NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
604645 | 2n56 | 26593 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 TRP 1 HT1 TRP 1 55.712 -8.675 -12.368 2 H2 TRP 1 HT2 TRP 1 57.002 -8.206 -11.369 3 H3 TRP 1 HT3 TRP 1 55.730 -7.125 -11.681 4 HA TRP 1 HA TRP 1 54.973 -7.821 -9.695 5 HB2 TRP 1 HB2 TRP 1 54.254 -10.165 -11.481 6 HB3 TRP 1 HB1 TRP 1 53.468 -9.777 -9.949 7 HD1 TRP 1 HD1 TRP 1 53.366 -8.994 -13.570 8 HE1 TRP 1 HE1 TRP 1 51.709 -7.074 -14.029 9 HE3 TRP 1 HE3 TRP 1 52.554 -7.369 -8.795 10 HZ2 TRP 1 HZ2 TRP 1 50.233 -5.108 -12.562 11 HZ3 TRP 1 HZ3 TRP 1 51.021 -5.473 -8.357 12 HH2 TRP 1 HH2 TRP 1 49.863 -4.337 -10.234 13 H ARG 2 HN ARG 2 57.456 -9.608 -11.091 14 HA ARG 2 HA ARG 2 57.682 -11.626 -9.017 15 HB2 ARG 2 HB2 ARG 2 59.417 -10.841 -11.362 16 HB3 ARG 2 HB1 ARG 2 59.880 -12.088 -10.205 17 HG2 ARG 2 HG2 ARG 2 57.848 -13.359 -10.716 18 HG3 ARG 2 HG1 ARG 2 57.317 -12.093 -11.826 19 HD2 ARG 2 HD2 ARG 2 59.295 -12.464 -13.228 20 HD3 ARG 2 HD1 ARG 2 59.878 -13.692 -12.110 21 HE ARG 2 HE ARG 2 57.243 -14.282 -13.080 22 HH11 ARG 2 HH11 ARG 2 60.507 -15.159 -13.057 23 HH12 ARG 2 HH12 ARG 2 60.442 -16.127 -14.493 24 HH21 ARG 2 HH21 ARG 2 57.196 -15.201 -15.281 25 HH22 ARG 2 HH22 ARG 2 58.565 -16.153 -15.749 26 H LEU 3 HN LEU 3 60.278 -11.759 -8.396 27 HA LEU 3 HA LEU 3 60.964 -9.151 -7.152 28 HB2 LEU 3 HB2 LEU 3 61.858 -10.504 -5.233 29 HB3 LEU 3 HB1 LEU 3 60.103 -10.534 -5.377 30 HG LEU 3 HG LEU 3 61.856 -12.648 -6.647 31 HD11 LEU 3 HD11 LEU 3 60.862 -12.455 -3.811 32 HD12 LEU 3 HD12 LEU 3 62.466 -12.887 -4.404 33 HD13 LEU 3 HD13 LEU 3 61.132 -14.025 -4.571 34 HD21 LEU 3 HD21 LEU 3 59.400 -13.772 -5.863 35 HD22 LEU 3 HD22 LEU 3 59.847 -13.283 -7.490 36 HD23 LEU 3 HD23 LEU 3 58.957 -12.173 -6.459 37 H GLU 4 HN GLU 4 62.020 -9.869 -9.598 38 HA GLU 4 HA GLU 4 64.532 -11.250 -9.269 39 HB2 GLU 4 HB2 GLU 4 64.954 -10.577 -11.593 40 HB3 GLU 4 HB1 GLU 4 63.334 -11.252 -11.435 41 HG2 GLU 4 HG2 GLU 4 62.423 -8.940 -11.251 42 HG3 GLU 4 HG1 GLU 4 64.045 -8.307 -11.524 43 H ILE 5 HN ILE 5 66.536 -10.344 -8.871 44 HA ILE 5 HA ILE 5 66.550 -7.595 -7.965 45 HB ILE 5 HB ILE 5 68.615 -8.044 -6.978 46 HG12 ILE 5 HG12 ILE 5 69.012 -10.273 -9.008 47 HG13 ILE 5 HG11 ILE 5 69.881 -8.736 -8.961 48 HG21 ILE 5 HG21 ILE 5 68.320 -10.056 -5.776 49 HG22 ILE 5 HG22 ILE 5 67.575 -10.876 -7.147 50 HG23 ILE 5 HG23 ILE 5 66.687 -9.629 -6.278 51 HD11 ILE 5 HD11 ILE 5 71.365 -10.199 -7.879 52 HD12 ILE 5 HD12 ILE 5 70.067 -11.051 -7.045 53 HD13 ILE 5 HD13 ILE 5 70.526 -9.425 -6.533 54 H LEU 6 HN LEU 6 66.855 -5.964 -9.269 55 HA LEU 6 HA LEU 6 67.611 -6.384 -11.998 56 HB2 LEU 6 HB2 LEU 6 67.100 -3.858 -10.437 57 HB3 LEU 6 HB1 LEU 6 67.358 -3.924 -12.175 58 HG LEU 6 HG LEU 6 65.389 -5.727 -12.073 59 HD11 LEU 6 HD11 LEU 6 65.106 -5.793 -9.665 60 HD12 LEU 6 HD12 LEU 6 63.698 -4.998 -10.357 61 HD13 LEU 6 HD13 LEU 6 64.959 -4.040 -9.589 62 HD21 LEU 6 HD21 LEU 6 63.774 -3.895 -12.477 63 HD22 LEU 6 HD22 LEU 6 65.299 -3.599 -13.313 64 HD23 LEU 6 HD23 LEU 6 64.930 -2.737 -11.820 65 H GLU 7 HN GLU 7 69.048 -4.095 -9.629 66 HA GLU 7 HA GLU 7 71.721 -4.891 -10.585 67 HB2 GLU 7 HB2 GLU 7 70.635 -2.075 -10.785 68 HB3 GLU 7 HB1 GLU 7 72.336 -2.498 -10.955 69 HG2 GLU 7 HG2 GLU 7 71.754 -4.003 -12.845 70 HG3 GLU 7 HG1 GLU 7 70.069 -3.513 -12.694 71 H LEU 8 HN LEU 8 73.335 -4.603 -9.154 72 HA LEU 8 HA LEU 8 72.727 -3.263 -6.577 73 HB2 LEU 8 HB2 LEU 8 74.227 -5.867 -6.995 74 HB3 LEU 8 HB1 LEU 8 74.100 -4.999 -5.466 75 HG LEU 8 HG LEU 8 71.466 -5.158 -6.023 76 HD11 LEU 8 HD11 LEU 8 72.525 -7.735 -7.207 77 HD12 LEU 8 HD12 LEU 8 72.032 -6.371 -8.205 78 HD13 LEU 8 HD13 LEU 8 70.857 -7.167 -7.163 79 HD21 LEU 8 HD21 LEU 8 71.380 -7.166 -4.607 80 HD22 LEU 8 HD22 LEU 8 72.595 -6.043 -3.998 81 HD23 LEU 8 HD23 LEU 8 73.091 -7.470 -4.909 82 H LEU 9 HN LEU 9 74.338 -1.930 -5.800 83 HA LEU 9 HA LEU 9 76.719 -1.618 -7.531 84 HB2 LEU 9 HB2 LEU 9 75.392 0.162 -5.484 85 HB3 LEU 9 HB1 LEU 9 77.044 0.464 -6.021 86 HG LEU 9 HG LEU 9 76.197 0.461 -8.397 87 HD11 LEU 9 HD11 LEU 9 73.565 0.234 -6.927 88 HD12 LEU 9 HD12 LEU 9 74.162 -0.756 -8.257 89 HD13 LEU 9 HD13 LEU 9 73.669 0.911 -8.552 90 HD21 LEU 9 HD21 LEU 9 76.597 2.582 -7.345 91 HD22 LEU 9 HD22 LEU 9 75.108 2.467 -6.405 92 HD23 LEU 9 HD23 LEU 9 75.033 2.706 -8.151 93 H LYS 10 HN LYS 10 78.300 -2.914 -6.951 94 HA LYS 10 HA LYS 10 78.957 -3.229 -4.079 95 HB2 LYS 10 HB2 LYS 10 78.898 -5.150 -6.366 96 HB3 LYS 10 HB1 LYS 10 80.182 -5.359 -5.178 97 HG2 LYS 10 HG2 LYS 10 78.260 -6.716 -4.552 98 HG3 LYS 10 HG1 LYS 10 78.482 -5.433 -3.380 99 HD2 LYS 10 HD2 LYS 10 76.699 -4.596 -5.563 100 HD3 LYS 10 HD1 LYS 10 76.095 -6.031 -4.751 101 HE2 LYS 10 HE2 LYS 10 77.051 -3.789 -3.000 102 HE3 LYS 10 HE1 LYS 10 75.524 -3.574 -3.847 103 HZ1 LYS 10 HZ1 LYS 10 75.842 -4.900 -1.519 104 HZ2 LYS 10 HZ2 LYS 10 75.810 -6.169 -2.648 105 HZ3 LYS 10 HZ3 LYS 10 74.518 -5.068 -2.565 106 H ASN 11 HN ASN 11 81.317 -3.963 -3.874 107 HA ASN 11 HA ASN 11 83.496 -3.366 -3.953 108 HB2 ASN 11 HB2 ASN 11 83.245 -4.218 -6.323 109 HB3 ASN 11 HB1 ASN 11 83.012 -2.543 -6.820 110 HD21 ASN 11 HD21 ASN 11 85.365 -4.579 -4.989 111 HD22 ASN 11 HD22 ASN 11 86.729 -3.698 -5.486 112 H ALA 12 HN ALA 12 83.908 -1.690 -2.703 113 HA ALA 12 HA ALA 12 83.846 0.988 -3.864 114 HB1 ALA 12 HB1 ALA 12 82.384 0.626 -1.264 115 HB2 ALA 12 HB2 ALA 12 81.550 0.456 -2.808 116 HB3 ALA 12 HB3 ALA 12 82.328 1.982 -2.389 117 H ALA 13 HN ALA 13 85.369 2.249 -3.171 118 HA ALA 13 HA ALA 13 86.801 1.653 -0.640 119 HB1 ALA 13 HB1 ALA 13 88.007 2.578 -3.272 120 HB2 ALA 13 HB2 ALA 13 88.185 0.968 -2.577 121 HB3 ALA 13 HB3 ALA 13 88.881 2.364 -1.755 122 H VAL 14 HN VAL 14 86.899 3.428 0.673 123 HA VAL 14 HA VAL 14 86.330 6.085 -0.533 124 HB VAL 14 HB VAL 14 85.053 6.541 1.644 125 HG11 VAL 14 HG11 VAL 14 83.009 5.568 0.733 126 HG12 VAL 14 HG12 VAL 14 83.948 4.435 -0.239 127 HG13 VAL 14 HG13 VAL 14 84.004 6.161 -0.596 128 HG21 VAL 14 HG21 VAL 14 85.883 4.561 2.880 129 HG22 VAL 14 HG22 VAL 14 85.101 3.507 1.705 130 HG23 VAL 14 HG23 VAL 14 84.126 4.543 2.746 131 H ARG 15 HN ARG 15 87.987 7.337 -0.322 132 HA ARG 15 HA ARG 15 89.934 7.036 1.794 133 HB2 ARG 15 HB2 ARG 15 91.073 8.945 0.780 134 HB3 ARG 15 HB1 ARG 15 90.605 7.796 -0.471 135 HG2 ARG 15 HG2 ARG 15 88.636 9.156 -1.013 136 HG3 ARG 15 HG1 ARG 15 89.050 10.300 0.264 137 HD2 ARG 15 HD2 ARG 15 91.221 10.734 -0.886 138 HD3 ARG 15 HD1 ARG 15 90.708 9.668 -2.190 139 HE ARG 15 HE ARG 15 88.703 11.588 -1.856 140 HH11 ARG 15 HH11 ARG 15 91.835 12.596 -1.654 141 HH12 ARG 15 HH12 ARG 15 91.890 13.439 -3.166 142 HH21 ARG 15 HH21 ARG 15 88.858 12.174 -4.283 143 HH22 ARG 15 HH22 ARG 15 90.200 13.204 -4.653 144 H ALA 16 HN ALA 16 90.567 9.119 3.057 145 HA ALA 16 HA ALA 16 88.499 9.759 4.817 146 HB1 ALA 16 HB1 ALA 16 89.982 11.412 5.744 147 HB2 ALA 16 HB2 ALA 16 90.910 11.495 4.246 148 HB3 ALA 16 HB3 ALA 16 90.965 10.038 5.237 149 H GLY 17 HN GLY 17 86.850 11.153 4.784 150 HA2 GLY 17 HA2 GLY 17 85.657 13.106 4.314 151 HA3 GLY 17 HA1 GLY 17 86.931 13.594 3.207 152 H ALA 18 HN ALA 18 86.244 10.501 2.392 153 HA ALA 18 HA ALA 18 84.729 11.325 0.052 154 HB1 ALA 18 HB1 ALA 18 84.997 8.976 -0.662 155 HB2 ALA 18 HB2 ALA 18 85.747 8.610 0.889 156 HB3 ALA 18 HB3 ALA 18 86.529 9.725 -0.224 157 H GLN 19 HN GLN 19 83.122 9.254 -0.573 158 HA GLN 19 HA GLN 19 81.234 8.855 1.650 159 HB2 GLN 19 HB2 GLN 19 80.552 10.922 0.452 160 HB3 GLN 19 HB1 GLN 19 80.451 10.003 -1.046 161 HG2 GLN 19 HG2 GLN 19 78.919 9.014 1.346 162 HG3 GLN 19 HG1 GLN 19 78.294 10.402 0.464 163 HE21 GLN 19 HE21 GLN 19 76.528 8.550 0.136 164 HE22 GLN 19 HE22 GLN 19 76.710 7.638 -1.285 165 H ALA 20 HN ALA 20 79.689 7.132 1.225 166 HA ALA 20 HA ALA 20 80.611 5.222 -0.864 167 HB1 ALA 20 HB1 ALA 20 81.015 4.592 1.574 168 HB2 ALA 20 HB2 ALA 20 80.110 3.424 0.610 169 HB3 ALA 20 HB3 ALA 20 79.262 4.485 1.734 170 H CYS 21 HN CYS 21 79.126 4.313 -2.178 171 HA CYS 21 HA CYS 21 76.269 4.998 -1.750 172 HB2 CYS 21 HB2 CYS 21 76.052 5.219 -4.187 173 HB3 CYS 21 HB1 CYS 21 77.213 6.377 -3.541 174 HG CYS 21 HG CYS 21 77.933 3.888 -5.256 175 H PHE 22 HN PHE 22 75.419 3.144 -1.112 176 HA PHE 22 HA PHE 22 75.770 0.724 -2.806 177 HB2 PHE 22 HB2 PHE 22 75.622 1.018 0.199 178 HB3 PHE 22 HB1 PHE 22 75.128 -0.484 -0.579 179 HD1 PHE 22 HD2 PHE 22 77.971 1.807 0.044 180 HD2 PHE 22 HD1 PHE 22 76.716 -1.950 -1.608 181 HE1 PHE 22 HE2 PHE 22 80.341 1.082 -0.112 182 HE2 PHE 22 HE1 PHE 22 79.081 -2.677 -1.764 183 HZ PHE 22 HZ PHE 22 80.893 -1.161 -1.014 184 H THR 23 HN THR 23 73.879 0.345 -3.868 185 HA THR 23 HA THR 23 71.367 0.558 -2.359 186 HB THR 23 HB THR 23 71.492 2.724 -3.452 187 HG1 THR 23 HG1 THR 23 69.481 1.665 -3.456 188 HG21 THR 23 HG21 THR 23 73.108 1.834 -5.254 189 HG22 THR 23 HG22 THR 23 71.905 3.018 -5.765 190 HG23 THR 23 HG23 THR 23 71.658 1.305 -6.110 191 H CYS 24 HN CYS 24 69.668 -0.766 -3.164 192 HA CYS 24 HA CYS 24 70.456 -2.598 -5.367 193 HB2 CYS 24 HB2 CYS 24 70.898 -3.793 -3.320 194 HB3 CYS 24 HB1 CYS 24 69.321 -3.350 -2.668 195 HG CYS 24 HG CYS 24 68.703 -4.752 -5.167 196 H THR 25 HN THR 25 69.067 -1.813 -6.876 197 HA THR 25 HA THR 25 66.273 -1.333 -6.268 198 HB THR 25 HB THR 25 67.628 -1.540 -8.971 199 HG1 THR 25 HG1 THR 25 67.108 0.924 -8.423 200 HG21 THR 25 HG21 THR 25 65.666 -0.137 -9.658 201 HG22 THR 25 HG22 THR 25 64.985 -0.386 -8.050 202 HG23 THR 25 HG23 THR 25 65.221 -1.759 -9.128 203 H LEU 26 HN LEU 26 64.929 -2.973 -5.948 204 HA LEU 26 HA LEU 26 65.398 -5.554 -7.316 205 HB2 LEU 26 HB2 LEU 26 63.717 -4.874 -4.895 206 HB3 LEU 26 HB1 LEU 26 63.952 -6.490 -5.558 207 HG LEU 26 HG LEU 26 66.200 -4.714 -4.547 208 HD11 LEU 26 HD11 LEU 26 66.183 -5.968 -2.529 209 HD12 LEU 26 HD12 LEU 26 65.122 -7.202 -3.209 210 HD13 LEU 26 HD13 LEU 26 64.483 -5.604 -2.827 211 HD21 LEU 26 HD21 LEU 26 66.048 -7.491 -5.695 212 HD22 LEU 26 HD22 LEU 26 67.318 -7.094 -4.540 213 HD23 LEU 26 HD23 LEU 26 67.200 -6.205 -6.058 214 H SER 27 HN SER 27 62.943 -6.674 -7.096 215 HA SER 27 HA SER 27 61.260 -5.003 -8.886 216 HB2 SER 27 HB2 SER 27 61.938 -7.919 -8.880 217 HB3 SER 27 HB1 SER 27 60.362 -7.413 -9.493 218 HG SER 27 HG SER 27 61.744 -5.788 -10.695 219 H GLU 28 HN GLU 28 61.546 -6.119 -5.798 220 HA GLU 28 HA GLU 28 58.664 -5.794 -5.312 221 HB2 GLU 28 HB2 GLU 28 59.041 -8.236 -5.548 222 HB3 GLU 28 HB1 GLU 28 60.252 -8.157 -4.269 223 HG2 GLU 28 HG2 GLU 28 58.160 -8.881 -3.286 224 HG3 GLU 28 HG1 GLU 28 58.472 -7.240 -2.734 225 H ALA 29 HN ALA 29 58.194 -4.902 -3.331 226 HA ALA 29 HA ALA 29 60.441 -3.725 -1.888 227 HB1 ALA 29 HB1 ALA 29 58.370 -2.414 -2.458 228 HB2 ALA 29 HB2 ALA 29 58.785 -2.400 -0.743 229 HB3 ALA 29 HB3 ALA 29 57.480 -3.434 -1.328 230 H VAL 30 HN VAL 30 61.113 -4.298 0.122 231 HA VAL 30 HA VAL 30 59.787 -6.625 1.375 232 HB VAL 30 HB VAL 30 62.652 -5.734 1.668 233 HG11 VAL 30 HG11 VAL 30 61.778 -7.100 3.520 234 HG12 VAL 30 HG12 VAL 30 62.928 -8.029 2.556 235 HG13 VAL 30 HG13 VAL 30 61.196 -8.302 2.367 236 HG21 VAL 30 HG21 VAL 30 63.044 -7.783 0.184 237 HG22 VAL 30 HG22 VAL 30 62.375 -6.367 -0.624 238 HG23 VAL 30 HG23 VAL 30 61.323 -7.715 -0.195 239 HA PRO 31 HA PRO 31 58.976 -3.732 4.738 240 HB2 PRO 31 HB2 PRO 31 58.691 -5.857 6.705 241 HB3 PRO 31 HB1 PRO 31 57.422 -4.883 5.957 242 HG2 PRO 31 HG2 PRO 31 58.017 -7.617 5.490 243 HG3 PRO 31 HG1 PRO 31 56.825 -6.613 4.654 244 HD2 PRO 31 HD2 PRO 31 59.390 -7.584 3.661 245 HD3 PRO 31 HD1 PRO 31 58.096 -6.737 2.782 246 H VAL 32 HN VAL 32 59.816 -4.818 7.486 247 HA VAL 32 HA VAL 32 62.756 -4.518 7.164 248 HB VAL 32 HB VAL 32 60.987 -3.490 9.403 249 HG11 VAL 32 HG11 VAL 32 63.090 -4.089 10.350 250 HG12 VAL 32 HG12 VAL 32 63.195 -2.356 10.043 251 HG13 VAL 32 HG13 VAL 32 63.976 -3.494 8.946 252 HG21 VAL 32 HG21 VAL 32 62.568 -2.032 7.260 253 HG22 VAL 32 HG22 VAL 32 61.664 -1.268 8.567 254 HG23 VAL 32 HG23 VAL 32 60.810 -2.173 7.315 255 H GLY 33 HN GLY 33 63.594 -6.444 7.505 256 HA2 GLY 33 HA2 GLY 33 64.007 -7.785 9.755 257 HA3 GLY 33 HA1 GLY 33 62.381 -8.344 9.368 258 H GLU 34 HN GLU 34 62.509 -8.511 6.590 259 HA GLU 34 HA GLU 34 64.049 -10.948 6.283 260 HB2 GLU 34 HB2 GLU 34 62.282 -9.405 4.368 261 HB3 GLU 34 HB1 GLU 34 63.061 -10.937 3.976 262 HG2 GLU 34 HG2 GLU 34 61.184 -10.535 6.323 263 HG3 GLU 34 HG1 GLU 34 60.691 -11.196 4.764 264 H ALA 35 HN ALA 35 64.606 -7.649 5.855 265 HA ALA 35 HA ALA 35 66.791 -8.096 3.898 266 HB1 ALA 35 HB1 ALA 35 65.526 -5.498 4.820 267 HB2 ALA 35 HB2 ALA 35 65.110 -6.341 3.328 268 HB3 ALA 35 HB3 ALA 35 66.732 -5.680 3.546 269 H SER 36 HN SER 36 68.887 -7.909 4.580 270 HA SER 36 HA SER 36 69.364 -6.797 7.294 271 HB2 SER 36 HB2 SER 36 70.573 -9.254 6.006 272 HB3 SER 36 HB1 SER 36 71.135 -8.538 7.516 273 HG SER 36 HG SER 36 69.428 -9.297 8.509 274 H TRP 37 HN TRP 37 70.622 -5.086 7.192 275 HA TRP 37 HA TRP 37 72.725 -4.933 5.096 276 HB2 TRP 37 HB2 TRP 37 70.927 -2.830 6.292 277 HB3 TRP 37 HB1 TRP 37 72.473 -2.389 5.577 278 HD1 TRP 37 HD1 TRP 37 68.952 -3.102 4.711 279 HE1 TRP 37 HE1 TRP 37 68.659 -3.194 2.150 280 HE3 TRP 37 HE3 TRP 37 73.847 -3.248 3.276 281 HZ2 TRP 37 HZ2 TRP 37 70.292 -3.313 -0.194 282 HZ3 TRP 37 HZ3 TRP 37 74.452 -3.352 0.874 283 HH2 TRP 37 HH2 TRP 37 72.682 -3.383 -0.860 284 H TYR 38 HN TYR 38 74.567 -5.518 6.121 285 HA TYR 38 HA TYR 38 75.428 -3.876 8.382 286 HB2 TYR 38 HB2 TYR 38 75.387 -6.894 8.607 287 HB3 TYR 38 HB1 TYR 38 76.076 -5.767 9.783 288 HD1 TYR 38 HD2 TYR 38 74.618 -4.279 11.098 289 HD2 TYR 38 HD1 TYR 38 72.989 -7.181 8.383 290 HE1 TYR 38 HE2 TYR 38 72.388 -4.012 12.151 291 HE2 TYR 38 HE1 TYR 38 70.759 -6.915 9.437 292 HH TYR 38 HH TYR 38 69.589 -5.920 11.024 293 H ILE 39 HN ILE 39 77.578 -3.799 8.707 294 HA ILE 39 HA ILE 39 79.317 -5.059 6.664 295 HB ILE 39 HB ILE 39 79.836 -2.467 8.160 296 HG12 ILE 39 HG12 ILE 39 79.338 -1.578 5.650 297 HG13 ILE 39 HG11 ILE 39 78.251 -2.965 5.651 298 HG21 ILE 39 HG21 ILE 39 81.637 -2.164 6.658 299 HG22 ILE 39 HG22 ILE 39 81.021 -3.378 5.539 300 HG23 ILE 39 HG23 ILE 39 81.711 -3.873 7.087 301 HD11 ILE 39 HD11 ILE 39 77.484 -1.987 7.986 302 HD12 ILE 39 HD12 ILE 39 76.867 -1.280 6.494 303 HD13 ILE 39 HD13 ILE 39 78.184 -0.495 7.364 304 H ASN 40 HN ASN 40 80.762 -6.602 7.694 305 HA ASN 40 HA ASN 40 80.673 -6.921 10.460 306 HB2 ASN 40 HB2 ASN 40 82.668 -7.827 8.380 307 HB3 ASN 40 HB1 ASN 40 82.734 -8.326 10.070 308 HD21 ASN 40 HD21 ASN 40 82.374 -10.544 8.878 309 HD22 ASN 40 HD22 ASN 40 80.759 -11.012 8.644 310 H GLY 41 HN GLY 41 81.613 -5.906 12.045 311 HA2 GLY 41 HA2 GLY 41 83.658 -5.021 13.053 312 HA3 GLY 41 HA1 GLY 41 83.982 -4.196 11.529 313 H ALA 42 HN ALA 42 80.730 -3.965 11.801 314 HA ALA 42 HA ALA 42 80.426 -1.986 13.838 315 HB1 ALA 42 HB1 ALA 42 80.121 -0.024 12.365 316 HB2 ALA 42 HB2 ALA 42 80.678 -0.983 10.994 317 HB3 ALA 42 HB3 ALA 42 81.779 -0.627 12.326 318 H ALA 43 HN ALA 43 78.536 -3.090 14.319 319 HA ALA 43 HA ALA 43 76.528 -3.686 12.366 320 HB1 ALA 43 HB1 ALA 43 76.454 -3.537 15.388 321 HB2 ALA 43 HB2 ALA 43 76.568 -4.988 14.393 322 HB3 ALA 43 HB3 ALA 43 75.081 -4.041 14.403 323 H VAL 44 HN VAL 44 74.906 -2.405 11.617 324 HA VAL 44 HA VAL 44 74.905 0.383 12.446 325 HB VAL 44 HB VAL 44 73.305 0.711 10.603 326 HG11 VAL 44 HG11 VAL 44 75.847 0.596 10.321 327 HG12 VAL 44 HG12 VAL 44 74.890 0.371 8.858 328 HG13 VAL 44 HG13 VAL 44 75.600 -1.024 9.669 329 HG21 VAL 44 HG21 VAL 44 71.995 -1.209 10.381 330 HG22 VAL 44 HG22 VAL 44 73.361 -2.298 10.601 331 HG23 VAL 44 HG23 VAL 44 73.143 -1.458 9.069 332 H GLN 45 HN GLN 45 73.909 0.810 14.280 333 HA GLN 45 HA GLN 45 71.517 -0.600 15.112 334 HB2 GLN 45 HB2 GLN 45 73.313 1.514 16.256 335 HB3 GLN 45 HB1 GLN 45 71.685 1.391 16.910 336 HG2 GLN 45 HG2 GLN 45 72.043 -0.961 17.462 337 HG3 GLN 45 HG1 GLN 45 73.630 -0.927 16.697 338 HE21 GLN 45 HE21 GLN 45 75.323 -0.588 18.126 339 HE22 GLN 45 HE22 GLN 45 75.196 0.204 19.623 340 HA PRO 46 HA PRO 46 68.425 1.929 13.297 341 HB2 PRO 46 HB2 PRO 46 67.125 2.815 15.734 342 HB3 PRO 46 HB1 PRO 46 66.605 1.533 14.628 343 HG2 PRO 46 HG2 PRO 46 67.980 1.311 17.208 344 HG3 PRO 46 HG1 PRO 46 67.089 0.080 16.301 345 HD2 PRO 46 HD2 PRO 46 69.831 0.083 16.587 346 HD3 PRO 46 HD1 PRO 46 68.987 -0.682 15.228 347 H ASP 47 HN ASP 47 70.336 3.156 15.962 348 HA ASP 47 HA ASP 47 69.960 5.948 15.059 349 HB2 ASP 47 HB2 ASP 47 70.944 4.747 17.649 350 HB3 ASP 47 HB1 ASP 47 71.057 6.465 17.278 351 H ASP 48 HN ASP 48 71.768 3.890 13.747 352 HA ASP 48 HA ASP 48 74.451 4.337 14.448 353 HB2 ASP 48 HB2 ASP 48 73.631 2.614 12.805 354 HB3 ASP 48 HB1 ASP 48 73.454 3.915 11.629 355 H SER 49 HN SER 49 75.817 5.980 14.169 356 HA SER 49 HA SER 49 74.784 8.462 13.022 357 HB2 SER 49 HB2 SER 49 76.579 9.544 14.151 358 HB3 SER 49 HB1 SER 49 75.945 8.335 15.262 359 HG SER 49 HG SER 49 77.648 6.991 14.714 360 H ASP 50 HN ASP 50 77.570 6.249 12.514 361 HA ASP 50 HA ASP 50 78.670 7.838 10.404 362 HB2 ASP 50 HB2 ASP 50 79.155 5.024 11.374 363 HB3 ASP 50 HB1 ASP 50 80.025 5.721 10.006 364 H TRP 51 HN TRP 51 76.597 4.948 10.517 365 HA TRP 51 HA TRP 51 76.377 5.028 7.560 366 HB2 TRP 51 HB2 TRP 51 75.813 2.854 9.575 367 HB3 TRP 51 HB1 TRP 51 75.274 2.763 7.901 368 HD1 TRP 51 HD1 TRP 51 77.085 2.372 6.034 369 HE1 TRP 51 HE1 TRP 51 79.526 1.558 6.124 370 HE3 TRP 51 HE3 TRP 51 78.033 2.975 11.014 371 HZ2 TRP 51 HZ2 TRP 51 81.600 1.203 8.052 372 HZ3 TRP 51 HZ3 TRP 51 80.251 2.389 11.948 373 HH2 TRP 51 HH2 TRP 51 82.035 1.505 10.473 374 H THR 52 HN THR 52 74.354 4.887 6.591 375 HA THR 52 HA THR 52 71.994 5.455 8.280 376 HB THR 52 HB THR 52 72.778 6.915 5.749 377 HG1 THR 52 HG1 THR 52 73.776 7.557 7.737 378 HG21 THR 52 HG21 THR 52 70.279 7.086 7.451 379 HG22 THR 52 HG22 THR 52 70.367 6.520 5.783 380 HG23 THR 52 HG23 THR 52 70.690 8.212 6.158 381 H VAL 53 HN VAL 53 70.254 4.223 7.740 382 HA VAL 53 HA VAL 53 70.295 2.802 5.139 383 HB VAL 53 HB VAL 53 71.001 1.153 6.724 384 HG11 VAL 53 HG11 VAL 53 68.650 1.988 8.453 385 HG12 VAL 53 HG12 VAL 53 70.327 2.443 8.754 386 HG13 VAL 53 HG13 VAL 53 69.846 0.749 8.835 387 HG21 VAL 53 HG21 VAL 53 69.322 -0.479 6.447 388 HG22 VAL 53 HG22 VAL 53 68.994 0.655 5.139 389 HG23 VAL 53 HG23 VAL 53 68.015 0.695 6.606 390 H THR 54 HN THR 54 68.402 2.664 4.106 391 HA THR 54 HA THR 54 65.902 3.351 5.466 392 HB THR 54 HB THR 54 65.377 5.185 4.140 393 HG1 THR 54 HG1 THR 54 65.814 4.317 2.145 394 HG21 THR 54 HG21 THR 54 68.388 5.389 4.309 395 HG22 THR 54 HG22 THR 54 67.300 5.660 5.671 396 HG23 THR 54 HG23 THR 54 67.237 6.723 4.267 397 H ALA 55 HN ALA 55 64.021 2.819 4.173 398 HA ALA 55 HA ALA 55 64.501 1.148 1.799 399 HB1 ALA 55 HB1 ALA 55 63.009 0.200 4.259 400 HB2 ALA 55 HB2 ALA 55 64.549 -0.427 3.670 401 HB3 ALA 55 HB3 ALA 55 63.082 -0.653 2.717 402 H ASP 56 HN ASP 56 63.287 2.120 0.333 403 HA ASP 56 HA ASP 56 60.476 2.786 0.996 404 HB2 ASP 56 HB2 ASP 56 61.883 4.842 0.839 405 HB3 ASP 56 HB1 ASP 56 62.311 4.383 -0.807 406 H GLY 57 HN GLY 57 59.464 1.130 -0.008 407 HA2 GLY 57 HA2 GLY 57 58.531 -0.024 -1.773 408 HA3 GLY 57 HA1 GLY 57 59.337 1.101 -2.861 409 H SER 58 HN SER 58 60.343 -0.155 -4.316 410 HA SER 58 HA SER 58 61.724 -2.601 -3.497 411 HB2 SER 58 HB2 SER 58 60.229 -2.366 -5.571 412 HB3 SER 58 HB1 SER 58 61.564 -1.471 -6.287 413 HG SER 58 HG SER 58 61.313 -4.007 -6.325 414 H HIS 59 HN HIS 59 62.692 0.265 -2.948 415 HA HIS 59 HA HIS 59 65.420 -0.065 -4.098 416 HB2 HIS 59 HB2 HIS 59 63.868 2.478 -3.565 417 HB3 HIS 59 HB1 HIS 59 65.594 2.436 -3.921 418 HD1 HIS 59 HD1 HIS 59 62.274 1.442 -5.482 419 HD2 HIS 59 HD2 HIS 59 66.195 2.266 -6.630 420 HE1 HIS 59 HE1 HIS 59 62.285 1.482 -8.015 421 H HIS 60 HN HIS 60 66.960 -0.396 -2.614 422 HA HIS 60 HA HIS 60 66.467 0.502 0.186 423 HB2 HIS 60 HB2 HIS 60 68.265 -1.723 -0.836 424 HB3 HIS 60 HB1 HIS 60 68.068 -1.252 0.850 425 HD1 HIS 60 HD1 HIS 60 67.324 -4.108 -0.046 426 HD2 HIS 60 HD2 HIS 60 64.597 -0.962 0.131 427 HE1 HIS 60 HE1 HIS 60 65.034 -5.160 0.175 428 H ALA 61 HN ALA 61 67.688 2.294 0.716 429 HA ALA 61 HA ALA 61 70.238 2.675 -0.765 430 HB1 ALA 61 HB1 ALA 61 68.434 4.719 0.549 431 HB2 ALA 61 HB2 ALA 61 68.557 4.415 -1.183 432 HB3 ALA 61 HB3 ALA 61 69.938 5.065 -0.302 433 H LEU 62 HN LEU 62 72.046 2.731 0.305 434 HA LEU 62 HA LEU 62 72.134 3.278 3.185 435 HB2 LEU 62 HB2 LEU 62 72.052 0.808 2.882 436 HB3 LEU 62 HB1 LEU 62 73.494 0.902 1.879 437 HG LEU 62 HG LEU 62 73.662 2.195 4.586 438 HD11 LEU 62 HD11 LEU 62 74.233 -0.017 5.624 439 HD12 LEU 62 HD12 LEU 62 73.606 -0.806 4.177 440 HD13 LEU 62 HD13 LEU 62 72.528 0.144 5.198 441 HD21 LEU 62 HD21 LEU 62 75.930 1.063 4.493 442 HD22 LEU 62 HD22 LEU 62 75.652 2.236 3.213 443 HD23 LEU 62 HD23 LEU 62 75.528 0.511 2.870 444 H LEU 63 HN LEU 63 73.808 4.625 3.685 445 HA LEU 63 HA LEU 63 75.990 4.924 1.692 446 HB2 LEU 63 HB2 LEU 63 75.233 7.385 3.212 447 HB3 LEU 63 HB1 LEU 63 75.766 7.196 1.542 448 HG LEU 63 HG LEU 63 73.397 6.044 1.219 449 HD11 LEU 63 HD11 LEU 63 71.687 7.081 2.681 450 HD12 LEU 63 HD12 LEU 63 72.966 7.833 3.632 451 HD13 LEU 63 HD13 LEU 63 72.792 6.081 3.619 452 HD21 LEU 63 HD21 LEU 63 74.048 8.090 0.082 453 HD22 LEU 63 HD22 LEU 63 73.852 9.020 1.568 454 HD23 LEU 63 HD23 LEU 63 72.440 8.327 0.769 455 H LEU 64 HN LEU 64 77.520 6.637 2.741 456 HA LEU 64 HA LEU 64 78.140 6.040 5.535 457 HB2 LEU 64 HB2 LEU 64 79.492 4.428 4.056 458 HB3 LEU 64 HB1 LEU 64 80.284 5.865 3.403 459 HG LEU 64 HG LEU 64 80.665 6.456 5.962 460 HD11 LEU 64 HD11 LEU 64 80.821 4.615 7.443 461 HD12 LEU 64 HD12 LEU 64 80.692 3.440 6.133 462 HD13 LEU 64 HD13 LEU 64 79.285 4.377 6.617 463 HD21 LEU 64 HD21 LEU 64 82.219 4.387 4.386 464 HD22 LEU 64 HD22 LEU 64 82.811 5.112 5.881 465 HD23 LEU 64 HD23 LEU 64 82.516 6.123 4.467 466 H ARG 65 HN ARG 65 78.360 7.984 6.436 467 HA ARG 65 HA ARG 65 78.523 10.336 4.911 468 HB2 ARG 65 HB2 ARG 65 79.252 9.865 7.825 469 HB3 ARG 65 HB1 ARG 65 79.010 11.447 7.082 470 HG2 ARG 65 HG2 ARG 65 76.696 10.868 6.531 471 HG3 ARG 65 HG1 ARG 65 76.921 9.258 7.220 472 HD2 ARG 65 HD2 ARG 65 77.421 10.274 9.415 473 HD3 ARG 65 HD1 ARG 65 77.167 11.876 8.729 474 HE ARG 65 HE ARG 65 74.901 10.141 8.347 475 HH11 ARG 65 HH11 ARG 65 76.135 12.918 9.833 476 HH12 ARG 65 HH12 ARG 65 74.914 13.024 11.058 477 HH21 ARG 65 HH21 ARG 65 73.485 9.959 10.250 478 HH22 ARG 65 HH22 ARG 65 73.401 11.339 11.294 479 H SER 66 HN SER 66 80.775 11.351 6.811 480 HA SER 66 HA SER 66 82.892 11.146 4.917 481 HB2 SER 66 HB2 SER 66 84.061 12.612 6.308 482 HB3 SER 66 HB1 SER 66 82.383 13.004 6.684 483 HG SER 66 HG SER 66 82.785 11.163 8.319 484 H ALA 67 HN ALA 67 84.015 9.339 4.597 485 HA ALA 67 HA ALA 67 84.178 7.197 6.440 486 HB1 ALA 67 HB1 ALA 67 86.161 7.631 4.214 487 HB2 ALA 67 HB2 ALA 67 84.492 7.189 3.867 488 HB3 ALA 67 HB3 ALA 67 85.504 6.115 4.832 489 H GLN 68 HN GLN 68 85.681 6.639 7.923 490 HA GLN 68 HA GLN 68 88.055 8.378 8.270 491 HB2 GLN 68 HB2 GLN 68 86.114 7.383 10.360 492 HB3 GLN 68 HB1 GLN 68 87.717 7.999 10.760 493 HG2 GLN 68 HG2 GLN 68 85.741 9.578 9.104 494 HG3 GLN 68 HG1 GLN 68 85.808 9.697 10.861 495 HE21 GLN 68 HE21 GLN 68 86.715 11.495 8.374 496 HE22 GLN 68 HE22 GLN 68 88.234 12.052 8.888 497 HA PRO 69 HA PRO 69 90.251 4.512 8.143 498 HB2 PRO 69 HB2 PRO 69 92.179 5.203 10.192 499 HB3 PRO 69 HB1 PRO 69 92.400 5.219 8.441 500 HG2 PRO 69 HG2 PRO 69 92.017 7.455 10.248 501 HG3 PRO 69 HG1 PRO 69 92.470 7.472 8.538 502 HD2 PRO 69 HD2 PRO 69 89.976 8.271 9.606 503 HD3 PRO 69 HD1 PRO 69 90.334 7.981 7.893 504 H HIS 70 HN HIS 70 88.397 3.431 9.108 505 HA HIS 70 HA HIS 70 88.961 1.836 11.322 506 HB2 HIS 70 HB2 HIS 70 88.720 3.874 12.701 507 HB3 HIS 70 HB1 HIS 70 87.111 4.132 12.038 508 HD1 HIS 70 HD1 HIS 70 89.008 1.333 13.818 509 HD2 HIS 70 HD2 HIS 70 85.164 2.937 13.588 510 HE1 HIS 70 HE1 HIS 70 87.592 0.041 15.471 511 H HIS 71 HN HIS 71 86.667 3.286 9.165 512 HA HIS 71 HA HIS 71 84.458 1.580 9.809 513 HB2 HIS 71 HB2 HIS 71 85.023 3.363 7.439 514 HB3 HIS 71 HB1 HIS 71 83.505 2.505 7.689 515 HD1 HIS 71 HD1 HIS 71 83.152 5.440 7.670 516 HD2 HIS 71 HD2 HIS 71 84.294 3.458 11.156 517 HE1 HIS 71 HE1 HIS 71 82.531 6.960 9.597 518 H ALA 72 HN ALA 72 87.342 0.818 8.325 519 HA ALA 72 HA ALA 72 86.574 -0.637 6.059 520 HB1 ALA 72 HB1 ALA 72 88.929 -0.131 6.692 521 HB2 ALA 72 HB2 ALA 72 88.667 -1.828 6.285 522 HB3 ALA 72 HB3 ALA 72 88.809 -1.336 7.974 523 H GLY 73 HN GLY 73 85.975 -2.738 5.713 524 HA2 GLY 73 HA2 GLY 73 85.938 -4.889 7.433 525 HA3 GLY 73 HA1 GLY 73 84.440 -4.023 7.762 526 H GLU 74 HN GLU 74 83.911 -6.411 6.889 527 HA GLU 74 HA GLU 74 83.810 -6.511 3.967 528 HB2 GLU 74 HB2 GLU 74 82.947 -8.426 6.136 529 HB3 GLU 74 HB1 GLU 74 82.590 -8.702 4.431 530 HG2 GLU 74 HG2 GLU 74 84.960 -8.646 3.882 531 HG3 GLU 74 HG1 GLU 74 85.369 -8.248 5.553 532 H VAL 75 HN VAL 75 81.785 -6.824 2.815 533 HA VAL 75 HA VAL 75 79.473 -5.496 4.140 534 HB VAL 75 HB VAL 75 80.532 -5.289 1.319 535 HG11 VAL 75 HG11 VAL 75 78.506 -3.762 0.980 536 HG12 VAL 75 HG12 VAL 75 77.825 -4.512 2.424 537 HG13 VAL 75 HG13 VAL 75 78.174 -5.494 1.000 538 HG21 VAL 75 HG21 VAL 75 80.514 -2.878 1.852 539 HG22 VAL 75 HG22 VAL 75 81.517 -3.783 2.988 540 HG23 VAL 75 HG23 VAL 75 79.905 -3.247 3.466 541 H THR 76 HN THR 76 77.875 -6.905 4.464 542 HA THR 76 HA THR 76 77.272 -8.899 2.351 543 HB THR 76 HB THR 76 77.161 -9.378 5.341 544 HG1 THR 76 HG1 THR 76 79.023 -9.887 3.335 545 HG21 THR 76 HG21 THR 76 76.839 -11.777 4.460 546 HG22 THR 76 HG22 THR 76 76.454 -11.027 2.911 547 HG23 THR 76 HG23 THR 76 75.459 -10.686 4.328 548 H PHE 77 HN PHE 77 75.199 -9.015 1.760 549 HA PHE 77 HA PHE 77 73.083 -7.947 3.497 550 HB2 PHE 77 HB2 PHE 77 73.421 -6.015 2.224 551 HB3 PHE 77 HB1 PHE 77 73.808 -6.916 0.767 552 HD1 PHE 77 HD1 PHE 77 71.100 -5.712 2.960 553 HD2 PHE 77 HD2 PHE 77 72.039 -7.791 -0.672 554 HE1 PHE 77 HE1 PHE 77 68.750 -5.472 2.220 555 HE2 PHE 77 HE2 PHE 77 69.685 -7.556 -1.414 556 HZ PHE 77 HZ PHE 77 68.043 -6.390 0.030 557 H ALA 78 HN ALA 78 71.134 -8.951 3.260 558 HA ALA 78 HA ALA 78 70.825 -10.920 1.085 559 HB1 ALA 78 HB1 ALA 78 70.044 -12.599 2.873 560 HB2 ALA 78 HB2 ALA 78 70.897 -11.572 4.027 561 HB3 ALA 78 HB3 ALA 78 71.782 -12.340 2.708 562 H CYS 79 HN CYS 79 68.719 -11.406 0.570 563 HA CYS 79 HA CYS 79 66.528 -10.468 2.214 564 HB2 CYS 79 HB2 CYS 79 67.612 -8.617 0.535 565 HB3 CYS 79 HB1 CYS 79 66.379 -9.307 -0.513 566 HG CYS 79 HG CYS 79 64.589 -8.317 0.925 567 H ARG 80 HN ARG 80 64.712 -10.353 -0.067 568 HA ARG 80 HA ARG 80 63.864 -13.007 -0.173 569 HB2 ARG 80 HB2 ARG 80 63.389 -10.718 -2.094 570 HB3 ARG 80 HB1 ARG 80 62.539 -12.260 -2.173 571 HG2 ARG 80 HG2 ARG 80 61.685 -11.931 0.107 572 HG3 ARG 80 HG1 ARG 80 62.557 -10.400 0.219 573 HD2 ARG 80 HD2 ARG 80 61.269 -9.531 -1.701 574 HD3 ARG 80 HD1 ARG 80 60.385 -11.051 -1.793 575 HE ARG 80 HE ARG 80 60.036 -8.953 0.207 576 HH11 ARG 80 HH11 ARG 80 58.535 -11.428 -1.450 577 HH12 ARG 80 HH12 ARG 80 57.571 -11.997 -0.129 578 HH21 ARG 80 HH21 ARG 80 59.187 -10.038 2.236 579 HH22 ARG 80 HH22 ARG 80 57.944 -11.211 1.962 580 H ASP 81 HN ASP 81 65.701 -14.297 -0.606 581 HA ASP 81 HA ASP 81 67.172 -15.475 -1.912 582 HB2 ASP 81 HB2 ASP 81 65.000 -15.921 -3.116 583 HB3 ASP 81 HB1 ASP 81 65.420 -14.611 -4.219 584 H ALA 82 HN ALA 82 67.227 -12.334 -1.741 585 HA ALA 82 HA ALA 82 68.922 -11.755 -4.074 586 HB1 ALA 82 HB1 ALA 82 67.101 -10.173 -3.162 587 HB2 ALA 82 HB2 ALA 82 68.679 -9.475 -3.526 588 HB3 ALA 82 HB3 ALA 82 68.237 -9.830 -1.855 589 H VAL 83 HN VAL 83 70.769 -12.978 -3.585 590 HA VAL 83 HA VAL 83 72.163 -12.516 -1.058 591 HB VAL 83 HB VAL 83 72.128 -14.779 -2.015 592 HG11 VAL 83 HG11 VAL 83 73.190 -15.280 -4.119 593 HG12 VAL 83 HG12 VAL 83 73.779 -13.624 -4.278 594 HG13 VAL 83 HG13 VAL 83 72.052 -13.964 -4.409 595 HG21 VAL 83 HG21 VAL 83 74.913 -13.611 -2.252 596 HG22 VAL 83 HG22 VAL 83 74.472 -15.245 -1.751 597 HG23 VAL 83 HG23 VAL 83 74.111 -13.873 -0.703 598 H ALA 84 HN ALA 84 73.937 -11.249 -0.798 599 HA ALA 84 HA ALA 84 75.325 -10.164 -3.137 600 HB1 ALA 84 HB1 ALA 84 73.312 -8.673 -2.478 601 HB2 ALA 84 HB2 ALA 84 74.885 -7.902 -2.700 602 HB3 ALA 84 HB3 ALA 84 74.289 -8.238 -1.076 603 H SER 85 HN SER 85 77.213 -8.865 -2.517 604 HA SER 85 HA SER 85 78.265 -9.065 0.153 605 HB2 SER 85 HB2 SER 85 80.189 -10.458 -0.351 606 HB3 SER 85 HB1 SER 85 78.716 -11.361 -0.700 607 HG SER 85 HG SER 85 80.583 -11.187 -2.329 608 H ALA 86 HN ALA 86 80.771 -8.416 -0.045 609 HA ALA 86 HA ALA 86 81.741 -6.988 -2.197 610 HB1 ALA 86 HB1 ALA 86 79.612 -5.516 -0.868 611 HB2 ALA 86 HB2 ALA 86 80.468 -5.127 -2.358 612 HB3 ALA 86 HB3 ALA 86 81.121 -4.605 -0.815 613 H ARG 87 HN ARG 87 83.245 -5.074 -1.428 614 HA ARG 87 HA ARG 87 84.554 -5.791 1.123 615 HB2 ARG 87 HB2 ARG 87 85.943 -5.349 -1.536 616 HB3 ARG 87 HB1 ARG 87 86.751 -5.575 0.013 617 HG2 ARG 87 HG2 ARG 87 84.816 -7.628 -1.064 618 HG3 ARG 87 HG1 ARG 87 86.513 -7.638 -1.529 619 HD2 ARG 87 HD2 ARG 87 87.110 -7.691 0.918 620 HD3 ARG 87 HD1 ARG 87 85.398 -7.890 1.280 621 HE ARG 87 HE ARG 87 87.094 -9.844 -0.152 622 HH11 ARG 87 HH21 ARG 87 85.776 -10.195 2.631 623 HH12 ARG 87 HH22 ARG 87 84.490 -11.286 2.238 624 HH21 ARG 87 HH11 ARG 87 84.717 -10.731 -1.181 625 HH22 ARG 87 HH12 ARG 87 83.880 -11.582 0.076 626 H LEU 88 HN LEU 88 84.317 -4.022 2.300 627 HA LEU 88 HA LEU 88 84.530 -1.361 1.039 628 HB2 LEU 88 HB2 LEU 88 82.499 -1.768 2.338 629 HB3 LEU 88 HB1 LEU 88 83.462 -2.218 3.741 630 HG LEU 88 HG LEU 88 84.387 0.048 3.863 631 HD11 LEU 88 HD11 LEU 88 82.854 0.392 1.290 632 HD12 LEU 88 HD12 LEU 88 84.507 0.875 1.672 633 HD13 LEU 88 HD13 LEU 88 83.152 1.785 2.331 634 HD21 LEU 88 HD21 LEU 88 81.376 -0.192 3.681 635 HD22 LEU 88 HD22 LEU 88 82.168 1.270 4.268 636 HD23 LEU 88 HD23 LEU 88 82.383 -0.254 5.127 637 H THR 89 HN THR 89 86.303 -0.138 1.369 638 HA THR 89 HA THR 89 87.955 -0.611 3.747 639 HB THR 89 HB THR 89 88.947 -2.061 2.063 640 HG1 THR 89 HG1 THR 89 90.824 -1.382 2.675 641 HG21 THR 89 HG21 THR 89 89.026 0.446 0.368 642 HG22 THR 89 HG22 THR 89 88.060 -0.997 0.059 643 HG23 THR 89 HG23 THR 89 89.819 -1.074 -0.046 644 H VAL 90 HN VAL 90 89.193 1.128 4.403 645 HA VAL 90 HA VAL 90 88.752 3.650 2.904 646 HB VAL 90 HB VAL 90 87.372 3.797 4.830 647 HG11 VAL 90 HG11 VAL 90 88.072 1.984 6.184 648 HG12 VAL 90 HG12 VAL 90 88.437 3.417 7.144 649 HG13 VAL 90 HG13 VAL 90 89.727 2.583 6.280 650 HG21 VAL 90 HG21 VAL 90 88.279 5.686 5.949 651 HG22 VAL 90 HG22 VAL 90 89.039 5.707 4.358 652 HG23 VAL 90 HG23 VAL 90 89.934 5.110 5.755 653 H LEU 91 HN LEU 91 90.493 4.825 2.436 654 HA LEU 91 HA LEU 91 93.116 3.798 3.194 655 HB2 LEU 91 HB2 LEU 91 92.142 5.878 1.246 656 HB3 LEU 91 HB1 LEU 91 93.849 5.762 1.654 657 HG LEU 91 HG LEU 91 93.094 4.460 -0.411 658 HD11 LEU 91 HD11 LEU 91 94.242 2.549 1.613 659 HD12 LEU 91 HD12 LEU 91 95.166 3.966 1.124 660 HD13 LEU 91 HD13 LEU 91 94.674 2.778 -0.078 661 HD21 LEU 91 HD21 LEU 91 91.977 2.520 1.623 662 HD22 LEU 91 HD22 LEU 91 91.873 2.425 -0.132 663 HD23 LEU 91 HD23 LEU 91 90.966 3.661 0.737 664 H GLY 92 HN GLY 92 94.453 4.644 4.638 665 HA2 GLY 92 HA2 GLY 92 93.758 7.251 5.894 666 HA3 GLY 92 HA1 GLY 92 94.421 5.882 6.786 667 H LEU 93 HN LEU 93 95.676 6.192 3.653 668 HA LEU 93 HA LEU 93 98.239 7.191 4.710 669 HB2 LEU 93 HB2 LEU 93 97.714 5.877 2.052 670 HB3 LEU 93 HB1 LEU 93 99.263 6.104 2.862 671 HG LEU 93 HG LEU 93 96.980 4.370 3.850 672 HD11 LEU 93 HD11 LEU 93 99.703 3.692 2.694 673 HD12 LEU 93 HD12 LEU 93 98.140 3.388 1.938 674 HD13 LEU 93 HD13 LEU 93 98.593 2.521 3.405 675 HD21 LEU 93 HD21 LEU 93 98.884 3.613 5.457 676 HD22 LEU 93 HD22 LEU 93 98.077 5.141 5.800 677 HD23 LEU 93 HD23 LEU 93 99.659 5.135 5.022 678 HA PRO 94 HA PRO 94 96.978 10.835 2.226 679 HB2 PRO 94 HB2 PRO 94 99.168 12.362 3.358 680 HB3 PRO 94 HB1 PRO 94 97.436 12.541 3.667 681 HG2 PRO 94 HG2 PRO 94 99.355 11.572 5.469 682 HG3 PRO 94 HG1 PRO 94 97.598 11.479 5.650 683 HD2 PRO 94 HD2 PRO 94 99.508 9.337 4.925 684 HD3 PRO 94 HD1 PRO 94 97.857 9.216 5.569 685 H ASP 95 HN ASP 95 99.034 8.633 1.636 686 HA ASP 95 HA ASP 95 101.125 10.022 0.169 687 HB2 ASP 95 HB2 ASP 95 100.413 7.095 0.438 688 HB3 ASP 95 HB1 ASP 95 101.771 7.692 -0.516 689 H GLY 96 HN GLY 96 97.934 9.470 -0.414 690 HA2 GLY 96 HA2 GLY 96 98.098 8.654 -3.188 691 HA3 GLY 96 HA1 GLY 96 96.644 9.147 -2.325 692 H LEU 97 HN LEU 97 99.098 10.102 -4.493 693 HA LEU 97 HA LEU 97 98.602 12.967 -4.225 694 HB2 LEU 97 HB2 LEU 97 100.419 11.286 -5.951 695 HB3 LEU 97 HB1 LEU 97 100.181 13.002 -6.274 696 HG LEU 97 HG LEU 97 100.835 13.468 -3.881 697 HD11 LEU 97 HD11 LEU 97 102.188 11.550 -2.831 698 HD12 LEU 97 HD12 LEU 97 101.362 10.491 -3.972 699 HD13 LEU 97 HD13 LEU 97 100.433 11.401 -2.780 700 HD21 LEU 97 HD21 LEU 97 103.276 13.003 -4.277 701 HD22 LEU 97 HD22 LEU 97 102.471 13.767 -5.650 702 HD23 LEU 97 HD23 LEU 97 102.815 12.037 -5.681 703 H GLU 98 HN GLU 98 97.492 14.228 -5.667 704 HA GLU 98 HA GLU 98 96.153 12.900 -7.954 705 HB2 GLU 98 HB2 GLU 98 94.581 13.047 -6.034 706 HB3 GLU 98 HB1 GLU 98 94.813 14.796 -6.006 707 HG2 GLU 98 HG2 GLU 98 93.971 14.959 -8.310 708 HG3 GLU 98 HG1 GLU 98 93.780 13.208 -8.373 709 H HIS 99 HN HIS 99 95.688 14.270 -9.712 710 HA HIS 99 HA HIS 99 97.439 16.581 -9.924 711 HB2 HIS 99 HB2 HIS 99 95.541 15.295 -11.902 712 HB3 HIS 99 HB1 HIS 99 96.632 16.629 -12.277 713 HD1 HIS 99 HD1 HIS 99 99.237 16.106 -12.077 714 HD2 HIS 99 HD2 HIS 99 96.751 12.770 -11.869 715 HE1 HIS 99 HE1 HIS 99 100.722 14.085 -12.422 716 H HIS 100 HN HIS 100 96.803 18.539 -9.286 717 HA HIS 100 HA HIS 100 93.977 19.174 -8.974 718 HB2 HIS 100 HB2 HIS 100 95.545 19.877 -7.234 719 HB3 HIS 100 HB1 HIS 100 96.466 20.806 -8.417 720 HD1 HIS 100 HD1 HIS 100 95.397 23.000 -9.316 721 HD2 HIS 100 HD2 HIS 100 93.079 21.061 -6.446 722 HE1 HIS 100 HE1 HIS 100 93.598 24.642 -8.621 723 H HIS 101 HN HIS 101 96.262 19.378 -11.437 724 HA HIS 101 HA HIS 101 95.085 21.792 -12.654 725 HB2 HIS 101 HB2 HIS 101 97.440 20.081 -13.489 726 HB3 HIS 101 HB1 HIS 101 96.918 21.566 -14.285 727 HD1 HIS 101 HD1 HIS 101 96.858 23.753 -12.614 728 HD2 HIS 101 HD2 HIS 101 99.182 20.519 -11.380 729 HE1 HIS 101 HE1 HIS 101 98.447 24.640 -10.850 730 H HIS 102 HN HIS 102 93.266 21.422 -13.766 731 HA HIS 102 HA HIS 102 92.539 18.907 -14.861 732 HB2 HIS 102 HB2 HIS 102 90.890 20.637 -14.222 733 HB3 HIS 102 HB1 HIS 102 91.459 21.650 -15.549 734 HD1 HIS 102 HD1 HIS 102 90.258 18.037 -15.161 735 HD2 HIS 102 HD2 HIS 102 89.948 21.239 -17.814 736 HE1 HIS 102 HE1 HIS 102 88.760 17.260 -17.049 737 H HIS 103 HN HIS 103 93.887 21.859 -16.306 738 HA HIS 103 HA HIS 103 94.928 20.277 -18.538 739 HB2 HIS 103 HB2 HIS 103 92.704 20.972 -19.321 740 HB3 HIS 103 HB1 HIS 103 93.098 22.653 -18.963 741 HD1 HIS 103 HD1 HIS 103 94.308 19.789 -21.158 742 HD2 HIS 103 HD2 HIS 103 94.486 23.949 -20.997 743 HE1 HIS 103 HE1 HIS 103 95.415 20.540 -23.306 744 H HIS 104 HN HIS 104 96.322 21.648 -19.970 745 HA HIS 104 HA HIS 104 97.545 23.934 -18.535 746 HB2 HIS 104 HB2 HIS 104 98.985 21.603 -19.824 747 HB3 HIS 104 HB1 HIS 104 99.771 23.076 -19.251 748 HD1 HIS 104 HD1 HIS 104 99.485 23.589 -16.616 749 HD2 HIS 104 HD2 HIS 104 98.485 19.724 -17.819 750 HE1 HIS 104 HE1 HIS 104 99.416 22.180 -14.514 Start of MODEL 2 1 H1 TRP 1 HT1 TRP 1 58.491 -6.798 -13.319 2 H2 TRP 1 HT2 TRP 1 59.190 -8.344 -13.236 3 H3 TRP 1 HT3 TRP 1 59.119 -7.366 -11.848 4 HA TRP 1 HA TRP 1 56.642 -7.433 -12.041 5 HB2 TRP 1 HB2 TRP 1 57.271 -9.754 -13.887 6 HB3 TRP 1 HB1 TRP 1 55.673 -9.158 -13.432 7 HD1 TRP 1 HD1 TRP 1 55.218 -6.477 -14.158 8 HE1 TRP 1 HE1 TRP 1 55.865 -5.309 -16.365 9 HE3 TRP 1 HE3 TRP 1 58.831 -9.679 -15.825 10 HZ2 TRP 1 HZ2 TRP 1 57.675 -5.688 -18.550 11 HZ3 TRP 1 HZ3 TRP 1 59.996 -9.252 -17.969 12 HH2 TRP 1 HH2 TRP 1 59.424 -7.264 -19.332 13 H ARG 2 HN ARG 2 59.140 -9.972 -12.103 14 HA ARG 2 HA ARG 2 57.861 -11.327 -9.819 15 HB2 ARG 2 HB2 ARG 2 60.180 -12.130 -11.589 16 HB3 ARG 2 HB1 ARG 2 59.613 -13.068 -10.207 17 HG2 ARG 2 HG2 ARG 2 57.373 -13.223 -11.235 18 HG3 ARG 2 HG1 ARG 2 57.952 -12.305 -12.627 19 HD2 ARG 2 HD2 ARG 2 59.132 -14.940 -11.707 20 HD3 ARG 2 HD1 ARG 2 57.961 -14.774 -13.011 21 HE ARG 2 HE ARG 2 60.130 -13.050 -13.533 22 HH11 ARG 2 HH21 ARG 2 59.538 -16.436 -13.131 23 HH12 ARG 2 HH22 ARG 2 60.652 -16.916 -14.369 24 HH21 ARG 2 HH11 ARG 2 61.501 -13.667 -15.234 25 HH22 ARG 2 HH12 ARG 2 61.764 -15.348 -15.559 26 H LEU 3 HN LEU 3 59.514 -12.238 -8.204 27 HA LEU 3 HA LEU 3 60.783 -9.996 -6.929 28 HB2 LEU 3 HB2 LEU 3 60.490 -12.924 -6.277 29 HB3 LEU 3 HB1 LEU 3 61.537 -11.884 -5.316 30 HG LEU 3 HG LEU 3 59.633 -10.369 -4.881 31 HD11 LEU 3 HD11 LEU 3 58.155 -12.410 -6.560 32 HD12 LEU 3 HD12 LEU 3 58.251 -10.666 -6.811 33 HD13 LEU 3 HD13 LEU 3 57.331 -11.310 -5.454 34 HD21 LEU 3 HD21 LEU 3 60.136 -12.258 -3.344 35 HD22 LEU 3 HD22 LEU 3 59.019 -13.275 -4.256 36 HD23 LEU 3 HD23 LEU 3 58.413 -11.871 -3.375 37 H GLU 4 HN GLU 4 61.886 -10.553 -9.481 38 HA GLU 4 HA GLU 4 64.410 -11.920 -9.139 39 HB2 GLU 4 HB2 GLU 4 64.868 -10.957 -11.445 40 HB3 GLU 4 HB1 GLU 4 63.484 -12.043 -11.330 41 HG2 GLU 4 HG2 GLU 4 61.962 -10.129 -11.196 42 HG3 GLU 4 HG1 GLU 4 63.325 -9.015 -11.222 43 H ILE 5 HN ILE 5 66.471 -10.955 -9.151 44 HA ILE 5 HA ILE 5 66.558 -8.300 -7.957 45 HB ILE 5 HB ILE 5 67.892 -10.003 -6.908 46 HG12 ILE 5 HG12 ILE 5 68.836 -7.506 -7.617 47 HG13 ILE 5 HG11 ILE 5 69.641 -8.591 -6.494 48 HG21 ILE 5 HG21 ILE 5 69.210 -10.409 -9.604 49 HG22 ILE 5 HG22 ILE 5 68.155 -11.540 -8.766 50 HG23 ILE 5 HG23 ILE 5 69.737 -11.146 -8.095 51 HD11 ILE 5 HD11 ILE 5 71.070 -7.603 -8.372 52 HD12 ILE 5 HD12 ILE 5 70.198 -8.676 -9.465 53 HD13 ILE 5 HD13 ILE 5 71.161 -9.350 -8.150 54 H LEU 6 HN LEU 6 66.755 -6.575 -9.146 55 HA LEU 6 HA LEU 6 67.295 -6.765 -11.972 56 HB2 LEU 6 HB2 LEU 6 66.998 -4.247 -10.369 57 HB3 LEU 6 HB1 LEU 6 66.671 -4.494 -12.077 58 HG LEU 6 HG LEU 6 65.154 -5.733 -9.772 59 HD11 LEU 6 HD11 LEU 6 64.782 -3.285 -10.269 60 HD12 LEU 6 HD12 LEU 6 63.343 -4.292 -10.438 61 HD13 LEU 6 HD13 LEU 6 64.221 -3.761 -11.874 62 HD21 LEU 6 HD21 LEU 6 63.613 -6.328 -11.862 63 HD22 LEU 6 HD22 LEU 6 64.962 -7.372 -11.417 64 HD23 LEU 6 HD23 LEU 6 65.139 -6.224 -12.743 65 H GLU 7 HN GLU 7 68.720 -4.526 -9.577 66 HA GLU 7 HA GLU 7 71.391 -5.051 -10.711 67 HB2 GLU 7 HB2 GLU 7 70.070 -2.337 -10.613 68 HB3 GLU 7 HB1 GLU 7 71.802 -2.574 -10.834 69 HG2 GLU 7 HG2 GLU 7 71.372 -3.916 -12.854 70 HG3 GLU 7 HG1 GLU 7 69.635 -3.690 -12.636 71 H LEU 8 HN LEU 8 73.047 -4.810 -9.357 72 HA LEU 8 HA LEU 8 72.549 -3.690 -6.669 73 HB2 LEU 8 HB2 LEU 8 73.610 -5.514 -5.608 74 HB3 LEU 8 HB1 LEU 8 72.476 -6.229 -6.744 75 HG LEU 8 HG LEU 8 75.469 -5.906 -7.184 76 HD11 LEU 8 HD11 LEU 8 74.825 -7.647 -5.548 77 HD12 LEU 8 HD12 LEU 8 75.477 -8.359 -7.025 78 HD13 LEU 8 HD13 LEU 8 73.736 -8.353 -6.742 79 HD21 LEU 8 HD21 LEU 8 73.208 -6.848 -8.955 80 HD22 LEU 8 HD22 LEU 8 74.821 -7.531 -9.152 81 HD23 LEU 8 HD23 LEU 8 74.567 -5.805 -9.367 82 H LEU 9 HN LEU 9 74.084 -2.361 -5.921 83 HA LEU 9 HA LEU 9 76.466 -1.913 -7.613 84 HB2 LEU 9 HB2 LEU 9 74.946 0.011 -7.141 85 HB3 LEU 9 HB1 LEU 9 75.296 -0.178 -5.425 86 HG LEU 9 HG LEU 9 77.701 0.220 -5.877 87 HD11 LEU 9 HD11 LEU 9 78.165 -0.434 -8.074 88 HD12 LEU 9 HD12 LEU 9 78.093 1.316 -8.255 89 HD13 LEU 9 HD13 LEU 9 76.707 0.326 -8.717 90 HD21 LEU 9 HD21 LEU 9 75.949 2.387 -7.071 91 HD22 LEU 9 HD22 LEU 9 77.504 2.608 -6.269 92 HD23 LEU 9 HD23 LEU 9 76.098 2.086 -5.340 93 H LYS 10 HN LYS 10 78.284 -2.840 -6.941 94 HA LYS 10 HA LYS 10 78.861 -2.989 -4.041 95 HB2 LYS 10 HB2 LYS 10 79.771 -5.117 -5.985 96 HB3 LYS 10 HB1 LYS 10 79.779 -5.173 -4.231 97 HG2 LYS 10 HG2 LYS 10 77.099 -4.855 -5.546 98 HG3 LYS 10 HG1 LYS 10 77.886 -6.403 -5.749 99 HD2 LYS 10 HD2 LYS 10 76.640 -6.755 -3.811 100 HD3 LYS 10 HD1 LYS 10 78.197 -6.318 -3.136 101 HE2 LYS 10 HE2 LYS 10 77.454 -4.092 -2.645 102 HE3 LYS 10 HE1 LYS 10 76.001 -4.288 -3.616 103 HZ1 LYS 10 HZ1 LYS 10 76.579 -5.206 -0.929 104 HZ2 LYS 10 HZ2 LYS 10 75.745 -6.311 -1.913 105 HZ3 LYS 10 HZ3 LYS 10 75.101 -4.766 -1.632 106 H ASN 11 HN ASN 11 81.364 -3.941 -4.094 107 HA ASN 11 HA ASN 11 83.552 -3.315 -4.354 108 HB2 ASN 11 HB2 ASN 11 83.013 -3.929 -6.760 109 HB3 ASN 11 HB1 ASN 11 82.760 -2.208 -7.048 110 HD21 ASN 11 HD21 ASN 11 84.645 -1.790 -8.335 111 HD22 ASN 11 HD22 ASN 11 86.224 -1.991 -7.744 112 H ALA 12 HN ALA 12 84.087 -1.742 -2.988 113 HA ALA 12 HA ALA 12 83.906 1.025 -3.910 114 HB1 ALA 12 HB1 ALA 12 82.817 1.766 -1.779 115 HB2 ALA 12 HB2 ALA 12 82.474 0.068 -1.445 116 HB3 ALA 12 HB3 ALA 12 81.770 0.845 -2.863 117 H ALA 13 HN ALA 13 85.478 2.230 -3.300 118 HA ALA 13 HA ALA 13 87.214 1.477 -1.014 119 HB1 ALA 13 HB1 ALA 13 89.046 2.613 -2.380 120 HB2 ALA 13 HB2 ALA 13 87.945 2.560 -3.756 121 HB3 ALA 13 HB3 ALA 13 88.501 1.061 -3.015 122 H VAL 14 HN VAL 14 87.478 3.190 0.428 123 HA VAL 14 HA VAL 14 86.580 5.871 -0.474 124 HB VAL 14 HB VAL 14 85.398 6.160 1.684 125 HG11 VAL 14 HG11 VAL 14 83.463 4.792 1.030 126 HG12 VAL 14 HG12 VAL 14 84.494 3.817 -0.011 127 HG13 VAL 14 HG13 VAL 14 84.218 5.518 -0.386 128 HG21 VAL 14 HG21 VAL 14 84.780 3.896 2.799 129 HG22 VAL 14 HG22 VAL 14 86.361 4.584 3.154 130 HG23 VAL 14 HG23 VAL 14 86.217 3.269 1.990 131 H ARG 15 HN ARG 15 88.196 7.135 -0.337 132 HA ARG 15 HA ARG 15 90.309 6.767 1.621 133 HB2 ARG 15 HB2 ARG 15 90.639 7.458 -0.807 134 HB3 ARG 15 HB1 ARG 15 89.987 9.033 -0.348 135 HG2 ARG 15 HG2 ARG 15 91.728 9.154 1.449 136 HG3 ARG 15 HG1 ARG 15 92.425 7.668 0.801 137 HD2 ARG 15 HD2 ARG 15 92.032 10.229 -0.771 138 HD3 ARG 15 HD1 ARG 15 93.564 9.698 -0.086 139 HE ARG 15 HE ARG 15 92.212 8.577 -2.420 140 HH11 ARG 15 HH21 ARG 15 95.071 8.885 -0.568 141 HH12 ARG 15 HH22 ARG 15 95.842 7.488 -1.240 142 HH21 ARG 15 HH11 ARG 15 93.062 6.489 -3.056 143 HH22 ARG 15 HH12 ARG 15 94.708 6.133 -2.647 144 H ALA 16 HN ALA 16 90.830 8.228 3.253 145 HA ALA 16 HA ALA 16 89.019 9.240 4.942 146 HB1 ALA 16 HB1 ALA 16 91.479 9.304 5.276 147 HB2 ALA 16 HB2 ALA 16 90.693 10.810 5.748 148 HB3 ALA 16 HB3 ALA 16 91.561 10.708 4.216 149 H GLY 17 HN GLY 17 87.344 10.619 4.815 150 HA2 GLY 17 HA2 GLY 17 86.297 12.689 4.425 151 HA3 GLY 17 HA1 GLY 17 87.613 13.129 3.340 152 H ALA 18 HN ALA 18 86.387 10.000 2.804 153 HA ALA 18 HA ALA 18 84.876 10.948 0.428 154 HB1 ALA 18 HB1 ALA 18 86.911 9.543 0.001 155 HB2 ALA 18 HB2 ALA 18 85.416 8.849 -0.626 156 HB3 ALA 18 HB3 ALA 18 86.120 8.225 0.866 157 H GLN 19 HN GLN 19 82.913 9.942 -0.107 158 HA GLN 19 HA GLN 19 81.503 8.713 2.190 159 HB2 GLN 19 HB2 GLN 19 80.463 10.086 -0.299 160 HB3 GLN 19 HB1 GLN 19 79.438 9.265 0.876 161 HG2 GLN 19 HG2 GLN 19 80.271 10.754 2.653 162 HG3 GLN 19 HG1 GLN 19 81.304 11.576 1.484 163 HE21 GLN 19 HE21 GLN 19 78.339 11.845 3.011 164 HE22 GLN 19 HE22 GLN 19 77.535 12.809 1.869 165 H ALA 20 HN ALA 20 79.727 7.145 1.459 166 HA ALA 20 HA ALA 20 80.679 5.395 -0.737 167 HB1 ALA 20 HB1 ALA 20 81.262 4.649 1.707 168 HB2 ALA 20 HB2 ALA 20 80.604 3.475 0.578 169 HB3 ALA 20 HB3 ALA 20 79.561 4.211 1.794 170 H CYS 21 HN CYS 21 79.111 4.544 -1.986 171 HA CYS 21 HA CYS 21 76.291 5.014 -1.196 172 HB2 CYS 21 HB2 CYS 21 77.089 6.686 -2.848 173 HB3 CYS 21 HB1 CYS 21 77.461 5.370 -3.961 174 HG CYS 21 HG CYS 21 74.552 5.953 -2.953 175 H PHE 22 HN PHE 22 75.388 3.135 -0.915 176 HA PHE 22 HA PHE 22 75.812 0.956 -2.898 177 HB2 PHE 22 HB2 PHE 22 75.169 0.648 0.044 178 HB3 PHE 22 HB1 PHE 22 75.431 -0.651 -1.111 179 HD1 PHE 22 HD1 PHE 22 77.698 -0.913 -2.191 180 HD2 PHE 22 HD2 PHE 22 76.980 1.725 1.130 181 HE1 PHE 22 HE1 PHE 22 80.131 -0.860 -1.703 182 HE2 PHE 22 HE2 PHE 22 79.406 1.781 1.614 183 HZ PHE 22 HZ PHE 22 80.978 0.492 0.207 184 H THR 23 HN THR 23 73.921 0.762 -4.050 185 HA THR 23 HA THR 23 71.384 0.915 -2.536 186 HB THR 23 HB THR 23 71.634 3.117 -3.542 187 HG1 THR 23 HG1 THR 23 69.602 2.881 -3.913 188 HG21 THR 23 HG21 THR 23 73.243 2.593 -5.295 189 HG22 THR 23 HG22 THR 23 71.815 3.331 -6.018 190 HG23 THR 23 HG23 THR 23 72.054 1.588 -6.125 191 H CYS 24 HN CYS 24 69.819 -0.534 -3.242 192 HA CYS 24 HA CYS 24 70.532 -2.209 -5.589 193 HB2 CYS 24 HB2 CYS 24 71.041 -3.467 -3.599 194 HB3 CYS 24 HB1 CYS 24 69.475 -3.070 -2.892 195 HG CYS 24 HG CYS 24 68.727 -5.165 -3.992 196 H THR 25 HN THR 25 69.112 -1.276 -6.998 197 HA THR 25 HA THR 25 66.359 -0.753 -6.366 198 HB THR 25 HB THR 25 67.564 -1.122 -9.119 199 HG1 THR 25 HG1 THR 25 68.150 0.679 -7.222 200 HG21 THR 25 HG21 THR 25 65.021 -0.888 -8.709 201 HG22 THR 25 HG22 THR 25 65.763 0.198 -9.884 202 HG23 THR 25 HG23 THR 25 65.385 0.779 -8.262 203 H LEU 26 HN LEU 26 65.092 -2.478 -5.823 204 HA LEU 26 HA LEU 26 65.377 -4.996 -7.330 205 HB2 LEU 26 HB2 LEU 26 63.956 -4.331 -4.749 206 HB3 LEU 26 HB1 LEU 26 63.902 -5.913 -5.523 207 HG LEU 26 HG LEU 26 66.458 -4.503 -4.686 208 HD11 LEU 26 HD11 LEU 26 66.445 -6.399 -2.937 209 HD12 LEU 26 HD12 LEU 26 64.727 -6.562 -3.310 210 HD13 LEU 26 HD13 LEU 26 65.352 -5.045 -2.661 211 HD21 LEU 26 HD21 LEU 26 67.129 -6.031 -6.329 212 HD22 LEU 26 HD22 LEU 26 65.818 -7.156 -5.971 213 HD23 LEU 26 HD23 LEU 26 67.208 -7.044 -4.892 214 H SER 27 HN SER 27 62.980 -6.137 -7.137 215 HA SER 27 HA SER 27 61.220 -4.387 -8.770 216 HB2 SER 27 HB2 SER 27 61.986 -6.232 -10.095 217 HB3 SER 27 HB1 SER 27 61.646 -7.385 -8.802 218 HG SER 27 HG SER 27 59.914 -7.481 -10.147 219 H GLU 28 HN GLU 28 61.508 -5.984 -5.786 220 HA GLU 28 HA GLU 28 58.615 -5.613 -5.290 221 HB2 GLU 28 HB2 GLU 28 58.860 -7.976 -5.773 222 HB3 GLU 28 HB1 GLU 28 60.221 -8.105 -4.667 223 HG2 GLU 28 HG2 GLU 28 58.256 -8.984 -3.570 224 HG3 GLU 28 HG1 GLU 28 58.677 -7.472 -2.779 225 H ALA 29 HN ALA 29 58.066 -5.037 -3.232 226 HA ALA 29 HA ALA 29 60.128 -3.800 -1.633 227 HB1 ALA 29 HB1 ALA 29 57.148 -4.131 -1.219 228 HB2 ALA 29 HB2 ALA 29 57.979 -2.694 -1.813 229 HB3 ALA 29 HB3 ALA 29 58.201 -3.214 -0.142 230 H VAL 30 HN VAL 30 60.953 -4.514 0.309 231 HA VAL 30 HA VAL 30 60.137 -7.226 1.172 232 HB VAL 30 HB VAL 30 62.772 -5.867 1.727 233 HG11 VAL 30 HG11 VAL 30 61.745 -8.713 1.917 234 HG12 VAL 30 HG12 VAL 30 62.388 -7.703 3.214 235 HG13 VAL 30 HG13 VAL 30 63.461 -8.309 1.956 236 HG21 VAL 30 HG21 VAL 30 61.995 -7.733 -0.539 237 HG22 VAL 30 HG22 VAL 30 63.647 -7.247 -0.154 238 HG23 VAL 30 HG23 VAL 30 62.481 -6.042 -0.697 239 HA PRO 31 HA PRO 31 58.695 -4.962 4.798 240 HB2 PRO 31 HB2 PRO 31 58.647 -7.340 6.465 241 HB3 PRO 31 HB1 PRO 31 57.281 -6.487 5.745 242 HG2 PRO 31 HG2 PRO 31 58.358 -9.010 4.990 243 HG3 PRO 31 HG1 PRO 31 57.034 -8.126 4.226 244 HD2 PRO 31 HD2 PRO 31 59.739 -8.522 3.231 245 HD3 PRO 31 HD1 PRO 31 58.359 -7.743 2.424 246 H VAL 32 HN VAL 32 59.513 -6.170 7.453 247 HA VAL 32 HA VAL 32 62.408 -5.500 7.376 248 HB VAL 32 HB VAL 32 60.405 -4.874 9.565 249 HG11 VAL 32 HG11 VAL 32 63.374 -4.372 9.234 250 HG12 VAL 32 HG12 VAL 32 62.570 -5.271 10.522 251 HG13 VAL 32 HG13 VAL 32 62.381 -3.520 10.418 252 HG21 VAL 32 HG21 VAL 32 60.304 -3.510 7.374 253 HG22 VAL 32 HG22 VAL 32 61.898 -2.901 7.821 254 HG23 VAL 32 HG23 VAL 32 60.512 -2.602 8.869 255 H GLY 33 HN GLY 33 63.440 -7.328 7.662 256 HA2 GLY 33 HA2 GLY 33 63.994 -8.820 9.703 257 HA3 GLY 33 HA1 GLY 33 62.357 -9.424 9.439 258 H GLU 34 HN GLU 34 62.585 -9.050 6.504 259 HA GLU 34 HA GLU 34 63.944 -11.573 5.908 260 HB2 GLU 34 HB2 GLU 34 62.141 -9.771 4.280 261 HB3 GLU 34 HB1 GLU 34 62.926 -11.205 3.620 262 HG2 GLU 34 HG2 GLU 34 61.831 -12.611 5.297 263 HG3 GLU 34 HG1 GLU 34 61.088 -11.194 6.036 264 H ALA 35 HN ALA 35 64.502 -8.209 5.739 265 HA ALA 35 HA ALA 35 66.768 -8.564 3.851 266 HB1 ALA 35 HB1 ALA 35 65.124 -6.131 4.594 267 HB2 ALA 35 HB2 ALA 35 65.271 -6.891 3.007 268 HB3 ALA 35 HB3 ALA 35 66.644 -6.029 3.705 269 H SER 36 HN SER 36 68.836 -7.976 4.528 270 HA SER 36 HA SER 36 69.119 -7.029 7.327 271 HB2 SER 36 HB2 SER 36 69.516 -9.478 7.148 272 HB3 SER 36 HB1 SER 36 70.774 -9.164 5.951 273 HG SER 36 HG SER 36 70.690 -8.514 8.699 274 H TRP 37 HN TRP 37 70.510 -5.396 7.591 275 HA TRP 37 HA TRP 37 72.464 -4.803 5.436 276 HB2 TRP 37 HB2 TRP 37 70.679 -2.854 6.908 277 HB3 TRP 37 HB1 TRP 37 72.018 -2.390 5.861 278 HD1 TRP 37 HD1 TRP 37 68.501 -3.781 5.811 279 HE1 TRP 37 HE1 TRP 37 67.632 -3.801 3.386 280 HE3 TRP 37 HE3 TRP 37 72.794 -2.568 3.324 281 HZ2 TRP 37 HZ2 TRP 37 68.622 -3.361 0.747 282 HZ3 TRP 37 HZ3 TRP 37 72.798 -2.370 0.854 283 HH2 TRP 37 HH2 TRP 37 70.719 -2.762 -0.437 284 H TYR 38 HN TYR 38 74.379 -5.157 6.336 285 HA TYR 38 HA TYR 38 75.161 -3.643 8.670 286 HB2 TYR 38 HB2 TYR 38 75.244 -6.663 8.807 287 HB3 TYR 38 HB1 TYR 38 75.917 -5.550 10.007 288 HD1 TYR 38 HD2 TYR 38 74.336 -3.889 11.123 289 HD2 TYR 38 HD1 TYR 38 72.951 -7.270 8.874 290 HE1 TYR 38 HE2 TYR 38 72.120 -3.701 12.217 291 HE2 TYR 38 HE1 TYR 38 70.732 -7.088 9.967 292 HH TYR 38 HH TYR 38 69.510 -6.015 11.477 293 H ILE 39 HN ILE 39 77.372 -3.621 9.046 294 HA ILE 39 HA ILE 39 79.069 -4.666 6.849 295 HB ILE 39 HB ILE 39 79.812 -2.263 8.534 296 HG12 ILE 39 HG12 ILE 39 78.794 -1.012 6.349 297 HG13 ILE 39 HG11 ILE 39 77.673 -2.371 6.419 298 HG21 ILE 39 HG21 ILE 39 80.376 -3.009 5.651 299 HG22 ILE 39 HG22 ILE 39 81.452 -3.334 7.008 300 HG23 ILE 39 HG23 ILE 39 81.097 -1.673 6.548 301 HD11 ILE 39 HD11 ILE 39 76.841 -0.430 7.721 302 HD12 ILE 39 HD12 ILE 39 78.294 -0.483 8.718 303 HD13 ILE 39 HD13 ILE 39 77.143 -1.816 8.767 304 H ASN 40 HN ASN 40 80.567 -6.272 7.691 305 HA ASN 40 HA ASN 40 80.601 -6.820 10.434 306 HB2 ASN 40 HB2 ASN 40 82.520 -7.533 8.210 307 HB3 ASN 40 HB1 ASN 40 82.661 -8.157 9.852 308 HD21 ASN 40 HD21 ASN 40 79.771 -8.413 10.310 309 HD22 ASN 40 HD22 ASN 40 79.238 -9.698 9.338 310 H GLY 41 HN GLY 41 81.571 -5.856 12.032 311 HA2 GLY 41 HA2 GLY 41 83.596 -5.024 13.064 312 HA3 GLY 41 HA1 GLY 41 83.990 -4.215 11.547 313 H ALA 42 HN ALA 42 80.703 -4.002 11.952 314 HA ALA 42 HA ALA 42 80.585 -1.813 13.814 315 HB1 ALA 42 HB1 ALA 42 81.614 -0.603 11.991 316 HB2 ALA 42 HB2 ALA 42 79.918 -0.122 12.093 317 HB3 ALA 42 HB3 ALA 42 80.442 -1.254 10.845 318 H ALA 43 HN ALA 43 78.786 -2.730 14.751 319 HA ALA 43 HA ALA 43 76.613 -3.812 13.235 320 HB1 ALA 43 HB1 ALA 43 76.997 -4.560 15.522 321 HB2 ALA 43 HB2 ALA 43 75.413 -3.795 15.421 322 HB3 ALA 43 HB3 ALA 43 76.769 -2.918 16.127 323 H VAL 44 HN VAL 44 74.793 -2.836 12.496 324 HA VAL 44 HA VAL 44 74.705 0.095 12.600 325 HB VAL 44 HB VAL 44 73.022 -1.849 11.003 326 HG11 VAL 44 HG11 VAL 44 73.431 1.149 10.878 327 HG12 VAL 44 HG12 VAL 44 71.920 0.295 11.195 328 HG13 VAL 44 HG13 VAL 44 72.660 0.216 9.595 329 HG21 VAL 44 HG21 VAL 44 75.499 -1.922 10.531 330 HG22 VAL 44 HG22 VAL 44 75.415 -0.207 10.130 331 HG23 VAL 44 HG23 VAL 44 74.528 -1.383 9.163 332 H GLN 45 HN GLN 45 73.837 0.709 14.512 333 HA GLN 45 HA GLN 45 71.444 -0.574 15.577 334 HB2 GLN 45 HB2 GLN 45 73.293 1.623 16.523 335 HB3 GLN 45 HB1 GLN 45 71.764 1.303 17.342 336 HG2 GLN 45 HG2 GLN 45 72.434 -1.037 17.702 337 HG3 GLN 45 HG1 GLN 45 73.949 -0.745 16.851 338 HE21 GLN 45 HE21 GLN 45 75.614 0.516 17.971 339 HE22 GLN 45 HE22 GLN 45 75.500 0.843 19.633 340 HA PRO 46 HA PRO 46 68.508 2.108 13.639 341 HB2 PRO 46 HB2 PRO 46 67.078 2.880 16.037 342 HB3 PRO 46 HB1 PRO 46 66.600 1.685 14.822 343 HG2 PRO 46 HG2 PRO 46 67.713 1.255 17.478 344 HG3 PRO 46 HG1 PRO 46 66.975 0.088 16.373 345 HD2 PRO 46 HD2 PRO 46 69.705 0.214 16.998 346 HD3 PRO 46 HD1 PRO 46 69.013 -0.629 15.599 347 H ASP 47 HN ASP 47 70.379 3.122 16.364 348 HA ASP 47 HA ASP 47 69.889 5.973 15.904 349 HB2 ASP 47 HB2 ASP 47 70.082 5.089 18.220 350 HB3 ASP 47 HB1 ASP 47 71.741 4.601 17.871 351 H ASP 48 HN ASP 48 71.415 3.900 14.126 352 HA ASP 48 HA ASP 48 74.094 4.300 13.956 353 HB2 ASP 48 HB2 ASP 48 73.832 4.091 11.461 354 HB3 ASP 48 HB1 ASP 48 73.027 2.842 12.407 355 H SER 49 HN SER 49 75.226 6.066 14.161 356 HA SER 49 HA SER 49 74.232 8.659 13.351 357 HB2 SER 49 HB2 SER 49 75.478 8.331 15.453 358 HB3 SER 49 HB1 SER 49 76.893 7.841 14.524 359 HG SER 49 HG SER 49 75.751 10.204 13.707 360 H ASP 50 HN ASP 50 77.017 6.582 12.419 361 HA ASP 50 HA ASP 50 77.815 8.475 10.364 362 HB2 ASP 50 HB2 ASP 50 78.855 5.772 11.225 363 HB3 ASP 50 HB1 ASP 50 79.546 6.694 9.889 364 H TRP 51 HN TRP 51 75.942 5.551 10.574 365 HA TRP 51 HA TRP 51 75.784 5.418 7.611 366 HB2 TRP 51 HB2 TRP 51 75.067 3.238 9.571 367 HB3 TRP 51 HB1 TRP 51 75.165 3.115 7.812 368 HD1 TRP 51 HD1 TRP 51 77.580 3.126 6.702 369 HE1 TRP 51 HE1 TRP 51 79.905 2.549 7.653 370 HE3 TRP 51 HE3 TRP 51 76.570 3.344 11.705 371 HZ2 TRP 51 HZ2 TRP 51 81.172 2.225 10.195 372 HZ3 TRP 51 HZ3 TRP 51 78.354 2.894 13.368 373 HH2 TRP 51 HH2 TRP 51 80.652 2.335 12.620 374 H THR 52 HN THR 52 73.821 5.253 6.639 375 HA THR 52 HA THR 52 71.414 5.680 8.326 376 HB THR 52 HB THR 52 72.026 6.998 5.660 377 HG1 THR 52 HG1 THR 52 73.102 8.237 6.998 378 HG21 THR 52 HG21 THR 52 69.653 6.572 5.946 379 HG22 THR 52 HG22 THR 52 69.963 8.290 6.181 380 HG23 THR 52 HG23 THR 52 69.696 7.242 7.577 381 H VAL 53 HN VAL 53 69.802 4.231 7.892 382 HA VAL 53 HA VAL 53 69.951 2.692 5.359 383 HB VAL 53 HB VAL 53 70.649 1.155 7.059 384 HG11 VAL 53 HG11 VAL 53 69.888 2.540 8.992 385 HG12 VAL 53 HG12 VAL 53 69.446 0.840 9.156 386 HG13 VAL 53 HG13 VAL 53 68.232 2.025 8.673 387 HG21 VAL 53 HG21 VAL 53 68.762 0.459 5.466 388 HG22 VAL 53 HG22 VAL 53 67.670 0.675 6.835 389 HG23 VAL 53 HG23 VAL 53 68.964 -0.523 6.916 390 H THR 54 HN THR 54 68.167 2.675 4.203 391 HA THR 54 HA THR 54 65.570 3.219 5.465 392 HB THR 54 HB THR 54 65.056 4.999 3.969 393 HG1 THR 54 HG1 THR 54 66.010 5.036 2.116 394 HG21 THR 54 HG21 THR 54 66.543 5.466 5.992 395 HG22 THR 54 HG22 THR 54 66.546 6.694 4.728 396 HG23 THR 54 HG23 THR 54 67.881 5.550 4.852 397 H ALA 55 HN ALA 55 63.777 2.576 4.190 398 HA ALA 55 HA ALA 55 64.395 0.928 1.800 399 HB1 ALA 55 HB1 ALA 55 62.621 -0.664 2.644 400 HB2 ALA 55 HB2 ALA 55 62.682 0.191 4.186 401 HB3 ALA 55 HB3 ALA 55 64.110 -0.652 3.587 402 H ASP 56 HN ASP 56 63.498 2.173 0.244 403 HA ASP 56 HA ASP 56 60.691 3.075 0.600 404 HB2 ASP 56 HB2 ASP 56 61.216 4.749 -1.172 405 HB3 ASP 56 HB1 ASP 56 62.162 4.973 0.299 406 H GLY 57 HN GLY 57 59.375 1.674 -0.364 407 HA2 GLY 57 HA2 GLY 57 58.454 0.285 -1.952 408 HA3 GLY 57 HA1 GLY 57 59.333 1.247 -3.135 409 H SER 58 HN SER 58 60.283 -0.203 -4.464 410 HA SER 58 HA SER 58 61.576 -2.603 -3.347 411 HB2 SER 58 HB2 SER 58 61.167 -1.789 -6.237 412 HB3 SER 58 HB1 SER 58 61.731 -3.354 -5.654 413 HG SER 58 HG SER 58 59.677 -3.414 -4.463 414 H HIS 59 HN HIS 59 62.767 -0.115 -2.748 415 HA HIS 59 HA HIS 59 65.400 -0.486 -4.032 416 HB2 HIS 59 HB2 HIS 59 64.292 2.282 -3.581 417 HB3 HIS 59 HB1 HIS 59 65.673 1.794 -4.567 418 HD1 HIS 59 HD1 HIS 59 64.591 -0.367 -6.312 419 HD2 HIS 59 HD2 HIS 59 62.346 3.026 -5.414 420 HE1 HIS 59 HE1 HIS 59 62.816 -0.189 -8.107 421 H HIS 60 HN HIS 60 67.123 -0.171 -2.643 422 HA HIS 60 HA HIS 60 66.508 0.795 0.104 423 HB2 HIS 60 HB2 HIS 60 68.056 -1.663 -0.744 424 HB3 HIS 60 HB1 HIS 60 68.215 -0.946 0.860 425 HD1 HIS 60 HD1 HIS 60 65.678 -2.644 -1.376 426 HD2 HIS 60 HD2 HIS 60 66.065 -1.440 2.595 427 HE1 HIS 60 HE1 HIS 60 63.692 -3.614 -0.138 428 H ALA 61 HN ALA 61 68.011 2.211 0.962 429 HA ALA 61 HA ALA 61 70.520 2.610 -0.591 430 HB1 ALA 61 HB1 ALA 61 68.835 4.792 0.649 431 HB2 ALA 61 HB2 ALA 61 68.811 4.367 -1.063 432 HB3 ALA 61 HB3 ALA 61 70.288 4.993 -0.330 433 H LEU 62 HN LEU 62 72.310 2.637 0.538 434 HA LEU 62 HA LEU 62 72.215 3.023 3.481 435 HB2 LEU 62 HB2 LEU 62 72.599 0.640 2.652 436 HB3 LEU 62 HB1 LEU 62 74.123 1.207 2.000 437 HG LEU 62 HG LEU 62 73.473 1.736 4.898 438 HD11 LEU 62 HD11 LEU 62 74.635 -0.431 5.437 439 HD12 LEU 62 HD12 LEU 62 74.509 -0.861 3.733 440 HD13 LEU 62 HD13 LEU 62 73.048 -0.633 4.693 441 HD21 LEU 62 HD21 LEU 62 76.030 1.330 5.000 442 HD22 LEU 62 HD22 LEU 62 75.487 2.807 4.211 443 HD23 LEU 62 HD23 LEU 62 75.998 1.424 3.243 444 H LEU 63 HN LEU 63 73.602 4.586 4.251 445 HA LEU 63 HA LEU 63 75.581 5.717 2.336 446 HB2 LEU 63 HB2 LEU 63 74.067 7.093 4.557 447 HB3 LEU 63 HB1 LEU 63 75.408 7.826 3.681 448 HG LEU 63 HG LEU 63 73.898 7.077 1.557 449 HD11 LEU 63 HD11 LEU 63 71.753 7.886 3.512 450 HD12 LEU 63 HD12 LEU 63 72.191 6.183 3.353 451 HD13 LEU 63 HD13 LEU 63 71.591 7.078 1.952 452 HD21 LEU 63 HD21 LEU 63 73.418 9.552 3.251 453 HD22 LEU 63 HD22 LEU 63 73.036 9.390 1.537 454 HD23 LEU 63 HD23 LEU 63 74.717 9.358 2.072 455 H LEU 64 HN LEU 64 77.270 6.889 3.213 456 HA LEU 64 HA LEU 64 78.338 6.154 5.825 457 HB2 LEU 64 HB2 LEU 64 79.338 4.562 4.092 458 HB3 LEU 64 HB1 LEU 64 80.025 5.986 3.313 459 HG LEU 64 HG LEU 64 81.086 6.575 5.535 460 HD11 LEU 64 HD11 LEU 64 80.002 5.364 7.206 461 HD12 LEU 64 HD12 LEU 64 81.433 4.370 6.954 462 HD13 LEU 64 HD13 LEU 64 79.896 3.900 6.229 463 HD21 LEU 64 HD21 LEU 64 82.968 5.087 5.191 464 HD22 LEU 64 HD22 LEU 64 82.279 5.468 3.617 465 HD23 LEU 64 HD23 LEU 64 81.944 3.909 4.370 466 H ARG 65 HN ARG 65 78.605 8.199 6.672 467 HA ARG 65 HA ARG 65 78.724 10.498 5.024 468 HB2 ARG 65 HB2 ARG 65 78.054 10.364 7.519 469 HB3 ARG 65 HB1 ARG 65 79.784 10.381 7.859 470 HG2 ARG 65 HG2 ARG 65 80.003 12.519 6.630 471 HG3 ARG 65 HG1 ARG 65 78.279 12.491 6.280 472 HD2 ARG 65 HD2 ARG 65 77.842 12.458 8.753 473 HD3 ARG 65 HD1 ARG 65 79.571 12.685 9.012 474 HE ARG 65 HE ARG 65 78.453 14.664 7.246 475 HH11 ARG 65 HH21 ARG 65 80.537 14.877 9.586 476 HH12 ARG 65 HH22 ARG 65 79.709 15.990 10.622 477 HH21 ARG 65 HH11 ARG 65 76.656 15.622 9.018 478 HH22 ARG 65 HH12 ARG 65 77.514 16.412 10.299 479 H SER 66 HN SER 66 81.160 11.213 7.033 480 HA SER 66 HA SER 66 83.164 10.982 4.967 481 HB2 SER 66 HB2 SER 66 84.595 12.180 6.564 482 HB3 SER 66 HB1 SER 66 83.036 12.983 6.378 483 HG SER 66 HG SER 66 82.760 11.180 8.278 484 H ALA 67 HN ALA 67 84.096 9.053 4.654 485 HA ALA 67 HA ALA 67 84.327 7.029 6.624 486 HB1 ALA 67 HB1 ALA 67 86.051 7.288 4.159 487 HB2 ALA 67 HB2 ALA 67 84.370 6.758 4.084 488 HB3 ALA 67 HB3 ALA 67 85.556 5.814 4.988 489 H GLN 68 HN GLN 68 85.919 6.570 8.044 490 HA GLN 68 HA GLN 68 88.408 8.160 7.953 491 HB2 GLN 68 HB2 GLN 68 86.776 7.595 10.441 492 HB3 GLN 68 HB1 GLN 68 88.301 8.477 10.374 493 HG2 GLN 68 HG2 GLN 68 87.135 10.064 8.732 494 HG3 GLN 68 HG1 GLN 68 85.631 9.295 9.230 495 HE21 GLN 68 HE21 GLN 68 87.951 11.697 10.088 496 HE22 GLN 68 HE22 GLN 68 87.328 12.053 11.626 497 HA PRO 69 HA PRO 69 90.374 4.205 8.349 498 HB2 PRO 69 HB2 PRO 69 92.364 5.051 10.275 499 HB3 PRO 69 HB1 PRO 69 92.566 4.801 8.535 500 HG2 PRO 69 HG2 PRO 69 92.323 7.296 10.007 501 HG3 PRO 69 HG1 PRO 69 92.787 7.040 8.319 502 HD2 PRO 69 HD2 PRO 69 90.361 8.152 9.199 503 HD3 PRO 69 HD1 PRO 69 90.673 7.531 7.566 504 H HIS 70 HN HIS 70 88.719 3.110 9.406 505 HA HIS 70 HA HIS 70 89.094 1.818 11.744 506 HB2 HIS 70 HB2 HIS 70 88.143 4.597 12.269 507 HB3 HIS 70 HB1 HIS 70 87.302 3.335 13.162 508 HD1 HIS 70 HD1 HIS 70 90.796 2.460 12.448 509 HD2 HIS 70 HD2 HIS 70 88.772 4.513 15.461 510 HE1 HIS 70 HE1 HIS 70 92.381 2.583 14.420 511 H HIS 71 HN HIS 71 86.949 3.286 9.488 512 HA HIS 71 HA HIS 71 84.639 1.680 10.274 513 HB2 HIS 71 HB2 HIS 71 85.084 3.713 8.081 514 HB3 HIS 71 HB1 HIS 71 83.569 2.837 8.306 515 HD1 HIS 71 HD1 HIS 71 82.671 3.004 10.962 516 HD2 HIS 71 HD2 HIS 71 85.138 6.050 9.547 517 HE1 HIS 71 HE1 HIS 71 82.374 4.963 12.542 518 H ALA 72 HN ALA 72 87.390 1.186 8.428 519 HA ALA 72 HA ALA 72 86.549 -0.098 6.117 520 HB1 ALA 72 HB1 ALA 72 88.831 -0.847 7.965 521 HB2 ALA 72 HB2 ALA 72 88.910 0.278 6.609 522 HB3 ALA 72 HB3 ALA 72 88.636 -1.440 6.315 523 H GLY 73 HN GLY 73 86.047 -2.286 5.614 524 HA2 GLY 73 HA2 GLY 73 85.950 -4.480 7.239 525 HA3 GLY 73 HA1 GLY 73 84.475 -3.606 7.640 526 H GLU 74 HN GLU 74 83.649 -5.774 6.773 527 HA GLU 74 HA GLU 74 83.510 -5.858 3.822 528 HB2 GLU 74 HB2 GLU 74 84.070 -7.940 5.093 529 HB3 GLU 74 HB1 GLU 74 82.476 -7.859 5.843 530 HG2 GLU 74 HG2 GLU 74 81.392 -8.027 3.664 531 HG3 GLU 74 HG1 GLU 74 82.957 -7.993 2.852 532 H VAL 75 HN VAL 75 81.471 -5.938 2.751 533 HA VAL 75 HA VAL 75 79.223 -4.778 4.320 534 HB VAL 75 HB VAL 75 79.856 -4.462 1.382 535 HG11 VAL 75 HG11 VAL 75 77.519 -4.350 1.544 536 HG12 VAL 75 HG12 VAL 75 78.003 -2.660 1.687 537 HG13 VAL 75 HG13 VAL 75 77.566 -3.580 3.129 538 HG21 VAL 75 HG21 VAL 75 80.525 -2.237 1.878 539 HG22 VAL 75 HG22 VAL 75 81.310 -3.224 3.110 540 HG23 VAL 75 HG23 VAL 75 79.852 -2.315 3.506 541 H THR 76 HN THR 76 77.713 -6.260 4.694 542 HA THR 76 HA THR 76 77.094 -8.241 2.573 543 HB THR 76 HB THR 76 76.942 -8.618 5.568 544 HG1 THR 76 HG1 THR 76 78.953 -8.777 3.901 545 HG21 THR 76 HG21 THR 76 76.513 -11.019 4.821 546 HG22 THR 76 HG22 THR 76 76.243 -10.372 3.203 547 HG23 THR 76 HG23 THR 76 75.191 -9.888 4.533 548 H PHE 77 HN PHE 77 75.128 -8.395 1.915 549 HA PHE 77 HA PHE 77 72.851 -7.440 3.463 550 HB2 PHE 77 HB2 PHE 77 73.087 -5.446 2.312 551 HB3 PHE 77 HB1 PHE 77 73.848 -6.213 0.921 552 HD1 PHE 77 HD2 PHE 77 70.586 -5.847 2.706 553 HD2 PHE 77 HD1 PHE 77 72.569 -6.802 -0.974 554 HE1 PHE 77 HE2 PHE 77 68.397 -5.905 1.545 555 HE2 PHE 77 HE1 PHE 77 70.384 -6.858 -2.140 556 HZ PHE 77 HZ PHE 77 68.295 -6.409 -0.881 557 H ALA 78 HN ALA 78 71.106 -8.683 3.182 558 HA ALA 78 HA ALA 78 70.988 -10.518 0.864 559 HB1 ALA 78 HB1 ALA 78 72.123 -11.648 2.812 560 HB2 ALA 78 HB2 ALA 78 70.649 -12.443 2.261 561 HB3 ALA 78 HB3 ALA 78 70.621 -11.449 3.719 562 H CYS 79 HN CYS 79 68.919 -11.086 0.246 563 HA CYS 79 HA CYS 79 66.656 -10.378 1.936 564 HB2 CYS 79 HB2 CYS 79 65.653 -8.837 0.359 565 HB3 CYS 79 HB1 CYS 79 67.260 -8.250 0.793 566 HG CYS 79 HG CYS 79 67.703 -8.264 -1.636 567 H ARG 80 HN ARG 80 65.222 -10.195 -0.841 568 HA ARG 80 HA ARG 80 64.062 -12.711 -0.848 569 HB2 ARG 80 HB2 ARG 80 64.447 -10.887 -3.233 570 HB3 ARG 80 HB1 ARG 80 63.241 -12.163 -3.081 571 HG2 ARG 80 HG2 ARG 80 62.185 -11.016 -1.214 572 HG3 ARG 80 HG1 ARG 80 63.447 -9.781 -1.220 573 HD2 ARG 80 HD2 ARG 80 61.613 -10.349 -3.565 574 HD3 ARG 80 HD1 ARG 80 61.342 -9.067 -2.390 575 HE ARG 80 HE ARG 80 63.609 -8.192 -3.117 576 HH11 ARG 80 HH21 ARG 80 64.217 -10.397 -5.071 577 HH12 ARG 80 HH22 ARG 80 63.759 -9.688 -6.584 578 HH21 ARG 80 HH11 ARG 80 61.898 -7.151 -5.137 579 HH22 ARG 80 HH12 ARG 80 62.450 -7.853 -6.621 580 H ASP 81 HN ASP 81 65.825 -14.200 -0.572 581 HA ASP 81 HA ASP 81 67.476 -15.655 -1.253 582 HB2 ASP 81 HB2 ASP 81 65.595 -15.524 -3.604 583 HB3 ASP 81 HB1 ASP 81 66.944 -16.654 -3.549 584 H ALA 82 HN ALA 82 67.649 -12.624 -2.216 585 HA ALA 82 HA ALA 82 69.666 -13.030 -4.329 586 HB1 ALA 82 HB1 ALA 82 68.636 -10.396 -3.260 587 HB2 ALA 82 HB2 ALA 82 67.842 -11.271 -4.568 588 HB3 ALA 82 HB3 ALA 82 69.495 -10.686 -4.770 589 H VAL 83 HN VAL 83 71.352 -13.884 -3.114 590 HA VAL 83 HA VAL 83 72.328 -12.532 -0.742 591 HB VAL 83 HB VAL 83 72.456 -15.017 -1.077 592 HG11 VAL 83 HG11 VAL 83 74.022 -15.964 -2.614 593 HG12 VAL 83 HG12 VAL 83 74.728 -14.391 -2.977 594 HG13 VAL 83 HG13 VAL 83 73.100 -14.779 -3.541 595 HG21 VAL 83 HG21 VAL 83 73.961 -13.784 0.508 596 HG22 VAL 83 HG22 VAL 83 75.162 -13.670 -0.780 597 HG23 VAL 83 HG23 VAL 83 74.695 -15.249 -0.145 598 H ALA 84 HN ALA 84 73.738 -10.891 -0.739 599 HA ALA 84 HA ALA 84 75.686 -10.587 -2.898 600 HB1 ALA 84 HB1 ALA 84 73.902 -9.400 -3.922 601 HB2 ALA 84 HB2 ALA 84 74.903 -8.156 -3.177 602 HB3 ALA 84 HB3 ALA 84 73.409 -8.668 -2.395 603 H SER 85 HN SER 85 77.542 -9.735 -2.124 604 HA SER 85 HA SER 85 77.531 -7.976 0.216 605 HB2 SER 85 HB2 SER 85 77.592 -10.221 1.220 606 HB3 SER 85 HB1 SER 85 78.975 -10.639 0.212 607 HG SER 85 HG SER 85 79.877 -8.593 1.232 608 H ALA 86 HN ALA 86 79.145 -6.471 0.036 609 HA ALA 86 HA ALA 86 81.109 -6.869 -2.124 610 HB1 ALA 86 HB1 ALA 86 80.693 -4.237 -0.747 611 HB2 ALA 86 HB2 ALA 86 79.473 -4.815 -1.870 612 HB3 ALA 86 HB3 ALA 86 81.126 -4.573 -2.419 613 H ARG 87 HN ARG 87 82.797 -4.841 -1.299 614 HA ARG 87 HA ARG 87 83.984 -5.669 1.245 615 HB2 ARG 87 HB2 ARG 87 85.419 -5.775 -1.421 616 HB3 ARG 87 HB1 ARG 87 86.244 -5.775 0.137 617 HG2 ARG 87 HG2 ARG 87 85.018 -7.819 0.790 618 HG3 ARG 87 HG1 ARG 87 84.205 -7.824 -0.774 619 HD2 ARG 87 HD2 ARG 87 87.214 -7.901 -0.469 620 HD3 ARG 87 HD1 ARG 87 86.224 -9.350 -0.626 621 HE ARG 87 HE ARG 87 86.870 -7.450 -2.728 622 HH11 ARG 87 HH11 ARG 87 83.880 -7.809 -2.775 623 HH12 ARG 87 HH12 ARG 87 83.687 -9.177 -3.818 624 HH21 ARG 87 HH21 ARG 87 87.001 -10.169 -3.560 625 HH22 ARG 87 HH22 ARG 87 85.457 -10.515 -4.264 626 H LEU 88 HN LEU 88 84.234 -3.828 2.308 627 HA LEU 88 HA LEU 88 84.786 -1.334 0.816 628 HB2 LEU 88 HB2 LEU 88 82.712 -1.354 2.178 629 HB3 LEU 88 HB1 LEU 88 83.679 -1.692 3.612 630 HG LEU 88 HG LEU 88 84.919 0.430 3.273 631 HD11 LEU 88 HD11 LEU 88 84.914 0.999 1.028 632 HD12 LEU 88 HD12 LEU 88 83.599 2.033 1.581 633 HD13 LEU 88 HD13 LEU 88 83.241 0.502 0.784 634 HD21 LEU 88 HD21 LEU 88 83.207 1.851 4.099 635 HD22 LEU 88 HD22 LEU 88 82.714 0.228 4.583 636 HD23 LEU 88 HD23 LEU 88 81.953 1.004 3.194 637 H THR 89 HN THR 89 86.638 -0.274 1.137 638 HA THR 89 HA THR 89 88.313 -0.981 3.461 639 HB THR 89 HB THR 89 89.205 -2.320 1.684 640 HG1 THR 89 HG1 THR 89 91.026 -0.354 1.351 641 HG21 THR 89 HG21 THR 89 90.029 -1.073 -0.416 642 HG22 THR 89 HG22 THR 89 88.935 0.218 0.082 643 HG23 THR 89 HG23 THR 89 88.299 -1.387 -0.283 644 H VAL 90 HN VAL 90 89.696 0.610 4.184 645 HA VAL 90 HA VAL 90 89.134 3.316 3.101 646 HB VAL 90 HB VAL 90 89.956 2.459 5.881 647 HG11 VAL 90 HG11 VAL 90 90.888 4.620 5.466 648 HG12 VAL 90 HG12 VAL 90 89.396 4.904 6.360 649 HG13 VAL 90 HG13 VAL 90 89.437 5.156 4.618 650 HG21 VAL 90 HG21 VAL 90 87.364 3.781 5.082 651 HG22 VAL 90 HG22 VAL 90 87.731 2.875 6.545 652 HG23 VAL 90 HG23 VAL 90 87.537 2.028 5.013 653 H LEU 91 HN LEU 91 90.759 4.347 2.172 654 HA LEU 91 HA LEU 91 93.486 3.280 2.384 655 HB2 LEU 91 HB2 LEU 91 92.128 5.244 0.540 656 HB3 LEU 91 HB1 LEU 91 93.880 5.047 0.559 657 HG LEU 91 HG LEU 91 93.577 2.598 0.155 658 HD11 LEU 91 HD11 LEU 91 91.188 2.040 -0.760 659 HD12 LEU 91 HD12 LEU 91 90.678 3.441 0.185 660 HD13 LEU 91 HD13 LEU 91 91.446 2.068 0.984 661 HD21 LEU 91 HD21 LEU 91 92.082 4.176 -1.947 662 HD22 LEU 91 HD22 LEU 91 93.172 2.809 -2.178 663 HD23 LEU 91 HD23 LEU 91 93.816 4.377 -1.691 664 H GLY 92 HN GLY 92 95.136 4.312 3.389 665 HA2 GLY 92 HA2 GLY 92 94.965 7.123 4.112 666 HA3 GLY 92 HA1 GLY 92 94.876 6.009 5.473 667 H LEU 93 HN LEU 93 96.751 5.632 6.442 668 HA LEU 93 HA LEU 93 99.269 6.063 4.959 669 HB2 LEU 93 HB2 LEU 93 100.216 5.940 7.361 670 HB3 LEU 93 HB1 LEU 93 99.334 7.383 6.881 671 HG LEU 93 HG LEU 93 97.757 5.140 8.124 672 HD11 LEU 93 HD11 LEU 93 99.768 5.392 9.584 673 HD12 LEU 93 HD12 LEU 93 98.280 5.902 10.383 674 HD13 LEU 93 HD13 LEU 93 99.397 7.109 9.746 675 HD21 LEU 93 HD21 LEU 93 96.373 6.928 8.919 676 HD22 LEU 93 HD22 LEU 93 96.780 7.350 7.258 677 HD23 LEU 93 HD23 LEU 93 97.621 8.130 8.592 678 HA PRO 94 HA PRO 94 99.341 1.503 5.365 679 HB2 PRO 94 HB2 PRO 94 101.410 1.355 3.327 680 HB3 PRO 94 HB1 PRO 94 99.717 0.850 3.207 681 HG2 PRO 94 HG2 PRO 94 100.830 2.991 1.856 682 HG3 PRO 94 HG1 PRO 94 99.102 2.775 2.169 683 HD2 PRO 94 HD2 PRO 94 101.066 4.546 3.576 684 HD3 PRO 94 HD1 PRO 94 99.335 4.794 3.235 685 H ASP 95 HN ASP 95 102.545 2.704 4.348 686 HA ASP 95 HA ASP 95 103.808 1.271 6.534 687 HB2 ASP 95 HB2 ASP 95 104.826 1.409 4.261 688 HB3 ASP 95 HB1 ASP 95 105.074 3.137 4.522 689 H GLY 96 HN GLY 96 104.572 4.586 5.483 690 HA2 GLY 96 HA2 GLY 96 103.663 6.302 7.237 691 HA3 GLY 96 HA1 GLY 96 104.696 5.379 8.323 692 H LEU 97 HN LEU 97 106.505 5.074 5.737 693 HA LEU 97 HA LEU 97 108.215 7.275 6.463 694 HB2 LEU 97 HB2 LEU 97 109.854 6.302 5.092 695 HB3 LEU 97 HB1 LEU 97 108.952 4.924 5.708 696 HG LEU 97 HG LEU 97 108.504 6.199 2.981 697 HD11 LEU 97 HD11 LEU 97 109.903 3.639 3.777 698 HD12 LEU 97 HD12 LEU 97 110.682 5.087 3.143 699 HD13 LEU 97 HD13 LEU 97 109.579 4.162 2.125 700 HD21 LEU 97 HD21 LEU 97 106.477 5.131 3.812 701 HD22 LEU 97 HD22 LEU 97 107.396 3.721 4.336 702 HD23 LEU 97 HD23 LEU 97 107.212 4.064 2.617 703 H GLU 98 HN GLU 98 108.519 9.190 5.464 704 HA GLU 98 HA GLU 98 106.713 9.828 3.210 705 HB2 GLU 98 HB2 GLU 98 106.616 11.230 5.282 706 HB3 GLU 98 HB1 GLU 98 108.285 11.714 4.987 707 HG2 GLU 98 HG2 GLU 98 107.658 12.704 2.838 708 HG3 GLU 98 HG1 GLU 98 106.002 12.130 3.030 709 H HIS 99 HN HIS 99 109.949 9.121 3.916 710 HA HIS 99 HA HIS 99 110.828 10.212 1.296 711 HB2 HIS 99 HB2 HIS 99 113.128 10.340 2.418 712 HB3 HIS 99 HB1 HIS 99 111.945 11.561 2.892 713 HD1 HIS 99 HD1 HIS 99 112.728 8.003 4.064 714 HD2 HIS 99 HD2 HIS 99 111.921 11.780 5.633 715 HE1 HIS 99 HE1 HIS 99 112.773 7.758 6.584 716 H HIS 100 HN HIS 100 111.867 8.822 -0.014 717 HA HIS 100 HA HIS 100 111.962 6.012 0.799 718 HB2 HIS 100 HB2 HIS 100 112.518 5.686 -1.653 719 HB3 HIS 100 HB1 HIS 100 110.943 6.402 -1.323 720 HD1 HIS 100 HD1 HIS 100 114.491 7.556 -2.123 721 HD2 HIS 100 HD2 HIS 100 110.547 8.804 -2.635 722 HE1 HIS 100 HE1 HIS 100 114.580 9.643 -3.556 723 H HIS 101 HN HIS 101 113.753 4.969 1.343 724 HA HIS 101 HA HIS 101 116.386 6.077 0.551 725 HB2 HIS 101 HB2 HIS 101 115.924 6.630 2.915 726 HB3 HIS 101 HB1 HIS 101 115.660 4.920 3.256 727 HD1 HIS 101 HD1 HIS 101 118.392 7.184 1.869 728 HD2 HIS 101 HD2 HIS 101 117.997 3.539 3.850 729 HE1 HIS 101 HE1 HIS 101 120.739 6.404 2.403 730 H HIS 102 HN HIS 102 114.271 3.513 0.401 731 HA HIS 102 HA HIS 102 116.393 1.710 -0.464 732 HB2 HIS 102 HB2 HIS 102 115.548 -0.139 0.995 733 HB3 HIS 102 HB1 HIS 102 116.316 1.174 1.890 734 HD1 HIS 102 HD1 HIS 102 114.665 2.913 3.070 735 HD2 HIS 102 HD2 HIS 102 112.855 -0.559 1.635 736 HE1 HIS 102 HE1 HIS 102 112.367 2.814 4.130 737 H HIS 103 HN HIS 103 115.536 -0.238 -1.497 738 HA HIS 103 HA HIS 103 113.672 0.231 -3.456 739 HB2 HIS 103 HB2 HIS 103 114.415 -2.380 -2.123 740 HB3 HIS 103 HB1 HIS 103 113.441 -2.275 -3.590 741 HD1 HIS 103 HD1 HIS 103 114.623 -1.585 -5.770 742 HD2 HIS 103 HD2 HIS 103 117.164 -1.611 -2.466 743 HE1 HIS 103 HE1 HIS 103 116.971 -1.288 -6.670 744 H HIS 104 HN HIS 104 111.548 -0.987 -3.749 745 HA HIS 104 HA HIS 104 109.336 -1.206 -3.171 746 HB2 HIS 104 HB2 HIS 104 110.364 -2.978 -1.695 747 HB3 HIS 104 HB1 HIS 104 110.362 -1.793 -0.391 748 HD1 HIS 104 HD1 HIS 104 108.047 -1.029 0.535 749 HD2 HIS 104 HD2 HIS 104 107.809 -4.000 -2.381 750 HE1 HIS 104 HE1 HIS 104 105.684 -1.934 0.627 Start of MODEL 3 1 H1 TRP 1 HT1 TRP 1 59.382 -9.456 -15.095 2 H2 TRP 1 HT2 TRP 1 59.877 -8.361 -16.295 3 H3 TRP 1 HT3 TRP 1 60.274 -8.078 -14.668 4 HA TRP 1 HA TRP 1 61.298 -10.259 -16.397 5 HB2 TRP 1 HB2 TRP 1 62.773 -8.026 -14.976 6 HB3 TRP 1 HB1 TRP 1 63.421 -9.140 -16.179 7 HD1 TRP 1 HD1 TRP 1 60.796 -8.874 -18.146 8 HE1 TRP 1 HE1 TRP 1 60.598 -6.743 -19.576 9 HE3 TRP 1 HE3 TRP 1 63.895 -5.766 -15.536 10 HZ2 TRP 1 HZ2 TRP 1 61.616 -4.069 -19.610 11 HZ3 TRP 1 HZ3 TRP 1 64.262 -3.434 -16.288 12 HH2 TRP 1 HH2 TRP 1 63.125 -2.581 -18.319 13 H ARG 2 HN ARG 2 63.333 -9.285 -13.914 14 HA ARG 2 HA ARG 2 62.727 -11.723 -12.386 15 HB2 ARG 2 HB2 ARG 2 65.132 -9.885 -12.406 16 HB3 ARG 2 HB1 ARG 2 64.965 -11.301 -11.367 17 HG2 ARG 2 HG2 ARG 2 64.786 -12.764 -13.298 18 HG3 ARG 2 HG1 ARG 2 64.781 -11.379 -14.389 19 HD2 ARG 2 HD2 ARG 2 67.014 -12.413 -14.300 20 HD3 ARG 2 HD1 ARG 2 67.051 -10.777 -13.650 21 HE ARG 2 HE ARG 2 66.594 -12.537 -11.515 22 HH11 ARG 2 HH21 ARG 2 68.916 -10.483 -12.110 23 HH12 ARG 2 HH22 ARG 2 70.284 -11.517 -11.863 24 HH21 ARG 2 HH11 ARG 2 68.435 -14.441 -11.956 25 HH22 ARG 2 HH12 ARG 2 70.013 -13.750 -11.778 26 H LEU 3 HN LEU 3 62.507 -11.717 -10.153 27 HA LEU 3 HA LEU 3 61.467 -9.210 -8.982 28 HB2 LEU 3 HB2 LEU 3 61.228 -12.105 -8.167 29 HB3 LEU 3 HB1 LEU 3 60.524 -10.761 -7.278 30 HG LEU 3 HG LEU 3 59.911 -11.179 -10.205 31 HD11 LEU 3 HD11 LEU 3 58.332 -12.287 -7.861 32 HD12 LEU 3 HD12 LEU 3 59.342 -13.263 -8.929 33 HD13 LEU 3 HD13 LEU 3 57.917 -12.440 -9.565 34 HD21 LEU 3 HD21 LEU 3 58.539 -9.753 -7.908 35 HD22 LEU 3 HD22 LEU 3 57.778 -10.020 -9.474 36 HD23 LEU 3 HD23 LEU 3 59.224 -9.026 -9.359 37 H GLU 4 HN GLU 4 64.313 -10.645 -9.197 38 HA GLU 4 HA GLU 4 65.018 -10.574 -6.348 39 HB2 GLU 4 HB2 GLU 4 66.618 -11.422 -8.777 40 HB3 GLU 4 HB1 GLU 4 67.094 -11.630 -7.087 41 HG2 GLU 4 HG2 GLU 4 65.117 -13.019 -6.673 42 HG3 GLU 4 HG1 GLU 4 64.596 -12.793 -8.341 43 H ILE 5 HN ILE 5 67.817 -10.050 -7.550 44 HA ILE 5 HA ILE 5 67.776 -7.178 -7.056 45 HB ILE 5 HB ILE 5 70.386 -7.674 -7.451 46 HG12 ILE 5 HG12 ILE 5 69.577 -10.145 -8.018 47 HG13 ILE 5 HG11 ILE 5 71.064 -9.875 -7.117 48 HG21 ILE 5 HG21 ILE 5 68.754 -8.267 -4.977 49 HG22 ILE 5 HG22 ILE 5 69.600 -6.778 -5.385 50 HG23 ILE 5 HG23 ILE 5 70.519 -8.225 -4.979 51 HD11 ILE 5 HD11 ILE 5 69.336 -11.622 -6.218 52 HD12 ILE 5 HD12 ILE 5 68.460 -10.204 -5.641 53 HD13 ILE 5 HD13 ILE 5 70.102 -10.515 -5.080 54 H LEU 6 HN LEU 6 66.985 -6.169 -8.831 55 HA LEU 6 HA LEU 6 67.596 -6.843 -11.505 56 HB2 LEU 6 HB2 LEU 6 66.875 -4.123 -10.404 57 HB3 LEU 6 HB1 LEU 6 66.690 -4.664 -12.070 58 HG LEU 6 HG LEU 6 65.258 -5.815 -9.657 59 HD11 LEU 6 HD11 LEU 6 63.294 -4.740 -10.525 60 HD12 LEU 6 HD12 LEU 6 64.124 -4.289 -12.014 61 HD13 LEU 6 HD13 LEU 6 64.565 -3.516 -10.492 62 HD21 LEU 6 HD21 LEU 6 63.912 -6.901 -11.643 63 HD22 LEU 6 HD22 LEU 6 65.435 -7.632 -11.138 64 HD23 LEU 6 HD23 LEU 6 65.381 -6.602 -12.570 65 H GLU 7 HN GLU 7 68.905 -4.201 -9.442 66 HA GLU 7 HA GLU 7 71.462 -4.414 -10.911 67 HB2 GLU 7 HB2 GLU 7 69.920 -1.861 -10.382 68 HB3 GLU 7 HB1 GLU 7 71.602 -1.918 -10.911 69 HG2 GLU 7 HG2 GLU 7 70.941 -3.143 -12.940 70 HG3 GLU 7 HG1 GLU 7 69.260 -3.122 -12.410 71 H LEU 8 HN LEU 8 73.182 -4.378 -9.613 72 HA LEU 8 HA LEU 8 72.817 -3.559 -6.780 73 HB2 LEU 8 HB2 LEU 8 74.932 -5.266 -6.656 74 HB3 LEU 8 HB1 LEU 8 73.265 -5.793 -6.458 75 HG LEU 8 HG LEU 8 74.375 -5.665 -9.257 76 HD11 LEU 8 HD11 LEU 8 75.199 -8.005 -8.993 77 HD12 LEU 8 HD12 LEU 8 74.986 -7.847 -7.250 78 HD13 LEU 8 HD13 LEU 8 76.152 -6.827 -8.092 79 HD21 LEU 8 HD21 LEU 8 72.806 -7.425 -9.655 80 HD22 LEU 8 HD22 LEU 8 71.960 -6.279 -8.613 81 HD23 LEU 8 HD23 LEU 8 72.638 -7.755 -7.931 82 H LEU 9 HN LEU 9 74.489 -2.416 -5.788 83 HA LEU 9 HA LEU 9 76.653 -1.413 -7.561 84 HB2 LEU 9 HB2 LEU 9 74.842 0.069 -5.670 85 HB3 LEU 9 HB1 LEU 9 76.498 0.633 -5.866 86 HG LEU 9 HG LEU 9 76.130 0.722 -8.344 87 HD11 LEU 9 HD11 LEU 9 73.426 -0.278 -7.496 88 HD12 LEU 9 HD12 LEU 9 74.399 -0.715 -8.900 89 HD13 LEU 9 HD13 LEU 9 73.527 0.811 -8.879 90 HD21 LEU 9 HD21 LEU 9 73.998 2.347 -6.950 91 HD22 LEU 9 HD22 LEU 9 75.034 2.820 -8.293 92 HD23 LEU 9 HD23 LEU 9 75.709 2.663 -6.670 93 H LYS 10 HN LYS 10 78.609 -1.958 -6.865 94 HA LYS 10 HA LYS 10 79.203 -2.098 -4.000 95 HB2 LYS 10 HB2 LYS 10 80.336 -4.311 -4.294 96 HB3 LYS 10 HB1 LYS 10 78.585 -4.392 -4.445 97 HG2 LYS 10 HG2 LYS 10 80.330 -4.029 -6.875 98 HG3 LYS 10 HG1 LYS 10 80.035 -5.628 -6.206 99 HD2 LYS 10 HD2 LYS 10 77.987 -5.730 -7.195 100 HD3 LYS 10 HD1 LYS 10 77.479 -4.237 -6.419 101 HE2 LYS 10 HE2 LYS 10 77.327 -3.855 -8.758 102 HE3 LYS 10 HE1 LYS 10 78.771 -2.999 -8.234 103 HZ1 LYS 10 HZ1 LYS 10 79.830 -5.345 -8.799 104 HZ2 LYS 10 HZ2 LYS 10 79.634 -4.140 -9.980 105 HZ3 LYS 10 HZ3 LYS 10 78.514 -5.413 -9.866 106 H ASN 11 HN ASN 11 81.743 -3.169 -4.184 107 HA ASN 11 HA ASN 11 83.904 -2.542 -4.608 108 HB2 ASN 11 HB2 ASN 11 83.201 -3.297 -6.915 109 HB3 ASN 11 HB1 ASN 11 82.890 -1.603 -7.295 110 HD21 ASN 11 HD21 ASN 11 84.650 -1.416 -8.823 111 HD22 ASN 11 HD22 ASN 11 86.274 -1.490 -8.338 112 H ALA 12 HN ALA 12 84.574 -0.922 -3.396 113 HA ALA 12 HA ALA 12 84.611 1.737 -4.442 114 HB1 ALA 12 HB1 ALA 12 82.815 1.289 -2.060 115 HB2 ALA 12 HB2 ALA 12 82.277 1.698 -3.690 116 HB3 ALA 12 HB3 ALA 12 83.236 2.849 -2.759 117 H ALA 13 HN ALA 13 85.964 3.083 -3.461 118 HA ALA 13 HA ALA 13 87.323 2.250 -0.968 119 HB1 ALA 13 HB1 ALA 13 89.408 3.289 -1.973 120 HB2 ALA 13 HB2 ALA 13 88.571 3.294 -3.525 121 HB3 ALA 13 HB3 ALA 13 88.909 1.766 -2.715 122 H VAL 14 HN VAL 14 87.531 3.901 0.494 123 HA VAL 14 HA VAL 14 86.876 6.648 -0.441 124 HB VAL 14 HB VAL 14 85.568 6.854 1.789 125 HG11 VAL 14 HG11 VAL 14 83.537 6.119 0.719 126 HG12 VAL 14 HG12 VAL 14 84.428 5.073 -0.382 127 HG13 VAL 14 HG13 VAL 14 84.566 6.825 -0.516 128 HG21 VAL 14 HG21 VAL 14 86.427 4.564 2.550 129 HG22 VAL 14 HG22 VAL 14 85.310 3.865 1.384 130 HG23 VAL 14 HG23 VAL 14 84.698 4.839 2.721 131 H ARG 15 HN ARG 15 88.536 7.884 -0.067 132 HA ARG 15 HA ARG 15 90.386 7.388 2.094 133 HB2 ARG 15 HB2 ARG 15 91.528 9.427 1.338 134 HB3 ARG 15 HB1 ARG 15 91.189 8.365 -0.026 135 HG2 ARG 15 HG2 ARG 15 89.251 9.718 -0.650 136 HG3 ARG 15 HG1 ARG 15 89.469 10.739 0.773 137 HD2 ARG 15 HD2 ARG 15 90.425 11.835 -1.203 138 HD3 ARG 15 HD1 ARG 15 91.701 11.412 -0.065 139 HE ARG 15 HE ARG 15 91.322 9.316 -1.956 140 HH11 ARG 15 HH11 ARG 15 93.848 10.926 -0.922 141 HH12 ARG 15 HH12 ARG 15 94.504 11.425 -2.445 142 HH21 ARG 15 HH21 ARG 15 91.650 10.638 -4.240 143 HH22 ARG 15 HH22 ARG 15 93.259 11.273 -4.316 144 H ALA 16 HN ALA 16 90.926 9.310 3.592 145 HA ALA 16 HA ALA 16 88.841 9.740 5.349 146 HB1 ALA 16 HB1 ALA 16 90.996 10.178 6.175 147 HB2 ALA 16 HB2 ALA 16 90.256 11.776 6.098 148 HB3 ALA 16 HB3 ALA 16 91.387 11.266 4.844 149 H GLY 17 HN GLY 17 86.920 10.621 4.879 150 HA2 GLY 17 HA2 GLY 17 85.626 12.629 4.709 151 HA3 GLY 17 HA1 GLY 17 86.884 13.339 3.710 152 H ALA 18 HN ALA 18 86.540 10.250 2.592 153 HA ALA 18 HA ALA 18 84.892 11.161 0.342 154 HB1 ALA 18 HB1 ALA 18 85.574 8.913 -0.609 155 HB2 ALA 18 HB2 ALA 18 86.590 8.709 0.818 156 HB3 ALA 18 HB3 ALA 18 86.895 10.038 -0.299 157 H GLN 19 HN GLN 19 83.042 10.005 -0.388 158 HA GLN 19 HA GLN 19 81.608 8.595 1.789 159 HB2 GLN 19 HB2 GLN 19 80.587 10.044 -0.662 160 HB3 GLN 19 HB1 GLN 19 79.575 9.235 0.535 161 HG2 GLN 19 HG2 GLN 19 80.502 10.710 2.298 162 HG3 GLN 19 HG1 GLN 19 81.465 11.543 1.076 163 HE21 GLN 19 HE21 GLN 19 78.633 10.675 -0.451 164 HE22 GLN 19 HE22 GLN 19 77.738 12.095 -0.196 165 H ALA 20 HN ALA 20 80.311 6.774 1.311 166 HA ALA 20 HA ALA 20 81.004 5.318 -1.186 167 HB1 ALA 20 HB1 ALA 20 80.432 4.000 1.472 168 HB2 ALA 20 HB2 ALA 20 82.065 4.385 0.943 169 HB3 ALA 20 HB3 ALA 20 81.082 3.262 0.012 170 H CYS 21 HN CYS 21 79.341 4.278 -2.215 171 HA CYS 21 HA CYS 21 76.638 4.468 -1.004 172 HB2 CYS 21 HB2 CYS 21 75.815 4.961 -3.343 173 HB3 CYS 21 HB1 CYS 21 76.729 6.260 -2.576 174 HG CYS 21 HG CYS 21 78.254 6.131 -4.513 175 H PHE 22 HN PHE 22 75.661 2.610 -0.905 176 HA PHE 22 HA PHE 22 76.141 0.518 -2.974 177 HB2 PHE 22 HB2 PHE 22 75.780 -0.064 -0.015 178 HB3 PHE 22 HB1 PHE 22 76.242 -1.183 -1.296 179 HD1 PHE 22 HD1 PHE 22 78.356 -0.222 -2.742 180 HD2 PHE 22 HD2 PHE 22 77.526 0.600 1.392 181 HE1 PHE 22 HE1 PHE 22 80.745 0.291 -2.366 182 HE2 PHE 22 HE2 PHE 22 79.920 1.119 1.769 183 HZ PHE 22 HZ PHE 22 81.534 0.963 -0.110 184 H THR 23 HN THR 23 74.208 0.006 -3.860 185 HA THR 23 HA THR 23 71.813 -0.097 -2.161 186 HB THR 23 HB THR 23 71.677 2.159 -2.956 187 HG1 THR 23 HG1 THR 23 69.696 1.686 -3.370 188 HG21 THR 23 HG21 THR 23 71.860 2.696 -5.361 189 HG22 THR 23 HG22 THR 23 72.237 1.006 -5.702 190 HG23 THR 23 HG23 THR 23 73.352 1.982 -4.743 191 H CYS 24 HN CYS 24 70.076 -1.335 -3.093 192 HA CYS 24 HA CYS 24 70.760 -2.777 -5.572 193 HB2 CYS 24 HB2 CYS 24 69.665 -4.438 -3.349 194 HB3 CYS 24 HB1 CYS 24 70.841 -4.856 -4.597 195 HG CYS 24 HG CYS 24 72.542 -4.510 -2.833 196 H THR 25 HN THR 25 69.141 -1.924 -6.741 197 HA THR 25 HA THR 25 66.471 -1.636 -5.685 198 HB THR 25 HB THR 25 67.395 -1.353 -8.546 199 HG1 THR 25 HG1 THR 25 67.412 0.371 -6.320 200 HG21 THR 25 HG21 THR 25 64.998 -1.500 -8.407 201 HG22 THR 25 HG22 THR 25 65.400 0.208 -8.592 202 HG23 THR 25 HG23 THR 25 64.958 -0.430 -7.007 203 H LEU 26 HN LEU 26 65.013 -3.169 -5.555 204 HA LEU 26 HA LEU 26 65.278 -5.622 -7.164 205 HB2 LEU 26 HB2 LEU 26 63.302 -5.110 -4.937 206 HB3 LEU 26 HB1 LEU 26 63.875 -6.657 -5.552 207 HG LEU 26 HG LEU 26 65.489 -4.618 -3.997 208 HD11 LEU 26 HD11 LEU 26 65.516 -6.312 -2.262 209 HD12 LEU 26 HD12 LEU 26 64.688 -7.461 -3.314 210 HD13 LEU 26 HD13 LEU 26 63.840 -6.028 -2.732 211 HD21 LEU 26 HD21 LEU 26 66.253 -7.214 -5.340 212 HD22 LEU 26 HD22 LEU 26 67.216 -6.501 -4.047 213 HD23 LEU 26 HD23 LEU 26 66.988 -5.623 -5.562 214 H SER 27 HN SER 27 62.797 -6.552 -7.417 215 HA SER 27 HA SER 27 61.289 -4.437 -8.853 216 HB2 SER 27 HB2 SER 27 62.342 -6.814 -9.887 217 HB3 SER 27 HB1 SER 27 60.631 -7.161 -9.669 218 HG SER 27 HG SER 27 60.838 -6.184 -11.635 219 H GLU 28 HN GLU 28 61.402 -6.123 -6.081 220 HA GLU 28 HA GLU 28 58.470 -6.033 -5.732 221 HB2 GLU 28 HB2 GLU 28 58.296 -8.232 -4.989 222 HB3 GLU 28 HB1 GLU 28 59.533 -8.413 -6.228 223 HG2 GLU 28 HG2 GLU 28 60.473 -9.562 -4.404 224 HG3 GLU 28 HG1 GLU 28 61.222 -7.971 -4.279 225 H ALA 29 HN ALA 29 57.812 -5.435 -3.669 226 HA ALA 29 HA ALA 29 59.774 -4.059 -2.065 227 HB1 ALA 29 HB1 ALA 29 57.298 -3.413 -2.459 228 HB2 ALA 29 HB2 ALA 29 57.960 -3.213 -0.837 229 HB3 ALA 29 HB3 ALA 29 56.938 -4.603 -1.207 230 H VAL 30 HN VAL 30 60.651 -4.669 -0.110 231 HA VAL 30 HA VAL 30 60.242 -7.467 0.683 232 HB VAL 30 HB VAL 30 62.364 -5.556 1.638 233 HG11 VAL 30 HG11 VAL 30 62.089 -8.570 1.577 234 HG12 VAL 30 HG12 VAL 30 62.188 -7.536 3.003 235 HG13 VAL 30 HG13 VAL 30 63.596 -7.739 1.958 236 HG21 VAL 30 HG21 VAL 30 63.814 -6.549 -0.106 237 HG22 VAL 30 HG22 VAL 30 62.461 -5.664 -0.810 238 HG23 VAL 30 HG23 VAL 30 62.424 -7.427 -0.743 239 HA PRO 31 HA PRO 31 57.939 -5.863 4.211 240 HB2 PRO 31 HB2 PRO 31 58.424 -8.196 5.864 241 HB3 PRO 31 HB1 PRO 31 56.944 -7.761 5.004 242 HG2 PRO 31 HG2 PRO 31 58.724 -9.861 4.379 243 HG3 PRO 31 HG1 PRO 31 57.349 -9.301 3.419 244 HD2 PRO 31 HD2 PRO 31 60.216 -8.903 2.930 245 HD3 PRO 31 HD1 PRO 31 58.837 -8.635 1.842 246 H VAL 32 HN VAL 32 58.711 -6.777 6.920 247 HA VAL 32 HA VAL 32 61.306 -5.350 7.175 248 HB VAL 32 HB VAL 32 58.823 -5.198 8.905 249 HG11 VAL 32 HG11 VAL 32 60.600 -5.342 10.475 250 HG12 VAL 32 HG12 VAL 32 60.325 -3.613 10.276 251 HG13 VAL 32 HG13 VAL 32 61.684 -4.385 9.459 252 HG21 VAL 32 HG21 VAL 32 60.466 -3.156 7.371 253 HG22 VAL 32 HG22 VAL 32 59.144 -2.748 8.463 254 HG23 VAL 32 HG23 VAL 32 58.820 -3.678 7.002 255 H GLY 33 HN GLY 33 62.802 -6.510 8.002 256 HA2 GLY 33 HA2 GLY 33 63.613 -7.840 9.906 257 HA3 GLY 33 HA1 GLY 33 62.161 -8.823 9.753 258 H GLU 34 HN GLU 34 62.210 -8.932 6.832 259 HA GLU 34 HA GLU 34 63.972 -11.169 6.526 260 HB2 GLU 34 HB2 GLU 34 61.771 -10.865 5.324 261 HB3 GLU 34 HB1 GLU 34 62.559 -9.639 4.334 262 HG2 GLU 34 HG2 GLU 34 62.700 -11.691 3.103 263 HG3 GLU 34 HG1 GLU 34 64.310 -11.395 3.758 264 H ALA 35 HN ALA 35 63.984 -7.808 5.409 265 HA ALA 35 HA ALA 35 66.474 -8.114 3.973 266 HB1 ALA 35 HB1 ALA 35 65.415 -5.430 4.813 267 HB2 ALA 35 HB2 ALA 35 64.480 -6.376 3.652 268 HB3 ALA 35 HB3 ALA 35 66.143 -5.916 3.283 269 H SER 36 HN SER 36 68.548 -7.552 4.702 270 HA SER 36 HA SER 36 68.811 -6.396 7.392 271 HB2 SER 36 HB2 SER 36 69.697 -9.167 6.590 272 HB3 SER 36 HB1 SER 36 70.472 -8.296 7.913 273 HG SER 36 HG SER 36 67.830 -9.230 7.663 274 H TRP 37 HN TRP 37 70.183 -4.798 7.154 275 HA TRP 37 HA TRP 37 72.429 -5.040 5.225 276 HB2 TRP 37 HB2 TRP 37 70.734 -2.755 6.208 277 HB3 TRP 37 HB1 TRP 37 72.387 -2.420 5.717 278 HD1 TRP 37 HD1 TRP 37 68.979 -3.279 4.363 279 HE1 TRP 37 HE1 TRP 37 69.037 -3.210 1.788 280 HE3 TRP 37 HE3 TRP 37 74.014 -2.861 3.594 281 HZ2 TRP 37 HZ2 TRP 37 70.953 -3.008 -0.317 282 HZ3 TRP 37 HZ3 TRP 37 74.924 -2.731 1.291 283 HH2 TRP 37 HH2 TRP 37 73.401 -2.803 -0.664 284 H TYR 38 HN TYR 38 74.425 -5.247 6.083 285 HA TYR 38 HA TYR 38 75.137 -3.857 8.528 286 HB2 TYR 38 HB2 TYR 38 75.122 -6.880 8.458 287 HB3 TYR 38 HB1 TYR 38 75.989 -5.915 9.664 288 HD1 TYR 38 HD1 TYR 38 74.690 -4.298 11.088 289 HD2 TYR 38 HD2 TYR 38 72.770 -7.254 8.648 290 HE1 TYR 38 HE1 TYR 38 72.609 -4.031 12.412 291 HE2 TYR 38 HE2 TYR 38 70.685 -6.991 9.968 292 HH TYR 38 HH TYR 38 69.626 -5.685 11.490 293 H ILE 39 HN ILE 39 77.338 -3.769 8.926 294 HA ILE 39 HA ILE 39 79.084 -4.740 6.732 295 HB ILE 39 HB ILE 39 79.719 -2.301 8.404 296 HG12 ILE 39 HG12 ILE 39 78.734 -1.169 6.107 297 HG13 ILE 39 HG11 ILE 39 77.631 -2.535 6.261 298 HG21 ILE 39 HG21 ILE 39 81.446 -3.369 6.961 299 HG22 ILE 39 HG22 ILE 39 81.074 -1.718 6.466 300 HG23 ILE 39 HG23 ILE 39 80.419 -3.078 5.559 301 HD11 ILE 39 HD11 ILE 39 78.175 -0.370 8.312 302 HD12 ILE 39 HD12 ILE 39 77.231 -1.820 8.656 303 HD13 ILE 39 HD13 ILE 39 76.667 -0.665 7.447 304 H ASN 40 HN ASN 40 80.531 -6.341 7.566 305 HA ASN 40 HA ASN 40 80.662 -6.879 10.295 306 HB2 ASN 40 HB2 ASN 40 82.613 -7.485 8.060 307 HB3 ASN 40 HB1 ASN 40 82.682 -8.201 9.668 308 HD21 ASN 40 HD21 ASN 40 82.044 -9.411 6.895 309 HD22 ASN 40 HD22 ASN 40 80.577 -10.229 7.141 310 H GLY 41 HN GLY 41 81.464 -5.649 11.821 311 HA2 GLY 41 HA2 GLY 41 83.620 -4.773 12.734 312 HA3 GLY 41 HA1 GLY 41 83.763 -3.864 11.228 313 H ALA 42 HN ALA 42 80.526 -3.913 11.814 314 HA ALA 42 HA ALA 42 80.240 -2.058 13.947 315 HB1 ALA 42 HB1 ALA 42 79.582 -0.111 12.289 316 HB2 ALA 42 HB2 ALA 42 80.685 -0.949 11.196 317 HB3 ALA 42 HB3 ALA 42 81.270 -0.350 12.747 318 H ALA 43 HN ALA 43 78.335 -2.889 14.587 319 HA ALA 43 HA ALA 43 76.332 -3.809 12.753 320 HB1 ALA 43 HB1 ALA 43 75.068 -4.372 14.672 321 HB2 ALA 43 HB2 ALA 43 75.866 -3.149 15.660 322 HB3 ALA 43 HB3 ALA 43 76.748 -4.594 15.171 323 H VAL 44 HN VAL 44 74.660 -2.708 11.873 324 HA VAL 44 HA VAL 44 74.525 0.162 12.298 325 HB VAL 44 HB VAL 44 72.706 -1.515 10.568 326 HG11 VAL 44 HG11 VAL 44 72.601 0.633 9.288 327 HG12 VAL 44 HG12 VAL 44 73.581 1.391 10.546 328 HG13 VAL 44 HG13 VAL 44 71.970 0.775 10.925 329 HG21 VAL 44 HG21 VAL 44 75.052 -2.013 9.991 330 HG22 VAL 44 HG22 VAL 44 75.399 -0.287 9.887 331 HG23 VAL 44 HG23 VAL 44 74.299 -1.040 8.731 332 H GLN 45 HN GLN 45 73.578 0.730 14.149 333 HA GLN 45 HA GLN 45 71.212 -0.675 15.130 334 HB2 GLN 45 HB2 GLN 45 73.074 1.437 16.192 335 HB3 GLN 45 HB1 GLN 45 71.492 1.244 16.938 336 HG2 GLN 45 HG2 GLN 45 71.947 -1.076 17.452 337 HG3 GLN 45 HG1 GLN 45 73.451 -1.031 16.532 338 HE21 GLN 45 HE21 GLN 45 75.319 -0.419 17.667 339 HE22 GLN 45 HE22 GLN 45 75.313 0.250 19.227 340 HA PRO 46 HA PRO 46 68.196 2.053 13.403 341 HB2 PRO 46 HB2 PRO 46 66.829 2.707 15.871 342 HB3 PRO 46 HB1 PRO 46 66.343 1.533 14.641 343 HG2 PRO 46 HG2 PRO 46 67.575 1.070 17.241 344 HG3 PRO 46 HG1 PRO 46 66.793 -0.086 16.153 345 HD2 PRO 46 HD2 PRO 46 69.540 0.042 16.643 346 HD3 PRO 46 HD1 PRO 46 68.796 -0.748 15.242 347 H ASP 47 HN ASP 47 70.043 2.956 16.203 348 HA ASP 47 HA ASP 47 69.578 5.827 15.857 349 HB2 ASP 47 HB2 ASP 47 71.236 4.247 17.836 350 HB3 ASP 47 HB1 ASP 47 71.082 6.003 17.842 351 H ASP 48 HN ASP 48 71.217 3.775 14.098 352 HA ASP 48 HA ASP 48 73.883 4.174 13.989 353 HB2 ASP 48 HB2 ASP 48 73.715 4.144 11.505 354 HB3 ASP 48 HB1 ASP 48 72.749 2.889 12.274 355 H SER 49 HN SER 49 74.784 6.021 14.664 356 HA SER 49 HA SER 49 73.853 8.616 13.927 357 HB2 SER 49 HB2 SER 49 74.988 8.244 16.043 358 HB3 SER 49 HB1 SER 49 76.447 7.728 15.199 359 HG SER 49 HG SER 49 75.738 10.048 14.177 360 H ASP 50 HN ASP 50 76.672 6.665 12.910 361 HA ASP 50 HA ASP 50 77.456 8.708 10.964 362 HB2 ASP 50 HB2 ASP 50 78.678 6.086 11.828 363 HB3 ASP 50 HB1 ASP 50 79.340 7.077 10.530 364 H TRP 51 HN TRP 51 75.900 5.538 10.950 365 HA TRP 51 HA TRP 51 76.057 5.478 7.994 366 HB2 TRP 51 HB2 TRP 51 75.319 3.370 10.025 367 HB3 TRP 51 HB1 TRP 51 75.075 3.166 8.292 368 HD1 TRP 51 HD1 TRP 51 77.280 3.139 6.740 369 HE1 TRP 51 HE1 TRP 51 79.694 2.425 7.280 370 HE3 TRP 51 HE3 TRP 51 77.123 3.287 11.842 371 HZ2 TRP 51 HZ2 TRP 51 81.343 1.970 9.577 372 HZ3 TRP 51 HZ3 TRP 51 79.125 2.701 13.180 373 HH2 TRP 51 HH2 TRP 51 81.232 2.042 12.054 374 H THR 52 HN THR 52 74.261 5.344 6.721 375 HA THR 52 HA THR 52 71.637 5.891 8.000 376 HB THR 52 HB THR 52 72.648 6.940 5.338 377 HG1 THR 52 HG1 THR 52 72.086 8.882 6.969 378 HG21 THR 52 HG21 THR 52 70.252 6.628 5.322 379 HG22 THR 52 HG22 THR 52 70.573 8.351 5.532 380 HG23 THR 52 HG23 THR 52 70.100 7.364 6.915 381 H VAL 53 HN VAL 53 70.157 4.369 7.544 382 HA VAL 53 HA VAL 53 70.477 2.736 5.091 383 HB VAL 53 HB VAL 53 71.175 1.280 6.882 384 HG11 VAL 53 HG11 VAL 53 68.613 1.819 8.391 385 HG12 VAL 53 HG12 VAL 53 70.050 2.800 8.672 386 HG13 VAL 53 HG13 VAL 53 70.095 1.065 8.971 387 HG21 VAL 53 HG21 VAL 53 68.238 0.664 6.487 388 HG22 VAL 53 HG22 VAL 53 69.572 -0.473 6.694 389 HG23 VAL 53 HG23 VAL 53 69.428 0.458 5.203 390 H THR 54 HN THR 54 68.706 2.736 3.861 391 HA THR 54 HA THR 54 66.090 3.271 5.104 392 HB THR 54 HB THR 54 65.578 4.980 3.484 393 HG1 THR 54 HG1 THR 54 67.676 3.967 2.242 394 HG21 THR 54 HG21 THR 54 68.239 5.571 4.780 395 HG22 THR 54 HG22 THR 54 66.689 5.632 5.617 396 HG23 THR 54 HG23 THR 54 67.026 6.757 4.300 397 H ALA 55 HN ALA 55 64.318 2.582 3.898 398 HA ALA 55 HA ALA 55 64.886 1.002 1.462 399 HB1 ALA 55 HB1 ALA 55 63.425 -0.781 2.319 400 HB2 ALA 55 HB2 ALA 55 63.220 0.104 3.830 401 HB3 ALA 55 HB3 ALA 55 64.804 -0.532 3.389 402 H ASP 56 HN ASP 56 63.845 2.230 0.003 403 HA ASP 56 HA ASP 56 61.096 3.173 0.580 404 HB2 ASP 56 HB2 ASP 56 62.926 4.797 -0.208 405 HB3 ASP 56 HB1 ASP 56 62.814 3.983 -1.767 406 H GLY 57 HN GLY 57 59.645 1.669 -0.040 407 HA2 GLY 57 HA2 GLY 57 58.520 0.165 -1.382 408 HA3 GLY 57 HA1 GLY 57 59.271 0.996 -2.744 409 H SER 58 HN SER 58 60.451 -0.273 -3.992 410 HA SER 58 HA SER 58 61.671 -2.729 -2.867 411 HB2 SER 58 HB2 SER 58 61.355 -2.136 -5.802 412 HB3 SER 58 HB1 SER 58 61.468 -3.694 -4.991 413 HG SER 58 HG SER 58 59.302 -2.032 -5.383 414 H HIS 59 HN HIS 59 63.041 -0.427 -2.258 415 HA HIS 59 HA HIS 59 65.506 -0.785 -3.808 416 HB2 HIS 59 HB2 HIS 59 64.492 1.074 -4.941 417 HB3 HIS 59 HB1 HIS 59 64.074 1.849 -3.417 418 HD1 HIS 59 HD1 HIS 59 65.509 3.902 -3.414 419 HD2 HIS 59 HD2 HIS 59 67.682 0.492 -4.432 420 HE1 HIS 59 HE1 HIS 59 67.932 4.616 -3.556 421 H HIS 60 HN HIS 60 67.352 -0.614 -2.595 422 HA HIS 60 HA HIS 60 67.042 0.324 0.218 423 HB2 HIS 60 HB2 HIS 60 68.568 -2.082 -0.810 424 HB3 HIS 60 HB1 HIS 60 68.636 -1.478 0.847 425 HD1 HIS 60 HD1 HIS 60 66.206 -2.991 -1.641 426 HD2 HIS 60 HD2 HIS 60 66.443 -2.191 2.445 427 HE1 HIS 60 HE1 HIS 60 64.204 -4.116 -0.576 428 H ALA 61 HN ALA 61 68.677 1.649 0.981 429 HA ALA 61 HA ALA 61 71.160 1.836 -0.585 430 HB1 ALA 61 HB1 ALA 61 69.428 3.453 -1.530 431 HB2 ALA 61 HB2 ALA 61 70.986 4.136 -1.069 432 HB3 ALA 61 HB3 ALA 61 69.589 4.342 -0.014 433 H LEU 62 HN LEU 62 72.619 1.478 0.908 434 HA LEU 62 HA LEU 62 72.485 2.921 3.482 435 HB2 LEU 62 HB2 LEU 62 72.428 0.417 3.592 436 HB3 LEU 62 HB1 LEU 62 74.025 0.392 2.856 437 HG LEU 62 HG LEU 62 73.467 1.991 5.365 438 HD11 LEU 62 HD11 LEU 62 72.811 -0.170 6.047 439 HD12 LEU 62 HD12 LEU 62 74.493 -0.047 6.556 440 HD13 LEU 62 HD13 LEU 62 74.080 -0.950 5.100 441 HD21 LEU 62 HD21 LEU 62 75.593 2.620 4.693 442 HD22 LEU 62 HD22 LEU 62 75.911 1.102 3.858 443 HD23 LEU 62 HD23 LEU 62 76.023 1.186 5.612 444 H LEU 63 HN LEU 63 74.018 4.473 3.807 445 HA LEU 63 HA LEU 63 76.542 4.314 2.257 446 HB2 LEU 63 HB2 LEU 63 76.371 6.791 1.861 447 HB3 LEU 63 HB1 LEU 63 75.185 5.816 0.981 448 HG LEU 63 HG LEU 63 73.778 6.317 3.297 449 HD11 LEU 63 HD11 LEU 63 74.235 8.340 4.282 450 HD12 LEU 63 HD12 LEU 63 74.960 9.026 2.828 451 HD13 LEU 63 HD13 LEU 63 75.877 7.901 3.826 452 HD21 LEU 63 HD21 LEU 63 73.893 8.201 0.922 453 HD22 LEU 63 HD22 LEU 63 72.535 7.980 2.024 454 HD23 LEU 63 HD23 LEU 63 73.015 6.671 0.946 455 H LEU 64 HN LEU 64 78.315 5.102 3.171 456 HA LEU 64 HA LEU 64 78.176 6.066 5.961 457 HB2 LEU 64 HB2 LEU 64 79.633 4.100 5.611 458 HB3 LEU 64 HB1 LEU 64 80.495 4.958 4.334 459 HG LEU 64 HG LEU 64 81.257 6.642 5.956 460 HD11 LEU 64 HD11 LEU 64 80.880 5.931 8.454 461 HD12 LEU 64 HD12 LEU 64 79.483 5.066 7.815 462 HD13 LEU 64 HD13 LEU 64 79.604 6.813 7.613 463 HD21 LEU 64 HD21 LEU 64 82.680 5.083 7.355 464 HD22 LEU 64 HD22 LEU 64 82.705 4.746 5.625 465 HD23 LEU 64 HD23 LEU 64 81.731 3.745 6.701 466 H ARG 65 HN ARG 65 78.628 8.231 6.280 467 HA ARG 65 HA ARG 65 79.011 9.864 3.989 468 HB2 ARG 65 HB2 ARG 65 79.106 10.445 6.957 469 HB3 ARG 65 HB1 ARG 65 79.213 11.693 5.722 470 HG2 ARG 65 HG2 ARG 65 76.923 9.723 5.759 471 HG3 ARG 65 HG1 ARG 65 76.882 11.177 6.754 472 HD2 ARG 65 HD2 ARG 65 77.079 11.039 3.730 473 HD3 ARG 65 HD1 ARG 65 75.758 11.688 4.689 474 HE ARG 65 HE ARG 65 78.191 13.052 4.008 475 HH11 ARG 65 HH11 ARG 65 75.142 13.519 5.198 476 HH12 ARG 65 HH12 ARG 65 75.549 14.744 6.352 477 HH21 ARG 65 HH21 ARG 65 78.971 14.288 6.024 478 HH22 ARG 65 HH22 ARG 65 77.719 15.185 6.816 479 H SER 66 HN SER 66 80.916 11.014 6.561 480 HA SER 66 HA SER 66 83.294 10.951 4.924 481 HB2 SER 66 HB2 SER 66 84.309 12.224 6.766 482 HB3 SER 66 HB1 SER 66 82.769 12.922 6.274 483 HG SER 66 HG SER 66 83.481 12.112 8.670 484 H ALA 67 HN ALA 67 84.036 8.873 4.740 485 HA ALA 67 HA ALA 67 84.257 7.031 6.887 486 HB1 ALA 67 HB1 ALA 67 85.610 5.720 5.322 487 HB2 ALA 67 HB2 ALA 67 85.750 7.123 4.259 488 HB3 ALA 67 HB3 ALA 67 84.179 6.361 4.516 489 H GLN 68 HN GLN 68 85.953 6.474 8.176 490 HA GLN 68 HA GLN 68 88.464 8.030 7.987 491 HB2 GLN 68 HB2 GLN 68 86.692 7.601 10.390 492 HB3 GLN 68 HB1 GLN 68 88.423 7.854 10.594 493 HG2 GLN 68 HG2 GLN 68 86.672 9.732 8.991 494 HG3 GLN 68 HG1 GLN 68 86.986 9.950 10.712 495 HE21 GLN 68 HE21 GLN 68 89.670 9.403 10.990 496 HE22 GLN 68 HE22 GLN 68 90.598 10.441 10.019 497 HA PRO 69 HA PRO 69 90.323 4.009 7.997 498 HB2 PRO 69 HB2 PRO 69 92.493 4.652 9.805 499 HB3 PRO 69 HB1 PRO 69 92.542 4.528 8.043 500 HG2 PRO 69 HG2 PRO 69 92.491 6.912 9.710 501 HG3 PRO 69 HG1 PRO 69 92.836 6.764 7.982 502 HD2 PRO 69 HD2 PRO 69 90.515 7.891 9.083 503 HD3 PRO 69 HD1 PRO 69 90.694 7.350 7.402 504 H HIS 70 HN HIS 70 88.518 3.149 9.169 505 HA HIS 70 HA HIS 70 89.142 1.665 11.442 506 HB2 HIS 70 HB2 HIS 70 89.138 3.698 12.764 507 HB3 HIS 70 HB1 HIS 70 87.602 4.202 12.063 508 HD1 HIS 70 HD1 HIS 70 89.066 1.515 14.311 509 HD2 HIS 70 HD2 HIS 70 85.350 3.128 13.326 510 HE1 HIS 70 HE1 HIS 70 87.387 0.454 15.882 511 H HIS 71 HN HIS 71 86.775 3.231 9.424 512 HA HIS 71 HA HIS 71 84.584 1.514 10.195 513 HB2 HIS 71 HB2 HIS 71 84.885 3.454 7.893 514 HB3 HIS 71 HB1 HIS 71 83.384 2.664 8.374 515 HD1 HIS 71 HD1 HIS 71 86.093 4.628 10.230 516 HD2 HIS 71 HD2 HIS 71 81.942 4.369 9.991 517 HE1 HIS 71 HE1 HIS 71 85.176 6.350 11.843 518 H ALA 72 HN ALA 72 87.301 1.075 8.291 519 HA ALA 72 HA ALA 72 86.406 -0.217 6.000 520 HB1 ALA 72 HB1 ALA 72 88.848 -0.633 7.719 521 HB2 ALA 72 HB2 ALA 72 88.729 0.162 6.150 522 HB3 ALA 72 HB3 ALA 72 88.568 -1.590 6.261 523 H GLY 73 HN GLY 73 85.944 -2.372 5.499 524 HA2 GLY 73 HA2 GLY 73 85.994 -4.601 7.112 525 HA3 GLY 73 HA1 GLY 73 84.485 -3.788 7.520 526 H GLU 74 HN GLU 74 83.570 -5.841 6.670 527 HA GLU 74 HA GLU 74 83.488 -5.985 3.711 528 HB2 GLU 74 HB2 GLU 74 84.113 -8.041 4.945 529 HB3 GLU 74 HB1 GLU 74 82.564 -7.992 5.781 530 HG2 GLU 74 HG2 GLU 74 81.375 -8.196 3.645 531 HG3 GLU 74 HG1 GLU 74 82.908 -8.180 2.774 532 H VAL 75 HN VAL 75 81.436 -6.175 2.641 533 HA VAL 75 HA VAL 75 79.135 -5.097 4.197 534 HB VAL 75 HB VAL 75 79.835 -4.624 1.295 535 HG11 VAL 75 HG11 VAL 75 77.977 -2.914 1.502 536 HG12 VAL 75 HG12 VAL 75 77.589 -3.627 3.067 537 HG13 VAL 75 HG13 VAL 75 77.440 -4.590 1.599 538 HG21 VAL 75 HG21 VAL 75 79.770 -2.478 3.406 539 HG22 VAL 75 HG22 VAL 75 80.634 -2.505 1.871 540 HG23 VAL 75 HG23 VAL 75 81.219 -3.470 3.222 541 H THR 76 HN THR 76 77.588 -6.627 4.406 542 HA THR 76 HA THR 76 76.923 -8.284 2.043 543 HB THR 76 HB THR 76 77.107 -9.287 4.893 544 HG1 THR 76 HG1 THR 76 78.965 -9.022 3.167 545 HG21 THR 76 HG21 THR 76 75.290 -10.446 3.950 546 HG22 THR 76 HG22 THR 76 76.658 -11.504 3.609 547 HG23 THR 76 HG23 THR 76 76.010 -10.462 2.343 548 H PHE 77 HN PHE 77 74.827 -8.382 1.560 549 HA PHE 77 HA PHE 77 72.828 -7.516 3.580 550 HB2 PHE 77 HB2 PHE 77 73.038 -5.642 2.134 551 HB3 PHE 77 HB1 PHE 77 73.091 -6.646 0.697 552 HD1 PHE 77 HD1 PHE 77 70.907 -5.611 3.527 553 HD2 PHE 77 HD2 PHE 77 71.065 -7.196 -0.456 554 HE1 PHE 77 HE1 PHE 77 68.448 -5.384 3.338 555 HE2 PHE 77 HE2 PHE 77 68.613 -6.983 -0.645 556 HZ PHE 77 HZ PHE 77 67.300 -6.072 1.251 557 H ALA 78 HN ALA 78 71.112 -8.823 3.774 558 HA ALA 78 HA ALA 78 70.723 -10.949 1.742 559 HB1 ALA 78 HB1 ALA 78 71.914 -11.822 3.742 560 HB2 ALA 78 HB2 ALA 78 70.328 -12.557 3.514 561 HB3 ALA 78 HB3 ALA 78 70.553 -11.309 4.738 562 H CYS 79 HN CYS 79 68.634 -11.523 1.297 563 HA CYS 79 HA CYS 79 66.452 -10.497 2.917 564 HB2 CYS 79 HB2 CYS 79 65.439 -9.286 0.972 565 HB3 CYS 79 HB1 CYS 79 66.924 -8.548 1.575 566 HG CYS 79 HG CYS 79 67.431 -10.517 -0.710 567 H ARG 80 HN ARG 80 64.488 -10.777 0.811 568 HA ARG 80 HA ARG 80 63.796 -13.429 1.082 569 HB2 ARG 80 HB2 ARG 80 62.405 -13.031 -1.048 570 HB3 ARG 80 HB1 ARG 80 62.092 -12.003 0.345 571 HG2 ARG 80 HG2 ARG 80 63.438 -10.214 -0.611 572 HG3 ARG 80 HG1 ARG 80 63.898 -11.248 -1.968 573 HD2 ARG 80 HD2 ARG 80 62.043 -9.764 -2.613 574 HD3 ARG 80 HD1 ARG 80 61.526 -11.450 -2.622 575 HE ARG 80 HE ARG 80 61.026 -9.786 -0.229 576 HH11 ARG 80 HH11 ARG 80 59.786 -11.154 -3.142 577 HH12 ARG 80 HH12 ARG 80 58.191 -11.403 -2.516 578 HH21 ARG 80 HH21 ARG 80 58.974 -10.293 0.672 579 HH22 ARG 80 HH22 ARG 80 57.733 -10.922 -0.361 580 H ASP 81 HN ASP 81 65.670 -14.674 0.792 581 HA ASP 81 HA ASP 81 67.146 -16.023 -0.326 582 HB2 ASP 81 HB2 ASP 81 64.841 -15.888 -2.267 583 HB3 ASP 81 HB1 ASP 81 66.227 -16.951 -2.502 584 H ALA 82 HN ALA 82 66.697 -12.925 -1.315 585 HA ALA 82 HA ALA 82 68.426 -13.101 -3.684 586 HB1 ALA 82 HB1 ALA 82 66.508 -11.142 -2.597 587 HB2 ALA 82 HB2 ALA 82 67.002 -11.410 -4.265 588 HB3 ALA 82 HB3 ALA 82 67.987 -10.400 -3.207 589 H VAL 83 HN VAL 83 70.394 -13.696 -2.839 590 HA VAL 83 HA VAL 83 71.536 -12.352 -0.553 591 HB VAL 83 HB VAL 83 71.968 -14.752 -1.117 592 HG11 VAL 83 HG11 VAL 83 73.817 -13.660 -3.244 593 HG12 VAL 83 HG12 VAL 83 72.187 -14.219 -3.619 594 HG13 VAL 83 HG13 VAL 83 73.372 -15.340 -2.948 595 HG21 VAL 83 HG21 VAL 83 73.482 -13.438 0.357 596 HG22 VAL 83 HG22 VAL 83 74.417 -12.957 -1.061 597 HG23 VAL 83 HG23 VAL 83 74.365 -14.651 -0.569 598 H ALA 84 HN ALA 84 73.272 -10.952 -0.530 599 HA ALA 84 HA ALA 84 74.171 -9.799 -3.099 600 HB1 ALA 84 HB1 ALA 84 74.012 -7.531 -1.885 601 HB2 ALA 84 HB2 ALA 84 72.942 -8.371 -0.774 602 HB3 ALA 84 HB3 ALA 84 72.507 -8.248 -2.472 603 H SER 85 HN SER 85 76.077 -8.377 -2.790 604 HA SER 85 HA SER 85 77.659 -8.834 -0.384 605 HB2 SER 85 HB2 SER 85 79.580 -9.703 -1.759 606 HB3 SER 85 HB1 SER 85 78.228 -10.821 -1.608 607 HG SER 85 HG SER 85 77.662 -10.432 -3.666 608 H ALA 86 HN ALA 86 79.820 -7.767 -0.612 609 HA ALA 86 HA ALA 86 80.455 -5.871 -2.542 610 HB1 ALA 86 HB1 ALA 86 78.749 -4.371 -2.176 611 HB2 ALA 86 HB2 ALA 86 79.806 -3.823 -0.885 612 HB3 ALA 86 HB3 ALA 86 78.471 -4.925 -0.533 613 H ARG 87 HN ARG 87 82.007 -4.153 -1.610 614 HA ARG 87 HA ARG 87 83.400 -5.148 0.797 615 HB2 ARG 87 HB2 ARG 87 84.488 -6.148 -1.176 616 HB3 ARG 87 HB1 ARG 87 84.746 -4.537 -1.839 617 HG2 ARG 87 HG2 ARG 87 86.111 -3.947 0.137 618 HG3 ARG 87 HG1 ARG 87 85.855 -5.566 0.790 619 HD2 ARG 87 HD2 ARG 87 86.880 -6.486 -1.320 620 HD3 ARG 87 HD1 ARG 87 87.281 -4.832 -1.777 621 HE ARG 87 HE ARG 87 88.282 -5.274 0.806 622 HH11 ARG 87 HH21 ARG 87 90.022 -4.240 -1.353 623 HH12 ARG 87 HH22 ARG 87 91.131 -5.543 -1.625 624 HH21 ARG 87 HH11 ARG 87 89.161 -7.902 -0.016 625 HH22 ARG 87 HH12 ARG 87 90.640 -7.619 -0.873 626 H LEU 88 HN LEU 88 84.184 -3.620 2.058 627 HA LEU 88 HA LEU 88 84.123 -0.797 1.128 628 HB2 LEU 88 HB2 LEU 88 82.378 -1.195 2.789 629 HB3 LEU 88 HB1 LEU 88 83.544 -1.932 3.883 630 HG LEU 88 HG LEU 88 84.748 0.207 4.086 631 HD11 LEU 88 HD11 LEU 88 84.514 1.309 2.022 632 HD12 LEU 88 HD12 LEU 88 83.442 2.241 3.063 633 HD13 LEU 88 HD13 LEU 88 82.772 1.038 1.959 634 HD21 LEU 88 HD21 LEU 88 83.018 1.448 5.294 635 HD22 LEU 88 HD22 LEU 88 82.804 -0.280 5.573 636 HD23 LEU 88 HD23 LEU 88 81.752 0.568 4.439 637 H THR 89 HN THR 89 86.056 0.210 1.160 638 HA THR 89 HA THR 89 88.048 -0.570 3.164 639 HB THR 89 HB THR 89 88.642 -1.982 1.287 640 HG1 THR 89 HG1 THR 89 90.209 -0.459 2.464 641 HG21 THR 89 HG21 THR 89 87.445 -0.565 -0.420 642 HG22 THR 89 HG22 THR 89 89.049 -1.101 -0.922 643 HG23 THR 89 HG23 THR 89 88.808 0.553 -0.361 644 H VAL 90 HN VAL 90 89.690 0.971 3.527 645 HA VAL 90 HA VAL 90 88.971 3.699 2.586 646 HB VAL 90 HB VAL 90 90.134 2.719 5.203 647 HG11 VAL 90 HG11 VAL 90 89.942 5.504 4.040 648 HG12 VAL 90 HG12 VAL 90 91.351 4.710 4.742 649 HG13 VAL 90 HG13 VAL 90 90.023 5.223 5.782 650 HG21 VAL 90 HG21 VAL 90 87.687 2.575 4.994 651 HG22 VAL 90 HG22 VAL 90 87.621 4.265 4.504 652 HG23 VAL 90 HG23 VAL 90 88.134 3.846 6.133 653 H LEU 91 HN LEU 91 90.404 4.609 1.295 654 HA LEU 91 HA LEU 91 93.014 3.463 0.877 655 HB2 LEU 91 HB2 LEU 91 91.780 4.367 -1.011 656 HB3 LEU 91 HB1 LEU 91 91.705 5.951 -0.246 657 HG LEU 91 HG LEU 91 94.127 6.197 -0.404 658 HD11 LEU 91 HD11 LEU 91 93.975 3.322 -1.308 659 HD12 LEU 91 HD12 LEU 91 95.046 4.052 -0.112 660 HD13 LEU 91 HD13 LEU 91 95.314 4.342 -1.830 661 HD21 LEU 91 HD21 LEU 91 94.336 6.260 -2.854 662 HD22 LEU 91 HD22 LEU 91 92.732 6.807 -2.363 663 HD23 LEU 91 HD23 LEU 91 92.950 5.180 -3.011 664 H GLY 92 HN GLY 92 94.868 3.999 1.820 665 HA2 GLY 92 HA2 GLY 92 96.068 6.291 2.407 666 HA3 GLY 92 HA1 GLY 92 94.923 6.207 3.741 667 H LEU 93 HN LEU 93 96.753 3.591 2.152 668 HA LEU 93 HA LEU 93 97.924 2.879 4.761 669 HB2 LEU 93 HB2 LEU 93 97.608 1.177 2.262 670 HB3 LEU 93 HB1 LEU 93 98.239 0.634 3.808 671 HG LEU 93 HG LEU 93 95.938 -0.080 3.636 672 HD11 LEU 93 HD11 LEU 93 95.767 2.301 5.470 673 HD12 LEU 93 HD12 LEU 93 96.903 0.996 5.817 674 HD13 LEU 93 HD13 LEU 93 95.177 0.655 5.716 675 HD21 LEU 93 HD21 LEU 93 94.180 1.201 2.896 676 HD22 LEU 93 HD22 LEU 93 95.464 2.056 2.047 677 HD23 LEU 93 HD23 LEU 93 94.826 2.695 3.561 678 HA PRO 94 HA PRO 94 101.822 3.917 2.953 679 HB2 PRO 94 HB2 PRO 94 103.376 1.683 3.942 680 HB3 PRO 94 HB1 PRO 94 103.244 3.312 4.623 681 HG2 PRO 94 HG2 PRO 94 102.263 1.022 5.817 682 HG3 PRO 94 HG1 PRO 94 101.708 2.667 6.169 683 HD2 PRO 94 HD2 PRO 94 100.444 0.578 4.429 684 HD3 PRO 94 HD1 PRO 94 99.678 1.776 5.496 685 H ASP 95 HN ASP 95 100.094 2.066 1.366 686 HA ASP 95 HA ASP 95 101.667 0.137 0.026 687 HB2 ASP 95 HB2 ASP 95 99.204 0.198 -0.081 688 HB3 ASP 95 HB1 ASP 95 99.282 1.698 -0.999 689 H GLY 96 HN GLY 96 103.010 0.269 -1.723 690 HA2 GLY 96 HA2 GLY 96 104.039 2.909 -2.385 691 HA3 GLY 96 HA1 GLY 96 104.691 1.365 -2.926 692 H LEU 97 HN LEU 97 101.614 3.150 -3.275 693 HA LEU 97 HA LEU 97 101.266 2.146 -5.967 694 HB2 LEU 97 HB2 LEU 97 99.402 4.255 -5.539 695 HB3 LEU 97 HB1 LEU 97 99.091 2.526 -5.446 696 HG LEU 97 HG LEU 97 99.922 2.639 -3.028 697 HD11 LEU 97 HD11 LEU 97 99.340 5.594 -3.296 698 HD12 LEU 97 HD12 LEU 97 100.978 4.971 -3.494 699 HD13 LEU 97 HD13 LEU 97 100.132 4.745 -1.964 700 HD21 LEU 97 HD21 LEU 97 97.768 3.426 -2.211 701 HD22 LEU 97 HD22 LEU 97 97.526 2.513 -3.700 702 HD23 LEU 97 HD23 LEU 97 97.470 4.275 -3.729 703 H GLU 98 HN GLU 98 100.790 3.724 -7.762 704 HA GLU 98 HA GLU 98 103.080 5.368 -8.154 705 HB2 GLU 98 HB2 GLU 98 100.495 5.152 -9.712 706 HB3 GLU 98 HB1 GLU 98 101.922 6.033 -10.256 707 HG2 GLU 98 HG2 GLU 98 103.254 3.956 -10.126 708 HG3 GLU 98 HG1 GLU 98 101.818 3.077 -9.602 709 H HIS 99 HN HIS 99 103.406 7.437 -7.628 710 HA HIS 99 HA HIS 99 101.124 9.038 -6.625 711 HB2 HIS 99 HB2 HIS 99 104.104 9.381 -6.194 712 HB3 HIS 99 HB1 HIS 99 102.838 10.389 -5.492 713 HD1 HIS 99 HD1 HIS 99 101.103 9.094 -3.867 714 HD2 HIS 99 HD2 HIS 99 104.627 7.054 -4.768 715 HE1 HIS 99 HE1 HIS 99 101.324 7.245 -2.148 716 H HIS 100 HN HIS 100 100.440 10.722 -7.768 717 HA HIS 100 HA HIS 100 102.139 11.774 -9.970 718 HB2 HIS 100 HB2 HIS 100 100.014 12.405 -11.056 719 HB3 HIS 100 HB1 HIS 100 100.087 10.669 -10.751 720 HD1 HIS 100 HD1 HIS 100 99.103 10.156 -8.095 721 HD2 HIS 100 HD2 HIS 100 97.560 13.363 -10.263 722 HE1 HIS 100 HE1 HIS 100 96.871 10.727 -7.038 723 H HIS 101 HN HIS 101 103.146 13.484 -8.963 724 HA HIS 101 HA HIS 101 101.468 15.454 -7.526 725 HB2 HIS 101 HB2 HIS 101 103.624 14.436 -6.515 726 HB3 HIS 101 HB1 HIS 101 104.485 15.464 -7.657 727 HD1 HIS 101 HD1 HIS 101 102.213 15.622 -4.658 728 HD2 HIS 101 HD2 HIS 101 104.422 18.234 -7.041 729 HE1 HIS 101 HE1 HIS 101 102.167 17.871 -3.492 730 H HIS 102 HN HIS 102 101.028 17.382 -8.418 731 HA HIS 102 HA HIS 102 102.178 18.008 -11.050 732 HB2 HIS 102 HB2 HIS 102 99.686 18.041 -10.602 733 HB3 HIS 102 HB1 HIS 102 99.965 19.458 -9.592 734 HD1 HIS 102 HD1 HIS 102 100.863 18.335 -13.140 735 HD2 HIS 102 HD2 HIS 102 99.824 21.791 -11.049 736 HE1 HIS 102 HE1 HIS 102 100.737 20.199 -14.850 737 H HIS 103 HN HIS 103 104.210 18.777 -10.541 738 HA HIS 103 HA HIS 103 104.443 21.093 -8.733 739 HB2 HIS 103 HB2 HIS 103 106.009 19.081 -8.612 740 HB3 HIS 103 HB1 HIS 103 106.673 19.625 -10.152 741 HD1 HIS 103 HD1 HIS 103 106.075 20.959 -6.634 742 HD2 HIS 103 HD2 HIS 103 108.598 21.611 -9.887 743 HE1 HIS 103 HE1 HIS 103 107.799 22.648 -5.873 744 H HIS 104 HN HIS 104 104.297 20.239 -12.055 745 HA HIS 104 HA HIS 104 105.818 22.161 -13.342 746 HB2 HIS 104 HB2 HIS 104 103.062 21.145 -14.088 747 HB3 HIS 104 HB1 HIS 104 104.149 22.010 -15.175 748 HD1 HIS 104 HD1 HIS 104 103.832 18.752 -13.288 749 HD2 HIS 104 HD2 HIS 104 106.245 20.446 -16.233 750 HE1 HIS 104 HE1 HIS 104 105.268 16.877 -14.205 Start of MODEL 4 1 H1 TRP 1 HT1 TRP 1 65.419 -19.976 -6.327 2 H2 TRP 1 HT2 TRP 1 64.583 -19.138 -7.547 3 H3 TRP 1 HT3 TRP 1 64.733 -18.460 -5.997 4 HA TRP 1 HA TRP 1 67.306 -18.867 -6.658 5 HB2 TRP 1 HB2 TRP 1 65.753 -18.053 -9.136 6 HB3 TRP 1 HB1 TRP 1 67.504 -17.939 -8.969 7 HD1 TRP 1 HD1 TRP 1 64.756 -20.342 -9.763 8 HE1 TRP 1 HE1 TRP 1 65.741 -22.686 -10.191 9 HE3 TRP 1 HE3 TRP 1 69.545 -19.600 -8.152 10 HZ2 TRP 1 HZ2 TRP 1 68.230 -24.062 -9.894 11 HZ3 TRP 1 HZ3 TRP 1 71.202 -21.443 -8.237 12 HH2 TRP 1 HH2 TRP 1 70.551 -23.671 -9.105 13 H ARG 2 HN ARG 2 67.178 -16.311 -8.460 14 HA ARG 2 HA ARG 2 66.854 -14.427 -6.214 15 HB2 ARG 2 HB2 ARG 2 68.212 -14.124 -8.901 16 HB3 ARG 2 HB1 ARG 2 68.157 -12.890 -7.646 17 HG2 ARG 2 HG2 ARG 2 69.943 -13.824 -6.578 18 HG3 ARG 2 HG1 ARG 2 69.109 -15.370 -6.459 19 HD2 ARG 2 HD2 ARG 2 71.169 -15.702 -7.684 20 HD3 ARG 2 HD1 ARG 2 69.822 -15.877 -8.804 21 HE ARG 2 HE ARG 2 70.777 -13.190 -8.789 22 HH11 ARG 2 HH11 ARG 2 73.063 -15.409 -9.076 23 HH12 ARG 2 HH12 ARG 2 73.294 -15.341 -10.792 24 HH21 ARG 2 HH21 ARG 2 70.413 -13.497 -11.375 25 HH22 ARG 2 HH22 ARG 2 71.798 -14.251 -12.091 26 H LEU 3 HN LEU 3 65.426 -12.758 -6.268 27 HA LEU 3 HA LEU 3 63.181 -12.901 -7.994 28 HB2 LEU 3 HB2 LEU 3 64.011 -11.390 -5.658 29 HB3 LEU 3 HB1 LEU 3 63.259 -10.302 -6.809 30 HG LEU 3 HG LEU 3 61.605 -11.200 -5.243 31 HD11 LEU 3 HD11 LEU 3 59.943 -11.553 -6.791 32 HD12 LEU 3 HD12 LEU 3 60.904 -12.662 -7.761 33 HD13 LEU 3 HD13 LEU 3 61.188 -10.924 -7.863 34 HD21 LEU 3 HD21 LEU 3 63.004 -13.448 -5.078 35 HD22 LEU 3 HD22 LEU 3 61.921 -13.970 -6.369 36 HD23 LEU 3 HD23 LEU 3 61.260 -13.460 -4.819 37 H GLU 4 HN GLU 4 62.650 -10.257 -8.651 38 HA GLU 4 HA GLU 4 63.911 -9.976 -11.166 39 HB2 GLU 4 HB2 GLU 4 62.267 -8.040 -9.524 40 HB3 GLU 4 HB1 GLU 4 62.717 -7.788 -11.210 41 HG2 GLU 4 HG2 GLU 4 61.147 -10.176 -10.199 42 HG3 GLU 4 HG1 GLU 4 60.419 -8.751 -10.933 43 H ILE 5 HN ILE 5 64.879 -9.171 -8.048 44 HA ILE 5 HA ILE 5 66.113 -6.789 -7.991 45 HB ILE 5 HB ILE 5 67.694 -7.738 -6.397 46 HG12 ILE 5 HG12 ILE 5 66.881 -10.547 -6.540 47 HG13 ILE 5 HG11 ILE 5 67.574 -10.064 -8.077 48 HG21 ILE 5 HG21 ILE 5 65.016 -7.676 -6.090 49 HG22 ILE 5 HG22 ILE 5 66.074 -8.314 -4.837 50 HG23 ILE 5 HG23 ILE 5 65.245 -9.412 -5.937 51 HD11 ILE 5 HD11 ILE 5 69.533 -9.124 -6.837 52 HD12 ILE 5 HD12 ILE 5 69.341 -10.861 -6.617 53 HD13 ILE 5 HD13 ILE 5 68.835 -9.744 -5.344 54 H LEU 6 HN LEU 6 66.675 -6.561 -10.424 55 HA LEU 6 HA LEU 6 69.121 -7.836 -11.233 56 HB2 LEU 6 HB2 LEU 6 67.277 -5.871 -12.540 57 HB3 LEU 6 HB1 LEU 6 68.845 -6.230 -13.258 58 HG LEU 6 HG LEU 6 66.788 -8.339 -12.532 59 HD11 LEU 6 HD11 LEU 6 67.472 -7.260 -15.272 60 HD12 LEU 6 HD12 LEU 6 66.060 -6.755 -14.341 61 HD13 LEU 6 HD13 LEU 6 66.215 -8.429 -14.869 62 HD21 LEU 6 HD21 LEU 6 69.547 -8.409 -13.699 63 HD22 LEU 6 HD22 LEU 6 68.361 -9.529 -14.367 64 HD23 LEU 6 HD23 LEU 6 68.737 -9.575 -12.648 65 H GLU 7 HN GLU 7 68.581 -4.496 -9.834 66 HA GLU 7 HA GLU 7 71.380 -3.938 -10.638 67 HB2 GLU 7 HB2 GLU 7 69.140 -2.161 -9.709 68 HB3 GLU 7 HB1 GLU 7 70.775 -1.602 -10.051 69 HG2 GLU 7 HG2 GLU 7 69.073 -3.095 -12.061 70 HG3 GLU 7 HG1 GLU 7 69.135 -1.336 -11.966 71 H LEU 8 HN LEU 8 72.898 -4.259 -9.189 72 HA LEU 8 HA LEU 8 72.385 -3.556 -6.361 73 HB2 LEU 8 HB2 LEU 8 73.935 -5.987 -7.302 74 HB3 LEU 8 HB1 LEU 8 73.685 -5.481 -5.631 75 HG LEU 8 HG LEU 8 71.090 -5.594 -6.411 76 HD11 LEU 8 HD11 LEU 8 72.402 -7.821 -7.994 77 HD12 LEU 8 HD12 LEU 8 71.814 -6.331 -8.727 78 HD13 LEU 8 HD13 LEU 8 70.690 -7.421 -7.926 79 HD21 LEU 8 HD21 LEU 8 72.852 -7.893 -5.507 80 HD22 LEU 8 HD22 LEU 8 71.089 -7.968 -5.523 81 HD23 LEU 8 HD23 LEU 8 71.913 -6.801 -4.490 82 H LEU 9 HN LEU 9 73.880 -2.188 -5.580 83 HA LEU 9 HA LEU 9 76.292 -1.659 -7.178 84 HB2 LEU 9 HB2 LEU 9 74.777 -0.197 -5.046 85 HB3 LEU 9 HB1 LEU 9 76.510 0.101 -5.144 86 HG LEU 9 HG LEU 9 76.247 0.642 -7.563 87 HD11 LEU 9 HD11 LEU 9 73.281 0.493 -6.964 88 HD12 LEU 9 HD12 LEU 9 74.173 -0.676 -7.939 89 HD13 LEU 9 HD13 LEU 9 74.017 0.991 -8.486 90 HD21 LEU 9 HD21 LEU 9 76.277 2.454 -5.959 91 HD22 LEU 9 HD22 LEU 9 74.573 2.209 -5.588 92 HD23 LEU 9 HD23 LEU 9 75.051 2.816 -7.173 93 H LYS 10 HN LYS 10 78.015 -2.846 -6.770 94 HA LYS 10 HA LYS 10 78.556 -3.726 -3.984 95 HB2 LYS 10 HB2 LYS 10 79.409 -5.188 -6.485 96 HB3 LYS 10 HB1 LYS 10 79.460 -5.771 -4.829 97 HG2 LYS 10 HG2 LYS 10 76.751 -4.970 -5.817 98 HG3 LYS 10 HG1 LYS 10 77.449 -6.387 -6.577 99 HD2 LYS 10 HD2 LYS 10 76.118 -7.071 -4.681 100 HD3 LYS 10 HD1 LYS 10 77.816 -7.380 -4.319 101 HE2 LYS 10 HE2 LYS 10 77.936 -5.593 -2.800 102 HE3 LYS 10 HE1 LYS 10 76.524 -4.790 -3.482 103 HZ1 LYS 10 HZ1 LYS 10 76.407 -7.411 -2.109 104 HZ2 LYS 10 HZ2 LYS 10 75.105 -6.415 -2.556 105 HZ3 LYS 10 HZ3 LYS 10 76.158 -5.935 -1.313 106 H ASN 11 HN ASN 11 81.087 -4.696 -4.296 107 HA ASN 11 HA ASN 11 83.276 -3.967 -4.192 108 HB2 ASN 11 HB2 ASN 11 82.411 -2.498 -6.703 109 HB3 ASN 11 HB1 ASN 11 84.080 -2.705 -6.179 110 HD21 ASN 11 HD21 ASN 11 84.074 -5.399 -5.339 111 HD22 ASN 11 HD22 ASN 11 83.718 -6.394 -6.667 112 H ALA 12 HN ALA 12 83.498 -2.716 -2.388 113 HA ALA 12 HA ALA 12 82.794 0.165 -2.633 114 HB1 ALA 12 HB1 ALA 12 82.769 -1.486 -0.108 115 HB2 ALA 12 HB2 ALA 12 81.340 -1.157 -1.090 116 HB3 ALA 12 HB3 ALA 12 82.201 0.170 -0.311 117 H ALA 13 HN ALA 13 84.390 1.460 -2.600 118 HA ALA 13 HA ALA 13 86.731 0.986 -0.853 119 HB1 ALA 13 HB1 ALA 13 87.504 0.449 -3.099 120 HB2 ALA 13 HB2 ALA 13 88.149 2.026 -2.646 121 HB3 ALA 13 HB3 ALA 13 86.774 1.920 -3.744 122 H VAL 14 HN VAL 14 86.998 2.685 0.440 123 HA VAL 14 HA VAL 14 86.044 5.358 -0.465 124 HB VAL 14 HB VAL 14 84.941 5.753 1.678 125 HG11 VAL 14 HG11 VAL 14 84.009 3.146 0.445 126 HG12 VAL 14 HG12 VAL 14 83.760 4.723 -0.306 127 HG13 VAL 14 HG13 VAL 14 83.017 4.359 1.251 128 HG21 VAL 14 HG21 VAL 14 84.526 3.607 3.077 129 HG22 VAL 14 HG22 VAL 14 86.098 4.390 3.228 130 HG23 VAL 14 HG23 VAL 14 85.928 2.950 2.227 131 H ARG 15 HN ARG 15 87.527 6.809 -0.304 132 HA ARG 15 HA ARG 15 89.907 6.417 1.268 133 HB2 ARG 15 HB2 ARG 15 88.946 8.841 -0.266 134 HB3 ARG 15 HB1 ARG 15 90.560 8.630 0.413 135 HG2 ARG 15 HG2 ARG 15 90.899 6.636 -0.994 136 HG3 ARG 15 HG1 ARG 15 89.283 6.840 -1.672 137 HD2 ARG 15 HD2 ARG 15 90.719 7.868 -3.247 138 HD3 ARG 15 HD1 ARG 15 90.043 9.207 -2.322 139 HE ARG 15 HE ARG 15 92.155 9.605 -1.427 140 HH11 ARG 15 HH11 ARG 15 92.025 6.313 -2.384 141 HH12 ARG 15 HH12 ARG 15 93.736 6.154 -2.611 142 HH21 ARG 15 HH21 ARG 15 94.393 9.502 -1.995 143 HH22 ARG 15 HH22 ARG 15 95.077 7.959 -2.380 144 H ALA 16 HN ALA 16 90.493 8.903 2.207 145 HA ALA 16 HA ALA 16 88.853 9.004 4.623 146 HB1 ALA 16 HB1 ALA 16 90.575 10.342 5.556 147 HB2 ALA 16 HB2 ALA 16 91.211 10.770 3.966 148 HB3 ALA 16 HB3 ALA 16 91.404 9.129 4.581 149 H GLY 17 HN GLY 17 87.197 10.387 4.917 150 HA2 GLY 17 HA2 GLY 17 85.936 12.322 4.778 151 HA3 GLY 17 HA1 GLY 17 87.294 13.090 3.962 152 H ALA 18 HN ALA 18 85.916 10.105 2.789 153 HA ALA 18 HA ALA 18 84.789 11.563 0.450 154 HB1 ALA 18 HB1 ALA 18 85.313 9.654 -0.907 155 HB2 ALA 18 HB2 ALA 18 85.838 8.729 0.501 156 HB3 ALA 18 HB3 ALA 18 86.777 10.121 -0.039 157 H GLN 19 HN GLN 19 82.779 10.998 -0.291 158 HA GLN 19 HA GLN 19 81.101 9.485 1.583 159 HB2 GLN 19 HB2 GLN 19 80.470 11.283 -0.766 160 HB3 GLN 19 HB1 GLN 19 79.241 10.380 0.119 161 HG2 GLN 19 HG2 GLN 19 79.878 11.495 2.199 162 HG3 GLN 19 HG1 GLN 19 81.167 12.363 1.366 163 HE21 GLN 19 HE21 GLN 19 78.161 12.895 2.558 164 HE22 GLN 19 HE22 GLN 19 77.591 14.044 1.445 165 H ALA 20 HN ALA 20 79.462 7.987 0.675 166 HA ALA 20 HA ALA 20 80.126 6.747 -1.893 167 HB1 ALA 20 HB1 ALA 20 80.191 5.137 0.670 168 HB2 ALA 20 HB2 ALA 20 81.621 5.660 -0.216 169 HB3 ALA 20 HB3 ALA 20 80.483 4.541 -0.963 170 H CYS 21 HN CYS 21 78.466 5.495 -2.748 171 HA CYS 21 HA CYS 21 75.947 5.375 -1.192 172 HB2 CYS 21 HB2 CYS 21 76.083 7.255 -2.962 173 HB3 CYS 21 HB1 CYS 21 75.969 5.952 -4.146 174 HG CYS 21 HG CYS 21 73.517 6.313 -3.716 175 H PHE 22 HN PHE 22 75.169 3.417 -1.064 176 HA PHE 22 HA PHE 22 75.668 1.451 -3.237 177 HB2 PHE 22 HB2 PHE 22 75.680 0.871 -0.254 178 HB3 PHE 22 HB1 PHE 22 75.950 -0.293 -1.554 179 HD1 PHE 22 HD1 PHE 22 77.938 0.047 -3.108 180 HD2 PHE 22 HD2 PHE 22 77.460 2.219 0.565 181 HE1 PHE 22 HE1 PHE 22 80.340 0.657 -3.156 182 HE2 PHE 22 HE2 PHE 22 79.863 2.826 0.517 183 HZ PHE 22 HZ PHE 22 81.299 2.050 -1.348 184 H THR 23 HN THR 23 73.707 0.964 -4.108 185 HA THR 23 HA THR 23 71.440 0.505 -2.279 186 HB THR 23 HB THR 23 71.063 2.780 -2.903 187 HG1 THR 23 HG1 THR 23 69.515 0.799 -3.774 188 HG21 THR 23 HG21 THR 23 72.586 3.068 -4.728 189 HG22 THR 23 HG22 THR 23 70.977 3.391 -5.371 190 HG23 THR 23 HG23 THR 23 71.760 1.844 -5.692 191 H CYS 24 HN CYS 24 69.812 -0.895 -3.117 192 HA CYS 24 HA CYS 24 70.544 -2.284 -5.645 193 HB2 CYS 24 HB2 CYS 24 69.135 -3.613 -3.338 194 HB3 CYS 24 HB1 CYS 24 70.033 -4.356 -4.663 195 HG CYS 24 HG CYS 24 72.171 -4.002 -3.433 196 H THR 25 HN THR 25 69.109 -1.134 -6.945 197 HA THR 25 HA THR 25 66.392 -0.695 -6.205 198 HB THR 25 HB THR 25 67.809 -0.539 -8.869 199 HG1 THR 25 HG1 THR 25 66.657 1.668 -7.771 200 HG21 THR 25 HG21 THR 25 64.913 -0.121 -8.162 201 HG22 THR 25 HG22 THR 25 65.601 -0.963 -9.548 202 HG23 THR 25 HG23 THR 25 65.660 0.798 -9.469 203 H LEU 26 HN LEU 26 65.048 -2.269 -5.847 204 HA LEU 26 HA LEU 26 65.129 -4.738 -7.444 205 HB2 LEU 26 HB2 LEU 26 63.361 -4.192 -5.057 206 HB3 LEU 26 HB1 LEU 26 63.876 -5.737 -5.709 207 HG LEU 26 HG LEU 26 65.499 -3.735 -4.135 208 HD11 LEU 26 HD11 LEU 26 66.009 -5.903 -2.853 209 HD12 LEU 26 HD12 LEU 26 64.694 -6.622 -3.780 210 HD13 LEU 26 HD13 LEU 26 64.374 -5.256 -2.714 211 HD21 LEU 26 HD21 LEU 26 66.463 -5.909 -5.950 212 HD22 LEU 26 HD22 LEU 26 67.391 -5.490 -4.527 213 HD23 LEU 26 HD23 LEU 26 67.084 -4.286 -5.770 214 H SER 27 HN SER 27 62.726 -5.689 -7.539 215 HA SER 27 HA SER 27 61.030 -3.609 -8.811 216 HB2 SER 27 HB2 SER 27 62.093 -5.769 -10.079 217 HB3 SER 27 HB1 SER 27 60.574 -6.460 -9.518 218 HG SER 27 HG SER 27 61.050 -4.635 -11.474 219 H GLU 28 HN GLU 28 61.385 -5.523 -6.124 220 HA GLU 28 HA GLU 28 58.475 -5.435 -5.563 221 HB2 GLU 28 HB2 GLU 28 58.867 -7.681 -4.351 222 HB3 GLU 28 HB1 GLU 28 58.744 -7.711 -6.109 223 HG2 GLU 28 HG2 GLU 28 61.415 -7.432 -4.722 224 HG3 GLU 28 HG1 GLU 28 60.699 -9.012 -5.031 225 H ALA 29 HN ALA 29 57.919 -5.099 -3.448 226 HA ALA 29 HA ALA 29 59.937 -3.858 -1.780 227 HB1 ALA 29 HB1 ALA 29 57.969 -3.596 -0.199 228 HB2 ALA 29 HB2 ALA 29 56.973 -4.355 -1.442 229 HB3 ALA 29 HB3 ALA 29 57.781 -2.821 -1.772 230 H VAL 30 HN VAL 30 60.830 -4.708 0.075 231 HA VAL 30 HA VAL 30 60.251 -7.553 0.616 232 HB VAL 30 HB VAL 30 62.671 -5.937 1.420 233 HG11 VAL 30 HG11 VAL 30 62.161 -7.971 2.777 234 HG12 VAL 30 HG12 VAL 30 63.654 -8.138 1.853 235 HG13 VAL 30 HG13 VAL 30 62.181 -8.930 1.297 236 HG21 VAL 30 HG21 VAL 30 62.297 -7.852 -0.904 237 HG22 VAL 30 HG22 VAL 30 63.800 -7.046 -0.459 238 HG23 VAL 30 HG23 VAL 30 62.434 -6.101 -1.046 239 HA PRO 31 HA PRO 31 58.347 -6.081 4.407 240 HB2 PRO 31 HB2 PRO 31 58.884 -8.542 5.847 241 HB3 PRO 31 HB1 PRO 31 57.346 -7.985 5.177 242 HG2 PRO 31 HG2 PRO 31 59.046 -10.071 4.202 243 HG3 PRO 31 HG1 PRO 31 57.504 -9.518 3.539 244 HD2 PRO 31 HD2 PRO 31 60.139 -9.116 2.437 245 HD3 PRO 31 HD1 PRO 31 58.583 -8.551 1.786 246 H VAL 32 HN VAL 32 59.276 -7.065 6.987 247 HA VAL 32 HA VAL 32 61.996 -5.860 7.062 248 HB VAL 32 HB VAL 32 59.830 -5.831 9.189 249 HG11 VAL 32 HG11 VAL 32 61.454 -4.257 10.313 250 HG12 VAL 32 HG12 VAL 32 62.650 -4.718 9.101 251 HG13 VAL 32 HG13 VAL 32 62.018 -5.925 10.220 252 HG21 VAL 32 HG21 VAL 32 59.967 -3.332 8.748 253 HG22 VAL 32 HG22 VAL 32 59.267 -4.275 7.432 254 HG23 VAL 32 HG23 VAL 32 60.935 -3.711 7.322 255 H GLY 33 HN GLY 33 63.291 -7.594 7.059 256 HA2 GLY 33 HA2 GLY 33 64.097 -9.037 9.132 257 HA3 GLY 33 HA1 GLY 33 62.669 -9.959 8.665 258 H GLU 34 HN GLU 34 62.771 -9.796 5.884 259 HA GLU 34 HA GLU 34 64.721 -11.775 5.286 260 HB2 GLU 34 HB2 GLU 34 62.974 -10.061 3.511 261 HB3 GLU 34 HB1 GLU 34 64.032 -11.335 2.897 262 HG2 GLU 34 HG2 GLU 34 62.871 -13.008 4.216 263 HG3 GLU 34 HG1 GLU 34 61.891 -11.768 4.997 264 H ALA 35 HN ALA 35 64.525 -8.293 4.626 265 HA ALA 35 HA ALA 35 67.088 -8.236 3.288 266 HB1 ALA 35 HB1 ALA 35 65.312 -6.626 2.696 267 HB2 ALA 35 HB2 ALA 35 66.757 -5.797 3.277 268 HB3 ALA 35 HB3 ALA 35 65.359 -5.977 4.336 269 H SER 36 HN SER 36 69.056 -7.631 4.171 270 HA SER 36 HA SER 36 69.120 -6.793 7.004 271 HB2 SER 36 HB2 SER 36 69.388 -9.240 7.007 272 HB3 SER 36 HB1 SER 36 70.715 -9.102 5.855 273 HG SER 36 HG SER 36 70.590 -8.438 8.565 274 H TRP 37 HN TRP 37 70.839 -5.522 7.539 275 HA TRP 37 HA TRP 37 72.905 -4.976 5.505 276 HB2 TRP 37 HB2 TRP 37 71.004 -2.982 6.740 277 HB3 TRP 37 HB1 TRP 37 72.574 -2.493 6.110 278 HD1 TRP 37 HD1 TRP 37 69.128 -3.636 5.041 279 HE1 TRP 37 HE1 TRP 37 68.917 -3.393 2.483 280 HE3 TRP 37 HE3 TRP 37 73.979 -2.573 3.851 281 HZ2 TRP 37 HZ2 TRP 37 70.582 -2.826 0.231 282 HZ3 TRP 37 HZ3 TRP 37 74.638 -2.181 1.494 283 HH2 TRP 37 HH2 TRP 37 72.946 -2.306 -0.317 284 H TYR 38 HN TYR 38 74.841 -5.123 6.483 285 HA TYR 38 HA TYR 38 75.261 -3.903 9.075 286 HB2 TYR 38 HB2 TYR 38 75.509 -6.897 8.782 287 HB3 TYR 38 HB1 TYR 38 76.227 -5.969 10.111 288 HD1 TYR 38 HD2 TYR 38 73.060 -7.084 8.545 289 HD2 TYR 38 HD1 TYR 38 74.836 -4.931 11.810 290 HE1 TYR 38 HE2 TYR 38 70.875 -7.058 9.718 291 HE2 TYR 38 HE1 TYR 38 72.654 -4.907 12.985 292 HH TYR 38 HH TYR 38 70.022 -6.843 12.010 293 H ILE 39 HN ILE 39 77.375 -3.669 9.674 294 HA ILE 39 HA ILE 39 79.374 -4.092 7.546 295 HB ILE 39 HB ILE 39 80.056 -2.188 9.730 296 HG12 ILE 39 HG12 ILE 39 77.590 -1.721 9.472 297 HG13 ILE 39 HG11 ILE 39 78.616 -0.364 9.024 298 HG21 ILE 39 HG21 ILE 39 80.128 -2.071 6.705 299 HG22 ILE 39 HG22 ILE 39 81.480 -2.341 7.805 300 HG23 ILE 39 HG23 ILE 39 80.685 -0.769 7.754 301 HD11 ILE 39 HD11 ILE 39 78.341 -0.770 6.716 302 HD12 ILE 39 HD12 ILE 39 76.730 -0.919 7.419 303 HD13 ILE 39 HD13 ILE 39 77.646 -2.362 6.996 304 H ASN 40 HN ASN 40 80.725 -5.948 8.163 305 HA ASN 40 HA ASN 40 80.675 -6.852 10.824 306 HB2 ASN 40 HB2 ASN 40 81.214 -8.319 8.907 307 HB3 ASN 40 HB1 ASN 40 82.669 -7.373 8.597 308 HD21 ASN 40 HD21 ASN 40 81.165 -9.622 10.926 309 HD22 ASN 40 HD22 ASN 40 82.612 -10.018 11.721 310 H GLY 41 HN GLY 41 81.445 -5.723 12.409 311 HA2 GLY 41 HA2 GLY 41 83.563 -5.041 13.518 312 HA3 GLY 41 HA1 GLY 41 83.919 -4.124 12.052 313 H ALA 42 HN ALA 42 80.778 -3.669 11.987 314 HA ALA 42 HA ALA 42 80.451 -1.856 14.245 315 HB1 ALA 42 HB1 ALA 42 80.336 -0.652 11.483 316 HB2 ALA 42 HB2 ALA 42 81.811 -0.620 12.451 317 HB3 ALA 42 HB3 ALA 42 80.352 0.172 13.043 318 H ALA 43 HN ALA 43 78.656 -3.156 14.685 319 HA ALA 43 HA ALA 43 76.634 -3.804 12.834 320 HB1 ALA 43 HB1 ALA 43 76.357 -3.397 15.823 321 HB2 ALA 43 HB2 ALA 43 76.887 -4.892 15.051 322 HB3 ALA 43 HB3 ALA 43 75.250 -4.293 14.782 323 H VAL 44 HN VAL 44 74.787 -2.763 12.209 324 HA VAL 44 HA VAL 44 74.791 0.104 12.478 325 HB VAL 44 HB VAL 44 72.567 -0.214 11.134 326 HG11 VAL 44 HG11 VAL 44 73.988 -0.785 9.062 327 HG12 VAL 44 HG12 VAL 44 75.352 -0.880 10.179 328 HG13 VAL 44 HG13 VAL 44 74.462 0.632 10.000 329 HG21 VAL 44 HG21 VAL 44 72.570 -2.713 11.835 330 HG22 VAL 44 HG22 VAL 44 73.799 -2.911 10.587 331 HG23 VAL 44 HG23 VAL 44 72.195 -2.326 10.156 332 H GLN 45 HN GLN 45 74.206 0.872 14.433 333 HA GLN 45 HA GLN 45 71.776 -0.206 15.740 334 HB2 GLN 45 HB2 GLN 45 74.282 1.108 16.695 335 HB3 GLN 45 HB1 GLN 45 72.818 1.550 17.564 336 HG2 GLN 45 HG2 GLN 45 72.331 -0.837 17.971 337 HG3 GLN 45 HG1 GLN 45 73.781 -1.289 17.080 338 HE21 GLN 45 HE21 GLN 45 75.532 0.780 18.130 339 HE22 GLN 45 HE22 GLN 45 75.784 0.441 19.774 340 HA PRO 46 HA PRO 46 69.259 3.216 14.667 341 HB2 PRO 46 HB2 PRO 46 68.637 4.168 17.333 342 HB3 PRO 46 HB1 PRO 46 67.632 3.171 16.273 343 HG2 PRO 46 HG2 PRO 46 69.260 2.371 18.570 344 HG3 PRO 46 HG1 PRO 46 67.963 1.488 17.754 345 HD2 PRO 46 HD2 PRO 46 70.644 0.807 17.595 346 HD3 PRO 46 HD1 PRO 46 69.432 0.359 16.380 347 H ASP 47 HN ASP 47 71.962 3.582 16.768 348 HA ASP 47 HA ASP 47 71.989 6.495 16.652 349 HB2 ASP 47 HB2 ASP 47 73.970 4.547 17.842 350 HB3 ASP 47 HB1 ASP 47 73.985 6.298 18.051 351 H ASP 48 HN ASP 48 73.012 4.060 14.545 352 HA ASP 48 HA ASP 48 75.495 4.480 13.662 353 HB2 ASP 48 HB2 ASP 48 72.992 4.383 11.978 354 HB3 ASP 48 HB1 ASP 48 74.618 4.274 11.311 355 H SER 49 HN SER 49 76.575 6.315 13.772 356 HA SER 49 HA SER 49 75.379 8.851 13.008 357 HB2 SER 49 HB2 SER 49 78.069 8.110 14.141 358 HB3 SER 49 HB1 SER 49 77.584 9.762 13.766 359 HG SER 49 HG SER 49 76.060 9.674 15.317 360 H ASP 50 HN ASP 50 78.106 6.794 11.808 361 HA ASP 50 HA ASP 50 78.818 8.699 9.807 362 HB2 ASP 50 HB2 ASP 50 79.561 5.824 10.314 363 HB3 ASP 50 HB1 ASP 50 80.194 6.741 8.949 364 H TRP 51 HN TRP 51 76.863 5.718 9.782 365 HA TRP 51 HA TRP 51 76.041 6.408 7.008 366 HB2 TRP 51 HB2 TRP 51 75.722 3.893 6.713 367 HB3 TRP 51 HB1 TRP 51 77.388 4.469 6.759 368 HD1 TRP 51 HD1 TRP 51 74.759 2.768 8.992 369 HE1 TRP 51 HE1 TRP 51 75.966 1.425 10.810 370 HE3 TRP 51 HE3 TRP 51 79.581 4.101 7.998 371 HZ2 TRP 51 HZ2 TRP 51 78.615 0.949 11.714 372 HZ3 TRP 51 HZ3 TRP 51 81.432 3.167 9.354 373 HH2 TRP 51 HH2 TRP 51 80.958 1.588 11.205 374 H THR 52 HN THR 52 73.967 5.428 6.382 375 HA THR 52 HA THR 52 72.060 5.205 8.641 376 HB THR 52 HB THR 52 70.459 6.540 7.406 377 HG1 THR 52 HG1 THR 52 71.218 7.523 5.423 378 HG21 THR 52 HG21 THR 52 71.750 8.718 7.252 379 HG22 THR 52 HG22 THR 52 73.210 7.792 7.594 380 HG23 THR 52 HG23 THR 52 71.911 7.863 8.785 381 H VAL 53 HN VAL 53 70.132 3.967 8.097 382 HA VAL 53 HA VAL 53 70.406 2.271 5.687 383 HB VAL 53 HB VAL 53 71.266 0.908 7.480 384 HG11 VAL 53 HG11 VAL 53 70.188 0.588 9.576 385 HG12 VAL 53 HG12 VAL 53 68.701 1.350 9.015 386 HG13 VAL 53 HG13 VAL 53 70.140 2.329 9.298 387 HG21 VAL 53 HG21 VAL 53 68.371 0.095 7.158 388 HG22 VAL 53 HG22 VAL 53 69.779 -0.952 7.324 389 HG23 VAL 53 HG23 VAL 53 69.534 -0.033 5.838 390 H THR 54 HN THR 54 68.660 2.415 4.513 391 HA THR 54 HA THR 54 66.006 2.540 5.760 392 HB THR 54 HB THR 54 65.392 4.440 4.269 393 HG1 THR 54 HG1 THR 54 66.863 4.597 2.747 394 HG21 THR 54 HG21 THR 54 66.334 6.154 5.686 395 HG22 THR 54 HG22 THR 54 67.668 5.096 6.145 396 HG23 THR 54 HG23 THR 54 66.026 4.729 6.679 397 H ALA 55 HN ALA 55 64.288 2.070 4.252 398 HA ALA 55 HA ALA 55 65.072 1.095 1.596 399 HB1 ALA 55 HB1 ALA 55 63.944 -1.054 1.923 400 HB2 ALA 55 HB2 ALA 55 63.583 -0.634 3.598 401 HB3 ALA 55 HB3 ALA 55 65.255 -0.880 3.090 402 H ASP 56 HN ASP 56 63.774 2.226 0.326 403 HA ASP 56 HA ASP 56 61.005 2.795 1.203 404 HB2 ASP 56 HB2 ASP 56 62.813 4.115 -0.819 405 HB3 ASP 56 HB1 ASP 56 61.087 4.454 -0.727 406 H GLY 57 HN GLY 57 59.672 1.235 0.553 407 HA2 GLY 57 HA2 GLY 57 58.529 -0.209 -0.826 408 HA3 GLY 57 HA1 GLY 57 59.006 0.857 -2.142 409 H SER 58 HN SER 58 59.966 -0.220 -3.716 410 HA SER 58 HA SER 58 61.428 -2.704 -3.175 411 HB2 SER 58 HB2 SER 58 61.407 -2.923 -5.647 412 HB3 SER 58 HB1 SER 58 59.789 -2.734 -4.973 413 HG SER 58 HG SER 58 61.190 -0.424 -5.663 414 H HIS 59 HN HIS 59 62.758 -0.417 -2.219 415 HA HIS 59 HA HIS 59 65.187 -0.509 -3.872 416 HB2 HIS 59 HB2 HIS 59 63.854 2.077 -3.032 417 HB3 HIS 59 HB1 HIS 59 65.425 1.938 -3.822 418 HD1 HIS 59 HD1 HIS 59 61.767 1.116 -4.461 419 HD2 HIS 59 HD2 HIS 59 65.288 1.773 -6.593 420 HE1 HIS 59 HE1 HIS 59 61.122 1.164 -6.909 421 H HIS 60 HN HIS 60 67.050 -0.424 -2.677 422 HA HIS 60 HA HIS 60 66.777 0.156 0.232 423 HB2 HIS 60 HB2 HIS 60 68.591 -1.856 -1.134 424 HB3 HIS 60 HB1 HIS 60 68.581 -1.490 0.590 425 HD1 HIS 60 HD1 HIS 60 66.379 -2.144 1.928 426 HD2 HIS 60 HD2 HIS 60 66.546 -3.586 -1.981 427 HE1 HIS 60 HE1 HIS 60 64.593 -3.931 1.744 428 H ALA 61 HN ALA 61 68.195 1.643 1.044 429 HA ALA 61 HA ALA 61 70.509 2.427 -0.621 430 HB1 ALA 61 HB1 ALA 61 69.987 4.817 -0.099 431 HB2 ALA 61 HB2 ALA 61 68.431 4.290 0.542 432 HB3 ALA 61 HB3 ALA 61 68.811 4.045 -1.162 433 H LEU 62 HN LEU 62 72.291 2.727 0.443 434 HA LEU 62 HA LEU 62 72.265 3.049 3.394 435 HB2 LEU 62 HB2 LEU 62 72.918 0.722 2.588 436 HB3 LEU 62 HB1 LEU 62 74.298 1.473 1.791 437 HG LEU 62 HG LEU 62 74.725 2.518 4.202 438 HD11 LEU 62 HD11 LEU 62 73.982 1.185 6.030 439 HD12 LEU 62 HD12 LEU 62 73.388 -0.086 4.961 440 HD13 LEU 62 HD13 LEU 62 72.547 1.461 5.045 441 HD21 LEU 62 HD21 LEU 62 75.300 -0.373 3.483 442 HD22 LEU 62 HD22 LEU 62 76.131 0.533 4.747 443 HD23 LEU 62 HD23 LEU 62 76.290 1.024 3.060 444 H LEU 63 HN LEU 63 73.415 4.820 4.066 445 HA LEU 63 HA LEU 63 75.116 6.183 2.050 446 HB2 LEU 63 HB2 LEU 63 73.688 7.231 4.493 447 HB3 LEU 63 HB1 LEU 63 74.906 8.178 3.631 448 HG LEU 63 HG LEU 63 72.466 6.967 2.273 449 HD11 LEU 63 HD11 LEU 63 71.701 8.523 3.989 450 HD12 LEU 63 HD12 LEU 63 71.517 9.275 2.403 451 HD13 LEU 63 HD13 LEU 63 72.862 9.734 3.449 452 HD21 LEU 63 HD21 LEU 63 73.065 9.014 0.713 453 HD22 LEU 63 HD22 LEU 63 73.999 7.532 0.575 454 HD23 LEU 63 HD23 LEU 63 74.653 8.899 1.475 455 H LEU 64 HN LEU 64 76.920 7.364 2.801 456 HA LEU 64 HA LEU 64 78.250 6.427 5.237 457 HB2 LEU 64 HB2 LEU 64 79.061 4.996 3.286 458 HB3 LEU 64 HB1 LEU 64 79.674 6.483 2.565 459 HG LEU 64 HG LEU 64 81.034 6.885 4.603 460 HD11 LEU 64 HD11 LEU 64 81.328 4.569 5.944 461 HD12 LEU 64 HD12 LEU 64 79.638 4.380 5.476 462 HD13 LEU 64 HD13 LEU 64 80.143 5.780 6.423 463 HD21 LEU 64 HD21 LEU 64 82.201 5.894 2.800 464 HD22 LEU 64 HD22 LEU 64 81.382 4.345 3.003 465 HD23 LEU 64 HD23 LEU 64 82.592 4.863 4.177 466 H ARG 65 HN ARG 65 78.440 8.391 6.222 467 HA ARG 65 HA ARG 65 78.592 10.793 4.709 468 HB2 ARG 65 HB2 ARG 65 77.757 10.561 7.117 469 HB3 ARG 65 HB1 ARG 65 79.448 10.487 7.602 470 HG2 ARG 65 HG2 ARG 65 79.845 12.672 6.483 471 HG3 ARG 65 HG1 ARG 65 78.143 12.741 6.045 472 HD2 ARG 65 HD2 ARG 65 79.138 12.529 8.896 473 HD3 ARG 65 HD1 ARG 65 78.726 14.052 8.113 474 HE ARG 65 HE ARG 65 76.524 12.358 7.817 475 HH11 ARG 65 HH11 ARG 65 76.946 15.099 9.372 476 HH12 ARG 65 HH12 ARG 65 76.248 14.668 10.897 477 HH21 ARG 65 HH21 ARG 65 76.235 11.265 10.238 478 HH22 ARG 65 HH22 ARG 65 75.824 12.503 11.377 479 H SER 66 HN SER 66 80.948 11.219 6.987 480 HA SER 66 HA SER 66 83.072 11.147 5.005 481 HB2 SER 66 HB2 SER 66 83.280 11.884 7.928 482 HB3 SER 66 HB1 SER 66 84.447 12.238 6.649 483 HG SER 66 HG SER 66 82.177 13.554 7.364 484 H ALA 67 HN ALA 67 83.827 9.146 4.582 485 HA ALA 67 HA ALA 67 83.952 7.025 6.463 486 HB1 ALA 67 HB1 ALA 67 85.751 7.177 4.060 487 HB2 ALA 67 HB2 ALA 67 84.012 7.013 3.843 488 HB3 ALA 67 HB3 ALA 67 84.907 5.785 4.733 489 H GLN 68 HN GLN 68 85.184 7.199 8.281 490 HA GLN 68 HA GLN 68 87.904 8.339 8.048 491 HB2 GLN 68 HB2 GLN 68 86.214 7.899 10.519 492 HB3 GLN 68 HB1 GLN 68 87.796 8.677 10.471 493 HG2 GLN 68 HG2 GLN 68 86.721 10.296 8.754 494 HG3 GLN 68 HG1 GLN 68 85.184 9.665 9.340 495 HE21 GLN 68 HE21 GLN 68 87.046 12.287 9.759 496 HE22 GLN 68 HE22 GLN 68 86.806 12.590 11.411 497 HA PRO 69 HA PRO 69 89.779 4.350 8.505 498 HB2 PRO 69 HB2 PRO 69 91.650 5.110 10.584 499 HB3 PRO 69 HB1 PRO 69 91.965 4.903 8.858 500 HG2 PRO 69 HG2 PRO 69 91.602 7.363 10.386 501 HG3 PRO 69 HG1 PRO 69 92.266 7.142 8.760 502 HD2 PRO 69 HD2 PRO 69 89.802 8.300 9.314 503 HD3 PRO 69 HD1 PRO 69 90.242 7.579 7.749 504 H HIS 70 HN HIS 70 87.899 3.399 9.448 505 HA HIS 70 HA HIS 70 88.217 2.161 11.936 506 HB2 HIS 70 HB2 HIS 70 86.871 4.824 12.014 507 HB3 HIS 70 HB1 HIS 70 86.078 3.543 12.924 508 HD1 HIS 70 HD1 HIS 70 88.172 2.052 14.310 509 HD2 HIS 70 HD2 HIS 70 88.566 6.160 13.719 510 HE1 HIS 70 HE1 HIS 70 89.830 2.869 16.041 511 H HIS 71 HN HIS 71 86.130 3.342 9.406 512 HA HIS 71 HA HIS 71 83.937 1.575 9.964 513 HB2 HIS 71 HB2 HIS 71 83.030 2.379 7.861 514 HB3 HIS 71 HB1 HIS 71 83.686 3.744 8.767 515 HD1 HIS 71 HD1 HIS 71 84.820 1.295 6.075 516 HD2 HIS 71 HD2 HIS 71 85.537 5.209 7.316 517 HE1 HIS 71 HE1 HIS 71 86.443 2.286 4.409 518 H ALA 72 HN ALA 72 87.006 1.031 8.642 519 HA ALA 72 HA ALA 72 86.623 -0.604 6.465 520 HB1 ALA 72 HB1 ALA 72 88.589 -1.145 8.697 521 HB2 ALA 72 HB2 ALA 72 88.831 0.060 7.433 522 HB3 ALA 72 HB3 ALA 72 88.726 -1.651 7.013 523 H GLY 73 HN GLY 73 86.272 -2.796 6.133 524 HA2 GLY 73 HA2 GLY 73 86.068 -4.912 7.798 525 HA3 GLY 73 HA1 GLY 73 84.558 -4.062 8.119 526 H GLU 74 HN GLU 74 82.986 -5.167 7.115 527 HA GLU 74 HA GLU 74 83.222 -5.582 4.197 528 HB2 GLU 74 HB2 GLU 74 82.439 -7.709 6.204 529 HB3 GLU 74 HB1 GLU 74 82.144 -7.835 4.471 530 HG2 GLU 74 HG2 GLU 74 84.527 -7.697 4.006 531 HG3 GLU 74 HG1 GLU 74 84.879 -7.421 5.711 532 H VAL 75 HN VAL 75 81.249 -5.485 3.099 533 HA VAL 75 HA VAL 75 78.899 -4.664 4.720 534 HB VAL 75 HB VAL 75 78.141 -3.599 2.494 535 HG11 VAL 75 HG11 VAL 75 79.588 -1.569 2.959 536 HG12 VAL 75 HG12 VAL 75 80.467 -2.559 4.127 537 HG13 VAL 75 HG13 VAL 75 78.753 -2.226 4.369 538 HG21 VAL 75 HG21 VAL 75 79.811 -4.645 1.031 539 HG22 VAL 75 HG22 VAL 75 81.115 -3.904 1.962 540 HG23 VAL 75 HG23 VAL 75 80.016 -2.895 1.024 541 H THR 76 HN THR 76 77.456 -6.213 4.857 542 HA THR 76 HA THR 76 77.079 -8.053 2.557 543 HB THR 76 HB THR 76 76.716 -8.566 5.516 544 HG1 THR 76 HG1 THR 76 78.705 -9.110 3.629 545 HG21 THR 76 HG21 THR 76 75.096 -9.884 4.398 546 HG22 THR 76 HG22 THR 76 76.469 -10.963 4.636 547 HG23 THR 76 HG23 THR 76 76.184 -10.230 3.056 548 H PHE 77 HN PHE 77 75.199 -8.028 1.613 549 HA PHE 77 HA PHE 77 72.784 -7.134 3.059 550 HB2 PHE 77 HB2 PHE 77 73.255 -5.260 1.714 551 HB3 PHE 77 HB1 PHE 77 73.789 -6.253 0.361 552 HD1 PHE 77 HD2 PHE 77 70.764 -5.576 2.469 553 HD2 PHE 77 HD1 PHE 77 72.279 -6.714 -1.385 554 HE1 PHE 77 HE2 PHE 77 68.462 -5.532 1.553 555 HE2 PHE 77 HE1 PHE 77 69.974 -6.680 -2.303 556 HZ PHE 77 HZ PHE 77 68.064 -6.087 -0.832 557 H ALA 78 HN ALA 78 71.263 -8.601 3.053 558 HA ALA 78 HA ALA 78 71.258 -10.672 0.917 559 HB1 ALA 78 HB1 ALA 78 70.124 -10.916 3.710 560 HB2 ALA 78 HB2 ALA 78 71.736 -11.473 3.257 561 HB3 ALA 78 HB3 ALA 78 70.310 -12.197 2.513 562 H CYS 79 HN CYS 79 69.188 -11.443 0.247 563 HA CYS 79 HA CYS 79 66.841 -9.850 0.929 564 HB2 CYS 79 HB2 CYS 79 68.202 -8.734 -0.982 565 HB3 CYS 79 HB1 CYS 79 67.599 -10.061 -1.980 566 HG CYS 79 HG CYS 79 65.270 -8.877 -0.530 567 H ARG 80 HN ARG 80 65.414 -10.710 -1.428 568 HA ARG 80 HA ARG 80 64.365 -13.134 -0.541 569 HB2 ARG 80 HB2 ARG 80 64.350 -12.004 -3.352 570 HB3 ARG 80 HB1 ARG 80 63.277 -13.266 -2.753 571 HG2 ARG 80 HG2 ARG 80 63.423 -10.635 -1.287 572 HG3 ARG 80 HG1 ARG 80 62.465 -10.751 -2.762 573 HD2 ARG 80 HD2 ARG 80 62.142 -12.582 -0.361 574 HD3 ARG 80 HD1 ARG 80 61.122 -11.191 -0.709 575 HE ARG 80 HE ARG 80 61.087 -12.754 -3.001 576 HH11 ARG 80 HH21 ARG 80 59.195 -12.173 -0.354 577 HH12 ARG 80 HH22 ARG 80 58.400 -13.711 -0.320 578 HH21 ARG 80 HH11 ARG 80 60.526 -15.157 -2.649 579 HH22 ARG 80 HH12 ARG 80 59.162 -15.404 -1.610 580 H ASP 81 HN ASP 81 66.218 -14.422 -0.074 581 HA ASP 81 HA ASP 81 67.714 -16.114 -0.458 582 HB2 ASP 81 HB2 ASP 81 65.998 -16.344 -2.936 583 HB3 ASP 81 HB1 ASP 81 67.261 -17.500 -2.521 584 H ALA 82 HN ALA 82 67.759 -13.324 -2.263 585 HA ALA 82 HA ALA 82 69.981 -14.116 -3.998 586 HB1 ALA 82 HB1 ALA 82 69.931 -11.584 -4.523 587 HB2 ALA 82 HB2 ALA 82 68.399 -11.575 -3.647 588 HB3 ALA 82 HB3 ALA 82 68.582 -12.570 -5.092 589 H VAL 83 HN VAL 83 71.747 -14.522 -2.773 590 HA VAL 83 HA VAL 83 72.496 -12.749 -0.588 591 HB VAL 83 HB VAL 83 72.743 -15.226 -0.446 592 HG11 VAL 83 HG11 VAL 83 75.083 -14.900 -2.334 593 HG12 VAL 83 HG12 VAL 83 73.487 -15.389 -2.903 594 HG13 VAL 83 HG13 VAL 83 74.354 -16.391 -1.740 595 HG21 VAL 83 HG21 VAL 83 74.138 -13.604 0.888 596 HG22 VAL 83 HG22 VAL 83 75.395 -13.751 -0.340 597 HG23 VAL 83 HG23 VAL 83 74.924 -15.159 0.614 598 H ALA 84 HN ALA 84 73.745 -11.031 -0.824 599 HA ALA 84 HA ALA 84 75.771 -10.918 -2.959 600 HB1 ALA 84 HB1 ALA 84 74.926 -8.466 -3.292 601 HB2 ALA 84 HB2 ALA 84 73.428 -9.065 -2.587 602 HB3 ALA 84 HB3 ALA 84 74.048 -9.780 -4.075 603 H SER 85 HN SER 85 77.579 -9.657 -2.415 604 HA SER 85 HA SER 85 77.593 -7.806 -0.247 605 HB2 SER 85 HB2 SER 85 78.886 -9.058 1.379 606 HB3 SER 85 HB1 SER 85 77.392 -9.925 1.038 607 HG SER 85 HG SER 85 79.043 -11.396 0.912 608 H ALA 86 HN ALA 86 79.665 -6.811 0.107 609 HA ALA 86 HA ALA 86 81.887 -7.650 -1.632 610 HB1 ALA 86 HB1 ALA 86 81.976 -5.734 -2.920 611 HB2 ALA 86 HB2 ALA 86 81.218 -4.730 -1.681 612 HB3 ALA 86 HB3 ALA 86 80.238 -5.811 -2.661 613 H ARG 87 HN ARG 87 83.940 -6.680 -1.005 614 HA ARG 87 HA ARG 87 84.066 -6.256 1.852 615 HB2 ARG 87 HB2 ARG 87 85.733 -7.619 0.641 616 HB3 ARG 87 HB1 ARG 87 86.258 -6.180 -0.226 617 HG2 ARG 87 HG2 ARG 87 86.895 -5.117 1.905 618 HG3 ARG 87 HG1 ARG 87 86.348 -6.544 2.784 619 HD2 ARG 87 HD2 ARG 87 87.994 -7.901 1.447 620 HD3 ARG 87 HD1 ARG 87 88.609 -6.394 0.773 621 HE ARG 87 HE ARG 87 88.648 -6.145 3.562 622 HH11 ARG 87 HH21 ARG 87 90.013 -8.193 1.131 623 HH12 ARG 87 HH22 ARG 87 91.522 -8.398 1.954 624 HH21 ARG 87 HH11 ARG 87 90.663 -6.341 4.608 625 HH22 ARG 87 HH12 ARG 87 91.890 -7.350 3.919 626 H LEU 88 HN LEU 88 84.513 -4.466 2.944 627 HA LEU 88 HA LEU 88 84.578 -1.883 1.495 628 HB2 LEU 88 HB2 LEU 88 82.744 -2.110 3.119 629 HB3 LEU 88 HB1 LEU 88 83.891 -2.525 4.388 630 HG LEU 88 HG LEU 88 84.946 -0.299 4.177 631 HD11 LEU 88 HD11 LEU 88 84.689 0.388 1.951 632 HD12 LEU 88 HD12 LEU 88 83.505 1.398 2.778 633 HD13 LEU 88 HD13 LEU 88 82.980 -0.045 1.907 634 HD21 LEU 88 HD21 LEU 88 82.973 -0.689 5.689 635 HD22 LEU 88 HD22 LEU 88 81.936 -0.043 4.416 636 HD23 LEU 88 HD23 LEU 88 83.155 0.986 5.167 637 H THR 89 HN THR 89 86.408 -0.645 1.586 638 HA THR 89 HA THR 89 88.368 -1.177 3.707 639 HB THR 89 HB THR 89 89.067 -2.616 1.898 640 HG1 THR 89 HG1 THR 89 90.820 -1.769 2.826 641 HG21 THR 89 HG21 THR 89 87.915 -1.475 0.055 642 HG22 THR 89 HG22 THR 89 89.630 -1.661 -0.313 643 HG23 THR 89 HG23 THR 89 89.007 -0.098 0.215 644 H VAL 90 HN VAL 90 89.865 0.451 4.115 645 HA VAL 90 HA VAL 90 89.114 3.086 2.991 646 HB VAL 90 HB VAL 90 88.680 2.830 5.419 647 HG11 VAL 90 HG11 VAL 90 90.394 2.361 6.968 648 HG12 VAL 90 HG12 VAL 90 91.674 2.714 5.807 649 HG13 VAL 90 HG13 VAL 90 90.728 1.233 5.654 650 HG21 VAL 90 HG21 VAL 90 89.315 5.029 4.385 651 HG22 VAL 90 HG22 VAL 90 90.996 4.695 4.801 652 HG23 VAL 90 HG23 VAL 90 89.796 4.897 6.077 653 H LEU 91 HN LEU 91 90.533 4.031 1.746 654 HA LEU 91 HA LEU 91 93.368 3.166 1.828 655 HB2 LEU 91 HB2 LEU 91 91.621 4.329 -0.343 656 HB3 LEU 91 HB1 LEU 91 93.379 4.371 -0.460 657 HG LEU 91 HG LEU 91 93.466 1.921 -0.222 658 HD11 LEU 91 HD11 LEU 91 91.639 1.216 1.034 659 HD12 LEU 91 HD12 LEU 91 91.084 0.801 -0.584 660 HD13 LEU 91 HD13 LEU 91 90.507 2.276 0.194 661 HD21 LEU 91 HD21 LEU 91 92.246 1.386 -2.399 662 HD22 LEU 91 HD22 LEU 91 93.382 2.734 -2.473 663 HD23 LEU 91 HD23 LEU 91 91.650 3.047 -2.369 664 H GLY 92 HN GLY 92 94.912 4.623 2.408 665 HA2 GLY 92 HA2 GLY 92 94.726 7.413 2.012 666 HA3 GLY 92 HA1 GLY 92 94.227 7.042 3.657 667 H LEU 93 HN LEU 93 96.172 8.496 3.979 668 HA LEU 93 HA LEU 93 98.730 7.080 3.858 669 HB2 LEU 93 HB2 LEU 93 97.917 9.971 4.208 670 HB3 LEU 93 HB1 LEU 93 99.529 9.437 4.652 671 HG LEU 93 HG LEU 93 99.214 10.406 2.295 672 HD11 LEU 93 HD11 LEU 93 100.361 7.609 2.324 673 HD12 LEU 93 HD12 LEU 93 101.163 8.969 3.106 674 HD13 LEU 93 HD13 LEU 93 100.883 8.992 1.368 675 HD21 LEU 93 HD21 LEU 93 98.289 8.999 0.593 676 HD22 LEU 93 HD22 LEU 93 97.092 9.077 1.883 677 HD23 LEU 93 HD23 LEU 93 98.113 7.649 1.708 678 HA PRO 94 HA PRO 94 98.621 6.104 8.155 679 HB2 PRO 94 HB2 PRO 94 101.128 7.389 8.837 680 HB3 PRO 94 HB1 PRO 94 100.808 5.666 8.614 681 HG2 PRO 94 HG2 PRO 94 102.097 7.547 6.805 682 HG3 PRO 94 HG1 PRO 94 102.057 5.781 6.731 683 HD2 PRO 94 HD2 PRO 94 100.708 7.468 4.985 684 HD3 PRO 94 HD1 PRO 94 100.279 5.770 5.275 685 H ASP 95 HN ASP 95 97.755 7.109 9.946 686 HA ASP 95 HA ASP 95 96.870 9.746 9.837 687 HB2 ASP 95 HB2 ASP 95 96.310 9.502 12.194 688 HB3 ASP 95 HB1 ASP 95 95.927 8.010 11.338 689 H GLY 96 HN GLY 96 97.408 11.454 11.490 690 HA2 GLY 96 HA2 GLY 96 99.856 11.698 12.795 691 HA3 GLY 96 HA1 GLY 96 100.097 12.298 11.156 692 H LEU 97 HN LEU 97 98.351 13.857 10.393 693 HA LEU 97 HA LEU 97 97.888 15.871 12.503 694 HB2 LEU 97 HB2 LEU 97 97.849 16.068 9.479 695 HB3 LEU 97 HB1 LEU 97 97.518 17.410 10.575 696 HG LEU 97 HG LEU 97 100.085 15.800 10.565 697 HD11 LEU 97 HD11 LEU 97 101.112 17.561 9.340 698 HD12 LEU 97 HD12 LEU 97 99.733 18.634 9.574 699 HD13 LEU 97 HD13 LEU 97 99.598 17.248 8.494 700 HD21 LEU 97 HD21 LEU 97 99.028 18.084 12.209 701 HD22 LEU 97 HD22 LEU 97 100.747 18.078 11.820 702 HD23 LEU 97 HD23 LEU 97 100.039 16.724 12.694 703 H GLU 98 HN GLU 98 96.027 15.025 13.450 704 HA GLU 98 HA GLU 98 93.574 15.393 11.858 705 HB2 GLU 98 HB2 GLU 98 94.216 12.938 13.514 706 HB3 GLU 98 HB1 GLU 98 92.617 13.321 12.877 707 HG2 GLU 98 HG2 GLU 98 95.108 12.954 11.185 708 HG3 GLU 98 HG1 GLU 98 93.871 11.727 11.427 709 H HIS 99 HN HIS 99 91.680 15.740 13.155 710 HA HIS 99 HA HIS 99 92.238 17.301 15.504 711 HB2 HIS 99 HB2 HIS 99 89.639 16.460 14.199 712 HB3 HIS 99 HB1 HIS 99 89.738 17.528 15.596 713 HD1 HIS 99 HD1 HIS 99 91.351 19.731 15.173 714 HD2 HIS 99 HD2 HIS 99 89.830 17.821 11.795 715 HE1 HIS 99 HE1 HIS 99 91.532 21.392 13.269 716 H HIS 100 HN HIS 100 91.877 16.805 17.621 717 HA HIS 100 HA HIS 100 91.789 14.031 18.343 718 HB2 HIS 100 HB2 HIS 100 91.636 16.529 20.042 719 HB3 HIS 100 HB1 HIS 100 91.837 14.891 20.664 720 HD1 HIS 100 HD1 HIS 100 93.704 17.702 19.177 721 HD2 HIS 100 HD2 HIS 100 94.337 13.632 19.808 722 HE1 HIS 100 HE1 HIS 100 96.182 17.303 18.846 723 H HIS 101 HN HIS 101 90.141 12.833 19.123 724 HA HIS 101 HA HIS 101 87.461 13.677 18.630 725 HB2 HIS 101 HB2 HIS 101 88.507 11.284 20.165 726 HB3 HIS 101 HB1 HIS 101 86.846 11.503 19.614 727 HD1 HIS 101 HD1 HIS 101 86.475 11.562 16.978 728 HD2 HIS 101 HD2 HIS 101 90.286 10.389 18.192 729 HE1 HIS 101 HE1 HIS 101 87.583 10.519 14.953 730 H HIS 102 HN HIS 102 86.122 12.589 20.863 731 HA HIS 102 HA HIS 102 86.013 14.859 22.561 732 HB2 HIS 102 HB2 HIS 102 84.879 12.076 22.935 733 HB3 HIS 102 HB1 HIS 102 84.422 13.499 23.874 734 HD1 HIS 102 HD1 HIS 102 83.644 15.625 22.202 735 HD2 HIS 102 HD2 HIS 102 83.265 11.744 20.728 736 HE1 HIS 102 HE1 HIS 102 82.034 15.753 20.251 737 H HIS 103 HN HIS 103 87.428 11.623 22.937 738 HA HIS 103 HA HIS 103 88.269 12.100 25.649 739 HB2 HIS 103 HB2 HIS 103 89.097 9.968 23.667 740 HB3 HIS 103 HB1 HIS 103 89.483 9.964 25.387 741 HD1 HIS 103 HD1 HIS 103 87.360 9.859 27.052 742 HD2 HIS 103 HD2 HIS 103 86.558 8.998 23.052 743 HE1 HIS 103 HE1 HIS 103 85.107 8.700 27.005 744 H HIS 104 HN HIS 104 90.107 13.009 26.354 745 HA HIS 104 HA HIS 104 91.925 14.184 24.431 746 HB2 HIS 104 HB2 HIS 104 91.231 15.416 26.451 747 HB3 HIS 104 HB1 HIS 104 91.997 14.189 27.459 748 HD1 HIS 104 HD1 HIS 104 93.045 16.404 24.518 749 HD2 HIS 104 HD2 HIS 104 94.583 14.886 28.083 750 HE1 HIS 104 HE1 HIS 104 95.383 17.351 24.752 Start of MODEL 5 1 H1 TRP 1 HT1 TRP 1 62.921 -17.941 -6.830 2 H2 TRP 1 HT2 TRP 1 64.423 -17.655 -7.570 3 H3 TRP 1 HT3 TRP 1 63.641 -19.150 -7.778 4 HA TRP 1 HA TRP 1 63.538 -17.264 -9.600 5 HB2 TRP 1 HB2 TRP 1 61.213 -19.028 -8.770 6 HB3 TRP 1 HB1 TRP 1 61.433 -18.311 -10.365 7 HD1 TRP 1 HD1 TRP 1 62.262 -21.318 -8.393 8 HE1 TRP 1 HE1 TRP 1 63.971 -22.785 -9.647 9 HE3 TRP 1 HE3 TRP 1 63.723 -18.051 -12.033 10 HZ2 TRP 1 HZ2 TRP 1 65.729 -22.596 -11.898 11 HZ3 TRP 1 HZ3 TRP 1 65.413 -18.719 -13.717 12 HH2 TRP 1 HH2 TRP 1 66.417 -20.986 -13.655 13 H ARG 2 HN ARG 2 62.425 -16.666 -6.551 14 HA ARG 2 HA ARG 2 60.236 -14.864 -7.302 15 HB2 ARG 2 HB2 ARG 2 61.396 -15.682 -4.629 16 HB3 ARG 2 HB1 ARG 2 60.073 -14.531 -4.823 17 HG2 ARG 2 HG2 ARG 2 58.730 -16.251 -5.966 18 HG3 ARG 2 HG1 ARG 2 60.056 -17.402 -5.800 19 HD2 ARG 2 HD2 ARG 2 59.927 -17.198 -3.344 20 HD3 ARG 2 HD1 ARG 2 58.597 -16.058 -3.508 21 HE ARG 2 HE ARG 2 57.919 -18.421 -4.883 22 HH11 ARG 2 HH11 ARG 2 58.552 -17.264 -1.683 23 HH12 ARG 2 HH12 ARG 2 57.478 -18.386 -0.917 24 HH21 ARG 2 HH21 ARG 2 56.497 -19.884 -3.886 25 HH22 ARG 2 HH22 ARG 2 56.321 -19.875 -2.162 26 H LEU 3 HN LEU 3 60.232 -12.641 -6.546 27 HA LEU 3 HA LEU 3 61.198 -10.548 -6.777 28 HB2 LEU 3 HB2 LEU 3 61.394 -11.235 -4.347 29 HB3 LEU 3 HB1 LEU 3 63.065 -11.668 -4.678 30 HG LEU 3 HG LEU 3 62.034 -8.915 -5.401 31 HD11 LEU 3 HD11 LEU 3 61.448 -9.289 -3.034 32 HD12 LEU 3 HD12 LEU 3 62.741 -8.100 -3.197 33 HD13 LEU 3 HD13 LEU 3 63.117 -9.748 -2.695 34 HD21 LEU 3 HD21 LEU 3 64.738 -10.171 -4.876 35 HD22 LEU 3 HD22 LEU 3 64.517 -8.433 -4.715 36 HD23 LEU 3 HD23 LEU 3 64.211 -9.213 -6.259 37 H GLU 4 HN GLU 4 62.118 -10.385 -8.778 38 HA GLU 4 HA GLU 4 64.672 -11.569 -9.411 39 HB2 GLU 4 HB2 GLU 4 62.998 -9.525 -10.893 40 HB3 GLU 4 HB1 GLU 4 64.410 -10.357 -11.546 41 HG2 GLU 4 HG2 GLU 4 61.964 -11.788 -10.488 42 HG3 GLU 4 HG1 GLU 4 62.200 -11.391 -12.190 43 H ILE 5 HN ILE 5 66.650 -10.621 -9.338 44 HA ILE 5 HA ILE 5 66.834 -7.978 -8.087 45 HB ILE 5 HB ILE 5 68.252 -9.822 -7.235 46 HG12 ILE 5 HG12 ILE 5 69.928 -7.721 -8.638 47 HG13 ILE 5 HG11 ILE 5 68.974 -7.394 -7.190 48 HG21 ILE 5 HG21 ILE 5 68.484 -10.829 -9.619 49 HG22 ILE 5 HG22 ILE 5 69.880 -10.906 -8.546 50 HG23 ILE 5 HG23 ILE 5 69.813 -9.686 -9.815 51 HD11 ILE 5 HD11 ILE 5 71.270 -7.916 -6.540 52 HD12 ILE 5 HD12 ILE 5 71.211 -9.426 -7.448 53 HD13 ILE 5 HD13 ILE 5 70.206 -9.220 -6.015 54 H LEU 6 HN LEU 6 66.949 -6.207 -9.350 55 HA LEU 6 HA LEU 6 67.614 -6.529 -12.183 56 HB2 LEU 6 HB2 LEU 6 66.432 -4.299 -10.533 57 HB3 LEU 6 HB1 LEU 6 66.967 -4.032 -12.192 58 HG LEU 6 HG LEU 6 65.496 -5.922 -12.925 59 HD11 LEU 6 HD11 LEU 6 65.245 -7.269 -10.996 60 HD12 LEU 6 HD12 LEU 6 63.669 -6.506 -11.190 61 HD13 LEU 6 HD13 LEU 6 64.802 -5.892 -9.985 62 HD21 LEU 6 HD21 LEU 6 63.429 -4.655 -12.788 63 HD22 LEU 6 HD22 LEU 6 64.764 -3.514 -12.945 64 HD23 LEU 6 HD23 LEU 6 64.012 -3.779 -11.372 65 H GLU 7 HN GLU 7 68.520 -3.890 -9.884 66 HA GLU 7 HA GLU 7 71.332 -4.254 -10.696 67 HB2 GLU 7 HB2 GLU 7 71.530 -1.852 -11.198 68 HB3 GLU 7 HB1 GLU 7 70.371 -2.633 -12.272 69 HG2 GLU 7 HG2 GLU 7 68.526 -1.869 -10.774 70 HG3 GLU 7 HG1 GLU 7 69.713 -1.004 -9.802 71 H LEU 8 HN LEU 8 72.784 -3.770 -9.154 72 HA LEU 8 HA LEU 8 72.043 -2.160 -6.841 73 HB2 LEU 8 HB2 LEU 8 72.548 -3.824 -5.186 74 HB3 LEU 8 HB1 LEU 8 71.338 -4.487 -6.269 75 HG LEU 8 HG LEU 8 72.906 -6.234 -5.898 76 HD11 LEU 8 HD11 LEU 8 73.619 -6.774 -8.081 77 HD12 LEU 8 HD12 LEU 8 73.839 -5.083 -8.521 78 HD13 LEU 8 HD13 LEU 8 72.212 -5.735 -8.305 79 HD21 LEU 8 HD21 LEU 8 75.147 -6.006 -5.570 80 HD22 LEU 8 HD22 LEU 8 74.781 -4.301 -5.338 81 HD23 LEU 8 HD23 LEU 8 75.349 -4.873 -6.902 82 H LEU 9 HN LEU 9 73.900 -1.607 -5.488 83 HA LEU 9 HA LEU 9 76.407 -1.603 -7.076 84 HB2 LEU 9 HB2 LEU 9 75.524 0.262 -4.880 85 HB3 LEU 9 HB1 LEU 9 77.025 0.377 -5.792 86 HG LEU 9 HG LEU 9 74.245 0.521 -7.008 87 HD11 LEU 9 HD11 LEU 9 74.810 2.473 -5.570 88 HD12 LEU 9 HD12 LEU 9 74.697 2.913 -7.275 89 HD13 LEU 9 HD13 LEU 9 76.277 2.718 -6.517 90 HD21 LEU 9 HD21 LEU 9 75.623 -0.211 -8.758 91 HD22 LEU 9 HD22 LEU 9 77.048 0.612 -8.124 92 HD23 LEU 9 HD23 LEU 9 75.774 1.535 -8.921 93 H LYS 10 HN LYS 10 78.153 -2.490 -6.327 94 HA LYS 10 HA LYS 10 78.527 -2.967 -3.469 95 HB2 LYS 10 HB2 LYS 10 77.730 -5.051 -5.261 96 HB3 LYS 10 HB1 LYS 10 79.432 -5.326 -4.920 97 HG2 LYS 10 HG2 LYS 10 78.339 -6.511 -3.210 98 HG3 LYS 10 HG1 LYS 10 78.781 -4.998 -2.427 99 HD2 LYS 10 HD2 LYS 10 76.253 -4.460 -3.544 100 HD3 LYS 10 HD1 LYS 10 76.105 -6.108 -2.959 101 HE2 LYS 10 HE2 LYS 10 76.971 -5.364 -0.742 102 HE3 LYS 10 HE1 LYS 10 77.002 -3.706 -1.343 103 HZ1 LYS 10 HZ1 LYS 10 74.554 -4.174 -1.935 104 HZ2 LYS 10 HZ2 LYS 10 74.955 -3.841 -0.317 105 HZ3 LYS 10 HZ3 LYS 10 74.678 -5.441 -0.815 106 H ASN 11 HN ASN 11 80.922 -4.275 -3.553 107 HA ASN 11 HA ASN 11 83.172 -3.849 -3.768 108 HB2 ASN 11 HB2 ASN 11 82.555 -4.599 -6.127 109 HB3 ASN 11 HB1 ASN 11 82.501 -2.890 -6.554 110 HD21 ASN 11 HD21 ASN 11 84.406 -2.811 -7.860 111 HD22 ASN 11 HD22 ASN 11 85.957 -3.132 -7.248 112 H ALA 12 HN ALA 12 83.871 -2.235 -2.540 113 HA ALA 12 HA ALA 12 83.992 0.432 -3.679 114 HB1 ALA 12 HB1 ALA 12 82.803 1.489 -1.732 115 HB2 ALA 12 HB2 ALA 12 82.238 -0.125 -1.298 116 HB3 ALA 12 HB3 ALA 12 81.775 0.586 -2.845 117 H ALA 13 HN ALA 13 85.434 1.715 -2.904 118 HA ALA 13 HA ALA 13 86.971 1.020 -0.467 119 HB1 ALA 13 HB1 ALA 13 88.012 1.921 -3.174 120 HB2 ALA 13 HB2 ALA 13 88.382 0.411 -2.339 121 HB3 ALA 13 HB3 ALA 13 88.979 1.944 -1.699 122 H VAL 14 HN VAL 14 87.184 2.756 0.887 123 HA VAL 14 HA VAL 14 86.357 5.425 -0.153 124 HB VAL 14 HB VAL 14 85.551 5.780 2.262 125 HG11 VAL 14 HG11 VAL 14 84.250 3.857 0.323 126 HG12 VAL 14 HG12 VAL 14 83.939 5.583 0.510 127 HG13 VAL 14 HG13 VAL 14 83.427 4.454 1.763 128 HG21 VAL 14 HG21 VAL 14 85.425 2.757 2.266 129 HG22 VAL 14 HG22 VAL 14 85.149 3.867 3.608 130 HG23 VAL 14 HG23 VAL 14 86.778 3.615 2.994 131 H ARG 15 HN ARG 15 87.775 6.938 -0.043 132 HA ARG 15 HA ARG 15 90.195 6.656 1.575 133 HB2 ARG 15 HB2 ARG 15 89.347 8.650 -0.523 134 HB3 ARG 15 HB1 ARG 15 90.808 8.857 0.443 135 HG2 ARG 15 HG2 ARG 15 91.605 6.636 -0.321 136 HG3 ARG 15 HG1 ARG 15 90.168 6.489 -1.337 137 HD2 ARG 15 HD2 ARG 15 92.134 8.779 -1.522 138 HD3 ARG 15 HD1 ARG 15 92.199 7.351 -2.554 139 HE ARG 15 HE ARG 15 89.607 8.373 -2.740 140 HH11 ARG 15 HH11 ARG 15 91.837 8.040 -4.922 141 HH12 ARG 15 HH12 ARG 15 91.846 9.639 -5.585 142 HH21 ARG 15 HH21 ARG 15 90.068 11.030 -2.956 143 HH22 ARG 15 HH22 ARG 15 90.845 11.331 -4.475 144 H ALA 16 HN ALA 16 90.994 8.585 2.767 145 HA ALA 16 HA ALA 16 89.221 9.283 4.829 146 HB1 ALA 16 HB1 ALA 16 90.958 10.746 5.617 147 HB2 ALA 16 HB2 ALA 16 91.696 10.818 4.017 148 HB3 ALA 16 HB3 ALA 16 91.736 9.315 4.939 149 H GLY 17 HN GLY 17 87.469 10.535 4.670 150 HA2 GLY 17 HA2 GLY 17 86.322 12.562 4.388 151 HA3 GLY 17 HA1 GLY 17 87.694 13.193 3.483 152 H ALA 18 HN ALA 18 86.233 10.109 2.765 153 HA ALA 18 HA ALA 18 85.142 11.216 0.231 154 HB1 ALA 18 HB1 ALA 18 87.046 9.741 -0.178 155 HB2 ALA 18 HB2 ALA 18 85.554 8.986 -0.742 156 HB3 ALA 18 HB3 ALA 18 86.287 8.468 0.777 157 H GLN 19 HN GLN 19 83.167 10.404 -0.505 158 HA GLN 19 HA GLN 19 81.514 9.060 1.567 159 HB2 GLN 19 HB2 GLN 19 80.799 11.101 -0.543 160 HB3 GLN 19 HB1 GLN 19 79.592 10.180 0.357 161 HG2 GLN 19 HG2 GLN 19 80.431 11.049 2.466 162 HG3 GLN 19 HG1 GLN 19 81.754 11.871 1.639 163 HE21 GLN 19 HE21 GLN 19 80.461 13.694 2.976 164 HE22 GLN 19 HE22 GLN 19 79.297 14.532 2.068 165 H ALA 20 HN ALA 20 80.087 7.445 0.943 166 HA ALA 20 HA ALA 20 80.397 6.382 -1.812 167 HB1 ALA 20 HB1 ALA 20 81.724 4.903 -0.547 168 HB2 ALA 20 HB2 ALA 20 80.166 4.085 -0.644 169 HB3 ALA 20 HB3 ALA 20 80.621 4.944 0.828 170 H CYS 21 HN CYS 21 78.584 5.450 -2.717 171 HA CYS 21 HA CYS 21 76.051 5.683 -1.178 172 HB2 CYS 21 HB2 CYS 21 74.951 6.420 -3.210 173 HB3 CYS 21 HB1 CYS 21 76.322 7.479 -2.880 174 HG CYS 21 HG CYS 21 76.011 5.820 -5.360 175 H PHE 22 HN PHE 22 74.735 3.972 -1.214 176 HA PHE 22 HA PHE 22 75.195 1.821 -3.205 177 HB2 PHE 22 HB2 PHE 22 74.736 1.408 -0.239 178 HB3 PHE 22 HB1 PHE 22 74.905 0.143 -1.453 179 HD1 PHE 22 HD2 PHE 22 77.070 -0.051 -2.744 180 HD2 PHE 22 HD1 PHE 22 76.644 2.458 0.714 181 HE1 PHE 22 HE2 PHE 22 79.534 0.038 -2.503 182 HE2 PHE 22 HE1 PHE 22 79.108 2.548 0.955 183 HZ PHE 22 HZ PHE 22 80.554 1.340 -0.655 184 H THR 23 HN THR 23 73.348 1.303 -4.216 185 HA THR 23 HA THR 23 70.787 1.486 -2.758 186 HB THR 23 HB THR 23 70.849 3.597 -3.888 187 HG1 THR 23 HG1 THR 23 68.880 2.937 -4.266 188 HG21 THR 23 HG21 THR 23 71.897 1.970 -6.201 189 HG22 THR 23 HG22 THR 23 72.586 3.420 -5.468 190 HG23 THR 23 HG23 THR 23 71.138 3.539 -6.466 191 H CYS 24 HN CYS 24 69.270 -0.050 -3.395 192 HA CYS 24 HA CYS 24 70.074 -1.864 -5.604 193 HB2 CYS 24 HB2 CYS 24 68.859 -2.702 -2.967 194 HB3 CYS 24 HB1 CYS 24 69.411 -3.758 -4.266 195 HG CYS 24 HG CYS 24 71.795 -3.396 -3.582 196 H THR 25 HN THR 25 68.604 -1.087 -7.071 197 HA THR 25 HA THR 25 65.803 -0.774 -6.426 198 HB THR 25 HB THR 25 66.996 -1.021 -9.195 199 HG1 THR 25 HG1 THR 25 68.033 0.723 -8.712 200 HG21 THR 25 HG21 THR 25 65.089 0.302 -9.858 201 HG22 THR 25 HG22 THR 25 64.627 0.564 -8.175 202 HG23 THR 25 HG23 THR 25 64.497 -1.045 -8.886 203 H LEU 26 HN LEU 26 64.633 -2.535 -5.934 204 HA LEU 26 HA LEU 26 65.174 -5.091 -7.307 205 HB2 LEU 26 HB2 LEU 26 63.508 -4.480 -4.855 206 HB3 LEU 26 HB1 LEU 26 63.837 -6.085 -5.504 207 HG LEU 26 HG LEU 26 65.949 -4.140 -4.527 208 HD11 LEU 26 HD11 LEU 26 64.643 -4.942 -2.658 209 HD12 LEU 26 HD12 LEU 26 66.162 -5.838 -2.670 210 HD13 LEU 26 HD13 LEU 26 64.685 -6.594 -3.274 211 HD21 LEU 26 HD21 LEU 26 67.069 -5.511 -6.066 212 HD22 LEU 26 HD22 LEU 26 66.019 -6.895 -5.760 213 HD23 LEU 26 HD23 LEU 26 67.254 -6.444 -4.584 214 H SER 27 HN SER 27 62.964 -6.428 -7.155 215 HA SER 27 HA SER 27 61.108 -5.046 -8.982 216 HB2 SER 27 HB2 SER 27 62.168 -7.280 -9.587 217 HB3 SER 27 HB1 SER 27 61.181 -7.991 -8.316 218 HG SER 27 HG SER 27 59.782 -8.094 -9.905 219 H GLU 28 HN GLU 28 61.377 -6.280 -5.758 220 HA GLU 28 HA GLU 28 58.547 -5.591 -5.262 221 HB2 GLU 28 HB2 GLU 28 58.652 -8.031 -5.653 222 HB3 GLU 28 HB1 GLU 28 59.867 -8.176 -4.387 223 HG2 GLU 28 HG2 GLU 28 57.716 -8.768 -3.450 224 HG3 GLU 28 HG1 GLU 28 58.193 -7.225 -2.759 225 H ALA 29 HN ALA 29 58.068 -5.007 -3.131 226 HA ALA 29 HA ALA 29 60.351 -3.987 -1.614 227 HB1 ALA 29 HB1 ALA 29 58.721 -2.750 -0.339 228 HB2 ALA 29 HB2 ALA 29 57.399 -3.702 -1.015 229 HB3 ALA 29 HB3 ALA 29 58.304 -2.589 -2.044 230 H VAL 30 HN VAL 30 61.170 -4.923 0.117 231 HA VAL 30 HA VAL 30 59.786 -7.271 1.241 232 HB VAL 30 HB VAL 30 62.688 -6.448 1.428 233 HG11 VAL 30 HG11 VAL 30 61.326 -9.081 2.044 234 HG12 VAL 30 HG12 VAL 30 61.836 -7.914 3.263 235 HG13 VAL 30 HG13 VAL 30 63.037 -8.710 2.249 236 HG21 VAL 30 HG21 VAL 30 61.296 -8.488 -0.336 237 HG22 VAL 30 HG22 VAL 30 63.037 -8.255 -0.232 238 HG23 VAL 30 HG23 VAL 30 62.017 -6.977 -0.887 239 HA PRO 31 HA PRO 31 59.066 -4.741 4.888 240 HB2 PRO 31 HB2 PRO 31 58.978 -7.017 6.689 241 HB3 PRO 31 HB1 PRO 31 57.627 -6.059 6.074 242 HG2 PRO 31 HG2 PRO 31 58.373 -8.716 5.345 243 HG3 PRO 31 HG1 PRO 31 57.039 -7.746 4.709 244 HD2 PRO 31 HD2 PRO 31 59.514 -8.451 3.379 245 HD3 PRO 31 HD1 PRO 31 58.141 -7.522 2.737 246 H VAL 32 HN VAL 32 59.978 -5.709 7.501 247 HA VAL 32 HA VAL 32 62.917 -5.438 7.147 248 HB VAL 32 HB VAL 32 61.227 -4.501 9.482 249 HG11 VAL 32 HG11 VAL 32 64.153 -4.151 8.766 250 HG12 VAL 32 HG12 VAL 32 63.514 -5.107 10.103 251 HG13 VAL 32 HG13 VAL 32 63.347 -3.350 10.115 252 HG21 VAL 32 HG21 VAL 32 60.717 -3.049 7.655 253 HG22 VAL 32 HG22 VAL 32 62.386 -3.059 7.086 254 HG23 VAL 32 HG23 VAL 32 61.967 -2.213 8.576 255 H GLY 33 HN GLY 33 63.601 -7.473 7.305 256 HA2 GLY 33 HA2 GLY 33 64.102 -8.844 9.556 257 HA3 GLY 33 HA1 GLY 33 62.453 -9.356 9.195 258 H GLU 34 HN GLU 34 62.663 -9.247 6.342 259 HA GLU 34 HA GLU 34 64.048 -11.774 5.887 260 HB2 GLU 34 HB2 GLU 34 62.325 -10.023 4.137 261 HB3 GLU 34 HB1 GLU 34 63.052 -11.526 3.586 262 HG2 GLU 34 HG2 GLU 34 61.860 -12.763 5.334 263 HG3 GLU 34 HG1 GLU 34 61.182 -11.260 5.959 264 H ALA 35 HN ALA 35 64.717 -8.470 5.678 265 HA ALA 35 HA ALA 35 66.948 -8.881 3.757 266 HB1 ALA 35 HB1 ALA 35 65.501 -7.182 2.901 267 HB2 ALA 35 HB2 ALA 35 66.866 -6.331 3.627 268 HB3 ALA 35 HB3 ALA 35 65.331 -6.432 4.489 269 H SER 36 HN SER 36 69.035 -8.400 4.439 270 HA SER 36 HA SER 36 69.339 -7.488 7.251 271 HB2 SER 36 HB2 SER 36 69.854 -9.877 7.002 272 HB3 SER 36 HB1 SER 36 70.989 -9.506 5.707 273 HG SER 36 HG SER 36 71.797 -9.740 7.982 274 H TRP 37 HN TRP 37 70.474 -5.702 7.485 275 HA TRP 37 HA TRP 37 72.417 -4.918 5.378 276 HB2 TRP 37 HB2 TRP 37 70.515 -3.174 6.955 277 HB3 TRP 37 HB1 TRP 37 71.828 -2.559 5.957 278 HD1 TRP 37 HD1 TRP 37 68.333 -3.919 5.783 279 HE1 TRP 37 HE1 TRP 37 67.516 -3.867 3.337 280 HE3 TRP 37 HE3 TRP 37 72.715 -2.820 3.415 281 HZ2 TRP 37 HZ2 TRP 37 68.582 -3.412 0.721 282 HZ3 TRP 37 HZ3 TRP 37 72.790 -2.580 0.949 283 HH2 TRP 37 HH2 TRP 37 70.729 -2.875 -0.399 284 H TYR 38 HN TYR 38 74.274 -5.517 6.389 285 HA TYR 38 HA TYR 38 75.083 -3.932 8.695 286 HB2 TYR 38 HB2 TYR 38 75.064 -6.959 8.837 287 HB3 TYR 38 HB1 TYR 38 75.904 -5.901 9.976 288 HD1 TYR 38 HD2 TYR 38 72.570 -6.895 8.669 289 HD2 TYR 38 HD1 TYR 38 74.713 -4.685 11.665 290 HE1 TYR 38 HE2 TYR 38 70.471 -6.606 9.959 291 HE2 TYR 38 HE1 TYR 38 72.614 -4.396 12.953 292 HH TYR 38 HH TYR 38 70.431 -4.758 13.008 293 H ILE 39 HN ILE 39 77.295 -3.774 8.939 294 HA ILE 39 HA ILE 39 78.957 -5.052 6.849 295 HB ILE 39 HB ILE 39 80.117 -3.018 6.439 296 HG12 ILE 39 HG12 ILE 39 80.323 -2.187 8.762 297 HG13 ILE 39 HG11 ILE 39 79.754 -0.935 7.674 298 HG21 ILE 39 HG21 ILE 39 77.189 -2.346 6.759 299 HG22 ILE 39 HG22 ILE 39 77.917 -3.143 5.367 300 HG23 ILE 39 HG23 ILE 39 78.338 -1.473 5.747 301 HD11 ILE 39 HD11 ILE 39 78.238 -2.391 9.810 302 HD12 ILE 39 HD12 ILE 39 77.359 -1.725 8.446 303 HD13 ILE 39 HD13 ILE 39 78.311 -0.670 9.477 304 H ASN 40 HN ASN 40 80.640 -6.265 7.748 305 HA ASN 40 HA ASN 40 80.889 -6.698 10.415 306 HB2 ASN 40 HB2 ASN 40 81.961 -8.023 8.592 307 HB3 ASN 40 HB1 ASN 40 83.167 -6.746 8.427 308 HD21 ASN 40 HD21 ASN 40 81.828 -9.053 10.836 309 HD22 ASN 40 HD22 ASN 40 83.252 -9.150 11.755 310 H GLY 41 HN GLY 41 81.757 -5.754 12.100 311 HA2 GLY 41 HA2 GLY 41 83.355 -4.454 13.261 312 HA3 GLY 41 HA1 GLY 41 83.695 -3.566 11.779 313 H ALA 42 HN ALA 42 80.334 -3.966 12.171 314 HA ALA 42 HA ALA 42 79.902 -1.786 13.989 315 HB1 ALA 42 HB1 ALA 42 80.659 -0.322 12.329 316 HB2 ALA 42 HB2 ALA 42 78.911 -0.305 12.097 317 HB3 ALA 42 HB3 ALA 42 79.934 -1.267 11.029 318 H ALA 43 HN ALA 43 77.970 -2.052 14.856 319 HA ALA 43 HA ALA 43 75.918 -3.628 13.426 320 HB1 ALA 43 HB1 ALA 43 74.787 -3.523 15.724 321 HB2 ALA 43 HB2 ALA 43 76.307 -2.864 16.326 322 HB3 ALA 43 HB3 ALA 43 76.263 -4.480 15.622 323 H VAL 44 HN VAL 44 74.570 -2.392 12.234 324 HA VAL 44 HA VAL 44 74.307 0.413 12.731 325 HB VAL 44 HB VAL 44 72.420 0.111 10.908 326 HG11 VAL 44 HG11 VAL 44 75.373 -0.372 10.437 327 HG12 VAL 44 HG12 VAL 44 74.528 1.177 10.420 328 HG13 VAL 44 HG13 VAL 44 74.215 -0.013 9.154 329 HG21 VAL 44 HG21 VAL 44 72.475 -1.895 9.680 330 HG22 VAL 44 HG22 VAL 44 72.482 -2.435 11.355 331 HG23 VAL 44 HG23 VAL 44 73.981 -2.428 10.424 332 H GLN 45 HN GLN 45 73.307 1.065 14.476 333 HA GLN 45 HA GLN 45 70.773 -0.143 15.339 334 HB2 GLN 45 HB2 GLN 45 72.866 1.594 16.562 335 HB3 GLN 45 HB1 GLN 45 71.219 1.920 17.090 336 HG2 GLN 45 HG2 GLN 45 72.357 0.254 18.539 337 HG3 GLN 45 HG1 GLN 45 70.934 -0.420 17.747 338 HE21 GLN 45 HE21 GLN 45 74.511 -0.283 17.496 339 HE22 GLN 45 HE22 GLN 45 74.657 -1.748 16.651 340 HA PRO 46 HA PRO 46 68.159 2.815 13.407 341 HB2 PRO 46 HB2 PRO 46 66.776 3.778 15.761 342 HB3 PRO 46 HB1 PRO 46 66.216 2.580 14.587 343 HG2 PRO 46 HG2 PRO 46 67.288 2.169 17.266 344 HG3 PRO 46 HG1 PRO 46 66.425 1.032 16.223 345 HD2 PRO 46 HD2 PRO 46 69.150 0.896 16.827 346 HD3 PRO 46 HD1 PRO 46 68.375 0.095 15.447 347 H ASP 47 HN ASP 47 70.055 3.767 16.173 348 HA ASP 47 HA ASP 47 69.810 6.633 15.545 349 HB2 ASP 47 HB2 ASP 47 71.063 5.153 17.862 350 HB3 ASP 47 HB1 ASP 47 71.116 6.904 17.664 351 H ASP 48 HN ASP 48 71.504 4.458 14.025 352 HA ASP 48 HA ASP 48 74.216 4.869 14.365 353 HB2 ASP 48 HB2 ASP 48 72.644 4.592 11.802 354 HB3 ASP 48 HB1 ASP 48 74.403 4.499 11.893 355 H SER 49 HN SER 49 75.548 6.568 14.191 356 HA SER 49 HA SER 49 74.472 9.125 13.259 357 HB2 SER 49 HB2 SER 49 76.332 10.119 14.372 358 HB3 SER 49 HB1 SER 49 75.728 8.853 15.438 359 HG SER 49 HG SER 49 77.356 7.482 14.456 360 H ASP 50 HN ASP 50 77.066 6.826 12.431 361 HA ASP 50 HA ASP 50 77.938 8.559 10.223 362 HB2 ASP 50 HB2 ASP 50 79.613 7.487 11.729 363 HB3 ASP 50 HB1 ASP 50 79.069 5.914 11.149 364 H TRP 51 HN TRP 51 76.344 5.477 10.818 365 HA TRP 51 HA TRP 51 76.219 4.924 7.914 366 HB2 TRP 51 HB2 TRP 51 75.676 3.230 10.359 367 HB3 TRP 51 HB1 TRP 51 75.301 2.701 8.721 368 HD1 TRP 51 HD1 TRP 51 77.449 2.640 6.984 369 HE1 TRP 51 HE1 TRP 51 79.898 1.990 7.468 370 HE3 TRP 51 HE3 TRP 51 77.510 3.171 12.062 371 HZ2 TRP 51 HZ2 TRP 51 81.647 1.723 9.719 372 HZ3 TRP 51 HZ3 TRP 51 79.576 2.711 13.351 373 HH2 TRP 51 HH2 TRP 51 81.641 1.987 12.189 374 H THR 52 HN THR 52 74.280 4.874 6.818 375 HA THR 52 HA THR 52 71.798 5.281 8.394 376 HB THR 52 HB THR 52 72.370 6.722 5.802 377 HG1 THR 52 HG1 THR 52 72.165 8.257 8.010 378 HG21 THR 52 HG21 THR 52 70.015 6.429 6.217 379 HG22 THR 52 HG22 THR 52 70.422 8.097 6.623 380 HG23 THR 52 HG23 THR 52 70.203 6.907 7.904 381 H VAL 53 HN VAL 53 70.196 3.935 7.825 382 HA VAL 53 HA VAL 53 70.379 2.523 5.218 383 HB VAL 53 HB VAL 53 70.966 0.994 7.056 384 HG11 VAL 53 HG11 VAL 53 69.462 0.570 8.882 385 HG12 VAL 53 HG12 VAL 53 68.196 1.555 8.150 386 HG13 VAL 53 HG13 VAL 53 69.653 2.321 8.785 387 HG21 VAL 53 HG21 VAL 53 69.439 -0.745 6.487 388 HG22 VAL 53 HG22 VAL 53 69.504 0.300 5.069 389 HG23 VAL 53 HG23 VAL 53 68.134 0.400 6.175 390 H THR 54 HN THR 54 68.567 2.577 4.005 391 HA THR 54 HA THR 54 66.008 3.298 5.276 392 HB THR 54 HB THR 54 65.628 5.156 3.926 393 HG1 THR 54 HG1 THR 54 66.743 3.855 2.099 394 HG21 THR 54 HG21 THR 54 68.606 5.236 4.454 395 HG22 THR 54 HG22 THR 54 67.362 5.572 5.657 396 HG23 THR 54 HG23 THR 54 67.542 6.628 4.256 397 H ALA 55 HN ALA 55 64.161 2.814 4.030 398 HA ALA 55 HA ALA 55 64.555 1.256 1.556 399 HB1 ALA 55 HB1 ALA 55 63.380 -0.631 2.342 400 HB2 ALA 55 HB2 ALA 55 62.773 0.225 3.761 401 HB3 ALA 55 HB3 ALA 55 64.474 -0.231 3.666 402 H ASP 56 HN ASP 56 63.436 2.498 0.184 403 HA ASP 56 HA ASP 56 60.733 3.453 0.956 404 HB2 ASP 56 HB2 ASP 56 62.710 4.439 -1.114 405 HB3 ASP 56 HB1 ASP 56 61.037 4.990 -1.029 406 H GLY 57 HN GLY 57 59.313 1.897 0.337 407 HA2 GLY 57 HA2 GLY 57 58.108 0.502 -1.043 408 HA3 GLY 57 HA1 GLY 57 58.743 1.455 -2.381 409 H SER 58 HN SER 58 59.646 0.158 -3.851 410 HA SER 58 HA SER 58 60.966 -2.331 -3.021 411 HB2 SER 58 HB2 SER 58 59.276 -2.356 -4.858 412 HB3 SER 58 HB1 SER 58 60.351 -1.330 -5.804 413 HG SER 58 HG SER 58 60.560 -4.013 -5.117 414 H HIS 59 HN HIS 59 62.298 0.124 -2.400 415 HA HIS 59 HA HIS 59 64.776 -0.307 -3.937 416 HB2 HIS 59 HB2 HIS 59 63.795 2.484 -3.351 417 HB3 HIS 59 HB1 HIS 59 65.060 1.971 -4.471 418 HD1 HIS 59 HD1 HIS 59 63.936 0.070 -6.323 419 HD2 HIS 59 HD2 HIS 59 61.505 3.073 -4.757 420 HE1 HIS 59 HE1 HIS 59 61.956 0.277 -7.888 421 H HIS 60 HN HIS 60 66.682 0.367 -2.838 422 HA HIS 60 HA HIS 60 66.357 0.970 0.054 423 HB2 HIS 60 HB2 HIS 60 68.170 -1.077 -1.251 424 HB3 HIS 60 HB1 HIS 60 68.390 -0.509 0.404 425 HD1 HIS 60 HD1 HIS 60 65.573 -1.968 -1.727 426 HD2 HIS 60 HD2 HIS 60 66.902 -1.959 2.224 427 HE1 HIS 60 HE1 HIS 60 64.026 -3.513 -0.447 428 H ALA 61 HN ALA 61 68.343 1.963 1.023 429 HA ALA 61 HA ALA 61 70.301 3.063 -0.792 430 HB1 ALA 61 HB1 ALA 61 68.462 4.596 -1.230 431 HB2 ALA 61 HB2 ALA 61 69.739 5.426 -0.341 432 HB3 ALA 61 HB3 ALA 61 68.277 4.905 0.496 433 H LEU 62 HN LEU 62 71.840 2.194 0.550 434 HA LEU 62 HA LEU 62 72.029 3.215 3.315 435 HB2 LEU 62 HB2 LEU 62 72.022 0.721 2.907 436 HB3 LEU 62 HB1 LEU 62 73.545 0.914 2.052 437 HG LEU 62 HG LEU 62 73.333 2.061 4.832 438 HD11 LEU 62 HD11 LEU 62 73.918 -0.084 5.845 439 HD12 LEU 62 HD12 LEU 62 73.831 -0.876 4.271 440 HD13 LEU 62 HD13 LEU 62 72.371 -0.224 5.011 441 HD21 LEU 62 HD21 LEU 62 75.718 1.179 4.886 442 HD22 LEU 62 HD22 LEU 62 75.428 2.443 3.699 443 HD23 LEU 62 HD23 LEU 62 75.530 0.759 3.187 444 H LEU 63 HN LEU 63 73.611 4.729 3.759 445 HA LEU 63 HA LEU 63 75.805 5.037 1.770 446 HB2 LEU 63 HB2 LEU 63 75.833 7.498 2.472 447 HB3 LEU 63 HB1 LEU 63 74.471 6.970 1.478 448 HG LEU 63 HG LEU 63 73.146 6.644 3.603 449 HD11 LEU 63 HD11 LEU 63 74.177 8.170 5.515 450 HD12 LEU 63 HD12 LEU 63 75.707 7.753 4.748 451 HD13 LEU 63 HD13 LEU 63 74.658 6.481 5.375 452 HD21 LEU 63 HD21 LEU 63 72.708 8.610 2.321 453 HD22 LEU 63 HD22 LEU 63 74.228 9.358 2.813 454 HD23 LEU 63 HD23 LEU 63 72.919 9.172 3.980 455 H LEU 64 HN LEU 64 77.421 6.658 2.768 456 HA LEU 64 HA LEU 64 78.148 6.077 5.525 457 HB2 LEU 64 HB2 LEU 64 79.313 4.322 4.083 458 HB3 LEU 64 HB1 LEU 64 80.143 5.656 3.283 459 HG LEU 64 HG LEU 64 81.020 6.402 5.492 460 HD11 LEU 64 HD11 LEU 64 79.402 4.050 6.406 461 HD12 LEU 64 HD12 LEU 64 79.660 5.604 7.194 462 HD13 LEU 64 HD13 LEU 64 80.921 4.376 7.238 463 HD21 LEU 64 HD21 LEU 64 82.597 4.420 5.759 464 HD22 LEU 64 HD22 LEU 64 82.473 5.068 4.124 465 HD23 LEU 64 HD23 LEU 64 81.620 3.586 4.552 466 H ARG 65 HN ARG 65 78.592 8.072 6.338 467 HA ARG 65 HA ARG 65 78.814 10.301 4.628 468 HB2 ARG 65 HB2 ARG 65 79.645 10.048 7.542 469 HB3 ARG 65 HB1 ARG 65 79.434 11.564 6.675 470 HG2 ARG 65 HG2 ARG 65 77.215 9.526 6.985 471 HG3 ARG 65 HG1 ARG 65 77.466 10.850 8.119 472 HD2 ARG 65 HD2 ARG 65 77.351 12.411 6.080 473 HD3 ARG 65 HD1 ARG 65 76.729 11.023 5.191 474 HE ARG 65 HE ARG 65 75.367 12.444 7.372 475 HH11 ARG 65 HH21 ARG 65 74.106 12.053 4.670 476 HH12 ARG 65 HH22 ARG 65 73.009 10.744 4.960 477 HH21 ARG 65 HH11 ARG 65 74.507 9.798 7.940 478 HH22 ARG 65 HH12 ARG 65 73.234 9.471 6.813 479 H SER 66 HN SER 66 81.198 11.129 6.602 480 HA SER 66 HA SER 66 83.259 10.744 4.604 481 HB2 SER 66 HB2 SER 66 83.549 12.010 7.328 482 HB3 SER 66 HB1 SER 66 84.569 12.249 5.912 483 HG SER 66 HG SER 66 82.966 13.382 4.947 484 H ALA 67 HN ALA 67 84.197 8.806 4.521 485 HA ALA 67 HA ALA 67 84.431 6.994 6.683 486 HB1 ALA 67 HB1 ALA 67 84.486 6.428 4.234 487 HB2 ALA 67 HB2 ALA 67 85.757 5.667 5.193 488 HB3 ALA 67 HB3 ALA 67 86.130 7.073 4.188 489 H GLN 68 HN GLN 68 86.103 6.493 8.039 490 HA GLN 68 HA GLN 68 88.575 8.104 7.904 491 HB2 GLN 68 HB2 GLN 68 86.737 7.748 10.271 492 HB3 GLN 68 HB1 GLN 68 88.444 8.139 10.482 493 HG2 GLN 68 HG2 GLN 68 88.217 10.182 9.243 494 HG3 GLN 68 HG1 GLN 68 86.597 9.745 8.704 495 HE21 GLN 68 HE21 GLN 68 86.783 12.176 9.977 496 HE22 GLN 68 HE22 GLN 68 86.152 12.081 11.550 497 HA PRO 69 HA PRO 69 90.514 4.147 8.251 498 HB2 PRO 69 HB2 PRO 69 92.609 4.965 10.079 499 HB3 PRO 69 HB1 PRO 69 92.718 4.718 8.334 500 HG2 PRO 69 HG2 PRO 69 92.605 7.206 9.815 501 HG3 PRO 69 HG1 PRO 69 92.940 6.949 8.098 502 HD2 PRO 69 HD2 PRO 69 90.584 8.078 9.181 503 HD3 PRO 69 HD1 PRO 69 90.804 7.523 7.510 504 H HIS 70 HN HIS 70 88.676 3.337 9.428 505 HA HIS 70 HA HIS 70 89.275 2.050 11.842 506 HB2 HIS 70 HB2 HIS 70 89.107 4.285 12.877 507 HB3 HIS 70 HB1 HIS 70 87.492 4.477 12.206 508 HD1 HIS 70 HD1 HIS 70 89.337 1.926 14.375 509 HD2 HIS 70 HD2 HIS 70 85.561 3.652 13.996 510 HE1 HIS 70 HE1 HIS 70 87.931 0.992 16.262 511 H HIS 71 HN HIS 71 86.945 3.268 9.560 512 HA HIS 71 HA HIS 71 84.823 1.477 10.426 513 HB2 HIS 71 HB2 HIS 71 85.046 3.384 8.091 514 HB3 HIS 71 HB1 HIS 71 83.604 2.450 8.487 515 HD1 HIS 71 HD1 HIS 71 82.636 2.893 10.998 516 HD2 HIS 71 HD2 HIS 71 85.248 5.766 9.488 517 HE1 HIS 71 HE1 HIS 71 82.322 4.964 12.423 518 H ALA 72 HN ALA 72 87.602 0.989 8.671 519 HA ALA 72 HA ALA 72 86.738 -0.401 6.392 520 HB1 ALA 72 HB1 ALA 72 89.181 -1.011 8.067 521 HB2 ALA 72 HB2 ALA 72 89.096 0.257 6.843 522 HB3 ALA 72 HB3 ALA 72 88.928 -1.435 6.374 523 H GLY 73 HN GLY 73 86.311 -2.557 5.983 524 HA2 GLY 73 HA2 GLY 73 86.547 -4.721 7.699 525 HA3 GLY 73 HA1 GLY 73 84.981 -3.998 8.058 526 H GLU 74 HN GLU 74 83.376 -5.007 7.036 527 HA GLU 74 HA GLU 74 83.674 -5.665 4.174 528 HB2 GLU 74 HB2 GLU 74 84.244 -7.722 5.417 529 HB3 GLU 74 HB1 GLU 74 82.699 -7.637 6.259 530 HG2 GLU 74 HG2 GLU 74 81.492 -7.865 4.147 531 HG3 GLU 74 HG1 GLU 74 83.011 -7.840 3.250 532 H VAL 75 HN VAL 75 81.660 -5.892 3.066 533 HA VAL 75 HA VAL 75 79.313 -4.795 4.520 534 HB VAL 75 HB VAL 75 80.320 -4.199 1.732 535 HG11 VAL 75 HG11 VAL 75 78.022 -4.507 1.322 536 HG12 VAL 75 HG12 VAL 75 78.144 -2.779 1.647 537 HG13 VAL 75 HG13 VAL 75 77.561 -3.873 2.903 538 HG21 VAL 75 HG21 VAL 75 80.520 -1.983 2.473 539 HG22 VAL 75 HG22 VAL 75 81.012 -2.895 3.900 540 HG23 VAL 75 HG23 VAL 75 79.387 -2.220 3.802 541 H THR 76 HN THR 76 77.773 -6.277 4.687 542 HA THR 76 HA THR 76 77.358 -8.204 2.470 543 HB THR 76 HB THR 76 77.217 -8.724 5.449 544 HG1 THR 76 HG1 THR 76 79.160 -8.920 3.575 545 HG21 THR 76 HG21 THR 76 75.516 -10.033 4.339 546 HG22 THR 76 HG22 THR 76 76.871 -11.100 4.692 547 HG23 THR 76 HG23 THR 76 76.635 -10.489 3.059 548 H PHE 77 HN PHE 77 75.387 -8.300 1.688 549 HA PHE 77 HA PHE 77 73.055 -7.595 3.337 550 HB2 PHE 77 HB2 PHE 77 73.218 -5.565 2.174 551 HB3 PHE 77 HB1 PHE 77 73.804 -6.336 0.702 552 HD1 PHE 77 HD2 PHE 77 70.825 -5.758 2.838 553 HD2 PHE 77 HD1 PHE 77 72.273 -7.230 -0.923 554 HE1 PHE 77 HE2 PHE 77 68.500 -5.852 1.986 555 HE2 PHE 77 HE1 PHE 77 69.947 -7.321 -1.781 556 HZ PHE 77 HZ PHE 77 68.061 -6.633 -0.327 557 H ALA 78 HN ALA 78 71.278 -8.825 2.937 558 HA ALA 78 HA ALA 78 71.280 -10.627 0.613 559 HB1 ALA 78 HB1 ALA 78 70.944 -12.626 2.052 560 HB2 ALA 78 HB2 ALA 78 71.303 -11.639 3.469 561 HB3 ALA 78 HB3 ALA 78 72.545 -11.911 2.247 562 H CYS 79 HN CYS 79 69.232 -11.647 0.245 563 HA CYS 79 HA CYS 79 66.998 -10.948 1.960 564 HB2 CYS 79 HB2 CYS 79 67.619 -8.954 0.369 565 HB3 CYS 79 HB1 CYS 79 66.802 -9.930 -0.855 566 HG CYS 79 HG CYS 79 64.631 -9.857 0.600 567 H ARG 80 HN ARG 80 65.162 -11.171 -0.374 568 HA ARG 80 HA ARG 80 64.586 -13.888 -0.251 569 HB2 ARG 80 HB2 ARG 80 63.968 -11.992 -2.529 570 HB3 ARG 80 HB1 ARG 80 63.147 -13.513 -2.199 571 HG2 ARG 80 HG2 ARG 80 63.274 -11.308 -0.134 572 HG3 ARG 80 HG1 ARG 80 62.010 -11.346 -1.361 573 HD2 ARG 80 HD2 ARG 80 62.577 -13.472 0.728 574 HD3 ARG 80 HD1 ARG 80 61.166 -12.432 0.626 575 HE ARG 80 HE ARG 80 61.172 -13.746 -1.772 576 HH11 ARG 80 HH21 ARG 80 62.489 -15.630 0.518 577 HH12 ARG 80 HH22 ARG 80 61.160 -16.720 0.733 578 HH21 ARG 80 HH11 ARG 80 58.928 -14.770 -1.069 579 HH22 ARG 80 HH12 ARG 80 59.146 -16.238 -0.177 580 H ASP 81 HN ASP 81 66.464 -15.082 -0.509 581 HA ASP 81 HA ASP 81 68.110 -16.227 -1.616 582 HB2 ASP 81 HB2 ASP 81 65.987 -17.046 -2.718 583 HB3 ASP 81 HB1 ASP 81 66.302 -15.895 -4.015 584 H ALA 82 HN ALA 82 67.791 -13.092 -1.982 585 HA ALA 82 HA ALA 82 69.501 -12.743 -4.351 586 HB1 ALA 82 HB1 ALA 82 67.607 -11.185 -4.023 587 HB2 ALA 82 HB2 ALA 82 69.156 -10.344 -3.985 588 HB3 ALA 82 HB3 ALA 82 68.301 -10.682 -2.481 589 H VAL 83 HN VAL 83 71.471 -13.576 -3.705 590 HA VAL 83 HA VAL 83 72.713 -12.606 -1.232 591 HB VAL 83 HB VAL 83 72.873 -14.997 -1.836 592 HG11 VAL 83 HG11 VAL 83 72.992 -14.414 -4.363 593 HG12 VAL 83 HG12 VAL 83 73.981 -15.752 -3.780 594 HG13 VAL 83 HG13 VAL 83 74.717 -14.179 -4.083 595 HG21 VAL 83 HG21 VAL 83 75.579 -13.651 -2.044 596 HG22 VAL 83 HG22 VAL 83 75.211 -15.221 -1.333 597 HG23 VAL 83 HG23 VAL 83 74.668 -13.744 -0.537 598 H ALA 84 HN ALA 84 74.053 -10.937 -1.180 599 HA ALA 84 HA ALA 84 75.816 -10.327 -3.406 600 HB1 ALA 84 HB1 ALA 84 74.990 -8.032 -3.687 601 HB2 ALA 84 HB2 ALA 84 73.701 -8.348 -2.522 602 HB3 ALA 84 HB3 ALA 84 73.723 -9.199 -4.067 603 H SER 85 HN SER 85 77.723 -9.780 -2.503 604 HA SER 85 HA SER 85 77.825 -7.940 -0.261 605 HB2 SER 85 HB2 SER 85 79.127 -9.510 1.171 606 HB3 SER 85 HB1 SER 85 77.447 -9.989 0.952 607 HG SER 85 HG SER 85 78.800 -11.760 0.615 608 H ALA 86 HN ALA 86 79.692 -6.816 -0.201 609 HA ALA 86 HA ALA 86 82.052 -7.808 -1.667 610 HB1 ALA 86 HB1 ALA 86 80.635 -6.241 -3.105 611 HB2 ALA 86 HB2 ALA 86 82.318 -5.784 -2.872 612 HB3 ALA 86 HB3 ALA 86 81.052 -4.975 -1.946 613 H ARG 87 HN ARG 87 84.023 -6.928 -0.918 614 HA ARG 87 HA ARG 87 83.960 -6.180 1.863 615 HB2 ARG 87 HB2 ARG 87 86.426 -6.283 1.669 616 HB3 ARG 87 HB1 ARG 87 85.643 -7.732 1.037 617 HG2 ARG 87 HG2 ARG 87 85.803 -6.817 -1.255 618 HG3 ARG 87 HG1 ARG 87 86.604 -5.380 -0.621 619 HD2 ARG 87 HD2 ARG 87 88.437 -6.781 0.250 620 HD3 ARG 87 HD1 ARG 87 87.641 -8.218 -0.386 621 HE ARG 87 HE ARG 87 87.918 -6.499 -2.542 622 HH11 ARG 87 HH11 ARG 87 90.096 -7.625 -0.123 623 HH12 ARG 87 HH12 ARG 87 91.395 -7.931 -1.227 624 HH21 ARG 87 HH21 ARG 87 89.550 -7.081 -4.039 625 HH22 ARG 87 HH22 ARG 87 91.084 -7.622 -3.445 626 H LEU 88 HN LEU 88 84.616 -4.340 2.829 627 HA LEU 88 HA LEU 88 84.916 -1.913 1.154 628 HB2 LEU 88 HB2 LEU 88 82.882 -1.985 2.588 629 HB3 LEU 88 HB1 LEU 88 83.910 -2.185 4.003 630 HG LEU 88 HG LEU 88 85.018 0.005 3.436 631 HD11 LEU 88 HD11 LEU 88 82.971 -0.094 1.226 632 HD12 LEU 88 HD12 LEU 88 84.663 0.393 1.155 633 HD13 LEU 88 HD13 LEU 88 83.473 1.463 1.887 634 HD21 LEU 88 HD21 LEU 88 82.041 -0.128 3.960 635 HD22 LEU 88 HD22 LEU 88 82.947 1.383 4.048 636 HD23 LEU 88 HD23 LEU 88 83.345 0.053 5.134 637 H THR 89 HN THR 89 86.786 -0.734 1.379 638 HA THR 89 HA THR 89 88.502 -1.289 3.728 639 HB THR 89 HB THR 89 89.368 -2.709 1.984 640 HG1 THR 89 HG1 THR 89 91.015 -0.438 1.879 641 HG21 THR 89 HG21 THR 89 88.300 -1.456 0.100 642 HG22 THR 89 HG22 THR 89 89.993 -1.850 -0.198 643 HG23 THR 89 HG23 THR 89 89.539 -0.213 0.279 644 H VAL 90 HN VAL 90 89.607 0.387 4.531 645 HA VAL 90 HA VAL 90 89.220 3.015 3.231 646 HB VAL 90 HB VAL 90 89.913 2.322 6.093 647 HG11 VAL 90 HG11 VAL 90 89.573 4.934 4.616 648 HG12 VAL 90 HG12 VAL 90 90.893 4.431 5.672 649 HG13 VAL 90 HG13 VAL 90 89.319 4.830 6.358 650 HG21 VAL 90 HG21 VAL 90 87.487 1.939 5.071 651 HG22 VAL 90 HG22 VAL 90 87.373 3.692 5.237 652 HG23 VAL 90 HG23 VAL 90 87.680 2.691 6.655 653 H LEU 91 HN LEU 91 90.920 4.006 2.349 654 HA LEU 91 HA LEU 91 93.646 3.098 3.086 655 HB2 LEU 91 HB2 LEU 91 92.941 2.526 0.765 656 HB3 LEU 91 HB1 LEU 91 92.729 4.244 0.440 657 HG LEU 91 HG LEU 91 95.130 4.617 1.017 658 HD11 LEU 91 HD11 LEU 91 96.492 2.339 0.894 659 HD12 LEU 91 HD12 LEU 91 94.992 1.653 1.518 660 HD13 LEU 91 HD13 LEU 91 95.840 2.904 2.428 661 HD21 LEU 91 HD21 LEU 91 94.614 2.534 -1.128 662 HD22 LEU 91 HD22 LEU 91 96.026 3.589 -1.046 663 HD23 LEU 91 HD23 LEU 91 94.426 4.277 -1.319 664 H GLY 92 HN GLY 92 95.033 4.565 3.821 665 HA2 GLY 92 HA2 GLY 92 94.853 7.361 3.117 666 HA3 GLY 92 HA1 GLY 92 94.449 7.027 4.801 667 H LEU 93 HN LEU 93 96.673 8.593 4.012 668 HA LEU 93 HA LEU 93 99.034 6.886 4.412 669 HB2 LEU 93 HB2 LEU 93 98.651 9.757 3.586 670 HB3 LEU 93 HB1 LEU 93 100.231 9.105 4.019 671 HG LEU 93 HG LEU 93 99.977 7.357 2.285 672 HD11 LEU 93 HD11 LEU 93 98.068 7.901 0.569 673 HD12 LEU 93 HD12 LEU 93 97.306 8.711 1.937 674 HD13 LEU 93 HD13 LEU 93 97.677 6.990 2.024 675 HD21 LEU 93 HD21 LEU 93 101.102 9.466 1.715 676 HD22 LEU 93 HD22 LEU 93 99.551 10.197 1.301 677 HD23 LEU 93 HD23 LEU 93 100.189 8.873 0.327 678 HA PRO 94 HA PRO 94 98.477 8.357 8.710 679 HB2 PRO 94 HB2 PRO 94 100.582 6.600 9.631 680 HB3 PRO 94 HB1 PRO 94 98.839 6.442 9.879 681 HG2 PRO 94 HG2 PRO 94 100.467 4.824 8.237 682 HG3 PRO 94 HG1 PRO 94 98.701 4.816 8.324 683 HD2 PRO 94 HD2 PRO 94 100.441 5.924 6.218 684 HD3 PRO 94 HD1 PRO 94 98.705 5.554 6.175 685 H ASP 95 HN ASP 95 101.296 8.282 6.728 686 HA ASP 95 HA ASP 95 103.133 9.573 8.467 687 HB2 ASP 95 HB2 ASP 95 102.980 9.363 5.460 688 HB3 ASP 95 HB1 ASP 95 104.309 10.159 6.302 689 H GLY 96 HN GLY 96 103.677 11.703 8.731 690 HA2 GLY 96 HA2 GLY 96 101.620 13.662 8.037 691 HA3 GLY 96 HA1 GLY 96 102.978 13.910 9.130 692 H LEU 97 HN LEU 97 101.840 14.165 5.893 693 HA LEU 97 HA LEU 97 104.429 14.698 4.711 694 HB2 LEU 97 HB2 LEU 97 101.585 14.820 3.713 695 HB3 LEU 97 HB1 LEU 97 102.934 15.407 2.741 696 HG LEU 97 HG LEU 97 104.027 13.198 2.916 697 HD11 LEU 97 HD11 LEU 97 103.308 12.300 4.976 698 HD12 LEU 97 HD12 LEU 97 102.456 11.315 3.792 699 HD13 LEU 97 HD13 LEU 97 101.609 12.615 4.628 700 HD21 LEU 97 HD21 LEU 97 101.175 13.289 1.911 701 HD22 LEU 97 HD22 LEU 97 102.221 11.896 1.644 702 HD23 LEU 97 HD23 LEU 97 102.659 13.467 0.978 703 H GLU 98 HN GLU 98 105.226 16.679 4.054 704 HA GLU 98 HA GLU 98 104.546 18.921 5.673 705 HB2 GLU 98 HB2 GLU 98 106.318 18.652 3.237 706 HB3 GLU 98 HB1 GLU 98 106.175 20.132 4.188 707 HG2 GLU 98 HG2 GLU 98 106.929 18.948 6.194 708 HG3 GLU 98 HG1 GLU 98 107.010 17.435 5.293 709 H HIS 99 HN HIS 99 103.828 18.007 2.337 710 HA HIS 99 HA HIS 99 101.628 19.926 2.288 711 HB2 HIS 99 HB2 HIS 99 102.332 20.918 0.149 712 HB3 HIS 99 HB1 HIS 99 103.515 21.252 1.414 713 HD1 HIS 99 HD1 HIS 99 103.034 19.352 -1.768 714 HD2 HIS 99 HD2 HIS 99 105.985 19.819 1.139 715 HE1 HIS 99 HE1 HIS 99 105.151 18.345 -2.728 716 H HIS 100 HN HIS 100 99.983 19.288 0.929 717 HA HIS 100 HA HIS 100 100.296 16.617 -0.302 718 HB2 HIS 100 HB2 HIS 100 98.477 17.142 1.449 719 HB3 HIS 100 HB1 HIS 100 97.690 18.071 0.173 720 HD1 HIS 100 HD1 HIS 100 99.453 14.687 0.033 721 HD2 HIS 100 HD2 HIS 100 95.742 16.384 -0.817 722 HE1 HIS 100 HE1 HIS 100 98.045 12.850 -0.996 723 H HIS 101 HN HIS 101 98.225 16.636 -2.099 724 HA HIS 101 HA HIS 101 99.382 17.963 -4.332 725 HB2 HIS 101 HB2 HIS 101 96.666 16.662 -4.023 726 HB3 HIS 101 HB1 HIS 101 97.392 17.146 -5.555 727 HD1 HIS 101 HD1 HIS 101 99.982 16.059 -5.838 728 HD2 HIS 101 HD2 HIS 101 97.251 14.042 -3.419 729 HE1 HIS 101 HE1 HIS 101 100.843 13.688 -5.610 730 H HIS 102 HN HIS 102 98.752 19.779 -5.437 731 HA HIS 102 HA HIS 102 97.484 21.855 -3.951 732 HB2 HIS 102 HB2 HIS 102 97.697 23.138 -6.083 733 HB3 HIS 102 HB1 HIS 102 99.208 22.376 -5.578 734 HD1 HIS 102 HD1 HIS 102 97.628 19.529 -6.600 735 HD2 HIS 102 HD2 HIS 102 98.949 22.825 -8.782 736 HE1 HIS 102 HE1 HIS 102 97.888 18.745 -8.993 737 H HIS 103 HN HIS 103 95.405 22.444 -3.855 738 HA HIS 103 HA HIS 103 93.111 22.071 -3.999 739 HB2 HIS 103 HB2 HIS 103 92.327 22.700 -6.377 740 HB3 HIS 103 HB1 HIS 103 93.255 23.896 -5.475 741 HD1 HIS 103 HD1 HIS 103 93.618 21.373 -8.270 742 HD2 HIS 103 HD2 HIS 103 95.755 24.538 -6.592 743 HE1 HIS 103 HE1 HIS 103 95.559 21.834 -9.830 744 H HIS 104 HN HIS 104 92.742 19.918 -3.557 745 HA HIS 104 HA HIS 104 92.816 17.990 -5.792 746 HB2 HIS 104 HB2 HIS 104 92.489 16.295 -4.012 747 HB3 HIS 104 HB1 HIS 104 93.925 17.282 -3.740 748 HD1 HIS 104 HD1 HIS 104 93.785 19.101 -1.843 749 HD2 HIS 104 HD2 HIS 104 90.453 16.605 -2.081 750 HE1 HIS 104 HE1 HIS 104 92.479 19.442 0.301 Start of MODEL 6 1 H1 TRP 1 HT1 TRP 1 57.928 -19.039 -11.033 2 H2 TRP 1 HT2 TRP 1 57.620 -17.958 -9.757 3 H3 TRP 1 HT3 TRP 1 58.358 -19.456 -9.445 4 HA TRP 1 HA TRP 1 60.368 -18.826 -10.405 5 HB2 TRP 1 HB2 TRP 1 58.790 -16.512 -11.568 6 HB3 TRP 1 HB1 TRP 1 60.537 -16.684 -11.703 7 HD1 TRP 1 HD1 TRP 1 57.366 -17.677 -13.329 8 HE1 TRP 1 HE1 TRP 1 57.810 -19.376 -15.215 9 HE3 TRP 1 HE3 TRP 1 62.224 -18.893 -12.304 10 HZ2 TRP 1 HZ2 TRP 1 59.935 -21.033 -16.164 11 HZ3 TRP 1 HZ3 TRP 1 63.430 -20.536 -13.717 12 HH2 TRP 1 HH2 TRP 1 62.293 -21.606 -15.644 13 H ARG 2 HN ARG 2 61.904 -17.389 -9.399 14 HA ARG 2 HA ARG 2 60.850 -16.142 -6.962 15 HB2 ARG 2 HB2 ARG 2 63.652 -16.815 -7.866 16 HB3 ARG 2 HB1 ARG 2 63.295 -15.949 -6.374 17 HG2 ARG 2 HG2 ARG 2 61.858 -17.836 -5.640 18 HG3 ARG 2 HG1 ARG 2 62.276 -18.708 -7.113 19 HD2 ARG 2 HD2 ARG 2 64.647 -18.686 -6.476 20 HD3 ARG 2 HD1 ARG 2 64.258 -17.781 -5.015 21 HE ARG 2 HE ARG 2 63.683 -20.617 -5.518 22 HH11 ARG 2 HH11 ARG 2 64.781 -18.640 -3.148 23 HH12 ARG 2 HH12 ARG 2 63.704 -19.163 -1.896 24 HH21 ARG 2 HH21 ARG 2 61.648 -20.948 -4.043 25 HH22 ARG 2 HH22 ARG 2 61.926 -20.466 -2.403 26 H LEU 3 HN LEU 3 61.778 -14.038 -6.268 27 HA LEU 3 HA LEU 3 61.366 -12.069 -8.290 28 HB2 LEU 3 HB2 LEU 3 62.459 -11.853 -5.472 29 HB3 LEU 3 HB1 LEU 3 62.143 -10.465 -6.507 30 HG LEU 3 HG LEU 3 60.275 -10.863 -4.953 31 HD11 LEU 3 HD11 LEU 3 58.569 -10.500 -6.485 32 HD12 LEU 3 HD12 LEU 3 59.187 -11.686 -7.631 33 HD13 LEU 3 HD13 LEU 3 59.984 -10.123 -7.466 34 HD21 LEU 3 HD21 LEU 3 59.665 -13.440 -6.393 35 HD22 LEU 3 HD22 LEU 3 59.049 -12.860 -4.850 36 HD23 LEU 3 HD23 LEU 3 60.711 -13.425 -4.971 37 H GLU 4 HN GLU 4 62.774 -11.248 -9.673 38 HA GLU 4 HA GLU 4 65.545 -12.100 -9.615 39 HB2 GLU 4 HB2 GLU 4 65.672 -10.817 -11.762 40 HB3 GLU 4 HB1 GLU 4 64.452 -12.088 -11.753 41 HG2 GLU 4 HG2 GLU 4 62.701 -10.444 -11.272 42 HG3 GLU 4 HG1 GLU 4 63.905 -9.158 -11.185 43 H ILE 5 HN ILE 5 67.344 -10.833 -9.350 44 HA ILE 5 HA ILE 5 66.958 -8.269 -7.994 45 HB ILE 5 HB ILE 5 68.568 -10.062 -7.140 46 HG12 ILE 5 HG12 ILE 5 69.802 -7.376 -7.823 47 HG13 ILE 5 HG11 ILE 5 68.638 -7.624 -6.521 48 HG21 ILE 5 HG21 ILE 5 70.602 -10.474 -8.255 49 HG22 ILE 5 HG22 ILE 5 70.438 -9.052 -9.284 50 HG23 ILE 5 HG23 ILE 5 69.422 -10.468 -9.567 51 HD11 ILE 5 HD11 ILE 5 70.256 -9.444 -5.666 52 HD12 ILE 5 HD12 ILE 5 70.740 -7.764 -5.451 53 HD13 ILE 5 HD13 ILE 5 71.436 -8.722 -6.757 54 H LEU 6 HN LEU 6 66.966 -6.457 -9.189 55 HA LEU 6 HA LEU 6 67.675 -6.538 -11.957 56 HB2 LEU 6 HB2 LEU 6 67.094 -4.135 -10.244 57 HB3 LEU 6 HB1 LEU 6 66.986 -4.239 -11.995 58 HG LEU 6 HG LEU 6 65.319 -5.848 -10.042 59 HD11 LEU 6 HD11 LEU 6 64.781 -3.402 -10.160 60 HD12 LEU 6 HD12 LEU 6 63.468 -4.438 -10.725 61 HD13 LEU 6 HD13 LEU 6 64.489 -3.593 -11.889 62 HD21 LEU 6 HD21 LEU 6 65.547 -5.802 -13.048 63 HD22 LEU 6 HD22 LEU 6 64.018 -6.233 -12.288 64 HD23 LEU 6 HD23 LEU 6 65.461 -7.189 -11.965 65 H GLU 7 HN GLU 7 68.987 -4.415 -9.355 66 HA GLU 7 HA GLU 7 71.683 -4.874 -10.376 67 HB2 GLU 7 HB2 GLU 7 72.060 -2.403 -10.684 68 HB3 GLU 7 HB1 GLU 7 71.013 -3.151 -11.894 69 HG2 GLU 7 HG2 GLU 7 69.027 -2.401 -10.587 70 HG3 GLU 7 HG1 GLU 7 70.106 -1.578 -9.465 71 H LEU 8 HN LEU 8 73.305 -4.306 -8.996 72 HA LEU 8 HA LEU 8 72.611 -3.056 -6.421 73 HB2 LEU 8 HB2 LEU 8 74.324 -4.919 -5.506 74 HB3 LEU 8 HB1 LEU 8 72.589 -5.205 -5.579 75 HG LEU 8 HG LEU 8 72.863 -6.302 -7.784 76 HD11 LEU 8 HD11 LEU 8 75.361 -6.929 -8.295 77 HD12 LEU 8 HD12 LEU 8 75.737 -5.500 -7.333 78 HD13 LEU 8 HD13 LEU 8 74.759 -5.352 -8.793 79 HD21 LEU 8 HD21 LEU 8 73.058 -7.529 -5.560 80 HD22 LEU 8 HD22 LEU 8 74.806 -7.467 -5.775 81 HD23 LEU 8 HD23 LEU 8 73.805 -8.340 -6.937 82 H LEU 9 HN LEU 9 74.296 -1.894 -5.467 83 HA LEU 9 HA LEU 9 76.612 -1.401 -7.243 84 HB2 LEU 9 HB2 LEU 9 75.161 0.237 -5.185 85 HB3 LEU 9 HB1 LEU 9 76.857 0.590 -5.501 86 HG LEU 9 HG LEU 9 76.254 0.726 -7.974 87 HD11 LEU 9 HD11 LEU 9 73.833 1.177 -8.437 88 HD12 LEU 9 HD12 LEU 9 73.462 0.657 -6.792 89 HD13 LEU 9 HD13 LEU 9 74.149 -0.488 -7.946 90 HD21 LEU 9 HD21 LEU 9 74.787 2.690 -6.195 91 HD22 LEU 9 HD22 LEU 9 75.454 2.996 -7.797 92 HD23 LEU 9 HD23 LEU 9 76.533 2.705 -6.434 93 H LYS 10 HN LYS 10 78.379 -2.466 -6.779 94 HA LYS 10 HA LYS 10 79.163 -2.901 -3.953 95 HB2 LYS 10 HB2 LYS 10 79.830 -4.962 -6.054 96 HB3 LYS 10 HB1 LYS 10 79.755 -5.143 -4.311 97 HG2 LYS 10 HG2 LYS 10 77.112 -4.446 -5.418 98 HG3 LYS 10 HG1 LYS 10 77.755 -5.884 -6.171 99 HD2 LYS 10 HD2 LYS 10 76.528 -6.670 -4.320 100 HD3 LYS 10 HD1 LYS 10 78.202 -6.725 -3.770 101 HE2 LYS 10 HE2 LYS 10 77.082 -5.689 -1.976 102 HE3 LYS 10 HE1 LYS 10 77.726 -4.316 -2.874 103 HZ1 LYS 10 HZ1 LYS 10 75.499 -4.417 -4.109 104 HZ2 LYS 10 HZ2 LYS 10 75.530 -3.749 -2.548 105 HZ3 LYS 10 HZ3 LYS 10 74.963 -5.332 -2.787 106 H ASN 11 HN ASN 11 81.598 -4.052 -4.297 107 HA ASN 11 HA ASN 11 83.804 -3.471 -4.611 108 HB2 ASN 11 HB2 ASN 11 83.212 -4.259 -6.897 109 HB3 ASN 11 HB1 ASN 11 82.791 -2.605 -7.332 110 HD21 ASN 11 HD21 ASN 11 84.888 -4.013 -8.689 111 HD22 ASN 11 HD22 ASN 11 86.363 -3.261 -8.309 112 H ALA 12 HN ALA 12 84.490 -1.849 -3.365 113 HA ALA 12 HA ALA 12 84.654 0.774 -4.475 114 HB1 ALA 12 HB1 ALA 12 83.234 1.950 -2.835 115 HB2 ALA 12 HB2 ALA 12 82.667 0.393 -2.235 116 HB3 ALA 12 HB3 ALA 12 82.312 0.882 -3.892 117 H ALA 13 HN ALA 13 85.862 2.175 -3.444 118 HA ALA 13 HA ALA 13 87.206 1.409 -0.915 119 HB1 ALA 13 HB1 ALA 13 88.858 1.145 -2.654 120 HB2 ALA 13 HB2 ALA 13 89.195 2.679 -1.851 121 HB3 ALA 13 HB3 ALA 13 88.381 2.663 -3.417 122 H VAL 14 HN VAL 14 87.588 3.229 0.481 123 HA VAL 14 HA VAL 14 86.308 5.766 -0.361 124 HB VAL 14 HB VAL 14 85.429 5.853 2.059 125 HG11 VAL 14 HG11 VAL 14 84.350 3.831 0.072 126 HG12 VAL 14 HG12 VAL 14 83.966 5.550 0.126 127 HG13 VAL 14 HG13 VAL 14 83.438 4.487 1.433 128 HG21 VAL 14 HG21 VAL 14 85.942 2.869 1.784 129 HG22 VAL 14 HG22 VAL 14 85.026 3.633 3.078 130 HG23 VAL 14 HG23 VAL 14 86.753 3.945 2.921 131 H ARG 15 HN ARG 15 87.875 7.185 -0.397 132 HA ARG 15 HA ARG 15 90.165 7.011 1.336 133 HB2 ARG 15 HB2 ARG 15 90.132 7.986 -1.032 134 HB3 ARG 15 HB1 ARG 15 89.350 9.401 -0.324 135 HG2 ARG 15 HG2 ARG 15 91.229 9.706 1.210 136 HG3 ARG 15 HG1 ARG 15 91.999 8.249 0.580 137 HD2 ARG 15 HD2 ARG 15 92.210 9.268 -1.632 138 HD3 ARG 15 HD1 ARG 15 91.334 10.696 -1.089 139 HE ARG 15 HE ARG 15 93.254 11.397 0.082 140 HH11 ARG 15 HH11 ARG 15 93.737 8.113 0.178 141 HH12 ARG 15 HH12 ARG 15 95.414 8.144 -0.249 142 HH21 ARG 15 HH21 ARG 15 95.411 11.495 -1.125 143 HH22 ARG 15 HH22 ARG 15 96.358 10.054 -0.991 144 H ALA 16 HN ALA 16 90.747 8.657 2.908 145 HA ALA 16 HA ALA 16 88.735 9.214 4.756 146 HB1 ALA 16 HB1 ALA 16 90.334 10.671 5.850 147 HB2 ALA 16 HB2 ALA 16 91.286 10.799 4.371 148 HB3 ALA 16 HB3 ALA 16 91.192 9.260 5.230 149 H GLY 17 HN GLY 17 87.297 10.861 5.023 150 HA2 GLY 17 HA2 GLY 17 86.160 12.839 4.626 151 HA3 GLY 17 HA1 GLY 17 87.568 13.407 3.730 152 H ALA 18 HN ALA 18 85.988 10.390 2.923 153 HA ALA 18 HA ALA 18 84.932 11.627 0.432 154 HB1 ALA 18 HB1 ALA 18 86.907 10.076 0.162 155 HB2 ALA 18 HB2 ALA 18 85.461 9.626 -0.744 156 HB3 ALA 18 HB3 ALA 18 85.869 8.776 0.747 157 H GLN 19 HN GLN 19 82.939 11.052 -0.282 158 HA GLN 19 HA GLN 19 81.197 9.650 1.644 159 HB2 GLN 19 HB2 GLN 19 80.535 11.921 0.914 160 HB3 GLN 19 HB1 GLN 19 80.487 11.358 -0.758 161 HG2 GLN 19 HG2 GLN 19 78.699 9.824 -0.271 162 HG3 GLN 19 HG1 GLN 19 78.851 10.110 1.459 163 HE21 GLN 19 HE21 GLN 19 76.354 10.540 0.191 164 HE22 GLN 19 HE22 GLN 19 76.028 12.206 0.169 165 H ALA 20 HN ALA 20 79.581 8.114 0.790 166 HA ALA 20 HA ALA 20 80.228 6.914 -1.821 167 HB1 ALA 20 HB1 ALA 20 80.334 5.395 0.792 168 HB2 ALA 20 HB2 ALA 20 81.684 5.711 -0.295 169 HB3 ALA 20 HB3 ALA 20 80.372 4.656 -0.807 170 H CYS 21 HN CYS 21 78.598 5.686 -2.710 171 HA CYS 21 HA CYS 21 76.012 5.648 -1.255 172 HB2 CYS 21 HB2 CYS 21 76.232 7.386 -3.131 173 HB3 CYS 21 HB1 CYS 21 76.237 6.014 -4.237 174 HG CYS 21 HG CYS 21 73.760 7.135 -3.282 175 H PHE 22 HN PHE 22 75.190 3.731 -1.037 176 HA PHE 22 HA PHE 22 75.779 1.580 -3.006 177 HB2 PHE 22 HB2 PHE 22 75.569 1.276 0.009 178 HB3 PHE 22 HB1 PHE 22 75.811 -0.030 -1.151 179 HD1 PHE 22 HD2 PHE 22 77.887 0.043 -2.645 180 HD2 PHE 22 HD1 PHE 22 77.415 2.506 0.842 181 HE1 PHE 22 HE2 PHE 22 80.335 0.434 -2.590 182 HE2 PHE 22 HE1 PHE 22 79.864 2.899 0.897 183 HZ PHE 22 HZ PHE 22 81.322 1.865 -0.823 184 H THR 23 HN THR 23 73.859 1.058 -3.951 185 HA THR 23 HA THR 23 71.487 0.787 -2.235 186 HB THR 23 HB THR 23 71.219 3.036 -3.096 187 HG1 THR 23 HG1 THR 23 69.468 2.354 -4.784 188 HG21 THR 23 HG21 THR 23 71.671 1.814 -5.832 189 HG22 THR 23 HG22 THR 23 72.813 2.843 -4.973 190 HG23 THR 23 HG23 THR 23 71.269 3.499 -5.510 191 H CYS 24 HN CYS 24 69.857 -0.598 -3.153 192 HA CYS 24 HA CYS 24 70.709 -2.072 -5.572 193 HB2 CYS 24 HB2 CYS 24 69.739 -3.373 -3.021 194 HB3 CYS 24 HB1 CYS 24 70.242 -4.190 -4.504 195 HG CYS 24 HG CYS 24 72.456 -2.406 -3.428 196 H THR 25 HN THR 25 69.192 -1.281 -6.855 197 HA THR 25 HA THR 25 66.448 -0.953 -6.150 198 HB THR 25 HB THR 25 67.516 -1.296 -8.956 199 HG1 THR 25 HG1 THR 25 68.538 0.304 -7.287 200 HG21 THR 25 HG21 THR 25 65.611 -0.157 -9.633 201 HG22 THR 25 HG22 THR 25 65.473 0.720 -8.112 202 HG23 THR 25 HG23 THR 25 64.967 -0.967 -8.204 203 H LEU 26 HN LEU 26 65.204 -2.672 -5.617 204 HA LEU 26 HA LEU 26 65.617 -5.249 -6.971 205 HB2 LEU 26 HB2 LEU 26 63.744 -4.539 -4.707 206 HB3 LEU 26 HB1 LEU 26 64.135 -6.158 -5.284 207 HG LEU 26 HG LEU 26 66.113 -4.199 -4.079 208 HD11 LEU 26 HD11 LEU 26 64.902 -6.761 -2.998 209 HD12 LEU 26 HD12 LEU 26 64.493 -5.132 -2.462 210 HD13 LEU 26 HD13 LEU 26 66.115 -5.772 -2.182 211 HD21 LEU 26 HD21 LEU 26 66.364 -6.953 -5.294 212 HD22 LEU 26 HD22 LEU 26 67.474 -6.446 -4.017 213 HD23 LEU 26 HD23 LEU 26 67.397 -5.542 -5.526 214 H SER 27 HN SER 27 63.337 -6.444 -7.095 215 HA SER 27 HA SER 27 61.651 -4.789 -8.885 216 HB2 SER 27 HB2 SER 27 61.001 -6.880 -9.943 217 HB3 SER 27 HB1 SER 27 62.759 -6.757 -9.921 218 HG SER 27 HG SER 27 62.194 -8.787 -9.191 219 H GLU 28 HN GLU 28 61.775 -6.334 -5.855 220 HA GLU 28 HA GLU 28 58.828 -6.096 -5.571 221 HB2 GLU 28 HB2 GLU 28 59.524 -8.479 -5.869 222 HB3 GLU 28 HB1 GLU 28 60.519 -8.330 -4.426 223 HG2 GLU 28 HG2 GLU 28 58.420 -9.309 -3.763 224 HG3 GLU 28 HG1 GLU 28 58.448 -7.656 -3.156 225 H ALA 29 HN ALA 29 58.102 -5.410 -3.578 226 HA ALA 29 HA ALA 29 60.085 -4.067 -1.898 227 HB1 ALA 29 HB1 ALA 29 58.149 -2.761 -2.458 228 HB2 ALA 29 HB2 ALA 29 58.022 -3.178 -0.749 229 HB3 ALA 29 HB3 ALA 29 57.061 -4.050 -1.943 230 H VAL 30 HN VAL 30 60.767 -4.808 0.021 231 HA VAL 30 HA VAL 30 59.437 -7.177 1.179 232 HB VAL 30 HB VAL 30 62.281 -6.181 1.461 233 HG11 VAL 30 HG11 VAL 30 61.457 -7.425 3.443 234 HG12 VAL 30 HG12 VAL 30 62.693 -8.325 2.570 235 HG13 VAL 30 HG13 VAL 30 60.998 -8.764 2.390 236 HG21 VAL 30 HG21 VAL 30 61.321 -8.682 0.055 237 HG22 VAL 30 HG22 VAL 30 62.904 -7.912 -0.050 238 HG23 VAL 30 HG23 VAL 30 61.505 -7.152 -0.799 239 HA PRO 31 HA PRO 31 58.439 -4.372 4.535 240 HB2 PRO 31 HB2 PRO 31 58.224 -6.459 6.546 241 HB3 PRO 31 HB1 PRO 31 56.919 -5.581 5.737 242 HG2 PRO 31 HG2 PRO 31 57.585 -8.274 5.367 243 HG3 PRO 31 HG1 PRO 31 56.523 -7.306 4.335 244 HD2 PRO 31 HD2 PRO 31 59.305 -8.190 3.845 245 HD3 PRO 31 HD1 PRO 31 58.051 -7.690 2.692 246 H VAL 32 HN VAL 32 59.170 -5.192 7.334 247 HA VAL 32 HA VAL 32 62.102 -4.745 7.158 248 HB VAL 32 HB VAL 32 60.873 -2.702 7.873 249 HG11 VAL 32 HG11 VAL 32 59.464 -2.654 9.749 250 HG12 VAL 32 HG12 VAL 32 60.122 -4.149 10.415 251 HG13 VAL 32 HG13 VAL 32 59.042 -4.203 9.022 252 HG21 VAL 32 HG21 VAL 32 63.180 -3.461 8.786 253 HG22 VAL 32 HG22 VAL 32 62.311 -3.879 10.262 254 HG23 VAL 32 HG23 VAL 32 62.321 -2.213 9.687 255 H GLY 33 HN GLY 33 63.207 -6.262 8.031 256 HA2 GLY 33 HA2 GLY 33 63.692 -7.475 10.170 257 HA3 GLY 33 HA1 GLY 33 62.012 -8.000 10.130 258 H GLU 34 HN GLU 34 62.163 -8.248 7.133 259 HA GLU 34 HA GLU 34 63.236 -10.973 7.088 260 HB2 GLU 34 HB2 GLU 34 61.618 -9.363 5.099 261 HB3 GLU 34 HB1 GLU 34 62.155 -11.021 4.825 262 HG2 GLU 34 HG2 GLU 34 60.924 -11.797 6.770 263 HG3 GLU 34 HG1 GLU 34 60.483 -10.145 7.196 264 H ALA 35 HN ALA 35 64.065 -7.784 6.075 265 HA ALA 35 HA ALA 35 66.146 -8.767 4.217 266 HB1 ALA 35 HB1 ALA 35 64.799 -7.001 3.275 267 HB2 ALA 35 HB2 ALA 35 66.377 -6.318 3.665 268 HB3 ALA 35 HB3 ALA 35 64.999 -6.008 4.718 269 H SER 36 HN SER 36 68.324 -8.367 4.592 270 HA SER 36 HA SER 36 69.013 -7.288 7.278 271 HB2 SER 36 HB2 SER 36 69.369 -9.688 7.214 272 HB3 SER 36 HB1 SER 36 70.303 -9.544 5.725 273 HG SER 36 HG SER 36 71.897 -8.513 6.826 274 H TRP 37 HN TRP 37 70.294 -5.601 7.296 275 HA TRP 37 HA TRP 37 72.174 -5.127 5.063 276 HB2 TRP 37 HB2 TRP 37 69.990 -3.334 6.079 277 HB3 TRP 37 HB1 TRP 37 71.507 -2.569 5.615 278 HD1 TRP 37 HD1 TRP 37 68.334 -3.763 4.186 279 HE1 TRP 37 HE1 TRP 37 68.474 -3.871 1.612 280 HE3 TRP 37 HE3 TRP 37 73.374 -3.281 3.565 281 HZ2 TRP 37 HZ2 TRP 37 70.475 -3.767 -0.444 282 HZ3 TRP 37 HZ3 TRP 37 74.371 -3.289 1.300 283 HH2 TRP 37 HH2 TRP 37 72.932 -3.530 -0.704 284 H TYR 38 HN TYR 38 74.144 -5.151 5.926 285 HA TYR 38 HA TYR 38 74.873 -3.367 8.005 286 HB2 TYR 38 HB2 TYR 38 75.506 -4.860 9.769 287 HB3 TYR 38 HB1 TYR 38 73.787 -5.077 9.423 288 HD1 TYR 38 HD2 TYR 38 73.189 -7.010 7.713 289 HD2 TYR 38 HD1 TYR 38 76.910 -6.711 9.842 290 HE1 TYR 38 HE2 TYR 38 73.591 -9.434 7.367 291 HE2 TYR 38 HE1 TYR 38 77.304 -9.122 9.501 292 HH TYR 38 HH TYR 38 76.547 -10.887 7.781 293 H ILE 39 HN ILE 39 77.107 -3.633 8.738 294 HA ILE 39 HA ILE 39 78.810 -4.942 6.698 295 HB ILE 39 HB ILE 39 80.483 -3.107 7.328 296 HG12 ILE 39 HG12 ILE 39 78.808 -2.455 9.336 297 HG13 ILE 39 HG11 ILE 39 79.855 -1.263 8.589 298 HG21 ILE 39 HG21 ILE 39 77.953 -2.624 5.765 299 HG22 ILE 39 HG22 ILE 39 79.585 -2.940 5.173 300 HG23 ILE 39 HG23 ILE 39 79.195 -1.375 5.878 301 HD11 ILE 39 HD11 ILE 39 77.438 -0.564 8.896 302 HD12 ILE 39 HD12 ILE 39 77.016 -1.763 7.673 303 HD13 ILE 39 HD13 ILE 39 78.061 -0.405 7.253 304 H ASN 40 HN ASN 40 80.245 -6.528 7.640 305 HA ASN 40 HA ASN 40 80.036 -6.987 10.418 306 HB2 ASN 40 HB2 ASN 40 80.587 -8.715 8.683 307 HB3 ASN 40 HB1 ASN 40 82.175 -7.967 8.515 308 HD21 ASN 40 HD21 ASN 40 83.633 -9.298 9.602 309 HD22 ASN 40 HD22 ASN 40 83.387 -9.935 11.157 310 H GLY 41 HN GLY 41 81.191 -6.232 12.052 311 HA2 GLY 41 HA2 GLY 41 83.284 -5.499 13.023 312 HA3 GLY 41 HA1 GLY 41 83.656 -4.685 11.506 313 H ALA 42 HN ALA 42 80.437 -4.162 11.875 314 HA ALA 42 HA ALA 42 80.689 -1.938 13.779 315 HB1 ALA 42 HB1 ALA 42 79.468 -1.229 11.145 316 HB2 ALA 42 HB2 ALA 42 81.223 -1.341 11.220 317 HB3 ALA 42 HB3 ALA 42 80.366 -0.222 12.278 318 H ALA 43 HN ALA 43 78.687 -4.119 11.868 319 HA ALA 43 HA ALA 43 76.423 -4.620 11.994 320 HB1 ALA 43 HB1 ALA 43 77.199 -4.032 14.853 321 HB2 ALA 43 HB2 ALA 43 76.918 -5.597 14.092 322 HB3 ALA 43 HB3 ALA 43 75.559 -4.523 14.428 323 H VAL 44 HN VAL 44 75.682 -2.888 10.723 324 HA VAL 44 HA VAL 44 75.389 -0.264 11.599 325 HB VAL 44 HB VAL 44 75.228 -1.283 9.201 326 HG11 VAL 44 HG11 VAL 44 73.133 -2.608 9.849 327 HG12 VAL 44 HG12 VAL 44 73.053 -1.686 8.348 328 HG13 VAL 44 HG13 VAL 44 72.276 -1.067 9.801 329 HG21 VAL 44 HG21 VAL 44 75.137 1.144 9.779 330 HG22 VAL 44 HG22 VAL 44 73.396 0.997 10.008 331 HG23 VAL 44 HG23 VAL 44 74.101 0.736 8.413 332 H GLN 45 HN GLN 45 74.201 0.607 13.060 333 HA GLN 45 HA GLN 45 71.600 -0.598 13.798 334 HB2 GLN 45 HB2 GLN 45 73.628 0.993 15.370 335 HB3 GLN 45 HB1 GLN 45 71.964 0.822 15.921 336 HG2 GLN 45 HG2 GLN 45 72.231 -1.670 15.773 337 HG3 GLN 45 HG1 GLN 45 73.934 -1.420 15.391 338 HE21 GLN 45 HE21 GLN 45 71.570 -0.273 17.879 339 HE22 GLN 45 HE22 GLN 45 72.658 -0.417 19.177 340 HA PRO 46 HA PRO 46 69.643 3.003 12.145 341 HB2 PRO 46 HB2 PRO 46 67.829 3.502 14.346 342 HB3 PRO 46 HB1 PRO 46 67.477 2.733 12.794 343 HG2 PRO 46 HG2 PRO 46 67.737 1.499 15.381 344 HG3 PRO 46 HG1 PRO 46 67.297 0.748 13.843 345 HD2 PRO 46 HD2 PRO 46 69.762 0.438 15.270 346 HD3 PRO 46 HD1 PRO 46 69.353 -0.207 13.667 347 H ASP 47 HN ASP 47 71.040 3.062 15.319 348 HA ASP 47 HA ASP 47 70.917 5.971 15.545 349 HB2 ASP 47 HB2 ASP 47 70.613 4.528 17.535 350 HB3 ASP 47 HB1 ASP 47 72.269 3.954 17.345 351 H ASP 48 HN ASP 48 72.815 4.022 13.706 352 HA ASP 48 HA ASP 48 75.443 4.783 14.357 353 HB2 ASP 48 HB2 ASP 48 74.117 3.842 11.828 354 HB3 ASP 48 HB1 ASP 48 75.777 4.429 11.760 355 H SER 49 HN SER 49 76.671 6.511 13.906 356 HA SER 49 HA SER 49 75.302 8.947 13.057 357 HB2 SER 49 HB2 SER 49 77.127 10.105 14.004 358 HB3 SER 49 HB1 SER 49 76.871 8.732 15.076 359 HG SER 49 HG SER 49 78.748 8.898 12.946 360 H ASP 50 HN ASP 50 77.862 6.778 11.939 361 HA ASP 50 HA ASP 50 78.521 8.534 9.701 362 HB2 ASP 50 HB2 ASP 50 80.219 6.773 9.228 363 HB3 ASP 50 HB1 ASP 50 80.357 7.464 10.846 364 H TRP 51 HN TRP 51 76.768 5.561 10.359 365 HA TRP 51 HA TRP 51 76.280 5.204 7.448 366 HB2 TRP 51 HB2 TRP 51 76.087 3.260 9.752 367 HB3 TRP 51 HB1 TRP 51 75.462 2.922 8.135 368 HD1 TRP 51 HD1 TRP 51 78.632 2.980 10.144 369 HE1 TRP 51 HE1 TRP 51 80.601 2.266 8.654 370 HE3 TRP 51 HE3 TRP 51 76.336 3.025 5.607 371 HZ2 TRP 51 HZ2 TRP 51 81.136 1.772 5.881 372 HZ3 TRP 51 HZ3 TRP 51 77.586 2.430 3.551 373 HH2 TRP 51 HH2 TRP 51 79.982 1.799 3.683 374 H THR 52 HN THR 52 74.293 5.223 6.659 375 HA THR 52 HA THR 52 71.984 5.444 8.502 376 HB THR 52 HB THR 52 72.430 7.030 5.954 377 HG1 THR 52 HG1 THR 52 72.085 7.925 8.612 378 HG21 THR 52 HG21 THR 52 70.089 6.916 7.873 379 HG22 THR 52 HG22 THR 52 70.092 6.373 6.197 380 HG23 THR 52 HG23 THR 52 70.260 8.085 6.565 381 H VAL 53 HN VAL 53 70.419 3.976 8.016 382 HA VAL 53 HA VAL 53 70.525 2.657 5.361 383 HB VAL 53 HB VAL 53 71.413 1.033 6.875 384 HG11 VAL 53 HG11 VAL 53 70.819 2.140 8.978 385 HG12 VAL 53 HG12 VAL 53 70.270 0.465 9.006 386 HG13 VAL 53 HG13 VAL 53 69.117 1.766 8.716 387 HG21 VAL 53 HG21 VAL 53 69.499 0.305 5.368 388 HG22 VAL 53 HG22 VAL 53 68.452 0.414 6.783 389 HG23 VAL 53 HG23 VAL 53 69.796 -0.726 6.768 390 H THR 54 HN THR 54 68.666 2.544 4.319 391 HA THR 54 HA THR 54 66.135 2.910 5.762 392 HB THR 54 HB THR 54 65.440 4.743 4.414 393 HG1 THR 54 HG1 THR 54 66.951 3.789 2.633 394 HG21 THR 54 HG21 THR 54 66.989 5.222 6.339 395 HG22 THR 54 HG22 THR 54 66.978 6.466 5.088 396 HG23 THR 54 HG23 THR 54 68.304 5.309 5.169 397 H ALA 55 HN ALA 55 64.290 2.291 4.531 398 HA ALA 55 HA ALA 55 64.799 0.860 2.004 399 HB1 ALA 55 HB1 ALA 55 63.448 -1.062 2.868 400 HB2 ALA 55 HB2 ALA 55 63.514 -0.332 4.472 401 HB3 ALA 55 HB3 ALA 55 64.997 -0.866 3.686 402 H ASP 56 HN ASP 56 63.551 2.020 0.703 403 HA ASP 56 HA ASP 56 60.729 2.536 1.481 404 HB2 ASP 56 HB2 ASP 56 62.613 4.135 -0.265 405 HB3 ASP 56 HB1 ASP 56 60.875 4.416 -0.197 406 H GLY 57 HN GLY 57 59.437 1.129 0.429 407 HA2 GLY 57 HA2 GLY 57 58.484 -0.077 -1.292 408 HA3 GLY 57 HA1 GLY 57 59.319 1.014 -2.393 409 H SER 58 HN SER 58 60.268 -0.272 -3.865 410 HA SER 58 HA SER 58 61.670 -2.725 -3.012 411 HB2 SER 58 HB2 SER 58 61.737 -3.255 -5.401 412 HB3 SER 58 HB1 SER 58 60.088 -2.885 -4.902 413 HG SER 58 HG SER 58 61.809 -1.515 -6.578 414 H HIS 59 HN HIS 59 62.827 -0.226 -2.306 415 HA HIS 59 HA HIS 59 65.366 -0.420 -3.803 416 HB2 HIS 59 HB2 HIS 59 64.340 2.294 -2.998 417 HB3 HIS 59 HB1 HIS 59 65.513 1.865 -4.244 418 HD1 HIS 59 HD1 HIS 59 62.170 2.999 -3.955 419 HD2 HIS 59 HD2 HIS 59 64.021 0.145 -6.362 420 HE1 HIS 59 HE1 HIS 59 60.619 2.607 -5.922 421 H HIS 60 HN HIS 60 67.157 -0.273 -2.517 422 HA HIS 60 HA HIS 60 66.741 0.476 0.339 423 HB2 HIS 60 HB2 HIS 60 68.469 -1.725 -0.828 424 HB3 HIS 60 HB1 HIS 60 68.588 -1.158 0.838 425 HD1 HIS 60 HD1 HIS 60 66.136 -2.834 -1.524 426 HD2 HIS 60 HD2 HIS 60 66.608 -2.132 2.556 427 HE1 HIS 60 HE1 HIS 60 64.337 -4.179 -0.348 428 H ALA 61 HN ALA 61 68.146 2.027 1.119 429 HA ALA 61 HA ALA 61 70.525 2.661 -0.541 430 HB1 ALA 61 HB1 ALA 61 68.793 4.260 -1.128 431 HB2 ALA 61 HB2 ALA 61 70.040 5.069 -0.175 432 HB3 ALA 61 HB3 ALA 61 68.509 4.622 0.574 433 H LEU 62 HN LEU 62 72.317 2.865 0.543 434 HA LEU 62 HA LEU 62 72.289 3.377 3.449 435 HB2 LEU 62 HB2 LEU 62 74.130 1.554 1.885 436 HB3 LEU 62 HB1 LEU 62 74.387 2.025 3.563 437 HG LEU 62 HG LEU 62 71.894 1.131 3.869 438 HD11 LEU 62 HD11 LEU 62 71.516 -0.859 2.408 439 HD12 LEU 62 HD12 LEU 62 72.888 -0.362 1.420 440 HD13 LEU 62 HD13 LEU 62 71.454 0.658 1.518 441 HD21 LEU 62 HD21 LEU 62 73.837 0.187 5.016 442 HD22 LEU 62 HD22 LEU 62 74.321 -0.664 3.549 443 HD23 LEU 62 HD23 LEU 62 72.837 -1.119 4.382 444 H LEU 63 HN LEU 63 74.064 4.674 4.248 445 HA LEU 63 HA LEU 63 75.639 6.056 2.139 446 HB2 LEU 63 HB2 LEU 63 74.324 7.400 4.503 447 HB3 LEU 63 HB1 LEU 63 75.380 8.171 3.317 448 HG LEU 63 HG LEU 63 73.587 7.132 1.600 449 HD11 LEU 63 HD11 LEU 63 71.733 7.815 3.871 450 HD12 LEU 63 HD12 LEU 63 72.391 6.182 3.777 451 HD13 LEU 63 HD13 LEU 63 71.436 6.825 2.442 452 HD21 LEU 63 HD21 LEU 63 74.184 9.510 1.835 453 HD22 LEU 63 HD22 LEU 63 73.154 9.636 3.264 454 HD23 LEU 63 HD23 LEU 63 72.433 9.326 1.681 455 H LEU 64 HN LEU 64 77.330 7.313 2.910 456 HA LEU 64 HA LEU 64 78.484 6.699 5.515 457 HB2 LEU 64 HB2 LEU 64 79.464 5.029 3.860 458 HB3 LEU 64 HB1 LEU 64 80.111 6.410 2.976 459 HG LEU 64 HG LEU 64 81.295 7.144 5.038 460 HD11 LEU 64 HD11 LEU 64 79.857 4.777 6.155 461 HD12 LEU 64 HD12 LEU 64 80.302 6.294 6.931 462 HD13 LEU 64 HD13 LEU 64 81.510 5.032 6.711 463 HD21 LEU 64 HD21 LEU 64 82.915 5.131 5.040 464 HD22 LEU 64 HD22 LEU 64 82.626 5.937 3.498 465 HD23 LEU 64 HD23 LEU 64 81.818 4.409 3.862 466 H ARG 65 HN ARG 65 78.574 8.777 6.228 467 HA ARG 65 HA ARG 65 78.769 10.972 4.447 468 HB2 ARG 65 HB2 ARG 65 79.243 10.725 7.431 469 HB3 ARG 65 HB1 ARG 65 79.321 12.262 6.568 470 HG2 ARG 65 HG2 ARG 65 77.012 11.974 5.794 471 HG3 ARG 65 HG1 ARG 65 76.923 10.408 6.599 472 HD2 ARG 65 HD2 ARG 65 77.314 11.504 8.774 473 HD3 ARG 65 HD1 ARG 65 77.397 13.070 7.970 474 HE ARG 65 HE ARG 65 74.991 11.503 8.491 475 HH11 ARG 65 HH21 ARG 65 74.680 12.316 5.674 476 HH12 ARG 65 HH22 ARG 65 73.991 13.899 5.785 477 HH21 ARG 65 HH11 ARG 65 74.873 14.333 9.115 478 HH22 ARG 65 HH12 ARG 65 74.100 15.045 7.737 479 H SER 66 HN SER 66 81.064 11.685 6.711 480 HA SER 66 HA SER 66 83.219 11.435 4.782 481 HB2 SER 66 HB2 SER 66 83.261 12.456 7.633 482 HB3 SER 66 HB1 SER 66 84.555 12.628 6.451 483 HG SER 66 HG SER 66 82.137 13.447 5.500 484 H ALA 67 HN ALA 67 84.112 9.481 4.535 485 HA ALA 67 HA ALA 67 84.055 7.411 6.460 486 HB1 ALA 67 HB1 ALA 67 86.166 7.389 4.343 487 HB2 ALA 67 HB2 ALA 67 84.493 7.500 3.805 488 HB3 ALA 67 HB3 ALA 67 85.007 6.135 4.791 489 H GLN 68 HN GLN 68 85.448 6.825 8.056 490 HA GLN 68 HA GLN 68 88.066 8.180 8.251 491 HB2 GLN 68 HB2 GLN 68 87.577 8.253 10.799 492 HB3 GLN 68 HB1 GLN 68 86.829 9.472 9.768 493 HG2 GLN 68 HG2 GLN 68 84.751 8.215 9.704 494 HG3 GLN 68 HG1 GLN 68 85.489 6.885 10.596 495 HE21 GLN 68 HE21 GLN 68 86.948 9.328 12.094 496 HE22 GLN 68 HE22 GLN 68 85.804 9.718 13.287 497 HA PRO 69 HA PRO 69 89.736 4.146 8.970 498 HB2 PRO 69 HB2 PRO 69 91.335 4.851 11.282 499 HB3 PRO 69 HB1 PRO 69 91.871 4.627 9.612 500 HG2 PRO 69 HG2 PRO 69 91.386 7.105 11.080 501 HG3 PRO 69 HG1 PRO 69 92.256 6.855 9.558 502 HD2 PRO 69 HD2 PRO 69 89.778 8.095 9.772 503 HD3 PRO 69 HD1 PRO 69 90.400 7.350 8.281 504 H HIS 70 HN HIS 70 87.760 3.192 9.651 505 HA HIS 70 HA HIS 70 87.708 1.888 12.074 506 HB2 HIS 70 HB2 HIS 70 86.614 4.647 12.258 507 HB3 HIS 70 HB1 HIS 70 85.590 3.399 12.961 508 HD1 HIS 70 HD1 HIS 70 87.649 1.528 14.199 509 HD2 HIS 70 HD2 HIS 70 87.931 5.679 14.463 510 HE1 HIS 70 HE1 HIS 70 89.091 2.021 16.223 511 H HIS 71 HN HIS 71 85.893 3.360 9.474 512 HA HIS 71 HA HIS 71 83.594 1.617 9.788 513 HB2 HIS 71 HB2 HIS 71 82.798 2.695 7.724 514 HB3 HIS 71 HB1 HIS 71 83.315 3.891 8.916 515 HD1 HIS 71 HD1 HIS 71 85.569 5.103 8.499 516 HD2 HIS 71 HD2 HIS 71 84.440 2.552 5.408 517 HE1 HIS 71 HE1 HIS 71 87.128 5.592 6.569 518 H ALA 72 HN ALA 72 86.663 1.328 8.241 519 HA ALA 72 HA ALA 72 86.012 -0.166 5.966 520 HB1 ALA 72 HB1 ALA 72 88.415 -0.566 7.759 521 HB2 ALA 72 HB2 ALA 72 88.295 0.660 6.496 522 HB3 ALA 72 HB3 ALA 72 88.270 -1.052 6.071 523 H GLY 73 HN GLY 73 85.787 -2.376 5.577 524 HA2 GLY 73 HA2 GLY 73 86.097 -4.479 7.339 525 HA3 GLY 73 HA1 GLY 73 84.486 -3.846 7.664 526 H GLU 74 HN GLU 74 83.200 -5.385 6.855 527 HA GLU 74 HA GLU 74 83.432 -6.011 3.961 528 HB2 GLU 74 HB2 GLU 74 82.628 -7.875 6.218 529 HB3 GLU 74 HB1 GLU 74 82.512 -8.258 4.504 530 HG2 GLU 74 HG2 GLU 74 84.589 -9.194 5.018 531 HG3 GLU 74 HG1 GLU 74 85.071 -7.595 4.464 532 H VAL 75 HN VAL 75 81.464 -6.170 2.837 533 HA VAL 75 HA VAL 75 79.124 -5.030 4.276 534 HB VAL 75 HB VAL 75 79.413 -5.091 1.278 535 HG11 VAL 75 HG11 VAL 75 77.277 -4.377 2.352 536 HG12 VAL 75 HG12 VAL 75 78.034 -3.089 1.412 537 HG13 VAL 75 HG13 VAL 75 78.156 -3.085 3.173 538 HG21 VAL 75 HG21 VAL 75 81.496 -4.121 1.854 539 HG22 VAL 75 HG22 VAL 75 80.810 -3.247 3.223 540 HG23 VAL 75 HG23 VAL 75 80.434 -2.742 1.577 541 H THR 76 HN THR 76 77.713 -6.613 4.854 542 HA THR 76 HA THR 76 77.158 -8.751 2.851 543 HB THR 76 HB THR 76 77.156 -8.980 5.870 544 HG1 THR 76 HG1 THR 76 79.006 -9.406 3.893 545 HG21 THR 76 HG21 THR 76 75.431 -10.393 4.903 546 HG22 THR 76 HG22 THR 76 76.799 -11.408 5.360 547 HG23 THR 76 HG23 THR 76 76.550 -10.975 3.668 548 H PHE 77 HN PHE 77 75.199 -8.736 2.108 549 HA PHE 77 HA PHE 77 72.913 -8.083 3.810 550 HB2 PHE 77 HB2 PHE 77 72.694 -5.996 2.935 551 HB3 PHE 77 HB1 PHE 77 73.997 -6.284 1.795 552 HD1 PHE 77 HD2 PHE 77 73.539 -7.080 -0.476 553 HD2 PHE 77 HD1 PHE 77 70.360 -6.379 2.327 554 HE1 PHE 77 HE2 PHE 77 71.881 -7.166 -2.326 555 HE2 PHE 77 HE1 PHE 77 68.710 -6.470 0.479 556 HZ PHE 77 HZ PHE 77 69.473 -6.865 -1.847 557 H ALA 78 HN ALA 78 71.030 -9.100 3.155 558 HA ALA 78 HA ALA 78 70.966 -10.592 0.659 559 HB1 ALA 78 HB1 ALA 78 70.485 -12.746 1.948 560 HB2 ALA 78 HB2 ALA 78 71.178 -11.938 3.354 561 HB3 ALA 78 HB3 ALA 78 72.165 -12.213 1.920 562 H CYS 79 HN CYS 79 68.872 -11.378 0.149 563 HA CYS 79 HA CYS 79 66.697 -10.957 2.025 564 HB2 CYS 79 HB2 CYS 79 67.308 -8.707 0.886 565 HB3 CYS 79 HB1 CYS 79 66.539 -9.403 -0.542 566 HG CYS 79 HG CYS 79 64.392 -9.811 1.093 567 H ARG 80 HN ARG 80 64.922 -10.597 -0.456 568 HA ARG 80 HA ARG 80 64.107 -13.245 -0.754 569 HB2 ARG 80 HB2 ARG 80 63.817 -11.026 -2.799 570 HB3 ARG 80 HB1 ARG 80 62.846 -12.493 -2.715 571 HG2 ARG 80 HG2 ARG 80 62.995 -10.515 -0.431 572 HG3 ARG 80 HG1 ARG 80 61.794 -10.390 -1.713 573 HD2 ARG 80 HD2 ARG 80 62.148 -12.688 0.233 574 HD3 ARG 80 HD1 ARG 80 60.793 -11.576 0.132 575 HE ARG 80 HE ARG 80 61.140 -12.942 -2.346 576 HH11 ARG 80 HH11 ARG 80 60.513 -13.785 0.917 577 HH12 ARG 80 HH12 ARG 80 59.169 -14.817 0.556 578 HH21 ARG 80 HH21 ARG 80 59.175 -14.088 -2.833 579 HH22 ARG 80 HH22 ARG 80 58.413 -14.990 -1.564 580 H ASP 81 HN ASP 81 65.896 -14.568 -1.075 581 HA ASP 81 HA ASP 81 67.591 -15.617 -2.227 582 HB2 ASP 81 HB2 ASP 81 65.510 -16.351 -3.394 583 HB3 ASP 81 HB1 ASP 81 65.770 -15.065 -4.573 584 H ALA 82 HN ALA 82 67.523 -12.526 -2.215 585 HA ALA 82 HA ALA 82 69.293 -12.048 -4.542 586 HB1 ALA 82 HB1 ALA 82 67.623 -10.247 -2.794 587 HB2 ALA 82 HB2 ALA 82 67.647 -10.372 -4.554 588 HB3 ALA 82 HB3 ALA 82 68.983 -9.592 -3.708 589 H VAL 83 HN VAL 83 70.839 -13.437 -3.216 590 HA VAL 83 HA VAL 83 71.993 -12.220 -0.863 591 HB VAL 83 HB VAL 83 71.902 -14.714 -1.278 592 HG11 VAL 83 HG11 VAL 83 72.663 -14.464 -3.707 593 HG12 VAL 83 HG12 VAL 83 73.480 -15.722 -2.777 594 HG13 VAL 83 HG13 VAL 83 74.283 -14.182 -3.073 595 HG21 VAL 83 HG21 VAL 83 74.173 -15.084 -0.346 596 HG22 VAL 83 HG22 VAL 83 73.368 -13.717 0.425 597 HG23 VAL 83 HG23 VAL 83 74.610 -13.436 -0.793 598 H ALA 84 HN ALA 84 73.773 -10.972 -0.720 599 HA ALA 84 HA ALA 84 75.665 -10.763 -2.897 600 HB1 ALA 84 HB1 ALA 84 73.708 -8.570 -2.271 601 HB2 ALA 84 HB2 ALA 84 74.128 -9.246 -3.840 602 HB3 ALA 84 HB3 ALA 84 75.276 -8.214 -2.990 603 H SER 85 HN SER 85 77.630 -10.287 -2.102 604 HA SER 85 HA SER 85 77.863 -8.796 0.430 605 HB2 SER 85 HB2 SER 85 79.142 -11.487 -0.106 606 HB3 SER 85 HB1 SER 85 79.480 -10.457 1.282 607 HG SER 85 HG SER 85 77.911 -11.834 1.947 608 H ALA 86 HN ALA 86 79.218 -7.157 0.059 609 HA ALA 86 HA ALA 86 81.251 -7.410 -2.055 610 HB1 ALA 86 HB1 ALA 86 81.060 -5.124 -2.376 611 HB2 ALA 86 HB2 ALA 86 80.538 -4.820 -0.720 612 HB3 ALA 86 HB3 ALA 86 79.421 -5.537 -1.878 613 H ARG 87 HN ARG 87 82.767 -5.231 -1.233 614 HA ARG 87 HA ARG 87 83.944 -5.907 1.360 615 HB2 ARG 87 HB2 ARG 87 85.499 -6.010 -1.237 616 HB3 ARG 87 HB1 ARG 87 86.215 -6.051 0.373 617 HG2 ARG 87 HG2 ARG 87 84.919 -8.106 0.878 618 HG3 ARG 87 HG1 ARG 87 84.269 -8.074 -0.763 619 HD2 ARG 87 HD2 ARG 87 87.222 -8.181 -0.118 620 HD3 ARG 87 HD1 ARG 87 86.244 -9.594 -0.505 621 HE ARG 87 HE ARG 87 87.169 -7.566 -2.362 622 HH11 ARG 87 HH11 ARG 87 84.264 -7.727 -2.928 623 HH12 ARG 87 HH12 ARG 87 84.149 -9.054 -4.036 624 HH21 ARG 87 HH21 ARG 87 87.290 -10.306 -3.275 625 HH22 ARG 87 HH22 ARG 87 85.863 -10.511 -4.236 626 H LEU 88 HN LEU 88 84.236 -4.033 2.360 627 HA LEU 88 HA LEU 88 84.679 -1.585 0.750 628 HB2 LEU 88 HB2 LEU 88 82.610 -1.702 2.169 629 HB3 LEU 88 HB1 LEU 88 83.649 -1.833 3.584 630 HG LEU 88 HG LEU 88 84.720 0.346 2.915 631 HD11 LEU 88 HD11 LEU 88 82.597 0.163 0.780 632 HD12 LEU 88 HD12 LEU 88 84.282 0.654 0.623 633 HD13 LEU 88 HD13 LEU 88 83.118 1.738 1.372 634 HD21 LEU 88 HD21 LEU 88 82.678 1.705 3.586 635 HD22 LEU 88 HD22 LEU 88 83.063 0.356 4.654 636 HD23 LEU 88 HD23 LEU 88 81.751 0.208 3.485 637 H THR 89 HN THR 89 86.574 -0.523 0.978 638 HA THR 89 HA THR 89 88.225 -1.048 3.373 639 HB THR 89 HB THR 89 89.090 -2.526 1.680 640 HG1 THR 89 HG1 THR 89 90.935 -1.875 2.397 641 HG21 THR 89 HG21 THR 89 88.072 -1.352 -0.255 642 HG22 THR 89 HG22 THR 89 89.779 -1.712 -0.520 643 HG23 THR 89 HG23 THR 89 89.279 -0.075 -0.090 644 H VAL 90 HN VAL 90 89.542 0.621 4.033 645 HA VAL 90 HA VAL 90 89.014 3.221 2.700 646 HB VAL 90 HB VAL 90 88.121 2.858 5.041 647 HG11 VAL 90 HG11 VAL 90 90.983 3.182 5.942 648 HG12 VAL 90 HG12 VAL 90 90.294 1.579 5.690 649 HG13 VAL 90 HG13 VAL 90 89.580 2.668 6.879 650 HG21 VAL 90 HG21 VAL 90 88.261 5.121 4.472 651 HG22 VAL 90 HG22 VAL 90 90.010 5.070 4.249 652 HG23 VAL 90 HG23 VAL 90 89.325 5.068 5.876 653 H LEU 91 HN LEU 91 90.663 4.210 1.804 654 HA LEU 91 HA LEU 91 93.406 3.289 2.330 655 HB2 LEU 91 HB2 LEU 91 92.081 4.886 0.144 656 HB3 LEU 91 HB1 LEU 91 93.828 4.916 0.329 657 HG LEU 91 HG LEU 91 92.902 3.189 -1.308 658 HD11 LEU 91 HD11 LEU 91 94.414 1.810 0.909 659 HD12 LEU 91 HD12 LEU 91 95.176 3.090 -0.034 660 HD13 LEU 91 HD13 LEU 91 94.590 1.638 -0.834 661 HD21 LEU 91 HD21 LEU 91 90.987 2.580 0.270 662 HD22 LEU 91 HD22 LEU 91 92.171 1.662 1.198 663 HD23 LEU 91 HD23 LEU 91 91.834 1.227 -0.476 664 H GLY 92 HN GLY 92 94.812 4.469 3.486 665 HA2 GLY 92 HA2 GLY 92 93.975 7.162 4.399 666 HA3 GLY 92 HA1 GLY 92 95.087 6.094 5.246 667 H LEU 93 HN LEU 93 97.230 5.947 4.587 668 HA LEU 93 HA LEU 93 98.149 8.085 2.785 669 HB2 LEU 93 HB2 LEU 93 99.234 6.842 5.289 670 HB3 LEU 93 HB1 LEU 93 100.406 7.350 4.082 671 HG LEU 93 HG LEU 93 99.347 9.621 4.071 672 HD11 LEU 93 HD11 LEU 93 97.723 8.361 6.294 673 HD12 LEU 93 HD12 LEU 93 97.124 9.141 4.831 674 HD13 LEU 93 HD13 LEU 93 97.882 10.105 6.095 675 HD21 LEU 93 HD21 LEU 93 100.266 10.294 6.264 676 HD22 LEU 93 HD22 LEU 93 101.328 9.137 5.463 677 HD23 LEU 93 HD23 LEU 93 100.277 8.607 6.775 678 HA PRO 94 HA PRO 94 99.651 4.865 0.189 679 HB2 PRO 94 HB2 PRO 94 102.237 6.010 -0.455 680 HB3 PRO 94 HB1 PRO 94 100.737 6.109 -1.383 681 HG2 PRO 94 HG2 PRO 94 101.941 8.252 -0.138 682 HG3 PRO 94 HG1 PRO 94 100.220 8.169 -0.555 683 HD2 PRO 94 HD2 PRO 94 101.546 7.662 2.092 684 HD3 PRO 94 HD1 PRO 94 100.027 8.511 1.738 685 H ASP 95 HN ASP 95 100.042 4.053 2.781 686 HA ASP 95 HA ASP 95 102.797 3.141 3.124 687 HB2 ASP 95 HB2 ASP 95 101.504 3.900 5.079 688 HB3 ASP 95 HB1 ASP 95 100.325 2.621 4.792 689 H GLY 96 HN GLY 96 103.106 1.699 1.421 690 HA2 GLY 96 HA2 GLY 96 101.326 -0.636 1.200 691 HA3 GLY 96 HA1 GLY 96 102.593 -0.177 0.066 692 H LEU 97 HN LEU 97 104.237 0.291 2.710 693 HA LEU 97 HA LEU 97 105.752 -2.079 2.557 694 HB2 LEU 97 HB2 LEU 97 105.594 0.181 4.539 695 HB3 LEU 97 HB1 LEU 97 106.609 -1.213 4.881 696 HG LEU 97 HG LEU 97 107.742 0.776 3.737 697 HD11 LEU 97 HD11 LEU 97 109.229 -0.595 2.537 698 HD12 LEU 97 HD12 LEU 97 107.965 -1.724 2.059 699 HD13 LEU 97 HD13 LEU 97 108.536 -1.692 3.729 700 HD21 LEU 97 HD21 LEU 97 106.381 -0.283 1.251 701 HD22 LEU 97 HD22 LEU 97 107.389 1.150 1.408 702 HD23 LEU 97 HD23 LEU 97 105.785 1.118 2.139 703 H GLU 98 HN GLU 98 103.208 -1.067 4.820 704 HA GLU 98 HA GLU 98 103.243 -3.776 6.030 705 HB2 GLU 98 HB2 GLU 98 102.197 -1.124 7.034 706 HB3 GLU 98 HB1 GLU 98 101.911 -2.663 7.848 707 HG2 GLU 98 HG2 GLU 98 104.288 -3.019 8.141 708 HG3 GLU 98 HG1 GLU 98 104.667 -1.602 7.166 709 H HIS 99 HN HIS 99 101.642 -5.141 5.565 710 HA HIS 99 HA HIS 99 99.119 -4.080 4.405 711 HB2 HIS 99 HB2 HIS 99 100.447 -6.780 4.056 712 HB3 HIS 99 HB1 HIS 99 98.860 -6.350 3.417 713 HD1 HIS 99 HD1 HIS 99 98.843 -4.241 1.719 714 HD2 HIS 99 HD2 HIS 99 102.570 -5.961 2.452 715 HE1 HIS 99 HE1 HIS 99 100.394 -3.392 -0.094 716 H HIS 100 HN HIS 100 97.237 -4.509 5.405 717 HA HIS 100 HA HIS 100 97.237 -5.516 8.065 718 HB2 HIS 100 HB2 HIS 100 94.873 -5.114 8.035 719 HB3 HIS 100 HB1 HIS 100 95.629 -3.816 7.114 720 HD1 HIS 100 HD1 HIS 100 95.722 -4.312 4.401 721 HD2 HIS 100 HD2 HIS 100 92.905 -6.440 6.616 722 HE1 HIS 100 HE1 HIS 100 94.051 -5.233 2.738 723 H HIS 101 HN HIS 101 96.152 -6.861 4.961 724 HA HIS 101 HA HIS 101 95.722 -9.492 6.262 725 HB2 HIS 101 HB2 HIS 101 93.776 -8.644 5.055 726 HB3 HIS 101 HB1 HIS 101 94.746 -8.425 3.598 727 HD1 HIS 101 HD1 HIS 101 94.438 -11.362 6.022 728 HD2 HIS 101 HD2 HIS 101 94.132 -10.548 1.946 729 HE1 HIS 101 HE1 HIS 101 94.025 -13.582 4.878 730 H HIS 102 HN HIS 102 97.346 -10.888 6.071 731 HA HIS 102 HA HIS 102 99.204 -10.660 3.779 732 HB2 HIS 102 HB2 HIS 102 100.783 -11.895 5.137 733 HB3 HIS 102 HB1 HIS 102 100.156 -10.542 6.077 734 HD1 HIS 102 HD1 HIS 102 98.055 -11.218 7.718 735 HD2 HIS 102 HD2 HIS 102 100.493 -14.332 6.403 736 HE1 HIS 102 HE1 HIS 102 97.638 -13.169 9.283 737 H HIS 103 HN HIS 103 98.645 -11.915 2.130 738 HA HIS 103 HA HIS 103 96.960 -14.165 2.229 739 HB2 HIS 103 HB2 HIS 103 97.375 -12.888 0.169 740 HB3 HIS 103 HB1 HIS 103 99.050 -13.444 0.159 741 HD1 HIS 103 HD1 HIS 103 95.513 -14.779 -0.138 742 HD2 HIS 103 HD2 HIS 103 99.421 -16.013 -0.900 743 HE1 HIS 103 HE1 HIS 103 95.343 -16.975 -1.389 744 H HIS 104 HN HIS 104 100.499 -13.942 2.035 745 HA HIS 104 HA HIS 104 101.150 -16.615 1.824 746 HB2 HIS 104 HB2 HIS 104 102.566 -14.423 3.353 747 HB3 HIS 104 HB1 HIS 104 103.285 -15.983 2.948 748 HD1 HIS 104 HD1 HIS 104 103.086 -16.559 0.228 749 HD2 HIS 104 HD2 HIS 104 102.957 -12.548 1.356 750 HE1 HIS 104 HE1 HIS 104 103.612 -15.214 -1.850 Start of MODEL 7 1 H1 TRP 1 HT1 TRP 1 55.084 -13.943 -12.859 2 H2 TRP 1 HT2 TRP 1 55.838 -15.181 -13.744 3 H3 TRP 1 HT3 TRP 1 54.899 -14.014 -14.544 4 HA TRP 1 HA TRP 1 57.369 -13.711 -14.727 5 HB2 TRP 1 HB2 TRP 1 55.674 -11.531 -13.471 6 HB3 TRP 1 HB1 TRP 1 57.199 -11.258 -14.316 7 HD1 TRP 1 HD1 TRP 1 53.561 -11.580 -14.899 8 HE1 TRP 1 HE1 TRP 1 53.062 -11.722 -17.424 9 HE3 TRP 1 HE3 TRP 1 58.283 -12.332 -16.692 10 HZ2 TRP 1 HZ2 TRP 1 54.473 -12.110 -19.876 11 HZ3 TRP 1 HZ3 TRP 1 58.677 -12.585 -19.127 12 HH2 TRP 1 HH2 TRP 1 56.777 -12.473 -20.722 13 H ARG 2 HN ARG 2 59.292 -13.519 -13.627 14 HA ARG 2 HA ARG 2 59.143 -13.721 -10.682 15 HB2 ARG 2 HB2 ARG 2 61.367 -14.361 -12.635 16 HB3 ARG 2 HB1 ARG 2 61.524 -14.468 -10.878 17 HG2 ARG 2 HG2 ARG 2 59.663 -16.075 -10.798 18 HG3 ARG 2 HG1 ARG 2 59.479 -15.966 -12.545 19 HD2 ARG 2 HD2 ARG 2 61.791 -16.814 -12.824 20 HD3 ARG 2 HD1 ARG 2 61.934 -16.965 -11.072 21 HE ARG 2 HE ARG 2 59.649 -18.371 -12.115 22 HH11 ARG 2 HH11 ARG 2 62.174 -18.849 -10.117 23 HH12 ARG 2 HH12 ARG 2 62.645 -20.409 -10.699 24 HH21 ARG 2 HH21 ARG 2 60.615 -20.258 -13.509 25 HH22 ARG 2 HH22 ARG 2 61.768 -21.203 -12.629 26 H LEU 3 HN LEU 3 59.965 -12.236 -9.353 27 HA LEU 3 HA LEU 3 60.880 -9.700 -10.517 28 HB2 LEU 3 HB2 LEU 3 60.032 -10.492 -7.724 29 HB3 LEU 3 HB1 LEU 3 60.624 -8.891 -8.156 30 HG LEU 3 HG LEU 3 58.799 -8.691 -9.843 31 HD11 LEU 3 HD11 LEU 3 56.873 -10.472 -9.352 32 HD12 LEU 3 HD12 LEU 3 58.240 -11.482 -8.878 33 HD13 LEU 3 HD13 LEU 3 58.153 -10.825 -10.511 34 HD21 LEU 3 HD21 LEU 3 57.480 -9.438 -7.238 35 HD22 LEU 3 HD22 LEU 3 57.164 -8.059 -8.285 36 HD23 LEU 3 HD23 LEU 3 58.609 -8.089 -7.282 37 H GLU 4 HN GLU 4 62.948 -10.543 -11.142 38 HA GLU 4 HA GLU 4 64.805 -11.464 -9.129 39 HB2 GLU 4 HB2 GLU 4 65.119 -10.804 -12.057 40 HB3 GLU 4 HB1 GLU 4 66.428 -11.414 -11.036 41 HG2 GLU 4 HG2 GLU 4 65.129 -13.411 -10.503 42 HG3 GLU 4 HG1 GLU 4 63.767 -12.801 -11.444 43 H ILE 5 HN ILE 5 66.967 -10.448 -9.012 44 HA ILE 5 HA ILE 5 66.729 -7.691 -8.240 45 HB ILE 5 HB ILE 5 68.842 -8.010 -7.218 46 HG12 ILE 5 HG12 ILE 5 69.227 -10.310 -9.175 47 HG13 ILE 5 HG11 ILE 5 70.143 -8.802 -9.133 48 HG21 ILE 5 HG21 ILE 5 66.929 -9.502 -6.414 49 HG22 ILE 5 HG22 ILE 5 68.549 -10.035 -5.975 50 HG23 ILE 5 HG23 ILE 5 67.694 -10.812 -7.309 51 HD11 ILE 5 HD11 ILE 5 71.575 -10.280 -8.020 52 HD12 ILE 5 HD12 ILE 5 70.247 -11.116 -7.213 53 HD13 ILE 5 HD13 ILE 5 70.730 -9.501 -6.684 54 H LEU 6 HN LEU 6 67.038 -6.026 -9.588 55 HA LEU 6 HA LEU 6 67.968 -6.512 -12.263 56 HB2 LEU 6 HB2 LEU 6 67.272 -3.869 -11.035 57 HB3 LEU 6 HB1 LEU 6 67.152 -4.361 -12.722 58 HG LEU 6 HG LEU 6 65.493 -5.363 -10.400 59 HD11 LEU 6 HD11 LEU 6 64.400 -4.193 -12.944 60 HD12 LEU 6 HD12 LEU 6 65.050 -3.105 -11.718 61 HD13 LEU 6 HD13 LEU 6 63.717 -4.178 -11.320 62 HD21 LEU 6 HD21 LEU 6 64.305 -6.632 -12.345 63 HD22 LEU 6 HD22 LEU 6 65.807 -7.301 -11.705 64 HD23 LEU 6 HD23 LEU 6 65.822 -6.398 -13.222 65 H GLU 7 HN GLU 7 68.963 -3.883 -9.997 66 HA GLU 7 HA GLU 7 71.742 -4.280 -10.966 67 HB2 GLU 7 HB2 GLU 7 70.193 -1.693 -10.913 68 HB3 GLU 7 HB1 GLU 7 71.949 -1.769 -11.057 69 HG2 GLU 7 HG2 GLU 7 71.724 -3.168 -13.079 70 HG3 GLU 7 HG1 GLU 7 69.970 -3.090 -12.937 71 H LEU 8 HN LEU 8 73.151 -4.445 -9.440 72 HA LEU 8 HA LEU 8 72.587 -3.320 -6.756 73 HB2 LEU 8 HB2 LEU 8 74.235 -5.699 -7.647 74 HB3 LEU 8 HB1 LEU 8 74.367 -4.997 -6.037 75 HG LEU 8 HG LEU 8 71.846 -5.307 -5.815 76 HD11 LEU 8 HD11 LEU 8 72.345 -6.733 -8.424 77 HD12 LEU 8 HD12 LEU 8 71.029 -5.654 -7.980 78 HD13 LEU 8 HD13 LEU 8 71.067 -7.290 -7.346 79 HD21 LEU 8 HD21 LEU 8 73.783 -7.617 -6.042 80 HD22 LEU 8 HD22 LEU 8 72.122 -7.862 -5.502 81 HD23 LEU 8 HD23 LEU 8 73.197 -6.811 -4.584 82 H LEU 9 HN LEU 9 74.343 -2.279 -5.656 83 HA LEU 9 HA LEU 9 76.594 -1.466 -7.421 84 HB2 LEU 9 HB2 LEU 9 75.066 0.428 -7.187 85 HB3 LEU 9 HB1 LEU 9 75.091 0.258 -5.433 86 HG LEU 9 HG LEU 9 77.484 0.778 -5.378 87 HD11 LEU 9 HD11 LEU 9 78.448 -0.052 -7.339 88 HD12 LEU 9 HD12 LEU 9 78.418 1.678 -7.679 89 HD13 LEU 9 HD13 LEU 9 77.186 0.622 -8.372 90 HD21 LEU 9 HD21 LEU 9 75.886 2.743 -7.053 91 HD22 LEU 9 HD22 LEU 9 77.376 3.125 -6.189 92 HD23 LEU 9 HD23 LEU 9 75.930 2.669 -5.291 93 H LYS 10 HN LYS 10 78.306 -2.512 -6.674 94 HA LYS 10 HA LYS 10 78.891 -2.436 -3.765 95 HB2 LYS 10 HB2 LYS 10 79.729 -4.756 -5.506 96 HB3 LYS 10 HB1 LYS 10 79.643 -4.664 -3.760 97 HG2 LYS 10 HG2 LYS 10 77.605 -5.665 -3.909 98 HG3 LYS 10 HG1 LYS 10 76.990 -4.168 -4.562 99 HD2 LYS 10 HD2 LYS 10 78.210 -6.388 -6.229 100 HD3 LYS 10 HD1 LYS 10 76.477 -6.151 -5.993 101 HE2 LYS 10 HE2 LYS 10 76.755 -3.826 -6.901 102 HE3 LYS 10 HE1 LYS 10 78.413 -4.222 -7.312 103 HZ1 LYS 10 HZ1 LYS 10 77.008 -6.294 -8.342 104 HZ2 LYS 10 HZ2 LYS 10 77.566 -4.949 -9.218 105 HZ3 LYS 10 HZ3 LYS 10 75.973 -4.977 -8.623 106 H ASN 11 HN ASN 11 81.349 -3.561 -3.770 107 HA ASN 11 HA ASN 11 83.565 -3.032 -4.021 108 HB2 ASN 11 HB2 ASN 11 82.651 -2.538 -6.862 109 HB3 ASN 11 HB1 ASN 11 84.332 -2.682 -6.350 110 HD21 ASN 11 HD21 ASN 11 84.061 -4.838 -4.484 111 HD22 ASN 11 HD22 ASN 11 83.618 -6.229 -5.347 112 H ALA 12 HN ALA 12 84.072 -1.224 -2.862 113 HA ALA 12 HA ALA 12 84.275 1.253 -4.330 114 HB1 ALA 12 HB1 ALA 12 82.592 1.443 -1.858 115 HB2 ALA 12 HB2 ALA 12 81.847 0.993 -3.388 116 HB3 ALA 12 HB3 ALA 12 82.684 2.538 -3.244 117 H ALA 13 HN ALA 13 85.816 2.478 -3.650 118 HA ALA 13 HA ALA 13 87.039 2.035 -0.989 119 HB1 ALA 13 HB1 ALA 13 89.191 2.567 -1.973 120 HB2 ALA 13 HB2 ALA 13 88.438 2.914 -3.528 121 HB3 ALA 13 HB3 ALA 13 88.475 1.260 -2.911 122 H VAL 14 HN VAL 14 87.098 3.843 0.269 123 HA VAL 14 HA VAL 14 86.715 6.458 -1.113 124 HB VAL 14 HB VAL 14 85.315 7.074 0.945 125 HG11 VAL 14 HG11 VAL 14 84.442 5.093 -1.164 126 HG12 VAL 14 HG12 VAL 14 84.213 6.840 -1.150 127 HG13 VAL 14 HG13 VAL 14 83.299 5.820 -0.039 128 HG21 VAL 14 HG21 VAL 14 85.923 5.129 2.348 129 HG22 VAL 14 HG22 VAL 14 85.236 4.040 1.148 130 HG23 VAL 14 HG23 VAL 14 84.190 5.146 2.037 131 H ARG 15 HN ARG 15 88.669 7.346 -0.911 132 HA ARG 15 HA ARG 15 90.544 7.091 1.081 133 HB2 ARG 15 HB2 ARG 15 89.788 9.524 -0.544 134 HB3 ARG 15 HB1 ARG 15 91.199 9.479 0.513 135 HG2 ARG 15 HG2 ARG 15 92.064 7.525 -0.746 136 HG3 ARG 15 HG1 ARG 15 90.668 7.613 -1.819 137 HD2 ARG 15 HD2 ARG 15 91.324 9.894 -2.491 138 HD3 ARG 15 HD1 ARG 15 92.710 9.812 -1.409 139 HE ARG 15 HE ARG 15 92.657 7.659 -3.331 140 HH11 ARG 15 HH21 ARG 15 93.833 10.770 -2.426 141 HH12 ARG 15 HH22 ARG 15 94.935 10.906 -3.755 142 HH21 ARG 15 HH11 ARG 15 93.981 7.904 -5.204 143 HH22 ARG 15 HH12 ARG 15 95.008 9.294 -5.334 144 H ALA 16 HN ALA 16 91.122 9.021 2.674 145 HA ALA 16 HA ALA 16 89.017 9.146 4.613 146 HB1 ALA 16 HB1 ALA 16 90.557 10.406 5.957 147 HB2 ALA 16 HB2 ALA 16 91.520 10.843 4.547 148 HB3 ALA 16 HB3 ALA 16 91.500 9.176 5.116 149 H GLY 17 HN GLY 17 87.412 10.630 4.835 150 HA2 GLY 17 HA2 GLY 17 86.323 12.688 4.698 151 HA3 GLY 17 HA1 GLY 17 87.747 13.359 3.912 152 H ALA 18 HN ALA 18 85.816 10.534 2.989 153 HA ALA 18 HA ALA 18 84.915 11.940 0.544 154 HB1 ALA 18 HB1 ALA 18 85.305 9.680 -0.629 155 HB2 ALA 18 HB2 ALA 18 86.353 9.298 0.737 156 HB3 ALA 18 HB3 ALA 18 86.719 10.679 -0.295 157 H GLN 19 HN GLN 19 83.091 10.893 -0.504 158 HA GLN 19 HA GLN 19 81.205 9.805 1.473 159 HB2 GLN 19 HB2 GLN 19 80.589 11.778 0.074 160 HB3 GLN 19 HB1 GLN 19 80.728 10.765 -1.360 161 HG2 GLN 19 HG2 GLN 19 78.949 9.315 -0.580 162 HG3 GLN 19 HG1 GLN 19 78.887 10.159 0.968 163 HE21 GLN 19 HE21 GLN 19 76.548 10.018 -0.618 164 HE22 GLN 19 HE22 GLN 19 76.202 11.562 -1.235 165 H ALA 20 HN ALA 20 79.893 7.962 0.981 166 HA ALA 20 HA ALA 20 80.956 6.141 -1.112 167 HB1 ALA 20 HB1 ALA 20 81.311 4.428 0.385 168 HB2 ALA 20 HB2 ALA 20 79.962 4.908 1.416 169 HB3 ALA 20 HB3 ALA 20 81.498 5.762 1.524 170 H CYS 21 HN CYS 21 79.421 5.186 -2.340 171 HA CYS 21 HA CYS 21 76.578 5.484 -1.515 172 HB2 CYS 21 HB2 CYS 21 76.095 5.588 -3.963 173 HB3 CYS 21 HB1 CYS 21 77.070 6.941 -3.385 174 HG CYS 21 HG CYS 21 78.079 5.732 -5.613 175 H PHE 22 HN PHE 22 75.537 3.669 -1.192 176 HA PHE 22 HA PHE 22 76.157 1.250 -2.803 177 HB2 PHE 22 HB2 PHE 22 75.760 1.413 0.199 178 HB3 PHE 22 HB1 PHE 22 75.573 -0.083 -0.705 179 HD1 PHE 22 HD1 PHE 22 77.923 2.514 0.430 180 HD2 PHE 22 HD2 PHE 22 77.500 -1.220 -1.652 181 HE1 PHE 22 HE1 PHE 22 80.369 2.162 0.578 182 HE2 PHE 22 HE2 PHE 22 79.949 -1.572 -1.510 183 HZ PHE 22 HZ PHE 22 81.382 0.117 -0.396 184 H THR 23 HN THR 23 74.322 0.808 -3.913 185 HA THR 23 HA THR 23 71.731 0.996 -2.519 186 HB THR 23 HB THR 23 70.712 2.194 -4.394 187 HG1 THR 23 HG1 THR 23 73.328 2.543 -5.393 188 HG21 THR 23 HG21 THR 23 71.588 4.362 -3.910 189 HG22 THR 23 HG22 THR 23 73.178 3.705 -3.526 190 HG23 THR 23 HG23 THR 23 71.813 3.404 -2.445 191 H CYS 24 HN CYS 24 70.080 -0.375 -3.461 192 HA CYS 24 HA CYS 24 70.942 -2.055 -5.728 193 HB2 CYS 24 HB2 CYS 24 70.260 -3.077 -2.969 194 HB3 CYS 24 HB1 CYS 24 70.188 -4.093 -4.408 195 HG CYS 24 HG CYS 24 72.719 -3.285 -2.978 196 H THR 25 HN THR 25 69.360 -1.257 -7.016 197 HA THR 25 HA THR 25 66.614 -0.994 -6.284 198 HB THR 25 HB THR 25 66.264 -0.946 -8.788 199 HG1 THR 25 HG1 THR 25 67.795 -1.785 -9.920 200 HG21 THR 25 HG21 THR 25 68.469 0.790 -7.646 201 HG22 THR 25 HG22 THR 25 66.737 1.109 -7.536 202 HG23 THR 25 HG23 THR 25 67.545 1.153 -9.103 203 H LEU 26 HN LEU 26 65.167 -2.585 -5.961 204 HA LEU 26 HA LEU 26 65.616 -5.223 -7.263 205 HB2 LEU 26 HB2 LEU 26 64.501 -4.609 -4.519 206 HB3 LEU 26 HB1 LEU 26 64.514 -6.208 -5.254 207 HG LEU 26 HG LEU 26 67.005 -4.537 -4.793 208 HD11 LEU 26 HD11 LEU 26 67.415 -5.761 -2.811 209 HD12 LEU 26 HD12 LEU 26 66.184 -6.966 -3.193 210 HD13 LEU 26 HD13 LEU 26 65.709 -5.342 -2.696 211 HD21 LEU 26 HD21 LEU 26 67.616 -6.075 -6.435 212 HD22 LEU 26 HD22 LEU 26 66.447 -7.279 -5.903 213 HD23 LEU 26 HD23 LEU 26 67.934 -7.031 -4.992 214 H SER 27 HN SER 27 63.878 -6.250 -8.136 215 HA SER 27 HA SER 27 61.566 -4.646 -8.770 216 HB2 SER 27 HB2 SER 27 62.353 -7.500 -9.382 217 HB3 SER 27 HB1 SER 27 60.794 -6.837 -9.856 218 HG SER 27 HG SER 27 62.089 -6.421 -11.544 219 H GLU 28 HN GLU 28 62.449 -6.692 -6.206 220 HA GLU 28 HA GLU 28 59.617 -7.140 -5.431 221 HB2 GLU 28 HB2 GLU 28 60.797 -9.228 -5.848 222 HB3 GLU 28 HB1 GLU 28 62.109 -8.733 -4.786 223 HG2 GLU 28 HG2 GLU 28 60.671 -10.278 -3.597 224 HG3 GLU 28 HG1 GLU 28 60.479 -8.691 -2.869 225 H ALA 29 HN ALA 29 58.890 -6.326 -3.603 226 HA ALA 29 HA ALA 29 60.570 -4.603 -2.003 227 HB1 ALA 29 HB1 ALA 29 58.344 -3.828 -2.392 228 HB2 ALA 29 HB2 ALA 29 58.415 -4.302 -0.693 229 HB3 ALA 29 HB3 ALA 29 57.654 -5.366 -1.876 230 H VAL 30 HN VAL 30 61.011 -4.854 0.208 231 HA VAL 30 HA VAL 30 60.650 -7.581 1.311 232 HB VAL 30 HB VAL 30 63.023 -5.807 1.874 233 HG11 VAL 30 HG11 VAL 30 64.006 -7.970 2.570 234 HG12 VAL 30 HG12 VAL 30 62.492 -8.782 2.180 235 HG13 VAL 30 HG13 VAL 30 62.549 -7.605 3.491 236 HG21 VAL 30 HG21 VAL 30 64.241 -7.245 0.235 237 HG22 VAL 30 HG22 VAL 30 62.986 -6.271 -0.533 238 HG23 VAL 30 HG23 VAL 30 62.708 -7.984 -0.219 239 HA PRO 31 HA PRO 31 58.556 -4.970 4.346 240 HB2 PRO 31 HB2 PRO 31 58.459 -7.107 6.310 241 HB3 PRO 31 HB1 PRO 31 57.140 -6.456 5.331 242 HG2 PRO 31 HG2 PRO 31 58.437 -8.970 5.050 243 HG3 PRO 31 HG1 PRO 31 57.182 -8.276 4.020 244 HD2 PRO 31 HD2 PRO 31 60.013 -8.605 3.430 245 HD3 PRO 31 HD1 PRO 31 58.713 -8.041 2.357 246 H VAL 32 HN VAL 32 59.050 -5.694 7.213 247 HA VAL 32 HA VAL 32 61.874 -4.797 7.409 248 HB VAL 32 HB VAL 32 60.246 -2.992 7.990 249 HG11 VAL 32 HG11 VAL 32 58.567 -4.729 8.952 250 HG12 VAL 32 HG12 VAL 32 58.735 -3.188 9.792 251 HG13 VAL 32 HG13 VAL 32 59.528 -4.628 10.425 252 HG21 VAL 32 HG21 VAL 32 61.758 -4.059 10.390 253 HG22 VAL 32 HG22 VAL 32 61.378 -2.374 10.040 254 HG23 VAL 32 HG23 VAL 32 62.531 -3.244 9.031 255 H GLY 33 HN GLY 33 63.070 -6.223 8.258 256 HA2 GLY 33 HA2 GLY 33 63.652 -7.482 10.304 257 HA3 GLY 33 HA1 GLY 33 62.003 -8.105 10.301 258 H GLU 34 HN GLU 34 62.116 -8.264 7.276 259 HA GLU 34 HA GLU 34 63.389 -10.912 7.135 260 HB2 GLU 34 HB2 GLU 34 61.072 -10.622 6.277 261 HB3 GLU 34 HB1 GLU 34 61.679 -9.451 5.106 262 HG2 GLU 34 HG2 GLU 34 63.086 -11.136 4.065 263 HG3 GLU 34 HG1 GLU 34 62.647 -12.313 5.301 264 H ALA 35 HN ALA 35 63.913 -7.648 6.245 265 HA ALA 35 HA ALA 35 65.731 -8.223 4.055 266 HB1 ALA 35 HB1 ALA 35 65.449 -5.593 5.513 267 HB2 ALA 35 HB2 ALA 35 64.284 -6.117 4.298 268 HB3 ALA 35 HB3 ALA 35 65.972 -5.869 3.849 269 H SER 36 HN SER 36 67.990 -7.310 4.145 270 HA SER 36 HA SER 36 69.197 -7.364 6.824 271 HB2 SER 36 HB2 SER 36 70.162 -9.191 4.618 272 HB3 SER 36 HB1 SER 36 70.805 -9.068 6.254 273 HG SER 36 HG SER 36 68.169 -9.867 5.525 274 H TRP 37 HN TRP 37 70.386 -5.601 6.907 275 HA TRP 37 HA TRP 37 72.235 -4.983 4.710 276 HB2 TRP 37 HB2 TRP 37 70.119 -3.113 5.786 277 HB3 TRP 37 HB1 TRP 37 71.577 -2.525 4.990 278 HD1 TRP 37 HD1 TRP 37 68.176 -3.797 4.298 279 HE1 TRP 37 HE1 TRP 37 67.852 -4.164 1.771 280 HE3 TRP 37 HE3 TRP 37 73.019 -3.362 2.707 281 HZ2 TRP 37 HZ2 TRP 37 69.424 -4.263 -0.607 282 HZ3 TRP 37 HZ3 TRP 37 73.565 -3.595 0.300 283 HH2 TRP 37 HH2 TRP 37 71.777 -4.043 -1.350 284 H TYR 38 HN TYR 38 74.009 -5.451 6.000 285 HA TYR 38 HA TYR 38 74.571 -3.460 8.038 286 HB2 TYR 38 HB2 TYR 38 75.038 -5.043 9.803 287 HB3 TYR 38 HB1 TYR 38 73.357 -5.196 9.291 288 HD1 TYR 38 HD2 TYR 38 72.888 -6.964 7.408 289 HD2 TYR 38 HD1 TYR 38 76.383 -6.965 9.911 290 HE1 TYR 38 HE2 TYR 38 73.262 -9.354 6.892 291 HE2 TYR 38 HE1 TYR 38 76.751 -9.362 9.388 292 HH TYR 38 HH TYR 38 75.119 -10.957 6.864 293 H ILE 39 HN ILE 39 76.715 -3.405 8.734 294 HA ILE 39 HA ILE 39 78.589 -4.180 6.698 295 HB ILE 39 HB ILE 39 79.479 -3.316 9.449 296 HG12 ILE 39 HG12 ILE 39 77.567 -1.842 8.949 297 HG13 ILE 39 HG11 ILE 39 79.073 -0.956 8.884 298 HG21 ILE 39 HG21 ILE 39 81.169 -2.089 8.154 299 HG22 ILE 39 HG22 ILE 39 80.388 -2.585 6.651 300 HG23 ILE 39 HG23 ILE 39 81.143 -3.792 7.690 301 HD11 ILE 39 HD11 ILE 39 77.088 -1.253 6.843 302 HD12 ILE 39 HD12 ILE 39 78.595 -1.965 6.256 303 HD13 ILE 39 HD13 ILE 39 78.561 -0.294 6.808 304 H ASN 40 HN ASN 40 78.799 -6.308 6.498 305 HA ASN 40 HA ASN 40 78.583 -8.284 8.417 306 HB2 ASN 40 HB2 ASN 40 78.798 -8.886 6.106 307 HB3 ASN 40 HB1 ASN 40 80.420 -8.223 6.022 308 HD21 ASN 40 HD21 ASN 40 78.503 -10.833 7.575 309 HD22 ASN 40 HD22 ASN 40 79.827 -11.871 7.813 310 H GLY 41 HN GLY 41 79.398 -7.871 10.368 311 HA2 GLY 41 HA2 GLY 41 81.485 -8.587 11.625 312 HA3 GLY 41 HA1 GLY 41 82.307 -7.363 10.651 313 H ALA 42 HN ALA 42 80.135 -5.481 10.620 314 HA ALA 42 HA ALA 42 79.995 -4.642 13.463 315 HB1 ALA 42 HB1 ALA 42 79.973 -2.414 11.552 316 HB2 ALA 42 HB2 ALA 42 81.435 -3.382 11.404 317 HB3 ALA 42 HB3 ALA 42 81.015 -2.667 12.954 318 H ALA 43 HN ALA 43 77.881 -5.253 13.842 319 HA ALA 43 HA ALA 43 75.750 -5.110 12.038 320 HB1 ALA 43 HB1 ALA 43 75.603 -4.771 15.044 321 HB2 ALA 43 HB2 ALA 43 75.688 -6.325 14.208 322 HB3 ALA 43 HB3 ALA 43 74.293 -5.276 13.972 323 H VAL 44 HN VAL 44 74.292 -3.546 11.469 324 HA VAL 44 HA VAL 44 75.017 -0.778 12.032 325 HB VAL 44 HB VAL 44 72.955 -2.066 10.231 326 HG11 VAL 44 HG11 VAL 44 72.653 0.355 9.398 327 HG12 VAL 44 HG12 VAL 44 73.379 0.849 10.928 328 HG13 VAL 44 HG13 VAL 44 71.868 -0.061 10.924 329 HG21 VAL 44 HG21 VAL 44 74.338 -1.223 8.464 330 HG22 VAL 44 HG22 VAL 44 75.413 -2.000 9.626 331 HG23 VAL 44 HG23 VAL 44 75.284 -0.243 9.588 332 H GLN 45 HN GLN 45 74.313 0.125 13.839 333 HA GLN 45 HA GLN 45 71.729 -0.705 15.007 334 HB2 GLN 45 HB2 GLN 45 74.177 0.657 16.142 335 HB3 GLN 45 HB1 GLN 45 72.670 0.497 17.043 336 HG2 GLN 45 HG2 GLN 45 74.078 -1.865 15.782 337 HG3 GLN 45 HG1 GLN 45 74.384 -1.351 17.443 338 HE21 GLN 45 HE21 GLN 45 72.477 -1.414 18.960 339 HE22 GLN 45 HE22 GLN 45 71.203 -2.481 18.639 340 HA PRO 46 HA PRO 46 69.777 3.104 13.893 341 HB2 PRO 46 HB2 PRO 46 68.719 3.767 16.500 342 HB3 PRO 46 HB1 PRO 46 67.868 2.997 15.152 343 HG2 PRO 46 HG2 PRO 46 68.933 1.793 17.588 344 HG3 PRO 46 HG1 PRO 46 67.781 1.126 16.422 345 HD2 PRO 46 HD2 PRO 46 70.418 0.275 16.722 346 HD3 PRO 46 HD1 PRO 46 69.424 -0.006 15.284 347 H ASP 47 HN ASP 47 71.988 2.817 16.521 348 HA ASP 47 HA ASP 47 72.394 5.663 16.931 349 HB2 ASP 47 HB2 ASP 47 72.575 3.999 18.783 350 HB3 ASP 47 HB1 ASP 47 73.970 3.299 17.970 351 H ASP 48 HN ASP 48 72.831 4.562 14.254 352 HA ASP 48 HA ASP 48 75.752 4.702 13.912 353 HB2 ASP 48 HB2 ASP 48 75.216 3.990 11.588 354 HB3 ASP 48 HB1 ASP 48 74.610 2.862 12.801 355 H SER 49 HN SER 49 76.406 6.788 13.895 356 HA SER 49 HA SER 49 74.797 8.850 12.589 357 HB2 SER 49 HB2 SER 49 76.241 10.431 13.549 358 HB3 SER 49 HB1 SER 49 76.103 9.172 14.773 359 HG SER 49 HG SER 49 78.228 9.809 13.054 360 H ASP 50 HN ASP 50 78.140 7.573 12.217 361 HA ASP 50 HA ASP 50 78.624 9.026 9.812 362 HB2 ASP 50 HB2 ASP 50 79.960 6.748 11.250 363 HB3 ASP 50 HB1 ASP 50 80.446 7.113 9.600 364 H TRP 51 HN TRP 51 77.384 5.811 10.535 365 HA TRP 51 HA TRP 51 76.994 5.266 7.647 366 HB2 TRP 51 HB2 TRP 51 78.254 3.618 9.060 367 HB3 TRP 51 HB1 TRP 51 76.796 3.377 10.013 368 HD1 TRP 51 HD1 TRP 51 74.831 1.992 8.927 369 HE1 TRP 51 HE1 TRP 51 74.713 0.481 6.851 370 HE3 TRP 51 HE3 TRP 51 79.187 3.296 6.654 371 HZ2 TRP 51 HZ2 TRP 51 76.288 -0.104 4.524 372 HZ3 TRP 51 HZ3 TRP 51 79.862 2.259 4.507 373 HH2 TRP 51 HH2 TRP 51 78.416 0.557 3.442 374 H THR 52 HN THR 52 74.914 4.669 6.864 375 HA THR 52 HA THR 52 72.645 4.785 8.726 376 HB THR 52 HB THR 52 72.706 6.561 6.282 377 HG1 THR 52 HG1 THR 52 73.453 8.089 7.509 378 HG21 THR 52 HG21 THR 52 70.711 7.556 7.526 379 HG22 THR 52 HG22 THR 52 70.762 6.127 8.555 380 HG23 THR 52 HG23 THR 52 70.466 5.960 6.822 381 H VAL 53 HN VAL 53 70.857 3.651 8.032 382 HA VAL 53 HA VAL 53 71.035 2.303 5.401 383 HB VAL 53 HB VAL 53 71.588 0.651 7.058 384 HG11 VAL 53 HG11 VAL 53 70.703 1.956 9.007 385 HG12 VAL 53 HG12 VAL 53 70.236 0.258 9.038 386 HG13 VAL 53 HG13 VAL 53 69.073 1.483 8.532 387 HG21 VAL 53 HG21 VAL 53 69.856 -0.954 6.673 388 HG22 VAL 53 HG22 VAL 53 69.835 0.118 5.273 389 HG23 VAL 53 HG23 VAL 53 68.624 0.302 6.541 390 H THR 54 HN THR 54 69.185 2.252 4.229 391 HA THR 54 HA THR 54 66.664 3.129 5.472 392 HB THR 54 HB THR 54 66.350 4.956 4.067 393 HG1 THR 54 HG1 THR 54 68.056 3.518 2.416 394 HG21 THR 54 HG21 THR 54 68.281 5.266 5.673 395 HG22 THR 54 HG22 THR 54 68.303 6.343 4.277 396 HG23 THR 54 HG23 THR 54 69.363 4.933 4.319 397 H ALA 55 HN ALA 55 64.786 2.724 4.159 398 HA ALA 55 HA ALA 55 65.130 0.973 1.826 399 HB1 ALA 55 HB1 ALA 55 63.560 0.125 4.273 400 HB2 ALA 55 HB2 ALA 55 65.082 -0.580 3.732 401 HB3 ALA 55 HB3 ALA 55 63.634 -0.748 2.742 402 H ASP 56 HN ASP 56 64.096 2.308 0.457 403 HA ASP 56 HA ASP 56 61.353 3.204 1.133 404 HB2 ASP 56 HB2 ASP 56 63.443 4.253 -0.782 405 HB3 ASP 56 HB1 ASP 56 61.754 4.748 -0.868 406 H GLY 57 HN GLY 57 59.998 1.609 0.437 407 HA2 GLY 57 HA2 GLY 57 58.832 0.295 -1.075 408 HA3 GLY 57 HA1 GLY 57 59.679 1.151 -2.360 409 H SER 58 HN SER 58 60.544 -0.368 -3.657 410 HA SER 58 HA SER 58 61.841 -2.743 -2.467 411 HB2 SER 58 HB2 SER 58 61.649 -3.771 -4.620 412 HB3 SER 58 HB1 SER 58 60.101 -2.994 -4.289 413 HG SER 58 HG SER 58 61.328 -1.127 -5.419 414 H HIS 59 HN HIS 59 63.111 -0.229 -2.234 415 HA HIS 59 HA HIS 59 65.595 -0.737 -3.763 416 HB2 HIS 59 HB2 HIS 59 64.569 1.123 -4.918 417 HB3 HIS 59 HB1 HIS 59 64.177 1.918 -3.393 418 HD1 HIS 59 HD1 HIS 59 65.618 3.983 -3.579 419 HD2 HIS 59 HD2 HIS 59 67.765 0.473 -4.245 420 HE1 HIS 59 HE1 HIS 59 68.065 4.637 -3.605 421 H HIS 60 HN HIS 60 67.407 -0.733 -2.427 422 HA HIS 60 HA HIS 60 67.005 0.266 0.360 423 HB2 HIS 60 HB2 HIS 60 68.773 -1.973 -0.656 424 HB3 HIS 60 HB1 HIS 60 68.716 -1.403 1.012 425 HD1 HIS 60 HD1 HIS 60 66.071 -1.362 1.978 426 HD2 HIS 60 HD2 HIS 60 67.003 -4.044 -1.070 427 HE1 HIS 60 HE1 HIS 60 64.240 -3.112 1.985 428 H ALA 61 HN ALA 61 68.188 2.007 0.902 429 HA ALA 61 HA ALA 61 70.770 2.442 -0.506 430 HB1 ALA 61 HB1 ALA 61 68.981 4.660 0.483 431 HB2 ALA 61 HB2 ALA 61 68.834 3.999 -1.142 432 HB3 ALA 61 HB3 ALA 61 70.343 4.761 -0.632 433 H LEU 62 HN LEU 62 72.433 2.446 0.778 434 HA LEU 62 HA LEU 62 72.257 3.598 3.461 435 HB2 LEU 62 HB2 LEU 62 73.150 1.722 4.608 436 HB3 LEU 62 HB1 LEU 62 71.874 1.071 3.596 437 HG LEU 62 HG LEU 62 74.837 1.011 2.966 438 HD11 LEU 62 HD11 LEU 62 73.993 -0.481 4.827 439 HD12 LEU 62 HD12 LEU 62 74.671 -1.349 3.449 440 HD13 LEU 62 HD13 LEU 62 72.925 -1.231 3.643 441 HD21 LEU 62 HD21 LEU 62 73.605 1.081 0.893 442 HD22 LEU 62 HD22 LEU 62 72.362 0.015 1.517 443 HD23 LEU 62 HD23 LEU 62 73.974 -0.613 1.174 444 H LEU 63 HN LEU 63 74.011 4.865 3.884 445 HA LEU 63 HA LEU 63 76.338 4.585 2.055 446 HB2 LEU 63 HB2 LEU 63 76.342 7.249 2.304 447 HB3 LEU 63 HB1 LEU 63 75.362 6.435 1.087 448 HG LEU 63 HG LEU 63 74.138 8.194 2.307 449 HD11 LEU 63 HD11 LEU 63 73.166 5.714 1.619 450 HD12 LEU 63 HD12 LEU 63 72.199 7.102 2.088 451 HD13 LEU 63 HD13 LEU 63 72.623 5.888 3.287 452 HD21 LEU 63 HD21 LEU 63 74.416 6.399 4.725 453 HD22 LEU 63 HD22 LEU 63 73.585 7.955 4.649 454 HD23 LEU 63 HD23 LEU 63 75.337 7.882 4.473 455 H LEU 64 HN LEU 64 77.842 6.565 2.812 456 HA LEU 64 HA LEU 64 78.410 6.507 5.655 457 HB2 LEU 64 HB2 LEU 64 79.743 4.592 4.858 458 HB3 LEU 64 HB1 LEU 64 80.438 5.597 3.598 459 HG LEU 64 HG LEU 64 81.539 7.012 5.231 460 HD11 LEU 64 HD11 LEU 64 81.410 6.153 7.706 461 HD12 LEU 64 HD12 LEU 64 79.883 5.437 7.192 462 HD13 LEU 64 HD13 LEU 64 80.116 7.178 7.086 463 HD21 LEU 64 HD21 LEU 64 82.965 5.246 6.388 464 HD22 LEU 64 HD22 LEU 64 82.817 5.061 4.640 465 HD23 LEU 64 HD23 LEU 64 81.870 4.041 5.721 466 H ARG 65 HN ARG 65 78.725 8.598 6.119 467 HA ARG 65 HA ARG 65 79.070 10.499 4.030 468 HB2 ARG 65 HB2 ARG 65 77.973 10.849 6.323 469 HB3 ARG 65 HB1 ARG 65 79.606 10.951 6.978 470 HG2 ARG 65 HG2 ARG 65 80.100 12.815 5.405 471 HG3 ARG 65 HG1 ARG 65 78.438 12.729 4.814 472 HD2 ARG 65 HD2 ARG 65 77.626 13.137 7.130 473 HD3 ARG 65 HD1 ARG 65 79.295 13.329 7.658 474 HE ARG 65 HE ARG 65 79.381 15.404 6.543 475 HH11 ARG 65 HH11 ARG 65 76.226 14.490 7.142 476 HH12 ARG 65 HH12 ARG 65 75.497 15.539 5.972 477 HH21 ARG 65 HH21 ARG 65 78.505 16.442 4.510 478 HH22 ARG 65 HH22 ARG 65 76.783 16.646 4.489 479 H SER 66 HN SER 66 81.148 11.607 6.304 480 HA SER 66 HA SER 66 83.466 11.183 4.682 481 HB2 SER 66 HB2 SER 66 84.668 12.428 6.374 482 HB3 SER 66 HB1 SER 66 83.119 13.217 6.080 483 HG SER 66 HG SER 66 82.529 12.752 8.050 484 H ALA 67 HN ALA 67 84.182 9.163 4.518 485 HA ALA 67 HA ALA 67 84.106 7.240 6.601 486 HB1 ALA 67 HB1 ALA 67 85.985 7.212 4.239 487 HB2 ALA 67 HB2 ALA 67 84.270 6.820 4.083 488 HB3 ALA 67 HB3 ALA 67 85.311 5.830 5.110 489 H GLN 68 HN GLN 68 85.545 6.726 8.130 490 HA GLN 68 HA GLN 68 88.143 8.122 8.143 491 HB2 GLN 68 HB2 GLN 68 86.181 7.782 10.415 492 HB3 GLN 68 HB1 GLN 68 87.859 8.254 10.652 493 HG2 GLN 68 HG2 GLN 68 87.575 10.304 9.525 494 HG3 GLN 68 HG1 GLN 68 86.091 9.771 8.733 495 HE21 GLN 68 HE21 GLN 68 86.682 12.118 10.676 496 HE22 GLN 68 HE22 GLN 68 85.493 11.943 11.875 497 HA PRO 69 HA PRO 69 89.871 4.065 8.654 498 HB2 PRO 69 HB2 PRO 69 91.710 4.809 10.767 499 HB3 PRO 69 HB1 PRO 69 92.060 4.556 9.054 500 HG2 PRO 69 HG2 PRO 69 91.734 7.058 10.525 501 HG3 PRO 69 HG1 PRO 69 92.437 6.783 8.925 502 HD2 PRO 69 HD2 PRO 69 90.005 8.025 9.379 503 HD3 PRO 69 HD1 PRO 69 90.458 7.247 7.846 504 H HIS 70 HN HIS 70 88.027 3.087 9.557 505 HA HIS 70 HA HIS 70 88.224 1.818 11.976 506 HB2 HIS 70 HB2 HIS 70 87.232 4.601 12.270 507 HB3 HIS 70 HB1 HIS 70 86.239 3.393 13.077 508 HD1 HIS 70 HD1 HIS 70 88.158 1.470 14.260 509 HD2 HIS 70 HD2 HIS 70 88.986 5.549 14.151 510 HE1 HIS 70 HE1 HIS 70 89.887 1.892 16.062 511 H HIS 71 HN HIS 71 86.201 3.312 9.584 512 HA HIS 71 HA HIS 71 83.899 1.635 10.169 513 HB2 HIS 71 HB2 HIS 71 84.467 3.587 7.932 514 HB3 HIS 71 HB1 HIS 71 82.920 2.787 8.210 515 HD1 HIS 71 HD1 HIS 71 84.943 5.660 9.283 516 HD2 HIS 71 HD2 HIS 71 81.719 3.501 10.810 517 HE1 HIS 71 HE1 HIS 71 83.924 7.092 11.103 518 H ALA 72 HN ALA 72 86.785 1.054 8.682 519 HA ALA 72 HA ALA 72 86.011 -0.218 6.274 520 HB1 ALA 72 HB1 ALA 72 88.342 0.460 6.870 521 HB2 ALA 72 HB2 ALA 72 88.202 -1.188 6.258 522 HB3 ALA 72 HB3 ALA 72 88.399 -0.903 7.989 523 H GLY 73 HN GLY 73 85.607 -2.352 5.779 524 HA2 GLY 73 HA2 GLY 73 85.875 -4.585 7.370 525 HA3 GLY 73 HA1 GLY 73 84.314 -3.904 7.812 526 H GLU 74 HN GLU 74 83.177 -5.680 6.996 527 HA GLU 74 HA GLU 74 83.154 -5.958 4.045 528 HB2 GLU 74 HB2 GLU 74 82.711 -8.030 6.202 529 HB3 GLU 74 HB1 GLU 74 82.281 -8.284 4.510 530 HG2 GLU 74 HG2 GLU 74 84.571 -7.971 3.813 531 HG3 GLU 74 HG1 GLU 74 85.050 -7.488 5.442 532 H VAL 75 HN VAL 75 81.020 -6.752 3.209 533 HA VAL 75 HA VAL 75 78.731 -5.655 4.748 534 HB VAL 75 HB VAL 75 79.419 -5.138 1.853 535 HG11 VAL 75 HG11 VAL 75 77.043 -5.485 1.919 536 HG12 VAL 75 HG12 VAL 75 77.284 -3.737 1.956 537 HG13 VAL 75 HG13 VAL 75 76.897 -4.601 3.439 538 HG21 VAL 75 HG21 VAL 75 78.991 -3.267 4.199 539 HG22 VAL 75 HG22 VAL 75 79.460 -2.803 2.564 540 HG23 VAL 75 HG23 VAL 75 80.567 -3.743 3.560 541 H THR 76 HN THR 76 76.937 -6.907 4.760 542 HA THR 76 HA THR 76 76.683 -9.025 2.699 543 HB THR 76 HB THR 76 76.384 -9.379 5.688 544 HG1 THR 76 HG1 THR 76 78.173 -10.160 3.709 545 HG21 THR 76 HG21 THR 76 74.545 -10.572 4.818 546 HG22 THR 76 HG22 THR 76 75.817 -11.787 4.911 547 HG23 THR 76 HG23 THR 76 75.424 -11.044 3.361 548 H PHE 77 HN PHE 77 74.770 -9.080 1.777 549 HA PHE 77 HA PHE 77 72.407 -7.977 3.170 550 HB2 PHE 77 HB2 PHE 77 72.668 -6.168 1.786 551 HB3 PHE 77 HB1 PHE 77 73.657 -7.057 0.634 552 HD1 PHE 77 HD2 PHE 77 70.161 -7.547 1.931 553 HD2 PHE 77 HD1 PHE 77 72.676 -6.929 -1.489 554 HE1 PHE 77 HE2 PHE 77 68.206 -7.824 0.457 555 HE2 PHE 77 HE1 PHE 77 70.713 -7.209 -2.976 556 HZ PHE 77 HZ PHE 77 68.476 -7.661 -2.003 557 H ALA 78 HN ALA 78 70.540 -9.066 2.834 558 HA ALA 78 HA ALA 78 70.253 -10.996 0.723 559 HB1 ALA 78 HB1 ALA 78 71.653 -12.333 2.195 560 HB2 ALA 78 HB2 ALA 78 70.006 -12.962 2.231 561 HB3 ALA 78 HB3 ALA 78 70.601 -11.976 3.564 562 H CYS 79 HN CYS 79 68.143 -11.618 0.434 563 HA CYS 79 HA CYS 79 66.137 -11.138 2.456 564 HB2 CYS 79 HB2 CYS 79 64.836 -9.544 1.072 565 HB3 CYS 79 HB1 CYS 79 66.383 -8.870 1.589 566 HG CYS 79 HG CYS 79 65.565 -9.376 -1.287 567 H ARG 80 HN ARG 80 64.312 -10.776 -0.078 568 HA ARG 80 HA ARG 80 63.292 -13.336 -0.221 569 HB2 ARG 80 HB2 ARG 80 63.310 -11.255 -2.410 570 HB3 ARG 80 HB1 ARG 80 62.213 -12.630 -2.304 571 HG2 ARG 80 HG2 ARG 80 62.409 -10.689 0.002 572 HG3 ARG 80 HG1 ARG 80 61.428 -10.287 -1.402 573 HD2 ARG 80 HD2 ARG 80 61.136 -12.768 0.315 574 HD3 ARG 80 HD1 ARG 80 60.045 -11.385 0.286 575 HE ARG 80 HE ARG 80 60.168 -12.243 -2.329 576 HH11 ARG 80 HH21 ARG 80 59.146 -13.384 0.761 577 HH12 ARG 80 HH22 ARG 80 58.116 -14.620 0.122 578 HH21 ARG 80 HH11 ARG 80 58.943 -13.946 -3.188 579 HH22 ARG 80 HH12 ARG 80 58.001 -14.941 -2.124 580 H ASP 81 HN ASP 81 65.176 -14.721 -0.327 581 HA ASP 81 HA ASP 81 66.666 -16.077 -1.422 582 HB2 ASP 81 HB2 ASP 81 64.425 -16.588 -2.507 583 HB3 ASP 81 HB1 ASP 81 64.942 -15.561 -3.842 584 H ALA 82 HN ALA 82 66.645 -12.906 -1.968 585 HA ALA 82 HA ALA 82 68.484 -12.913 -4.263 586 HB1 ALA 82 HB1 ALA 82 67.032 -11.146 -4.620 587 HB2 ALA 82 HB2 ALA 82 68.254 -10.301 -3.668 588 HB3 ALA 82 HB3 ALA 82 66.775 -10.876 -2.899 589 H VAL 83 HN VAL 83 70.322 -13.830 -3.345 590 HA VAL 83 HA VAL 83 71.487 -12.673 -0.927 591 HB VAL 83 HB VAL 83 71.545 -15.136 -1.342 592 HG11 VAL 83 HG11 VAL 83 73.670 -14.544 -3.411 593 HG12 VAL 83 HG12 VAL 83 71.982 -14.762 -3.870 594 HG13 VAL 83 HG13 VAL 83 72.854 -16.075 -3.082 595 HG21 VAL 83 HG21 VAL 83 74.256 -13.767 -1.251 596 HG22 VAL 83 HG22 VAL 83 73.905 -15.399 -0.675 597 HG23 VAL 83 HG23 VAL 83 73.190 -14.003 0.131 598 H ALA 84 HN ALA 84 73.400 -11.550 -0.813 599 HA ALA 84 HA ALA 84 75.018 -11.032 -3.151 600 HB1 ALA 84 HB1 ALA 84 72.969 -9.094 -2.225 601 HB2 ALA 84 HB2 ALA 84 73.655 -9.314 -3.833 602 HB3 ALA 84 HB3 ALA 84 74.550 -8.412 -2.610 603 H SER 85 HN SER 85 76.545 -9.070 -2.539 604 HA SER 85 HA SER 85 77.267 -8.899 0.254 605 HB2 SER 85 HB2 SER 85 79.141 -10.259 -1.695 606 HB3 SER 85 HB1 SER 85 79.547 -9.787 -0.046 607 HG SER 85 HG SER 85 78.023 -11.235 0.707 608 H ALA 86 HN ALA 86 79.557 -7.715 0.298 609 HA ALA 86 HA ALA 86 80.227 -6.100 -1.940 610 HB1 ALA 86 HB1 ALA 86 78.164 -5.059 -0.098 611 HB2 ALA 86 HB2 ALA 86 78.556 -4.549 -1.731 612 HB3 ALA 86 HB3 ALA 86 79.503 -3.943 -0.379 613 H ARG 87 HN ARG 87 81.906 -4.516 -1.428 614 HA ARG 87 HA ARG 87 83.388 -5.220 1.049 615 HB2 ARG 87 HB2 ARG 87 84.377 -4.601 -1.737 616 HB3 ARG 87 HB1 ARG 87 85.427 -4.684 -0.321 617 HG2 ARG 87 HG2 ARG 87 84.698 -6.997 0.092 618 HG3 ARG 87 HG1 ARG 87 83.633 -6.919 -1.311 619 HD2 ARG 87 HD2 ARG 87 85.603 -6.446 -2.746 620 HD3 ARG 87 HD1 ARG 87 86.647 -6.620 -1.337 621 HE ARG 87 HE ARG 87 86.277 -8.950 -1.381 622 HH11 ARG 87 HH21 ARG 87 85.315 -7.411 -4.242 623 HH12 ARG 87 HH22 ARG 87 84.444 -8.765 -4.886 624 HH21 ARG 87 HH11 ARG 87 84.745 -10.660 -1.997 625 HH22 ARG 87 HH12 ARG 87 84.126 -10.604 -3.613 626 H LEU 88 HN LEU 88 83.988 -3.616 2.343 627 HA LEU 88 HA LEU 88 83.734 -0.812 1.393 628 HB2 LEU 88 HB2 LEU 88 81.932 -1.452 2.965 629 HB3 LEU 88 HB1 LEU 88 83.144 -1.904 4.163 630 HG LEU 88 HG LEU 88 84.026 0.449 4.083 631 HD11 LEU 88 HD11 LEU 88 82.163 2.073 3.101 632 HD12 LEU 88 HD12 LEU 88 81.810 0.692 2.063 633 HD13 LEU 88 HD13 LEU 88 83.422 1.414 2.060 634 HD21 LEU 88 HD21 LEU 88 82.400 -0.297 5.803 635 HD22 LEU 88 HD22 LEU 88 81.072 0.176 4.742 636 HD23 LEU 88 HD23 LEU 88 82.166 1.400 5.386 637 H THR 89 HN THR 89 85.566 0.365 1.525 638 HA THR 89 HA THR 89 87.496 -0.200 3.647 639 HB THR 89 HB THR 89 88.306 -1.631 1.841 640 HG1 THR 89 HG1 THR 89 90.323 -0.351 1.456 641 HG21 THR 89 HG21 THR 89 88.614 0.848 0.161 642 HG22 THR 89 HG22 THR 89 87.166 -0.155 0.056 643 HG23 THR 89 HG23 THR 89 88.744 -0.835 -0.344 644 H VAL 90 HN VAL 90 88.994 1.447 4.047 645 HA VAL 90 HA VAL 90 88.395 4.055 2.764 646 HB VAL 90 HB VAL 90 87.339 4.028 4.979 647 HG11 VAL 90 HG11 VAL 90 89.198 2.288 5.786 648 HG12 VAL 90 HG12 VAL 90 88.402 3.358 6.934 649 HG13 VAL 90 HG13 VAL 90 90.012 3.751 6.332 650 HG21 VAL 90 HG21 VAL 90 89.896 5.631 5.208 651 HG22 VAL 90 HG22 VAL 90 88.283 6.063 5.776 652 HG23 VAL 90 HG23 VAL 90 88.638 6.059 4.052 653 H LEU 91 HN LEU 91 90.198 4.545 1.642 654 HA LEU 91 HA LEU 91 92.798 3.632 2.561 655 HB2 LEU 91 HB2 LEU 91 92.063 5.414 0.228 656 HB3 LEU 91 HB1 LEU 91 93.663 4.750 0.539 657 HG LEU 91 HG LEU 91 91.184 3.036 0.168 658 HD11 LEU 91 HD11 LEU 91 91.709 4.358 -1.875 659 HD12 LEU 91 HD12 LEU 91 91.991 2.631 -2.112 660 HD13 LEU 91 HD13 LEU 91 93.352 3.722 -1.844 661 HD21 LEU 91 HD21 LEU 91 94.151 2.488 0.412 662 HD22 LEU 91 HD22 LEU 91 93.087 1.344 -0.415 663 HD23 LEU 91 HD23 LEU 91 92.816 1.729 1.280 664 H GLY 92 HN GLY 92 94.277 4.743 3.647 665 HA2 GLY 92 HA2 GLY 92 93.739 7.608 4.241 666 HA3 GLY 92 HA1 GLY 92 94.368 6.466 5.430 667 H LEU 93 HN LEU 93 95.193 8.863 3.344 668 HA LEU 93 HA LEU 93 97.983 7.946 3.082 669 HB2 LEU 93 HB2 LEU 93 96.760 10.182 1.466 670 HB3 LEU 93 HB1 LEU 93 98.186 9.208 1.104 671 HG LEU 93 HG LEU 93 95.336 8.153 1.146 672 HD11 LEU 93 HD11 LEU 93 95.543 8.077 -1.291 673 HD12 LEU 93 HD12 LEU 93 97.173 8.743 -1.189 674 HD13 LEU 93 HD13 LEU 93 95.788 9.725 -0.720 675 HD21 LEU 93 HD21 LEU 93 96.490 6.213 -0.048 676 HD22 LEU 93 HD22 LEU 93 96.864 6.374 1.670 677 HD23 LEU 93 HD23 LEU 93 98.020 6.931 0.460 678 HA PRO 94 HA PRO 94 98.955 11.032 6.074 679 HB2 PRO 94 HB2 PRO 94 101.197 12.162 4.631 680 HB3 PRO 94 HB1 PRO 94 101.228 11.066 6.017 681 HG2 PRO 94 HG2 PRO 94 101.748 10.478 3.234 682 HG3 PRO 94 HG1 PRO 94 101.948 9.427 4.645 683 HD2 PRO 94 HD2 PRO 94 99.972 9.175 2.636 684 HD3 PRO 94 HD1 PRO 94 99.998 8.326 4.194 685 H ASP 95 HN ASP 95 97.869 12.938 6.337 686 HA ASP 95 HA ASP 95 97.171 14.524 3.989 687 HB2 ASP 95 HB2 ASP 95 96.368 14.713 6.894 688 HB3 ASP 95 HB1 ASP 95 95.814 15.831 5.647 689 H GLY 96 HN GLY 96 97.896 16.546 3.545 690 HA2 GLY 96 HA2 GLY 96 100.337 17.436 4.729 691 HA3 GLY 96 HA1 GLY 96 99.358 18.335 3.571 692 H LEU 97 HN LEU 97 98.576 20.182 4.331 693 HA LEU 97 HA LEU 97 98.278 20.572 7.243 694 HB2 LEU 97 HB2 LEU 97 98.224 22.599 4.991 695 HB3 LEU 97 HB1 LEU 97 98.241 22.953 6.715 696 HG LEU 97 HG LEU 97 100.417 21.407 5.271 697 HD11 LEU 97 HD11 LEU 97 101.744 23.549 5.719 698 HD12 LEU 97 HD12 LEU 97 100.192 24.330 6.024 699 HD13 LEU 97 HD13 LEU 97 100.534 23.634 4.440 700 HD21 LEU 97 HD21 LEU 97 101.635 22.186 7.482 701 HD22 LEU 97 HD22 LEU 97 100.578 20.778 7.523 702 HD23 LEU 97 HD23 LEU 97 99.993 22.330 8.110 703 H GLU 98 HN GLU 98 96.378 19.648 4.672 704 HA GLU 98 HA GLU 98 94.053 21.256 5.188 705 HB2 GLU 98 HB2 GLU 98 94.549 20.166 2.980 706 HB3 GLU 98 HB1 GLU 98 94.191 18.613 3.736 707 HG2 GLU 98 HG2 GLU 98 91.931 19.348 4.291 708 HG3 GLU 98 HG1 GLU 98 92.273 20.956 3.653 709 H HIS 99 HN HIS 99 92.599 21.001 6.743 710 HA HIS 99 HA HIS 99 91.871 18.367 7.724 711 HB2 HIS 99 HB2 HIS 99 93.860 18.940 9.088 712 HB3 HIS 99 HB1 HIS 99 93.054 20.417 9.611 713 HD1 HIS 99 HD1 HIS 99 92.045 16.723 9.462 714 HD2 HIS 99 HD2 HIS 99 91.861 19.993 12.045 715 HE1 HIS 99 HE1 HIS 99 90.869 15.920 11.560 716 H HIS 100 HN HIS 100 89.827 18.309 8.512 717 HA HIS 100 HA HIS 100 88.404 20.875 8.945 718 HB2 HIS 100 HB2 HIS 100 87.405 18.455 7.415 719 HB3 HIS 100 HB1 HIS 100 86.403 19.827 7.883 720 HD1 HIS 100 HD1 HIS 100 89.204 18.846 5.584 721 HD2 HIS 100 HD2 HIS 100 86.855 22.202 6.361 722 HE1 HIS 100 HE1 HIS 100 89.665 20.495 3.721 723 H HIS 101 HN HIS 101 87.143 20.934 10.713 724 HA HIS 101 HA HIS 101 87.246 18.669 12.541 725 HB2 HIS 101 HB2 HIS 101 86.384 20.225 14.182 726 HB3 HIS 101 HB1 HIS 101 87.675 21.020 13.281 727 HD1 HIS 101 HD1 HIS 101 86.980 22.819 11.520 728 HD2 HIS 101 HD2 HIS 101 83.806 21.312 13.753 729 HE1 HIS 101 HE1 HIS 101 85.010 24.343 11.072 730 H HIS 102 HN HIS 102 85.222 18.106 13.753 731 HA HIS 102 HA HIS 102 82.993 17.795 11.841 732 HB2 HIS 102 HB2 HIS 102 83.638 16.280 14.383 733 HB3 HIS 102 HB1 HIS 102 82.299 15.937 13.286 734 HD1 HIS 102 HD1 HIS 102 83.240 15.688 10.621 735 HD2 HIS 102 HD2 HIS 102 85.838 14.748 13.746 736 HE1 HIS 102 HE1 HIS 102 85.079 14.263 9.620 737 H HIS 103 HN HIS 103 81.231 18.950 12.112 738 HA HIS 103 HA HIS 103 80.858 20.737 14.288 739 HB2 HIS 103 HB2 HIS 103 79.012 19.791 12.090 740 HB3 HIS 103 HB1 HIS 103 78.564 21.024 13.271 741 HD1 HIS 103 HD1 HIS 103 79.940 23.259 13.248 742 HD2 HIS 103 HD2 HIS 103 80.822 20.665 10.107 743 HE1 HIS 103 HE1 HIS 103 81.288 24.596 11.576 744 H HIS 104 HN HIS 104 79.550 17.539 13.522 745 HA HIS 104 HA HIS 104 77.606 17.474 15.577 746 HB2 HIS 104 HB2 HIS 104 79.082 15.234 14.176 747 HB3 HIS 104 HB1 HIS 104 77.733 14.989 15.283 748 HD1 HIS 104 HD1 HIS 104 75.387 15.957 14.529 749 HD2 HIS 104 HD2 HIS 104 78.346 16.070 11.588 750 HE1 HIS 104 HE1 HIS 104 74.205 16.390 12.339 Start of MODEL 8 1 H1 TRP 1 HT1 TRP 1 58.600 -15.633 -15.433 2 H2 TRP 1 HT2 TRP 1 60.080 -16.383 -15.057 3 H3 TRP 1 HT3 TRP 1 59.794 -15.800 -16.628 4 HA TRP 1 HA TRP 1 61.195 -14.223 -15.629 5 HB2 TRP 1 HB2 TRP 1 58.320 -13.280 -15.405 6 HB3 TRP 1 HB1 TRP 1 59.737 -12.236 -15.537 7 HD1 TRP 1 HD1 TRP 1 57.259 -14.058 -17.589 8 HE1 TRP 1 HE1 TRP 1 57.938 -14.017 -20.076 9 HE3 TRP 1 HE3 TRP 1 62.053 -12.340 -17.169 10 HZ2 TRP 1 HZ2 TRP 1 60.209 -13.349 -21.674 11 HZ3 TRP 1 HZ3 TRP 1 63.450 -12.011 -19.191 12 HH2 TRP 1 HH2 TRP 1 62.533 -12.513 -21.442 13 H ARG 2 HN ARG 2 62.196 -14.667 -13.712 14 HA ARG 2 HA ARG 2 60.673 -14.589 -11.203 15 HB2 ARG 2 HB2 ARG 2 63.566 -15.239 -11.807 16 HB3 ARG 2 HB1 ARG 2 62.858 -15.255 -10.192 17 HG2 ARG 2 HG2 ARG 2 61.268 -16.982 -10.864 18 HG3 ARG 2 HG1 ARG 2 61.867 -16.923 -12.524 19 HD2 ARG 2 HD2 ARG 2 62.896 -18.810 -11.366 20 HD3 ARG 2 HD1 ARG 2 64.120 -17.589 -11.701 21 HE ARG 2 HE ARG 2 62.981 -17.181 -9.121 22 HH11 ARG 2 HH11 ARG 2 63.722 -20.202 -9.445 23 HH12 ARG 2 HH12 ARG 2 65.296 -20.208 -8.723 24 HH21 ARG 2 HH21 ARG 2 65.640 -16.762 -8.800 25 HH22 ARG 2 HH22 ARG 2 66.379 -18.263 -8.353 26 H LEU 3 HN LEU 3 60.896 -13.017 -9.669 27 HA LEU 3 HA LEU 3 62.328 -10.563 -10.490 28 HB2 LEU 3 HB2 LEU 3 60.303 -10.981 -8.282 29 HB3 LEU 3 HB1 LEU 3 60.996 -9.446 -8.789 30 HG LEU 3 HG LEU 3 60.008 -9.813 -11.073 31 HD11 LEU 3 HD11 LEU 3 59.082 -12.337 -9.735 32 HD12 LEU 3 HD12 LEU 3 59.574 -12.065 -11.409 33 HD13 LEU 3 HD13 LEU 3 57.979 -11.562 -10.871 34 HD21 LEU 3 HD21 LEU 3 57.884 -9.965 -8.922 35 HD22 LEU 3 HD22 LEU 3 57.820 -9.081 -10.447 36 HD23 LEU 3 HD23 LEU 3 58.883 -8.533 -9.152 37 H GLU 4 HN GLU 4 64.326 -10.325 -9.652 38 HA GLU 4 HA GLU 4 64.730 -10.990 -6.807 39 HB2 GLU 4 HB2 GLU 4 65.528 -12.862 -8.337 40 HB3 GLU 4 HB1 GLU 4 66.737 -11.737 -8.947 41 HG2 GLU 4 HG2 GLU 4 67.819 -12.927 -7.195 42 HG3 GLU 4 HG1 GLU 4 67.390 -11.376 -6.497 43 H ILE 5 HN ILE 5 67.640 -10.412 -8.192 44 HA ILE 5 HA ILE 5 67.636 -7.580 -7.393 45 HB ILE 5 HB ILE 5 69.873 -9.583 -7.763 46 HG12 ILE 5 HG12 ILE 5 69.089 -7.962 -5.332 47 HG13 ILE 5 HG11 ILE 5 68.436 -9.560 -5.650 48 HG21 ILE 5 HG21 ILE 5 69.969 -6.597 -7.261 49 HG22 ILE 5 HG22 ILE 5 70.776 -7.500 -8.544 50 HG23 ILE 5 HG23 ILE 5 71.310 -7.674 -6.874 51 HD11 ILE 5 HD11 ILE 5 70.659 -9.211 -4.195 52 HD12 ILE 5 HD12 ILE 5 71.409 -9.256 -5.787 53 HD13 ILE 5 HD13 ILE 5 70.440 -10.621 -5.229 54 H LEU 6 HN LEU 6 67.565 -6.062 -8.928 55 HA LEU 6 HA LEU 6 68.145 -6.792 -11.703 56 HB2 LEU 6 HB2 LEU 6 67.269 -4.092 -10.696 57 HB3 LEU 6 HB1 LEU 6 66.994 -4.828 -12.277 58 HG LEU 6 HG LEU 6 65.770 -5.685 -9.644 59 HD11 LEU 6 HD11 LEU 6 64.276 -4.831 -12.114 60 HD12 LEU 6 HD12 LEU 6 64.916 -3.616 -11.005 61 HD13 LEU 6 HD13 LEU 6 63.756 -4.805 -10.429 62 HD21 LEU 6 HD21 LEU 6 65.757 -6.936 -12.399 63 HD22 LEU 6 HD22 LEU 6 64.482 -7.263 -11.229 64 HD23 LEU 6 HD23 LEU 6 66.146 -7.694 -10.855 65 H GLU 7 HN GLU 7 68.868 -3.841 -9.790 66 HA GLU 7 HA GLU 7 71.670 -3.993 -10.756 67 HB2 GLU 7 HB2 GLU 7 69.855 -1.573 -10.547 68 HB3 GLU 7 HB1 GLU 7 71.592 -1.494 -10.852 69 HG2 GLU 7 HG2 GLU 7 71.322 -2.834 -12.888 70 HG3 GLU 7 HG1 GLU 7 69.594 -2.985 -12.580 71 H LEU 8 HN LEU 8 72.989 -4.220 -9.120 72 HA LEU 8 HA LEU 8 72.340 -2.966 -6.513 73 HB2 LEU 8 HB2 LEU 8 73.162 -4.840 -5.341 74 HB3 LEU 8 HB1 LEU 8 72.152 -5.513 -6.614 75 HG LEU 8 HG LEU 8 75.185 -5.302 -6.701 76 HD11 LEU 8 HD11 LEU 8 75.292 -7.562 -6.165 77 HD12 LEU 8 HD12 LEU 8 73.631 -7.875 -6.670 78 HD13 LEU 8 HD13 LEU 8 73.948 -7.041 -5.151 79 HD21 LEU 8 HD21 LEU 8 74.494 -5.196 -8.956 80 HD22 LEU 8 HD22 LEU 8 73.111 -6.254 -8.677 81 HD23 LEU 8 HD23 LEU 8 74.744 -6.921 -8.700 82 H LEU 9 HN LEU 9 74.002 -1.975 -5.389 83 HA LEU 9 HA LEU 9 76.427 -1.443 -7.001 84 HB2 LEU 9 HB2 LEU 9 74.860 0.418 -6.068 85 HB3 LEU 9 HB1 LEU 9 75.607 0.053 -4.519 86 HG LEU 9 HG LEU 9 77.420 0.551 -6.881 87 HD11 LEU 9 HD11 LEU 9 75.899 2.682 -5.367 88 HD12 LEU 9 HD12 LEU 9 75.950 2.422 -7.113 89 HD13 LEU 9 HD13 LEU 9 77.382 3.004 -6.265 90 HD21 LEU 9 HD21 LEU 9 78.443 -0.090 -4.764 91 HD22 LEU 9 HD22 LEU 9 77.548 1.170 -3.913 92 HD23 LEU 9 HD23 LEU 9 78.797 1.609 -5.075 93 H LYS 10 HN LYS 10 78.100 -2.606 -6.484 94 HA LYS 10 HA LYS 10 78.671 -3.275 -3.655 95 HB2 LYS 10 HB2 LYS 10 78.250 -5.073 -5.973 96 HB3 LYS 10 HB1 LYS 10 79.722 -5.412 -5.071 97 HG2 LYS 10 HG2 LYS 10 77.972 -6.757 -4.161 98 HG3 LYS 10 HG1 LYS 10 78.356 -5.513 -2.983 99 HD2 LYS 10 HD2 LYS 10 76.248 -4.579 -4.764 100 HD3 LYS 10 HD1 LYS 10 75.802 -6.125 -4.074 101 HE2 LYS 10 HE2 LYS 10 75.955 -5.326 -1.857 102 HE3 LYS 10 HE1 LYS 10 76.869 -3.898 -2.332 103 HZ1 LYS 10 HZ1 LYS 10 74.977 -2.953 -3.331 104 HZ2 LYS 10 HZ2 LYS 10 74.431 -3.562 -1.841 105 HZ3 LYS 10 HZ3 LYS 10 74.106 -4.406 -3.279 106 H ASN 11 HN ASN 11 81.027 -4.276 -3.658 107 HA ASN 11 HA ASN 11 83.241 -3.747 -3.747 108 HB2 ASN 11 HB2 ASN 11 82.511 -3.307 -6.647 109 HB3 ASN 11 HB1 ASN 11 84.156 -3.466 -6.034 110 HD21 ASN 11 HD21 ASN 11 82.260 -5.263 -7.791 111 HD22 ASN 11 HD22 ASN 11 82.457 -6.799 -7.093 112 H ALA 12 HN ALA 12 83.855 -1.968 -2.665 113 HA ALA 12 HA ALA 12 84.170 0.489 -4.119 114 HB1 ALA 12 HB1 ALA 12 82.782 1.855 -2.510 115 HB2 ALA 12 HB2 ALA 12 82.065 0.337 -1.966 116 HB3 ALA 12 HB3 ALA 12 81.872 0.856 -3.640 117 H ALA 13 HN ALA 13 85.617 1.807 -3.309 118 HA ALA 13 HA ALA 13 86.794 1.248 -0.640 119 HB1 ALA 13 HB1 ALA 13 88.211 2.254 -3.134 120 HB2 ALA 13 HB2 ALA 13 88.313 0.605 -2.515 121 HB3 ALA 13 HB3 ALA 13 88.954 1.945 -1.564 122 H VAL 14 HN VAL 14 86.672 2.992 0.711 123 HA VAL 14 HA VAL 14 85.921 5.594 -0.493 124 HB VAL 14 HB VAL 14 84.818 6.063 1.640 125 HG11 VAL 14 HG11 VAL 14 84.136 3.461 0.250 126 HG12 VAL 14 HG12 VAL 14 83.477 5.061 -0.082 127 HG13 VAL 14 HG13 VAL 14 83.068 4.235 1.421 128 HG21 VAL 14 HG21 VAL 14 85.952 4.889 3.321 129 HG22 VAL 14 HG22 VAL 14 86.064 3.413 2.369 130 HG23 VAL 14 HG23 VAL 14 84.531 3.874 3.106 131 H ARG 15 HN ARG 15 87.521 6.903 -0.620 132 HA ARG 15 HA ARG 15 89.869 6.908 0.956 133 HB2 ARG 15 HB2 ARG 15 88.598 9.062 -0.735 134 HB3 ARG 15 HB1 ARG 15 90.177 9.237 0.035 135 HG2 ARG 15 HG2 ARG 15 90.950 7.196 -1.155 136 HG3 ARG 15 HG1 ARG 15 89.387 7.109 -1.971 137 HD2 ARG 15 HD2 ARG 15 89.755 9.353 -2.919 138 HD3 ARG 15 HD1 ARG 15 91.322 9.431 -2.113 139 HE ARG 15 HE ARG 15 90.706 7.984 -4.529 140 HH11 ARG 15 HH11 ARG 15 93.349 9.316 -3.845 141 HH12 ARG 15 HH12 ARG 15 94.388 7.946 -3.624 142 HH21 ARG 15 HH21 ARG 15 91.776 5.685 -3.319 143 HH22 ARG 15 HH22 ARG 15 93.497 5.890 -3.326 144 H ALA 16 HN ALA 16 90.565 8.801 2.317 145 HA ALA 16 HA ALA 16 88.744 9.130 4.496 146 HB1 ALA 16 HB1 ALA 16 91.188 9.099 4.817 147 HB2 ALA 16 HB2 ALA 16 90.484 10.591 5.437 148 HB3 ALA 16 HB3 ALA 16 91.327 10.595 3.890 149 H GLY 17 HN GLY 17 87.322 10.755 4.931 150 HA2 GLY 17 HA2 GLY 17 86.089 12.682 4.650 151 HA3 GLY 17 HA1 GLY 17 87.531 13.401 3.939 152 H ALA 18 HN ALA 18 85.649 10.590 2.858 153 HA ALA 18 HA ALA 18 84.935 12.040 0.369 154 HB1 ALA 18 HB1 ALA 18 85.269 9.873 -0.830 155 HB2 ALA 18 HB2 ALA 18 85.967 9.206 0.645 156 HB3 ALA 18 HB3 ALA 18 86.762 10.547 -0.177 157 H GLN 19 HN GLN 19 82.989 11.393 -0.614 158 HA GLN 19 HA GLN 19 81.032 10.262 1.264 159 HB2 GLN 19 HB2 GLN 19 80.556 12.405 0.077 160 HB3 GLN 19 HB1 GLN 19 80.589 11.527 -1.451 161 HG2 GLN 19 HG2 GLN 19 78.712 10.164 -0.789 162 HG3 GLN 19 HG1 GLN 19 78.754 10.814 0.850 163 HE21 GLN 19 HE21 GLN 19 76.395 11.018 -0.771 164 HE22 GLN 19 HE22 GLN 19 76.146 12.659 -1.136 165 H ALA 20 HN ALA 20 79.511 8.635 0.541 166 HA ALA 20 HA ALA 20 80.230 7.053 -1.810 167 HB1 ALA 20 HB1 ALA 20 80.836 5.097 -0.692 168 HB2 ALA 20 HB2 ALA 20 80.059 5.591 0.813 169 HB3 ALA 20 HB3 ALA 20 81.580 6.334 0.322 170 H CYS 21 HN CYS 21 78.592 5.530 -2.404 171 HA CYS 21 HA CYS 21 76.062 5.664 -0.899 172 HB2 CYS 21 HB2 CYS 21 76.157 7.449 -2.722 173 HB3 CYS 21 HB1 CYS 21 76.119 6.117 -3.877 174 HG CYS 21 HG CYS 21 73.880 5.749 -1.908 175 H PHE 22 HN PHE 22 74.689 3.991 -1.217 176 HA PHE 22 HA PHE 22 75.452 1.778 -3.016 177 HB2 PHE 22 HB2 PHE 22 74.903 1.463 -0.044 178 HB3 PHE 22 HB1 PHE 22 75.108 0.141 -1.194 179 HD1 PHE 22 HD2 PHE 22 77.300 -0.377 -2.147 180 HD2 PHE 22 HD1 PHE 22 76.794 2.833 0.658 181 HE1 PHE 22 HE2 PHE 22 79.756 -0.282 -1.814 182 HE2 PHE 22 HE1 PHE 22 79.249 2.925 0.998 183 HZ PHE 22 HZ PHE 22 80.731 1.366 -0.240 184 H THR 23 HN THR 23 73.635 1.051 -4.037 185 HA THR 23 HA THR 23 71.051 1.174 -2.644 186 HB THR 23 HB THR 23 71.084 3.322 -3.751 187 HG1 THR 23 HG1 THR 23 69.578 2.347 -5.672 188 HG21 THR 23 HG21 THR 23 71.763 1.798 -6.282 189 HG22 THR 23 HG22 THR 23 72.887 2.810 -5.372 190 HG23 THR 23 HG23 THR 23 71.487 3.536 -6.161 191 H CYS 24 HN CYS 24 69.465 -0.218 -3.579 192 HA CYS 24 HA CYS 24 70.365 -1.916 -5.807 193 HB2 CYS 24 HB2 CYS 24 69.921 -3.965 -4.612 194 HB3 CYS 24 HB1 CYS 24 71.089 -3.011 -3.700 195 HG CYS 24 HG CYS 24 68.880 -2.184 -2.275 196 H THR 25 HN THR 25 68.814 -1.241 -7.161 197 HA THR 25 HA THR 25 66.051 -0.972 -6.442 198 HB THR 25 HB THR 25 67.170 -1.369 -9.228 199 HG1 THR 25 HG1 THR 25 68.172 0.329 -7.878 200 HG21 THR 25 HG21 THR 25 64.830 0.325 -8.358 201 HG22 THR 25 HG22 THR 25 64.640 -1.389 -8.724 202 HG23 THR 25 HG23 THR 25 65.207 -0.280 -9.971 203 H LEU 26 HN LEU 26 64.688 -2.607 -6.053 204 HA LEU 26 HA LEU 26 65.259 -5.276 -7.217 205 HB2 LEU 26 HB2 LEU 26 63.670 -4.526 -4.755 206 HB3 LEU 26 HB1 LEU 26 63.971 -6.165 -5.330 207 HG LEU 26 HG LEU 26 66.127 -4.192 -4.514 208 HD11 LEU 26 HD11 LEU 26 64.961 -4.834 -2.535 209 HD12 LEU 26 HD12 LEU 26 66.374 -5.884 -2.605 210 HD13 LEU 26 HD13 LEU 26 64.792 -6.501 -3.085 211 HD21 LEU 26 HD21 LEU 26 67.408 -6.504 -4.480 212 HD22 LEU 26 HD22 LEU 26 67.186 -5.657 -6.009 213 HD23 LEU 26 HD23 LEU 26 66.134 -7.012 -5.591 214 H SER 27 HN SER 27 63.763 -6.358 -8.325 215 HA SER 27 HA SER 27 61.530 -4.959 -9.430 216 HB2 SER 27 HB2 SER 27 62.314 -6.538 -10.933 217 HB3 SER 27 HB1 SER 27 62.694 -7.707 -9.668 218 HG SER 27 HG SER 27 60.454 -7.413 -11.150 219 H GLU 28 HN GLU 28 62.012 -6.665 -6.517 220 HA GLU 28 HA GLU 28 59.074 -6.845 -6.105 221 HB2 GLU 28 HB2 GLU 28 60.047 -9.094 -6.524 222 HB3 GLU 28 HB1 GLU 28 61.137 -8.855 -5.161 223 HG2 GLU 28 HG2 GLU 28 59.241 -10.149 -4.399 224 HG3 GLU 28 HG1 GLU 28 59.119 -8.546 -3.683 225 H ALA 29 HN ALA 29 58.312 -6.179 -4.184 226 HA ALA 29 HA ALA 29 60.045 -4.614 -2.493 227 HB1 ALA 29 HB1 ALA 29 58.070 -3.863 -1.428 228 HB2 ALA 29 HB2 ALA 29 57.157 -5.282 -1.943 229 HB3 ALA 29 HB3 ALA 29 57.626 -4.057 -3.123 230 H VAL 30 HN VAL 30 60.544 -4.973 -0.332 231 HA VAL 30 HA VAL 30 60.002 -7.690 0.712 232 HB VAL 30 HB VAL 30 62.514 -6.058 1.078 233 HG11 VAL 30 HG11 VAL 30 61.831 -8.930 1.770 234 HG12 VAL 30 HG12 VAL 30 62.000 -7.610 2.928 235 HG13 VAL 30 HG13 VAL 30 63.398 -8.161 2.009 236 HG21 VAL 30 HG21 VAL 30 63.537 -7.696 -0.455 237 HG22 VAL 30 HG22 VAL 30 62.228 -6.829 -1.255 238 HG23 VAL 30 HG23 VAL 30 61.970 -8.473 -0.675 239 HA PRO 31 HA PRO 31 58.317 -5.223 4.074 240 HB2 PRO 31 HB2 PRO 31 58.621 -7.335 6.046 241 HB3 PRO 31 HB1 PRO 31 57.140 -6.778 5.261 242 HG2 PRO 31 HG2 PRO 31 58.516 -9.219 4.821 243 HG3 PRO 31 HG1 PRO 31 57.109 -8.602 3.945 244 HD2 PRO 31 HD2 PRO 31 59.875 -8.779 3.031 245 HD3 PRO 31 HD1 PRO 31 58.418 -8.348 2.109 246 H VAL 32 HN VAL 32 59.251 -5.850 6.839 247 HA VAL 32 HA VAL 32 62.032 -4.816 6.636 248 HB VAL 32 HB VAL 32 59.984 -4.232 8.793 249 HG11 VAL 32 HG11 VAL 32 61.708 -2.465 9.378 250 HG12 VAL 32 HG12 VAL 32 62.804 -3.266 8.250 251 HG13 VAL 32 HG13 VAL 32 62.222 -4.126 9.676 252 HG21 VAL 32 HG21 VAL 32 61.032 -2.480 6.547 253 HG22 VAL 32 HG22 VAL 32 59.915 -1.973 7.815 254 HG23 VAL 32 HG23 VAL 32 59.411 -3.173 6.625 255 H GLY 33 HN GLY 33 63.377 -6.317 7.213 256 HA2 GLY 33 HA2 GLY 33 64.052 -7.478 9.438 257 HA3 GLY 33 HA1 GLY 33 62.592 -8.420 9.126 258 H GLU 34 HN GLU 34 62.671 -8.757 6.396 259 HA GLU 34 HA GLU 34 64.593 -10.846 6.120 260 HB2 GLU 34 HB2 GLU 34 62.855 -9.483 4.048 261 HB3 GLU 34 HB1 GLU 34 63.771 -10.962 3.779 262 HG2 GLU 34 HG2 GLU 34 61.630 -10.617 5.897 263 HG3 GLU 34 HG1 GLU 34 61.387 -11.410 4.342 264 H ALA 35 HN ALA 35 64.405 -7.500 5.032 265 HA ALA 35 HA ALA 35 66.861 -7.677 3.487 266 HB1 ALA 35 HB1 ALA 35 65.348 -5.183 4.272 267 HB2 ALA 35 HB2 ALA 35 64.889 -6.185 2.895 268 HB3 ALA 35 HB3 ALA 35 66.463 -5.389 2.925 269 H SER 36 HN SER 36 68.882 -7.335 4.295 270 HA SER 36 HA SER 36 69.150 -5.836 6.844 271 HB2 SER 36 HB2 SER 36 69.198 -8.295 7.260 272 HB3 SER 36 HB1 SER 36 70.567 -8.424 6.157 273 HG SER 36 HG SER 36 70.405 -6.945 8.580 274 H TRP 37 HN TRP 37 70.875 -4.483 6.942 275 HA TRP 37 HA TRP 37 72.980 -4.693 4.877 276 HB2 TRP 37 HB2 TRP 37 71.327 -2.239 5.511 277 HB3 TRP 37 HB1 TRP 37 72.849 -2.193 4.613 278 HD1 TRP 37 HD1 TRP 37 69.245 -3.429 4.357 279 HE1 TRP 37 HE1 TRP 37 68.758 -4.054 1.904 280 HE3 TRP 37 HE3 TRP 37 73.926 -2.938 2.374 281 HZ2 TRP 37 HZ2 TRP 37 70.168 -4.316 -0.564 282 HZ3 TRP 37 HZ3 TRP 37 74.325 -3.380 -0.031 283 HH2 TRP 37 HH2 TRP 37 72.452 -4.068 -1.504 284 H TYR 38 HN TYR 38 74.787 -4.955 5.977 285 HA TYR 38 HA TYR 38 75.536 -3.022 8.016 286 HB2 TYR 38 HB2 TYR 38 76.023 -4.786 9.696 287 HB3 TYR 38 HB1 TYR 38 74.302 -4.555 9.391 288 HD1 TYR 38 HD1 TYR 38 73.125 -6.133 7.781 289 HD2 TYR 38 HD2 TYR 38 77.068 -6.878 9.312 290 HE1 TYR 38 HE1 TYR 38 72.914 -8.524 7.159 291 HE2 TYR 38 HE2 TYR 38 76.858 -9.268 8.689 292 HH TYR 38 HH TYR 38 74.366 -10.847 8.280 293 H ILE 39 HN ILE 39 77.723 -3.109 8.622 294 HA ILE 39 HA ILE 39 79.470 -3.999 6.537 295 HB ILE 39 HB ILE 39 81.196 -3.465 8.594 296 HG12 ILE 39 HG12 ILE 39 78.994 -3.093 10.001 297 HG13 ILE 39 HG11 ILE 39 80.346 -1.983 10.185 298 HG21 ILE 39 HG21 ILE 39 81.401 -2.266 6.575 299 HG22 ILE 39 HG22 ILE 39 81.057 -1.027 7.781 300 HG23 ILE 39 HG23 ILE 39 79.777 -1.589 6.706 301 HD11 ILE 39 HD11 ILE 39 78.203 -1.398 8.155 302 HD12 ILE 39 HD12 ILE 39 79.288 -0.281 8.981 303 HD13 ILE 39 HD13 ILE 39 77.946 -1.012 9.856 304 H ASN 40 HN ASN 40 79.284 -6.146 6.295 305 HA ASN 40 HA ASN 40 78.935 -8.194 8.028 306 HB2 ASN 40 HB2 ASN 40 79.190 -8.673 5.713 307 HB3 ASN 40 HB1 ASN 40 80.851 -8.126 5.707 308 HD21 ASN 40 HD21 ASN 40 78.713 -10.703 6.971 309 HD22 ASN 40 HD22 ASN 40 79.955 -11.832 7.219 310 H GLY 41 HN GLY 41 79.686 -8.301 9.984 311 HA2 GLY 41 HA2 GLY 41 81.615 -9.282 11.249 312 HA3 GLY 41 HA1 GLY 41 82.593 -8.015 10.505 313 H ALA 42 HN ALA 42 79.824 -6.480 10.783 314 HA ALA 42 HA ALA 42 79.890 -5.840 13.642 315 HB1 ALA 42 HB1 ALA 42 80.658 -3.940 11.434 316 HB2 ALA 42 HB2 ALA 42 81.488 -4.251 12.959 317 HB3 ALA 42 HB3 ALA 42 79.973 -3.343 12.948 318 H ALA 43 HN ALA 43 77.775 -6.338 14.000 319 HA ALA 43 HA ALA 43 75.653 -5.888 12.185 320 HB1 ALA 43 HB1 ALA 43 75.467 -6.020 15.203 321 HB2 ALA 43 HB2 ALA 43 75.591 -7.441 14.165 322 HB3 ALA 43 HB3 ALA 43 74.189 -6.378 14.043 323 H VAL 44 HN VAL 44 75.281 -3.884 11.406 324 HA VAL 44 HA VAL 44 75.677 -1.529 13.004 325 HB VAL 44 HB VAL 44 75.874 -1.910 10.390 326 HG11 VAL 44 HG11 VAL 44 73.073 -0.791 10.552 327 HG12 VAL 44 HG12 VAL 44 73.402 -2.494 10.237 328 HG13 VAL 44 HG13 VAL 44 73.969 -1.263 9.109 329 HG21 VAL 44 HG21 VAL 44 76.394 0.192 11.641 330 HG22 VAL 44 HG22 VAL 44 74.696 0.650 11.506 331 HG23 VAL 44 HG23 VAL 44 75.685 0.497 10.056 332 H GLN 45 HN GLN 45 74.267 -0.493 14.257 333 HA GLN 45 HA GLN 45 71.550 -1.533 14.488 334 HB2 GLN 45 HB2 GLN 45 73.207 0.385 16.127 335 HB3 GLN 45 HB1 GLN 45 71.499 0.092 16.458 336 HG2 GLN 45 HG2 GLN 45 71.951 -2.316 16.715 337 HG3 GLN 45 HG1 GLN 45 73.656 -2.039 16.359 338 HE21 GLN 45 HE21 GLN 45 72.484 -3.107 18.887 339 HE22 GLN 45 HE22 GLN 45 72.973 -2.033 20.109 340 HA PRO 46 HA PRO 46 69.607 1.685 12.135 341 HB2 PRO 46 HB2 PRO 46 67.470 2.240 14.004 342 HB3 PRO 46 HB1 PRO 46 67.404 1.254 12.536 343 HG2 PRO 46 HG2 PRO 46 67.476 0.394 15.301 344 HG3 PRO 46 HG1 PRO 46 67.191 -0.567 13.845 345 HD2 PRO 46 HD2 PRO 46 69.518 -0.628 15.459 346 HD3 PRO 46 HD1 PRO 46 69.334 -1.355 13.852 347 H ASP 47 HN ASP 47 70.345 2.202 15.511 348 HA ASP 47 HA ASP 47 69.993 5.077 15.411 349 HB2 ASP 47 HB2 ASP 47 71.021 4.963 17.705 350 HB3 ASP 47 HB1 ASP 47 69.558 4.003 17.509 351 H ASP 48 HN ASP 48 72.094 3.336 13.838 352 HA ASP 48 HA ASP 48 74.668 4.191 14.607 353 HB2 ASP 48 HB2 ASP 48 75.284 3.616 12.264 354 HB3 ASP 48 HB1 ASP 48 74.343 2.353 13.054 355 H SER 49 HN SER 49 75.758 6.050 14.303 356 HA SER 49 HA SER 49 74.337 8.309 13.105 357 HB2 SER 49 HB2 SER 49 76.119 9.660 14.115 358 HB3 SER 49 HB1 SER 49 75.375 8.593 15.302 359 HG SER 49 HG SER 49 77.207 7.116 14.487 360 H ASP 50 HN ASP 50 77.547 6.729 12.773 361 HA ASP 50 HA ASP 50 78.388 8.307 10.576 362 HB2 ASP 50 HB2 ASP 50 79.226 5.594 11.603 363 HB3 ASP 50 HB1 ASP 50 79.986 6.346 10.199 364 H TRP 51 HN TRP 51 76.656 5.236 10.798 365 HA TRP 51 HA TRP 51 76.426 5.131 7.849 366 HB2 TRP 51 HB2 TRP 51 75.829 3.026 9.942 367 HB3 TRP 51 HB1 TRP 51 75.712 2.807 8.197 368 HD1 TRP 51 HD1 TRP 51 77.971 2.728 6.800 369 HE1 TRP 51 HE1 TRP 51 80.404 2.240 7.499 370 HE3 TRP 51 HE3 TRP 51 77.573 3.329 11.855 371 HZ2 TRP 51 HZ2 TRP 51 81.971 2.115 9.891 372 HZ3 TRP 51 HZ3 TRP 51 79.549 3.024 13.318 373 HH2 TRP 51 HH2 TRP 51 81.749 2.419 12.344 374 H THR 52 HN THR 52 74.406 4.811 6.869 375 HA THR 52 HA THR 52 72.007 5.242 8.549 376 HB THR 52 HB THR 52 72.387 6.654 5.908 377 HG1 THR 52 HG1 THR 52 73.298 7.276 8.431 378 HG21 THR 52 HG21 THR 52 70.442 7.876 6.554 379 HG22 THR 52 HG22 THR 52 70.528 7.270 8.208 380 HG23 THR 52 HG23 THR 52 70.083 6.183 6.893 381 H VAL 53 HN VAL 53 70.293 3.994 7.933 382 HA VAL 53 HA VAL 53 70.522 2.505 5.376 383 HB VAL 53 HB VAL 53 71.078 0.956 7.151 384 HG11 VAL 53 HG11 VAL 53 68.445 1.644 8.471 385 HG12 VAL 53 HG12 VAL 53 69.978 2.366 8.962 386 HG13 VAL 53 HG13 VAL 53 69.738 0.624 9.105 387 HG21 VAL 53 HG21 VAL 53 69.385 -0.713 6.787 388 HG22 VAL 53 HG22 VAL 53 69.469 0.253 5.315 389 HG23 VAL 53 HG23 VAL 53 68.159 0.512 6.467 390 H THR 54 HN THR 54 68.712 2.451 4.165 391 HA THR 54 HA THR 54 66.143 3.254 5.355 392 HB THR 54 HB THR 54 65.790 5.061 3.928 393 HG1 THR 54 HG1 THR 54 67.516 3.673 2.336 394 HG21 THR 54 HG21 THR 54 67.676 6.542 4.247 395 HG22 THR 54 HG22 THR 54 68.767 5.173 4.433 396 HG23 THR 54 HG23 THR 54 67.546 5.496 5.661 397 H ALA 55 HN ALA 55 64.310 2.779 4.017 398 HA ALA 55 HA ALA 55 64.715 1.214 1.597 399 HB1 ALA 55 HB1 ALA 55 64.988 -0.378 3.564 400 HB2 ALA 55 HB2 ALA 55 63.755 -0.813 2.380 401 HB3 ALA 55 HB3 ALA 55 63.284 -0.083 3.916 402 H ASP 56 HN ASP 56 63.310 2.115 0.275 403 HA ASP 56 HA ASP 56 60.523 2.553 1.189 404 HB2 ASP 56 HB2 ASP 56 61.691 4.720 1.063 405 HB3 ASP 56 HB1 ASP 56 62.134 4.380 -0.608 406 H GLY 57 HN GLY 57 59.127 1.441 -0.006 407 HA2 GLY 57 HA2 GLY 57 58.136 0.432 -1.834 408 HA3 GLY 57 HA1 GLY 57 59.291 1.281 -2.858 409 H SER 58 HN SER 58 60.428 -0.110 -4.053 410 HA SER 58 HA SER 58 61.266 -2.687 -2.837 411 HB2 SER 58 HB2 SER 58 60.746 -2.034 -5.745 412 HB3 SER 58 HB1 SER 58 61.314 -3.583 -5.128 413 HG SER 58 HG SER 58 58.999 -2.419 -4.047 414 H HIS 59 HN HIS 59 62.783 -0.399 -2.370 415 HA HIS 59 HA HIS 59 65.296 -1.226 -3.577 416 HB2 HIS 59 HB2 HIS 59 65.889 0.977 -4.417 417 HB3 HIS 59 HB1 HIS 59 64.416 0.421 -5.203 418 HD1 HIS 59 HD1 HIS 59 65.565 2.753 -2.442 419 HD2 HIS 59 HD2 HIS 59 62.193 2.064 -4.795 420 HE1 HIS 59 HE1 HIS 59 63.983 4.679 -2.006 421 H HIS 60 HN HIS 60 67.091 -0.638 -2.371 422 HA HIS 60 HA HIS 60 66.521 0.636 0.255 423 HB2 HIS 60 HB2 HIS 60 68.593 -1.431 -0.516 424 HB3 HIS 60 HB1 HIS 60 68.515 -0.635 1.055 425 HD1 HIS 60 HD1 HIS 60 66.437 -1.177 2.570 426 HD2 HIS 60 HD2 HIS 60 66.655 -3.445 -0.919 427 HE1 HIS 60 HE1 HIS 60 64.816 -3.100 2.863 428 H ALA 61 HN ALA 61 68.525 1.731 1.220 429 HA ALA 61 HA ALA 61 70.483 2.696 -0.672 430 HB1 ALA 61 HB1 ALA 61 68.630 4.755 0.519 431 HB2 ALA 61 HB2 ALA 61 68.389 4.078 -1.093 432 HB3 ALA 61 HB3 ALA 61 69.857 4.982 -0.727 433 H LEU 62 HN LEU 62 72.131 2.177 0.675 434 HA LEU 62 HA LEU 62 72.177 3.367 3.394 435 HB2 LEU 62 HB2 LEU 62 72.384 0.948 3.422 436 HB3 LEU 62 HB1 LEU 62 73.688 1.008 2.243 437 HG LEU 62 HG LEU 62 74.151 2.678 4.674 438 HD11 LEU 62 HD11 LEU 62 73.029 0.669 5.647 439 HD12 LEU 62 HD12 LEU 62 74.719 0.816 6.128 440 HD13 LEU 62 HD13 LEU 62 74.256 -0.344 4.883 441 HD21 LEU 62 HD21 LEU 62 75.864 0.546 3.358 442 HD22 LEU 62 HD22 LEU 62 76.403 1.808 4.464 443 HD23 LEU 62 HD23 LEU 62 75.844 2.232 2.849 444 H LEU 63 HN LEU 63 73.618 4.983 3.793 445 HA LEU 63 HA LEU 63 75.778 5.418 1.782 446 HB2 LEU 63 HB2 LEU 63 75.659 7.869 2.529 447 HB3 LEU 63 HB1 LEU 63 74.350 7.265 1.515 448 HG LEU 63 HG LEU 63 73.044 6.816 3.667 449 HD11 LEU 63 HD11 LEU 63 75.433 8.312 4.762 450 HD12 LEU 63 HD12 LEU 63 74.650 6.869 5.398 451 HD13 LEU 63 HD13 LEU 63 73.861 8.434 5.545 452 HD21 LEU 63 HD21 LEU 63 72.446 8.692 2.291 453 HD22 LEU 63 HD22 LEU 63 73.855 9.608 2.822 454 HD23 LEU 63 HD23 LEU 63 72.533 9.295 3.946 455 H LEU 64 HN LEU 64 77.455 6.920 2.622 456 HA LEU 64 HA LEU 64 78.217 6.487 5.421 457 HB2 LEU 64 HB2 LEU 64 79.380 4.705 4.042 458 HB3 LEU 64 HB1 LEU 64 80.128 6.006 3.119 459 HG LEU 64 HG LEU 64 81.150 6.892 5.182 460 HD11 LEU 64 HD11 LEU 64 81.136 5.065 7.124 461 HD12 LEU 64 HD12 LEU 64 79.575 4.649 6.415 462 HD13 LEU 64 HD13 LEU 64 79.865 6.280 7.019 463 HD21 LEU 64 HD21 LEU 64 82.770 5.012 5.492 464 HD22 LEU 64 HD22 LEU 64 82.423 5.338 3.795 465 HD23 LEU 64 HD23 LEU 64 81.672 3.961 4.598 466 H ARG 65 HN ARG 65 78.480 8.555 6.111 467 HA ARG 65 HA ARG 65 78.822 10.660 4.225 468 HB2 ARG 65 HB2 ARG 65 77.782 10.800 6.585 469 HB3 ARG 65 HB1 ARG 65 79.441 10.878 7.181 470 HG2 ARG 65 HG2 ARG 65 79.871 12.881 5.853 471 HG3 ARG 65 HG1 ARG 65 78.281 12.761 5.104 472 HD2 ARG 65 HD2 ARG 65 78.204 14.417 6.892 473 HD3 ARG 65 HD1 ARG 65 77.229 13.020 7.334 474 HE ARG 65 HE ARG 65 78.791 12.492 9.007 475 HH11 ARG 65 HH11 ARG 65 78.955 15.623 8.932 476 HH12 ARG 65 HH12 ARG 65 80.665 15.835 9.111 477 HH21 ARG 65 HH21 ARG 65 81.418 12.534 8.387 478 HH22 ARG 65 HH22 ARG 65 82.057 14.088 8.801 479 H SER 66 HN SER 66 80.966 11.625 6.453 480 HA SER 66 HA SER 66 83.225 11.194 4.736 481 HB2 SER 66 HB2 SER 66 84.468 12.512 6.319 482 HB3 SER 66 HB1 SER 66 82.881 13.257 6.136 483 HG SER 66 HG SER 66 82.463 11.620 8.014 484 H ALA 67 HN ALA 67 84.107 9.212 4.628 485 HA ALA 67 HA ALA 67 84.014 7.303 6.717 486 HB1 ALA 67 HB1 ALA 67 84.255 6.702 4.334 487 HB2 ALA 67 HB2 ALA 67 85.529 5.995 5.328 488 HB3 ALA 67 HB3 ALA 67 85.869 7.414 4.335 489 H GLN 68 HN GLN 68 85.519 6.674 8.214 490 HA GLN 68 HA GLN 68 87.973 8.316 8.463 491 HB2 GLN 68 HB2 GLN 68 85.944 7.507 10.538 492 HB3 GLN 68 HB1 GLN 68 87.615 7.788 11.014 493 HG2 GLN 68 HG2 GLN 68 86.526 9.871 11.330 494 HG3 GLN 68 HG1 GLN 68 87.406 10.058 9.817 495 HE21 GLN 68 HE21 GLN 68 84.310 8.332 10.412 496 HE22 GLN 68 HE22 GLN 68 83.404 9.284 9.337 497 HA PRO 69 HA PRO 69 90.074 4.404 8.281 498 HB2 PRO 69 HB2 PRO 69 92.064 5.058 10.282 499 HB3 PRO 69 HB1 PRO 69 92.245 5.061 8.525 500 HG2 PRO 69 HG2 PRO 69 91.944 7.314 10.330 501 HG3 PRO 69 HG1 PRO 69 92.375 7.311 8.616 502 HD2 PRO 69 HD2 PRO 69 89.925 8.185 9.697 503 HD3 PRO 69 HD1 PRO 69 90.236 7.845 7.983 504 H HIS 70 HN HIS 70 88.277 3.311 9.266 505 HA HIS 70 HA HIS 70 88.838 1.769 11.509 506 HB2 HIS 70 HB2 HIS 70 87.590 4.405 12.121 507 HB3 HIS 70 HB1 HIS 70 86.839 3.023 12.911 508 HD1 HIS 70 HD1 HIS 70 89.437 1.336 13.354 509 HD2 HIS 70 HD2 HIS 70 89.052 5.377 14.298 510 HE1 HIS 70 HE1 HIS 70 91.171 1.822 15.133 511 H HIS 71 HN HIS 71 86.420 3.368 9.545 512 HA HIS 71 HA HIS 71 84.290 1.543 10.064 513 HB2 HIS 71 HB2 HIS 71 84.791 3.470 7.787 514 HB3 HIS 71 HB1 HIS 71 83.290 2.572 8.011 515 HD1 HIS 71 HD1 HIS 71 83.684 2.890 11.282 516 HD2 HIS 71 HD2 HIS 71 83.317 5.897 8.422 517 HE1 HIS 71 HE1 HIS 71 82.863 4.948 12.507 518 H ALA 72 HN ALA 72 87.180 1.104 8.510 519 HA ALA 72 HA ALA 72 86.615 -0.305 6.180 520 HB1 ALA 72 HB1 ALA 72 88.895 0.245 6.758 521 HB2 ALA 72 HB2 ALA 72 88.762 -1.509 6.616 522 HB3 ALA 72 HB3 ALA 72 88.809 -0.754 8.210 523 H GLY 73 HN GLY 73 86.209 -2.446 5.700 524 HA2 GLY 73 HA2 GLY 73 86.228 -4.700 7.213 525 HA3 GLY 73 HA1 GLY 73 84.725 -3.921 7.704 526 H GLU 74 HN GLU 74 83.862 -5.998 6.772 527 HA GLU 74 HA GLU 74 83.669 -5.959 3.826 528 HB2 GLU 74 HB2 GLU 74 83.121 -8.091 5.887 529 HB3 GLU 74 HB1 GLU 74 82.610 -8.246 4.202 530 HG2 GLU 74 HG2 GLU 74 84.911 -8.003 3.446 531 HG3 GLU 74 HG1 GLU 74 85.456 -7.712 5.099 532 H VAL 75 HN VAL 75 81.529 -6.530 2.917 533 HA VAL 75 HA VAL 75 79.291 -5.292 4.432 534 HB VAL 75 HB VAL 75 80.207 -4.830 1.596 535 HG11 VAL 75 HG11 VAL 75 77.478 -4.432 2.803 536 HG12 VAL 75 HG12 VAL 75 77.907 -5.066 1.211 537 HG13 VAL 75 HG13 VAL 75 78.057 -3.340 1.542 538 HG21 VAL 75 HG21 VAL 75 80.352 -2.548 2.251 539 HG22 VAL 75 HG22 VAL 75 81.061 -3.461 3.582 540 HG23 VAL 75 HG23 VAL 75 79.420 -2.833 3.721 541 H THR 76 HN THR 76 77.485 -6.524 4.531 542 HA THR 76 HA THR 76 77.044 -8.542 2.403 543 HB THR 76 HB THR 76 76.910 -9.066 5.379 544 HG1 THR 76 HG1 THR 76 78.411 -10.005 3.188 545 HG21 THR 76 HG21 THR 76 76.166 -11.383 4.536 546 HG22 THR 76 HG22 THR 76 75.763 -10.570 3.024 547 HG23 THR 76 HG23 THR 76 74.953 -10.103 4.518 548 H PHE 77 HN PHE 77 75.048 -8.775 1.734 549 HA PHE 77 HA PHE 77 72.839 -7.422 3.152 550 HB2 PHE 77 HB2 PHE 77 73.258 -5.842 1.500 551 HB3 PHE 77 HB1 PHE 77 73.801 -7.038 0.338 552 HD1 PHE 77 HD2 PHE 77 70.654 -6.987 2.368 553 HD2 PHE 77 HD1 PHE 77 72.413 -6.697 -1.532 554 HE1 PHE 77 HE2 PHE 77 68.396 -6.970 1.358 555 HE2 PHE 77 HE1 PHE 77 70.154 -6.685 -2.551 556 HZ PHE 77 HZ PHE 77 68.144 -6.819 -1.106 557 H ALA 78 HN ALA 78 71.024 -8.600 3.278 558 HA ALA 78 HA ALA 78 70.761 -11.004 1.570 559 HB1 ALA 78 HB1 ALA 78 70.134 -11.019 4.522 560 HB2 ALA 78 HB2 ALA 78 71.702 -11.517 3.887 561 HB3 ALA 78 HB3 ALA 78 70.242 -12.394 3.421 562 H CYS 79 HN CYS 79 68.746 -11.413 0.865 563 HA CYS 79 HA CYS 79 66.428 -10.192 2.138 564 HB2 CYS 79 HB2 CYS 79 67.737 -8.934 -0.074 565 HB3 CYS 79 HB1 CYS 79 66.211 -9.565 -0.679 566 HG CYS 79 HG CYS 79 64.986 -7.853 0.639 567 H ARG 80 HN ARG 80 64.764 -10.626 -0.226 568 HA ARG 80 HA ARG 80 64.021 -13.298 0.186 569 HB2 ARG 80 HB2 ARG 80 63.519 -11.509 -2.205 570 HB3 ARG 80 HB1 ARG 80 62.682 -13.027 -1.889 571 HG2 ARG 80 HG2 ARG 80 61.795 -12.148 0.210 572 HG3 ARG 80 HG1 ARG 80 62.706 -10.652 -0.003 573 HD2 ARG 80 HD2 ARG 80 60.409 -10.284 -0.723 574 HD3 ARG 80 HD1 ARG 80 61.469 -10.248 -2.129 575 HE ARG 80 HE ARG 80 60.531 -12.278 -2.858 576 HH11 ARG 80 HH21 ARG 80 58.077 -10.912 -1.511 577 HH12 ARG 80 HH22 ARG 80 57.375 -12.267 -0.695 578 HH21 ARG 80 HH11 ARG 80 60.194 -14.259 -1.016 579 HH22 ARG 80 HH12 ARG 80 58.575 -14.161 -0.411 580 H ASP 81 HN ASP 81 65.852 -14.631 0.031 581 HA ASP 81 HA ASP 81 67.483 -15.899 -0.992 582 HB2 ASP 81 HB2 ASP 81 65.318 -16.705 -2.068 583 HB3 ASP 81 HB1 ASP 81 65.730 -15.678 -3.442 584 H ALA 82 HN ALA 82 67.300 -12.833 -1.428 585 HA ALA 82 HA ALA 82 68.881 -12.505 -3.870 586 HB1 ALA 82 HB1 ALA 82 67.092 -10.873 -3.253 587 HB2 ALA 82 HB2 ALA 82 68.680 -10.129 -3.421 588 HB3 ALA 82 HB3 ALA 82 68.028 -10.451 -1.822 589 H VAL 83 HN VAL 83 70.839 -13.460 -3.432 590 HA VAL 83 HA VAL 83 72.280 -12.886 -0.986 591 HB VAL 83 HB VAL 83 72.323 -15.095 -2.173 592 HG11 VAL 83 HG11 VAL 83 74.232 -13.759 -4.100 593 HG12 VAL 83 HG12 VAL 83 72.514 -13.922 -4.469 594 HG13 VAL 83 HG13 VAL 83 73.503 -15.361 -4.213 595 HG21 VAL 83 HG21 VAL 83 74.109 -14.266 -0.559 596 HG22 VAL 83 HG22 VAL 83 75.062 -13.807 -1.972 597 HG23 VAL 83 HG23 VAL 83 74.645 -15.499 -1.698 598 H ALA 84 HN ALA 84 73.884 -11.455 -0.689 599 HA ALA 84 HA ALA 84 75.184 -10.168 -2.980 600 HB1 ALA 84 HB1 ALA 84 73.569 -8.513 -2.782 601 HB2 ALA 84 HB2 ALA 84 74.750 -7.918 -1.617 602 HB3 ALA 84 HB3 ALA 84 73.330 -8.810 -1.063 603 H SER 85 HN SER 85 77.113 -9.060 -2.420 604 HA SER 85 HA SER 85 78.152 -9.189 0.281 605 HB2 SER 85 HB2 SER 85 80.148 -10.551 -0.396 606 HB3 SER 85 HB1 SER 85 78.642 -11.464 -0.363 607 HG SER 85 HG SER 85 78.517 -10.916 -2.676 608 H ALA 86 HN ALA 86 80.584 -8.458 0.184 609 HA ALA 86 HA ALA 86 81.641 -7.120 -2.005 610 HB1 ALA 86 HB1 ALA 86 79.429 -5.648 -0.871 611 HB2 ALA 86 HB2 ALA 86 80.459 -5.194 -2.224 612 HB3 ALA 86 HB3 ALA 86 80.908 -4.732 -0.591 613 H ARG 87 HN ARG 87 83.231 -5.303 -1.240 614 HA ARG 87 HA ARG 87 84.313 -5.927 1.440 615 HB2 ARG 87 HB2 ARG 87 85.838 -5.987 -1.175 616 HB3 ARG 87 HB1 ARG 87 86.604 -5.952 0.412 617 HG2 ARG 87 HG2 ARG 87 85.484 -8.048 1.026 618 HG3 ARG 87 HG1 ARG 87 84.654 -8.075 -0.533 619 HD2 ARG 87 HD2 ARG 87 87.666 -8.076 -0.223 620 HD3 ARG 87 HD1 ARG 87 86.702 -9.530 -0.456 621 HE ARG 87 HE ARG 87 85.993 -7.816 -2.515 622 HH11 ARG 87 HH21 ARG 87 89.152 -8.290 -1.389 623 HH12 ARG 87 HH22 ARG 87 89.793 -8.840 -2.903 624 HH21 ARG 87 HH11 ARG 87 86.696 -8.976 -4.464 625 HH22 ARG 87 HH12 ARG 87 88.402 -9.229 -4.645 626 H LEU 88 HN LEU 88 84.161 -4.026 2.426 627 HA LEU 88 HA LEU 88 84.653 -1.523 0.979 628 HB2 LEU 88 HB2 LEU 88 82.680 -1.731 2.482 629 HB3 LEU 88 HB1 LEU 88 83.772 -1.984 3.838 630 HG LEU 88 HG LEU 88 84.808 0.248 3.371 631 HD11 LEU 88 HD11 LEU 88 82.754 0.205 1.169 632 HD12 LEU 88 HD12 LEU 88 84.423 0.773 1.128 633 HD13 LEU 88 HD13 LEU 88 83.186 1.747 1.911 634 HD21 LEU 88 HD21 LEU 88 81.847 0.024 3.951 635 HD22 LEU 88 HD22 LEU 88 82.700 1.565 4.056 636 HD23 LEU 88 HD23 LEU 88 83.174 0.222 5.096 637 H THR 89 HN THR 89 86.520 -0.422 1.135 638 HA THR 89 HA THR 89 88.329 -0.982 3.404 639 HB THR 89 HB THR 89 89.250 -2.361 1.709 640 HG1 THR 89 HG1 THR 89 90.427 -0.003 2.357 641 HG21 THR 89 HG21 THR 89 87.978 -1.545 -0.197 642 HG22 THR 89 HG22 THR 89 89.700 -1.465 -0.583 643 HG23 THR 89 HG23 THR 89 88.826 0.002 -0.140 644 H VAL 90 HN VAL 90 89.303 0.754 4.234 645 HA VAL 90 HA VAL 90 88.711 3.370 3.020 646 HB VAL 90 HB VAL 90 89.817 2.640 5.742 647 HG11 VAL 90 HG11 VAL 90 88.978 5.259 4.484 648 HG12 VAL 90 HG12 VAL 90 90.543 4.854 5.187 649 HG13 VAL 90 HG13 VAL 90 89.131 5.044 6.227 650 HG21 VAL 90 HG21 VAL 90 87.052 3.557 4.900 651 HG22 VAL 90 HG22 VAL 90 87.575 3.225 6.551 652 HG23 VAL 90 HG23 VAL 90 87.476 1.912 5.376 653 H LEU 91 HN LEU 91 90.201 4.263 1.764 654 HA LEU 91 HA LEU 91 92.852 3.336 1.477 655 HB2 LEU 91 HB2 LEU 91 91.335 4.846 -0.076 656 HB3 LEU 91 HB1 LEU 91 92.085 6.169 0.804 657 HG LEU 91 HG LEU 91 93.397 5.801 -1.171 658 HD11 LEU 91 HD11 LEU 91 94.585 6.108 1.073 659 HD12 LEU 91 HD12 LEU 91 95.553 5.472 -0.255 660 HD13 LEU 91 HD13 LEU 91 94.947 4.383 0.991 661 HD21 LEU 91 HD21 LEU 91 92.527 3.296 -1.299 662 HD22 LEU 91 HD22 LEU 91 94.036 2.949 -0.454 663 HD23 LEU 91 HD23 LEU 91 94.068 3.747 -2.024 664 H GLY 92 HN GLY 92 94.512 3.555 2.843 665 HA2 GLY 92 HA2 GLY 92 95.539 5.868 3.898 666 HA3 GLY 92 HA1 GLY 92 94.394 5.312 5.113 667 H LEU 93 HN LEU 93 97.450 4.758 3.589 668 HA LEU 93 HA LEU 93 97.976 2.363 5.232 669 HB2 LEU 93 HB2 LEU 93 99.145 3.491 2.714 670 HB3 LEU 93 HB1 LEU 93 100.140 2.446 3.720 671 HG LEU 93 HG LEU 93 98.867 1.263 1.880 672 HD11 LEU 93 HD11 LEU 93 99.583 0.282 4.247 673 HD12 LEU 93 HD12 LEU 93 98.591 -0.659 3.140 674 HD13 LEU 93 HD13 LEU 93 97.839 0.183 4.489 675 HD21 LEU 93 HD21 LEU 93 96.798 2.731 2.238 676 HD22 LEU 93 HD22 LEU 93 96.436 1.705 3.626 677 HD23 LEU 93 HD23 LEU 93 96.505 1.008 2.010 678 HA PRO 94 HA PRO 94 100.221 5.518 7.651 679 HB2 PRO 94 HB2 PRO 94 100.858 3.538 9.670 680 HB3 PRO 94 HB1 PRO 94 99.722 4.890 9.782 681 HG2 PRO 94 HG2 PRO 94 99.081 2.145 9.638 682 HG3 PRO 94 HG1 PRO 94 97.960 3.509 9.541 683 HD2 PRO 94 HD2 PRO 94 98.899 1.746 7.382 684 HD3 PRO 94 HD1 PRO 94 97.546 2.898 7.388 685 H ASP 95 HN ASP 95 102.431 4.685 9.217 686 HA ASP 95 HA ASP 95 104.400 4.290 7.131 687 HB2 ASP 95 HB2 ASP 95 104.871 5.892 8.881 688 HB3 ASP 95 HB1 ASP 95 104.629 4.669 10.124 689 H GLY 96 HN GLY 96 104.878 2.321 6.415 690 HA2 GLY 96 HA2 GLY 96 105.274 0.122 8.352 691 HA3 GLY 96 HA1 GLY 96 104.239 -0.135 6.949 692 H LEU 97 HN LEU 97 107.239 1.735 7.118 693 HA LEU 97 HA LEU 97 108.321 0.229 4.860 694 HB2 LEU 97 HB2 LEU 97 109.105 2.756 6.311 695 HB3 LEU 97 HB1 LEU 97 110.220 1.974 5.187 696 HG LEU 97 HG LEU 97 108.444 2.050 3.441 697 HD11 LEU 97 HD11 LEU 97 106.419 2.117 4.656 698 HD12 LEU 97 HD12 LEU 97 106.555 3.733 3.964 699 HD13 LEU 97 HD13 LEU 97 106.964 3.463 5.658 700 HD21 LEU 97 HD21 LEU 97 108.785 4.345 2.887 701 HD22 LEU 97 HD22 LEU 97 110.201 3.884 3.830 702 HD23 LEU 97 HD23 LEU 97 108.904 4.812 4.583 703 H GLU 98 HN GLU 98 108.191 -0.302 8.023 704 HA GLU 98 HA GLU 98 110.888 -0.874 8.742 705 HB2 GLU 98 HB2 GLU 98 109.897 -2.085 10.638 706 HB3 GLU 98 HB1 GLU 98 109.119 -0.518 10.418 707 HG2 GLU 98 HG2 GLU 98 107.295 -1.629 9.141 708 HG3 GLU 98 HG1 GLU 98 108.051 -3.191 9.458 709 H HIS 99 HN HIS 99 108.312 -2.714 7.216 710 HA HIS 99 HA HIS 99 108.256 -4.784 6.242 711 HB2 HIS 99 HB2 HIS 99 111.187 -4.116 5.942 712 HB3 HIS 99 HB1 HIS 99 110.440 -5.537 5.213 713 HD1 HIS 99 HD1 HIS 99 108.205 -4.918 3.699 714 HD2 HIS 99 HD2 HIS 99 110.956 -1.855 4.354 715 HE1 HIS 99 HE1 HIS 99 107.735 -3.147 1.953 716 H HIS 100 HN HIS 100 109.668 -7.013 6.262 717 HA HIS 100 HA HIS 100 110.044 -7.670 9.137 718 HB2 HIS 100 HB2 HIS 100 109.094 -9.453 6.883 719 HB3 HIS 100 HB1 HIS 100 109.276 -9.923 8.573 720 HD1 HIS 100 HD1 HIS 100 107.742 -8.479 10.313 721 HD2 HIS 100 HD2 HIS 100 106.626 -8.331 6.299 722 HE1 HIS 100 HE1 HIS 100 105.352 -7.637 10.265 723 H HIS 101 HN HIS 101 111.309 -9.851 9.296 724 HA HIS 101 HA HIS 101 113.385 -10.834 9.184 725 HB2 HIS 101 HB2 HIS 101 112.934 -10.210 6.257 726 HB3 HIS 101 HB1 HIS 101 114.260 -11.202 6.857 727 HD1 HIS 101 HD1 HIS 101 112.586 -12.807 5.126 728 HD2 HIS 101 HD2 HIS 101 111.446 -12.166 9.087 729 HE1 HIS 101 HE1 HIS 101 110.953 -14.654 5.709 730 H HIS 102 HN HIS 102 114.367 -9.129 10.408 731 HA HIS 102 HA HIS 102 115.418 -6.760 9.326 732 HB2 HIS 102 HB2 HIS 102 116.280 -8.411 11.705 733 HB3 HIS 102 HB1 HIS 102 116.969 -6.836 11.318 734 HD1 HIS 102 HD1 HIS 102 114.889 -4.954 10.834 735 HD2 HIS 102 HD2 HIS 102 114.150 -8.135 13.426 736 HE1 HIS 102 HE1 HIS 102 112.908 -4.274 12.258 737 H HIS 103 HN HIS 103 116.883 -9.971 9.721 738 HA HIS 103 HA HIS 103 118.949 -9.213 7.744 739 HB2 HIS 103 HB2 HIS 103 120.597 -10.528 9.119 740 HB3 HIS 103 HB1 HIS 103 120.071 -9.015 9.859 741 HD1 HIS 103 HD1 HIS 103 119.525 -12.754 10.082 742 HD2 HIS 103 HD2 HIS 103 118.648 -9.316 12.269 743 HE1 HIS 103 HE1 HIS 103 118.606 -13.534 12.310 744 H HIS 104 HN HIS 104 117.275 -11.807 9.493 745 HA HIS 104 HA HIS 104 116.991 -13.363 7.103 746 HB2 HIS 104 HB2 HIS 104 119.365 -13.837 7.650 747 HB3 HIS 104 HB1 HIS 104 118.861 -14.430 9.231 748 HD1 HIS 104 HD1 HIS 104 118.243 -16.852 9.351 749 HD2 HIS 104 HD2 HIS 104 118.093 -15.410 5.441 750 HE1 HIS 104 HE1 HIS 104 117.754 -18.846 7.868 Start of MODEL 9 1 H1 TRP 1 HT1 TRP 1 59.222 -13.885 -13.863 2 H2 TRP 1 HT2 TRP 1 60.559 -14.788 -14.401 3 H3 TRP 1 HT3 TRP 1 60.707 -13.112 -14.149 4 HA TRP 1 HA TRP 1 60.019 -14.992 -11.963 5 HB2 TRP 1 HB2 TRP 1 62.734 -14.025 -12.911 6 HB3 TRP 1 HB1 TRP 1 62.459 -14.769 -11.339 7 HD1 TRP 1 HD1 TRP 1 63.163 -15.584 -14.883 8 HE1 TRP 1 HE1 TRP 1 63.042 -18.125 -15.277 9 HE3 TRP 1 HE3 TRP 1 60.968 -17.077 -10.502 10 HZ2 TRP 1 HZ2 TRP 1 62.143 -20.478 -13.935 11 HZ3 TRP 1 HZ3 TRP 1 60.495 -19.479 -10.097 12 HH2 TRP 1 HH2 TRP 1 61.079 -21.178 -11.807 13 H ARG 2 HN ARG 2 59.708 -13.898 -10.034 14 HA ARG 2 HA ARG 2 59.772 -10.954 -10.160 15 HB2 ARG 2 HB2 ARG 2 58.416 -12.837 -8.222 16 HB3 ARG 2 HB1 ARG 2 58.364 -11.078 -8.118 17 HG2 ARG 2 HG2 ARG 2 57.335 -10.956 -10.339 18 HG3 ARG 2 HG1 ARG 2 57.434 -12.707 -10.493 19 HD2 ARG 2 HD2 ARG 2 55.185 -12.102 -9.789 20 HD3 ARG 2 HD1 ARG 2 55.998 -12.929 -8.461 21 HE ARG 2 HE ARG 2 56.427 -10.143 -8.226 22 HH11 ARG 2 HH11 ARG 2 55.409 -12.052 -6.054 23 HH12 ARG 2 HH12 ARG 2 53.844 -11.382 -5.727 24 HH21 ARG 2 HH21 ARG 2 53.778 -9.465 -8.622 25 HH22 ARG 2 HH22 ARG 2 52.914 -9.914 -7.187 26 H LEU 3 HN LEU 3 59.986 -10.130 -7.656 27 HA LEU 3 HA LEU 3 61.757 -9.338 -6.366 28 HB2 LEU 3 HB2 LEU 3 62.382 -10.943 -4.611 29 HB3 LEU 3 HB1 LEU 3 60.640 -10.898 -4.878 30 HG LEU 3 HG LEU 3 62.334 -12.896 -6.354 31 HD11 LEU 3 HD11 LEU 3 61.230 -13.324 -3.574 32 HD12 LEU 3 HD12 LEU 3 62.938 -13.110 -3.961 33 HD13 LEU 3 HD13 LEU 3 62.066 -14.524 -4.559 34 HD21 LEU 3 HD21 LEU 3 59.737 -13.809 -5.360 35 HD22 LEU 3 HD22 LEU 3 60.333 -13.730 -7.012 36 HD23 LEU 3 HD23 LEU 3 59.561 -12.324 -6.293 37 H GLU 4 HN GLU 4 62.579 -10.176 -8.988 38 HA GLU 4 HA GLU 4 65.092 -11.561 -8.736 39 HB2 GLU 4 HB2 GLU 4 65.357 -10.803 -11.148 40 HB3 GLU 4 HB1 GLU 4 63.982 -11.851 -10.817 41 HG2 GLU 4 HG2 GLU 4 62.469 -9.955 -10.791 42 HG3 GLU 4 HG1 GLU 4 63.820 -8.829 -10.935 43 H ILE 5 HN ILE 5 67.148 -10.648 -8.793 44 HA ILE 5 HA ILE 5 67.308 -7.888 -7.901 45 HB ILE 5 HB ILE 5 69.490 -9.944 -8.383 46 HG12 ILE 5 HG12 ILE 5 68.409 -8.879 -5.766 47 HG13 ILE 5 HG11 ILE 5 67.801 -10.361 -6.504 48 HG21 ILE 5 HG21 ILE 5 69.477 -7.136 -7.250 49 HG22 ILE 5 HG22 ILE 5 70.447 -7.764 -8.582 50 HG23 ILE 5 HG23 ILE 5 70.782 -8.277 -6.933 51 HD11 ILE 5 HD11 ILE 5 70.752 -9.935 -5.995 52 HD12 ILE 5 HD12 ILE 5 69.900 -11.447 -6.300 53 HD13 ILE 5 HD13 ILE 5 69.686 -10.611 -4.763 54 H LEU 6 HN LEU 6 67.416 -6.245 -9.347 55 HA LEU 6 HA LEU 6 68.022 -6.808 -12.114 56 HB2 LEU 6 HB2 LEU 6 67.572 -4.109 -10.857 57 HB3 LEU 6 HB1 LEU 6 67.275 -4.601 -12.520 58 HG LEU 6 HG LEU 6 65.736 -5.429 -10.054 59 HD11 LEU 6 HD11 LEU 6 63.891 -4.361 -11.112 60 HD12 LEU 6 HD12 LEU 6 64.727 -4.285 -12.663 61 HD13 LEU 6 HD13 LEU 6 65.245 -3.254 -11.332 62 HD21 LEU 6 HD21 LEU 6 65.829 -6.639 -12.822 63 HD22 LEU 6 HD22 LEU 6 64.383 -6.759 -11.829 64 HD23 LEU 6 HD23 LEU 6 65.900 -7.458 -11.261 65 H GLU 7 HN GLU 7 69.338 -4.271 -9.916 66 HA GLU 7 HA GLU 7 72.025 -4.945 -10.948 67 HB2 GLU 7 HB2 GLU 7 70.745 -2.201 -11.010 68 HB3 GLU 7 HB1 GLU 7 72.472 -2.490 -11.225 69 HG2 GLU 7 HG2 GLU 7 71.978 -3.966 -13.148 70 HG3 GLU 7 HG1 GLU 7 70.254 -3.639 -12.945 71 H LEU 8 HN LEU 8 73.521 -4.943 -9.424 72 HA LEU 8 HA LEU 8 72.881 -3.706 -6.801 73 HB2 LEU 8 HB2 LEU 8 74.573 -5.474 -5.953 74 HB3 LEU 8 HB1 LEU 8 72.951 -6.014 -6.367 75 HG LEU 8 HG LEU 8 75.004 -6.059 -8.561 76 HD11 LEU 8 HD11 LEU 8 75.890 -8.212 -7.863 77 HD12 LEU 8 HD12 LEU 8 74.877 -8.203 -6.420 78 HD13 LEU 8 HD13 LEU 8 76.183 -7.033 -6.588 79 HD21 LEU 8 HD21 LEU 8 73.727 -7.893 -9.369 80 HD22 LEU 8 HD22 LEU 8 72.529 -6.761 -8.747 81 HD23 LEU 8 HD23 LEU 8 72.978 -8.177 -7.799 82 H LEU 9 HN LEU 9 74.100 -2.007 -6.351 83 HA LEU 9 HA LEU 9 76.643 -1.607 -7.783 84 HB2 LEU 9 HB2 LEU 9 74.874 0.154 -6.084 85 HB3 LEU 9 HB1 LEU 9 76.502 0.646 -6.551 86 HG LEU 9 HG LEU 9 75.887 0.272 -8.949 87 HD11 LEU 9 HD11 LEU 9 73.300 0.235 -9.310 88 HD12 LEU 9 HD12 LEU 9 73.240 -0.403 -7.667 89 HD13 LEU 9 HD13 LEU 9 74.124 -1.276 -8.924 90 HD21 LEU 9 HD21 LEU 9 75.722 2.521 -7.884 91 HD22 LEU 9 HD22 LEU 9 74.037 2.183 -7.488 92 HD23 LEU 9 HD23 LEU 9 74.541 2.299 -9.172 93 H LYS 10 HN LYS 10 78.216 -2.733 -6.825 94 HA LYS 10 HA LYS 10 78.689 -2.295 -3.941 95 HB2 LYS 10 HB2 LYS 10 79.291 -4.931 -5.273 96 HB3 LYS 10 HB1 LYS 10 79.209 -4.571 -3.559 97 HG2 LYS 10 HG2 LYS 10 76.679 -4.217 -5.155 98 HG3 LYS 10 HG1 LYS 10 77.221 -5.848 -4.862 99 HD2 LYS 10 HD2 LYS 10 75.837 -5.489 -3.029 100 HD3 LYS 10 HD1 LYS 10 77.391 -5.061 -2.356 101 HE2 LYS 10 HE2 LYS 10 76.946 -2.715 -2.605 102 HE3 LYS 10 HE1 LYS 10 75.478 -3.050 -3.533 103 HZ1 LYS 10 HZ1 LYS 10 74.359 -3.752 -1.684 104 HZ2 LYS 10 HZ2 LYS 10 75.346 -2.550 -0.998 105 HZ3 LYS 10 HZ3 LYS 10 75.766 -4.189 -0.844 106 H ASN 11 HN ASN 11 81.022 -3.615 -3.655 107 HA ASN 11 HA ASN 11 83.272 -3.326 -3.920 108 HB2 ASN 11 HB2 ASN 11 82.624 -4.445 -6.154 109 HB3 ASN 11 HB1 ASN 11 82.737 -2.832 -6.851 110 HD21 ASN 11 HD21 ASN 11 84.535 -5.595 -6.456 111 HD22 ASN 11 HD22 ASN 11 86.092 -4.916 -6.430 112 H ALA 12 HN ALA 12 84.014 -1.567 -3.010 113 HA ALA 12 HA ALA 12 84.472 0.807 -4.507 114 HB1 ALA 12 HB1 ALA 12 83.014 2.360 -3.262 115 HB2 ALA 12 HB2 ALA 12 82.270 0.987 -2.449 116 HB3 ALA 12 HB3 ALA 12 82.087 1.183 -4.191 117 H ALA 13 HN ALA 13 85.790 2.218 -3.572 118 HA ALA 13 HA ALA 13 86.784 1.630 -0.837 119 HB1 ALA 13 HB1 ALA 13 88.477 0.918 -2.379 120 HB2 ALA 13 HB2 ALA 13 88.991 2.483 -1.755 121 HB3 ALA 13 HB3 ALA 13 88.275 2.367 -3.363 122 H VAL 14 HN VAL 14 86.720 3.394 0.525 123 HA VAL 14 HA VAL 14 86.205 6.031 -0.750 124 HB VAL 14 HB VAL 14 84.856 6.553 1.218 125 HG11 VAL 14 HG11 VAL 14 83.107 4.635 0.797 126 HG12 VAL 14 HG12 VAL 14 84.230 4.123 -0.451 127 HG13 VAL 14 HG13 VAL 14 83.512 5.730 -0.517 128 HG21 VAL 14 HG21 VAL 14 85.689 3.753 2.024 129 HG22 VAL 14 HG22 VAL 14 84.251 4.531 2.692 130 HG23 VAL 14 HG23 VAL 14 85.833 5.244 2.956 131 H ARG 15 HN ARG 15 87.612 7.448 -0.505 132 HA ARG 15 HA ARG 15 89.859 7.290 1.281 133 HB2 ARG 15 HB2 ARG 15 88.847 9.492 -0.518 134 HB3 ARG 15 HB1 ARG 15 90.305 9.646 0.460 135 HG2 ARG 15 HG2 ARG 15 91.238 7.628 -0.653 136 HG3 ARG 15 HG1 ARG 15 89.786 7.532 -1.654 137 HD2 ARG 15 HD2 ARG 15 90.237 9.773 -2.556 138 HD3 ARG 15 HD1 ARG 15 91.672 9.896 -1.540 139 HE ARG 15 HE ARG 15 91.948 7.582 -3.093 140 HH11 ARG 15 HH21 ARG 15 93.161 10.653 -2.955 141 HH12 ARG 15 HH22 ARG 15 93.426 10.857 -4.656 142 HH21 ARG 15 HH11 ARG 15 91.653 8.012 -5.545 143 HH22 ARG 15 HH12 ARG 15 92.592 9.351 -6.117 144 H ALA 16 HN ALA 16 90.430 9.175 2.768 145 HA ALA 16 HA ALA 16 88.424 9.382 4.780 146 HB1 ALA 16 HB1 ALA 16 90.917 9.520 5.157 147 HB2 ALA 16 HB2 ALA 16 89.967 10.757 5.978 148 HB3 ALA 16 HB3 ALA 16 90.852 11.158 4.504 149 H GLY 17 HN GLY 17 86.949 10.903 5.222 150 HA2 GLY 17 HA2 GLY 17 85.603 12.755 4.956 151 HA3 GLY 17 HA1 GLY 17 87.022 13.582 4.311 152 H ALA 18 HN ALA 18 85.144 10.767 3.207 153 HA ALA 18 HA ALA 18 84.556 12.181 0.675 154 HB1 ALA 18 HB1 ALA 18 85.575 9.345 0.922 155 HB2 ALA 18 HB2 ALA 18 86.505 10.715 0.321 156 HB3 ALA 18 HB3 ALA 18 85.096 10.146 -0.574 157 H GLN 19 HN GLN 19 82.825 11.070 -0.580 158 HA GLN 19 HA GLN 19 80.755 10.059 1.270 159 HB2 GLN 19 HB2 GLN 19 80.770 11.713 -1.192 160 HB3 GLN 19 HB1 GLN 19 79.461 10.542 -1.113 161 HG2 GLN 19 HG2 GLN 19 78.705 12.623 -0.123 162 HG3 GLN 19 HG1 GLN 19 78.865 11.420 1.154 163 HE21 GLN 19 HE21 GLN 19 79.318 12.938 2.862 164 HE22 GLN 19 HE22 GLN 19 80.732 13.873 2.897 165 H ALA 20 HN ALA 20 79.594 8.218 0.847 166 HA ALA 20 HA ALA 20 80.609 6.410 -1.283 167 HB1 ALA 20 HB1 ALA 20 80.859 4.650 0.211 168 HB2 ALA 20 HB2 ALA 20 79.653 5.281 1.332 169 HB3 ALA 20 HB3 ALA 20 81.265 5.997 1.278 170 H CYS 21 HN CYS 21 79.023 5.270 -2.378 171 HA CYS 21 HA CYS 21 76.230 5.569 -1.429 172 HB2 CYS 21 HB2 CYS 21 75.463 6.366 -3.473 173 HB3 CYS 21 HB1 CYS 21 77.019 7.182 -3.338 174 HG CYS 21 HG CYS 21 76.539 5.838 -5.715 175 H PHE 22 HN PHE 22 74.951 3.862 -1.621 176 HA PHE 22 HA PHE 22 75.695 1.595 -3.345 177 HB2 PHE 22 HB2 PHE 22 75.193 1.274 -0.366 178 HB3 PHE 22 HB1 PHE 22 75.482 -0.015 -1.518 179 HD1 PHE 22 HD2 PHE 22 77.697 -0.227 -2.644 180 HD2 PHE 22 HD1 PHE 22 76.999 2.596 0.518 181 HE1 PHE 22 HE2 PHE 22 80.141 0.002 -2.308 182 HE2 PHE 22 HE1 PHE 22 79.444 2.822 0.855 183 HZ PHE 22 HZ PHE 22 81.017 1.524 -0.553 184 H THR 23 HN THR 23 73.899 0.791 -4.293 185 HA THR 23 HA THR 23 71.284 1.031 -2.942 186 HB THR 23 HB THR 23 70.237 2.112 -4.800 187 HG1 THR 23 HG1 THR 23 71.170 2.260 -6.726 188 HG21 THR 23 HG21 THR 23 71.338 4.248 -4.798 189 HG22 THR 23 HG22 THR 23 72.900 3.508 -4.430 190 HG23 THR 23 HG23 THR 23 71.621 3.522 -3.214 191 H CYS 24 HN CYS 24 69.751 -0.520 -3.655 192 HA CYS 24 HA CYS 24 70.728 -2.488 -5.645 193 HB2 CYS 24 HB2 CYS 24 70.989 -3.093 -3.108 194 HB3 CYS 24 HB1 CYS 24 69.268 -3.441 -3.213 195 HG CYS 24 HG CYS 24 69.723 -5.353 -4.803 196 H THR 25 HN THR 25 69.350 -1.832 -7.195 197 HA THR 25 HA THR 25 66.538 -1.458 -6.749 198 HB THR 25 HB THR 25 67.881 -1.924 -9.414 199 HG1 THR 25 HG1 THR 25 68.904 -0.152 -8.989 200 HG21 THR 25 HG21 THR 25 65.312 -1.863 -9.109 201 HG22 THR 25 HG22 THR 25 66.008 -0.770 -10.303 202 HG23 THR 25 HG23 THR 25 65.530 -0.156 -8.720 203 H LEU 26 HN LEU 26 65.213 -3.042 -6.281 204 HA LEU 26 HA LEU 26 65.629 -5.744 -7.435 205 HB2 LEU 26 HB2 LEU 26 63.946 -4.890 -5.075 206 HB3 LEU 26 HB1 LEU 26 64.244 -6.543 -5.606 207 HG LEU 26 HG LEU 26 66.362 -4.597 -4.659 208 HD11 LEU 26 HD11 LEU 26 65.552 -7.149 -3.271 209 HD12 LEU 26 HD12 LEU 26 64.633 -5.667 -2.993 210 HD13 LEU 26 HD13 LEU 26 66.352 -5.725 -2.601 211 HD21 LEU 26 HD21 LEU 26 67.672 -6.884 -4.602 212 HD22 LEU 26 HD22 LEU 26 67.503 -6.038 -6.141 213 HD23 LEU 26 HD23 LEU 26 66.453 -7.409 -5.765 214 H SER 27 HN SER 27 63.066 -6.739 -6.987 215 HA SER 27 HA SER 27 61.488 -5.163 -8.962 216 HB2 SER 27 HB2 SER 27 60.712 -7.172 -9.888 217 HB3 SER 27 HB1 SER 27 62.413 -7.493 -9.574 218 HG SER 27 HG SER 27 61.854 -8.936 -8.170 219 H GLU 28 HN GLU 28 61.663 -6.111 -5.742 220 HA GLU 28 HA GLU 28 58.850 -5.381 -5.340 221 HB2 GLU 28 HB2 GLU 28 58.162 -7.365 -4.399 222 HB3 GLU 28 HB1 GLU 28 59.362 -8.003 -5.514 223 HG2 GLU 28 HG2 GLU 28 59.695 -7.500 -2.545 224 HG3 GLU 28 HG1 GLU 28 59.771 -9.041 -3.391 225 H ALA 29 HN ALA 29 58.342 -4.713 -3.192 226 HA ALA 29 HA ALA 29 60.643 -3.549 -1.817 227 HB1 ALA 29 HB1 ALA 29 57.766 -3.259 -0.968 228 HB2 ALA 29 HB2 ALA 29 58.399 -2.359 -2.345 229 HB3 ALA 29 HB3 ALA 29 59.108 -2.135 -0.742 230 H VAL 30 HN VAL 30 61.519 -4.306 -0.023 231 HA VAL 30 HA VAL 30 60.339 -6.652 1.284 232 HB VAL 30 HB VAL 30 63.075 -5.416 1.647 233 HG11 VAL 30 HG11 VAL 30 61.895 -8.110 2.398 234 HG12 VAL 30 HG12 VAL 30 62.398 -6.835 3.517 235 HG13 VAL 30 HG13 VAL 30 63.600 -7.686 2.544 236 HG21 VAL 30 HG21 VAL 30 63.779 -7.379 0.214 237 HG22 VAL 30 HG22 VAL 30 62.872 -6.139 -0.647 238 HG23 VAL 30 HG23 VAL 30 62.077 -7.633 -0.160 239 HA PRO 31 HA PRO 31 59.103 -3.853 4.593 240 HB2 PRO 31 HB2 PRO 31 58.924 -5.981 6.567 241 HB3 PRO 31 HB1 PRO 31 57.607 -5.119 5.764 242 HG2 PRO 31 HG2 PRO 31 58.397 -7.792 5.343 243 HG3 PRO 31 HG1 PRO 31 57.238 -6.858 4.384 244 HD2 PRO 31 HD2 PRO 31 59.985 -7.650 3.688 245 HD3 PRO 31 HD1 PRO 31 58.689 -7.016 2.649 246 H VAL 32 HN VAL 32 59.802 -4.697 7.382 247 HA VAL 32 HA VAL 32 62.720 -4.144 7.267 248 HB VAL 32 HB VAL 32 60.660 -3.182 9.280 249 HG11 VAL 32 HG11 VAL 32 62.725 -1.891 10.122 250 HG12 VAL 32 HG12 VAL 32 63.676 -3.050 9.190 251 HG13 VAL 32 HG13 VAL 32 62.640 -3.612 10.506 252 HG21 VAL 32 HG21 VAL 32 61.196 -0.961 8.447 253 HG22 VAL 32 HG22 VAL 32 60.724 -1.967 7.077 254 HG23 VAL 32 HG23 VAL 32 62.426 -1.617 7.370 255 H GLY 33 HN GLY 33 63.844 -5.742 8.015 256 HA2 GLY 33 HA2 GLY 33 64.375 -7.054 10.081 257 HA3 GLY 33 HA1 GLY 33 62.694 -7.580 10.048 258 H GLU 34 HN GLU 34 62.714 -7.724 7.083 259 HA GLU 34 HA GLU 34 63.754 -10.431 6.869 260 HB2 GLU 34 HB2 GLU 34 62.240 -8.710 4.887 261 HB3 GLU 34 HB1 GLU 34 62.619 -10.422 4.674 262 HG2 GLU 34 HG2 GLU 34 60.442 -10.484 5.547 263 HG3 GLU 34 HG1 GLU 34 61.431 -10.736 6.983 264 H ALA 35 HN ALA 35 64.764 -7.249 6.092 265 HA ALA 35 HA ALA 35 66.835 -8.253 4.208 266 HB1 ALA 35 HB1 ALA 35 65.875 -5.405 4.642 267 HB2 ALA 35 HB2 ALA 35 65.347 -6.454 3.327 268 HB3 ALA 35 HB3 ALA 35 67.032 -5.949 3.423 269 H SER 36 HN SER 36 68.981 -8.111 4.805 270 HA SER 36 HA SER 36 69.560 -6.847 7.433 271 HB2 SER 36 HB2 SER 36 70.757 -9.217 5.981 272 HB3 SER 36 HB1 SER 36 71.554 -8.441 7.351 273 HG SER 36 HG SER 36 69.348 -10.071 7.268 274 H TRP 37 HN TRP 37 71.213 -5.416 7.591 275 HA TRP 37 HA TRP 37 73.033 -5.021 5.321 276 HB2 TRP 37 HB2 TRP 37 71.210 -2.872 6.424 277 HB3 TRP 37 HB1 TRP 37 72.561 -2.576 5.333 278 HD1 TRP 37 HD1 TRP 37 69.074 -4.089 5.467 279 HE1 TRP 37 HE1 TRP 37 68.244 -4.484 3.053 280 HE3 TRP 37 HE3 TRP 37 73.358 -3.064 2.887 281 HZ2 TRP 37 HZ2 TRP 37 69.275 -4.371 0.377 282 HZ3 TRP 37 HZ3 TRP 37 73.412 -3.215 0.417 283 HH2 TRP 37 HH2 TRP 37 71.379 -3.872 -0.844 284 H TYR 38 HN TYR 38 74.891 -5.425 6.482 285 HA TYR 38 HA TYR 38 75.663 -3.400 8.421 286 HB2 TYR 38 HB2 TYR 38 76.315 -4.981 10.178 287 HB3 TYR 38 HB1 TYR 38 74.572 -4.982 9.908 288 HD1 TYR 38 HD1 TYR 38 73.646 -6.794 8.251 289 HD2 TYR 38 HD2 TYR 38 77.513 -6.996 10.114 290 HE1 TYR 38 HE1 TYR 38 73.711 -9.245 7.857 291 HE2 TYR 38 HE2 TYR 38 77.580 -9.441 9.717 292 HH TYR 38 HH TYR 38 74.994 -11.094 7.927 293 H ILE 39 HN ILE 39 77.901 -3.326 8.908 294 HA ILE 39 HA ILE 39 79.554 -4.300 6.752 295 HB ILE 39 HB ILE 39 80.324 -2.705 9.197 296 HG12 ILE 39 HG12 ILE 39 80.606 -0.966 7.170 297 HG13 ILE 39 HG11 ILE 39 79.379 -1.988 6.421 298 HG21 ILE 39 HG21 ILE 39 81.836 -3.600 6.739 299 HG22 ILE 39 HG22 ILE 39 82.294 -3.781 8.432 300 HG23 ILE 39 HG23 ILE 39 82.341 -2.192 7.672 301 HD11 ILE 39 HD11 ILE 39 79.107 -0.746 9.178 302 HD12 ILE 39 HD12 ILE 39 77.864 -1.604 8.263 303 HD13 ILE 39 HD13 ILE 39 78.448 -0.041 7.698 304 H ASN 40 HN ASN 40 81.204 -5.602 6.846 305 HA ASN 40 HA ASN 40 81.139 -7.722 8.838 306 HB2 ASN 40 HB2 ASN 40 81.547 -8.269 6.456 307 HB3 ASN 40 HB1 ASN 40 83.068 -7.374 6.542 308 HD21 ASN 40 HD21 ASN 40 82.513 -10.383 6.179 309 HD22 ASN 40 HD22 ASN 40 83.439 -11.116 7.402 310 H GLY 41 HN GLY 41 81.933 -7.208 10.736 311 HA2 GLY 41 HA2 GLY 41 84.181 -7.181 11.878 312 HA3 GLY 41 HA1 GLY 41 84.509 -5.744 10.911 313 H ALA 42 HN ALA 42 81.343 -5.413 11.390 314 HA ALA 42 HA ALA 42 81.176 -4.671 14.153 315 HB1 ALA 42 HB1 ALA 42 82.583 -2.808 13.160 316 HB2 ALA 42 HB2 ALA 42 81.096 -2.297 13.962 317 HB3 ALA 42 HB3 ALA 42 81.167 -2.369 12.204 318 H ALA 43 HN ALA 43 79.115 -5.060 14.658 319 HA ALA 43 HA ALA 43 77.054 -5.336 12.697 320 HB1 ALA 43 HB1 ALA 43 77.121 -6.600 14.845 321 HB2 ALA 43 HB2 ALA 43 75.587 -5.780 14.577 322 HB3 ALA 43 HB3 ALA 43 76.765 -5.101 15.701 323 H VAL 44 HN VAL 44 75.386 -3.970 12.139 324 HA VAL 44 HA VAL 44 75.667 -1.150 12.954 325 HB VAL 44 HB VAL 44 74.146 -2.441 10.680 326 HG11 VAL 44 HG11 VAL 44 73.907 -0.098 9.870 327 HG12 VAL 44 HG12 VAL 44 74.584 0.472 11.389 328 HG13 VAL 44 HG13 VAL 44 73.025 -0.368 11.373 329 HG21 VAL 44 HG21 VAL 44 75.861 -1.271 9.323 330 HG22 VAL 44 HG22 VAL 44 76.558 -2.514 10.373 331 HG23 VAL 44 HG23 VAL 44 76.684 -0.810 10.811 332 H GLN 45 HN GLN 45 74.408 -0.443 14.552 333 HA GLN 45 HA GLN 45 71.857 -1.756 15.141 334 HB2 GLN 45 HB2 GLN 45 72.378 0.560 16.829 335 HB3 GLN 45 HB1 GLN 45 72.277 -1.137 17.285 336 HG2 GLN 45 HG2 GLN 45 74.641 -1.447 16.579 337 HG3 GLN 45 HG1 GLN 45 74.726 0.273 16.197 338 HE21 GLN 45 HE21 GLN 45 73.127 1.230 18.371 339 HE22 GLN 45 HE22 GLN 45 73.990 0.977 19.812 340 HA PRO 46 HA PRO 46 69.238 1.117 13.119 341 HB2 PRO 46 HB2 PRO 46 67.553 1.857 15.351 342 HB3 PRO 46 HB1 PRO 46 67.210 0.702 14.058 343 HG2 PRO 46 HG2 PRO 46 67.941 0.180 16.814 344 HG3 PRO 46 HG1 PRO 46 67.399 -0.961 15.574 345 HD2 PRO 46 HD2 PRO 46 70.030 -0.743 16.618 346 HD3 PRO 46 HD1 PRO 46 69.535 -1.678 15.194 347 H ASP 47 HN ASP 47 70.440 2.193 16.282 348 HA ASP 47 HA ASP 47 70.058 4.997 15.687 349 HB2 ASP 47 HB2 ASP 47 71.472 3.564 17.936 350 HB3 ASP 47 HB1 ASP 47 71.297 5.317 17.836 351 H ASP 48 HN ASP 48 71.919 3.196 14.050 352 HA ASP 48 HA ASP 48 74.594 3.820 14.441 353 HB2 ASP 48 HB2 ASP 48 74.788 3.420 11.967 354 HB3 ASP 48 HB1 ASP 48 73.931 2.156 12.849 355 H SER 49 HN SER 49 75.697 5.656 14.420 356 HA SER 49 HA SER 49 74.507 8.094 13.341 357 HB2 SER 49 HB2 SER 49 75.595 8.159 15.540 358 HB3 SER 49 HB1 SER 49 77.112 7.650 14.800 359 HG SER 49 HG SER 49 76.202 9.672 13.390 360 H ASP 50 HN ASP 50 77.558 6.305 12.994 361 HA ASP 50 HA ASP 50 78.564 7.919 10.901 362 HB2 ASP 50 HB2 ASP 50 79.250 5.160 11.889 363 HB3 ASP 50 HB1 ASP 50 80.096 5.909 10.541 364 H TRP 51 HN TRP 51 76.648 4.932 10.909 365 HA TRP 51 HA TRP 51 76.587 5.007 7.949 366 HB2 TRP 51 HB2 TRP 51 75.658 2.761 9.725 367 HB3 TRP 51 HB1 TRP 51 75.905 2.730 7.980 368 HD1 TRP 51 HD1 TRP 51 78.354 2.558 7.081 369 HE1 TRP 51 HE1 TRP 51 80.611 1.974 8.190 370 HE3 TRP 51 HE3 TRP 51 77.060 2.991 12.000 371 HZ2 TRP 51 HZ2 TRP 51 81.713 1.725 10.812 372 HZ3 TRP 51 HZ3 TRP 51 78.729 2.576 13.781 373 HH2 TRP 51 HH2 TRP 51 81.053 1.943 13.195 374 H THR 52 HN THR 52 74.648 4.664 6.831 375 HA THR 52 HA THR 52 72.150 5.271 8.294 376 HB THR 52 HB THR 52 73.086 6.577 5.737 377 HG1 THR 52 HG1 THR 52 72.683 8.438 7.262 378 HG21 THR 52 HG21 THR 52 70.772 6.448 5.439 379 HG22 THR 52 HG22 THR 52 70.933 7.978 6.298 380 HG23 THR 52 HG23 THR 52 70.447 6.526 7.169 381 H VAL 53 HN VAL 53 70.478 4.013 7.727 382 HA VAL 53 HA VAL 53 70.696 2.394 5.256 383 HB VAL 53 HB VAL 53 71.138 0.923 7.122 384 HG11 VAL 53 HG11 VAL 53 69.817 0.796 9.086 385 HG12 VAL 53 HG12 VAL 53 68.503 1.725 8.365 386 HG13 VAL 53 HG13 VAL 53 70.014 2.525 8.804 387 HG21 VAL 53 HG21 VAL 53 69.568 0.178 5.296 388 HG22 VAL 53 HG22 VAL 53 68.223 0.597 6.352 389 HG23 VAL 53 HG23 VAL 53 69.354 -0.672 6.825 390 H THR 54 HN THR 54 68.951 2.409 3.992 391 HA THR 54 HA THR 54 66.369 3.305 5.057 392 HB THR 54 HB THR 54 66.116 5.009 3.380 393 HG1 THR 54 HG1 THR 54 67.488 5.250 1.782 394 HG21 THR 54 HG21 THR 54 67.270 5.521 5.559 395 HG22 THR 54 HG22 THR 54 67.641 6.635 4.246 396 HG23 THR 54 HG23 THR 54 68.801 5.387 4.695 397 H ALA 55 HN ALA 55 64.604 2.872 3.686 398 HA ALA 55 HA ALA 55 65.047 1.224 1.310 399 HB1 ALA 55 HB1 ALA 55 63.992 -0.713 2.111 400 HB2 ALA 55 HB2 ALA 55 63.260 0.135 3.477 401 HB3 ALA 55 HB3 ALA 55 64.985 -0.217 3.480 402 H ASP 56 HN ASP 56 63.836 2.318 -0.102 403 HA ASP 56 HA ASP 56 61.079 3.099 0.654 404 HB2 ASP 56 HB2 ASP 56 61.293 4.878 -1.072 405 HB3 ASP 56 HB1 ASP 56 62.419 5.080 0.268 406 H GLY 57 HN GLY 57 59.875 1.423 -0.137 407 HA2 GLY 57 HA2 GLY 57 58.772 0.168 -1.734 408 HA3 GLY 57 HA1 GLY 57 59.469 1.239 -2.949 409 H SER 58 HN SER 58 60.340 -0.105 -4.457 410 HA SER 58 HA SER 58 61.756 -2.528 -3.638 411 HB2 SER 58 HB2 SER 58 61.156 -1.399 -6.376 412 HB3 SER 58 HB1 SER 58 61.898 -2.968 -6.058 413 HG SER 58 HG SER 58 60.020 -3.636 -5.094 414 H HIS 59 HN HIS 59 62.787 0.322 -3.213 415 HA HIS 59 HA HIS 59 65.418 -0.002 -4.570 416 HB2 HIS 59 HB2 HIS 59 63.903 2.521 -3.879 417 HB3 HIS 59 HB1 HIS 59 65.568 2.490 -4.454 418 HD1 HIS 59 HD1 HIS 59 62.029 1.972 -5.588 419 HD2 HIS 59 HD2 HIS 59 65.870 1.751 -7.192 420 HE1 HIS 59 HE1 HIS 59 61.748 1.773 -8.097 421 H HIS 60 HN HIS 60 67.082 -0.334 -3.209 422 HA HIS 60 HA HIS 60 66.803 0.437 -0.352 423 HB2 HIS 60 HB2 HIS 60 68.608 -1.563 -1.749 424 HB3 HIS 60 HB1 HIS 60 68.758 -1.132 -0.044 425 HD1 HIS 60 HD1 HIS 60 65.924 -2.255 -2.367 426 HD2 HIS 60 HD2 HIS 60 67.249 -2.792 1.546 427 HE1 HIS 60 HE1 HIS 60 64.401 -3.996 -1.329 428 H ALA 61 HN ALA 61 68.634 1.587 0.672 429 HA ALA 61 HA ALA 61 70.749 2.561 -1.079 430 HB1 ALA 61 HB1 ALA 61 68.957 4.086 -1.675 431 HB2 ALA 61 HB2 ALA 61 70.182 4.947 -0.746 432 HB3 ALA 61 HB3 ALA 61 68.669 4.464 0.024 433 H LEU 62 HN LEU 62 72.298 1.842 0.337 434 HA LEU 62 HA LEU 62 72.328 2.944 3.095 435 HB2 LEU 62 HB2 LEU 62 72.441 0.479 2.924 436 HB3 LEU 62 HB1 LEU 62 73.866 0.615 1.906 437 HG LEU 62 HG LEU 62 74.058 2.111 4.481 438 HD11 LEU 62 HD11 LEU 62 74.489 0.104 5.834 439 HD12 LEU 62 HD12 LEU 62 74.041 -0.918 4.472 440 HD13 LEU 62 HD13 LEU 62 72.827 0.109 5.238 441 HD21 LEU 62 HD21 LEU 62 75.878 1.555 2.648 442 HD22 LEU 62 HD22 LEU 62 75.982 0.007 3.485 443 HD23 LEU 62 HD23 LEU 62 76.318 1.507 4.355 444 H LEU 63 HN LEU 63 73.918 4.409 3.633 445 HA LEU 63 HA LEU 63 76.183 4.724 1.736 446 HB2 LEU 63 HB2 LEU 63 75.344 7.235 3.063 447 HB3 LEU 63 HB1 LEU 63 75.815 6.943 1.398 448 HG LEU 63 HG LEU 63 73.478 5.744 1.208 449 HD11 LEU 63 HD11 LEU 63 72.863 5.806 3.575 450 HD12 LEU 63 HD12 LEU 63 71.793 6.884 2.685 451 HD13 LEU 63 HD13 LEU 63 73.123 7.546 3.626 452 HD21 LEU 63 HD21 LEU 63 72.434 8.006 0.746 453 HD22 LEU 63 HD22 LEU 63 73.980 7.731 -0.052 454 HD23 LEU 63 HD23 LEU 63 73.901 8.735 1.395 455 H LEU 64 HN LEU 64 77.629 6.478 2.695 456 HA LEU 64 HA LEU 64 78.139 6.191 5.546 457 HB2 LEU 64 HB2 LEU 64 79.454 4.372 4.306 458 HB3 LEU 64 HB1 LEU 64 80.339 5.687 3.533 459 HG LEU 64 HG LEU 64 80.699 6.532 6.008 460 HD11 LEU 64 HD11 LEU 64 79.176 4.772 6.973 461 HD12 LEU 64 HD12 LEU 64 80.791 4.762 7.659 462 HD13 LEU 64 HD13 LEU 64 80.339 3.559 6.455 463 HD21 LEU 64 HD21 LEU 64 82.494 5.784 4.501 464 HD22 LEU 64 HD22 LEU 64 82.126 4.101 4.884 465 HD23 LEU 64 HD23 LEU 64 82.762 5.168 6.131 466 H ARG 65 HN ARG 65 78.265 8.281 6.150 467 HA ARG 65 HA ARG 65 78.689 10.354 4.280 468 HB2 ARG 65 HB2 ARG 65 77.555 10.468 6.611 469 HB3 ARG 65 HB1 ARG 65 79.188 10.637 7.250 470 HG2 ARG 65 HG2 ARG 65 79.552 12.627 5.844 471 HG3 ARG 65 HG1 ARG 65 77.943 12.434 5.149 472 HD2 ARG 65 HD2 ARG 65 77.798 14.098 6.902 473 HD3 ARG 65 HD1 ARG 65 76.980 12.640 7.452 474 HE ARG 65 HE ARG 65 79.700 12.604 8.286 475 HH11 ARG 65 HH11 ARG 65 77.231 14.917 8.719 476 HH12 ARG 65 HH12 ARG 65 77.333 14.934 10.446 477 HH21 ARG 65 HH21 ARG 65 79.520 12.261 10.624 478 HH22 ARG 65 HH22 ARG 65 78.594 13.416 11.526 479 H SER 66 HN SER 66 80.672 11.446 6.573 480 HA SER 66 HA SER 66 83.034 11.203 5.019 481 HB2 SER 66 HB2 SER 66 82.910 12.003 7.929 482 HB3 SER 66 HB1 SER 66 84.092 12.500 6.722 483 HG SER 66 HG SER 66 82.700 14.158 6.763 484 H ALA 67 HN ALA 67 83.939 9.248 4.770 485 HA ALA 67 HA ALA 67 83.834 7.142 6.635 486 HB1 ALA 67 HB1 ALA 67 86.050 7.327 4.615 487 HB2 ALA 67 HB2 ALA 67 84.386 7.183 4.052 488 HB3 ALA 67 HB3 ALA 67 85.075 5.929 5.085 489 H GLN 68 HN GLN 68 85.277 6.377 8.112 490 HA GLN 68 HA GLN 68 87.675 8.016 8.679 491 HB2 GLN 68 HB2 GLN 68 85.678 6.981 10.703 492 HB3 GLN 68 HB1 GLN 68 87.179 7.822 11.088 493 HG2 GLN 68 HG2 GLN 68 86.299 9.733 9.617 494 HG3 GLN 68 HG1 GLN 68 84.741 8.910 9.672 495 HE21 GLN 68 HE21 GLN 68 83.684 8.690 11.812 496 HE22 GLN 68 HE22 GLN 68 84.116 9.729 13.087 497 HA PRO 69 HA PRO 69 89.635 4.005 8.606 498 HB2 PRO 69 HB2 PRO 69 91.553 4.629 10.684 499 HB3 PRO 69 HB1 PRO 69 91.816 4.567 8.941 500 HG2 PRO 69 HG2 PRO 69 91.565 6.887 10.654 501 HG3 PRO 69 HG1 PRO 69 92.010 6.810 8.939 502 HD2 PRO 69 HD2 PRO 69 89.572 7.797 9.998 503 HD3 PRO 69 HD1 PRO 69 89.915 7.461 8.287 504 H HIS 70 HN HIS 70 87.846 2.876 9.500 505 HA HIS 70 HA HIS 70 88.251 1.278 11.686 506 HB2 HIS 70 HB2 HIS 70 87.147 3.936 12.471 507 HB3 HIS 70 HB1 HIS 70 86.338 2.548 13.179 508 HD1 HIS 70 HD1 HIS 70 89.757 1.577 12.663 509 HD2 HIS 70 HD2 HIS 70 87.786 3.857 15.546 510 HE1 HIS 70 HE1 HIS 70 91.307 1.702 14.660 511 H HIS 71 HN HIS 71 86.088 2.912 9.549 512 HA HIS 71 HA HIS 71 83.865 1.109 10.065 513 HB2 HIS 71 HB2 HIS 71 84.212 3.166 7.869 514 HB3 HIS 71 HB1 HIS 71 82.716 2.346 8.309 515 HD1 HIS 71 HD1 HIS 71 83.489 2.620 11.493 516 HD2 HIS 71 HD2 HIS 71 83.077 5.670 8.683 517 HE1 HIS 71 HE1 HIS 71 83.068 4.747 12.801 518 H ALA 72 HN ALA 72 86.758 0.771 8.584 519 HA ALA 72 HA ALA 72 86.233 -0.321 6.057 520 HB1 ALA 72 HB1 ALA 72 88.510 0.154 6.754 521 HB2 ALA 72 HB2 ALA 72 88.368 -1.563 6.365 522 HB3 ALA 72 HB3 ALA 72 88.393 -1.039 8.049 523 H GLY 73 HN GLY 73 85.855 -2.387 5.330 524 HA2 GLY 73 HA2 GLY 73 85.842 -4.793 6.586 525 HA3 GLY 73 HA1 GLY 73 84.318 -4.076 7.104 526 H GLU 74 HN GLU 74 83.067 -5.580 5.975 527 HA GLU 74 HA GLU 74 82.815 -5.012 3.094 528 HB2 GLU 74 HB2 GLU 74 83.140 -7.786 4.276 529 HB3 GLU 74 HB1 GLU 74 82.607 -7.464 2.631 530 HG2 GLU 74 HG2 GLU 74 84.910 -7.789 2.353 531 HG3 GLU 74 HG1 GLU 74 84.800 -6.037 2.458 532 H VAL 75 HN VAL 75 80.645 -4.465 2.802 533 HA VAL 75 HA VAL 75 78.718 -5.026 4.778 534 HB VAL 75 HB VAL 75 78.084 -4.238 1.953 535 HG11 VAL 75 HG11 VAL 75 76.267 -4.635 3.612 536 HG12 VAL 75 HG12 VAL 75 76.309 -2.982 3.006 537 HG13 VAL 75 HG13 VAL 75 76.942 -3.348 4.608 538 HG21 VAL 75 HG21 VAL 75 78.485 -1.842 2.858 539 HG22 VAL 75 HG22 VAL 75 79.894 -2.789 2.365 540 HG23 VAL 75 HG23 VAL 75 79.497 -2.624 4.077 541 H THR 76 HN THR 76 77.024 -6.366 4.794 542 HA THR 76 HA THR 76 76.898 -8.513 2.755 543 HB THR 76 HB THR 76 77.037 -8.610 5.729 544 HG1 THR 76 HG1 THR 76 78.579 -9.244 3.860 545 HG21 THR 76 HG21 THR 76 75.482 -10.568 4.008 546 HG22 THR 76 HG22 THR 76 74.895 -9.691 5.421 547 HG23 THR 76 HG23 THR 76 76.090 -10.972 5.613 548 H PHE 77 HN PHE 77 74.974 -8.681 1.851 549 HA PHE 77 HA PHE 77 72.601 -7.649 3.257 550 HB2 PHE 77 HB2 PHE 77 73.024 -5.881 1.793 551 HB3 PHE 77 HB1 PHE 77 73.585 -6.945 0.509 552 HD1 PHE 77 HD1 PHE 77 70.474 -7.042 2.606 553 HD2 PHE 77 HD2 PHE 77 72.133 -6.607 -1.327 554 HE1 PHE 77 HE1 PHE 77 68.204 -7.028 1.658 555 HE2 PHE 77 HE2 PHE 77 69.842 -6.609 -2.285 556 HZ PHE 77 HZ PHE 77 67.876 -6.819 -0.789 557 H ALA 78 HN ALA 78 70.803 -8.802 3.080 558 HA ALA 78 HA ALA 78 70.464 -10.778 0.997 559 HB1 ALA 78 HB1 ALA 78 71.998 -11.941 2.593 560 HB2 ALA 78 HB2 ALA 78 70.432 -12.743 2.425 561 HB3 ALA 78 HB3 ALA 78 70.769 -11.757 3.849 562 H CYS 79 HN CYS 79 68.328 -11.442 0.808 563 HA CYS 79 HA CYS 79 66.397 -10.899 2.905 564 HB2 CYS 79 HB2 CYS 79 65.015 -9.397 1.552 565 HB3 CYS 79 HB1 CYS 79 66.612 -8.695 1.798 566 HG CYS 79 HG CYS 79 65.471 -9.632 -0.887 567 H ARG 80 HN ARG 80 64.515 -10.685 0.389 568 HA ARG 80 HA ARG 80 63.530 -13.281 0.423 569 HB2 ARG 80 HB2 ARG 80 63.395 -11.164 -1.725 570 HB3 ARG 80 HB1 ARG 80 62.414 -12.625 -1.713 571 HG2 ARG 80 HG2 ARG 80 61.492 -11.982 0.494 572 HG3 ARG 80 HG1 ARG 80 62.453 -10.502 0.446 573 HD2 ARG 80 HD2 ARG 80 61.305 -9.841 -1.645 574 HD3 ARG 80 HD1 ARG 80 60.319 -11.298 -1.556 575 HE ARG 80 HE ARG 80 60.006 -8.895 0.031 576 HH11 ARG 80 HH21 ARG 80 59.685 -12.329 0.087 577 HH12 ARG 80 HH22 ARG 80 58.231 -12.322 1.021 578 HH21 ARG 80 HH11 ARG 80 57.987 -8.862 1.104 579 HH22 ARG 80 HH12 ARG 80 57.278 -10.355 1.617 580 H ASP 81 HN ASP 81 65.482 -14.580 0.314 581 HA ASP 81 HA ASP 81 67.094 -15.837 -0.759 582 HB2 ASP 81 HB2 ASP 81 64.932 -16.740 -1.626 583 HB3 ASP 81 HB1 ASP 81 65.088 -15.664 -3.011 584 H ALA 82 HN ALA 82 66.925 -12.760 -1.320 585 HA ALA 82 HA ALA 82 68.527 -12.690 -3.807 586 HB1 ALA 82 HB1 ALA 82 66.499 -10.992 -2.713 587 HB2 ALA 82 HB2 ALA 82 67.376 -10.767 -4.223 588 HB3 ALA 82 HB3 ALA 82 67.989 -10.054 -2.732 589 H VAL 83 HN VAL 83 70.465 -13.499 -2.942 590 HA VAL 83 HA VAL 83 71.724 -12.221 -0.663 591 HB VAL 83 HB VAL 83 72.003 -14.631 -1.037 592 HG11 VAL 83 HG11 VAL 83 73.234 -15.469 -2.946 593 HG12 VAL 83 HG12 VAL 83 73.585 -13.833 -3.501 594 HG13 VAL 83 HG13 VAL 83 71.936 -14.449 -3.559 595 HG21 VAL 83 HG21 VAL 83 73.791 -13.206 0.057 596 HG22 VAL 83 HG22 VAL 83 74.616 -13.160 -1.504 597 HG23 VAL 83 HG23 VAL 83 74.393 -14.696 -0.670 598 H ALA 84 HN ALA 84 73.763 -11.111 -0.736 599 HA ALA 84 HA ALA 84 75.124 -10.435 -3.116 600 HB1 ALA 84 HB1 ALA 84 74.315 -7.973 -3.130 601 HB2 ALA 84 HB2 ALA 84 72.923 -8.589 -2.230 602 HB3 ALA 84 HB3 ALA 84 73.262 -9.190 -3.848 603 H SER 85 HN SER 85 77.112 -10.155 -2.269 604 HA SER 85 HA SER 85 77.454 -8.899 0.350 605 HB2 SER 85 HB2 SER 85 78.632 -11.030 -0.257 606 HB3 SER 85 HB1 SER 85 79.537 -10.126 -1.468 607 HG SER 85 HG SER 85 80.657 -10.244 0.522 608 H ALA 86 HN ALA 86 79.820 -7.734 0.258 609 HA ALA 86 HA ALA 86 80.197 -5.968 -1.983 610 HB1 ALA 86 HB1 ALA 86 79.698 -4.236 0.354 611 HB2 ALA 86 HB2 ALA 86 78.258 -5.065 -0.231 612 HB3 ALA 86 HB3 ALA 86 79.182 -4.030 -1.320 613 H ARG 87 HN ARG 87 82.077 -4.611 -1.804 614 HA ARG 87 HA ARG 87 83.918 -5.439 0.380 615 HB2 ARG 87 HB2 ARG 87 84.500 -4.720 -2.505 616 HB3 ARG 87 HB1 ARG 87 85.737 -4.981 -1.275 617 HG2 ARG 87 HG2 ARG 87 84.876 -7.255 -0.885 618 HG3 ARG 87 HG1 ARG 87 83.649 -7.002 -2.128 619 HD2 ARG 87 HD2 ARG 87 85.471 -6.598 -3.782 620 HD3 ARG 87 HD1 ARG 87 86.649 -6.983 -2.534 621 HE ARG 87 HE ARG 87 84.642 -9.032 -2.927 622 HH11 ARG 87 HH11 ARG 87 86.925 -7.834 -5.051 623 HH12 ARG 87 HH12 ARG 87 87.842 -9.294 -5.195 624 HH21 ARG 87 HH21 ARG 87 86.173 -10.903 -2.608 625 HH22 ARG 87 HH22 ARG 87 87.418 -11.037 -3.806 626 H LEU 88 HN LEU 88 84.159 -3.838 1.801 627 HA LEU 88 HA LEU 88 84.238 -1.036 0.819 628 HB2 LEU 88 HB2 LEU 88 82.323 -1.590 2.333 629 HB3 LEU 88 HB1 LEU 88 83.484 -2.027 3.583 630 HG LEU 88 HG LEU 88 84.434 0.294 3.432 631 HD11 LEU 88 HD11 LEU 88 82.198 0.552 1.425 632 HD12 LEU 88 HD12 LEU 88 83.845 1.166 1.333 633 HD13 LEU 88 HD13 LEU 88 82.674 1.951 2.383 634 HD21 LEU 88 HD21 LEU 88 82.869 -0.268 5.193 635 HD22 LEU 88 HD22 LEU 88 81.499 -0.053 4.104 636 HD23 LEU 88 HD23 LEU 88 82.462 1.338 4.593 637 H THR 89 HN THR 89 86.164 -0.033 0.988 638 HA THR 89 HA THR 89 88.012 -0.822 3.135 639 HB THR 89 HB THR 89 88.685 -2.147 1.178 640 HG1 THR 89 HG1 THR 89 90.376 0.053 1.751 641 HG21 THR 89 HG21 THR 89 89.253 0.477 -0.214 642 HG22 THR 89 HG22 THR 89 87.781 -0.453 -0.504 643 HG23 THR 89 HG23 THR 89 89.354 -1.151 -0.887 644 H VAL 90 HN VAL 90 88.704 0.859 4.182 645 HA VAL 90 HA VAL 90 88.427 3.545 3.012 646 HB VAL 90 HB VAL 90 89.060 2.677 5.846 647 HG11 VAL 90 HG11 VAL 90 88.401 5.043 6.355 648 HG12 VAL 90 HG12 VAL 90 88.355 5.357 4.621 649 HG13 VAL 90 HG13 VAL 90 89.876 4.927 5.396 650 HG21 VAL 90 HG21 VAL 90 86.726 3.241 6.313 651 HG22 VAL 90 HG22 VAL 90 86.802 1.996 5.063 652 HG23 VAL 90 HG23 VAL 90 86.477 3.672 4.622 653 H LEU 91 HN LEU 91 90.166 4.456 2.121 654 HA LEU 91 HA LEU 91 92.839 3.433 2.778 655 HB2 LEU 91 HB2 LEU 91 92.110 3.759 0.413 656 HB3 LEU 91 HB1 LEU 91 92.018 5.491 0.720 657 HG LEU 91 HG LEU 91 94.426 5.467 1.382 658 HD11 LEU 91 HD11 LEU 91 95.115 3.370 2.026 659 HD12 LEU 91 HD12 LEU 91 95.570 3.238 0.330 660 HD13 LEU 91 HD13 LEU 91 94.050 2.539 0.895 661 HD21 LEU 91 HD21 LEU 91 93.666 6.017 -0.935 662 HD22 LEU 91 HD22 LEU 91 93.879 4.323 -1.379 663 HD23 LEU 91 HD23 LEU 91 95.273 5.292 -0.907 664 H GLY 92 HN GLY 92 93.779 4.276 4.467 665 HA2 GLY 92 HA2 GLY 92 93.721 7.215 4.905 666 HA3 GLY 92 HA1 GLY 92 93.534 6.071 6.233 667 H LEU 93 HN LEU 93 95.500 4.221 4.892 668 HA LEU 93 HA LEU 93 97.946 5.591 5.830 669 HB2 LEU 93 HB2 LEU 93 97.153 2.689 5.596 670 HB3 LEU 93 HB1 LEU 93 98.815 3.196 5.881 671 HG LEU 93 HG LEU 93 97.900 4.530 7.892 672 HD11 LEU 93 HD11 LEU 93 95.536 4.538 7.439 673 HD12 LEU 93 HD12 LEU 93 95.771 3.489 8.827 674 HD13 LEU 93 HD13 LEU 93 95.500 2.790 7.231 675 HD21 LEU 93 HD21 LEU 93 97.697 1.496 7.877 676 HD22 LEU 93 HD22 LEU 93 97.893 2.498 9.315 677 HD23 LEU 93 HD23 LEU 93 99.174 2.430 8.106 678 HA PRO 94 HA PRO 94 98.567 5.553 1.313 679 HB2 PRO 94 HB2 PRO 94 101.171 6.796 1.675 680 HB3 PRO 94 HB1 PRO 94 99.705 7.490 0.965 681 HG2 PRO 94 HG2 PRO 94 100.851 8.115 3.477 682 HG3 PRO 94 HG1 PRO 94 99.301 8.671 2.839 683 HD2 PRO 94 HD2 PRO 94 99.790 6.721 4.952 684 HD3 PRO 94 HD1 PRO 94 98.246 7.430 4.435 685 H ASP 95 HN ASP 95 99.586 4.070 0.029 686 HA ASP 95 HA ASP 95 101.259 2.097 1.382 687 HB2 ASP 95 HB2 ASP 95 100.955 0.789 -0.690 688 HB3 ASP 95 HB1 ASP 95 99.421 1.278 0.028 689 H GLY 96 HN GLY 96 103.364 2.529 1.495 690 HA2 GLY 96 HA2 GLY 96 104.791 4.199 -0.296 691 HA3 GLY 96 HA1 GLY 96 105.510 3.071 0.859 692 H LEU 97 HN LEU 97 104.490 3.555 -2.430 693 HA LEU 97 HA LEU 97 105.104 0.810 -3.234 694 HB2 LEU 97 HB2 LEU 97 104.200 3.251 -4.771 695 HB3 LEU 97 HB1 LEU 97 104.533 1.693 -5.520 696 HG LEU 97 HG LEU 97 102.544 2.073 -3.271 697 HD11 LEU 97 HD11 LEU 97 100.823 1.925 -5.087 698 HD12 LEU 97 HD12 LEU 97 102.128 2.038 -6.268 699 HD13 LEU 97 HD13 LEU 97 101.811 3.383 -5.175 700 HD21 LEU 97 HD21 LEU 97 103.051 -0.223 -3.331 701 HD22 LEU 97 HD22 LEU 97 103.331 -0.219 -5.075 702 HD23 LEU 97 HD23 LEU 97 101.689 -0.134 -4.444 703 H GLU 98 HN GLU 98 106.837 0.187 -4.483 704 HA GLU 98 HA GLU 98 109.181 1.886 -4.360 705 HB2 GLU 98 HB2 GLU 98 108.731 -0.893 -5.463 706 HB3 GLU 98 HB1 GLU 98 110.294 -0.070 -5.479 707 HG2 GLU 98 HG2 GLU 98 110.255 0.117 -3.043 708 HG3 GLU 98 HG1 GLU 98 108.654 -0.625 -2.991 709 H HIS 99 HN HIS 99 110.524 2.264 -6.272 710 HA HIS 99 HA HIS 99 110.887 3.029 -8.394 711 HB2 HIS 99 HB2 HIS 99 109.773 0.738 -8.899 712 HB3 HIS 99 HB1 HIS 99 108.348 1.691 -9.318 713 HD1 HIS 99 HD1 HIS 99 112.087 1.904 -10.095 714 HD2 HIS 99 HD2 HIS 99 108.405 2.347 -12.005 715 HE1 HIS 99 HE1 HIS 99 112.598 2.544 -12.489 716 H HIS 100 HN HIS 100 108.795 3.674 -10.353 717 HA HIS 100 HA HIS 100 107.729 5.623 -10.985 718 HB2 HIS 100 HB2 HIS 100 105.984 4.305 -9.672 719 HB3 HIS 100 HB1 HIS 100 106.350 5.363 -8.308 720 HD1 HIS 100 HD1 HIS 100 106.650 8.056 -9.655 721 HD2 HIS 100 HD2 HIS 100 103.642 5.362 -10.680 722 HE1 HIS 100 HE1 HIS 100 104.797 9.421 -10.712 723 H HIS 101 HN HIS 101 109.658 6.917 -10.793 724 HA HIS 101 HA HIS 101 110.449 8.207 -8.420 725 HB2 HIS 101 HB2 HIS 101 111.494 9.888 -10.077 726 HB3 HIS 101 HB1 HIS 101 112.034 8.210 -10.150 727 HD1 HIS 101 HD1 HIS 101 108.712 8.315 -11.490 728 HD2 HIS 101 HD2 HIS 101 112.498 9.217 -12.980 729 HE1 HIS 101 HE1 HIS 101 108.515 8.275 -14.018 730 H HIS 102 HN HIS 102 109.231 9.474 -7.239 731 HA HIS 102 HA HIS 102 107.850 11.757 -8.440 732 HB2 HIS 102 HB2 HIS 102 106.173 9.878 -8.335 733 HB3 HIS 102 HB1 HIS 102 106.409 9.835 -6.587 734 HD1 HIS 102 HD1 HIS 102 105.628 12.498 -9.214 735 HD2 HIS 102 HD2 HIS 102 104.582 11.471 -5.310 736 HE1 HIS 102 HE1 HIS 102 103.937 14.217 -8.451 737 H HIS 103 HN HIS 103 109.030 13.284 -7.348 738 HA HIS 103 HA HIS 103 110.036 13.001 -4.727 739 HB2 HIS 103 HB2 HIS 103 110.912 14.673 -6.308 740 HB3 HIS 103 HB1 HIS 103 109.385 15.550 -6.224 741 HD1 HIS 103 HD1 HIS 103 109.134 17.208 -4.354 742 HD2 HIS 103 HD2 HIS 103 112.290 14.566 -3.674 743 HE1 HIS 103 HE1 HIS 103 110.308 18.013 -2.256 744 H HIS 104 HN HIS 104 107.103 14.619 -5.939 745 HA HIS 104 HA HIS 104 105.597 14.036 -3.595 746 HB2 HIS 104 HB2 HIS 104 106.988 15.756 -2.579 747 HB3 HIS 104 HB1 HIS 104 106.613 16.874 -3.895 748 HD1 HIS 104 HD1 HIS 104 104.434 18.155 -3.749 749 HD2 HIS 104 HD2 HIS 104 104.668 15.106 -0.914 750 HE1 HIS 104 HE1 HIS 104 102.476 18.486 -2.175 Start of MODEL 10 1 H1 TRP 1 HT1 TRP 1 54.201 -10.409 -8.365 2 H2 TRP 1 HT2 TRP 1 53.501 -11.852 -8.924 3 H3 TRP 1 HT3 TRP 1 54.791 -11.143 -9.776 4 HA TRP 1 HA TRP 1 55.314 -11.772 -6.990 5 HB2 TRP 1 HB2 TRP 1 54.803 -13.862 -9.117 6 HB3 TRP 1 HB1 TRP 1 55.811 -14.182 -7.706 7 HD1 TRP 1 HD1 TRP 1 54.618 -14.005 -5.286 8 HE1 TRP 1 HE1 TRP 1 52.161 -14.372 -4.597 9 HE3 TRP 1 HE3 TRP 1 52.359 -13.668 -9.854 10 HZ2 TRP 1 HZ2 TRP 1 49.578 -14.504 -5.822 11 HZ3 TRP 1 HZ3 TRP 1 49.904 -13.921 -10.064 12 HH2 TRP 1 HH2 TRP 1 48.512 -14.337 -8.057 13 H ARG 2 HN ARG 2 56.409 -9.924 -8.767 14 HA ARG 2 HA ARG 2 58.883 -11.171 -9.786 15 HB2 ARG 2 HB2 ARG 2 59.208 -8.909 -10.870 16 HB3 ARG 2 HB1 ARG 2 57.807 -9.819 -11.432 17 HG2 ARG 2 HG2 ARG 2 56.370 -8.527 -9.860 18 HG3 ARG 2 HG1 ARG 2 57.778 -7.578 -9.387 19 HD2 ARG 2 HD2 ARG 2 58.058 -6.850 -11.739 20 HD3 ARG 2 HD1 ARG 2 56.624 -7.771 -12.183 21 HE ARG 2 HE ARG 2 56.688 -5.238 -10.754 22 HH11 ARG 2 HH21 ARG 2 54.836 -7.225 -12.697 23 HH12 ARG 2 HH22 ARG 2 53.320 -6.889 -11.931 24 HH21 ARG 2 HH11 ARG 2 54.735 -5.176 -9.274 25 HH22 ARG 2 HH12 ARG 2 53.262 -5.731 -9.996 26 H LEU 3 HN LEU 3 60.721 -11.001 -8.731 27 HA LEU 3 HA LEU 3 61.258 -8.721 -6.956 28 HB2 LEU 3 HB2 LEU 3 62.137 -10.309 -5.229 29 HB3 LEU 3 HB1 LEU 3 60.388 -10.322 -5.389 30 HG LEU 3 HG LEU 3 62.009 -12.276 -7.018 31 HD11 LEU 3 HD11 LEU 3 62.950 -12.568 -4.807 32 HD12 LEU 3 HD12 LEU 3 61.844 -13.905 -5.120 33 HD13 LEU 3 HD13 LEU 3 61.344 -12.574 -4.078 34 HD21 LEU 3 HD21 LEU 3 59.668 -12.344 -7.489 35 HD22 LEU 3 HD22 LEU 3 59.237 -12.241 -5.785 36 HD23 LEU 3 HD23 LEU 3 59.960 -13.713 -6.424 37 H GLU 4 HN GLU 4 62.249 -9.281 -9.496 38 HA GLU 4 HA GLU 4 64.763 -10.655 -9.370 39 HB2 GLU 4 HB2 GLU 4 63.540 -8.813 -11.430 40 HB3 GLU 4 HB1 GLU 4 65.045 -9.709 -11.658 41 HG2 GLU 4 HG2 GLU 4 63.882 -11.827 -11.313 42 HG3 GLU 4 HG1 GLU 4 62.380 -10.972 -10.964 43 H ILE 5 HN ILE 5 66.845 -9.769 -9.495 44 HA ILE 5 HA ILE 5 67.143 -7.168 -8.188 45 HB ILE 5 HB ILE 5 69.205 -9.245 -9.014 46 HG12 ILE 5 HG12 ILE 5 68.264 -8.443 -6.251 47 HG13 ILE 5 HG11 ILE 5 67.578 -9.805 -7.137 48 HG21 ILE 5 HG21 ILE 5 70.670 -7.855 -7.466 49 HG22 ILE 5 HG22 ILE 5 69.427 -6.605 -7.553 50 HG23 ILE 5 HG23 ILE 5 70.282 -7.104 -9.013 51 HD11 ILE 5 HD11 ILE 5 69.710 -10.922 -7.218 52 HD12 ILE 5 HD12 ILE 5 69.440 -10.428 -5.547 53 HD13 ILE 5 HD13 ILE 5 70.536 -9.504 -6.574 54 H LEU 6 HN LEU 6 66.936 -5.504 -9.490 55 HA LEU 6 HA LEU 6 67.517 -5.643 -12.304 56 HB2 LEU 6 HB2 LEU 6 66.599 -3.416 -10.495 57 HB3 LEU 6 HB1 LEU 6 66.924 -3.169 -12.210 58 HG LEU 6 HG LEU 6 65.296 -4.918 -12.787 59 HD11 LEU 6 HD11 LEU 6 65.306 -6.474 -11.039 60 HD12 LEU 6 HD12 LEU 6 63.781 -5.642 -10.776 61 HD13 LEU 6 HD13 LEU 6 65.179 -5.232 -9.790 62 HD21 LEU 6 HD21 LEU 6 64.515 -2.585 -12.539 63 HD22 LEU 6 HD22 LEU 6 64.202 -2.872 -10.828 64 HD23 LEU 6 HD23 LEU 6 63.258 -3.721 -12.052 65 H GLU 7 HN GLU 7 68.785 -3.341 -9.834 66 HA GLU 7 HA GLU 7 71.355 -3.355 -11.348 67 HB2 GLU 7 HB2 GLU 7 69.907 -1.047 -10.035 68 HB3 GLU 7 HB1 GLU 7 71.564 -0.965 -10.635 69 HG2 GLU 7 HG2 GLU 7 70.827 -1.509 -12.889 70 HG3 GLU 7 HG1 GLU 7 69.173 -1.742 -12.328 71 H LEU 8 HN LEU 8 72.861 -4.322 -10.182 72 HA LEU 8 HA LEU 8 72.865 -4.013 -7.239 73 HB2 LEU 8 HB2 LEU 8 72.787 -6.333 -8.200 74 HB3 LEU 8 HB1 LEU 8 74.350 -6.023 -8.952 75 HG LEU 8 HG LEU 8 75.323 -5.587 -6.707 76 HD11 LEU 8 HD11 LEU 8 73.662 -4.893 -5.247 77 HD12 LEU 8 HD12 LEU 8 73.744 -6.593 -4.797 78 HD13 LEU 8 HD13 LEU 8 72.472 -6.030 -5.881 79 HD21 LEU 8 HD21 LEU 8 75.070 -8.001 -5.887 80 HD22 LEU 8 HD22 LEU 8 75.608 -7.802 -7.555 81 HD23 LEU 8 HD23 LEU 8 73.930 -8.225 -7.213 82 H LEU 9 HN LEU 9 74.343 -2.673 -6.391 83 HA LEU 9 HA LEU 9 76.708 -1.947 -8.029 84 HB2 LEU 9 HB2 LEU 9 75.117 -0.098 -7.541 85 HB3 LEU 9 HB1 LEU 9 75.375 -0.362 -5.820 86 HG LEU 9 HG LEU 9 77.771 0.154 -6.087 87 HD11 LEU 9 HD11 LEU 9 78.289 1.316 -8.420 88 HD12 LEU 9 HD12 LEU 9 76.999 0.261 -8.995 89 HD13 LEU 9 HD13 LEU 9 78.437 -0.432 -8.246 90 HD21 LEU 9 HD21 LEU 9 76.017 1.941 -5.679 91 HD22 LEU 9 HD22 LEU 9 76.076 2.293 -7.406 92 HD23 LEU 9 HD23 LEU 9 77.511 2.530 -6.409 93 H LYS 10 HN LYS 10 78.597 -2.631 -7.344 94 HA LYS 10 HA LYS 10 79.123 -2.966 -4.463 95 HB2 LYS 10 HB2 LYS 10 80.109 -5.025 -6.436 96 HB3 LYS 10 HB1 LYS 10 80.006 -5.138 -4.686 97 HG2 LYS 10 HG2 LYS 10 77.555 -4.939 -6.454 98 HG3 LYS 10 HG1 LYS 10 78.278 -6.476 -6.012 99 HD2 LYS 10 HD2 LYS 10 77.587 -4.511 -3.838 100 HD3 LYS 10 HD1 LYS 10 76.312 -5.479 -4.558 101 HE2 LYS 10 HE2 LYS 10 78.850 -6.740 -3.510 102 HE3 LYS 10 HE1 LYS 10 77.457 -6.446 -2.475 103 HZ1 LYS 10 HZ1 LYS 10 77.014 -8.541 -3.235 104 HZ2 LYS 10 HZ2 LYS 10 77.734 -8.277 -4.753 105 HZ3 LYS 10 HZ3 LYS 10 76.204 -7.623 -4.410 106 H ASN 11 HN ASN 11 81.685 -3.947 -4.683 107 HA ASN 11 HA ASN 11 83.853 -3.197 -4.954 108 HB2 ASN 11 HB2 ASN 11 83.249 -3.762 -7.344 109 HB3 ASN 11 HB1 ASN 11 82.858 -2.060 -7.572 110 HD21 ASN 11 HD21 ASN 11 84.614 -1.496 -8.958 111 HD22 ASN 11 HD22 ASN 11 86.237 -1.589 -8.472 112 H ALA 12 HN ALA 12 84.328 -1.652 -3.529 113 HA ALA 12 HA ALA 12 84.161 1.106 -4.362 114 HB1 ALA 12 HB1 ALA 12 82.325 0.078 -2.223 115 HB2 ALA 12 HB2 ALA 12 81.933 1.054 -3.634 116 HB3 ALA 12 HB3 ALA 12 82.811 1.771 -2.284 117 H ALA 13 HN ALA 13 85.489 2.412 -3.411 118 HA ALA 13 HA ALA 13 86.973 1.589 -0.981 119 HB1 ALA 13 HB1 ALA 13 88.034 2.662 -3.606 120 HB2 ALA 13 HB2 ALA 13 88.560 1.234 -2.715 121 HB3 ALA 13 HB3 ALA 13 88.931 2.844 -2.098 122 H VAL 14 HN VAL 14 87.383 3.328 0.409 123 HA VAL 14 HA VAL 14 86.161 5.927 -0.337 124 HB VAL 14 HB VAL 14 85.646 6.089 2.171 125 HG11 VAL 14 HG11 VAL 14 83.603 4.618 1.880 126 HG12 VAL 14 HG12 VAL 14 84.283 4.121 0.329 127 HG13 VAL 14 HG13 VAL 14 83.860 5.811 0.607 128 HG21 VAL 14 HG21 VAL 14 85.321 3.868 3.265 129 HG22 VAL 14 HG22 VAL 14 87.019 4.225 2.955 130 HG23 VAL 14 HG23 VAL 14 86.147 3.103 1.911 131 H ARG 15 HN ARG 15 87.311 7.613 -0.179 132 HA ARG 15 HA ARG 15 89.941 7.537 1.155 133 HB2 ARG 15 HB2 ARG 15 88.742 9.473 -0.829 134 HB3 ARG 15 HB1 ARG 15 90.261 9.774 0.012 135 HG2 ARG 15 HG2 ARG 15 91.104 7.576 -0.874 136 HG3 ARG 15 HG1 ARG 15 89.634 7.469 -1.849 137 HD2 ARG 15 HD2 ARG 15 90.172 9.607 -2.920 138 HD3 ARG 15 HD1 ARG 15 91.616 9.752 -1.923 139 HE ARG 15 HE ARG 15 91.543 7.318 -3.479 140 HH11 ARG 15 HH11 ARG 15 91.584 10.586 -4.321 141 HH12 ARG 15 HH12 ARG 15 93.081 10.530 -5.191 142 HH21 ARG 15 HH21 ARG 15 93.824 7.282 -4.232 143 HH22 ARG 15 HH22 ARG 15 94.347 8.660 -5.141 144 H ALA 16 HN ALA 16 90.587 9.327 2.490 145 HA ALA 16 HA ALA 16 88.950 9.840 4.634 146 HB1 ALA 16 HB1 ALA 16 91.076 11.675 3.499 147 HB2 ALA 16 HB2 ALA 16 91.342 10.357 4.640 148 HB3 ALA 16 HB3 ALA 16 90.413 11.773 5.130 149 H GLY 17 HN GLY 17 86.947 10.706 4.658 150 HA2 GLY 17 HA2 GLY 17 85.404 12.453 4.539 151 HA3 GLY 17 HA1 GLY 17 86.526 13.358 3.532 152 H ALA 18 HN ALA 18 85.962 10.105 2.591 153 HA ALA 18 HA ALA 18 84.325 11.034 0.299 154 HB1 ALA 18 HB1 ALA 18 86.591 9.832 -0.010 155 HB2 ALA 18 HB2 ALA 18 85.219 9.275 -0.968 156 HB3 ALA 18 HB3 ALA 18 85.723 8.371 0.462 157 H GLN 19 HN GLN 19 82.526 9.786 -0.390 158 HA GLN 19 HA GLN 19 81.237 8.261 1.799 159 HB2 GLN 19 HB2 GLN 19 79.856 9.409 -0.625 160 HB3 GLN 19 HB1 GLN 19 79.147 8.916 0.912 161 HG2 GLN 19 HG2 GLN 19 79.229 11.269 1.065 162 HG3 GLN 19 HG1 GLN 19 80.646 10.742 1.969 163 HE21 GLN 19 HE21 GLN 19 81.938 12.629 1.525 164 HE22 GLN 19 HE22 GLN 19 82.480 13.011 -0.038 165 H ALA 20 HN ALA 20 79.991 6.407 1.282 166 HA ALA 20 HA ALA 20 80.771 5.007 -1.220 167 HB1 ALA 20 HB1 ALA 20 80.489 2.898 0.294 168 HB2 ALA 20 HB2 ALA 20 80.728 4.028 1.629 169 HB3 ALA 20 HB3 ALA 20 81.979 3.827 0.407 170 H CYS 21 HN CYS 21 79.123 4.022 -2.307 171 HA CYS 21 HA CYS 21 76.424 4.162 -1.073 172 HB2 CYS 21 HB2 CYS 21 77.007 5.768 -3.009 173 HB3 CYS 21 HB1 CYS 21 76.911 4.337 -4.034 174 HG CYS 21 HG CYS 21 74.456 4.597 -3.953 175 H PHE 22 HN PHE 22 75.830 2.213 -0.541 176 HA PHE 22 HA PHE 22 76.188 -0.040 -2.459 177 HB2 PHE 22 HB2 PHE 22 75.850 -0.063 0.564 178 HB3 PHE 22 HB1 PHE 22 75.857 -1.500 -0.456 179 HD1 PHE 22 HD1 PHE 22 77.933 -1.868 -1.976 180 HD2 PHE 22 HD2 PHE 22 77.879 0.813 1.382 181 HE1 PHE 22 HE1 PHE 22 80.410 -1.940 -1.877 182 HE2 PHE 22 HE2 PHE 22 80.354 0.743 1.478 183 HZ PHE 22 HZ PHE 22 81.618 -0.637 -0.145 184 H THR 23 HN THR 23 74.277 -0.121 -3.582 185 HA THR 23 HA THR 23 71.774 -0.228 -2.031 186 HB THR 23 HB THR 23 71.916 2.111 -2.693 187 HG1 THR 23 HG1 THR 23 70.234 1.119 -4.667 188 HG21 THR 23 HG21 THR 23 72.245 2.796 -4.978 189 HG22 THR 23 HG22 THR 23 72.173 1.127 -5.546 190 HG23 THR 23 HG23 THR 23 73.544 1.672 -4.578 191 H CYS 24 HN CYS 24 70.060 -1.337 -3.120 192 HA CYS 24 HA CYS 24 70.789 -2.590 -5.703 193 HB2 CYS 24 HB2 CYS 24 70.072 -4.782 -4.864 194 HB3 CYS 24 HB1 CYS 24 71.444 -4.167 -3.943 195 HG CYS 24 HG CYS 24 69.317 -5.070 -2.438 196 H THR 25 HN THR 25 69.266 -1.668 -6.922 197 HA THR 25 HA THR 25 66.572 -1.225 -6.056 198 HB THR 25 HB THR 25 66.185 -0.404 -8.267 199 HG1 THR 25 HG1 THR 25 67.967 -2.323 -8.880 200 HG21 THR 25 HG21 THR 25 67.745 0.912 -6.813 201 HG22 THR 25 HG22 THR 25 68.014 1.165 -8.538 202 HG23 THR 25 HG23 THR 25 69.096 0.118 -7.620 203 H LEU 26 HN LEU 26 65.207 -2.854 -5.703 204 HA LEU 26 HA LEU 26 65.381 -5.308 -7.333 205 HB2 LEU 26 HB2 LEU 26 63.761 -4.782 -4.837 206 HB3 LEU 26 HB1 LEU 26 64.094 -6.343 -5.584 207 HG LEU 26 HG LEU 26 66.173 -4.475 -4.418 208 HD11 LEU 26 HD11 LEU 26 64.958 -5.432 -2.609 209 HD12 LEU 26 HD12 LEU 26 66.398 -6.436 -2.778 210 HD13 LEU 26 HD13 LEU 26 64.849 -6.998 -3.407 211 HD21 LEU 26 HD21 LEU 26 67.308 -5.666 -6.102 212 HD22 LEU 26 HD22 LEU 26 66.310 -7.109 -5.888 213 HD23 LEU 26 HD23 LEU 26 67.544 -6.703 -4.695 214 H SER 27 HN SER 27 62.989 -6.352 -7.221 215 HA SER 27 HA SER 27 61.225 -4.469 -8.679 216 HB2 SER 27 HB2 SER 27 62.030 -7.266 -9.142 217 HB3 SER 27 HB1 SER 27 60.294 -6.990 -9.296 218 HG SER 27 HG SER 27 61.881 -5.052 -10.436 219 H GLU 28 HN GLU 28 61.659 -5.919 -5.743 220 HA GLU 28 HA GLU 28 58.761 -5.783 -5.130 221 HB2 GLU 28 HB2 GLU 28 59.490 -8.161 -5.403 222 HB3 GLU 28 HB1 GLU 28 60.653 -7.914 -4.101 223 HG2 GLU 28 HG2 GLU 28 58.689 -8.896 -3.117 224 HG3 GLU 28 HG1 GLU 28 58.716 -7.205 -2.628 225 H ALA 29 HN ALA 29 58.265 -4.826 -3.230 226 HA ALA 29 HA ALA 29 60.418 -3.474 -1.794 227 HB1 ALA 29 HB1 ALA 29 58.647 -2.231 -0.711 228 HB2 ALA 29 HB2 ALA 29 57.429 -3.347 -1.329 229 HB3 ALA 29 HB3 ALA 29 58.306 -2.295 -2.440 230 H VAL 30 HN VAL 30 61.145 -4.020 0.192 231 HA VAL 30 HA VAL 30 59.908 -6.353 1.517 232 HB VAL 30 HB VAL 30 62.704 -5.225 1.763 233 HG11 VAL 30 HG11 VAL 30 61.460 -7.764 2.866 234 HG12 VAL 30 HG12 VAL 30 61.920 -6.357 3.825 235 HG13 VAL 30 HG13 VAL 30 63.156 -7.308 3.008 236 HG21 VAL 30 HG21 VAL 30 63.326 -7.293 0.540 237 HG22 VAL 30 HG22 VAL 30 62.262 -6.269 -0.424 238 HG23 VAL 30 HG23 VAL 30 61.619 -7.699 0.382 239 HA PRO 31 HA PRO 31 58.697 -3.353 4.660 240 HB2 PRO 31 HB2 PRO 31 58.387 -5.386 6.709 241 HB3 PRO 31 HB1 PRO 31 57.121 -4.534 5.822 242 HG2 PRO 31 HG2 PRO 31 57.925 -7.248 5.542 243 HG3 PRO 31 HG1 PRO 31 56.714 -6.373 4.596 244 HD2 PRO 31 HD2 PRO 31 59.375 -7.219 3.774 245 HD3 PRO 31 HD1 PRO 31 58.094 -6.463 2.798 246 H VAL 32 HN VAL 32 59.372 -4.194 7.495 247 HA VAL 32 HA VAL 32 62.309 -3.754 7.348 248 HB VAL 32 HB VAL 32 60.260 -2.650 9.288 249 HG11 VAL 32 HG11 VAL 32 62.330 -1.549 10.306 250 HG12 VAL 32 HG12 VAL 32 63.282 -2.732 9.407 251 HG13 VAL 32 HG13 VAL 32 62.133 -3.271 10.632 252 HG21 VAL 32 HG21 VAL 32 61.061 -0.493 8.500 253 HG22 VAL 32 HG22 VAL 32 60.581 -1.461 7.107 254 HG23 VAL 32 HG23 VAL 32 62.290 -1.270 7.502 255 H GLY 33 HN GLY 33 63.404 -5.339 8.122 256 HA2 GLY 33 HA2 GLY 33 63.920 -6.697 10.140 257 HA3 GLY 33 HA1 GLY 33 62.219 -7.154 10.159 258 H GLU 34 HN GLU 34 62.145 -7.346 7.171 259 HA GLU 34 HA GLU 34 63.133 -10.083 6.989 260 HB2 GLU 34 HB2 GLU 34 61.520 -8.352 5.111 261 HB3 GLU 34 HB1 GLU 34 62.031 -9.995 4.720 262 HG2 GLU 34 HG2 GLU 34 60.849 -10.850 6.690 263 HG3 GLU 34 HG1 GLU 34 60.379 -9.211 7.139 264 H ALA 35 HN ALA 35 64.280 -6.983 6.287 265 HA ALA 35 HA ALA 35 66.150 -7.948 4.202 266 HB1 ALA 35 HB1 ALA 35 65.083 -5.968 3.460 267 HB2 ALA 35 HB2 ALA 35 66.657 -5.431 4.046 268 HB3 ALA 35 HB3 ALA 35 65.220 -5.202 5.042 269 H SER 36 HN SER 36 68.355 -7.938 4.563 270 HA SER 36 HA SER 36 69.245 -7.239 7.311 271 HB2 SER 36 HB2 SER 36 70.270 -9.409 5.468 272 HB3 SER 36 HB1 SER 36 70.916 -9.025 7.062 273 HG SER 36 HG SER 36 68.653 -10.403 6.346 274 H TRP 37 HN TRP 37 70.712 -5.713 7.481 275 HA TRP 37 HA TRP 37 72.663 -5.265 5.314 276 HB2 TRP 37 HB2 TRP 37 70.771 -3.225 6.485 277 HB3 TRP 37 HB1 TRP 37 72.328 -2.737 5.821 278 HD1 TRP 37 HD1 TRP 37 68.955 -4.206 4.807 279 HE1 TRP 37 HE1 TRP 37 68.719 -4.037 2.244 280 HE3 TRP 37 HE3 TRP 37 73.657 -2.630 3.585 281 HZ2 TRP 37 HZ2 TRP 37 70.313 -3.324 -0.022 282 HZ3 TRP 37 HZ3 TRP 37 74.270 -2.214 1.220 283 HH2 TRP 37 HH2 TRP 37 72.605 -2.559 -0.585 284 H TYR 38 HN TYR 38 74.604 -5.414 6.173 285 HA TYR 38 HA TYR 38 75.293 -3.993 8.590 286 HB2 TYR 38 HB2 TYR 38 75.531 -7.006 8.569 287 HB3 TYR 38 HB1 TYR 38 76.193 -5.926 9.802 288 HD1 TYR 38 HD2 TYR 38 74.657 -4.577 11.231 289 HD2 TYR 38 HD1 TYR 38 73.196 -7.570 8.518 290 HE1 TYR 38 HE2 TYR 38 72.483 -4.592 12.422 291 HE2 TYR 38 HE1 TYR 38 71.018 -7.589 9.711 292 HH TYR 38 HH TYR 38 70.005 -5.231 11.707 293 H ILE 39 HN ILE 39 77.506 -3.844 8.946 294 HA ILE 39 HA ILE 39 79.249 -4.809 6.763 295 HB ILE 39 HB ILE 39 80.578 -2.638 7.312 296 HG12 ILE 39 HG12 ILE 39 78.791 -2.243 9.287 297 HG13 ILE 39 HG11 ILE 39 79.543 -0.893 8.446 298 HG21 ILE 39 HG21 ILE 39 79.085 -1.318 5.725 299 HG22 ILE 39 HG22 ILE 39 77.985 -2.696 5.766 300 HG23 ILE 39 HG23 ILE 39 79.626 -2.896 5.151 301 HD11 ILE 39 HD11 ILE 39 77.006 -0.777 8.721 302 HD12 ILE 39 HD12 ILE 39 76.912 -2.087 7.547 303 HD13 ILE 39 HD13 ILE 39 77.617 -0.540 7.085 304 H ASN 40 HN ASN 40 80.782 -6.212 7.639 305 HA ASN 40 HA ASN 40 81.027 -6.638 10.373 306 HB2 ASN 40 HB2 ASN 40 82.920 -7.186 8.079 307 HB3 ASN 40 HB1 ASN 40 83.204 -7.749 9.726 308 HD21 ASN 40 HD21 ASN 40 82.748 -9.522 7.446 309 HD22 ASN 40 HD22 ASN 40 81.305 -10.361 7.752 310 H GLY 41 HN GLY 41 81.647 -5.213 11.811 311 HA2 GLY 41 HA2 GLY 41 83.709 -4.154 12.740 312 HA3 GLY 41 HA1 GLY 41 83.872 -3.351 11.180 313 H ALA 42 HN ALA 42 80.612 -3.559 11.724 314 HA ALA 42 HA ALA 42 80.268 -1.433 13.623 315 HB1 ALA 42 HB1 ALA 42 81.199 -0.278 11.533 316 HB2 ALA 42 HB2 ALA 42 79.695 0.363 12.196 317 HB3 ALA 42 HB3 ALA 42 79.657 -0.671 10.770 318 H ALA 43 HN ALA 43 78.536 -2.329 14.575 319 HA ALA 43 HA ALA 43 76.529 -3.803 13.173 320 HB1 ALA 43 HB1 ALA 43 76.749 -2.706 15.973 321 HB2 ALA 43 HB2 ALA 43 76.796 -4.386 15.444 322 HB3 ALA 43 HB3 ALA 43 75.276 -3.496 15.410 323 H VAL 44 HN VAL 44 74.528 -3.174 12.445 324 HA VAL 44 HA VAL 44 74.114 -0.283 12.164 325 HB VAL 44 HB VAL 44 72.633 -2.616 10.931 326 HG11 VAL 44 HG11 VAL 44 71.777 -0.913 9.366 327 HG12 VAL 44 HG12 VAL 44 72.621 0.344 10.264 328 HG13 VAL 44 HG13 VAL 44 71.292 -0.538 11.019 329 HG21 VAL 44 HG21 VAL 44 73.949 -2.132 8.943 330 HG22 VAL 44 HG22 VAL 44 75.046 -2.417 10.297 331 HG23 VAL 44 HG23 VAL 44 74.728 -0.772 9.749 332 H GLN 45 HN GLN 45 73.293 0.452 14.080 333 HA GLN 45 HA GLN 45 70.847 -0.823 15.151 334 HB2 GLN 45 HB2 GLN 45 71.364 0.987 17.029 335 HB3 GLN 45 HB1 GLN 45 72.260 -0.530 16.979 336 HG2 GLN 45 HG2 GLN 45 74.104 0.513 15.815 337 HG3 GLN 45 HG1 GLN 45 73.198 2.014 15.635 338 HE21 GLN 45 HE21 GLN 45 75.799 1.411 17.148 339 HE22 GLN 45 HE22 GLN 45 75.507 1.989 18.717 340 HA PRO 46 HA PRO 46 68.245 2.294 13.440 341 HB2 PRO 46 HB2 PRO 46 66.878 3.027 15.884 342 HB3 PRO 46 HB1 PRO 46 66.299 1.969 14.587 343 HG2 PRO 46 HG2 PRO 46 67.367 1.255 17.207 344 HG3 PRO 46 HG1 PRO 46 66.489 0.251 16.046 345 HD2 PRO 46 HD2 PRO 46 69.211 0.008 16.628 346 HD3 PRO 46 HD1 PRO 46 68.427 -0.617 15.163 347 H ASP 47 HN ASP 47 70.249 2.897 16.189 348 HA ASP 47 HA ASP 47 70.021 5.821 15.951 349 HB2 ASP 47 HB2 ASP 47 71.492 4.083 17.943 350 HB3 ASP 47 HB1 ASP 47 71.376 5.842 18.008 351 H ASP 48 HN ASP 48 71.705 3.619 14.244 352 HA ASP 48 HA ASP 48 74.383 4.051 14.431 353 HB2 ASP 48 HB2 ASP 48 72.743 3.962 11.894 354 HB3 ASP 48 HB1 ASP 48 74.503 3.873 11.940 355 H SER 49 HN SER 49 75.474 5.822 14.761 356 HA SER 49 HA SER 49 74.542 8.431 14.095 357 HB2 SER 49 HB2 SER 49 76.109 7.779 15.998 358 HB3 SER 49 HB1 SER 49 77.386 7.714 14.788 359 HG SER 49 HG SER 49 75.688 9.952 14.930 360 H ASP 50 HN ASP 50 77.067 6.338 12.681 361 HA ASP 50 HA ASP 50 77.518 8.327 10.557 362 HB2 ASP 50 HB2 ASP 50 79.014 5.754 11.045 363 HB3 ASP 50 HB1 ASP 50 79.514 7.127 10.060 364 H TRP 51 HN TRP 51 76.366 4.964 10.895 365 HA TRP 51 HA TRP 51 76.118 4.717 7.977 366 HB2 TRP 51 HB2 TRP 51 75.501 2.793 10.229 367 HB3 TRP 51 HB1 TRP 51 75.216 2.438 8.536 368 HD1 TRP 51 HD1 TRP 51 77.904 2.584 11.144 369 HE1 TRP 51 HE1 TRP 51 80.119 1.788 10.125 370 HE3 TRP 51 HE3 TRP 51 76.582 2.445 6.240 371 HZ2 TRP 51 HZ2 TRP 51 81.202 1.153 7.540 372 HZ3 TRP 51 HZ3 TRP 51 78.220 1.735 4.508 373 HH2 TRP 51 HH2 TRP 51 80.522 1.089 5.154 374 H THR 52 HN THR 52 74.223 4.761 6.836 375 HA THR 52 HA THR 52 71.706 5.086 8.381 376 HB THR 52 HB THR 52 72.479 6.560 5.862 377 HG1 THR 52 HG1 THR 52 72.235 8.358 7.265 378 HG21 THR 52 HG21 THR 52 69.901 6.309 7.402 379 HG22 THR 52 HG22 THR 52 70.169 6.110 5.669 380 HG23 THR 52 HG23 THR 52 70.239 7.717 6.393 381 H VAL 53 HN VAL 53 70.092 3.758 7.822 382 HA VAL 53 HA VAL 53 70.293 2.280 5.264 383 HB VAL 53 HB VAL 53 71.046 0.741 6.964 384 HG11 VAL 53 HG11 VAL 53 70.121 2.050 8.897 385 HG12 VAL 53 HG12 VAL 53 69.818 0.318 9.013 386 HG13 VAL 53 HG13 VAL 53 68.525 1.403 8.512 387 HG21 VAL 53 HG21 VAL 53 68.102 0.137 6.592 388 HG22 VAL 53 HG22 VAL 53 69.433 -1.011 6.735 389 HG23 VAL 53 HG23 VAL 53 69.275 -0.022 5.285 390 H THR 54 HN THR 54 68.466 2.321 4.127 391 HA THR 54 HA THR 54 65.884 2.727 5.462 392 HB THR 54 HB THR 54 65.329 4.546 3.923 393 HG1 THR 54 HG1 THR 54 67.042 3.769 2.408 394 HG21 THR 54 HG21 THR 54 66.506 6.264 5.056 395 HG22 THR 54 HG22 THR 54 67.915 5.233 5.301 396 HG23 THR 54 HG23 THR 54 66.429 4.924 6.200 397 H ALA 55 HN ALA 55 64.081 2.156 4.160 398 HA ALA 55 HA ALA 55 64.740 0.650 1.686 399 HB1 ALA 55 HB1 ALA 55 62.836 -0.102 3.913 400 HB2 ALA 55 HB2 ALA 55 64.276 -0.980 3.399 401 HB3 ALA 55 HB3 ALA 55 62.870 -0.894 2.338 402 H ASP 56 HN ASP 56 64.076 2.172 0.238 403 HA ASP 56 HA ASP 56 61.370 3.323 0.521 404 HB2 ASP 56 HB2 ASP 56 63.742 4.039 -1.208 405 HB3 ASP 56 HB1 ASP 56 62.143 4.743 -1.440 406 H GLY 57 HN GLY 57 59.825 2.092 -0.355 407 HA2 GLY 57 HA2 GLY 57 58.713 0.703 -1.822 408 HA3 GLY 57 HA1 GLY 57 59.553 1.624 -3.067 409 H SER 58 HN SER 58 60.402 0.229 -4.476 410 HA SER 58 HA SER 58 61.473 -2.349 -3.568 411 HB2 SER 58 HB2 SER 58 61.063 -1.223 -6.348 412 HB3 SER 58 HB1 SER 58 61.622 -2.852 -5.982 413 HG SER 58 HG SER 58 59.337 -2.701 -6.338 414 H HIS 59 HN HIS 59 63.009 -0.273 -2.629 415 HA HIS 59 HA HIS 59 65.539 -0.762 -4.021 416 HB2 HIS 59 HB2 HIS 59 64.769 2.075 -3.345 417 HB3 HIS 59 HB1 HIS 59 66.109 1.510 -4.342 418 HD1 HIS 59 HD1 HIS 59 65.303 0.176 -6.612 419 HD2 HIS 59 HD2 HIS 59 62.506 2.685 -4.806 420 HE1 HIS 59 HE1 HIS 59 63.514 0.625 -8.349 421 H HIS 60 HN HIS 60 67.333 -0.674 -2.676 422 HA HIS 60 HA HIS 60 66.824 0.052 0.165 423 HB2 HIS 60 HB2 HIS 60 68.426 -2.273 -0.930 424 HB3 HIS 60 HB1 HIS 60 68.431 -1.764 0.760 425 HD1 HIS 60 HD1 HIS 60 65.343 -1.059 0.877 426 HD2 HIS 60 HD2 HIS 60 66.950 -4.649 -0.510 427 HE1 HIS 60 HE1 HIS 60 63.517 -2.799 1.109 428 H ALA 61 HN ALA 61 68.249 1.466 1.018 429 HA ALA 61 HA ALA 61 70.781 1.948 -0.463 430 HB1 ALA 61 HB1 ALA 61 70.516 4.283 -0.263 431 HB2 ALA 61 HB2 ALA 61 69.218 4.125 0.921 432 HB3 ALA 61 HB3 ALA 61 68.928 3.706 -0.767 433 H LEU 62 HN LEU 62 72.539 1.915 0.708 434 HA LEU 62 HA LEU 62 72.469 2.447 3.591 435 HB2 LEU 62 HB2 LEU 62 72.291 0.012 3.417 436 HB3 LEU 62 HB1 LEU 62 73.637 -0.039 2.296 437 HG LEU 62 HG LEU 62 74.076 -0.659 4.779 438 HD11 LEU 62 HD11 LEU 62 75.981 1.500 3.949 439 HD12 LEU 62 HD12 LEU 62 75.802 0.089 2.908 440 HD13 LEU 62 HD13 LEU 62 76.301 -0.109 4.583 441 HD21 LEU 62 HD21 LEU 62 72.833 1.400 5.615 442 HD22 LEU 62 HD22 LEU 62 74.236 2.342 5.110 443 HD23 LEU 62 HD23 LEU 62 74.407 1.101 6.348 444 H LEU 63 HN LEU 63 73.882 4.123 3.820 445 HA LEU 63 HA LEU 63 76.483 3.898 2.409 446 HB2 LEU 63 HB2 LEU 63 76.123 6.546 2.054 447 HB3 LEU 63 HB1 LEU 63 75.623 5.350 0.852 448 HG LEU 63 HG LEU 63 73.341 5.348 1.799 449 HD11 LEU 63 HD11 LEU 63 72.891 7.278 3.463 450 HD12 LEU 63 HD12 LEU 63 74.636 7.269 3.737 451 HD13 LEU 63 HD13 LEU 63 73.679 5.835 4.085 452 HD21 LEU 63 HD21 LEU 63 74.416 8.125 1.213 453 HD22 LEU 63 HD22 LEU 63 72.723 7.639 1.110 454 HD23 LEU 63 HD23 LEU 63 73.910 6.947 0.003 455 H LEU 64 HN LEU 64 78.138 5.068 3.156 456 HA LEU 64 HA LEU 64 77.961 6.039 5.938 457 HB2 LEU 64 HB2 LEU 64 79.543 4.131 5.448 458 HB3 LEU 64 HB1 LEU 64 80.414 5.197 4.354 459 HG LEU 64 HG LEU 64 80.894 6.737 6.214 460 HD11 LEU 64 HD11 LEU 64 80.421 5.586 8.577 461 HD12 LEU 64 HD12 LEU 64 79.087 4.846 7.693 462 HD13 LEU 64 HD13 LEU 64 79.207 6.602 7.802 463 HD21 LEU 64 HD21 LEU 64 81.613 3.817 6.559 464 HD22 LEU 64 HD22 LEU 64 82.311 5.077 7.577 465 HD23 LEU 64 HD23 LEU 64 82.583 5.101 5.835 466 H ARG 65 HN ARG 65 78.282 8.219 6.245 467 HA ARG 65 HA ARG 65 78.495 9.888 3.974 468 HB2 ARG 65 HB2 ARG 65 78.703 10.418 6.940 469 HB3 ARG 65 HB1 ARG 65 78.801 11.702 5.732 470 HG2 ARG 65 HG2 ARG 65 76.595 11.058 4.850 471 HG3 ARG 65 HG1 ARG 65 76.497 9.749 6.027 472 HD2 ARG 65 HD2 ARG 65 76.591 11.382 7.866 473 HD3 ARG 65 HD1 ARG 65 76.724 12.694 6.700 474 HE ARG 65 HE ARG 65 74.445 12.435 6.184 475 HH11 ARG 65 HH21 ARG 65 74.374 9.393 6.188 476 HH12 ARG 65 HH22 ARG 65 73.326 9.071 7.529 477 HH21 ARG 65 HH11 ARG 65 73.604 12.263 8.855 478 HH22 ARG 65 HH12 ARG 65 72.894 10.695 9.043 479 H SER 66 HN SER 66 80.588 11.040 6.434 480 HA SER 66 HA SER 66 82.847 10.929 4.594 481 HB2 SER 66 HB2 SER 66 84.028 12.198 6.411 482 HB3 SER 66 HB1 SER 66 82.586 12.995 5.780 483 HG SER 66 HG SER 66 82.937 11.584 8.206 484 H ALA 67 HN ALA 67 83.902 9.075 4.474 485 HA ALA 67 HA ALA 67 84.016 7.150 6.564 486 HB1 ALA 67 HB1 ALA 67 84.760 5.816 4.876 487 HB2 ALA 67 HB2 ALA 67 86.093 6.913 4.490 488 HB3 ALA 67 HB3 ALA 67 84.487 7.200 3.826 489 H GLN 68 HN GLN 68 85.590 6.714 8.051 490 HA GLN 68 HA GLN 68 87.982 8.457 8.101 491 HB2 GLN 68 HB2 GLN 68 86.145 7.746 10.395 492 HB3 GLN 68 HB1 GLN 68 87.734 8.479 10.607 493 HG2 GLN 68 HG2 GLN 68 87.048 10.398 9.229 494 HG3 GLN 68 HG1 GLN 68 85.467 9.661 8.980 495 HE21 GLN 68 HE21 GLN 68 85.548 12.189 10.181 496 HE22 GLN 68 HE22 GLN 68 85.152 12.056 11.827 497 HA PRO 69 HA PRO 69 90.228 4.627 8.294 498 HB2 PRO 69 HB2 PRO 69 92.070 5.470 10.370 499 HB3 PRO 69 HB1 PRO 69 92.365 5.338 8.630 500 HG2 PRO 69 HG2 PRO 69 91.826 7.719 10.234 501 HG3 PRO 69 HG1 PRO 69 92.471 7.598 8.591 502 HD2 PRO 69 HD2 PRO 69 89.936 8.529 9.216 503 HD3 PRO 69 HD1 PRO 69 90.392 7.875 7.628 504 H HIS 70 HN HIS 70 88.488 3.447 9.205 505 HA HIS 70 HA HIS 70 88.889 1.967 11.448 506 HB2 HIS 70 HB2 HIS 70 87.850 4.662 12.154 507 HB3 HIS 70 HB1 HIS 70 86.967 3.331 12.891 508 HD1 HIS 70 HD1 HIS 70 89.772 5.437 13.533 509 HD2 HIS 70 HD2 HIS 70 89.014 1.382 14.126 510 HE1 HIS 70 HE1 HIS 70 91.432 4.646 15.274 511 H HIS 71 HN HIS 71 86.698 3.538 9.293 512 HA HIS 71 HA HIS 71 84.397 1.917 9.916 513 HB2 HIS 71 HB2 HIS 71 83.430 2.956 7.893 514 HB3 HIS 71 HB1 HIS 71 84.119 4.160 8.983 515 HD1 HIS 71 HD1 HIS 71 86.159 5.466 8.183 516 HD2 HIS 71 HD2 HIS 71 85.003 2.491 5.509 517 HE1 HIS 71 HE1 HIS 71 87.526 5.824 6.085 518 H ALA 72 HN ALA 72 87.250 1.389 8.123 519 HA ALA 72 HA ALA 72 86.513 -0.071 5.916 520 HB1 ALA 72 HB1 ALA 72 88.862 0.370 6.600 521 HB2 ALA 72 HB2 ALA 72 88.590 -1.315 6.155 522 HB3 ALA 72 HB3 ALA 72 88.700 -0.860 7.856 523 H GLY 73 HN GLY 73 85.986 -2.238 5.483 524 HA2 GLY 73 HA2 GLY 73 85.843 -4.372 7.214 525 HA3 GLY 73 HA1 GLY 73 84.348 -3.487 7.496 526 H GLU 74 HN GLU 74 83.760 -5.835 6.676 527 HA GLU 74 HA GLU 74 83.661 -5.948 3.730 528 HB2 GLU 74 HB2 GLU 74 82.898 -7.961 5.864 529 HB3 GLU 74 HB1 GLU 74 82.687 -8.225 4.132 530 HG2 GLU 74 HG2 GLU 74 85.104 -7.925 3.777 531 HG3 GLU 74 HG1 GLU 74 85.328 -7.621 5.499 532 H VAL 75 HN VAL 75 81.661 -6.099 2.600 533 HA VAL 75 HA VAL 75 79.339 -5.018 4.115 534 HB VAL 75 HB VAL 75 79.622 -4.859 1.122 535 HG11 VAL 75 HG11 VAL 75 78.221 -2.875 1.438 536 HG12 VAL 75 HG12 VAL 75 78.317 -3.068 3.191 537 HG13 VAL 75 HG13 VAL 75 77.477 -4.274 2.214 538 HG21 VAL 75 HG21 VAL 75 80.726 -2.684 1.359 539 HG22 VAL 75 HG22 VAL 75 81.726 -3.944 2.074 540 HG23 VAL 75 HG23 VAL 75 80.775 -2.880 3.111 541 H THR 76 HN THR 76 77.957 -6.634 4.583 542 HA THR 76 HA THR 76 77.273 -8.557 2.423 543 HB THR 76 HB THR 76 77.504 -9.082 5.392 544 HG1 THR 76 HG1 THR 76 79.141 -9.352 3.223 545 HG21 THR 76 HG21 THR 76 77.118 -11.493 4.506 546 HG22 THR 76 HG22 THR 76 76.426 -10.705 3.088 547 HG23 THR 76 HG23 THR 76 75.715 -10.440 4.682 548 H PHE 77 HN PHE 77 75.258 -8.539 1.833 549 HA PHE 77 HA PHE 77 73.103 -7.918 3.731 550 HB2 PHE 77 HB2 PHE 77 72.779 -5.852 2.830 551 HB3 PHE 77 HB1 PHE 77 74.049 -6.134 1.647 552 HD1 PHE 77 HD1 PHE 77 70.484 -7.148 2.310 553 HD2 PHE 77 HD2 PHE 77 73.455 -6.102 -0.612 554 HE1 PHE 77 HE1 PHE 77 68.776 -7.294 0.515 555 HE2 PHE 77 HE2 PHE 77 71.751 -6.247 -2.404 556 HZ PHE 77 HZ PHE 77 69.410 -6.843 -1.842 557 H ALA 78 HN ALA 78 71.232 -9.022 3.288 558 HA ALA 78 HA ALA 78 70.890 -10.429 0.778 559 HB1 ALA 78 HB1 ALA 78 70.757 -12.667 1.879 560 HB2 ALA 78 HB2 ALA 78 71.417 -11.946 3.346 561 HB3 ALA 78 HB3 ALA 78 72.385 -11.990 1.872 562 H CYS 79 HN CYS 79 68.807 -11.382 0.589 563 HA CYS 79 HA CYS 79 66.902 -11.081 2.753 564 HB2 CYS 79 HB2 CYS 79 67.170 -8.799 1.582 565 HB3 CYS 79 HB1 CYS 79 66.342 -9.554 0.217 566 HG CYS 79 HG CYS 79 64.215 -9.239 1.438 567 H ARG 80 HN ARG 80 64.940 -10.799 0.298 568 HA ARG 80 HA ARG 80 64.184 -13.499 0.219 569 HB2 ARG 80 HB2 ARG 80 63.324 -12.180 -2.224 570 HB3 ARG 80 HB1 ARG 80 62.362 -12.644 -0.828 571 HG2 ARG 80 HG2 ARG 80 62.077 -10.305 -1.019 572 HG3 ARG 80 HG1 ARG 80 63.237 -10.492 0.290 573 HD2 ARG 80 HD2 ARG 80 64.216 -8.824 -1.049 574 HD3 ARG 80 HD1 ARG 80 65.038 -10.282 -1.596 575 HE ARG 80 HE ARG 80 62.681 -9.178 -3.028 576 HH11 ARG 80 HH11 ARG 80 64.752 -11.658 -3.453 577 HH12 ARG 80 HH12 ARG 80 65.450 -11.132 -4.948 578 HH21 ARG 80 HH21 ARG 80 64.075 -7.958 -4.776 579 HH22 ARG 80 HH22 ARG 80 65.068 -9.039 -5.695 580 H ASP 81 HN ASP 81 66.020 -14.740 -0.189 581 HA ASP 81 HA ASP 81 67.675 -15.768 -1.430 582 HB2 ASP 81 HB2 ASP 81 65.452 -15.387 -3.441 583 HB3 ASP 81 HB1 ASP 81 66.903 -16.327 -3.782 584 H ALA 82 HN ALA 82 67.360 -12.632 -1.569 585 HA ALA 82 HA ALA 82 68.970 -12.164 -3.997 586 HB1 ALA 82 HB1 ALA 82 67.254 -10.542 -3.835 587 HB2 ALA 82 HB2 ALA 82 68.695 -9.716 -3.240 588 HB3 ALA 82 HB3 ALA 82 67.498 -10.333 -2.100 589 H VAL 83 HN VAL 83 70.566 -13.556 -2.732 590 HA VAL 83 HA VAL 83 71.980 -12.284 -0.563 591 HB VAL 83 HB VAL 83 72.600 -14.732 -2.239 592 HG11 VAL 83 HG11 VAL 83 74.178 -15.264 -0.357 593 HG12 VAL 83 HG12 VAL 83 73.901 -13.642 0.277 594 HG13 VAL 83 HG13 VAL 83 74.670 -13.856 -1.296 595 HG21 VAL 83 HG21 VAL 83 71.828 -15.969 -0.272 596 HG22 VAL 83 HG22 VAL 83 70.556 -14.883 -0.834 597 HG23 VAL 83 HG23 VAL 83 71.520 -14.456 0.581 598 H ALA 84 HN ALA 84 73.661 -10.936 -0.721 599 HA ALA 84 HA ALA 84 75.447 -10.911 -2.999 600 HB1 ALA 84 HB1 ALA 84 74.904 -8.478 -3.481 601 HB2 ALA 84 HB2 ALA 84 73.455 -8.691 -2.504 602 HB3 ALA 84 HB3 ALA 84 73.667 -9.630 -3.985 603 H SER 85 HN SER 85 77.411 -9.826 -2.484 604 HA SER 85 HA SER 85 77.522 -8.155 -0.086 605 HB2 SER 85 HB2 SER 85 79.102 -10.730 -0.242 606 HB3 SER 85 HB1 SER 85 79.176 -9.534 1.050 607 HG SER 85 HG SER 85 76.846 -10.949 0.240 608 H ALA 86 HN ALA 86 79.022 -6.579 -0.286 609 HA ALA 86 HA ALA 86 80.956 -6.752 -2.502 610 HB1 ALA 86 HB1 ALA 86 80.850 -4.430 -2.653 611 HB2 ALA 86 HB2 ALA 86 80.328 -4.238 -0.984 612 HB3 ALA 86 HB3 ALA 86 79.200 -4.840 -2.194 613 H ARG 87 HN ARG 87 82.538 -4.628 -1.586 614 HA ARG 87 HA ARG 87 83.799 -5.524 0.905 615 HB2 ARG 87 HB2 ARG 87 86.063 -5.404 -0.332 616 HB3 ARG 87 HB1 ARG 87 85.081 -6.849 -0.570 617 HG2 ARG 87 HG2 ARG 87 84.210 -5.952 -2.674 618 HG3 ARG 87 HG1 ARG 87 85.108 -4.453 -2.430 619 HD2 ARG 87 HD2 ARG 87 86.344 -5.907 -3.953 620 HD3 ARG 87 HD1 ARG 87 87.226 -5.749 -2.436 621 HE ARG 87 HE ARG 87 85.506 -8.019 -2.359 622 HH11 ARG 87 HH11 ARG 87 87.879 -7.156 -4.602 623 HH12 ARG 87 HH12 ARG 87 88.866 -8.558 -4.361 624 HH21 ARG 87 HH21 ARG 87 87.035 -9.704 -1.648 625 HH22 ARG 87 HH22 ARG 87 88.390 -10.003 -2.686 626 H LEU 88 HN LEU 88 84.412 -3.800 2.069 627 HA LEU 88 HA LEU 88 84.688 -1.178 0.702 628 HB2 LEU 88 HB2 LEU 88 82.696 -1.294 2.123 629 HB3 LEU 88 HB1 LEU 88 83.682 -1.809 3.488 630 HG LEU 88 HG LEU 88 84.880 0.330 3.468 631 HD11 LEU 88 HD11 LEU 88 84.975 1.055 1.240 632 HD12 LEU 88 HD12 LEU 88 83.778 2.149 1.928 633 HD13 LEU 88 HD13 LEU 88 83.256 0.765 0.966 634 HD21 LEU 88 HD21 LEU 88 81.904 0.860 3.282 635 HD22 LEU 88 HD22 LEU 88 83.087 1.709 4.279 636 HD23 LEU 88 HD23 LEU 88 82.652 0.041 4.655 637 H THR 89 HN THR 89 86.643 -0.229 0.849 638 HA THR 89 HA THR 89 88.359 -0.829 3.181 639 HB THR 89 HB THR 89 89.111 -2.360 1.484 640 HG1 THR 89 HG1 THR 89 90.827 -0.110 1.454 641 HG21 THR 89 HG21 THR 89 88.250 -1.470 -0.534 642 HG22 THR 89 HG22 THR 89 90.001 -1.348 -0.701 643 HG23 THR 89 HG23 THR 89 89.054 0.080 -0.289 644 H VAL 90 HN VAL 90 89.840 0.795 3.735 645 HA VAL 90 HA VAL 90 89.401 3.395 2.355 646 HB VAL 90 HB VAL 90 88.539 3.137 4.723 647 HG11 VAL 90 HG11 VAL 90 90.625 1.786 5.405 648 HG12 VAL 90 HG12 VAL 90 90.046 3.004 6.542 649 HG13 VAL 90 HG13 VAL 90 91.442 3.344 5.520 650 HG21 VAL 90 HG21 VAL 90 88.780 5.362 4.011 651 HG22 VAL 90 HG22 VAL 90 90.533 5.230 3.864 652 HG23 VAL 90 HG23 VAL 90 89.785 5.324 5.458 653 H LEU 91 HN LEU 91 91.078 4.339 1.455 654 HA LEU 91 HA LEU 91 93.769 3.239 1.836 655 HB2 LEU 91 HB2 LEU 91 92.905 3.617 -0.456 656 HB3 LEU 91 HB1 LEU 91 92.735 5.332 -0.100 657 HG LEU 91 HG LEU 91 95.187 5.461 0.332 658 HD11 LEU 91 HD11 LEU 91 94.986 2.520 -0.293 659 HD12 LEU 91 HD12 LEU 91 95.914 3.331 0.970 660 HD13 LEU 91 HD13 LEU 91 96.461 3.395 -0.701 661 HD21 LEU 91 HD21 LEU 91 94.535 6.116 -1.848 662 HD22 LEU 91 HD22 LEU 91 94.164 4.461 -2.331 663 HD23 LEU 91 HD23 LEU 91 95.842 4.963 -2.120 664 H GLY 92 HN GLY 92 95.200 4.170 3.154 665 HA2 GLY 92 HA2 GLY 92 94.768 6.988 4.000 666 HA3 GLY 92 HA1 GLY 92 95.441 5.735 5.035 667 H LEU 93 HN LEU 93 97.496 4.677 4.115 668 HA LEU 93 HA LEU 93 99.254 6.799 3.073 669 HB2 LEU 93 HB2 LEU 93 101.009 5.032 4.116 670 HB3 LEU 93 HB1 LEU 93 100.245 6.278 5.098 671 HG LEU 93 HG LEU 93 98.487 4.648 5.766 672 HD11 LEU 93 HD11 LEU 93 100.088 2.870 3.922 673 HD12 LEU 93 HD12 LEU 93 98.340 3.089 4.003 674 HD13 LEU 93 HD13 LEU 93 99.170 2.176 5.258 675 HD21 LEU 93 HD21 LEU 93 100.391 4.894 7.228 676 HD22 LEU 93 HD22 LEU 93 101.380 3.855 6.202 677 HD23 LEU 93 HD23 LEU 93 100.035 3.171 7.113 678 HA PRO 94 HA PRO 94 100.135 4.701 -0.671 679 HB2 PRO 94 HB2 PRO 94 102.954 4.233 -0.199 680 HB3 PRO 94 HB1 PRO 94 102.208 5.468 -1.220 681 HG2 PRO 94 HG2 PRO 94 103.303 5.705 1.491 682 HG3 PRO 94 HG1 PRO 94 102.976 6.970 0.296 683 HD2 PRO 94 HD2 PRO 94 101.484 6.645 2.562 684 HD3 PRO 94 HD1 PRO 94 100.817 7.319 1.061 685 H ASP 95 HN ASP 95 100.764 2.601 -1.531 686 HA ASP 95 HA ASP 95 99.973 0.444 0.075 687 HB2 ASP 95 HB2 ASP 95 101.525 0.527 -2.516 688 HB3 ASP 95 HB1 ASP 95 100.957 -0.970 -1.779 689 H GLY 96 HN GLY 96 102.894 2.119 0.103 690 HA2 GLY 96 HA2 GLY 96 104.779 1.791 1.404 691 HA3 GLY 96 HA1 GLY 96 104.059 0.298 1.995 692 H LEU 97 HN LEU 97 104.866 1.297 -1.324 693 HA LEU 97 HA LEU 97 105.961 -1.239 -2.001 694 HB2 LEU 97 HB2 LEU 97 106.143 1.470 -3.322 695 HB3 LEU 97 HB1 LEU 97 106.788 -0.001 -4.043 696 HG LEU 97 HG LEU 97 103.899 0.298 -3.162 697 HD11 LEU 97 HD11 LEU 97 104.630 1.895 -5.019 698 HD12 LEU 97 HD12 LEU 97 103.300 0.811 -5.413 699 HD13 LEU 97 HD13 LEU 97 104.923 0.461 -6.004 700 HD21 LEU 97 HD21 LEU 97 104.264 -2.003 -3.347 701 HD22 LEU 97 HD22 LEU 97 105.496 -1.822 -4.593 702 HD23 LEU 97 HD23 LEU 97 103.795 -1.624 -5.001 703 H GLU 98 HN GLU 98 108.012 -1.995 -1.977 704 HA GLU 98 HA GLU 98 109.950 -0.702 -0.323 705 HB2 GLU 98 HB2 GLU 98 110.173 -3.099 -2.161 706 HB3 GLU 98 HB1 GLU 98 111.421 -2.591 -1.026 707 HG2 GLU 98 HG2 GLU 98 108.582 -3.309 -0.246 708 HG3 GLU 98 HG1 GLU 98 109.961 -4.397 -0.108 709 H HIS 99 HN HIS 99 111.443 0.748 -0.860 710 HA HIS 99 HA HIS 99 112.852 0.753 -3.329 711 HB2 HIS 99 HB2 HIS 99 110.695 1.633 -4.152 712 HB3 HIS 99 HB1 HIS 99 110.795 2.945 -2.979 713 HD1 HIS 99 HD1 HIS 99 112.915 1.499 -5.809 714 HD2 HIS 99 HD2 HIS 99 112.120 5.152 -3.962 715 HE1 HIS 99 HE1 HIS 99 114.185 3.256 -7.120 716 H HIS 100 HN HIS 100 113.279 0.912 -0.435 717 HA HIS 100 HA HIS 100 114.066 3.542 0.303 718 HB2 HIS 100 HB2 HIS 100 114.737 0.800 1.367 719 HB3 HIS 100 HB1 HIS 100 115.434 2.262 2.061 720 HD1 HIS 100 HD1 HIS 100 113.611 4.103 2.883 721 HD2 HIS 100 HD2 HIS 100 112.170 0.239 2.276 722 HE1 HIS 100 HE1 HIS 100 111.394 3.969 4.097 723 H HIS 101 HN HIS 101 115.904 0.765 -0.975 724 HA HIS 101 HA HIS 101 118.396 2.187 -0.932 725 HB2 HIS 101 HB2 HIS 101 119.204 0.247 -2.309 726 HB3 HIS 101 HB1 HIS 101 118.470 -0.207 -0.772 727 HD1 HIS 101 HD1 HIS 101 115.895 -1.004 -0.917 728 HD2 HIS 101 HD2 HIS 101 117.954 -0.858 -4.539 729 HE1 HIS 101 HE1 HIS 101 114.540 -2.369 -2.567 730 H HIS 102 HN HIS 102 118.995 3.710 -2.270 731 HA HIS 102 HA HIS 102 117.530 4.341 -4.654 732 HB2 HIS 102 HB2 HIS 102 118.547 6.102 -3.297 733 HB3 HIS 102 HB1 HIS 102 120.149 5.423 -3.585 734 HD1 HIS 102 HD1 HIS 102 117.303 7.141 -5.394 735 HD2 HIS 102 HD2 HIS 102 121.279 6.081 -6.074 736 HE1 HIS 102 HE1 HIS 102 117.980 8.251 -7.567 737 H HIS 103 HN HIS 103 120.219 2.331 -3.922 738 HA HIS 103 HA HIS 103 121.801 2.393 -6.171 739 HB2 HIS 103 HB2 HIS 103 120.873 -0.054 -4.648 740 HB3 HIS 103 HB1 HIS 103 122.252 -0.004 -5.746 741 HD1 HIS 103 HD1 HIS 103 121.122 1.124 -2.355 742 HD2 HIS 103 HD2 HIS 103 124.524 1.413 -4.747 743 HE1 HIS 103 HE1 HIS 103 122.973 1.993 -0.864 744 H HIS 104 HN HIS 104 119.486 -0.267 -5.852 745 HA HIS 104 HA HIS 104 118.142 0.343 -8.330 746 HB2 HIS 104 HB2 HIS 104 118.940 -1.570 -9.597 747 HB3 HIS 104 HB1 HIS 104 120.320 -0.575 -9.133 748 HD1 HIS 104 HD1 HIS 104 121.814 -1.466 -7.142 749 HD2 HIS 104 HD2 HIS 104 118.912 -4.150 -8.465 750 HE1 HIS 104 HE1 HIS 104 122.427 -3.722 -6.166 Start of MODEL 11 1 H1 TRP 1 HT1 TRP 1 61.589 -10.987 -12.844 2 H2 TRP 1 HT2 TRP 1 61.209 -9.911 -14.103 3 H3 TRP 1 HT3 TRP 1 60.137 -11.167 -13.701 4 HA TRP 1 HA TRP 1 60.808 -8.784 -12.071 5 HB2 TRP 1 HB2 TRP 1 59.145 -8.539 -13.942 6 HB3 TRP 1 HB1 TRP 1 58.156 -9.775 -13.165 7 HD1 TRP 1 HD1 TRP 1 59.803 -6.398 -12.217 8 HE1 TRP 1 HE1 TRP 1 58.230 -5.171 -10.582 9 HE3 TRP 1 HE3 TRP 1 56.102 -9.891 -11.759 10 HZ2 TRP 1 HZ2 TRP 1 55.736 -5.613 -9.257 11 HZ3 TRP 1 HZ3 TRP 1 54.140 -9.459 -10.307 12 HH2 TRP 1 HH2 TRP 1 53.953 -7.328 -9.057 13 H ARG 2 HN ARG 2 61.067 -11.822 -11.651 14 HA ARG 2 HA ARG 2 59.237 -12.191 -9.362 15 HB2 ARG 2 HB2 ARG 2 61.002 -14.103 -10.905 16 HB3 ARG 2 HB1 ARG 2 60.117 -14.550 -9.448 17 HG2 ARG 2 HG2 ARG 2 57.995 -13.972 -10.522 18 HG3 ARG 2 HG1 ARG 2 58.852 -13.440 -11.972 19 HD2 ARG 2 HD2 ARG 2 59.756 -15.714 -12.275 20 HD3 ARG 2 HD1 ARG 2 58.907 -16.245 -10.828 21 HE ARG 2 HE ARG 2 57.104 -15.079 -12.723 22 HH11 ARG 2 HH11 ARG 2 59.283 -17.572 -13.187 23 HH12 ARG 2 HH12 ARG 2 58.106 -18.810 -13.487 24 HH21 ARG 2 HH21 ARG 2 55.410 -16.823 -12.565 25 HH22 ARG 2 HH22 ARG 2 55.906 -18.385 -13.131 26 H LEU 3 HN LEU 3 60.211 -10.982 -7.740 27 HA LEU 3 HA LEU 3 61.882 -10.266 -6.282 28 HB2 LEU 3 HB2 LEU 3 62.118 -13.280 -6.030 29 HB3 LEU 3 HB1 LEU 3 62.608 -12.090 -4.829 30 HG LEU 3 HG LEU 3 60.062 -11.289 -5.094 31 HD11 LEU 3 HD11 LEU 3 59.833 -14.262 -5.610 32 HD12 LEU 3 HD12 LEU 3 59.652 -13.059 -6.880 33 HD13 LEU 3 HD13 LEU 3 58.527 -13.083 -5.529 34 HD21 LEU 3 HD21 LEU 3 60.978 -11.992 -2.970 35 HD22 LEU 3 HD22 LEU 3 61.025 -13.675 -3.493 36 HD23 LEU 3 HD23 LEU 3 59.474 -12.880 -3.223 37 H GLU 4 HN GLU 4 62.850 -10.529 -9.009 38 HA GLU 4 HA GLU 4 65.529 -11.659 -8.815 39 HB2 GLU 4 HB2 GLU 4 65.735 -10.777 -11.155 40 HB3 GLU 4 HB1 GLU 4 64.400 -11.909 -10.934 41 HG2 GLU 4 HG2 GLU 4 62.816 -10.064 -10.747 42 HG3 GLU 4 HG1 GLU 4 64.130 -8.891 -10.840 43 H ILE 5 HN ILE 5 67.439 -10.446 -8.791 44 HA ILE 5 HA ILE 5 67.180 -7.738 -7.735 45 HB ILE 5 HB ILE 5 69.741 -9.254 -8.302 46 HG12 ILE 5 HG12 ILE 5 68.117 -9.239 -5.732 47 HG13 ILE 5 HG11 ILE 5 68.183 -10.597 -6.853 48 HG21 ILE 5 HG21 ILE 5 69.547 -6.683 -7.711 49 HG22 ILE 5 HG22 ILE 5 70.758 -7.674 -6.898 50 HG23 ILE 5 HG23 ILE 5 69.250 -7.275 -6.078 51 HD11 ILE 5 HD11 ILE 5 69.941 -10.110 -4.726 52 HD12 ILE 5 HD12 ILE 5 70.873 -9.686 -6.160 53 HD13 ILE 5 HD13 ILE 5 70.156 -11.292 -6.012 54 H LEU 6 HN LEU 6 67.132 -6.057 -9.107 55 HA LEU 6 HA LEU 6 67.814 -6.417 -11.883 56 HB2 LEU 6 HB2 LEU 6 67.064 -3.884 -10.437 57 HB3 LEU 6 HB1 LEU 6 66.929 -4.210 -12.165 58 HG LEU 6 HG LEU 6 65.379 -5.551 -9.931 59 HD11 LEU 6 HD11 LEU 6 63.433 -4.605 -11.241 60 HD12 LEU 6 HD12 LEU 6 64.606 -3.700 -12.198 61 HD13 LEU 6 HD13 LEU 6 64.459 -3.395 -10.468 62 HD21 LEU 6 HD21 LEU 6 65.728 -7.299 -11.484 63 HD22 LEU 6 HD22 LEU 6 65.641 -6.207 -12.868 64 HD23 LEU 6 HD23 LEU 6 64.177 -6.622 -11.976 65 H GLU 7 HN GLU 7 68.892 -3.807 -9.642 66 HA GLU 7 HA GLU 7 71.616 -4.116 -10.778 67 HB2 GLU 7 HB2 GLU 7 70.002 -1.579 -10.517 68 HB3 GLU 7 HB1 GLU 7 71.747 -1.602 -10.782 69 HG2 GLU 7 HG2 GLU 7 71.430 -2.883 -12.855 70 HG3 GLU 7 HG1 GLU 7 69.688 -2.905 -12.584 71 H LEU 8 HN LEU 8 73.163 -4.124 -9.346 72 HA LEU 8 HA LEU 8 72.687 -2.984 -6.658 73 HB2 LEU 8 HB2 LEU 8 74.366 -4.923 -5.969 74 HB3 LEU 8 HB1 LEU 8 72.640 -5.224 -6.082 75 HG LEU 8 HG LEU 8 74.026 -6.988 -7.160 76 HD11 LEU 8 HD11 LEU 8 72.674 -5.967 -9.555 77 HD12 LEU 8 HD12 LEU 8 71.671 -5.855 -8.112 78 HD13 LEU 8 HD13 LEU 8 72.350 -7.405 -8.594 79 HD21 LEU 8 HD21 LEU 8 75.374 -6.593 -9.049 80 HD22 LEU 8 HD22 LEU 8 75.754 -5.246 -7.981 81 HD23 LEU 8 HD23 LEU 8 74.666 -5.013 -9.349 82 H LEU 9 HN LEU 9 74.424 -2.003 -5.656 83 HA LEU 9 HA LEU 9 76.712 -1.356 -7.429 84 HB2 LEU 9 HB2 LEU 9 75.692 0.085 -4.970 85 HB3 LEU 9 HB1 LEU 9 77.021 0.609 -6.000 86 HG LEU 9 HG LEU 9 74.154 0.233 -6.914 87 HD11 LEU 9 HD11 LEU 9 74.323 2.777 -7.154 88 HD12 LEU 9 HD12 LEU 9 75.763 2.671 -6.143 89 HD13 LEU 9 HD13 LEU 9 74.204 2.152 -5.509 90 HD21 LEU 9 HD21 LEU 9 75.196 1.678 -8.874 91 HD22 LEU 9 HD22 LEU 9 75.426 -0.066 -8.859 92 HD23 LEU 9 HD23 LEU 9 76.720 0.995 -8.304 93 H LYS 10 HN LYS 10 78.399 -2.561 -7.032 94 HA LYS 10 HA LYS 10 79.081 -3.296 -4.241 95 HB2 LYS 10 HB2 LYS 10 79.861 -5.109 -6.509 96 HB3 LYS 10 HB1 LYS 10 79.564 -5.497 -4.822 97 HG2 LYS 10 HG2 LYS 10 77.123 -4.532 -6.214 98 HG3 LYS 10 HG1 LYS 10 77.794 -5.969 -6.945 99 HD2 LYS 10 HD2 LYS 10 76.226 -6.699 -5.301 100 HD3 LYS 10 HD1 LYS 10 77.823 -7.003 -4.624 101 HE2 LYS 10 HE2 LYS 10 77.689 -4.930 -3.326 102 HE3 LYS 10 HE1 LYS 10 76.121 -4.561 -4.044 103 HZ1 LYS 10 HZ1 LYS 10 76.002 -7.153 -3.030 104 HZ2 LYS 10 HZ2 LYS 10 75.174 -5.775 -2.475 105 HZ3 LYS 10 HZ3 LYS 10 76.690 -6.181 -1.823 106 H ASN 11 HN ASN 11 81.464 -4.083 -4.160 107 HA ASN 11 HA ASN 11 83.704 -3.575 -4.363 108 HB2 ASN 11 HB2 ASN 11 83.175 -4.245 -6.770 109 HB3 ASN 11 HB1 ASN 11 83.060 -2.523 -7.119 110 HD21 ASN 11 HD21 ASN 11 85.267 -5.145 -6.724 111 HD22 ASN 11 HD22 ASN 11 86.694 -4.230 -6.799 112 H ALA 12 HN ALA 12 84.251 -1.933 -3.006 113 HA ALA 12 HA ALA 12 84.248 0.768 -4.099 114 HB1 ALA 12 HB1 ALA 12 82.497 0.015 -1.774 115 HB2 ALA 12 HB2 ALA 12 82.052 0.849 -3.262 116 HB3 ALA 12 HB3 ALA 12 83.033 1.673 -2.052 117 H ALA 13 HN ALA 13 85.748 2.018 -3.400 118 HA ALA 13 HA ALA 13 87.235 1.430 -0.912 119 HB1 ALA 13 HB1 ALA 13 88.499 2.412 -3.487 120 HB2 ALA 13 HB2 ALA 13 88.511 0.721 -2.992 121 HB3 ALA 13 HB3 ALA 13 89.322 1.934 -2.001 122 H VAL 14 HN VAL 14 87.391 3.199 0.346 123 HA VAL 14 HA VAL 14 86.713 5.845 -0.841 124 HB VAL 14 HB VAL 14 85.634 6.323 1.429 125 HG11 VAL 14 HG11 VAL 14 84.192 6.055 -0.437 126 HG12 VAL 14 HG12 VAL 14 83.572 4.921 0.764 127 HG13 VAL 14 HG13 VAL 14 84.556 4.336 -0.577 128 HG21 VAL 14 HG21 VAL 14 85.042 4.489 2.820 129 HG22 VAL 14 HG22 VAL 14 86.736 4.211 2.435 130 HG23 VAL 14 HG23 VAL 14 85.486 3.304 1.592 131 H ARG 15 HN ARG 15 88.133 7.316 -0.620 132 HA ARG 15 HA ARG 15 90.434 7.057 1.118 133 HB2 ARG 15 HB2 ARG 15 89.521 9.290 -0.703 134 HB3 ARG 15 HB1 ARG 15 91.027 9.323 0.215 135 HG2 ARG 15 HG2 ARG 15 91.716 7.211 -0.904 136 HG3 ARG 15 HG1 ARG 15 90.244 7.276 -1.874 137 HD2 ARG 15 HD2 ARG 15 90.919 9.469 -2.760 138 HD3 ARG 15 HD1 ARG 15 92.389 9.410 -1.793 139 HE ARG 15 HE ARG 15 92.071 7.125 -3.525 140 HH11 ARG 15 HH21 ARG 15 92.754 10.492 -3.617 141 HH12 ARG 15 HH22 ARG 15 94.056 10.347 -4.749 142 HH21 ARG 15 HH11 ARG 15 93.943 6.884 -4.834 143 HH22 ARG 15 HH12 ARG 15 94.730 8.304 -5.438 144 H ALA 16 HN ALA 16 91.069 9.046 2.497 145 HA ALA 16 HA ALA 16 89.106 9.381 4.519 146 HB1 ALA 16 HB1 ALA 16 91.667 10.896 3.952 147 HB2 ALA 16 HB2 ALA 16 91.447 9.562 5.083 148 HB3 ALA 16 HB3 ALA 16 90.690 11.123 5.403 149 H GLY 17 HN GLY 17 87.483 10.844 4.729 150 HA2 GLY 17 HA2 GLY 17 86.209 12.751 4.383 151 HA3 GLY 17 HA1 GLY 17 87.565 13.448 3.499 152 H ALA 18 HN ALA 18 86.075 10.349 2.786 153 HA ALA 18 HA ALA 18 85.117 11.418 0.179 154 HB1 ALA 18 HB1 ALA 18 85.459 9.149 -0.699 155 HB2 ALA 18 HB2 ALA 18 86.066 8.630 0.871 156 HB3 ALA 18 HB3 ALA 18 86.963 9.822 -0.072 157 H GLN 19 HN GLN 19 83.139 10.746 -0.590 158 HA GLN 19 HA GLN 19 81.271 9.752 1.446 159 HB2 GLN 19 HB2 GLN 19 80.700 11.822 0.238 160 HB3 GLN 19 HB1 GLN 19 80.781 10.951 -1.293 161 HG2 GLN 19 HG2 GLN 19 78.944 9.507 -0.634 162 HG3 GLN 19 HG1 GLN 19 78.923 10.209 0.984 163 HE21 GLN 19 HE21 GLN 19 76.610 10.274 -0.708 164 HE22 GLN 19 HE22 GLN 19 76.310 11.889 -1.131 165 H ALA 20 HN ALA 20 79.913 7.976 1.063 166 HA ALA 20 HA ALA 20 80.661 6.209 -1.208 167 HB1 ALA 20 HB1 ALA 20 80.951 4.386 0.179 168 HB2 ALA 20 HB2 ALA 20 79.790 4.965 1.373 169 HB3 ALA 20 HB3 ALA 20 81.415 5.646 1.321 170 H CYS 21 HN CYS 21 78.981 5.076 -2.157 171 HA CYS 21 HA CYS 21 76.273 5.411 -1.044 172 HB2 CYS 21 HB2 CYS 21 75.354 6.267 -3.042 173 HB3 CYS 21 HB1 CYS 21 76.811 7.221 -2.775 174 HG CYS 21 HG CYS 21 77.744 5.047 -4.476 175 H PHE 22 HN PHE 22 75.065 3.677 -1.220 176 HA PHE 22 HA PHE 22 75.718 1.551 -3.182 177 HB2 PHE 22 HB2 PHE 22 75.231 1.087 -0.218 178 HB3 PHE 22 HB1 PHE 22 75.501 -0.155 -1.440 179 HD1 PHE 22 HD1 PHE 22 77.708 -0.338 -2.581 180 HD2 PHE 22 HD2 PHE 22 77.044 2.373 0.686 181 HE1 PHE 22 HE1 PHE 22 80.158 -0.102 -2.279 182 HE2 PHE 22 HE2 PHE 22 79.493 2.612 0.987 183 HZ PHE 22 HZ PHE 22 81.050 1.374 -0.495 184 H THR 23 HN THR 23 73.869 0.974 -4.191 185 HA THR 23 HA THR 23 71.310 1.151 -2.718 186 HB THR 23 HB THR 23 70.243 2.323 -4.537 187 HG1 THR 23 HG1 THR 23 72.529 1.534 -5.829 188 HG21 THR 23 HG21 THR 23 71.767 3.580 -2.835 189 HG22 THR 23 HG22 THR 23 71.223 4.445 -4.272 190 HG23 THR 23 HG23 THR 23 72.857 3.787 -4.209 191 H CYS 24 HN CYS 24 69.774 -0.419 -3.367 192 HA CYS 24 HA CYS 24 70.606 -2.230 -5.555 193 HB2 CYS 24 HB2 CYS 24 71.282 -3.262 -3.469 194 HB3 CYS 24 HB1 CYS 24 69.681 -2.992 -2.777 195 HG CYS 24 HG CYS 24 68.726 -4.854 -4.185 196 H THR 25 HN THR 25 69.075 -1.383 -6.915 197 HA THR 25 HA THR 25 66.308 -1.108 -6.197 198 HB THR 25 HB THR 25 66.012 -0.876 -8.711 199 HG1 THR 25 HG1 THR 25 67.892 -0.799 -9.913 200 HG21 THR 25 HG21 THR 25 68.151 0.838 -7.420 201 HG22 THR 25 HG22 THR 25 66.417 1.037 -7.170 202 HG23 THR 25 HG23 THR 25 67.112 1.304 -8.769 203 H LEU 26 HN LEU 26 65.016 -2.787 -5.801 204 HA LEU 26 HA LEU 26 65.550 -5.369 -7.126 205 HB2 LEU 26 HB2 LEU 26 63.885 -4.689 -4.699 206 HB3 LEU 26 HB1 LEU 26 64.165 -6.310 -5.328 207 HG LEU 26 HG LEU 26 66.325 -4.418 -4.357 208 HD11 LEU 26 HD11 LEU 26 64.741 -5.352 -2.612 209 HD12 LEU 26 HD12 LEU 26 66.430 -5.805 -2.387 210 HD13 LEU 26 HD13 LEU 26 65.289 -6.964 -3.073 211 HD21 LEU 26 HD21 LEU 26 67.438 -5.813 -5.869 212 HD22 LEU 26 HD22 LEU 26 66.333 -7.165 -5.602 213 HD23 LEU 26 HD23 LEU 26 67.558 -6.774 -4.396 214 H SER 27 HN SER 27 63.429 -6.700 -7.034 215 HA SER 27 HA SER 27 61.442 -5.308 -8.736 216 HB2 SER 27 HB2 SER 27 62.327 -8.182 -8.570 217 HB3 SER 27 HB1 SER 27 60.824 -7.714 -9.367 218 HG SER 27 HG SER 27 62.152 -7.418 -10.994 219 H GLU 28 HN GLU 28 61.918 -6.736 -5.661 220 HA GLU 28 HA GLU 28 58.989 -6.704 -5.167 221 HB2 GLU 28 HB2 GLU 28 59.819 -9.016 -5.324 222 HB3 GLU 28 HB1 GLU 28 61.003 -8.682 -4.066 223 HG2 GLU 28 HG2 GLU 28 59.137 -9.770 -3.007 224 HG3 GLU 28 HG1 GLU 28 59.063 -8.075 -2.536 225 H ALA 29 HN ALA 29 58.382 -5.465 -3.547 226 HA ALA 29 HA ALA 29 60.404 -4.218 -1.823 227 HB1 ALA 29 HB1 ALA 29 58.564 -2.705 -1.181 228 HB2 ALA 29 HB2 ALA 29 57.446 -3.651 -2.162 229 HB3 ALA 29 HB3 ALA 29 58.758 -2.761 -2.934 230 H VAL 30 HN VAL 30 60.838 -5.075 0.092 231 HA VAL 30 HA VAL 30 58.806 -6.781 1.389 232 HB VAL 30 HB VAL 30 61.125 -7.378 2.711 233 HG11 VAL 30 HG11 VAL 30 60.110 -8.525 0.096 234 HG12 VAL 30 HG12 VAL 30 59.711 -9.071 1.727 235 HG13 VAL 30 HG13 VAL 30 61.342 -9.294 1.094 236 HG21 VAL 30 HG21 VAL 30 61.943 -6.840 -0.158 237 HG22 VAL 30 HG22 VAL 30 62.968 -7.427 1.153 238 HG23 VAL 30 HG23 VAL 30 62.356 -5.774 1.191 239 HA PRO 31 HA PRO 31 58.378 -3.825 4.687 240 HB2 PRO 31 HB2 PRO 31 58.281 -5.796 6.826 241 HB3 PRO 31 HB1 PRO 31 56.940 -4.920 6.089 242 HG2 PRO 31 HG2 PRO 31 57.661 -7.671 5.768 243 HG3 PRO 31 HG1 PRO 31 56.296 -6.805 5.054 244 HD2 PRO 31 HD2 PRO 31 58.677 -7.736 3.724 245 HD3 PRO 31 HD1 PRO 31 57.309 -6.839 3.027 246 H VAL 32 HN VAL 32 59.446 -4.748 7.447 247 HA VAL 32 HA VAL 32 62.338 -4.337 6.902 248 HB VAL 32 HB VAL 32 62.233 -3.310 9.303 249 HG11 VAL 32 HG11 VAL 32 61.496 -1.090 8.306 250 HG12 VAL 32 HG12 VAL 32 61.111 -1.973 6.827 251 HG13 VAL 32 HG13 VAL 32 62.771 -1.918 7.418 252 HG21 VAL 32 HG21 VAL 32 59.821 -4.077 9.610 253 HG22 VAL 32 HG22 VAL 32 59.366 -2.852 8.429 254 HG23 VAL 32 HG23 VAL 32 60.111 -2.374 9.955 255 H GLY 33 HN GLY 33 63.150 -6.325 7.093 256 HA2 GLY 33 HA2 GLY 33 63.808 -7.569 9.391 257 HA3 GLY 33 HA1 GLY 33 62.196 -8.211 9.079 258 H GLU 34 HN GLU 34 62.233 -8.395 6.279 259 HA GLU 34 HA GLU 34 63.629 -10.841 5.911 260 HB2 GLU 34 HB2 GLU 34 62.364 -8.934 3.928 261 HB3 GLU 34 HB1 GLU 34 63.036 -10.497 3.477 262 HG2 GLU 34 HG2 GLU 34 60.775 -11.012 3.806 263 HG3 GLU 34 HG1 GLU 34 61.472 -11.438 5.362 264 H ALA 35 HN ALA 35 64.268 -7.524 4.809 265 HA ALA 35 HA ALA 35 66.751 -8.229 3.516 266 HB1 ALA 35 HB1 ALA 35 65.284 -5.681 4.130 267 HB2 ALA 35 HB2 ALA 35 65.795 -6.316 2.569 268 HB3 ALA 35 HB3 ALA 35 66.983 -5.600 3.657 269 H SER 36 HN SER 36 68.838 -8.002 4.331 270 HA SER 36 HA SER 36 69.094 -7.064 7.128 271 HB2 SER 36 HB2 SER 36 70.149 -9.632 5.922 272 HB3 SER 36 HB1 SER 36 70.663 -8.994 7.482 273 HG SER 36 HG SER 36 68.041 -9.753 6.682 274 H TRP 37 HN TRP 37 70.149 -5.200 6.643 275 HA TRP 37 HA TRP 37 72.570 -5.326 4.954 276 HB2 TRP 37 HB2 TRP 37 70.919 -2.993 5.970 277 HB3 TRP 37 HB1 TRP 37 72.400 -2.829 5.025 278 HD1 TRP 37 HD1 TRP 37 68.755 -3.851 4.761 279 HE1 TRP 37 HE1 TRP 37 68.128 -4.154 2.280 280 HE3 TRP 37 HE3 TRP 37 73.386 -3.447 2.603 281 HZ2 TRP 37 HZ2 TRP 37 69.405 -4.220 -0.269 282 HZ3 TRP 37 HZ3 TRP 37 73.637 -3.631 0.144 283 HH2 TRP 37 HH2 TRP 37 71.654 -4.016 -1.291 284 H TYR 38 HN TYR 38 74.362 -5.712 6.015 285 HA TYR 38 HA TYR 38 75.016 -4.177 8.416 286 HB2 TYR 38 HB2 TYR 38 75.024 -7.204 8.413 287 HB3 TYR 38 HB1 TYR 38 75.729 -6.185 9.674 288 HD1 TYR 38 HD1 TYR 38 72.544 -7.119 7.981 289 HD2 TYR 38 HD2 TYR 38 74.360 -5.127 11.327 290 HE1 TYR 38 HE1 TYR 38 70.329 -6.933 9.079 291 HE2 TYR 38 HE2 TYR 38 72.140 -4.936 12.416 292 HH TYR 38 HH TYR 38 69.484 -4.964 11.191 293 H ILE 39 HN ILE 39 77.173 -3.988 8.810 294 HA ILE 39 HA ILE 39 79.028 -5.117 6.790 295 HB ILE 39 HB ILE 39 79.541 -2.547 8.299 296 HG12 ILE 39 HG12 ILE 39 78.727 -1.636 5.836 297 HG13 ILE 39 HG11 ILE 39 77.605 -2.975 6.060 298 HG21 ILE 39 HG21 ILE 39 80.443 -3.489 5.570 299 HG22 ILE 39 HG22 ILE 39 81.362 -3.739 7.056 300 HG23 ILE 39 HG23 ILE 39 81.053 -2.105 6.471 301 HD11 ILE 39 HD11 ILE 39 78.070 -0.675 7.981 302 HD12 ILE 39 HD12 ILE 39 77.003 -2.043 8.296 303 HD13 ILE 39 HD13 ILE 39 76.641 -0.927 6.979 304 H ASN 40 HN ASN 40 80.513 -6.581 7.798 305 HA ASN 40 HA ASN 40 80.490 -7.039 10.514 306 HB2 ASN 40 HB2 ASN 40 81.461 -8.523 8.747 307 HB3 ASN 40 HB1 ASN 40 82.823 -7.409 8.626 308 HD21 ASN 40 HD21 ASN 40 83.029 -10.189 9.497 309 HD22 ASN 40 HD22 ASN 40 83.581 -10.162 11.103 310 H GLY 41 HN GLY 41 81.141 -5.869 12.148 311 HA2 GLY 41 HA2 GLY 41 83.083 -4.798 13.241 312 HA3 GLY 41 HA1 GLY 41 83.291 -3.859 11.767 313 H ALA 42 HN ALA 42 80.032 -4.048 12.013 314 HA ALA 42 HA ALA 42 79.570 -2.168 14.146 315 HB1 ALA 42 HB1 ALA 42 78.878 -0.291 12.651 316 HB2 ALA 42 HB2 ALA 42 79.593 -1.164 11.296 317 HB3 ALA 42 HB3 ALA 42 80.612 -0.616 12.629 318 H ALA 43 HN ALA 43 77.713 -2.958 14.860 319 HA ALA 43 HA ALA 43 75.743 -4.205 13.185 320 HB1 ALA 43 HB1 ALA 43 74.376 -4.166 15.295 321 HB2 ALA 43 HB2 ALA 43 75.693 -3.282 16.067 322 HB3 ALA 43 HB3 ALA 43 75.958 -4.925 15.482 323 H VAL 44 HN VAL 44 73.835 -3.337 12.366 324 HA VAL 44 HA VAL 44 73.696 -0.426 12.328 325 HB VAL 44 HB VAL 44 71.805 -2.362 10.987 326 HG11 VAL 44 HG11 VAL 44 72.556 0.545 10.583 327 HG12 VAL 44 HG12 VAL 44 70.958 -0.130 10.896 328 HG13 VAL 44 HG13 VAL 44 71.743 -0.400 9.341 329 HG21 VAL 44 HG21 VAL 44 73.907 -3.051 10.155 330 HG22 VAL 44 HG22 VAL 44 74.565 -1.418 10.199 331 HG23 VAL 44 HG23 VAL 44 73.378 -1.858 8.971 332 H GLN 45 HN GLN 45 72.983 0.322 14.219 333 HA GLN 45 HA GLN 45 70.312 -0.534 15.190 334 HB2 GLN 45 HB2 GLN 45 72.928 -0.114 16.550 335 HB3 GLN 45 HB1 GLN 45 71.525 0.483 17.419 336 HG2 GLN 45 HG2 GLN 45 70.507 -1.709 17.416 337 HG3 GLN 45 HG1 GLN 45 71.741 -2.332 16.320 338 HE21 GLN 45 HE21 GLN 45 71.349 -3.568 18.860 339 HE22 GLN 45 HE22 GLN 45 72.705 -3.252 19.830 340 HA PRO 46 HA PRO 46 69.077 3.719 14.857 341 HB2 PRO 46 HB2 PRO 46 68.002 4.093 17.518 342 HB3 PRO 46 HB1 PRO 46 67.119 3.796 16.016 343 HG2 PRO 46 HG2 PRO 46 67.521 1.998 18.193 344 HG3 PRO 46 HG1 PRO 46 66.679 1.688 16.671 345 HD2 PRO 46 HD2 PRO 46 69.263 0.687 17.516 346 HD3 PRO 46 HD1 PRO 46 68.377 0.314 16.028 347 H ASP 47 HN ASP 47 71.678 2.928 16.220 348 HA ASP 47 HA ASP 47 72.299 5.486 17.598 349 HB2 ASP 47 HB2 ASP 47 73.857 2.894 17.751 350 HB3 ASP 47 HB1 ASP 47 74.109 4.349 18.712 351 H ASP 48 HN ASP 48 72.842 3.418 14.929 352 HA ASP 48 HA ASP 48 75.372 3.911 14.041 353 HB2 ASP 48 HB2 ASP 48 72.909 3.980 12.290 354 HB3 ASP 48 HB1 ASP 48 74.552 3.582 11.789 355 H SER 49 HN SER 49 76.366 5.814 14.215 356 HA SER 49 HA SER 49 75.016 8.286 13.380 357 HB2 SER 49 HB2 SER 49 76.265 8.330 15.486 358 HB3 SER 49 HB1 SER 49 77.728 7.820 14.649 359 HG SER 49 HG SER 49 77.962 9.932 14.526 360 H ASP 50 HN ASP 50 77.779 6.243 12.528 361 HA ASP 50 HA ASP 50 78.528 7.976 10.304 362 HB2 ASP 50 HB2 ASP 50 79.636 5.350 11.316 363 HB3 ASP 50 HB1 ASP 50 80.261 6.194 9.900 364 H TRP 51 HN TRP 51 76.654 5.082 10.825 365 HA TRP 51 HA TRP 51 76.411 4.692 7.885 366 HB2 TRP 51 HB2 TRP 51 76.172 2.777 10.206 367 HB3 TRP 51 HB1 TRP 51 75.484 2.400 8.627 368 HD1 TRP 51 HD1 TRP 51 77.302 2.591 6.514 369 HE1 TRP 51 HE1 TRP 51 79.761 1.815 6.470 370 HE3 TRP 51 HE3 TRP 51 78.242 2.380 11.525 371 HZ2 TRP 51 HZ2 TRP 51 81.850 1.186 8.324 372 HZ3 TRP 51 HZ3 TRP 51 80.469 1.694 12.358 373 HH2 TRP 51 HH2 TRP 51 82.269 1.093 10.769 374 H THR 52 HN THR 52 74.433 4.608 6.943 375 HA THR 52 HA THR 52 72.036 4.999 8.643 376 HB THR 52 HB THR 52 72.548 6.466 6.053 377 HG1 THR 52 HG1 THR 52 72.301 7.906 8.357 378 HG21 THR 52 HG21 THR 52 70.192 6.047 6.514 379 HG22 THR 52 HG22 THR 52 70.552 7.753 6.766 380 HG23 THR 52 HG23 THR 52 70.379 6.675 8.151 381 H VAL 53 HN VAL 53 70.301 3.781 8.014 382 HA VAL 53 HA VAL 53 70.457 2.416 5.388 383 HB VAL 53 HB VAL 53 71.075 0.717 6.989 384 HG11 VAL 53 HG11 VAL 53 70.361 1.772 9.059 385 HG12 VAL 53 HG12 VAL 53 69.567 0.202 8.934 386 HG13 VAL 53 HG13 VAL 53 68.669 1.670 8.575 387 HG21 VAL 53 HG21 VAL 53 69.260 0.232 5.239 388 HG22 VAL 53 HG22 VAL 53 68.103 0.337 6.565 389 HG23 VAL 53 HG23 VAL 53 69.367 -0.895 6.591 390 H THR 54 HN THR 54 68.604 2.455 4.253 391 HA THR 54 HA THR 54 66.092 3.142 5.623 392 HB THR 54 HB THR 54 65.611 4.966 4.189 393 HG1 THR 54 HG1 THR 54 66.956 3.787 2.444 394 HG21 THR 54 HG21 THR 54 67.248 6.556 4.856 395 HG22 THR 54 HG22 THR 54 68.529 5.344 4.857 396 HG23 THR 54 HG23 THR 54 67.279 5.310 6.100 397 H ALA 55 HN ALA 55 64.212 2.588 4.394 398 HA ALA 55 HA ALA 55 64.685 0.963 1.972 399 HB1 ALA 55 HB1 ALA 55 64.716 -0.671 3.737 400 HB2 ALA 55 HB2 ALA 55 63.164 -0.793 2.907 401 HB3 ALA 55 HB3 ALA 55 63.267 0.020 4.469 402 H ASP 56 HN ASP 56 63.538 2.011 0.536 403 HA ASP 56 HA ASP 56 60.721 2.718 1.132 404 HB2 ASP 56 HB2 ASP 56 62.150 4.697 0.771 405 HB3 ASP 56 HB1 ASP 56 62.660 4.045 -0.784 406 H GLY 57 HN GLY 57 59.574 1.056 0.298 407 HA2 GLY 57 HA2 GLY 57 58.644 -0.355 -1.261 408 HA3 GLY 57 HA1 GLY 57 59.310 0.711 -2.492 409 H SER 58 HN SER 58 60.278 -0.599 -3.932 410 HA SER 58 HA SER 58 61.849 -2.912 -3.045 411 HB2 SER 58 HB2 SER 58 61.090 -1.953 -5.809 412 HB3 SER 58 HB1 SER 58 62.009 -3.416 -5.467 413 HG SER 58 HG SER 58 59.357 -2.781 -4.683 414 H HIS 59 HN HIS 59 62.794 -0.170 -2.535 415 HA HIS 59 HA HIS 59 65.402 -0.397 -3.925 416 HB2 HIS 59 HB2 HIS 59 64.252 1.383 -5.067 417 HB3 HIS 59 HB1 HIS 59 63.730 2.100 -3.543 418 HD1 HIS 59 HD1 HIS 59 65.089 4.125 -3.047 419 HD2 HIS 59 HD2 HIS 59 67.394 1.162 -4.863 420 HE1 HIS 59 HE1 HIS 59 67.449 5.037 -3.186 421 H HIS 60 HN HIS 60 67.085 -0.351 -2.557 422 HA HIS 60 HA HIS 60 66.637 0.665 0.210 423 HB2 HIS 60 HB2 HIS 60 68.382 -1.628 -0.729 424 HB3 HIS 60 HB1 HIS 60 68.288 -1.033 0.929 425 HD1 HIS 60 HD1 HIS 60 65.749 -1.100 1.982 426 HD2 HIS 60 HD2 HIS 60 66.473 -3.547 -1.315 427 HE1 HIS 60 HE1 HIS 60 63.880 -2.808 1.934 428 H ALA 61 HN ALA 61 68.154 2.147 0.972 429 HA ALA 61 HA ALA 61 70.604 2.527 -0.644 430 HB1 ALA 61 HB1 ALA 61 68.792 4.160 -1.306 431 HB2 ALA 61 HB2 ALA 61 70.292 4.893 -0.733 432 HB3 ALA 61 HB3 ALA 61 68.887 4.811 0.332 433 H LEU 62 HN LEU 62 72.275 2.358 0.586 434 HA LEU 62 HA LEU 62 72.215 3.333 3.391 435 HB2 LEU 62 HB2 LEU 62 72.362 0.917 3.393 436 HB3 LEU 62 HB1 LEU 62 73.670 0.948 2.213 437 HG LEU 62 HG LEU 62 74.186 2.572 4.666 438 HD11 LEU 62 HD11 LEU 62 74.082 -0.457 4.805 439 HD12 LEU 62 HD12 LEU 62 73.020 0.649 5.674 440 HD13 LEU 62 HD13 LEU 62 74.743 0.605 6.048 441 HD21 LEU 62 HD21 LEU 62 75.781 0.424 3.223 442 HD22 LEU 62 HD22 LEU 62 76.401 1.510 4.466 443 HD23 LEU 62 HD23 LEU 62 75.897 2.154 2.907 444 H LEU 63 HN LEU 63 73.812 4.760 3.963 445 HA LEU 63 HA LEU 63 75.970 5.249 1.959 446 HB2 LEU 63 HB2 LEU 63 75.859 7.685 2.724 447 HB3 LEU 63 HB1 LEU 63 74.529 7.102 1.718 448 HG LEU 63 HG LEU 63 73.247 6.622 3.858 449 HD11 LEU 63 HD11 LEU 63 74.129 8.192 5.780 450 HD12 LEU 63 HD12 LEU 63 75.689 7.990 4.987 451 HD13 LEU 63 HD13 LEU 63 74.823 6.585 5.599 452 HD21 LEU 63 HD21 LEU 63 74.074 9.423 3.077 453 HD22 LEU 63 HD22 LEU 63 72.789 9.107 4.243 454 HD23 LEU 63 HD23 LEU 63 72.631 8.537 2.581 455 H LEU 64 HN LEU 64 77.547 6.863 2.926 456 HA LEU 64 HA LEU 64 78.315 6.380 5.696 457 HB2 LEU 64 HB2 LEU 64 79.515 4.611 4.319 458 HB3 LEU 64 HB1 LEU 64 80.279 5.932 3.432 459 HG LEU 64 HG LEU 64 81.182 6.816 5.574 460 HD11 LEU 64 HD11 LEU 64 81.157 4.712 7.352 461 HD12 LEU 64 HD12 LEU 64 79.534 4.603 6.674 462 HD13 LEU 64 HD13 LEU 64 80.074 6.099 7.432 463 HD21 LEU 64 HD21 LEU 64 82.869 4.957 5.867 464 HD22 LEU 64 HD22 LEU 64 82.613 5.442 4.191 465 HD23 LEU 64 HD23 LEU 64 81.870 3.965 4.800 466 H ARG 65 HN ARG 65 78.647 8.448 6.400 467 HA ARG 65 HA ARG 65 78.862 10.580 4.568 468 HB2 ARG 65 HB2 ARG 65 79.500 11.929 6.636 469 HB3 ARG 65 HB1 ARG 65 77.965 11.073 6.725 470 HG2 ARG 65 HG2 ARG 65 79.069 9.226 7.950 471 HG3 ARG 65 HG1 ARG 65 80.593 10.112 7.890 472 HD2 ARG 65 HD2 ARG 65 79.601 11.957 9.151 473 HD3 ARG 65 HD1 ARG 65 78.041 11.143 9.156 474 HE ARG 65 HE ARG 65 80.121 9.531 10.315 475 HH11 ARG 65 HH21 ARG 65 77.111 10.719 10.898 476 HH12 ARG 65 HH22 ARG 65 77.342 11.100 12.571 477 HH21 ARG 65 HH11 ARG 65 80.773 10.624 12.475 478 HH22 ARG 65 HH12 ARG 65 79.416 11.047 13.464 479 H SER 66 HN SER 66 81.218 11.521 6.608 480 HA SER 66 HA SER 66 83.264 11.264 4.624 481 HB2 SER 66 HB2 SER 66 84.654 12.496 6.157 482 HB3 SER 66 HB1 SER 66 83.042 13.208 6.184 483 HG SER 66 HG SER 66 84.098 11.318 8.028 484 H ALA 67 HN ALA 67 84.221 9.379 4.246 485 HA ALA 67 HA ALA 67 84.367 7.215 6.048 486 HB1 ALA 67 HB1 ALA 67 86.121 6.384 4.395 487 HB2 ALA 67 HB2 ALA 67 85.871 7.891 3.521 488 HB3 ALA 67 HB3 ALA 67 84.537 6.756 3.719 489 H GLN 68 HN GLN 68 85.468 7.227 7.903 490 HA GLN 68 HA GLN 68 88.129 8.531 8.006 491 HB2 GLN 68 HB2 GLN 68 87.717 8.486 10.519 492 HB3 GLN 68 HB1 GLN 68 86.672 9.569 9.599 493 HG2 GLN 68 HG2 GLN 68 84.873 7.954 9.619 494 HG3 GLN 68 HG1 GLN 68 85.915 6.734 10.349 495 HE21 GLN 68 HE21 GLN 68 87.180 8.693 12.233 496 HE22 GLN 68 HE22 GLN 68 85.996 9.025 13.402 497 HA PRO 69 HA PRO 69 90.028 4.536 8.370 498 HB2 PRO 69 HB2 PRO 69 91.733 5.169 10.627 499 HB3 PRO 69 HB1 PRO 69 92.170 5.110 8.915 500 HG2 PRO 69 HG2 PRO 69 91.621 7.432 10.607 501 HG3 PRO 69 HG1 PRO 69 92.440 7.351 9.041 502 HD2 PRO 69 HD2 PRO 69 89.916 8.429 9.435 503 HD3 PRO 69 HD1 PRO 69 90.506 7.817 7.873 504 H HIS 70 HN HIS 70 87.991 3.627 9.142 505 HA HIS 70 HA HIS 70 88.195 2.106 11.470 506 HB2 HIS 70 HB2 HIS 70 87.910 4.196 12.742 507 HB3 HIS 70 HB1 HIS 70 86.428 4.542 11.857 508 HD1 HIS 70 HD1 HIS 70 87.855 1.727 14.007 509 HD2 HIS 70 HD2 HIS 70 84.198 3.528 13.131 510 HE1 HIS 70 HE1 HIS 70 86.135 0.619 15.500 511 H HIS 71 HN HIS 71 86.256 3.601 9.021 512 HA HIS 71 HA HIS 71 83.908 2.039 9.433 513 HB2 HIS 71 HB2 HIS 71 83.091 3.054 7.442 514 HB3 HIS 71 HB1 HIS 71 84.050 4.283 8.265 515 HD1 HIS 71 HD1 HIS 71 84.593 1.595 5.609 516 HD2 HIS 71 HD2 HIS 71 85.976 5.391 6.629 517 HE1 HIS 71 HE1 HIS 71 86.215 2.283 3.787 518 H ALA 72 HN ALA 72 86.950 1.292 8.066 519 HA ALA 72 HA ALA 72 86.346 -0.380 5.942 520 HB1 ALA 72 HB1 ALA 72 88.461 -0.840 8.055 521 HB2 ALA 72 HB2 ALA 72 88.648 0.199 6.642 522 HB3 ALA 72 HB3 ALA 72 88.436 -1.540 6.437 523 H GLY 73 HN GLY 73 85.900 -2.568 5.729 524 HA2 GLY 73 HA2 GLY 73 85.762 -4.541 7.634 525 HA3 GLY 73 HA1 GLY 73 84.222 -3.696 7.771 526 H GLU 74 HN GLU 74 83.538 -5.972 7.128 527 HA GLU 74 HA GLU 74 83.688 -6.416 4.205 528 HB2 GLU 74 HB2 GLU 74 84.206 -8.319 5.737 529 HB3 GLU 74 HB1 GLU 74 82.563 -8.217 6.369 530 HG2 GLU 74 HG2 GLU 74 81.671 -8.607 4.093 531 HG3 GLU 74 HG1 GLU 74 83.318 -8.736 3.477 532 H VAL 75 HN VAL 75 81.745 -6.626 2.965 533 HA VAL 75 HA VAL 75 79.337 -5.439 4.261 534 HB VAL 75 HB VAL 75 80.365 -5.153 1.430 535 HG11 VAL 75 HG11 VAL 75 78.384 -3.600 1.196 536 HG12 VAL 75 HG12 VAL 75 77.777 -4.250 2.719 537 HG13 VAL 75 HG13 VAL 75 77.955 -5.306 1.322 538 HG21 VAL 75 HG21 VAL 75 81.331 -3.781 3.433 539 HG22 VAL 75 HG22 VAL 75 79.777 -2.943 3.401 540 HG23 VAL 75 HG23 VAL 75 80.824 -2.912 1.984 541 H THR 76 HN THR 76 77.814 -6.911 4.547 542 HA THR 76 HA THR 76 77.303 -8.895 2.399 543 HB THR 76 HB THR 76 77.201 -9.364 5.391 544 HG1 THR 76 HG1 THR 76 79.152 -9.545 3.577 545 HG21 THR 76 HG21 THR 76 76.497 -11.084 3.006 546 HG22 THR 76 HG22 THR 76 75.463 -10.654 4.369 547 HG23 THR 76 HG23 THR 76 76.820 -11.753 4.604 548 H PHE 77 HN PHE 77 75.269 -8.982 1.697 549 HA PHE 77 HA PHE 77 73.056 -7.986 3.384 550 HB2 PHE 77 HB2 PHE 77 73.406 -6.083 2.045 551 HB3 PHE 77 HB1 PHE 77 73.795 -7.035 0.618 552 HD1 PHE 77 HD2 PHE 77 70.943 -6.897 3.067 553 HD2 PHE 77 HD1 PHE 77 72.152 -6.883 -1.053 554 HE1 PHE 77 HE2 PHE 77 68.569 -6.787 2.372 555 HE2 PHE 77 HE1 PHE 77 69.772 -6.763 -1.747 556 HZ PHE 77 HZ PHE 77 67.982 -6.718 -0.034 557 H ALA 78 HN ALA 78 71.191 -9.171 3.201 558 HA ALA 78 HA ALA 78 70.868 -11.021 0.959 559 HB1 ALA 78 HB1 ALA 78 70.564 -12.972 2.446 560 HB2 ALA 78 HB2 ALA 78 71.090 -11.990 3.816 561 HB3 ALA 78 HB3 ALA 78 72.210 -12.344 2.500 562 H CYS 79 HN CYS 79 68.784 -11.750 0.658 563 HA CYS 79 HA CYS 79 66.698 -11.180 2.579 564 HB2 CYS 79 HB2 CYS 79 67.216 -9.015 1.230 565 HB3 CYS 79 HB1 CYS 79 66.406 -9.841 -0.101 566 HG CYS 79 HG CYS 79 64.876 -8.405 1.852 567 H ARG 80 HN ARG 80 64.702 -11.124 0.363 568 HA ARG 80 HA ARG 80 64.184 -13.888 0.187 569 HB2 ARG 80 HB2 ARG 80 63.171 -11.751 -1.698 570 HB3 ARG 80 HB1 ARG 80 62.412 -13.301 -1.343 571 HG2 ARG 80 HG2 ARG 80 62.915 -11.168 0.752 572 HG3 ARG 80 HG1 ARG 80 61.398 -11.322 -0.126 573 HD2 ARG 80 HD2 ARG 80 62.645 -13.323 1.775 574 HD3 ARG 80 HD1 ARG 80 61.104 -12.493 1.941 575 HE ARG 80 HE ARG 80 61.650 -14.816 0.268 576 HH11 ARG 80 HH11 ARG 80 59.604 -12.112 0.932 577 HH12 ARG 80 HH12 ARG 80 58.181 -12.846 0.267 578 HH21 ARG 80 HH21 ARG 80 59.781 -15.809 -0.565 579 HH22 ARG 80 HH22 ARG 80 58.284 -14.939 -0.585 580 H ASP 81 HN ASP 81 66.006 -14.948 -0.567 581 HA ASP 81 HA ASP 81 67.515 -15.764 -2.097 582 HB2 ASP 81 HB2 ASP 81 65.302 -16.605 -2.944 583 HB3 ASP 81 HB1 ASP 81 65.275 -15.237 -4.058 584 H ALA 82 HN ALA 82 67.130 -12.693 -1.821 585 HA ALA 82 HA ALA 82 68.533 -11.930 -4.323 586 HB1 ALA 82 HB1 ALA 82 68.117 -9.551 -3.336 587 HB2 ALA 82 HB2 ALA 82 66.919 -10.353 -2.320 588 HB3 ALA 82 HB3 ALA 82 66.761 -10.406 -4.075 589 H VAL 83 HN VAL 83 70.313 -13.167 -3.377 590 HA VAL 83 HA VAL 83 71.620 -12.160 -1.015 591 HB VAL 83 HB VAL 83 72.309 -14.271 -3.063 592 HG11 VAL 83 HG11 VAL 83 74.143 -14.856 -1.357 593 HG12 VAL 83 HG12 VAL 83 73.910 -13.233 -0.711 594 HG13 VAL 83 HG13 VAL 83 74.449 -13.449 -2.376 595 HG21 VAL 83 HG21 VAL 83 71.766 -14.491 -0.092 596 HG22 VAL 83 HG22 VAL 83 71.810 -15.795 -1.279 597 HG23 VAL 83 HG23 VAL 83 70.496 -14.619 -1.309 598 H ALA 84 HN ALA 84 73.680 -11.211 -0.923 599 HA ALA 84 HA ALA 84 74.949 -10.226 -3.330 600 HB1 ALA 84 HB1 ALA 84 74.179 -8.041 -1.443 601 HB2 ALA 84 HB2 ALA 84 72.926 -8.665 -2.511 602 HB3 ALA 84 HB3 ALA 84 74.406 -7.990 -3.192 603 H SER 85 HN SER 85 76.838 -8.754 -2.695 604 HA SER 85 HA SER 85 77.889 -9.054 -0.025 605 HB2 SER 85 HB2 SER 85 79.044 -10.654 -2.310 606 HB3 SER 85 HB1 SER 85 79.980 -10.247 -0.875 607 HG SER 85 HG SER 85 78.101 -12.149 -1.223 608 H ALA 86 HN ALA 86 80.373 -8.320 -0.165 609 HA ALA 86 HA ALA 86 81.304 -6.729 -2.220 610 HB1 ALA 86 HB1 ALA 86 79.226 -5.381 -0.603 611 HB2 ALA 86 HB2 ALA 86 79.754 -5.048 -2.245 612 HB3 ALA 86 HB3 ALA 86 80.681 -4.427 -0.881 613 H ARG 87 HN ARG 87 82.737 -4.834 -1.308 614 HA ARG 87 HA ARG 87 83.989 -5.583 1.251 615 HB2 ARG 87 HB2 ARG 87 85.338 -5.497 -1.448 616 HB3 ARG 87 HB1 ARG 87 86.234 -5.386 0.069 617 HG2 ARG 87 HG2 ARG 87 85.305 -7.546 0.789 618 HG3 ARG 87 HG1 ARG 87 84.371 -7.652 -0.703 619 HD2 ARG 87 HD2 ARG 87 86.466 -7.630 -2.012 620 HD3 ARG 87 HD1 ARG 87 87.393 -7.524 -0.520 621 HE ARG 87 HE ARG 87 86.906 -9.786 -0.084 622 HH11 ARG 87 HH11 ARG 87 84.114 -9.124 -1.654 623 HH12 ARG 87 HH12 ARG 87 84.151 -10.456 -2.757 624 HH21 ARG 87 HH21 ARG 87 87.432 -11.300 -2.056 625 HH22 ARG 87 HH22 ARG 87 86.021 -11.684 -2.986 626 H LEU 88 HN LEU 88 84.442 -3.850 2.420 627 HA LEU 88 HA LEU 88 84.630 -1.203 1.088 628 HB2 LEU 88 HB2 LEU 88 82.680 -1.485 2.621 629 HB3 LEU 88 HB1 LEU 88 83.801 -1.820 3.937 630 HG LEU 88 HG LEU 88 84.851 0.415 3.577 631 HD11 LEU 88 HD11 LEU 88 82.792 0.513 1.382 632 HD12 LEU 88 HD12 LEU 88 84.465 1.076 1.373 633 HD13 LEU 88 HD13 LEU 88 83.229 2.011 2.206 634 HD21 LEU 88 HD21 LEU 88 83.119 0.168 5.278 635 HD22 LEU 88 HD22 LEU 88 81.853 0.377 4.067 636 HD23 LEU 88 HD23 LEU 88 82.912 1.726 4.474 637 H THR 89 HN THR 89 86.536 -0.138 1.281 638 HA THR 89 HA THR 89 88.310 -0.777 3.535 639 HB THR 89 HB THR 89 89.040 -2.318 1.822 640 HG1 THR 89 HG1 THR 89 90.721 -1.425 2.907 641 HG21 THR 89 HG21 THR 89 89.811 -1.420 -0.384 642 HG22 THR 89 HG22 THR 89 89.132 0.146 0.062 643 HG23 THR 89 HG23 THR 89 88.073 -1.250 -0.134 644 H VAL 90 HN VAL 90 89.904 0.795 3.964 645 HA VAL 90 HA VAL 90 89.370 3.425 2.694 646 HB VAL 90 HB VAL 90 88.606 3.198 5.033 647 HG11 VAL 90 HG11 VAL 90 90.012 2.668 6.810 648 HG12 VAL 90 HG12 VAL 90 91.473 3.111 5.926 649 HG13 VAL 90 HG13 VAL 90 90.635 1.605 5.551 650 HG21 VAL 90 HG21 VAL 90 89.363 5.382 4.096 651 HG22 VAL 90 HG22 VAL 90 90.982 5.055 4.718 652 HG23 VAL 90 HG23 VAL 90 89.632 5.260 5.834 653 H LEU 91 HN LEU 91 90.988 4.355 1.676 654 HA LEU 91 HA LEU 91 93.540 3.196 1.392 655 HB2 LEU 91 HB2 LEU 91 92.488 4.732 -0.263 656 HB3 LEU 91 HB1 LEU 91 92.703 6.063 0.870 657 HG LEU 91 HG LEU 91 95.146 5.742 0.803 658 HD11 LEU 91 HD11 LEU 91 95.891 4.203 -1.231 659 HD12 LEU 91 HD12 LEU 91 94.365 3.385 -0.897 660 HD13 LEU 91 HD13 LEU 91 95.601 3.498 0.356 661 HD21 LEU 91 HD21 LEU 91 93.847 5.949 -1.936 662 HD22 LEU 91 HD22 LEU 91 95.483 6.482 -1.547 663 HD23 LEU 91 HD23 LEU 91 94.096 7.282 -0.807 664 H GLY 92 HN GLY 92 95.415 3.447 2.495 665 HA2 GLY 92 HA2 GLY 92 96.940 4.859 3.772 666 HA3 GLY 92 HA1 GLY 92 95.545 5.526 4.612 667 H LEU 93 HN LEU 93 96.897 2.261 3.955 668 HA LEU 93 HA LEU 93 96.193 1.457 6.704 669 HB2 LEU 93 HB2 LEU 93 97.306 -0.314 4.526 670 HB3 LEU 93 HB1 LEU 93 96.463 -0.796 5.995 671 HG LEU 93 HG LEU 93 95.274 0.671 3.626 672 HD11 LEU 93 HD11 LEU 93 94.893 -2.097 4.799 673 HD12 LEU 93 HD12 LEU 93 95.542 -1.697 3.209 674 HD13 LEU 93 HD13 LEU 93 93.840 -1.402 3.566 675 HD21 LEU 93 HD21 LEU 93 94.198 0.039 6.381 676 HD22 LEU 93 HD22 LEU 93 93.117 0.243 5.002 677 HD23 LEU 93 HD23 LEU 93 94.155 1.573 5.512 678 HA PRO 94 HA PRO 94 100.620 2.376 7.277 679 HB2 PRO 94 HB2 PRO 94 100.419 1.580 10.064 680 HB3 PRO 94 HB1 PRO 94 100.671 3.196 9.392 681 HG2 PRO 94 HG2 PRO 94 98.322 2.212 10.617 682 HG3 PRO 94 HG1 PRO 94 98.525 3.754 9.776 683 HD2 PRO 94 HD2 PRO 94 97.087 1.370 8.877 684 HD3 PRO 94 HD1 PRO 94 97.112 2.993 8.160 685 H ASP 95 HN ASP 95 102.304 1.110 7.057 686 HA ASP 95 HA ASP 95 101.969 -1.756 6.909 687 HB2 ASP 95 HB2 ASP 95 104.285 -1.766 6.104 688 HB3 ASP 95 HB1 ASP 95 103.340 -0.534 5.267 689 H GLY 96 HN GLY 96 103.912 -3.127 7.780 690 HA2 GLY 96 HA2 GLY 96 105.411 -3.645 9.542 691 HA3 GLY 96 HA1 GLY 96 104.772 -2.293 10.468 692 H LEU 97 HN LEU 97 102.443 -4.306 8.951 693 HA LEU 97 HA LEU 97 101.327 -5.089 11.472 694 HB2 LEU 97 HB2 LEU 97 100.661 -5.558 8.584 695 HB3 LEU 97 HB1 LEU 97 99.874 -6.551 9.810 696 HG LEU 97 HG LEU 97 99.057 -4.542 10.947 697 HD11 LEU 97 HD11 LEU 97 100.560 -3.103 8.740 698 HD12 LEU 97 HD12 LEU 97 100.843 -2.979 10.478 699 HD13 LEU 97 HD13 LEU 97 99.364 -2.325 9.777 700 HD21 LEU 97 HD21 LEU 97 97.510 -3.757 9.174 701 HD22 LEU 97 HD22 LEU 97 97.690 -5.511 9.142 702 HD23 LEU 97 HD23 LEU 97 98.537 -4.517 7.957 703 H GLU 98 HN GLU 98 101.210 -7.084 12.412 704 HA GLU 98 HA GLU 98 103.244 -9.055 11.558 705 HB2 GLU 98 HB2 GLU 98 103.358 -8.126 13.886 706 HB3 GLU 98 HB1 GLU 98 101.767 -8.821 14.194 707 HG2 GLU 98 HG2 GLU 98 103.411 -10.370 15.034 708 HG3 GLU 98 HG1 GLU 98 102.714 -11.076 13.580 709 H HIS 99 HN HIS 99 102.475 -10.693 10.404 710 HA HIS 99 HA HIS 99 99.650 -11.367 10.435 711 HB2 HIS 99 HB2 HIS 99 101.984 -12.550 8.913 712 HB3 HIS 99 HB1 HIS 99 100.297 -12.996 8.677 713 HD1 HIS 99 HD1 HIS 99 98.682 -10.782 8.126 714 HD2 HIS 99 HD2 HIS 99 102.754 -10.459 7.286 715 HE1 HIS 99 HE1 HIS 99 98.923 -8.895 6.451 716 H HIS 100 HN HIS 100 98.760 -13.323 11.102 717 HA HIS 100 HA HIS 100 99.897 -14.537 13.376 718 HB2 HIS 100 HB2 HIS 100 98.087 -16.155 13.218 719 HB3 HIS 100 HB1 HIS 100 97.472 -14.536 12.893 720 HD1 HIS 100 HD1 HIS 100 96.055 -17.111 11.811 721 HD2 HIS 100 HD2 HIS 100 98.752 -14.811 9.614 722 HE1 HIS 100 HE1 HIS 100 95.541 -17.541 9.369 723 H HIS 101 HN HIS 101 101.269 -16.181 13.637 724 HA HIS 101 HA HIS 101 102.950 -17.652 13.018 725 HB2 HIS 101 HB2 HIS 101 100.591 -18.788 11.501 726 HB3 HIS 101 HB1 HIS 101 102.049 -19.673 11.953 727 HD1 HIS 101 HD1 HIS 101 102.541 -19.720 14.642 728 HD2 HIS 101 HD2 HIS 101 98.652 -18.758 13.489 729 HE1 HIS 101 HE1 HIS 101 101.095 -19.985 16.704 730 H HIS 102 HN HIS 102 104.107 -16.024 11.770 731 HA HIS 102 HA HIS 102 103.706 -15.691 8.978 732 HB2 HIS 102 HB2 HIS 102 104.956 -14.089 10.444 733 HB3 HIS 102 HB1 HIS 102 106.266 -15.266 10.533 734 HD1 HIS 102 HD1 HIS 102 107.654 -15.687 8.381 735 HD2 HIS 102 HD2 HIS 102 104.688 -12.796 7.919 736 HE1 HIS 102 HE1 HIS 102 108.142 -14.503 6.196 737 H HIS 103 HN HIS 103 104.850 -16.545 7.241 738 HA HIS 103 HA HIS 103 105.778 -19.273 7.640 739 HB2 HIS 103 HB2 HIS 103 105.392 -17.605 5.144 740 HB3 HIS 103 HB1 HIS 103 105.872 -19.303 5.154 741 HD1 HIS 103 HD1 HIS 103 103.261 -17.587 7.328 742 HD2 HIS 103 HD2 HIS 103 103.513 -20.593 4.450 743 HE1 HIS 103 HE1 HIS 103 100.962 -18.639 7.189 744 H HIS 104 HN HIS 104 107.827 -19.930 7.614 745 HA HIS 104 HA HIS 104 109.959 -18.155 6.612 746 HB2 HIS 104 HB2 HIS 104 111.262 -18.429 8.656 747 HB3 HIS 104 HB1 HIS 104 109.706 -17.686 9.033 748 HD1 HIS 104 HD1 HIS 104 107.836 -19.330 10.031 749 HD2 HIS 104 HD2 HIS 104 111.700 -20.890 9.912 750 HE1 HIS 104 HE1 HIS 104 107.841 -21.349 11.562 Start of MODEL 12 1 H1 TRP 1 HT1 TRP 1 54.400 -14.880 -7.212 2 H2 TRP 1 HT2 TRP 1 55.286 -14.519 -5.808 3 H3 TRP 1 HT3 TRP 1 55.728 -15.842 -6.779 4 HA TRP 1 HA TRP 1 56.326 -14.374 -8.582 5 HB2 TRP 1 HB2 TRP 1 55.477 -12.234 -6.610 6 HB3 TRP 1 HB1 TRP 1 56.357 -11.911 -8.106 7 HD1 TRP 1 HD1 TRP 1 52.935 -12.279 -6.796 8 HE1 TRP 1 HE1 TRP 1 51.235 -12.475 -8.721 9 HE3 TRP 1 HE3 TRP 1 56.119 -13.079 -10.707 10 HZ2 TRP 1 HZ2 TRP 1 51.223 -12.909 -11.551 11 HZ3 TRP 1 HZ3 TRP 1 55.239 -13.379 -13.002 12 HH2 TRP 1 HH2 TRP 1 52.798 -13.296 -13.432 13 H ARG 2 HN ARG 2 58.504 -13.979 -8.733 14 HA ARG 2 HA ARG 2 60.057 -14.362 -6.257 15 HB2 ARG 2 HB2 ARG 2 60.802 -14.613 -9.176 16 HB3 ARG 2 HB1 ARG 2 61.930 -14.833 -7.835 17 HG2 ARG 2 HG2 ARG 2 60.572 -16.657 -6.944 18 HG3 ARG 2 HG1 ARG 2 59.362 -16.406 -8.203 19 HD2 ARG 2 HD2 ARG 2 60.811 -18.270 -8.825 20 HD3 ARG 2 HD1 ARG 2 61.074 -16.918 -9.923 21 HE ARG 2 HE ARG 2 63.212 -16.616 -8.998 22 HH11 ARG 2 HH21 ARG 2 61.314 -18.721 -7.031 23 HH12 ARG 2 HH22 ARG 2 62.674 -19.425 -6.222 24 HH21 ARG 2 HH11 ARG 2 65.015 -17.628 -8.041 25 HH22 ARG 2 HH12 ARG 2 64.772 -18.806 -6.795 26 H LEU 3 HN LEU 3 61.774 -13.065 -5.703 27 HA LEU 3 HA LEU 3 61.509 -10.276 -6.462 28 HB2 LEU 3 HB2 LEU 3 61.806 -11.048 -4.110 29 HB3 LEU 3 HB1 LEU 3 63.419 -11.605 -4.522 30 HG LEU 3 HG LEU 3 62.708 -8.749 -5.175 31 HD11 LEU 3 HD11 LEU 3 63.596 -9.567 -2.399 32 HD12 LEU 3 HD12 LEU 3 61.919 -9.190 -2.798 33 HD13 LEU 3 HD13 LEU 3 63.159 -7.955 -2.960 34 HD21 LEU 3 HD21 LEU 3 65.209 -10.273 -4.403 35 HD22 LEU 3 HD22 LEU 3 65.151 -8.520 -4.299 36 HD23 LEU 3 HD23 LEU 3 64.903 -9.312 -5.849 37 H GLU 4 HN GLU 4 62.266 -10.114 -8.547 38 HA GLU 4 HA GLU 4 64.760 -11.232 -9.421 39 HB2 GLU 4 HB2 GLU 4 62.957 -9.101 -10.587 40 HB3 GLU 4 HB1 GLU 4 64.400 -9.711 -11.391 41 HG2 GLU 4 HG2 GLU 4 63.490 -11.948 -11.468 42 HG3 GLU 4 HG1 GLU 4 62.108 -11.469 -10.485 43 H ILE 5 HN ILE 5 66.763 -10.369 -9.272 44 HA ILE 5 HA ILE 5 67.056 -7.758 -7.948 45 HB ILE 5 HB ILE 5 68.329 -9.723 -7.101 46 HG12 ILE 5 HG12 ILE 5 70.168 -7.679 -8.340 47 HG13 ILE 5 HG11 ILE 5 69.128 -7.306 -6.970 48 HG21 ILE 5 HG21 ILE 5 68.632 -10.615 -9.544 49 HG22 ILE 5 HG22 ILE 5 69.935 -10.854 -8.380 50 HG23 ILE 5 HG23 ILE 5 70.049 -9.562 -9.572 51 HD11 ILE 5 HD11 ILE 5 70.181 -9.089 -5.656 52 HD12 ILE 5 HD12 ILE 5 71.407 -7.963 -6.240 53 HD13 ILE 5 HD13 ILE 5 71.195 -9.525 -7.031 54 H LEU 6 HN LEU 6 67.154 -6.023 -9.252 55 HA LEU 6 HA LEU 6 67.951 -6.382 -12.047 56 HB2 LEU 6 HB2 LEU 6 66.565 -4.219 -10.485 57 HB3 LEU 6 HB1 LEU 6 67.234 -3.870 -12.080 58 HG LEU 6 HG LEU 6 65.922 -5.717 -13.048 59 HD11 LEU 6 HD11 LEU 6 64.115 -6.716 -11.550 60 HD12 LEU 6 HD12 LEU 6 65.033 -6.085 -10.182 61 HD13 LEU 6 HD13 LEU 6 65.758 -7.278 -11.260 62 HD21 LEU 6 HD21 LEU 6 63.672 -4.718 -12.745 63 HD22 LEU 6 HD22 LEU 6 64.907 -3.475 -12.956 64 HD23 LEU 6 HD23 LEU 6 64.268 -3.823 -11.348 65 H GLU 7 HN GLU 7 68.706 -3.639 -9.801 66 HA GLU 7 HA GLU 7 71.501 -3.780 -10.826 67 HB2 GLU 7 HB2 GLU 7 69.772 -1.364 -10.287 68 HB3 GLU 7 HB1 GLU 7 71.511 -1.283 -10.556 69 HG2 GLU 7 HG2 GLU 7 71.249 -2.313 -12.758 70 HG3 GLU 7 HG1 GLU 7 69.516 -2.495 -12.490 71 H LEU 8 HN LEU 8 72.954 -4.156 -9.321 72 HA LEU 8 HA LEU 8 72.470 -3.207 -6.550 73 HB2 LEU 8 HB2 LEU 8 74.005 -5.194 -5.935 74 HB3 LEU 8 HB1 LEU 8 72.334 -5.554 -6.366 75 HG LEU 8 HG LEU 8 74.531 -5.577 -8.444 76 HD11 LEU 8 HD11 LEU 8 74.530 -8.106 -8.058 77 HD12 LEU 8 HD12 LEU 8 73.726 -7.771 -6.525 78 HD13 LEU 8 HD13 LEU 8 75.340 -7.131 -6.832 79 HD21 LEU 8 HD21 LEU 8 72.860 -6.177 -9.841 80 HD22 LEU 8 HD22 LEU 8 71.695 -5.974 -8.541 81 HD23 LEU 8 HD23 LEU 8 72.435 -7.546 -8.820 82 H LEU 9 HN LEU 9 73.963 -1.821 -5.801 83 HA LEU 9 HA LEU 9 76.431 -1.413 -7.363 84 HB2 LEU 9 HB2 LEU 9 75.213 0.191 -5.103 85 HB3 LEU 9 HB1 LEU 9 76.708 0.603 -5.940 86 HG LEU 9 HG LEU 9 73.996 0.320 -7.279 87 HD11 LEU 9 HD11 LEU 9 74.076 2.776 -7.471 88 HD12 LEU 9 HD12 LEU 9 75.601 2.802 -6.585 89 HD13 LEU 9 HD13 LEU 9 74.122 2.285 -5.779 90 HD21 LEU 9 HD21 LEU 9 76.785 0.892 -8.266 91 HD22 LEU 9 HD22 LEU 9 75.427 1.674 -9.075 92 HD23 LEU 9 HD23 LEU 9 75.514 -0.081 -9.008 93 H LYS 10 HN LYS 10 78.050 -2.630 -6.818 94 HA LYS 10 HA LYS 10 78.624 -3.131 -3.953 95 HB2 LYS 10 HB2 LYS 10 79.412 -5.105 -6.091 96 HB3 LYS 10 HB1 LYS 10 79.166 -5.374 -4.372 97 HG2 LYS 10 HG2 LYS 10 76.696 -4.506 -5.796 98 HG3 LYS 10 HG1 LYS 10 77.341 -6.027 -6.363 99 HD2 LYS 10 HD2 LYS 10 75.757 -6.464 -4.603 100 HD3 LYS 10 HD1 LYS 10 77.367 -6.836 -4.000 101 HE2 LYS 10 HE2 LYS 10 77.461 -4.742 -2.786 102 HE3 LYS 10 HE1 LYS 10 75.962 -4.193 -3.532 103 HZ1 LYS 10 HZ1 LYS 10 75.611 -5.052 -1.290 104 HZ2 LYS 10 HZ2 LYS 10 76.238 -6.561 -1.758 105 HZ3 LYS 10 HZ3 LYS 10 74.793 -5.989 -2.442 106 H ASN 11 HN ASN 11 81.041 -4.084 -3.887 107 HA ASN 11 HA ASN 11 83.275 -3.555 -4.051 108 HB2 ASN 11 HB2 ASN 11 82.684 -4.217 -6.492 109 HB3 ASN 11 HB1 ASN 11 82.740 -2.487 -6.822 110 HD21 ASN 11 HD21 ASN 11 84.710 -2.585 -8.089 111 HD22 ASN 11 HD22 ASN 11 86.208 -2.971 -7.390 112 H ALA 12 HN ALA 12 83.810 -1.904 -2.731 113 HA ALA 12 HA ALA 12 83.687 0.819 -3.809 114 HB1 ALA 12 HB1 ALA 12 82.119 -0.087 -1.412 115 HB2 ALA 12 HB2 ALA 12 81.555 0.801 -2.826 116 HB3 ALA 12 HB3 ALA 12 82.579 1.603 -1.634 117 H ALA 13 HN ALA 13 85.236 2.063 -3.213 118 HA ALA 13 HA ALA 13 86.890 1.460 -0.825 119 HB1 ALA 13 HB1 ALA 13 88.837 2.324 -2.109 120 HB2 ALA 13 HB2 ALA 13 87.817 2.458 -3.542 121 HB3 ALA 13 HB3 ALA 13 88.165 0.873 -2.852 122 H VAL 14 HN VAL 14 86.999 3.212 0.529 123 HA VAL 14 HA VAL 14 86.127 5.842 -0.559 124 HB VAL 14 HB VAL 14 85.140 6.289 1.660 125 HG11 VAL 14 HG11 VAL 14 83.167 4.957 1.303 126 HG12 VAL 14 HG12 VAL 14 84.088 3.724 0.445 127 HG13 VAL 14 HG13 VAL 14 83.853 5.313 -0.283 128 HG21 VAL 14 HG21 VAL 14 84.739 4.188 3.080 129 HG22 VAL 14 HG22 VAL 14 86.369 4.860 3.121 130 HG23 VAL 14 HG23 VAL 14 86.028 3.436 2.140 131 H ARG 15 HN ARG 15 87.429 7.404 -0.395 132 HA ARG 15 HA ARG 15 89.914 7.230 1.078 133 HB2 ARG 15 HB2 ARG 15 88.687 9.458 -0.550 134 HB3 ARG 15 HB1 ARG 15 90.265 9.564 0.230 135 HG2 ARG 15 HG2 ARG 15 90.936 7.485 -1.036 136 HG3 ARG 15 HG1 ARG 15 89.418 7.612 -1.927 137 HD2 ARG 15 HD2 ARG 15 91.452 9.843 -1.755 138 HD3 ARG 15 HD1 ARG 15 91.392 8.683 -3.078 139 HE ARG 15 HE ARG 15 88.834 9.745 -2.880 140 HH11 ARG 15 HH21 ARG 15 90.467 12.225 -2.119 141 HH12 ARG 15 HH22 ARG 15 90.679 12.977 -3.665 142 HH21 ARG 15 HH11 ARG 15 89.792 10.153 -5.464 143 HH22 ARG 15 HH12 ARG 15 90.299 11.807 -5.555 144 H ALA 16 HN ALA 16 90.587 9.009 2.562 145 HA ALA 16 HA ALA 16 88.739 9.253 4.708 146 HB1 ALA 16 HB1 ALA 16 91.228 9.333 4.963 147 HB2 ALA 16 HB2 ALA 16 90.407 10.679 5.753 148 HB3 ALA 16 HB3 ALA 16 91.216 10.926 4.205 149 H GLY 17 HN GLY 17 87.167 10.753 5.093 150 HA2 GLY 17 HA2 GLY 17 85.921 12.691 4.885 151 HA3 GLY 17 HA1 GLY 17 87.309 13.435 4.094 152 H ALA 18 HN ALA 18 85.585 10.499 3.136 153 HA ALA 18 HA ALA 18 84.691 11.855 0.651 154 HB1 ALA 18 HB1 ALA 18 86.696 10.235 0.458 155 HB2 ALA 18 HB2 ALA 18 85.351 10.026 -0.663 156 HB3 ALA 18 HB3 ALA 18 85.510 8.958 0.732 157 H GLN 19 HN GLN 19 82.778 11.077 -0.291 158 HA GLN 19 HA GLN 19 80.935 9.758 1.612 159 HB2 GLN 19 HB2 GLN 19 80.388 12.039 0.662 160 HB3 GLN 19 HB1 GLN 19 80.254 11.269 -0.918 161 HG2 GLN 19 HG2 GLN 19 78.476 9.818 -0.118 162 HG3 GLN 19 HG1 GLN 19 78.670 10.429 1.523 163 HE21 GLN 19 HE21 GLN 19 76.196 10.613 -0.030 164 HE22 GLN 19 HE22 GLN 19 75.876 12.264 -0.254 165 H ALA 20 HN ALA 20 79.388 8.182 0.712 166 HA ALA 20 HA ALA 20 80.173 6.906 -1.817 167 HB1 ALA 20 HB1 ALA 20 80.254 4.676 -0.715 168 HB2 ALA 20 HB2 ALA 20 80.155 5.476 0.853 169 HB3 ALA 20 HB3 ALA 20 81.552 5.746 -0.188 170 H CYS 21 HN CYS 21 78.551 5.554 -2.692 171 HA CYS 21 HA CYS 21 75.928 5.630 -1.318 172 HB2 CYS 21 HB2 CYS 21 76.134 6.066 -4.285 173 HB3 CYS 21 HB1 CYS 21 74.824 6.490 -3.184 174 HG CYS 21 HG CYS 21 75.996 8.724 -3.424 175 H PHE 22 HN PHE 22 74.758 3.863 -1.421 176 HA PHE 22 HA PHE 22 75.443 1.695 -3.336 177 HB2 PHE 22 HB2 PHE 22 74.816 1.335 -0.384 178 HB3 PHE 22 HB1 PHE 22 75.083 0.044 -1.553 179 HD1 PHE 22 HD1 PHE 22 76.659 2.771 0.354 180 HD2 PHE 22 HD2 PHE 22 77.316 -0.489 -2.360 181 HE1 PHE 22 HE1 PHE 22 79.088 2.894 0.804 182 HE2 PHE 22 HE2 PHE 22 79.752 -0.367 -1.911 183 HZ PHE 22 HZ PHE 22 80.634 1.329 -0.323 184 H THR 23 HN THR 23 73.608 1.177 -4.455 185 HA THR 23 HA THR 23 70.998 1.409 -3.057 186 HB THR 23 HB THR 23 69.971 2.441 -4.985 187 HG1 THR 23 HG1 THR 23 70.959 1.767 -6.740 188 HG21 THR 23 HG21 THR 23 72.546 3.793 -4.144 189 HG22 THR 23 HG22 THR 23 70.926 4.069 -3.507 190 HG23 THR 23 HG23 THR 23 71.329 4.580 -5.146 191 H CYS 24 HN CYS 24 69.659 -0.305 -3.401 192 HA CYS 24 HA CYS 24 70.393 -2.202 -5.571 193 HB2 CYS 24 HB2 CYS 24 69.727 -2.678 -2.684 194 HB3 CYS 24 HB1 CYS 24 69.342 -3.913 -3.882 195 HG CYS 24 HG CYS 24 72.122 -3.240 -4.461 196 H THR 25 HN THR 25 68.890 -1.297 -6.964 197 HA THR 25 HA THR 25 66.129 -0.921 -6.309 198 HB THR 25 HB THR 25 65.810 -0.740 -8.766 199 HG1 THR 25 HG1 THR 25 67.986 -2.214 -8.767 200 HG21 THR 25 HG21 THR 25 66.494 1.260 -7.609 201 HG22 THR 25 HG22 THR 25 67.421 1.164 -9.106 202 HG23 THR 25 HG23 THR 25 68.175 0.726 -7.574 203 H LEU 26 HN LEU 26 64.827 -2.583 -5.769 204 HA LEU 26 HA LEU 26 65.157 -5.171 -7.176 205 HB2 LEU 26 HB2 LEU 26 63.942 -4.502 -4.493 206 HB3 LEU 26 HB1 LEU 26 63.980 -6.115 -5.207 207 HG LEU 26 HG LEU 26 66.429 -4.423 -4.633 208 HD11 LEU 26 HD11 LEU 26 65.008 -6.555 -3.050 209 HD12 LEU 26 HD12 LEU 26 65.649 -5.007 -2.504 210 HD13 LEU 26 HD13 LEU 26 66.750 -6.332 -2.876 211 HD21 LEU 26 HD21 LEU 26 65.963 -7.093 -5.921 212 HD22 LEU 26 HD22 LEU 26 67.372 -6.940 -4.869 213 HD23 LEU 26 HD23 LEU 26 67.191 -5.876 -6.259 214 H SER 27 HN SER 27 63.509 -6.201 -8.045 215 HA SER 27 HA SER 27 61.343 -4.761 -9.119 216 HB2 SER 27 HB2 SER 27 62.412 -6.912 -9.988 217 HB3 SER 27 HB1 SER 27 61.418 -7.762 -8.810 218 HG SER 27 HG SER 27 59.606 -7.027 -9.821 219 H GLU 28 HN GLU 28 61.667 -6.604 -6.140 220 HA GLU 28 HA GLU 28 58.786 -6.071 -5.567 221 HB2 GLU 28 HB2 GLU 28 59.194 -8.459 -5.969 222 HB3 GLU 28 HB1 GLU 28 60.434 -8.465 -4.717 223 HG2 GLU 28 HG2 GLU 28 58.789 -7.880 -3.021 224 HG3 GLU 28 HG1 GLU 28 57.535 -7.717 -4.250 225 H ALA 29 HN ALA 29 58.232 -5.363 -3.573 226 HA ALA 29 HA ALA 29 60.340 -4.149 -1.972 227 HB1 ALA 29 HB1 ALA 29 57.324 -4.059 -1.861 228 HB2 ALA 29 HB2 ALA 29 58.435 -2.767 -2.318 229 HB3 ALA 29 HB3 ALA 29 58.346 -3.300 -0.638 230 H VAL 30 HN VAL 30 60.844 -4.680 0.148 231 HA VAL 30 HA VAL 30 59.736 -7.235 1.165 232 HB VAL 30 HB VAL 30 62.481 -6.062 1.634 233 HG11 VAL 30 HG11 VAL 30 61.625 -7.542 3.442 234 HG12 VAL 30 HG12 VAL 30 62.983 -8.259 2.585 235 HG13 VAL 30 HG13 VAL 30 61.345 -8.807 2.244 236 HG21 VAL 30 HG21 VAL 30 62.294 -6.721 -0.684 237 HG22 VAL 30 HG22 VAL 30 61.485 -8.225 -0.244 238 HG23 VAL 30 HG23 VAL 30 63.188 -7.988 0.156 239 HA PRO 31 HA PRO 31 58.430 -4.664 4.609 240 HB2 PRO 31 HB2 PRO 31 58.384 -6.861 6.511 241 HB3 PRO 31 HB1 PRO 31 57.015 -6.052 5.744 242 HG2 PRO 31 HG2 PRO 31 57.968 -8.658 5.230 243 HG3 PRO 31 HG1 PRO 31 56.725 -7.778 4.335 244 HD2 PRO 31 HD2 PRO 31 59.474 -8.379 3.534 245 HD3 PRO 31 HD1 PRO 31 58.129 -7.752 2.557 246 H VAL 32 HN VAL 32 59.273 -5.647 7.364 247 HA VAL 32 HA VAL 32 62.158 -4.983 7.189 248 HB VAL 32 HB VAL 32 61.119 -2.993 7.983 249 HG11 VAL 32 HG11 VAL 32 59.546 -4.713 9.927 250 HG12 VAL 32 HG12 VAL 32 58.894 -3.984 8.461 251 HG13 VAL 32 HG13 VAL 32 59.456 -2.962 9.780 252 HG21 VAL 32 HG21 VAL 32 62.073 -2.748 10.151 253 HG22 VAL 32 HG22 VAL 32 63.054 -3.977 9.353 254 HG23 VAL 32 HG23 VAL 32 61.834 -4.452 10.534 255 H GLY 33 HN GLY 33 63.262 -6.650 7.806 256 HA2 GLY 33 HA2 GLY 33 63.812 -7.882 9.984 257 HA3 GLY 33 HA1 GLY 33 62.178 -8.520 9.834 258 H GLU 34 HN GLU 34 62.396 -8.624 6.846 259 HA GLU 34 HA GLU 34 63.789 -11.205 6.714 260 HB2 GLU 34 HB2 GLU 34 61.965 -9.768 4.781 261 HB3 GLU 34 HB1 GLU 34 62.709 -11.337 4.461 262 HG2 GLU 34 HG2 GLU 34 61.626 -12.280 6.449 263 HG3 GLU 34 HG1 GLU 34 60.918 -10.711 6.827 264 H ALA 35 HN ALA 35 64.315 -7.929 5.949 265 HA ALA 35 HA ALA 35 66.457 -8.573 4.003 266 HB1 ALA 35 HB1 ALA 35 66.368 -6.239 3.363 267 HB2 ALA 35 HB2 ALA 35 65.264 -5.870 4.687 268 HB3 ALA 35 HB3 ALA 35 64.724 -6.877 3.343 269 H SER 36 HN SER 36 68.578 -8.069 4.480 270 HA SER 36 HA SER 36 69.123 -6.854 7.137 271 HB2 SER 36 HB2 SER 36 70.545 -9.196 5.855 272 HB3 SER 36 HB1 SER 36 70.966 -8.445 7.396 273 HG SER 36 HG SER 36 68.949 -10.196 6.760 274 H TRP 37 HN TRP 37 70.733 -5.431 7.264 275 HA TRP 37 HA TRP 37 72.584 -5.045 5.008 276 HB2 TRP 37 HB2 TRP 37 70.869 -2.873 6.242 277 HB3 TRP 37 HB1 TRP 37 72.234 -2.577 5.169 278 HD1 TRP 37 HD1 TRP 37 68.646 -3.752 5.207 279 HE1 TRP 37 HE1 TRP 37 67.816 -4.026 2.781 280 HE3 TRP 37 HE3 TRP 37 73.051 -3.170 2.699 281 HZ2 TRP 37 HZ2 TRP 37 68.881 -4.000 0.126 282 HZ3 TRP 37 HZ3 TRP 37 73.118 -3.298 0.225 283 HH2 TRP 37 HH2 TRP 37 71.042 -3.713 -1.062 284 H TYR 38 HN TYR 38 74.444 -5.463 6.008 285 HA TYR 38 HA TYR 38 75.302 -3.707 8.147 286 HB2 TYR 38 HB2 TYR 38 75.144 -6.678 8.707 287 HB3 TYR 38 HB1 TYR 38 75.884 -5.464 9.755 288 HD1 TYR 38 HD2 TYR 38 72.708 -6.784 8.413 289 HD2 TYR 38 HD1 TYR 38 74.519 -3.883 11.011 290 HE1 TYR 38 HE2 TYR 38 70.497 -6.321 9.430 291 HE2 TYR 38 HE1 TYR 38 72.305 -3.420 12.033 292 HH TYR 38 HH TYR 38 69.442 -5.316 11.152 293 H ILE 39 HN ILE 39 77.481 -3.900 8.678 294 HA ILE 39 HA ILE 39 79.171 -5.345 6.723 295 HB ILE 39 HB ILE 39 80.723 -3.512 6.701 296 HG12 ILE 39 HG12 ILE 39 80.580 -2.763 9.027 297 HG13 ILE 39 HG11 ILE 39 80.324 -1.405 7.946 298 HG21 ILE 39 HG21 ILE 39 78.007 -2.212 6.467 299 HG22 ILE 39 HG22 ILE 39 78.610 -3.378 5.291 300 HG23 ILE 39 HG23 ILE 39 79.469 -1.860 5.547 301 HD11 ILE 39 HD11 ILE 39 77.761 -2.063 8.259 302 HD12 ILE 39 HD12 ILE 39 78.595 -1.054 9.435 303 HD13 ILE 39 HD13 ILE 39 78.370 -2.767 9.756 304 H ASN 40 HN ASN 40 80.676 -6.750 7.744 305 HA ASN 40 HA ASN 40 80.470 -7.059 10.530 306 HB2 ASN 40 HB2 ASN 40 81.190 -8.746 8.691 307 HB3 ASN 40 HB1 ASN 40 82.794 -8.042 8.883 308 HD21 ASN 40 HD21 ASN 40 83.744 -9.900 9.917 309 HD22 ASN 40 HD22 ASN 40 83.269 -10.419 11.462 310 H GLY 41 HN GLY 41 81.329 -5.881 12.064 311 HA2 GLY 41 HA2 GLY 41 83.429 -5.105 13.094 312 HA3 GLY 41 HA1 GLY 41 83.844 -4.391 11.538 313 H ALA 42 HN ALA 42 80.579 -3.942 11.798 314 HA ALA 42 HA ALA 42 80.529 -1.750 13.654 315 HB1 ALA 42 HB1 ALA 42 80.821 -1.184 10.712 316 HB2 ALA 42 HB2 ALA 42 81.716 -0.486 12.062 317 HB3 ALA 42 HB3 ALA 42 80.032 -0.038 11.794 318 H ALA 43 HN ALA 43 78.793 -3.633 13.907 319 HA ALA 43 HA ALA 43 76.541 -3.842 12.311 320 HB1 ALA 43 HB1 ALA 43 76.796 -3.866 15.326 321 HB2 ALA 43 HB2 ALA 43 76.726 -5.253 14.241 322 HB3 ALA 43 HB3 ALA 43 75.294 -4.252 14.486 323 H VAL 44 HN VAL 44 75.446 -2.178 11.425 324 HA VAL 44 HA VAL 44 75.330 0.396 12.710 325 HB VAL 44 HB VAL 44 74.259 1.173 10.737 326 HG11 VAL 44 HG11 VAL 44 76.674 0.467 10.590 327 HG12 VAL 44 HG12 VAL 44 75.829 0.469 9.043 328 HG13 VAL 44 HG13 VAL 44 76.127 -1.053 9.879 329 HG21 VAL 44 HG21 VAL 44 73.549 -1.736 10.362 330 HG22 VAL 44 HG22 VAL 44 73.640 -0.670 8.961 331 HG23 VAL 44 HG23 VAL 44 72.509 -0.314 10.264 332 H GLN 45 HN GLN 45 74.014 0.915 14.225 333 HA GLN 45 HA GLN 45 71.551 -0.535 14.742 334 HB2 GLN 45 HB2 GLN 45 73.074 1.691 16.094 335 HB3 GLN 45 HB1 GLN 45 71.427 1.321 16.593 336 HG2 GLN 45 HG2 GLN 45 72.039 -0.957 17.145 337 HG3 GLN 45 HG1 GLN 45 73.643 -0.743 16.445 338 HE21 GLN 45 HE21 GLN 45 73.679 -1.557 19.046 339 HE22 GLN 45 HE22 GLN 45 74.069 -0.274 20.089 340 HA PRO 46 HA PRO 46 68.713 2.015 12.520 341 HB2 PRO 46 HB2 PRO 46 67.036 2.795 14.749 342 HB3 PRO 46 HB1 PRO 46 66.725 1.536 13.544 343 HG2 PRO 46 HG2 PRO 46 67.697 1.272 16.299 344 HG3 PRO 46 HG1 PRO 46 66.971 0.052 15.243 345 HD2 PRO 46 HD2 PRO 46 69.637 0.075 15.934 346 HD3 PRO 46 HD1 PRO 46 69.020 -0.657 14.441 347 H ASP 47 HN ASP 47 70.214 3.166 15.442 348 HA ASP 47 HA ASP 47 69.853 5.995 14.644 349 HB2 ASP 47 HB2 ASP 47 70.557 4.701 17.281 350 HB3 ASP 47 HB1 ASP 47 70.690 6.435 16.993 351 H ASP 48 HN ASP 48 71.815 4.047 13.461 352 HA ASP 48 HA ASP 48 74.409 4.539 14.446 353 HB2 ASP 48 HB2 ASP 48 73.769 2.761 12.790 354 HB3 ASP 48 HB1 ASP 48 73.681 4.023 11.565 355 H SER 49 HN SER 49 75.869 6.133 14.100 356 HA SER 49 HA SER 49 74.861 8.649 13.034 357 HB2 SER 49 HB2 SER 49 76.693 9.659 14.133 358 HB3 SER 49 HB1 SER 49 76.148 8.377 15.212 359 HG SER 49 HG SER 49 77.809 7.067 14.371 360 H ASP 50 HN ASP 50 77.443 6.316 12.250 361 HA ASP 50 HA ASP 50 78.463 8.014 10.123 362 HB2 ASP 50 HB2 ASP 50 79.183 5.246 11.090 363 HB3 ASP 50 HB1 ASP 50 79.991 6.057 9.749 364 H TRP 51 HN TRP 51 76.442 5.141 10.419 365 HA TRP 51 HA TRP 51 76.208 5.009 7.459 366 HB2 TRP 51 HB2 TRP 51 75.866 2.946 9.636 367 HB3 TRP 51 HB1 TRP 51 75.169 2.707 8.038 368 HD1 TRP 51 HD1 TRP 51 76.844 2.443 5.981 369 HE1 TRP 51 HE1 TRP 51 79.303 1.679 5.883 370 HE3 TRP 51 HE3 TRP 51 78.141 3.013 10.885 371 HZ2 TRP 51 HZ2 TRP 51 81.531 1.365 7.651 372 HZ3 TRP 51 HZ3 TRP 51 80.433 2.478 11.651 373 HH2 TRP 51 HH2 TRP 51 82.128 1.655 10.042 374 H THR 52 HN THR 52 74.186 4.985 6.501 375 HA THR 52 HA THR 52 71.835 5.326 8.257 376 HB THR 52 HB THR 52 72.391 7.041 5.830 377 HG1 THR 52 HG1 THR 52 73.196 8.393 7.180 378 HG21 THR 52 HG21 THR 52 70.039 6.653 5.994 379 HG22 THR 52 HG22 THR 52 70.340 8.243 6.696 380 HG23 THR 52 HG23 THR 52 70.073 6.851 7.745 381 H VAL 53 HN VAL 53 70.242 3.977 7.733 382 HA VAL 53 HA VAL 53 70.261 2.711 5.049 383 HB VAL 53 HB VAL 53 70.943 1.051 6.680 384 HG11 VAL 53 HG11 VAL 53 69.651 0.596 8.694 385 HG12 VAL 53 HG12 VAL 53 68.453 1.805 8.239 386 HG13 VAL 53 HG13 VAL 53 70.089 2.304 8.669 387 HG21 VAL 53 HG21 VAL 53 69.177 -0.590 6.430 388 HG22 VAL 53 HG22 VAL 53 69.220 0.386 4.964 389 HG23 VAL 53 HG23 VAL 53 67.970 0.669 6.176 390 H THR 54 HN THR 54 68.385 2.727 3.969 391 HA THR 54 HA THR 54 65.887 3.351 5.376 392 HB THR 54 HB THR 54 65.395 5.269 4.162 393 HG1 THR 54 HG1 THR 54 66.359 4.087 2.191 394 HG21 THR 54 HG21 THR 54 67.264 5.622 5.775 395 HG22 THR 54 HG22 THR 54 67.287 6.767 4.437 396 HG23 THR 54 HG23 THR 54 68.403 5.401 4.447 397 H ALA 55 HN ALA 55 63.999 2.900 4.109 398 HA ALA 55 HA ALA 55 64.466 1.241 1.700 399 HB1 ALA 55 HB1 ALA 55 62.722 -0.337 2.557 400 HB2 ALA 55 HB2 ALA 55 62.772 0.514 4.102 401 HB3 ALA 55 HB3 ALA 55 64.203 -0.331 3.517 402 H ASP 56 HN ASP 56 63.621 2.608 0.239 403 HA ASP 56 HA ASP 56 60.889 3.674 0.677 404 HB2 ASP 56 HB2 ASP 56 63.122 4.498 -1.191 405 HB3 ASP 56 HB1 ASP 56 61.477 5.121 -1.315 406 H GLY 57 HN GLY 57 59.374 2.342 -0.132 407 HA2 GLY 57 HA2 GLY 57 58.272 0.921 -1.586 408 HA3 GLY 57 HA1 GLY 57 59.202 1.698 -2.866 409 H SER 58 HN SER 58 60.279 0.251 -4.038 410 HA SER 58 HA SER 58 61.347 -2.175 -2.715 411 HB2 SER 58 HB2 SER 58 59.715 -2.329 -4.701 412 HB3 SER 58 HB1 SER 58 61.066 -1.772 -5.689 413 HG SER 58 HG SER 58 60.668 -4.178 -5.188 414 H HIS 59 HN HIS 59 62.791 0.061 -2.226 415 HA HIS 59 HA HIS 59 65.270 -0.469 -3.721 416 HB2 HIS 59 HB2 HIS 59 64.531 2.397 -3.166 417 HB3 HIS 59 HB1 HIS 59 65.648 1.742 -4.363 418 HD1 HIS 59 HD1 HIS 59 62.191 2.857 -3.922 419 HD2 HIS 59 HD2 HIS 59 64.230 0.407 -6.605 420 HE1 HIS 59 HE1 HIS 59 60.683 2.595 -5.939 421 H HIS 60 HN HIS 60 67.091 -0.331 -2.448 422 HA HIS 60 HA HIS 60 66.714 0.574 0.365 423 HB2 HIS 60 HB2 HIS 60 68.375 -1.693 -0.755 424 HB3 HIS 60 HB1 HIS 60 68.558 -1.075 0.888 425 HD1 HIS 60 HD1 HIS 60 66.751 -1.670 2.595 426 HD2 HIS 60 HD2 HIS 60 65.829 -2.974 -1.256 427 HE1 HIS 60 HE1 HIS 60 64.721 -3.168 2.813 428 H ALA 61 HN ALA 61 67.798 2.411 0.762 429 HA ALA 61 HA ALA 61 70.245 2.987 -0.821 430 HB1 ALA 61 HB1 ALA 61 68.447 4.936 0.635 431 HB2 ALA 61 HB2 ALA 61 68.333 4.563 -1.085 432 HB3 ALA 61 HB3 ALA 61 69.787 5.329 -0.444 433 H LEU 62 HN LEU 62 71.933 2.357 0.301 434 HA LEU 62 HA LEU 62 72.207 3.119 3.151 435 HB2 LEU 62 HB2 LEU 62 72.249 0.657 2.656 436 HB3 LEU 62 HB1 LEU 62 73.643 0.931 1.618 437 HG LEU 62 HG LEU 62 74.676 2.064 3.773 438 HD11 LEU 62 HD11 LEU 62 72.490 1.870 5.046 439 HD12 LEU 62 HD12 LEU 62 73.884 1.177 5.867 440 HD13 LEU 62 HD13 LEU 62 72.732 0.124 5.048 441 HD21 LEU 62 HD21 LEU 62 75.473 -0.211 4.523 442 HD22 LEU 62 HD22 LEU 62 75.639 0.080 2.791 443 HD23 LEU 62 HD23 LEU 62 74.318 -0.921 3.396 444 H LEU 63 HN LEU 63 73.720 4.657 3.589 445 HA LEU 63 HA LEU 63 75.894 5.071 1.594 446 HB2 LEU 63 HB2 LEU 63 75.175 7.495 3.165 447 HB3 LEU 63 HB1 LEU 63 75.579 7.333 1.459 448 HG LEU 63 HG LEU 63 73.293 8.081 1.685 449 HD11 LEU 63 HD11 LEU 63 72.415 5.480 0.851 450 HD12 LEU 63 HD12 LEU 63 74.067 5.713 0.273 451 HD13 LEU 63 HD13 LEU 63 72.815 6.880 -0.137 452 HD21 LEU 63 HD21 LEU 63 71.998 7.429 3.408 453 HD22 LEU 63 HD22 LEU 63 73.280 6.348 3.945 454 HD23 LEU 63 HD23 LEU 63 72.027 5.757 2.855 455 H LEU 64 HN LEU 64 77.414 6.748 2.640 456 HA LEU 64 HA LEU 64 78.069 6.158 5.420 457 HB2 LEU 64 HB2 LEU 64 79.356 4.487 4.012 458 HB3 LEU 64 HB1 LEU 64 80.125 5.858 3.213 459 HG LEU 64 HG LEU 64 80.958 6.651 5.415 460 HD11 LEU 64 HD11 LEU 64 80.917 4.658 7.191 461 HD12 LEU 64 HD12 LEU 64 79.423 4.251 6.352 462 HD13 LEU 64 HD13 LEU 64 79.606 5.830 7.111 463 HD21 LEU 64 HD21 LEU 64 81.725 3.772 4.841 464 HD22 LEU 64 HD22 LEU 64 82.736 5.010 5.588 465 HD23 LEU 64 HD23 LEU 64 82.284 5.149 3.889 466 H ARG 65 HN ARG 65 78.295 8.177 6.254 467 HA ARG 65 HA ARG 65 78.582 10.435 4.571 468 HB2 ARG 65 HB2 ARG 65 79.137 10.215 7.550 469 HB3 ARG 65 HB1 ARG 65 78.935 11.719 6.656 470 HG2 ARG 65 HG2 ARG 65 76.781 9.604 6.625 471 HG3 ARG 65 HG1 ARG 65 76.885 10.768 7.945 472 HD2 ARG 65 HD2 ARG 65 76.804 12.620 6.266 473 HD3 ARG 65 HD1 ARG 65 76.571 11.421 5.000 474 HE ARG 65 HE ARG 65 74.389 11.034 5.789 475 HH11 ARG 65 HH11 ARG 65 75.251 11.386 8.773 476 HH12 ARG 65 HH12 ARG 65 74.262 12.735 9.221 477 HH21 ARG 65 HH21 ARG 65 73.490 13.593 5.951 478 HH22 ARG 65 HH22 ARG 65 73.263 13.985 7.623 479 H SER 66 HN SER 66 80.760 11.286 6.779 480 HA SER 66 HA SER 66 82.969 11.035 4.952 481 HB2 SER 66 HB2 SER 66 84.210 12.331 6.574 482 HB3 SER 66 HB1 SER 66 82.610 13.044 6.361 483 HG SER 66 HG SER 66 83.729 11.751 8.542 484 H ALA 67 HN ALA 67 83.946 9.128 4.750 485 HA ALA 67 HA ALA 67 84.059 7.129 6.764 486 HB1 ALA 67 HB1 ALA 67 85.708 6.059 5.211 487 HB2 ALA 67 HB2 ALA 67 85.632 7.506 4.207 488 HB3 ALA 67 HB3 ALA 67 84.192 6.509 4.430 489 H GLN 68 HN GLN 68 85.671 6.574 8.176 490 HA GLN 68 HA GLN 68 88.059 8.318 8.313 491 HB2 GLN 68 HB2 GLN 68 86.279 7.394 10.574 492 HB3 GLN 68 HB1 GLN 68 87.857 8.146 10.811 493 HG2 GLN 68 HG2 GLN 68 87.076 10.142 9.567 494 HG3 GLN 68 HG1 GLN 68 85.494 9.390 9.375 495 HE21 GLN 68 HE21 GLN 68 87.283 8.915 12.371 496 HE22 GLN 68 HE22 GLN 68 86.295 9.907 13.331 497 HA PRO 69 HA PRO 69 90.268 4.463 8.220 498 HB2 PRO 69 HB2 PRO 69 92.294 5.236 10.142 499 HB3 PRO 69 HB1 PRO 69 92.428 5.168 8.382 500 HG2 PRO 69 HG2 PRO 69 92.129 7.489 10.096 501 HG3 PRO 69 HG1 PRO 69 92.499 7.421 8.367 502 HD2 PRO 69 HD2 PRO 69 90.062 8.281 9.503 503 HD3 PRO 69 HD1 PRO 69 90.329 7.886 7.794 504 H HIS 70 HN HIS 70 88.517 3.381 9.277 505 HA HIS 70 HA HIS 70 89.161 1.860 11.515 506 HB2 HIS 70 HB2 HIS 70 88.955 3.886 12.880 507 HB3 HIS 70 HB1 HIS 70 87.362 4.208 12.206 508 HD1 HIS 70 HD1 HIS 70 85.418 3.152 13.393 509 HD2 HIS 70 HD2 HIS 70 89.037 1.366 14.438 510 HE1 HIS 70 HE1 HIS 70 84.901 1.521 15.262 511 H HIS 71 HN HIS 71 86.809 3.263 9.392 512 HA HIS 71 HA HIS 71 84.674 1.453 10.087 513 HB2 HIS 71 HB2 HIS 71 85.036 3.449 7.849 514 HB3 HIS 71 HB1 HIS 71 83.575 2.488 8.077 515 HD1 HIS 71 HD1 HIS 71 83.518 2.565 11.196 516 HD2 HIS 71 HD2 HIS 71 84.039 5.918 8.775 517 HE1 HIS 71 HE1 HIS 71 82.825 4.565 12.587 518 H ALA 72 HN ALA 72 87.495 1.091 8.286 519 HA ALA 72 HA ALA 72 86.668 -0.352 6.038 520 HB1 ALA 72 HB1 ALA 72 88.889 -1.545 6.271 521 HB2 ALA 72 HB2 ALA 72 89.132 -0.637 7.766 522 HB3 ALA 72 HB3 ALA 72 88.983 0.216 6.229 523 H GLY 73 HN GLY 73 86.245 -2.524 5.669 524 HA2 GLY 73 HA2 GLY 73 86.481 -4.675 7.376 525 HA3 GLY 73 HA1 GLY 73 84.957 -3.915 7.827 526 H GLU 74 HN GLU 74 84.100 -6.059 7.098 527 HA GLU 74 HA GLU 74 83.987 -6.385 4.170 528 HB2 GLU 74 HB2 GLU 74 84.518 -8.353 5.593 529 HB3 GLU 74 HB1 GLU 74 82.931 -8.200 6.346 530 HG2 GLU 74 HG2 GLU 74 81.823 -8.530 4.206 531 HG3 GLU 74 HG1 GLU 74 83.375 -8.550 3.372 532 H VAL 75 HN VAL 75 82.028 -6.536 3.044 533 HA VAL 75 HA VAL 75 79.683 -5.309 4.405 534 HB VAL 75 HB VAL 75 80.540 -5.118 1.507 535 HG11 VAL 75 HG11 VAL 75 78.135 -5.088 1.620 536 HG12 VAL 75 HG12 VAL 75 78.662 -3.416 1.443 537 HG13 VAL 75 HG13 VAL 75 78.160 -4.018 3.023 538 HG21 VAL 75 HG21 VAL 75 80.511 -3.092 3.763 539 HG22 VAL 75 HG22 VAL 75 80.836 -2.708 2.072 540 HG23 VAL 75 HG23 VAL 75 81.940 -3.754 2.967 541 H THR 76 HN THR 76 78.128 -6.792 4.721 542 HA THR 76 HA THR 76 77.559 -8.735 2.551 543 HB THR 76 HB THR 76 77.439 -9.353 5.512 544 HG1 THR 76 HG1 THR 76 79.291 -10.265 3.570 545 HG21 THR 76 HG21 THR 76 75.864 -10.629 4.146 546 HG22 THR 76 HG22 THR 76 77.188 -11.674 4.660 547 HG23 THR 76 HG23 THR 76 77.151 -11.043 3.014 548 H PHE 77 HN PHE 77 75.517 -8.813 1.939 549 HA PHE 77 HA PHE 77 73.344 -8.044 3.759 550 HB2 PHE 77 HB2 PHE 77 73.016 -6.031 2.766 551 HB3 PHE 77 HB1 PHE 77 74.345 -6.335 1.659 552 HD1 PHE 77 HD1 PHE 77 70.748 -7.316 2.167 553 HD2 PHE 77 HD2 PHE 77 73.872 -6.385 -0.630 554 HE1 PHE 77 HE1 PHE 77 69.126 -7.469 0.300 555 HE2 PHE 77 HE2 PHE 77 72.249 -6.546 -2.495 556 HZ PHE 77 HZ PHE 77 69.875 -7.085 -2.032 557 H ALA 78 HN ALA 78 71.395 -9.032 3.261 558 HA ALA 78 HA ALA 78 71.177 -10.688 0.893 559 HB1 ALA 78 HB1 ALA 78 71.208 -12.049 3.586 560 HB2 ALA 78 HB2 ALA 78 72.570 -12.056 2.465 561 HB3 ALA 78 HB3 ALA 78 71.043 -12.809 2.005 562 H CYS 79 HN CYS 79 69.113 -11.625 0.623 563 HA CYS 79 HA CYS 79 67.020 -11.017 2.540 564 HB2 CYS 79 HB2 CYS 79 67.497 -8.916 1.148 565 HB3 CYS 79 HB1 CYS 79 66.811 -9.811 -0.213 566 HG CYS 79 HG CYS 79 64.631 -9.034 0.690 567 H ARG 80 HN ARG 80 65.186 -11.052 0.040 568 HA ARG 80 HA ARG 80 64.448 -13.749 0.150 569 HB2 ARG 80 HB2 ARG 80 64.049 -11.876 -2.199 570 HB3 ARG 80 HB1 ARG 80 63.101 -13.314 -1.832 571 HG2 ARG 80 HG2 ARG 80 63.310 -11.070 0.173 572 HG3 ARG 80 HG1 ARG 80 62.149 -10.985 -1.146 573 HD2 ARG 80 HD2 ARG 80 62.327 -13.287 0.820 574 HD3 ARG 80 HD1 ARG 80 61.191 -11.953 0.950 575 HE ARG 80 HE ARG 80 60.738 -12.894 -1.561 576 HH11 ARG 80 HH11 ARG 80 61.754 -15.553 -0.508 577 HH12 ARG 80 HH12 ARG 80 60.291 -16.300 0.042 578 HH21 ARG 80 HH21 ARG 80 58.476 -13.344 0.050 579 HH22 ARG 80 HH22 ARG 80 58.435 -15.048 0.357 580 H ASP 81 HN ASP 81 66.290 -15.040 -0.031 581 HA ASP 81 HA ASP 81 68.083 -16.082 -1.053 582 HB2 ASP 81 HB2 ASP 81 67.403 -17.424 -2.865 583 HB3 ASP 81 HB1 ASP 81 65.925 -17.127 -1.956 584 H ALA 82 HN ALA 82 67.844 -13.110 -1.482 585 HA ALA 82 HA ALA 82 69.348 -12.844 -4.023 586 HB1 ALA 82 HB1 ALA 82 67.409 -11.373 -3.913 587 HB2 ALA 82 HB2 ALA 82 68.873 -10.403 -3.769 588 HB3 ALA 82 HB3 ALA 82 67.915 -10.771 -2.334 589 H VAL 83 HN VAL 83 71.155 -13.846 -2.834 590 HA VAL 83 HA VAL 83 72.389 -12.357 -0.687 591 HB VAL 83 HB VAL 83 72.607 -14.789 -0.765 592 HG11 VAL 83 HG11 VAL 83 74.241 -14.401 -3.284 593 HG12 VAL 83 HG12 VAL 83 72.550 -14.900 -3.295 594 HG13 VAL 83 HG13 VAL 83 73.768 -15.927 -2.537 595 HG21 VAL 83 HG21 VAL 83 75.279 -13.475 -1.364 596 HG22 VAL 83 HG22 VAL 83 75.016 -14.952 -0.442 597 HG23 VAL 83 HG23 VAL 83 74.465 -13.406 0.199 598 H ALA 84 HN ALA 84 74.054 -10.952 -0.801 599 HA ALA 84 HA ALA 84 75.550 -10.595 -3.283 600 HB1 ALA 84 HB1 ALA 84 73.819 -9.108 -3.846 601 HB2 ALA 84 HB2 ALA 84 75.016 -8.054 -3.097 602 HB3 ALA 84 HB3 ALA 84 73.606 -8.579 -2.179 603 H SER 85 HN SER 85 77.600 -10.531 -2.622 604 HA SER 85 HA SER 85 78.266 -9.585 0.063 605 HB2 SER 85 HB2 SER 85 79.823 -11.007 -2.099 606 HB3 SER 85 HB1 SER 85 80.568 -10.419 -0.616 607 HG SER 85 HG SER 85 79.252 -12.673 -0.996 608 H ALA 86 HN ALA 86 80.698 -8.584 -0.136 609 HA ALA 86 HA ALA 86 81.345 -6.822 -2.174 610 HB1 ALA 86 HB1 ALA 86 79.254 -5.764 -0.327 611 HB2 ALA 86 HB2 ALA 86 79.541 -5.397 -2.025 612 HB3 ALA 86 HB3 ALA 86 80.544 -4.653 -0.787 613 H ARG 87 HN ARG 87 82.777 -4.946 -1.328 614 HA ARG 87 HA ARG 87 84.060 -5.629 1.231 615 HB2 ARG 87 HB2 ARG 87 85.418 -5.583 -1.462 616 HB3 ARG 87 HB1 ARG 87 86.305 -5.413 0.055 617 HG2 ARG 87 HG2 ARG 87 85.380 -7.559 0.841 618 HG3 ARG 87 HG1 ARG 87 84.486 -7.731 -0.669 619 HD2 ARG 87 HD2 ARG 87 86.586 -7.761 -1.931 620 HD3 ARG 87 HD1 ARG 87 87.502 -7.530 -0.445 621 HE ARG 87 HE ARG 87 85.770 -9.850 -0.408 622 HH11 ARG 87 HH11 ARG 87 88.863 -8.760 0.163 623 HH12 ARG 87 HH12 ARG 87 89.683 -10.186 -0.382 624 HH21 ARG 87 HH21 ARG 87 86.832 -11.629 -1.732 625 HH22 ARG 87 HH22 ARG 87 88.531 -11.810 -1.456 626 H LEU 88 HN LEU 88 84.760 -3.951 2.345 627 HA LEU 88 HA LEU 88 84.756 -1.271 1.073 628 HB2 LEU 88 HB2 LEU 88 82.871 -1.634 2.648 629 HB3 LEU 88 HB1 LEU 88 84.030 -2.002 3.922 630 HG LEU 88 HG LEU 88 85.019 0.268 3.638 631 HD11 LEU 88 HD11 LEU 88 84.574 0.995 1.464 632 HD12 LEU 88 HD12 LEU 88 83.349 1.881 2.368 633 HD13 LEU 88 HD13 LEU 88 82.909 0.414 1.496 634 HD21 LEU 88 HD21 LEU 88 83.414 0.025 5.386 635 HD22 LEU 88 HD22 LEU 88 82.069 0.000 4.245 636 HD23 LEU 88 HD23 LEU 88 82.958 1.497 4.527 637 H THR 89 HN THR 89 86.649 -0.190 1.190 638 HA THR 89 HA THR 89 88.521 -0.788 3.380 639 HB THR 89 HB THR 89 89.261 -2.259 1.610 640 HG1 THR 89 HG1 THR 89 90.896 -1.162 2.708 641 HG21 THR 89 HG21 THR 89 88.109 -1.081 -0.240 642 HG22 THR 89 HG22 THR 89 89.803 -1.392 -0.620 643 HG23 THR 89 HG23 THR 89 89.290 0.224 -0.129 644 H VAL 90 HN VAL 90 89.894 0.883 3.921 645 HA VAL 90 HA VAL 90 89.242 3.489 2.668 646 HB VAL 90 HB VAL 90 88.639 3.210 5.060 647 HG11 VAL 90 HG11 VAL 90 90.207 2.698 6.716 648 HG12 VAL 90 HG12 VAL 90 91.575 3.219 5.734 649 HG13 VAL 90 HG13 VAL 90 90.774 1.685 5.391 650 HG21 VAL 90 HG21 VAL 90 89.576 5.319 5.778 651 HG22 VAL 90 HG22 VAL 90 89.329 5.422 4.035 652 HG23 VAL 90 HG23 VAL 90 90.946 5.143 4.682 653 H LEU 91 HN LEU 91 90.786 4.515 1.576 654 HA LEU 91 HA LEU 91 93.573 3.556 1.794 655 HB2 LEU 91 HB2 LEU 91 92.015 4.980 -0.351 656 HB3 LEU 91 HB1 LEU 91 93.773 5.047 -0.348 657 HG LEU 91 HG LEU 91 92.719 3.191 -1.751 658 HD11 LEU 91 HD11 LEU 91 94.483 1.998 0.386 659 HD12 LEU 91 HD12 LEU 91 95.114 3.222 -0.714 660 HD13 LEU 91 HD13 LEU 91 94.484 1.708 -1.351 661 HD21 LEU 91 HD21 LEU 91 92.296 1.817 0.908 662 HD22 LEU 91 HD22 LEU 91 91.768 1.293 -0.691 663 HD23 LEU 91 HD23 LEU 91 90.999 2.678 0.081 664 H GLY 92 HN GLY 92 95.070 4.738 2.725 665 HA2 GLY 92 HA2 GLY 92 94.821 7.660 2.889 666 HA3 GLY 92 HA1 GLY 92 94.951 6.764 4.400 667 H LEU 93 HN LEU 93 96.731 4.727 3.285 668 HA LEU 93 HA LEU 93 99.222 6.291 3.096 669 HB2 LEU 93 HB2 LEU 93 98.491 3.725 4.459 670 HB3 LEU 93 HB1 LEU 93 100.129 3.881 3.836 671 HG LEU 93 HG LEU 93 100.325 6.057 5.106 672 HD11 LEU 93 HD11 LEU 93 98.085 6.739 5.461 673 HD12 LEU 93 HD12 LEU 93 98.625 6.200 7.050 674 HD13 LEU 93 HD13 LEU 93 97.605 5.153 6.065 675 HD21 LEU 93 HD21 LEU 93 100.671 4.958 7.272 676 HD22 LEU 93 HD22 LEU 93 101.216 3.906 5.965 677 HD23 LEU 93 HD23 LEU 93 99.670 3.599 6.757 678 HA PRO 94 HA PRO 94 99.188 4.580 -1.062 679 HB2 PRO 94 HB2 PRO 94 102.048 4.934 -1.384 680 HB3 PRO 94 HB1 PRO 94 100.733 5.869 -2.109 681 HG2 PRO 94 HG2 PRO 94 102.502 6.671 -0.025 682 HG3 PRO 94 HG1 PRO 94 101.146 7.577 -0.705 683 HD2 PRO 94 HD2 PRO 94 101.315 6.304 1.894 684 HD3 PRO 94 HD1 PRO 94 99.986 7.274 1.224 685 H ASP 95 HN ASP 95 99.632 2.606 -2.001 686 HA ASP 95 HA ASP 95 100.531 0.497 -0.286 687 HB2 ASP 95 HB2 ASP 95 99.725 0.643 -3.193 688 HB3 ASP 95 HB1 ASP 95 100.354 -0.846 -2.490 689 H GLY 96 HN GLY 96 102.444 -0.615 -0.275 690 HA2 GLY 96 HA2 GLY 96 104.434 -0.950 -2.020 691 HA3 GLY 96 HA1 GLY 96 104.727 0.714 -1.529 692 H LEU 97 HN LEU 97 103.889 0.413 1.207 693 HA LEU 97 HA LEU 97 106.324 -0.469 2.361 694 HB2 LEU 97 HB2 LEU 97 103.627 0.110 3.609 695 HB3 LEU 97 HB1 LEU 97 105.097 -0.194 4.532 696 HG LEU 97 HG LEU 97 104.844 2.003 2.452 697 HD11 LEU 97 HD11 LEU 97 104.448 2.065 5.456 698 HD12 LEU 97 HD12 LEU 97 103.290 2.529 4.210 699 HD13 LEU 97 HD13 LEU 97 104.727 3.511 4.484 700 HD21 LEU 97 HD21 LEU 97 106.963 1.173 4.439 701 HD22 LEU 97 HD22 LEU 97 106.826 2.866 3.969 702 HD23 LEU 97 HD23 LEU 97 107.146 1.641 2.749 703 H GLU 98 HN GLU 98 103.270 -1.739 3.591 704 HA GLU 98 HA GLU 98 104.462 -4.402 3.799 705 HB2 GLU 98 HB2 GLU 98 101.766 -3.351 4.711 706 HB3 GLU 98 HB1 GLU 98 102.421 -4.946 5.077 707 HG2 GLU 98 HG2 GLU 98 103.793 -2.354 5.828 708 HG3 GLU 98 HG1 GLU 98 102.745 -3.257 6.916 709 H HIS 99 HN HIS 99 103.391 -6.303 2.970 710 HA HIS 99 HA HIS 99 102.064 -5.803 0.392 711 HB2 HIS 99 HB2 HIS 99 103.253 -8.311 1.601 712 HB3 HIS 99 HB1 HIS 99 102.471 -8.236 0.019 713 HD1 HIS 99 HD1 HIS 99 103.623 -6.667 -1.792 714 HD2 HIS 99 HD2 HIS 99 105.877 -7.337 1.648 715 HE1 HIS 99 HE1 HIS 99 105.984 -5.934 -2.333 716 H HIS 100 HN HIS 100 99.926 -5.743 0.368 717 HA HIS 100 HA HIS 100 98.369 -7.861 1.588 718 HB2 HIS 100 HB2 HIS 100 98.632 -6.259 3.460 719 HB3 HIS 100 HB1 HIS 100 97.928 -4.995 2.452 720 HD1 HIS 100 HD1 HIS 100 97.016 -8.438 3.797 721 HD2 HIS 100 HD2 HIS 100 95.159 -4.930 2.527 722 HE1 HIS 100 HE1 HIS 100 94.543 -8.739 4.242 723 H HIS 101 HN HIS 101 98.830 -5.237 -0.547 724 HA HIS 101 HA HIS 101 96.084 -5.223 -1.548 725 HB2 HIS 101 HB2 HIS 101 97.388 -3.121 -1.402 726 HB3 HIS 101 HB1 HIS 101 98.551 -3.780 -2.552 727 HD1 HIS 101 HD1 HIS 101 94.833 -2.994 -2.338 728 HD2 HIS 101 HD2 HIS 101 97.837 -3.388 -5.201 729 HE1 HIS 101 HE1 HIS 101 93.806 -2.314 -4.549 730 H HIS 102 HN HIS 102 95.498 -6.884 -2.809 731 HA HIS 102 HA HIS 102 97.432 -8.340 -4.409 732 HB2 HIS 102 HB2 HIS 102 95.419 -9.333 -3.153 733 HB3 HIS 102 HB1 HIS 102 94.435 -8.687 -4.464 734 HD1 HIS 102 HD1 HIS 102 93.852 -10.760 -5.769 735 HD2 HIS 102 HD2 HIS 102 97.931 -10.542 -4.931 736 HE1 HIS 102 HE1 HIS 102 94.946 -12.668 -7.023 737 H HIS 103 HN HIS 103 94.381 -6.628 -5.131 738 HA HIS 103 HA HIS 103 95.528 -5.512 -7.569 739 HB2 HIS 103 HB2 HIS 103 93.241 -7.488 -7.590 740 HB3 HIS 103 HB1 HIS 103 93.561 -6.373 -8.919 741 HD1 HIS 103 HD1 HIS 103 95.042 -9.338 -7.120 742 HD2 HIS 103 HD2 HIS 103 95.796 -7.035 -10.514 743 HE1 HIS 103 HE1 HIS 103 96.813 -10.571 -8.446 744 H HIS 104 HN HIS 104 93.792 -4.170 -8.723 745 HA HIS 104 HA HIS 104 92.893 -2.122 -7.119 746 HB2 HIS 104 HB2 HIS 104 91.635 -3.117 -9.691 747 HB3 HIS 104 HB1 HIS 104 91.344 -1.539 -8.960 748 HD1 HIS 104 HD1 HIS 104 93.734 -0.159 -8.482 749 HD2 HIS 104 HD2 HIS 104 93.720 -3.042 -11.492 750 HE1 HIS 104 HE1 HIS 104 95.719 0.350 -9.970 Start of MODEL 13 1 H1 TRP 1 HT1 TRP 1 62.667 -15.542 -13.747 2 H2 TRP 1 HT2 TRP 1 61.526 -16.158 -12.649 3 H3 TRP 1 HT3 TRP 1 62.802 -15.180 -12.096 4 HA TRP 1 HA TRP 1 61.910 -13.328 -13.447 5 HB2 TRP 1 HB2 TRP 1 59.646 -15.320 -13.776 6 HB3 TRP 1 HB1 TRP 1 59.517 -13.605 -14.162 7 HD1 TRP 1 HD1 TRP 1 61.888 -12.844 -15.748 8 HE1 TRP 1 HE1 TRP 1 62.581 -13.979 -17.958 9 HE3 TRP 1 HE3 TRP 1 59.446 -17.302 -15.257 10 HZ2 TRP 1 HZ2 TRP 1 62.155 -16.447 -19.336 11 HZ3 TRP 1 HZ3 TRP 1 59.603 -19.022 -17.033 12 HH2 TRP 1 HH2 TRP 1 60.954 -18.602 -19.070 13 H ARG 2 HN ARG 2 61.220 -15.455 -10.896 14 HA ARG 2 HA ARG 2 59.163 -14.127 -9.515 15 HB2 ARG 2 HB2 ARG 2 61.491 -15.747 -8.452 16 HB3 ARG 2 HB1 ARG 2 60.091 -15.257 -7.498 17 HG2 ARG 2 HG2 ARG 2 58.603 -16.454 -9.063 18 HG3 ARG 2 HG1 ARG 2 60.005 -16.963 -10.003 19 HD2 ARG 2 HD2 ARG 2 59.589 -17.608 -7.073 20 HD3 ARG 2 HD1 ARG 2 59.215 -18.710 -8.394 21 HE ARG 2 HE ARG 2 61.823 -18.139 -7.339 22 HH11 ARG 2 HH11 ARG 2 60.541 -20.573 -8.933 23 HH12 ARG 2 HH12 ARG 2 61.650 -20.649 -10.262 24 HH21 ARG 2 HH21 ARG 2 63.064 -17.554 -9.606 25 HH22 ARG 2 HH22 ARG 2 63.078 -18.943 -10.640 26 H LEU 3 HN LEU 3 61.765 -14.130 -7.386 27 HA LEU 3 HA LEU 3 61.743 -11.200 -7.250 28 HB2 LEU 3 HB2 LEU 3 62.780 -13.400 -5.461 29 HB3 LEU 3 HB1 LEU 3 63.250 -11.720 -5.205 30 HG LEU 3 HG LEU 3 60.890 -11.072 -4.995 31 HD11 LEU 3 HD11 LEU 3 60.443 -14.002 -5.579 32 HD12 LEU 3 HD12 LEU 3 59.755 -12.613 -6.420 33 HD13 LEU 3 HD13 LEU 3 59.221 -13.011 -4.787 34 HD21 LEU 3 HD21 LEU 3 60.441 -12.209 -2.866 35 HD22 LEU 3 HD22 LEU 3 62.158 -11.839 -3.009 36 HD23 LEU 3 HD23 LEU 3 61.588 -13.482 -3.290 37 H GLU 4 HN GLU 4 62.858 -11.117 -9.370 38 HA GLU 4 HA GLU 4 65.586 -11.994 -9.565 39 HB2 GLU 4 HB2 GLU 4 65.560 -10.694 -11.698 40 HB3 GLU 4 HB1 GLU 4 64.264 -11.885 -11.576 41 HG2 GLU 4 HG2 GLU 4 62.710 -10.095 -10.835 42 HG3 GLU 4 HG1 GLU 4 64.008 -8.918 -11.009 43 H ILE 5 HN ILE 5 67.443 -10.893 -9.257 44 HA ILE 5 HA ILE 5 67.289 -8.223 -8.021 45 HB ILE 5 HB ILE 5 69.668 -10.068 -8.426 46 HG12 ILE 5 HG12 ILE 5 68.107 -9.482 -5.888 47 HG13 ILE 5 HG11 ILE 5 67.872 -10.930 -6.865 48 HG21 ILE 5 HG21 ILE 5 70.673 -8.554 -6.679 49 HG22 ILE 5 HG22 ILE 5 69.287 -7.488 -6.891 50 HG23 ILE 5 HG23 ILE 5 70.391 -7.777 -8.236 51 HD11 ILE 5 HD11 ILE 5 70.121 -10.209 -5.055 52 HD12 ILE 5 HD12 ILE 5 70.576 -11.035 -6.544 53 HD13 ILE 5 HD13 ILE 5 69.444 -11.790 -5.430 54 H LEU 6 HN LEU 6 67.464 -6.491 -9.377 55 HA LEU 6 HA LEU 6 68.287 -6.904 -12.112 56 HB2 LEU 6 HB2 LEU 6 67.296 -4.529 -10.546 57 HB3 LEU 6 HB1 LEU 6 67.766 -4.420 -12.244 58 HG LEU 6 HG LEU 6 66.132 -6.219 -12.784 59 HD11 LEU 6 HD11 LEU 6 64.364 -6.541 -10.858 60 HD12 LEU 6 HD12 LEU 6 65.698 -6.078 -9.802 61 HD13 LEU 6 HD13 LEU 6 65.843 -7.496 -10.839 62 HD21 LEU 6 HD21 LEU 6 64.157 -4.814 -12.578 63 HD22 LEU 6 HD22 LEU 6 65.552 -3.778 -12.880 64 HD23 LEU 6 HD23 LEU 6 64.891 -3.914 -11.250 65 H GLU 7 HN GLU 7 69.278 -4.302 -9.867 66 HA GLU 7 HA GLU 7 72.093 -4.723 -10.668 67 HB2 GLU 7 HB2 GLU 7 70.520 -2.158 -10.977 68 HB3 GLU 7 HB1 GLU 7 72.282 -2.222 -11.000 69 HG2 GLU 7 HG2 GLU 7 72.250 -3.710 -12.924 70 HG3 GLU 7 HG1 GLU 7 70.491 -3.814 -12.861 71 H LEU 8 HN LEU 8 73.533 -4.340 -9.096 72 HA LEU 8 HA LEU 8 72.657 -2.899 -6.668 73 HB2 LEU 8 HB2 LEU 8 74.493 -4.977 -5.890 74 HB3 LEU 8 HB1 LEU 8 72.820 -4.769 -5.390 75 HG LEU 8 HG LEU 8 72.103 -5.952 -7.482 76 HD11 LEU 8 HD11 LEU 8 74.443 -7.402 -8.148 77 HD12 LEU 8 HD12 LEU 8 74.956 -5.718 -8.085 78 HD13 LEU 8 HD13 LEU 8 73.626 -6.197 -9.138 79 HD21 LEU 8 HD21 LEU 8 72.975 -8.221 -6.662 80 HD22 LEU 8 HD22 LEU 8 72.150 -7.226 -5.462 81 HD23 LEU 8 HD23 LEU 8 73.909 -7.316 -5.474 82 H LEU 9 HN LEU 9 74.238 -1.671 -5.661 83 HA LEU 9 HA LEU 9 76.653 -1.194 -7.273 84 HB2 LEU 9 HB2 LEU 9 75.436 0.302 -4.940 85 HB3 LEU 9 HB1 LEU 9 76.976 0.735 -5.677 86 HG LEU 9 HG LEU 9 74.329 0.583 -7.161 87 HD11 LEU 9 HD11 LEU 9 74.463 3.055 -7.177 88 HD12 LEU 9 HD12 LEU 9 75.912 2.978 -6.175 89 HD13 LEU 9 HD13 LEU 9 74.368 2.430 -5.533 90 HD21 LEU 9 HD21 LEU 9 75.877 2.071 -8.763 91 HD22 LEU 9 HD22 LEU 9 75.905 0.314 -8.854 92 HD23 LEU 9 HD23 LEU 9 77.169 1.168 -7.969 93 H LYS 10 HN LYS 10 78.412 -2.263 -6.814 94 HA LYS 10 HA LYS 10 79.012 -2.988 -4.005 95 HB2 LYS 10 HB2 LYS 10 80.018 -4.844 -6.122 96 HB3 LYS 10 HB1 LYS 10 79.463 -5.193 -4.493 97 HG2 LYS 10 HG2 LYS 10 77.257 -4.295 -6.265 98 HG3 LYS 10 HG1 LYS 10 78.057 -5.732 -6.859 99 HD2 LYS 10 HD2 LYS 10 76.253 -6.427 -5.437 100 HD3 LYS 10 HD1 LYS 10 77.755 -6.752 -4.582 101 HE2 LYS 10 HE2 LYS 10 77.504 -4.644 -3.326 102 HE3 LYS 10 HE1 LYS 10 76.010 -4.304 -4.193 103 HZ1 LYS 10 HZ1 LYS 10 75.613 -6.806 -3.261 104 HZ2 LYS 10 HZ2 LYS 10 75.037 -5.386 -2.526 105 HZ3 LYS 10 HZ3 LYS 10 76.487 -6.094 -1.994 106 H ASN 11 HN ASN 11 81.402 -3.831 -3.979 107 HA ASN 11 HA ASN 11 83.604 -3.160 -4.011 108 HB2 ASN 11 HB2 ASN 11 82.929 -2.655 -6.916 109 HB3 ASN 11 HB1 ASN 11 84.557 -2.790 -6.252 110 HD21 ASN 11 HD21 ASN 11 83.717 -4.951 -4.335 111 HD22 ASN 11 HD22 ASN 11 83.538 -6.346 -5.284 112 H ALA 12 HN ALA 12 84.030 -1.401 -2.861 113 HA ALA 12 HA ALA 12 84.137 1.165 -4.186 114 HB1 ALA 12 HB1 ALA 12 81.778 1.139 -3.567 115 HB2 ALA 12 HB2 ALA 12 82.650 2.339 -2.613 116 HB3 ALA 12 HB3 ALA 12 82.204 0.794 -1.890 117 H ALA 13 HN ALA 13 85.603 2.466 -3.366 118 HA ALA 13 HA ALA 13 86.838 1.799 -0.747 119 HB1 ALA 13 HB1 ALA 13 88.295 1.292 -2.724 120 HB2 ALA 13 HB2 ALA 13 88.964 2.539 -1.669 121 HB3 ALA 13 HB3 ALA 13 88.189 2.991 -3.188 122 H VAL 14 HN VAL 14 86.663 3.419 0.715 123 HA VAL 14 HA VAL 14 85.952 6.113 -0.292 124 HB VAL 14 HB VAL 14 85.582 5.135 2.535 125 HG11 VAL 14 HG11 VAL 14 85.285 7.501 2.294 126 HG12 VAL 14 HG12 VAL 14 83.673 6.799 2.379 127 HG13 VAL 14 HG13 VAL 14 84.330 7.304 0.825 128 HG21 VAL 14 HG21 VAL 14 84.417 3.492 1.262 129 HG22 VAL 14 HG22 VAL 14 83.844 4.689 0.101 130 HG23 VAL 14 HG23 VAL 14 83.188 4.663 1.739 131 H ARG 15 HN ARG 15 87.762 7.213 -0.532 132 HA ARG 15 HA ARG 15 90.100 7.014 1.040 133 HB2 ARG 15 HB2 ARG 15 89.001 9.263 -0.664 134 HB3 ARG 15 HB1 ARG 15 90.580 9.334 0.111 135 HG2 ARG 15 HG2 ARG 15 90.381 6.801 -1.284 136 HG3 ARG 15 HG1 ARG 15 89.887 8.073 -2.393 137 HD2 ARG 15 HD2 ARG 15 92.453 8.129 -0.777 138 HD3 ARG 15 HD1 ARG 15 92.345 7.607 -2.457 139 HE ARG 15 HE ARG 15 91.184 10.109 -2.405 140 HH11 ARG 15 HH11 ARG 15 93.770 9.393 -3.862 141 HH12 ARG 15 HH12 ARG 15 94.879 10.530 -3.171 142 HH21 ARG 15 HH21 ARG 15 92.821 11.304 -0.490 143 HH22 ARG 15 HH22 ARG 15 94.339 11.615 -1.262 144 H ALA 16 HN ALA 16 90.750 8.102 2.897 145 HA ALA 16 HA ALA 16 89.003 8.758 4.875 146 HB1 ALA 16 HB1 ALA 16 91.578 10.277 4.411 147 HB2 ALA 16 HB2 ALA 16 91.505 8.648 5.087 148 HB3 ALA 16 HB3 ALA 16 90.767 9.996 5.953 149 H GLY 17 HN GLY 17 87.309 10.125 4.891 150 HA2 GLY 17 HA2 GLY 17 86.277 12.220 4.904 151 HA3 GLY 17 HA1 GLY 17 87.711 12.915 4.160 152 H ALA 18 HN ALA 18 85.749 10.151 3.055 153 HA ALA 18 HA ALA 18 84.913 11.743 0.696 154 HB1 ALA 18 HB1 ALA 18 86.100 8.963 0.692 155 HB2 ALA 18 HB2 ALA 18 86.702 10.394 -0.140 156 HB3 ALA 18 HB3 ALA 18 85.199 9.634 -0.663 157 H GLN 19 HN GLN 19 83.013 11.010 -0.325 158 HA GLN 19 HA GLN 19 81.145 9.656 1.531 159 HB2 GLN 19 HB2 GLN 19 80.767 11.580 -0.766 160 HB3 GLN 19 HB1 GLN 19 79.423 10.624 -0.139 161 HG2 GLN 19 HG2 GLN 19 79.408 12.753 0.998 162 HG3 GLN 19 HG1 GLN 19 79.948 11.539 2.154 163 HE21 GLN 19 HE21 GLN 19 81.316 12.893 3.440 164 HE22 GLN 19 HE22 GLN 19 82.697 13.660 2.818 165 H ALA 20 HN ALA 20 79.697 8.057 0.734 166 HA ALA 20 HA ALA 20 80.361 6.827 -1.865 167 HB1 ALA 20 HB1 ALA 20 80.484 5.466 0.830 168 HB2 ALA 20 HB2 ALA 20 81.738 5.547 -0.407 169 HB3 ALA 20 HB3 ALA 20 80.296 4.572 -0.678 170 H CYS 21 HN CYS 21 78.663 5.775 -2.826 171 HA CYS 21 HA CYS 21 76.060 5.852 -1.400 172 HB2 CYS 21 HB2 CYS 21 74.976 6.490 -3.419 173 HB3 CYS 21 HB1 CYS 21 76.366 7.563 -3.250 174 HG CYS 21 HG CYS 21 77.637 5.895 -4.951 175 H PHE 22 HN PHE 22 74.865 4.098 -1.420 176 HA PHE 22 HA PHE 22 75.600 1.789 -3.148 177 HB2 PHE 22 HB2 PHE 22 74.915 1.748 -0.192 178 HB3 PHE 22 HB1 PHE 22 75.123 0.319 -1.195 179 HD1 PHE 22 HD1 PHE 22 77.395 0.178 -2.514 180 HD2 PHE 22 HD2 PHE 22 76.756 2.637 0.952 181 HE1 PHE 22 HE1 PHE 22 79.839 0.250 -2.111 182 HE2 PHE 22 HE2 PHE 22 79.202 2.709 1.352 183 HZ PHE 22 HZ PHE 22 80.744 1.516 -0.181 184 H THR 23 HN THR 23 73.846 1.198 -4.323 185 HA THR 23 HA THR 23 71.143 1.463 -3.132 186 HB THR 23 HB THR 23 70.289 2.309 -5.286 187 HG1 THR 23 HG1 THR 23 72.402 3.197 -6.466 188 HG21 THR 23 HG21 THR 23 71.356 4.578 -5.167 189 HG22 THR 23 HG22 THR 23 72.541 3.911 -4.046 190 HG23 THR 23 HG23 THR 23 70.836 3.957 -3.600 191 H CYS 24 HN CYS 24 69.810 -0.279 -3.534 192 HA CYS 24 HA CYS 24 70.762 -2.265 -5.529 193 HB2 CYS 24 HB2 CYS 24 69.397 -3.023 -2.962 194 HB3 CYS 24 HB1 CYS 24 70.338 -4.039 -4.051 195 HG CYS 24 HG CYS 24 71.558 -2.856 -1.738 196 H THR 25 HN THR 25 69.313 -1.634 -7.097 197 HA THR 25 HA THR 25 66.494 -1.402 -6.573 198 HB THR 25 HB THR 25 67.927 -1.788 -9.214 199 HG1 THR 25 HG1 THR 25 68.518 0.079 -7.928 200 HG21 THR 25 HG21 THR 25 65.657 -2.228 -9.629 201 HG22 THR 25 HG22 THR 25 65.795 -0.502 -9.968 202 HG23 THR 25 HG23 THR 25 65.111 -1.049 -8.438 203 H LEU 26 HN LEU 26 65.366 -3.140 -5.952 204 HA LEU 26 HA LEU 26 65.990 -5.780 -7.135 205 HB2 LEU 26 HB2 LEU 26 64.314 -5.090 -4.702 206 HB3 LEU 26 HB1 LEU 26 64.693 -6.714 -5.269 207 HG LEU 26 HG LEU 26 66.702 -4.649 -4.318 208 HD11 LEU 26 HD11 LEU 26 65.487 -5.539 -2.445 209 HD12 LEU 26 HD12 LEU 26 67.032 -6.385 -2.492 210 HD13 LEU 26 HD13 LEU 26 65.574 -7.179 -3.087 211 HD21 LEU 26 HD21 LEU 26 67.927 -5.907 -5.859 212 HD22 LEU 26 HD22 LEU 26 66.969 -7.367 -5.597 213 HD23 LEU 26 HD23 LEU 26 68.160 -6.862 -4.397 214 H SER 27 HN SER 27 63.643 -7.054 -6.703 215 HA SER 27 HA SER 27 61.804 -5.731 -8.618 216 HB2 SER 27 HB2 SER 27 62.639 -7.829 -9.483 217 HB3 SER 27 HB1 SER 27 62.250 -8.659 -7.981 218 HG SER 27 HG SER 27 60.529 -7.597 -9.949 219 H GLU 28 HN GLU 28 62.268 -6.634 -5.402 220 HA GLU 28 HA GLU 28 59.428 -6.150 -4.795 221 HB2 GLU 28 HB2 GLU 28 59.343 -8.019 -3.255 222 HB3 GLU 28 HB1 GLU 28 59.792 -8.609 -4.854 223 HG2 GLU 28 HG2 GLU 28 61.768 -8.023 -2.620 224 HG3 GLU 28 HG1 GLU 28 61.174 -9.623 -3.049 225 H ALA 29 HN ALA 29 59.046 -5.249 -2.766 226 HA ALA 29 HA ALA 29 61.348 -3.865 -1.586 227 HB1 ALA 29 HB1 ALA 29 58.431 -3.566 -0.860 228 HB2 ALA 29 HB2 ALA 29 59.177 -2.695 -2.199 229 HB3 ALA 29 HB3 ALA 29 59.744 -2.433 -0.550 230 H VAL 30 HN VAL 30 61.940 -4.034 0.611 231 HA VAL 30 HA VAL 30 61.002 -6.487 1.936 232 HB VAL 30 HB VAL 30 63.410 -4.749 2.470 233 HG11 VAL 30 HG11 VAL 30 62.755 -5.876 4.495 234 HG12 VAL 30 HG12 VAL 30 64.096 -6.792 3.805 235 HG13 VAL 30 HG13 VAL 30 62.445 -7.377 3.622 236 HG21 VAL 30 HG21 VAL 30 63.690 -5.856 0.359 237 HG22 VAL 30 HG22 VAL 30 63.004 -7.355 0.983 238 HG23 VAL 30 HG23 VAL 30 64.586 -6.812 1.540 239 HA PRO 31 HA PRO 31 58.765 -3.694 4.723 240 HB2 PRO 31 HB2 PRO 31 58.425 -5.794 6.702 241 HB3 PRO 31 HB1 PRO 31 57.211 -5.111 5.618 242 HG2 PRO 31 HG2 PRO 31 58.434 -7.673 5.478 243 HG3 PRO 31 HG1 PRO 31 57.285 -6.958 4.340 244 HD2 PRO 31 HD2 PRO 31 60.138 -7.400 3.977 245 HD3 PRO 31 HD1 PRO 31 58.946 -6.806 2.801 246 H VAL 32 HN VAL 32 59.115 -4.570 7.655 247 HA VAL 32 HA VAL 32 61.890 -3.553 7.981 248 HB VAL 32 HB VAL 32 59.392 -3.010 9.609 249 HG11 VAL 32 HG11 VAL 32 62.311 -2.443 10.185 250 HG12 VAL 32 HG12 VAL 32 61.154 -3.301 11.203 251 HG13 VAL 32 HG13 VAL 32 60.998 -1.561 10.966 252 HG21 VAL 32 HG21 VAL 32 59.673 -1.635 7.581 253 HG22 VAL 32 HG22 VAL 32 61.302 -1.199 8.095 254 HG23 VAL 32 HG23 VAL 32 59.908 -0.662 9.032 255 H GLY 33 HN GLY 33 63.170 -4.890 8.917 256 HA2 GLY 33 HA2 GLY 33 63.815 -6.253 10.798 257 HA3 GLY 33 HA1 GLY 33 62.167 -6.864 10.885 258 H GLU 34 HN GLU 34 62.215 -7.108 7.810 259 HA GLU 34 HA GLU 34 63.322 -9.809 7.806 260 HB2 GLU 34 HB2 GLU 34 61.699 -8.273 5.774 261 HB3 GLU 34 HB1 GLU 34 62.293 -9.914 5.518 262 HG2 GLU 34 HG2 GLU 34 61.089 -10.683 7.517 263 HG3 GLU 34 HG1 GLU 34 60.521 -9.042 7.820 264 H ALA 35 HN ALA 35 64.403 -6.708 6.999 265 HA ALA 35 HA ALA 35 66.099 -7.476 4.782 266 HB1 ALA 35 HB1 ALA 35 67.163 -5.178 5.308 267 HB2 ALA 35 HB2 ALA 35 65.857 -4.985 6.477 268 HB3 ALA 35 HB3 ALA 35 65.480 -5.182 4.760 269 H SER 36 HN SER 36 68.527 -7.135 4.982 270 HA SER 36 HA SER 36 69.589 -7.785 7.654 271 HB2 SER 36 HB2 SER 36 70.512 -9.454 5.327 272 HB3 SER 36 HB1 SER 36 70.637 -9.782 7.051 273 HG SER 36 HG SER 36 68.894 -10.827 5.618 274 H TRP 37 HN TRP 37 69.844 -5.387 6.633 275 HA TRP 37 HA TRP 37 72.305 -5.182 5.069 276 HB2 TRP 37 HB2 TRP 37 71.208 -3.341 4.302 277 HB3 TRP 37 HB1 TRP 37 69.951 -3.554 5.506 278 HD1 TRP 37 HD1 TRP 37 70.023 -2.094 7.649 279 HE1 TRP 37 HE1 TRP 37 71.408 -0.012 8.314 280 HE3 TRP 37 HE3 TRP 37 73.632 -2.254 4.054 281 HZ2 TRP 37 HZ2 TRP 37 73.720 1.408 7.403 282 HZ3 TRP 37 HZ3 TRP 37 75.401 -0.516 3.940 283 HH2 TRP 37 HH2 TRP 37 75.457 1.307 5.628 284 H TYR 38 HN TYR 38 74.164 -5.419 6.168 285 HA TYR 38 HA TYR 38 74.699 -3.646 8.394 286 HB2 TYR 38 HB2 TYR 38 75.332 -5.375 9.945 287 HB3 TYR 38 HB1 TYR 38 73.646 -5.594 9.500 288 HD1 TYR 38 HD2 TYR 38 73.050 -7.348 7.763 289 HD2 TYR 38 HD1 TYR 38 76.963 -7.017 9.498 290 HE1 TYR 38 HE2 TYR 38 73.580 -9.652 7.010 291 HE2 TYR 38 HE1 TYR 38 77.492 -9.312 8.754 292 HH TYR 38 HH TYR 38 75.444 -11.530 8.017 293 H ILE 39 HN ILE 39 76.945 -3.462 8.845 294 HA ILE 39 HA ILE 39 78.594 -4.054 6.569 295 HB ILE 39 HB ILE 39 79.742 -3.211 9.223 296 HG12 ILE 39 HG12 ILE 39 77.842 -1.761 9.102 297 HG13 ILE 39 HG11 ILE 39 79.213 -0.826 8.520 298 HG21 ILE 39 HG21 ILE 39 81.103 -1.750 7.675 299 HG22 ILE 39 HG22 ILE 39 80.358 -2.610 6.330 300 HG23 ILE 39 HG23 ILE 39 81.355 -3.485 7.497 301 HD11 ILE 39 HD11 ILE 39 76.960 -2.036 6.947 302 HD12 ILE 39 HD12 ILE 39 78.499 -1.682 6.169 303 HD13 ILE 39 HD13 ILE 39 77.568 -0.389 6.919 304 H ASN 40 HN ASN 40 79.417 -5.940 6.191 305 HA ASN 40 HA ASN 40 79.427 -8.094 8.026 306 HB2 ASN 40 HB2 ASN 40 79.477 -8.477 5.626 307 HB3 ASN 40 HB1 ASN 40 81.063 -7.748 5.514 308 HD21 ASN 40 HD21 ASN 40 80.646 -10.457 4.705 309 HD22 ASN 40 HD22 ASN 40 81.459 -11.476 5.792 310 H GLY 41 HN GLY 41 80.357 -7.563 9.899 311 HA2 GLY 41 HA2 GLY 41 82.655 -8.107 10.894 312 HA3 GLY 41 HA1 GLY 41 83.190 -6.716 9.946 313 H ALA 42 HN ALA 42 80.479 -5.452 10.358 314 HA ALA 42 HA ALA 42 80.544 -4.812 13.229 315 HB1 ALA 42 HB1 ALA 42 80.969 -2.550 12.970 316 HB2 ALA 42 HB2 ALA 42 80.342 -2.502 11.323 317 HB3 ALA 42 HB3 ALA 42 81.937 -3.181 11.638 318 H ALA 43 HN ALA 43 78.518 -5.451 13.755 319 HA ALA 43 HA ALA 43 76.293 -5.386 12.017 320 HB1 ALA 43 HB1 ALA 43 76.178 -5.268 15.038 321 HB2 ALA 43 HB2 ALA 43 76.515 -6.750 14.146 322 HB3 ALA 43 HB3 ALA 43 74.966 -5.930 13.941 323 H VAL 44 HN VAL 44 74.756 -3.775 11.620 324 HA VAL 44 HA VAL 44 75.464 -1.092 12.494 325 HB VAL 44 HB VAL 44 73.518 -0.378 11.093 326 HG11 VAL 44 HG11 VAL 44 75.652 -0.351 10.054 327 HG12 VAL 44 HG12 VAL 44 74.588 -1.175 8.914 328 HG13 VAL 44 HG13 VAL 44 75.694 -2.109 9.923 329 HG21 VAL 44 HG21 VAL 44 72.564 -2.091 9.554 330 HG22 VAL 44 HG22 VAL 44 72.111 -2.358 11.234 331 HG23 VAL 44 HG23 VAL 44 73.368 -3.348 10.492 332 H GLN 45 HN GLN 45 74.673 -0.113 14.245 333 HA GLN 45 HA GLN 45 72.544 -1.376 15.774 334 HB2 GLN 45 HB2 GLN 45 73.072 0.776 17.259 335 HB3 GLN 45 HB1 GLN 45 74.172 -0.600 17.243 336 HG2 GLN 45 HG2 GLN 45 75.652 0.475 15.718 337 HG3 GLN 45 HG1 GLN 45 74.468 1.724 15.340 338 HE21 GLN 45 HE21 GLN 45 76.531 0.499 18.005 339 HE22 GLN 45 HE22 GLN 45 76.609 1.981 18.830 340 HA PRO 46 HA PRO 46 69.150 1.018 14.334 341 HB2 PRO 46 HB2 PRO 46 68.244 1.999 16.905 342 HB3 PRO 46 HB1 PRO 46 67.575 0.668 15.951 343 HG2 PRO 46 HG2 PRO 46 69.278 0.559 18.314 344 HG3 PRO 46 HG1 PRO 46 68.365 -0.739 17.534 345 HD2 PRO 46 HD2 PRO 46 71.151 -0.491 17.497 346 HD3 PRO 46 HD1 PRO 46 70.203 -1.479 16.370 347 H ASP 47 HN ASP 47 71.280 2.504 16.739 348 HA ASP 47 HA ASP 47 70.603 5.206 15.863 349 HB2 ASP 47 HB2 ASP 47 72.519 4.135 17.940 350 HB3 ASP 47 HB1 ASP 47 72.360 5.848 17.556 351 H ASP 48 HN ASP 48 72.142 2.994 14.269 352 HA ASP 48 HA ASP 48 74.724 3.380 13.726 353 HB2 ASP 48 HB2 ASP 48 74.243 3.079 11.325 354 HB3 ASP 48 HB1 ASP 48 73.319 1.972 12.328 355 H SER 49 HN SER 49 75.414 5.418 14.414 356 HA SER 49 HA SER 49 74.542 7.870 13.266 357 HB2 SER 49 HB2 SER 49 75.606 7.969 15.393 358 HB3 SER 49 HB1 SER 49 77.010 7.082 14.812 359 HG SER 49 HG SER 49 77.245 9.424 14.957 360 H ASP 50 HN ASP 50 77.211 5.665 12.549 361 HA ASP 50 HA ASP 50 78.238 7.389 10.435 362 HB2 ASP 50 HB2 ASP 50 79.105 4.719 11.529 363 HB3 ASP 50 HB1 ASP 50 79.893 5.495 10.157 364 H TRP 51 HN TRP 51 76.233 4.503 10.659 365 HA TRP 51 HA TRP 51 76.246 4.301 7.686 366 HB2 TRP 51 HB2 TRP 51 75.278 2.092 9.489 367 HB3 TRP 51 HB1 TRP 51 75.907 2.000 7.847 368 HD1 TRP 51 HD1 TRP 51 77.016 2.320 11.473 369 HE1 TRP 51 HE1 TRP 51 79.524 1.749 11.628 370 HE3 TRP 51 HE3 TRP 51 78.146 1.978 6.507 371 HZ2 TRP 51 HZ2 TRP 51 81.717 1.210 9.875 372 HZ3 TRP 51 HZ3 TRP 51 80.448 1.432 5.779 373 HH2 TRP 51 HH2 TRP 51 82.234 1.047 7.453 374 H THR 52 HN THR 52 74.218 3.971 6.612 375 HA THR 52 HA THR 52 71.780 4.264 8.232 376 HB THR 52 HB THR 52 72.395 6.125 5.930 377 HG1 THR 52 HG1 THR 52 72.144 6.754 8.673 378 HG21 THR 52 HG21 THR 52 70.035 5.694 6.107 379 HG22 THR 52 HG22 THR 52 70.333 7.270 6.839 380 HG23 THR 52 HG23 THR 52 70.081 5.855 7.862 381 H VAL 53 HN VAL 53 69.854 3.635 7.165 382 HA VAL 53 HA VAL 53 70.122 2.423 4.502 383 HB VAL 53 HB VAL 53 70.428 0.476 5.826 384 HG11 VAL 53 HG11 VAL 53 69.947 1.250 8.030 385 HG12 VAL 53 HG12 VAL 53 68.744 -0.003 7.719 386 HG13 VAL 53 HG13 VAL 53 68.299 1.700 7.594 387 HG21 VAL 53 HG21 VAL 53 67.425 0.500 5.494 388 HG22 VAL 53 HG22 VAL 53 68.542 -0.847 5.287 389 HG23 VAL 53 HG23 VAL 53 68.503 0.455 4.101 390 H THR 54 HN THR 54 68.349 2.585 3.261 391 HA THR 54 HA THR 54 65.814 3.497 4.454 392 HB THR 54 HB THR 54 65.623 5.393 3.138 393 HG1 THR 54 HG1 THR 54 66.283 5.404 1.156 394 HG21 THR 54 HG21 THR 54 67.550 6.723 3.523 395 HG22 THR 54 HG22 THR 54 68.631 5.336 3.379 396 HG23 THR 54 HG23 THR 54 67.588 5.501 4.794 397 H ALA 55 HN ALA 55 63.984 3.120 3.048 398 HA ALA 55 HA ALA 55 64.514 1.506 0.641 399 HB1 ALA 55 HB1 ALA 55 63.126 -0.327 1.386 400 HB2 ALA 55 HB2 ALA 55 62.782 0.500 2.903 401 HB3 ALA 55 HB3 ALA 55 64.415 -0.068 2.558 402 H ASP 56 HN ASP 56 63.475 2.623 -0.829 403 HA ASP 56 HA ASP 56 60.682 3.498 -0.341 404 HB2 ASP 56 HB2 ASP 56 62.811 4.457 -2.266 405 HB3 ASP 56 HB1 ASP 56 61.112 4.904 -2.415 406 H GLY 57 HN GLY 57 59.441 1.776 -0.952 407 HA2 GLY 57 HA2 GLY 57 58.453 0.225 -2.342 408 HA3 GLY 57 HA1 GLY 57 59.183 1.098 -3.688 409 H SER 58 HN SER 58 60.124 -0.463 -4.909 410 HA SER 58 HA SER 58 61.586 -2.661 -3.646 411 HB2 SER 58 HB2 SER 58 60.914 -2.017 -6.520 412 HB3 SER 58 HB1 SER 58 61.897 -3.397 -6.038 413 HG SER 58 HG SER 58 59.597 -3.151 -4.586 414 H HIS 59 HN HIS 59 62.706 -0.068 -3.225 415 HA HIS 59 HA HIS 59 65.315 -0.423 -4.578 416 HB2 HIS 59 HB2 HIS 59 63.777 2.165 -4.284 417 HB3 HIS 59 HB1 HIS 59 65.473 2.069 -4.755 418 HD1 HIS 59 HD1 HIS 59 62.122 0.633 -5.899 419 HD2 HIS 59 HD2 HIS 59 65.804 1.788 -7.479 420 HE1 HIS 59 HE1 HIS 59 61.941 0.363 -8.411 421 H HIS 60 HN HIS 60 67.089 0.005 -3.310 422 HA HIS 60 HA HIS 60 66.569 0.796 -0.489 423 HB2 HIS 60 HB2 HIS 60 68.747 -1.008 -1.588 424 HB3 HIS 60 HB1 HIS 60 68.557 -0.538 0.100 425 HD1 HIS 60 HD1 HIS 60 65.403 -0.805 0.173 426 HD2 HIS 60 HD2 HIS 60 68.026 -3.719 -1.235 427 HE1 HIS 60 HE1 HIS 60 64.178 -3.016 0.343 428 H ALA 61 HN ALA 61 68.388 2.010 0.542 429 HA ALA 61 HA ALA 61 70.330 3.213 -1.247 430 HB1 ALA 61 HB1 ALA 61 68.024 4.540 -1.256 431 HB2 ALA 61 HB2 ALA 61 69.569 5.386 -1.272 432 HB3 ALA 61 HB3 ALA 61 68.674 5.217 0.233 433 H LEU 62 HN LEU 62 71.675 2.094 0.164 434 HA LEU 62 HA LEU 62 71.895 2.949 2.956 435 HB2 LEU 62 HB2 LEU 62 73.467 0.951 1.311 436 HB3 LEU 62 HB1 LEU 62 73.727 1.257 3.014 437 HG LEU 62 HG LEU 62 71.841 0.066 3.660 438 HD11 LEU 62 HD11 LEU 62 70.175 1.452 2.426 439 HD12 LEU 62 HD12 LEU 62 69.817 -0.263 2.308 440 HD13 LEU 62 HD13 LEU 62 70.556 0.568 0.949 441 HD21 LEU 62 HD21 LEU 62 73.408 -1.288 2.023 442 HD22 LEU 62 HD22 LEU 62 72.012 -1.256 0.954 443 HD23 LEU 62 HD23 LEU 62 71.880 -1.993 2.547 444 H LEU 63 HN LEU 63 73.737 4.175 3.713 445 HA LEU 63 HA LEU 63 75.726 4.948 1.672 446 HB2 LEU 63 HB2 LEU 63 75.592 7.355 2.485 447 HB3 LEU 63 HB1 LEU 63 74.270 6.791 1.462 448 HG LEU 63 HG LEU 63 73.022 6.252 3.665 449 HD11 LEU 63 HD11 LEU 63 74.670 6.404 5.352 450 HD12 LEU 63 HD12 LEU 63 73.813 7.933 5.500 451 HD13 LEU 63 HD13 LEU 63 75.366 7.876 4.676 452 HD21 LEU 63 HD21 LEU 63 72.519 8.166 2.124 453 HD22 LEU 63 HD22 LEU 63 73.652 9.155 3.045 454 HD23 LEU 63 HD23 LEU 63 72.189 8.542 3.816 455 H LEU 64 HN LEU 64 77.342 6.427 2.615 456 HA LEU 64 HA LEU 64 78.036 5.924 5.403 457 HB2 LEU 64 HB2 LEU 64 79.251 4.150 4.093 458 HB3 LEU 64 HB1 LEU 64 79.995 5.434 3.140 459 HG LEU 64 HG LEU 64 81.056 6.362 5.131 460 HD11 LEU 64 HD11 LEU 64 79.355 4.311 6.524 461 HD12 LEU 64 HD12 LEU 64 79.718 5.974 6.990 462 HD13 LEU 64 HD13 LEU 64 80.925 4.715 7.221 463 HD21 LEU 64 HD21 LEU 64 82.238 4.596 3.888 464 HD22 LEU 64 HD22 LEU 64 81.457 3.362 4.876 465 HD23 LEU 64 HD23 LEU 64 82.602 4.484 5.609 466 H ARG 65 HN ARG 65 78.385 7.923 6.175 467 HA ARG 65 HA ARG 65 78.683 10.119 4.414 468 HB2 ARG 65 HB2 ARG 65 79.153 9.872 7.404 469 HB3 ARG 65 HB1 ARG 65 79.172 11.402 6.523 470 HG2 ARG 65 HG2 ARG 65 76.869 11.029 5.771 471 HG3 ARG 65 HG1 ARG 65 76.838 9.468 6.589 472 HD2 ARG 65 HD2 ARG 65 77.192 10.590 8.753 473 HD3 ARG 65 HD1 ARG 65 77.228 12.152 7.939 474 HE ARG 65 HE ARG 65 74.854 11.525 7.187 475 HH11 ARG 65 HH11 ARG 65 75.041 8.935 8.891 476 HH12 ARG 65 HH12 ARG 65 74.099 9.395 10.270 477 HH21 ARG 65 HH21 ARG 65 74.173 12.782 9.524 478 HH22 ARG 65 HH22 ARG 65 73.610 11.575 10.630 479 H SER 66 HN SER 66 80.931 11.042 6.503 480 HA SER 66 HA SER 66 83.119 10.528 4.684 481 HB2 SER 66 HB2 SER 66 82.986 12.033 7.299 482 HB3 SER 66 HB1 SER 66 84.434 11.904 6.301 483 HG SER 66 HG SER 66 82.653 13.711 6.069 484 H ALA 67 HN ALA 67 83.975 8.545 4.745 485 HA ALA 67 HA ALA 67 84.057 6.868 7.027 486 HB1 ALA 67 HB1 ALA 67 85.728 6.798 4.504 487 HB2 ALA 67 HB2 ALA 67 84.162 6.014 4.722 488 HB3 ALA 67 HB3 ALA 67 85.555 5.478 5.661 489 H GLN 68 HN GLN 68 85.541 6.616 8.588 490 HA GLN 68 HA GLN 68 88.051 8.185 8.448 491 HB2 GLN 68 HB2 GLN 68 86.134 7.809 10.751 492 HB3 GLN 68 HB1 GLN 68 87.802 8.326 10.991 493 HG2 GLN 68 HG2 GLN 68 87.431 10.244 9.489 494 HG3 GLN 68 HG1 GLN 68 85.765 9.727 9.236 495 HE21 GLN 68 HE21 GLN 68 87.984 11.177 11.586 496 HE22 GLN 68 HE22 GLN 68 86.783 11.651 12.688 497 HA PRO 69 HA PRO 69 90.264 4.410 8.973 498 HB2 PRO 69 HB2 PRO 69 91.818 5.217 11.291 499 HB3 PRO 69 HB1 PRO 69 92.340 5.118 9.604 500 HG2 PRO 69 HG2 PRO 69 91.546 7.467 11.164 501 HG3 PRO 69 HG1 PRO 69 92.449 7.381 9.644 502 HD2 PRO 69 HD2 PRO 69 89.861 8.308 9.831 503 HD3 PRO 69 HD1 PRO 69 90.542 7.597 8.350 504 H HIS 70 HN HIS 70 88.388 3.289 9.604 505 HA HIS 70 HA HIS 70 88.432 1.694 11.804 506 HB2 HIS 70 HB2 HIS 70 88.195 3.448 13.393 507 HB3 HIS 70 HB1 HIS 70 86.981 4.278 12.423 508 HD1 HIS 70 HD1 HIS 70 84.551 3.379 12.552 509 HD2 HIS 70 HD2 HIS 70 87.241 1.230 14.903 510 HE1 HIS 70 HE1 HIS 70 83.157 1.896 14.059 511 H HIS 71 HN HIS 71 86.661 3.415 9.406 512 HA HIS 71 HA HIS 71 84.248 1.843 9.598 513 HB2 HIS 71 HB2 HIS 71 85.275 3.831 7.568 514 HB3 HIS 71 HB1 HIS 71 83.730 2.996 7.399 515 HD1 HIS 71 HD1 HIS 71 85.503 5.554 9.513 516 HD2 HIS 71 HD2 HIS 71 81.713 3.851 9.222 517 HE1 HIS 71 HE1 HIS 71 83.979 6.936 10.988 518 H ALA 72 HN ALA 72 87.332 1.255 8.384 519 HA ALA 72 HA ALA 72 86.849 -0.117 5.993 520 HB1 ALA 72 HB1 ALA 72 89.104 0.405 6.601 521 HB2 ALA 72 HB2 ALA 72 88.970 -1.354 6.573 522 HB3 ALA 72 HB3 ALA 72 88.967 -0.493 8.114 523 H GLY 73 HN GLY 73 86.449 -2.249 5.506 524 HA2 GLY 73 HA2 GLY 73 86.416 -4.495 7.029 525 HA3 GLY 73 HA1 GLY 73 84.889 -3.720 7.442 526 H GLU 74 HN GLU 74 83.503 -5.130 6.489 527 HA GLU 74 HA GLU 74 83.509 -5.242 3.539 528 HB2 GLU 74 HB2 GLU 74 83.324 -7.557 5.462 529 HB3 GLU 74 HB1 GLU 74 82.638 -7.653 3.835 530 HG2 GLU 74 HG2 GLU 74 84.794 -7.199 2.842 531 HG3 GLU 74 HG1 GLU 74 85.509 -6.887 4.424 532 H VAL 75 HN VAL 75 81.329 -6.088 2.757 533 HA VAL 75 HA VAL 75 79.118 -5.013 4.430 534 HB VAL 75 HB VAL 75 79.770 -4.516 1.527 535 HG11 VAL 75 HG11 VAL 75 77.558 -3.161 1.632 536 HG12 VAL 75 HG12 VAL 75 77.159 -4.201 3.000 537 HG13 VAL 75 HG13 VAL 75 77.449 -4.907 1.410 538 HG21 VAL 75 HG21 VAL 75 80.749 -3.083 3.385 539 HG22 VAL 75 HG22 VAL 75 79.100 -2.564 3.735 540 HG23 VAL 75 HG23 VAL 75 79.820 -2.214 2.164 541 H THR 76 HN THR 76 77.397 -6.401 4.653 542 HA THR 76 HA THR 76 76.974 -8.428 2.523 543 HB THR 76 HB THR 76 77.113 -8.959 5.497 544 HG1 THR 76 HG1 THR 76 78.955 -9.070 3.911 545 HG21 THR 76 HG21 THR 76 75.163 -10.134 4.837 546 HG22 THR 76 HG22 THR 76 76.452 -11.331 4.718 547 HG23 THR 76 HG23 THR 76 75.843 -10.544 3.261 548 H PHE 77 HN PHE 77 74.958 -8.570 1.843 549 HA PHE 77 HA PHE 77 72.759 -7.666 3.589 550 HB2 PHE 77 HB2 PHE 77 73.034 -5.798 2.152 551 HB3 PHE 77 HB1 PHE 77 73.242 -6.822 0.736 552 HD1 PHE 77 HD2 PHE 77 70.769 -6.205 3.490 553 HD2 PHE 77 HD1 PHE 77 71.373 -7.138 -0.660 554 HE1 PHE 77 HE2 PHE 77 68.320 -6.137 3.116 555 HE2 PHE 77 HE1 PHE 77 68.923 -7.071 -1.032 556 HZ PHE 77 HZ PHE 77 67.397 -6.570 0.856 557 H ALA 78 HN ALA 78 70.905 -8.842 3.435 558 HA ALA 78 HA ALA 78 70.511 -10.764 1.317 559 HB1 ALA 78 HB1 ALA 78 71.119 -11.732 4.122 560 HB2 ALA 78 HB2 ALA 78 72.086 -12.031 2.679 561 HB3 ALA 78 HB3 ALA 78 70.479 -12.740 2.823 562 H CYS 79 HN CYS 79 68.407 -11.446 1.201 563 HA CYS 79 HA CYS 79 66.578 -11.057 3.402 564 HB2 CYS 79 HB2 CYS 79 66.872 -8.763 2.311 565 HB3 CYS 79 HB1 CYS 79 66.054 -9.448 0.907 566 HG CYS 79 HG CYS 79 64.206 -10.125 2.990 567 H ARG 80 HN ARG 80 64.501 -10.656 1.143 568 HA ARG 80 HA ARG 80 63.676 -13.331 0.958 569 HB2 ARG 80 HB2 ARG 80 62.963 -11.131 -0.982 570 HB3 ARG 80 HB1 ARG 80 61.990 -12.537 -0.546 571 HG2 ARG 80 HG2 ARG 80 62.110 -11.598 1.874 572 HG3 ARG 80 HG1 ARG 80 62.633 -10.096 1.109 573 HD2 ARG 80 HD2 ARG 80 60.080 -11.581 0.435 574 HD3 ARG 80 HD1 ARG 80 60.175 -10.169 1.481 575 HE ARG 80 HE ARG 80 61.367 -9.509 -0.975 576 HH11 ARG 80 HH11 ARG 80 59.116 -7.988 0.371 577 HH12 ARG 80 HH12 ARG 80 57.837 -8.143 -0.786 578 HH21 ARG 80 HH21 ARG 80 59.336 -10.769 -2.486 579 HH22 ARG 80 HH22 ARG 80 57.962 -9.717 -2.405 580 H ASP 81 HN ASP 81 65.531 -14.499 0.290 581 HA ASP 81 HA ASP 81 66.952 -15.509 -1.206 582 HB2 ASP 81 HB2 ASP 81 64.593 -14.829 -2.960 583 HB3 ASP 81 HB1 ASP 81 65.959 -15.785 -3.528 584 H ALA 82 HN ALA 82 66.837 -12.377 -0.987 585 HA ALA 82 HA ALA 82 68.105 -11.654 -3.530 586 HB1 ALA 82 HB1 ALA 82 66.591 -10.001 -2.719 587 HB2 ALA 82 HB2 ALA 82 68.213 -9.366 -2.446 588 HB3 ALA 82 HB3 ALA 82 67.296 -10.050 -1.103 589 H VAL 83 HN VAL 83 70.038 -12.791 -3.453 590 HA VAL 83 HA VAL 83 71.833 -12.568 -1.195 591 HB VAL 83 HB VAL 83 71.688 -14.607 -2.616 592 HG11 VAL 83 HG11 VAL 83 72.485 -14.606 -4.864 593 HG12 VAL 83 HG12 VAL 83 73.154 -12.982 -4.704 594 HG13 VAL 83 HG13 VAL 83 71.407 -13.216 -4.751 595 HG21 VAL 83 HG21 VAL 83 73.727 -14.172 -1.312 596 HG22 VAL 83 HG22 VAL 83 74.372 -13.180 -2.619 597 HG23 VAL 83 HG23 VAL 83 74.146 -14.910 -2.857 598 H ALA 84 HN ALA 84 73.608 -11.288 -1.002 599 HA ALA 84 HA ALA 84 74.760 -9.883 -3.212 600 HB1 ALA 84 HB1 ALA 84 73.427 -8.107 -1.184 601 HB2 ALA 84 HB2 ALA 84 72.612 -8.591 -2.671 602 HB3 ALA 84 HB3 ALA 84 74.112 -7.664 -2.746 603 H SER 85 HN SER 85 76.556 -8.506 -2.559 604 HA SER 85 HA SER 85 77.511 -8.570 0.161 605 HB2 SER 85 HB2 SER 85 79.647 -9.784 -0.474 606 HB3 SER 85 HB1 SER 85 78.210 -10.799 -0.361 607 HG SER 85 HG SER 85 79.496 -11.117 -2.288 608 H ALA 86 HN ALA 86 80.026 -7.839 -0.000 609 HA ALA 86 HA ALA 86 80.882 -6.332 -2.192 610 HB1 ALA 86 HB1 ALA 86 80.337 -4.052 -0.670 611 HB2 ALA 86 HB2 ALA 86 78.853 -4.999 -0.548 612 HB3 ALA 86 HB3 ALA 86 79.479 -4.545 -2.128 613 H ARG 87 HN ARG 87 82.594 -4.673 -1.516 614 HA ARG 87 HA ARG 87 83.903 -5.496 1.015 615 HB2 ARG 87 HB2 ARG 87 86.067 -5.484 -0.161 616 HB3 ARG 87 HB1 ARG 87 84.968 -6.674 -0.858 617 HG2 ARG 87 HG2 ARG 87 84.323 -4.860 -2.552 618 HG3 ARG 87 HG1 ARG 87 85.729 -3.967 -1.972 619 HD2 ARG 87 HD2 ARG 87 85.804 -6.795 -3.058 620 HD3 ARG 87 HD1 ARG 87 86.259 -5.356 -3.967 621 HE ARG 87 HE ARG 87 87.776 -6.616 -1.811 622 HH11 ARG 87 HH21 ARG 87 88.899 -5.700 -4.489 623 HH12 ARG 87 HH22 ARG 87 89.804 -4.296 -4.023 624 HH21 ARG 87 HH11 ARG 87 88.252 -3.996 -0.939 625 HH22 ARG 87 HH12 ARG 87 89.434 -3.332 -2.015 626 H LEU 88 HN LEU 88 84.236 -3.836 2.283 627 HA LEU 88 HA LEU 88 84.340 -1.108 1.152 628 HB2 LEU 88 HB2 LEU 88 82.570 -1.455 2.798 629 HB3 LEU 88 HB1 LEU 88 83.724 -2.107 3.958 630 HG LEU 88 HG LEU 88 84.861 0.056 4.099 631 HD11 LEU 88 HD11 LEU 88 84.714 1.035 1.963 632 HD12 LEU 88 HD12 LEU 88 83.602 2.020 2.909 633 HD13 LEU 88 HD13 LEU 88 82.977 0.759 1.848 634 HD21 LEU 88 HD21 LEU 88 83.023 1.358 5.111 635 HD22 LEU 88 HD22 LEU 88 82.893 -0.348 5.539 636 HD23 LEU 88 HD23 LEU 88 81.847 0.330 4.291 637 H THR 89 HN THR 89 86.213 0.010 1.204 638 HA THR 89 HA THR 89 88.265 -0.706 3.188 639 HB THR 89 HB THR 89 88.954 -2.064 1.361 640 HG1 THR 89 HG1 THR 89 90.397 -0.202 2.283 641 HG21 THR 89 HG21 THR 89 87.493 -0.952 -0.344 642 HG22 THR 89 HG22 THR 89 89.125 -1.258 -0.927 643 HG23 THR 89 HG23 THR 89 88.658 0.366 -0.429 644 H VAL 90 HN VAL 90 89.068 1.034 4.111 645 HA VAL 90 HA VAL 90 88.656 3.668 2.873 646 HB VAL 90 HB VAL 90 89.634 2.882 5.633 647 HG11 VAL 90 HG11 VAL 90 90.525 5.045 5.047 648 HG12 VAL 90 HG12 VAL 90 89.145 5.315 6.111 649 HG13 VAL 90 HG13 VAL 90 88.978 5.555 4.372 650 HG21 VAL 90 HG21 VAL 90 86.963 3.924 4.642 651 HG22 VAL 90 HG22 VAL 90 87.391 3.696 6.338 652 HG23 VAL 90 HG23 VAL 90 87.277 2.302 5.262 653 H LEU 91 HN LEU 91 90.231 4.339 1.565 654 HA LEU 91 HA LEU 91 92.918 3.278 1.763 655 HB2 LEU 91 HB2 LEU 91 91.688 5.329 -0.075 656 HB3 LEU 91 HB1 LEU 91 93.327 4.704 -0.228 657 HG LEU 91 HG LEU 91 90.823 2.989 -0.265 658 HD11 LEU 91 HD11 LEU 91 91.063 4.568 -2.217 659 HD12 LEU 91 HD12 LEU 91 91.097 2.862 -2.662 660 HD13 LEU 91 HD13 LEU 91 92.598 3.784 -2.590 661 HD21 LEU 91 HD21 LEU 91 92.667 1.433 -1.412 662 HD22 LEU 91 HD22 LEU 91 92.516 1.501 0.340 663 HD23 LEU 91 HD23 LEU 91 93.777 2.430 -0.471 664 H GLY 92 HN GLY 92 94.814 4.554 1.911 665 HA2 GLY 92 HA2 GLY 92 94.556 7.216 3.151 666 HA3 GLY 92 HA1 GLY 92 95.449 5.958 4.004 667 H LEU 93 HN LEU 93 97.091 7.847 3.629 668 HA LEU 93 HA LEU 93 98.431 7.521 1.032 669 HB2 LEU 93 HB2 LEU 93 99.017 9.676 3.060 670 HB3 LEU 93 HB1 LEU 93 99.371 9.670 1.334 671 HG LEU 93 HG LEU 93 96.591 9.748 2.548 672 HD11 LEU 93 HD11 LEU 93 96.584 12.060 1.559 673 HD12 LEU 93 HD12 LEU 93 98.310 11.874 1.245 674 HD13 LEU 93 HD13 LEU 93 97.710 11.861 2.903 675 HD21 LEU 93 HD21 LEU 93 96.032 10.338 0.110 676 HD22 LEU 93 HD22 LEU 93 96.451 8.656 0.430 677 HD23 LEU 93 HD23 LEU 93 97.642 9.740 -0.290 678 HA PRO 94 HA PRO 94 101.779 5.637 3.225 679 HB2 PRO 94 HB2 PRO 94 103.953 6.927 1.825 680 HB3 PRO 94 HB1 PRO 94 103.218 5.354 1.480 681 HG2 PRO 94 HG2 PRO 94 103.052 7.563 -0.173 682 HG3 PRO 94 HG1 PRO 94 101.934 6.189 -0.200 683 HD2 PRO 94 HD2 PRO 94 101.580 8.881 1.087 684 HD3 PRO 94 HD1 PRO 94 100.398 7.872 0.230 685 H ASP 95 HN ASP 95 101.299 8.913 3.502 686 HA ASP 95 HA ASP 95 103.632 9.620 5.047 687 HB2 ASP 95 HB2 ASP 95 101.008 11.002 4.492 688 HB3 ASP 95 HB1 ASP 95 102.243 11.694 5.542 689 H GLY 96 HN GLY 96 103.921 8.667 6.958 690 HA2 GLY 96 HA2 GLY 96 101.639 8.083 8.710 691 HA3 GLY 96 HA1 GLY 96 103.298 7.536 8.936 692 H LEU 97 HN LEU 97 100.998 10.027 9.578 693 HA LEU 97 HA LEU 97 102.974 11.837 10.752 694 HB2 LEU 97 HB2 LEU 97 100.998 13.276 11.216 695 HB3 LEU 97 HB1 LEU 97 101.187 12.871 9.514 696 HG LEU 97 HG LEU 97 99.569 10.798 10.325 697 HD11 LEU 97 HD11 LEU 97 98.679 13.221 11.920 698 HD12 LEU 97 HD12 LEU 97 99.369 11.758 12.615 699 HD13 LEU 97 HD13 LEU 97 97.821 11.688 11.782 700 HD21 LEU 97 HD21 LEU 97 97.674 12.153 9.394 701 HD22 LEU 97 HD22 LEU 97 99.115 12.185 8.379 702 HD23 LEU 97 HD23 LEU 97 98.729 13.567 9.404 703 H GLU 98 HN GLU 98 103.075 12.393 12.913 704 HA GLU 98 HA GLU 98 101.451 10.896 14.856 705 HB2 GLU 98 HB2 GLU 98 104.485 10.878 14.804 706 HB3 GLU 98 HB1 GLU 98 103.501 10.294 16.143 707 HG2 GLU 98 HG2 GLU 98 103.400 9.214 13.312 708 HG3 GLU 98 HG1 GLU 98 104.240 8.453 14.657 709 H HIS 99 HN HIS 99 104.485 12.646 15.269 710 HA HIS 99 HA HIS 99 103.162 15.065 16.202 711 HB2 HIS 99 HB2 HIS 99 103.140 13.515 18.179 712 HB3 HIS 99 HB1 HIS 99 104.902 13.462 18.094 713 HD1 HIS 99 HD1 HIS 99 102.057 15.900 18.697 714 HD2 HIS 99 HD2 HIS 99 106.194 15.692 19.193 715 HE1 HIS 99 HE1 HIS 99 102.725 17.941 20.042 716 H HIS 100 HN HIS 100 105.756 13.316 14.955 717 HA HIS 100 HA HIS 100 107.914 15.088 15.532 718 HB2 HIS 100 HB2 HIS 100 107.534 13.011 13.368 719 HB3 HIS 100 HB1 HIS 100 109.051 13.859 13.674 720 HD1 HIS 100 HD1 HIS 100 109.988 13.581 16.227 721 HD2 HIS 100 HD2 HIS 100 107.167 10.784 14.969 722 HE1 HIS 100 HE1 HIS 100 110.148 11.630 17.835 723 H HIS 101 HN HIS 101 106.778 14.363 12.260 724 HA HIS 101 HA HIS 101 106.631 17.260 11.655 725 HB2 HIS 101 HB2 HIS 101 108.830 16.386 10.923 726 HB3 HIS 101 HB1 HIS 101 108.006 15.169 9.948 727 HD1 HIS 101 HD1 HIS 101 108.218 18.959 10.277 728 HD2 HIS 101 HD2 HIS 101 107.243 16.072 7.432 729 HE1 HIS 101 HE1 HIS 101 107.852 20.196 8.097 730 H HIS 102 HN HIS 102 104.971 17.840 10.388 731 HA HIS 102 HA HIS 102 103.161 15.713 9.411 732 HB2 HIS 102 HB2 HIS 102 102.622 18.648 9.924 733 HB3 HIS 102 HB1 HIS 102 101.428 17.434 9.462 734 HD1 HIS 102 HD1 HIS 102 100.999 15.474 11.229 735 HD2 HIS 102 HD2 HIS 102 103.249 18.681 12.653 736 HE1 HIS 102 HE1 HIS 102 101.039 15.257 13.752 737 H HIS 103 HN HIS 103 101.715 17.008 7.540 738 HA HIS 103 HA HIS 103 103.362 16.910 5.254 739 HB2 HIS 103 HB2 HIS 103 100.851 16.570 5.325 740 HB3 HIS 103 HB1 HIS 103 100.695 18.324 5.435 741 HD1 HIS 103 HD1 HIS 103 100.275 19.314 3.196 742 HD2 HIS 103 HD2 HIS 103 102.818 16.021 2.949 743 HE1 HIS 103 HE1 HIS 103 100.900 19.073 0.753 744 H HIS 104 HN HIS 104 103.179 19.252 7.603 745 HA HIS 104 HA HIS 104 103.614 21.557 5.866 746 HB2 HIS 104 HB2 HIS 104 103.671 21.276 8.882 747 HB3 HIS 104 HB1 HIS 104 103.807 22.797 8.000 748 HD1 HIS 104 HD1 HIS 104 101.690 23.388 6.413 749 HD2 HIS 104 HD2 HIS 104 101.049 20.446 9.296 750 HE1 HIS 104 HE1 HIS 104 99.178 23.142 6.639 Start of MODEL 14 1 H1 TRP 1 HT1 TRP 1 59.199 -13.870 -12.426 2 H2 TRP 1 HT2 TRP 1 57.879 -14.522 -13.274 3 H3 TRP 1 HT3 TRP 1 58.868 -15.530 -12.328 4 HA TRP 1 HA TRP 1 57.020 -13.417 -11.370 5 HB2 TRP 1 HB2 TRP 1 57.108 -16.437 -11.126 6 HB3 TRP 1 HB1 TRP 1 56.054 -15.419 -10.142 7 HD1 TRP 1 HD1 TRP 1 56.468 -16.831 -13.609 8 HE1 TRP 1 HE1 TRP 1 54.425 -16.195 -15.045 9 HE3 TRP 1 HE3 TRP 1 54.195 -13.498 -10.480 10 HZ2 TRP 1 HZ2 TRP 1 52.123 -14.499 -14.883 11 HZ3 TRP 1 HZ3 TRP 1 52.079 -12.390 -11.141 12 HH2 TRP 1 HH2 TRP 1 51.041 -12.885 -13.338 13 H ARG 2 HN ARG 2 59.997 -15.001 -10.936 14 HA ARG 2 HA ARG 2 60.058 -14.478 -8.029 15 HB2 ARG 2 HB2 ARG 2 62.061 -15.926 -9.786 16 HB3 ARG 2 HB1 ARG 2 62.119 -15.803 -8.030 17 HG2 ARG 2 HG2 ARG 2 59.708 -16.982 -9.415 18 HG3 ARG 2 HG1 ARG 2 61.128 -17.969 -9.080 19 HD2 ARG 2 HD2 ARG 2 60.961 -17.310 -6.668 20 HD3 ARG 2 HD1 ARG 2 59.471 -16.454 -7.039 21 HE ARG 2 HE ARG 2 58.385 -18.526 -7.378 22 HH11 ARG 2 HH21 ARG 2 60.893 -18.836 -5.262 23 HH12 ARG 2 HH22 ARG 2 61.157 -20.531 -5.488 24 HH21 ARG 2 HH11 ARG 2 59.108 -20.746 -8.280 25 HH22 ARG 2 HH12 ARG 2 60.157 -21.611 -7.210 26 H LEU 3 HN LEU 3 60.263 -12.232 -8.035 27 HA LEU 3 HA LEU 3 62.291 -10.904 -9.601 28 HB2 LEU 3 HB2 LEU 3 60.582 -9.970 -7.296 29 HB3 LEU 3 HB1 LEU 3 61.666 -8.926 -8.211 30 HG LEU 3 HG LEU 3 59.407 -10.534 -9.411 31 HD11 LEU 3 HD11 LEU 3 58.431 -8.152 -9.716 32 HD12 LEU 3 HD12 LEU 3 59.564 -7.688 -8.447 33 HD13 LEU 3 HD13 LEU 3 58.324 -8.896 -8.122 34 HD21 LEU 3 HD21 LEU 3 59.898 -8.652 -11.258 35 HD22 LEU 3 HD22 LEU 3 60.791 -10.169 -11.232 36 HD23 LEU 3 HD23 LEU 3 61.508 -8.717 -10.539 37 H GLU 4 HN GLU 4 64.219 -10.015 -8.874 38 HA GLU 4 HA GLU 4 65.116 -10.704 -6.150 39 HB2 GLU 4 HB2 GLU 4 66.613 -11.424 -8.684 40 HB3 GLU 4 HB1 GLU 4 67.216 -11.631 -7.038 41 HG2 GLU 4 HG2 GLU 4 65.305 -13.116 -6.529 42 HG3 GLU 4 HG1 GLU 4 64.740 -12.942 -8.189 43 H ILE 5 HN ILE 5 67.903 -10.010 -7.223 44 HA ILE 5 HA ILE 5 67.662 -7.126 -6.796 45 HB ILE 5 HB ILE 5 70.102 -8.905 -6.992 46 HG12 ILE 5 HG12 ILE 5 68.825 -7.705 -4.517 47 HG13 ILE 5 HG11 ILE 5 68.506 -9.351 -5.061 48 HG21 ILE 5 HG21 ILE 5 71.112 -6.884 -5.774 49 HG22 ILE 5 HG22 ILE 5 69.667 -6.000 -6.266 50 HG23 ILE 5 HG23 ILE 5 70.750 -6.670 -7.487 51 HD11 ILE 5 HD11 ILE 5 70.316 -9.301 -3.371 52 HD12 ILE 5 HD12 ILE 5 71.246 -8.224 -4.416 53 HD13 ILE 5 HD13 ILE 5 70.905 -9.875 -4.931 54 H LEU 6 HN LEU 6 66.950 -6.338 -8.788 55 HA LEU 6 HA LEU 6 67.960 -7.158 -11.279 56 HB2 LEU 6 HB2 LEU 6 66.597 -4.634 -10.335 57 HB3 LEU 6 HB1 LEU 6 67.143 -4.805 -12.004 58 HG LEU 6 HG LEU 6 65.832 -7.014 -12.056 59 HD11 LEU 6 HD11 LEU 6 63.919 -7.049 -10.404 60 HD12 LEU 6 HD12 LEU 6 64.773 -5.810 -9.487 61 HD13 LEU 6 HD13 LEU 6 65.497 -7.404 -9.706 62 HD21 LEU 6 HD21 LEU 6 63.666 -5.823 -12.403 63 HD22 LEU 6 HD22 LEU 6 65.021 -5.013 -13.190 64 HD23 LEU 6 HD23 LEU 6 64.375 -4.383 -11.674 65 H GLU 7 HN GLU 7 68.940 -4.411 -9.184 66 HA GLU 7 HA GLU 7 71.515 -4.348 -10.657 67 HB2 GLU 7 HB2 GLU 7 69.860 -2.036 -9.611 68 HB3 GLU 7 HB1 GLU 7 71.536 -1.884 -10.142 69 HG2 GLU 7 HG2 GLU 7 70.946 -2.696 -12.368 70 HG3 GLU 7 HG1 GLU 7 69.281 -2.963 -11.858 71 H LEU 8 HN LEU 8 73.052 -5.063 -9.367 72 HA LEU 8 HA LEU 8 72.860 -4.645 -6.442 73 HB2 LEU 8 HB2 LEU 8 74.850 -6.305 -6.490 74 HB3 LEU 8 HB1 LEU 8 73.239 -6.930 -6.829 75 HG LEU 8 HG LEU 8 74.833 -5.949 -9.181 76 HD11 LEU 8 HD11 LEU 8 76.526 -7.233 -7.991 77 HD12 LEU 8 HD12 LEU 8 75.943 -8.186 -9.356 78 HD13 LEU 8 HD13 LEU 8 75.384 -8.550 -7.724 79 HD21 LEU 8 HD21 LEU 8 73.215 -8.486 -8.828 80 HD22 LEU 8 HD22 LEU 8 73.649 -7.679 -10.336 81 HD23 LEU 8 HD23 LEU 8 72.471 -6.946 -9.254 82 H LEU 9 HN LEU 9 73.950 -2.916 -5.676 83 HA LEU 9 HA LEU 9 76.264 -1.911 -7.200 84 HB2 LEU 9 HB2 LEU 9 74.383 -0.348 -6.642 85 HB3 LEU 9 HB1 LEU 9 74.788 -0.575 -4.944 86 HG LEU 9 HG LEU 9 77.091 0.242 -5.396 87 HD11 LEU 9 HD11 LEU 9 76.008 0.355 -8.196 88 HD12 LEU 9 HD12 LEU 9 77.617 -0.095 -7.633 89 HD13 LEU 9 HD13 LEU 9 77.155 1.600 -7.699 90 HD21 LEU 9 HD21 LEU 9 75.330 1.785 -4.611 91 HD22 LEU 9 HD22 LEU 9 74.875 2.117 -6.281 92 HD23 LEU 9 HD23 LEU 9 76.459 2.611 -5.686 93 H LYS 10 HN LYS 10 78.202 -2.411 -6.530 94 HA LYS 10 HA LYS 10 78.852 -2.552 -3.683 95 HB2 LYS 10 HB2 LYS 10 79.932 -4.722 -3.867 96 HB3 LYS 10 HB1 LYS 10 78.239 -4.867 -4.317 97 HG2 LYS 10 HG2 LYS 10 80.516 -4.574 -6.312 98 HG3 LYS 10 HG1 LYS 10 79.798 -6.102 -5.840 99 HD2 LYS 10 HD2 LYS 10 78.382 -5.770 -7.604 100 HD3 LYS 10 HD1 LYS 10 77.530 -4.678 -6.521 101 HE2 LYS 10 HE2 LYS 10 77.864 -3.181 -8.236 102 HE3 LYS 10 HE1 LYS 10 79.461 -2.989 -7.523 103 HZ1 LYS 10 HZ1 LYS 10 79.498 -5.258 -9.153 104 HZ2 LYS 10 HZ2 LYS 10 80.329 -3.793 -9.377 105 HZ3 LYS 10 HZ3 LYS 10 78.781 -4.006 -10.044 106 H ASN 11 HN ASN 11 81.414 -3.564 -3.951 107 HA ASN 11 HA ASN 11 83.559 -2.856 -4.371 108 HB2 ASN 11 HB2 ASN 11 82.307 -2.138 -7.034 109 HB3 ASN 11 HB1 ASN 11 84.037 -2.126 -6.707 110 HD21 ASN 11 HD21 ASN 11 84.063 -4.493 -4.995 111 HD22 ASN 11 HD22 ASN 11 83.752 -5.829 -5.997 112 H ALA 12 HN ALA 12 84.174 -1.212 -3.127 113 HA ALA 12 HA ALA 12 83.976 1.477 -4.166 114 HB1 ALA 12 HB1 ALA 12 82.630 2.471 -2.514 115 HB2 ALA 12 HB2 ALA 12 82.674 1.034 -1.492 116 HB3 ALA 12 HB3 ALA 12 81.756 1.020 -2.998 117 H ALA 13 HN ALA 13 85.460 2.798 -3.467 118 HA ALA 13 HA ALA 13 87.174 2.052 -1.163 119 HB1 ALA 13 HB1 ALA 13 89.071 3.027 -2.398 120 HB2 ALA 13 HB2 ALA 13 88.018 3.356 -3.773 121 HB3 ALA 13 HB3 ALA 13 88.367 1.691 -3.308 122 H VAL 14 HN VAL 14 87.334 3.677 0.353 123 HA VAL 14 HA VAL 14 86.578 6.418 -0.503 124 HB VAL 14 HB VAL 14 85.288 6.567 1.689 125 HG11 VAL 14 HG11 VAL 14 84.242 4.605 -0.367 126 HG12 VAL 14 HG12 VAL 14 84.265 6.353 -0.595 127 HG13 VAL 14 HG13 VAL 14 83.291 5.644 0.686 128 HG21 VAL 14 HG21 VAL 14 84.429 4.385 2.536 129 HG22 VAL 14 HG22 VAL 14 86.166 4.536 2.764 130 HG23 VAL 14 HG23 VAL 14 85.533 3.547 1.451 131 H ARG 15 HN ARG 15 88.322 7.570 -0.217 132 HA ARG 15 HA ARG 15 90.193 7.095 1.925 133 HB2 ARG 15 HB2 ARG 15 91.331 9.121 1.059 134 HB3 ARG 15 HB1 ARG 15 91.009 7.947 -0.216 135 HG2 ARG 15 HG2 ARG 15 88.998 9.195 -0.872 136 HG3 ARG 15 HG1 ARG 15 89.287 10.365 0.413 137 HD2 ARG 15 HD2 ARG 15 91.439 10.966 -0.622 138 HD3 ARG 15 HD1 ARG 15 91.155 9.790 -1.901 139 HE ARG 15 HE ARG 15 88.942 11.495 -1.849 140 HH11 ARG 15 HH11 ARG 15 91.056 10.945 -4.098 141 HH12 ARG 15 HH12 ARG 15 91.529 12.569 -4.469 142 HH21 ARG 15 HH21 ARG 15 90.104 13.918 -1.609 143 HH22 ARG 15 HH22 ARG 15 90.986 14.253 -3.062 144 H ALA 16 HN ALA 16 90.871 9.023 3.317 145 HA ALA 16 HA ALA 16 88.880 9.671 5.120 146 HB1 ALA 16 HB1 ALA 16 91.340 11.313 4.471 147 HB2 ALA 16 HB2 ALA 16 91.290 9.936 5.569 148 HB3 ALA 16 HB3 ALA 16 90.398 11.406 5.959 149 H GLY 17 HN GLY 17 86.983 10.610 4.572 150 HA2 GLY 17 HA2 GLY 17 85.823 12.716 4.351 151 HA3 GLY 17 HA1 GLY 17 87.077 13.261 3.245 152 H ALA 18 HN ALA 18 86.655 10.220 2.270 153 HA ALA 18 HA ALA 18 85.036 10.988 0.012 154 HB1 ALA 18 HB1 ALA 18 86.387 8.426 0.829 155 HB2 ALA 18 HB2 ALA 18 86.738 9.474 -0.542 156 HB3 ALA 18 HB3 ALA 18 85.288 8.479 -0.547 157 H GLN 19 HN GLN 19 83.375 9.088 -0.668 158 HA GLN 19 HA GLN 19 81.598 8.504 1.621 159 HB2 GLN 19 HB2 GLN 19 80.778 10.577 0.622 160 HB3 GLN 19 HB1 GLN 19 80.765 9.825 -0.974 161 HG2 GLN 19 HG2 GLN 19 79.060 8.253 -0.292 162 HG3 GLN 19 HG1 GLN 19 79.169 8.792 1.382 163 HE21 GLN 19 HE21 GLN 19 76.705 8.899 -0.147 164 HE22 GLN 19 HE22 GLN 19 76.295 10.534 -0.341 165 H ALA 20 HN ALA 20 80.239 6.710 1.338 166 HA ALA 20 HA ALA 20 80.928 4.954 -0.965 167 HB1 ALA 20 HB1 ALA 20 81.589 4.328 1.512 168 HB2 ALA 20 HB2 ALA 20 80.916 3.102 0.445 169 HB3 ALA 20 HB3 ALA 20 79.891 3.882 1.647 170 H CYS 21 HN CYS 21 79.293 4.212 -2.194 171 HA CYS 21 HA CYS 21 76.511 4.680 -1.260 172 HB2 CYS 21 HB2 CYS 21 77.477 6.133 -3.185 173 HB3 CYS 21 HB1 CYS 21 77.300 4.678 -4.162 174 HG CYS 21 HG CYS 21 74.690 4.819 -3.051 175 H PHE 22 HN PHE 22 75.768 2.754 -0.684 176 HA PHE 22 HA PHE 22 76.058 0.446 -2.553 177 HB2 PHE 22 HB2 PHE 22 75.686 0.484 0.468 178 HB3 PHE 22 HB1 PHE 22 75.624 -0.964 -0.532 179 HD1 PHE 22 HD1 PHE 22 77.680 -1.570 -1.920 180 HD2 PHE 22 HD2 PHE 22 77.750 1.340 1.231 181 HE1 PHE 22 HE1 PHE 22 80.143 -1.812 -1.756 182 HE2 PHE 22 HE2 PHE 22 80.211 1.098 1.399 183 HZ PHE 22 HZ PHE 22 81.409 -0.476 -0.095 184 H THR 23 HN THR 23 74.136 0.465 -3.677 185 HA THR 23 HA THR 23 71.636 0.417 -2.106 186 HB THR 23 HB THR 23 70.548 2.012 -3.430 187 HG1 THR 23 HG1 THR 23 71.056 1.351 -5.451 188 HG21 THR 23 HG21 THR 23 71.831 3.989 -3.254 189 HG22 THR 23 HG22 THR 23 73.344 3.132 -3.548 190 HG23 THR 23 HG23 THR 23 72.502 2.930 -2.013 191 H CYS 24 HN CYS 24 70.007 -0.920 -3.025 192 HA CYS 24 HA CYS 24 70.771 -2.328 -5.523 193 HB2 CYS 24 HB2 CYS 24 70.169 -4.462 -4.529 194 HB3 CYS 24 HB1 CYS 24 71.443 -3.700 -3.578 195 HG CYS 24 HG CYS 24 69.185 -2.806 -2.116 196 H THR 25 HN THR 25 69.270 -1.429 -6.787 197 HA THR 25 HA THR 25 66.583 -0.933 -6.017 198 HB THR 25 HB THR 25 67.594 -1.287 -8.841 199 HG1 THR 25 HG1 THR 25 68.175 0.582 -6.927 200 HG21 THR 25 HG21 THR 25 65.169 -1.090 -8.609 201 HG22 THR 25 HG22 THR 25 65.822 0.393 -9.305 202 HG23 THR 25 HG23 THR 25 65.360 0.346 -7.605 203 H LEU 26 HN LEU 26 65.214 -2.493 -5.485 204 HA LEU 26 HA LEU 26 65.279 -5.096 -6.850 205 HB2 LEU 26 HB2 LEU 26 63.482 -4.182 -4.591 206 HB3 LEU 26 HB1 LEU 26 63.742 -5.833 -5.141 207 HG LEU 26 HG LEU 26 65.826 -4.029 -3.882 208 HD11 LEU 26 HD11 LEU 26 65.715 -5.827 -2.090 209 HD12 LEU 26 HD12 LEU 26 64.276 -6.441 -2.905 210 HD13 LEU 26 HD13 LEU 26 64.276 -4.816 -2.219 211 HD21 LEU 26 HD21 LEU 26 67.048 -5.402 -5.347 212 HD22 LEU 26 HD22 LEU 26 65.947 -6.766 -5.152 213 HD23 LEU 26 HD23 LEU 26 67.061 -6.337 -3.853 214 H SER 27 HN SER 27 62.941 -6.014 -7.181 215 HA SER 27 HA SER 27 61.310 -3.970 -8.588 216 HB2 SER 27 HB2 SER 27 62.119 -5.453 -10.257 217 HB3 SER 27 HB1 SER 27 61.906 -6.861 -9.219 218 HG SER 27 HG SER 27 60.211 -6.728 -10.699 219 H GLU 28 HN GLU 28 61.623 -5.947 -5.959 220 HA GLU 28 HA GLU 28 58.695 -6.108 -5.501 221 HB2 GLU 28 HB2 GLU 28 59.067 -8.199 -4.292 222 HB3 GLU 28 HB1 GLU 28 59.680 -8.345 -5.939 223 HG2 GLU 28 HG2 GLU 28 61.963 -7.727 -5.052 224 HG3 GLU 28 HG1 GLU 28 61.295 -7.844 -3.426 225 H ALA 29 HN ALA 29 57.973 -5.397 -3.578 226 HA ALA 29 HA ALA 29 59.801 -3.931 -1.867 227 HB1 ALA 29 HB1 ALA 29 57.423 -3.212 -2.527 228 HB2 ALA 29 HB2 ALA 29 57.865 -3.048 -0.828 229 HB3 ALA 29 HB3 ALA 29 56.864 -4.402 -1.353 230 H VAL 30 HN VAL 30 60.530 -4.544 0.132 231 HA VAL 30 HA VAL 30 59.617 -7.172 1.157 232 HB VAL 30 HB VAL 30 62.346 -5.953 1.543 233 HG11 VAL 30 HG11 VAL 30 62.914 -8.289 2.135 234 HG12 VAL 30 HG12 VAL 30 61.230 -8.752 1.896 235 HG13 VAL 30 HG13 VAL 30 61.664 -7.642 3.197 236 HG21 VAL 30 HG21 VAL 30 61.966 -6.348 -0.851 237 HG22 VAL 30 HG22 VAL 30 61.381 -7.976 -0.504 238 HG23 VAL 30 HG23 VAL 30 63.070 -7.564 -0.211 239 HA PRO 31 HA PRO 31 58.489 -4.695 4.749 240 HB2 PRO 31 HB2 PRO 31 58.564 -6.968 6.552 241 HB3 PRO 31 HB1 PRO 31 57.145 -6.147 5.893 242 HG2 PRO 31 HG2 PRO 31 58.137 -8.724 5.212 243 HG3 PRO 31 HG1 PRO 31 56.770 -7.866 4.491 244 HD2 PRO 31 HD2 PRO 31 59.399 -8.359 3.338 245 HD3 PRO 31 HD1 PRO 31 57.969 -7.625 2.578 246 H VAL 32 HN VAL 32 59.408 -5.485 7.396 247 HA VAL 32 HA VAL 32 62.331 -5.031 7.101 248 HB VAL 32 HB VAL 32 60.559 -4.172 9.402 249 HG11 VAL 32 HG11 VAL 32 62.612 -2.698 9.822 250 HG12 VAL 32 HG12 VAL 32 63.459 -3.712 8.656 251 HG13 VAL 32 HG13 VAL 32 62.821 -4.419 10.141 252 HG21 VAL 32 HG21 VAL 32 60.750 -1.913 8.470 253 HG22 VAL 32 HG22 VAL 32 60.009 -2.988 7.283 254 HG23 VAL 32 HG23 VAL 32 61.705 -2.531 7.121 255 H GLY 33 HN GLY 33 63.195 -6.959 7.334 256 HA2 GLY 33 HA2 GLY 33 63.667 -8.268 9.654 257 HA3 GLY 33 HA1 GLY 33 62.142 -8.969 9.119 258 H GLU 34 HN GLU 34 62.365 -9.140 6.433 259 HA GLU 34 HA GLU 34 64.132 -11.360 6.073 260 HB2 GLU 34 HB2 GLU 34 61.947 -11.054 4.872 261 HB3 GLU 34 HB1 GLU 34 62.693 -9.756 3.943 262 HG2 GLU 34 HG2 GLU 34 62.865 -11.737 2.602 263 HG3 GLU 34 HG1 GLU 34 64.478 -11.439 3.246 264 H ALA 35 HN ALA 35 64.161 -7.977 4.973 265 HA ALA 35 HA ALA 35 66.651 -8.262 3.539 266 HB1 ALA 35 HB1 ALA 35 66.481 -5.763 3.352 267 HB2 ALA 35 HB2 ALA 35 65.029 -5.834 4.350 268 HB3 ALA 35 HB3 ALA 35 65.050 -6.613 2.768 269 H SER 36 HN SER 36 68.731 -7.569 4.176 270 HA SER 36 HA SER 36 69.017 -6.493 6.909 271 HB2 SER 36 HB2 SER 36 70.463 -8.941 5.870 272 HB3 SER 36 HB1 SER 36 70.763 -8.145 7.414 273 HG SER 36 HG SER 36 69.044 -9.068 8.196 274 H TRP 37 HN TRP 37 70.417 -4.899 6.979 275 HA TRP 37 HA TRP 37 72.510 -4.682 4.878 276 HB2 TRP 37 HB2 TRP 37 70.528 -2.707 5.925 277 HB3 TRP 37 HB1 TRP 37 72.141 -2.097 5.581 278 HD1 TRP 37 HD1 TRP 37 68.920 -2.917 3.969 279 HE1 TRP 37 HE1 TRP 37 69.131 -2.755 1.405 280 HE3 TRP 37 HE3 TRP 37 74.001 -2.638 3.512 281 HZ2 TRP 37 HZ2 TRP 37 71.174 -2.535 -0.575 282 HZ3 TRP 37 HZ3 TRP 37 75.051 -2.448 1.275 283 HH2 TRP 37 HH2 TRP 37 73.645 -2.395 -0.768 284 H TYR 38 HN TYR 38 74.379 -5.095 5.822 285 HA TYR 38 HA TYR 38 75.215 -3.568 8.148 286 HB2 TYR 38 HB2 TYR 38 75.134 -6.587 8.340 287 HB3 TYR 38 HB1 TYR 38 75.910 -5.502 9.500 288 HD1 TYR 38 HD2 TYR 38 72.656 -6.564 8.051 289 HD2 TYR 38 HD1 TYR 38 74.618 -4.253 11.092 290 HE1 TYR 38 HE2 TYR 38 70.490 -6.271 9.224 291 HE2 TYR 38 HE1 TYR 38 72.453 -3.961 12.267 292 HH TYR 38 HH TYR 38 69.562 -4.392 10.921 293 H ILE 39 HN ILE 39 77.425 -3.755 8.614 294 HA ILE 39 HA ILE 39 79.089 -5.059 6.550 295 HB ILE 39 HB ILE 39 80.533 -3.164 6.384 296 HG12 ILE 39 HG12 ILE 39 80.532 -2.384 8.701 297 HG13 ILE 39 HG11 ILE 39 80.136 -1.055 7.631 298 HG21 ILE 39 HG21 ILE 39 77.727 -2.037 6.340 299 HG22 ILE 39 HG22 ILE 39 78.354 -3.139 5.121 300 HG23 ILE 39 HG23 ILE 39 79.100 -1.557 5.342 301 HD11 ILE 39 HD11 ILE 39 77.644 -1.749 8.120 302 HD12 ILE 39 HD12 ILE 39 78.534 -0.800 9.302 303 HD13 ILE 39 HD13 ILE 39 78.345 -2.535 9.531 304 H ASN 40 HN ASN 40 80.672 -6.371 7.457 305 HA ASN 40 HA ASN 40 80.727 -6.756 10.231 306 HB2 ASN 40 HB2 ASN 40 81.436 -8.429 8.535 307 HB3 ASN 40 HB1 ASN 40 82.845 -7.433 8.180 308 HD21 ASN 40 HD21 ASN 40 81.963 -10.108 9.908 309 HD22 ASN 40 HD22 ASN 40 83.123 -10.037 11.144 310 H GLY 41 HN GLY 41 81.519 -5.463 11.720 311 HA2 GLY 41 HA2 GLY 41 83.571 -4.497 12.661 312 HA3 GLY 41 HA1 GLY 41 83.877 -3.776 11.085 313 H ALA 42 HN ALA 42 80.573 -3.577 11.504 314 HA ALA 42 HA ALA 42 80.500 -1.353 13.340 315 HB1 ALA 42 HB1 ALA 42 80.733 -0.846 10.404 316 HB2 ALA 42 HB2 ALA 42 81.397 0.069 11.750 317 HB3 ALA 42 HB3 ALA 42 79.684 0.206 11.350 318 H ALA 43 HN ALA 43 78.895 -3.164 13.906 319 HA ALA 43 HA ALA 43 76.586 -3.753 12.512 320 HB1 ALA 43 HB1 ALA 43 76.937 -4.842 14.600 321 HB2 ALA 43 HB2 ALA 43 75.490 -3.854 14.824 322 HB3 ALA 43 HB3 ALA 43 77.041 -3.311 15.464 323 H VAL 44 HN VAL 44 74.836 -2.633 11.859 324 HA VAL 44 HA VAL 44 74.754 0.231 12.366 325 HB VAL 44 HB VAL 44 72.799 -1.397 10.745 326 HG11 VAL 44 HG11 VAL 44 72.228 0.969 11.264 327 HG12 VAL 44 HG12 VAL 44 72.526 0.725 9.542 328 HG13 VAL 44 HG13 VAL 44 73.760 1.477 10.553 329 HG21 VAL 44 HG21 VAL 44 75.058 -1.950 9.984 330 HG22 VAL 44 HG22 VAL 44 75.486 -0.239 9.935 331 HG23 VAL 44 HG23 VAL 44 74.290 -0.883 8.812 332 H GLN 45 HN GLN 45 73.877 0.903 14.180 333 HA GLN 45 HA GLN 45 71.659 -0.550 15.429 334 HB2 GLN 45 HB2 GLN 45 73.551 1.640 16.276 335 HB3 GLN 45 HB1 GLN 45 72.090 1.316 17.205 336 HG2 GLN 45 HG2 GLN 45 72.756 -0.987 17.565 337 HG3 GLN 45 HG1 GLN 45 74.136 -0.797 16.486 338 HE21 GLN 45 HE21 GLN 45 73.382 1.897 18.577 339 HE22 GLN 45 HE22 GLN 45 74.654 1.654 19.672 340 HA PRO 46 HA PRO 46 68.496 2.095 13.907 341 HB2 PRO 46 HB2 PRO 46 67.253 2.750 16.438 342 HB3 PRO 46 HB1 PRO 46 66.720 1.562 15.241 343 HG2 PRO 46 HG2 PRO 46 68.044 1.117 17.784 344 HG3 PRO 46 HG1 PRO 46 67.301 -0.063 16.696 345 HD2 PRO 46 HD2 PRO 46 70.067 0.255 17.148 346 HD3 PRO 46 HD1 PRO 46 69.334 -0.670 15.827 347 H ASP 47 HN ASP 47 70.491 3.123 16.575 348 HA ASP 47 HA ASP 47 69.905 5.965 16.134 349 HB2 ASP 47 HB2 ASP 47 71.488 6.262 18.073 350 HB3 ASP 47 HB1 ASP 47 70.046 5.320 18.441 351 H ASP 48 HN ASP 48 71.619 3.895 14.417 352 HA ASP 48 HA ASP 48 74.264 4.513 14.322 353 HB2 ASP 48 HB2 ASP 48 74.196 4.123 11.896 354 HB3 ASP 48 HB1 ASP 48 73.209 2.945 12.761 355 H SER 49 HN SER 49 75.304 6.365 14.414 356 HA SER 49 HA SER 49 74.059 8.839 13.533 357 HB2 SER 49 HB2 SER 49 76.187 9.828 14.493 358 HB3 SER 49 HB1 SER 49 75.165 8.952 15.630 359 HG SER 49 HG SER 49 76.698 7.136 14.632 360 H ASP 50 HN ASP 50 76.916 6.863 12.592 361 HA ASP 50 HA ASP 50 77.660 8.823 10.573 362 HB2 ASP 50 HB2 ASP 50 78.841 6.194 11.463 363 HB3 ASP 50 HB1 ASP 50 79.487 7.133 10.117 364 H TRP 51 HN TRP 51 75.935 5.772 10.703 365 HA TRP 51 HA TRP 51 75.920 5.667 7.731 366 HB2 TRP 51 HB2 TRP 51 75.131 3.458 9.633 367 HB3 TRP 51 HB1 TRP 51 75.340 3.348 7.889 368 HD1 TRP 51 HD1 TRP 51 77.835 3.433 6.933 369 HE1 TRP 51 HE1 TRP 51 80.097 2.885 8.027 370 HE3 TRP 51 HE3 TRP 51 76.468 3.479 11.857 371 HZ2 TRP 51 HZ2 TRP 51 81.183 2.500 10.636 372 HZ3 TRP 51 HZ3 TRP 51 78.141 3.005 13.623 373 HH2 TRP 51 HH2 TRP 51 80.495 2.515 13.019 374 H THR 52 HN THR 52 74.029 5.534 6.625 375 HA THR 52 HA THR 52 71.507 5.877 8.150 376 HB THR 52 HB THR 52 72.295 7.212 5.546 377 HG1 THR 52 HG1 THR 52 72.222 7.989 8.225 378 HG21 THR 52 HG21 THR 52 69.979 6.882 5.384 379 HG22 THR 52 HG22 THR 52 70.091 8.478 6.124 380 HG23 THR 52 HG23 THR 52 69.731 7.069 7.120 381 H VAL 53 HN VAL 53 70.051 4.343 7.701 382 HA VAL 53 HA VAL 53 70.269 2.871 5.132 383 HB VAL 53 HB VAL 53 71.040 1.366 6.871 384 HG11 VAL 53 HG11 VAL 53 69.907 2.736 8.731 385 HG12 VAL 53 HG12 VAL 53 69.902 0.984 8.923 386 HG13 VAL 53 HG13 VAL 53 68.450 1.813 8.365 387 HG21 VAL 53 HG21 VAL 53 69.466 -0.425 6.611 388 HG22 VAL 53 HG22 VAL 53 69.355 0.545 5.144 389 HG23 VAL 53 HG23 VAL 53 68.122 0.697 6.395 390 H THR 54 HN THR 54 68.444 2.850 3.990 391 HA THR 54 HA THR 54 65.860 3.275 5.335 392 HB THR 54 HB THR 54 65.278 5.059 3.846 393 HG1 THR 54 HG1 THR 54 66.256 4.969 1.993 394 HG21 THR 54 HG21 THR 54 68.051 5.625 4.897 395 HG22 THR 54 HG22 THR 54 66.623 5.547 5.926 396 HG23 THR 54 HG23 THR 54 66.740 6.784 4.675 397 H ALA 55 HN ALA 55 64.054 2.596 4.114 398 HA ALA 55 HA ALA 55 64.671 1.036 1.662 399 HB1 ALA 55 HB1 ALA 55 62.615 0.135 3.673 400 HB2 ALA 55 HB2 ALA 55 64.308 -0.328 3.838 401 HB3 ALA 55 HB3 ALA 55 63.405 -0.795 2.398 402 H ASP 56 HN ASP 56 63.833 2.445 0.218 403 HA ASP 56 HA ASP 56 61.066 3.416 0.602 404 HB2 ASP 56 HB2 ASP 56 62.977 5.000 0.015 405 HB3 ASP 56 HB1 ASP 56 63.010 4.224 -1.566 406 H GLY 57 HN GLY 57 59.833 1.660 0.025 407 HA2 GLY 57 HA2 GLY 57 58.721 0.232 -1.391 408 HA3 GLY 57 HA1 GLY 57 59.344 1.211 -2.716 409 H SER 58 HN SER 58 60.279 -0.083 -4.160 410 HA SER 58 HA SER 58 61.668 -2.524 -3.321 411 HB2 SER 58 HB2 SER 58 61.300 -1.587 -6.156 412 HB3 SER 58 HB1 SER 58 61.459 -3.233 -5.548 413 HG SER 58 HG SER 58 59.273 -2.569 -6.083 414 H HIS 59 HN HIS 59 62.985 -0.180 -2.536 415 HA HIS 59 HA HIS 59 65.518 -0.469 -3.984 416 HB2 HIS 59 HB2 HIS 59 64.314 1.423 -5.083 417 HB3 HIS 59 HB1 HIS 59 64.228 2.236 -3.521 418 HD1 HIS 59 HD1 HIS 59 66.629 2.783 -2.383 419 HD2 HIS 59 HD2 HIS 59 66.705 1.849 -6.444 420 HE1 HIS 59 HE1 HIS 59 68.852 3.610 -3.267 421 H HIS 60 HN HIS 60 67.258 -0.366 -2.602 422 HA HIS 60 HA HIS 60 66.753 0.654 0.157 423 HB2 HIS 60 HB2 HIS 60 68.313 -1.770 -0.757 424 HB3 HIS 60 HB1 HIS 60 68.524 -1.052 0.839 425 HD1 HIS 60 HD1 HIS 60 65.848 -2.675 -1.316 426 HD2 HIS 60 HD2 HIS 60 66.524 -1.692 2.680 427 HE1 HIS 60 HE1 HIS 60 63.960 -3.723 0.012 428 H ALA 61 HN ALA 61 68.298 1.984 1.049 429 HA ALA 61 HA ALA 61 70.744 2.474 -0.551 430 HB1 ALA 61 HB1 ALA 61 68.895 4.185 -0.952 431 HB2 ALA 61 HB2 ALA 61 70.454 4.826 -0.435 432 HB3 ALA 61 HB3 ALA 61 69.130 4.683 0.723 433 H LEU 62 HN LEU 62 72.530 2.538 0.582 434 HA LEU 62 HA LEU 62 72.488 3.164 3.457 435 HB2 LEU 62 HB2 LEU 62 72.566 0.724 3.338 436 HB3 LEU 62 HB1 LEU 62 73.893 0.801 2.180 437 HG LEU 62 HG LEU 62 75.358 1.816 3.857 438 HD11 LEU 62 HD11 LEU 62 74.016 3.177 5.213 439 HD12 LEU 62 HD12 LEU 62 74.360 1.827 6.290 440 HD13 LEU 62 HD13 LEU 62 72.807 1.919 5.456 441 HD21 LEU 62 HD21 LEU 62 73.856 -0.606 4.890 442 HD22 LEU 62 HD22 LEU 62 75.418 -0.062 5.502 443 HD23 LEU 62 HD23 LEU 62 75.269 -0.618 3.835 444 H LEU 63 HN LEU 63 73.915 4.806 3.840 445 HA LEU 63 HA LEU 63 76.377 4.885 2.178 446 HB2 LEU 63 HB2 LEU 63 76.117 7.335 1.856 447 HB3 LEU 63 HB1 LEU 63 74.889 6.372 1.021 448 HG LEU 63 HG LEU 63 73.630 6.790 3.439 449 HD11 LEU 63 HD11 LEU 63 74.798 9.510 2.918 450 HD12 LEU 63 HD12 LEU 63 75.717 8.376 3.900 451 HD13 LEU 63 HD13 LEU 63 74.096 8.849 4.394 452 HD21 LEU 63 HD21 LEU 63 73.583 8.694 1.071 453 HD22 LEU 63 HD22 LEU 63 72.309 8.507 2.276 454 HD23 LEU 63 HD23 LEU 63 72.685 7.180 1.176 455 H LEU 64 HN LEU 64 78.136 5.583 3.067 456 HA LEU 64 HA LEU 64 78.093 6.539 5.871 457 HB2 LEU 64 HB2 LEU 64 79.406 4.475 5.545 458 HB3 LEU 64 HB1 LEU 64 80.294 5.232 4.228 459 HG LEU 64 HG LEU 64 81.253 6.872 5.764 460 HD11 LEU 64 HD11 LEU 64 79.645 7.279 7.431 461 HD12 LEU 64 HD12 LEU 64 80.860 6.340 8.297 462 HD13 LEU 64 HD13 LEU 64 79.381 5.562 7.732 463 HD21 LEU 64 HD21 LEU 64 81.453 3.968 6.598 464 HD22 LEU 64 HD22 LEU 64 82.509 5.219 7.255 465 HD23 LEU 64 HD23 LEU 64 82.531 4.862 5.527 466 H ARG 65 HN ARG 65 78.413 8.733 6.010 467 HA ARG 65 HA ARG 65 78.994 10.263 3.728 468 HB2 ARG 65 HB2 ARG 65 79.106 10.952 6.677 469 HB3 ARG 65 HB1 ARG 65 79.308 12.141 5.388 470 HG2 ARG 65 HG2 ARG 65 77.097 11.544 4.482 471 HG3 ARG 65 HG1 ARG 65 76.895 10.346 5.760 472 HD2 ARG 65 HD2 ARG 65 77.097 12.155 7.453 473 HD3 ARG 65 HD1 ARG 65 77.216 13.335 6.149 474 HE ARG 65 HE ARG 65 74.812 11.899 6.988 475 HH11 ARG 65 HH21 ARG 65 76.112 14.632 5.486 476 HH12 ARG 65 HH22 ARG 65 74.769 14.903 4.425 477 HH21 ARG 65 HH11 ARG 65 73.174 11.938 5.263 478 HH22 ARG 65 HH12 ARG 65 73.108 13.368 4.291 479 H SER 66 HN SER 66 80.977 11.183 6.395 480 HA SER 66 HA SER 66 83.342 11.052 4.725 481 HB2 SER 66 HB2 SER 66 84.439 12.247 6.527 482 HB3 SER 66 HB1 SER 66 82.883 12.999 6.189 483 HG SER 66 HG SER 66 83.772 11.636 8.415 484 H ALA 67 HN ALA 67 84.032 8.982 4.472 485 HA ALA 67 HA ALA 67 84.074 6.997 6.489 486 HB1 ALA 67 HB1 ALA 67 85.861 5.984 4.883 487 HB2 ALA 67 HB2 ALA 67 85.455 7.349 3.845 488 HB3 ALA 67 HB3 ALA 67 84.211 6.184 4.290 489 H GLN 68 HN GLN 68 85.656 6.356 7.901 490 HA GLN 68 HA GLN 68 88.137 7.966 8.034 491 HB2 GLN 68 HB2 GLN 68 86.204 7.280 10.245 492 HB3 GLN 68 HB1 GLN 68 87.887 7.693 10.582 493 HG2 GLN 68 HG2 GLN 68 87.627 9.848 9.483 494 HG3 GLN 68 HG1 GLN 68 85.986 9.435 8.988 495 HE21 GLN 68 HE21 GLN 68 85.903 11.672 10.379 496 HE22 GLN 68 HE22 GLN 68 85.486 11.438 12.009 497 HA PRO 69 HA PRO 69 90.036 3.937 8.004 498 HB2 PRO 69 HB2 PRO 69 92.244 4.682 9.727 499 HB3 PRO 69 HB1 PRO 69 92.247 4.495 7.969 500 HG2 PRO 69 HG2 PRO 69 92.275 6.930 9.522 501 HG3 PRO 69 HG1 PRO 69 92.446 6.729 7.776 502 HD2 PRO 69 HD2 PRO 69 90.199 7.813 9.143 503 HD3 PRO 69 HD1 PRO 69 90.291 7.394 7.421 504 H HIS 70 HN HIS 70 88.297 3.036 9.273 505 HA HIS 70 HA HIS 70 89.121 1.858 11.720 506 HB2 HIS 70 HB2 HIS 70 88.717 4.082 12.657 507 HB3 HIS 70 HB1 HIS 70 87.103 4.106 11.948 508 HD1 HIS 70 HD1 HIS 70 89.135 2.135 14.488 509 HD2 HIS 70 HD2 HIS 70 85.152 2.881 13.510 510 HE1 HIS 70 HE1 HIS 70 87.736 1.083 16.320 511 H HIS 71 HN HIS 71 86.262 3.016 9.967 512 HA HIS 71 HA HIS 71 84.640 0.771 10.732 513 HB2 HIS 71 HB2 HIS 71 83.029 1.734 9.099 514 HB3 HIS 71 HB1 HIS 71 83.594 2.907 10.292 515 HD1 HIS 71 HD1 HIS 71 84.343 1.808 6.726 516 HD2 HIS 71 HD2 HIS 71 84.830 5.136 9.190 517 HE1 HIS 71 HE1 HIS 71 85.273 3.652 5.263 518 H ALA 72 HN ALA 72 87.190 0.926 8.631 519 HA ALA 72 HA ALA 72 86.359 -0.245 6.263 520 HB1 ALA 72 HB1 ALA 72 88.683 0.447 6.673 521 HB2 ALA 72 HB2 ALA 72 88.612 -1.228 6.124 522 HB3 ALA 72 HB3 ALA 72 88.875 -0.870 7.832 523 H GLY 73 HN GLY 73 86.042 -2.366 5.568 524 HA2 GLY 73 HA2 GLY 73 86.411 -4.722 6.958 525 HA3 GLY 73 HA1 GLY 73 84.851 -4.117 7.504 526 H GLU 74 HN GLU 74 83.675 -5.794 6.556 527 HA GLU 74 HA GLU 74 83.657 -5.853 3.583 528 HB2 GLU 74 HB2 GLU 74 82.899 -8.019 5.563 529 HB3 GLU 74 HB1 GLU 74 82.714 -8.136 3.815 530 HG2 GLU 74 HG2 GLU 74 84.782 -9.184 4.168 531 HG3 GLU 74 HG1 GLU 74 85.263 -7.544 3.742 532 H VAL 75 HN VAL 75 81.594 -6.111 2.561 533 HA VAL 75 HA VAL 75 79.326 -5.062 4.174 534 HB VAL 75 HB VAL 75 79.979 -4.666 1.255 535 HG11 VAL 75 HG11 VAL 75 78.091 -2.955 1.468 536 HG12 VAL 75 HG12 VAL 75 77.680 -3.745 2.989 537 HG13 VAL 75 HG13 VAL 75 77.600 -4.648 1.479 538 HG21 VAL 75 HG21 VAL 75 80.269 -2.281 1.989 539 HG22 VAL 75 HG22 VAL 75 81.474 -3.393 2.638 540 HG23 VAL 75 HG23 VAL 75 80.146 -2.840 3.659 541 H THR 76 HN THR 76 77.836 -6.573 4.494 542 HA THR 76 HA THR 76 77.255 -8.533 2.339 543 HB THR 76 HB THR 76 77.114 -8.971 5.333 544 HG1 THR 76 HG1 THR 76 79.173 -8.974 3.788 545 HG21 THR 76 HG21 THR 76 76.691 -11.326 4.678 546 HG22 THR 76 HG22 THR 76 76.650 -10.834 2.985 547 HG23 THR 76 HG23 THR 76 75.417 -10.254 4.102 548 H PHE 77 HN PHE 77 75.238 -8.641 1.670 549 HA PHE 77 HA PHE 77 73.033 -7.584 3.331 550 HB2 PHE 77 HB2 PHE 77 73.447 -5.761 1.871 551 HB3 PHE 77 HB1 PHE 77 73.717 -6.818 0.489 552 HD1 PHE 77 HD1 PHE 77 71.818 -7.905 -0.647 553 HD2 PHE 77 HD2 PHE 77 71.229 -5.211 2.640 554 HE1 PHE 77 HE1 PHE 77 69.417 -7.712 -1.239 555 HE2 PHE 77 HE2 PHE 77 68.827 -5.021 2.057 556 HZ PHE 77 HZ PHE 77 67.919 -6.269 0.113 557 H ALA 78 HN ALA 78 71.337 -8.927 3.376 558 HA ALA 78 HA ALA 78 71.060 -10.947 1.205 559 HB1 ALA 78 HB1 ALA 78 72.154 -11.990 3.192 560 HB2 ALA 78 HB2 ALA 78 70.573 -12.682 2.831 561 HB3 ALA 78 HB3 ALA 78 70.751 -11.537 4.161 562 H CYS 79 HN CYS 79 68.942 -11.672 0.826 563 HA CYS 79 HA CYS 79 66.746 -10.528 2.360 564 HB2 CYS 79 HB2 CYS 79 67.517 -8.819 0.590 565 HB3 CYS 79 HB1 CYS 79 66.843 -9.939 -0.594 566 HG CYS 79 HG CYS 79 64.784 -8.595 -0.029 567 H ARG 80 HN ARG 80 65.029 -10.928 -0.102 568 HA ARG 80 HA ARG 80 64.072 -13.471 0.451 569 HB2 ARG 80 HB2 ARG 80 63.934 -11.973 -2.178 570 HB3 ARG 80 HB1 ARG 80 62.901 -13.322 -1.720 571 HG2 ARG 80 HG2 ARG 80 63.065 -10.887 0.057 572 HG3 ARG 80 HG1 ARG 80 62.039 -10.859 -1.373 573 HD2 ARG 80 HD2 ARG 80 61.875 -12.960 0.813 574 HD3 ARG 80 HD1 ARG 80 60.812 -11.569 0.679 575 HE ARG 80 HE ARG 80 60.726 -12.900 -1.776 576 HH11 ARG 80 HH11 ARG 80 60.101 -13.608 1.548 577 HH12 ARG 80 HH12 ARG 80 58.757 -14.648 1.218 578 HH21 ARG 80 HH21 ARG 80 58.899 -14.187 -2.213 579 HH22 ARG 80 HH22 ARG 80 58.072 -14.972 -0.911 580 H ASP 81 HN ASP 81 65.816 -14.886 0.651 581 HA ASP 81 HA ASP 81 67.500 -16.310 -0.026 582 HB2 ASP 81 HB2 ASP 81 66.820 -17.792 -1.816 583 HB3 ASP 81 HB1 ASP 81 65.415 -17.395 -0.831 584 H ALA 82 HN ALA 82 67.522 -13.433 -1.117 585 HA ALA 82 HA ALA 82 69.218 -13.841 -3.504 586 HB1 ALA 82 HB1 ALA 82 67.271 -12.156 -3.456 587 HB2 ALA 82 HB2 ALA 82 68.833 -11.573 -4.038 588 HB3 ALA 82 HB3 ALA 82 68.300 -11.186 -2.403 589 H VAL 83 HN VAL 83 71.049 -14.626 -2.341 590 HA VAL 83 HA VAL 83 72.275 -12.946 -0.316 591 HB VAL 83 HB VAL 83 72.450 -15.400 -0.176 592 HG11 VAL 83 HG11 VAL 83 74.258 -15.254 -2.596 593 HG12 VAL 83 HG12 VAL 83 72.547 -15.659 -2.726 594 HG13 VAL 83 HG13 VAL 83 73.628 -16.692 -1.791 595 HG21 VAL 83 HG21 VAL 83 74.769 -15.470 0.401 596 HG22 VAL 83 HG22 VAL 83 74.270 -13.798 0.655 597 HG23 VAL 83 HG23 VAL 83 75.174 -14.236 -0.795 598 H ALA 84 HN ALA 84 73.680 -11.359 -0.690 599 HA ALA 84 HA ALA 84 75.238 -11.318 -3.197 600 HB1 ALA 84 HB1 ALA 84 74.634 -8.973 -3.580 601 HB2 ALA 84 HB2 ALA 84 73.578 -9.004 -2.162 602 HB3 ALA 84 HB3 ALA 84 73.187 -9.983 -3.575 603 H SER 85 HN SER 85 77.306 -10.791 -2.821 604 HA SER 85 HA SER 85 78.058 -9.854 -0.151 605 HB2 SER 85 HB2 SER 85 80.396 -10.340 -1.055 606 HB3 SER 85 HB1 SER 85 79.320 -11.719 -0.856 607 HG SER 85 HG SER 85 79.266 -10.355 -3.289 608 H ALA 86 HN ALA 86 80.279 -8.569 -0.423 609 HA ALA 86 HA ALA 86 80.671 -6.631 -2.349 610 HB1 ALA 86 HB1 ALA 86 78.607 -5.569 -1.996 611 HB2 ALA 86 HB2 ALA 86 79.720 -4.615 -1.022 612 HB3 ALA 86 HB3 ALA 86 78.671 -5.810 -0.251 613 H ARG 87 HN ARG 87 82.013 -4.696 -1.356 614 HA ARG 87 HA ARG 87 83.325 -5.463 1.165 615 HB2 ARG 87 HB2 ARG 87 84.729 -5.296 -1.504 616 HB3 ARG 87 HB1 ARG 87 85.580 -5.206 0.038 617 HG2 ARG 87 HG2 ARG 87 84.699 -7.417 0.671 618 HG3 ARG 87 HG1 ARG 87 83.816 -7.511 -0.854 619 HD2 ARG 87 HD2 ARG 87 85.918 -7.393 -2.109 620 HD3 ARG 87 HD1 ARG 87 86.822 -7.239 -0.607 621 HE ARG 87 HE ARG 87 86.475 -9.531 -0.195 622 HH11 ARG 87 HH21 ARG 87 85.934 -8.777 -3.415 623 HH12 ARG 87 HH22 ARG 87 85.030 -10.204 -3.795 624 HH21 ARG 87 HH11 ARG 87 84.801 -11.260 -0.503 625 HH22 ARG 87 HH12 ARG 87 84.390 -11.609 -2.148 626 H LEU 88 HN LEU 88 84.111 -3.792 2.313 627 HA LEU 88 HA LEU 88 84.093 -1.096 1.076 628 HB2 LEU 88 HB2 LEU 88 82.296 -1.261 2.705 629 HB3 LEU 88 HB1 LEU 88 83.401 -1.908 3.915 630 HG LEU 88 HG LEU 88 84.638 0.204 3.960 631 HD11 LEU 88 HD11 LEU 88 84.565 1.073 1.775 632 HD12 LEU 88 HD12 LEU 88 83.477 2.154 2.643 633 HD13 LEU 88 HD13 LEU 88 82.819 0.860 1.642 634 HD21 LEU 88 HD21 LEU 88 82.438 -0.141 5.260 635 HD22 LEU 88 HD22 LEU 88 81.697 0.904 4.047 636 HD23 LEU 88 HD23 LEU 88 82.995 1.521 5.067 637 H THR 89 HN THR 89 85.986 -0.039 1.103 638 HA THR 89 HA THR 89 88.002 -0.737 3.125 639 HB THR 89 HB THR 89 88.540 -2.133 1.187 640 HG1 THR 89 HG1 THR 89 90.483 -1.636 1.761 641 HG21 THR 89 HG21 THR 89 87.398 -0.694 -0.498 642 HG22 THR 89 HG22 THR 89 89.045 -1.112 -0.975 643 HG23 THR 89 HG23 THR 89 88.695 0.489 -0.325 644 H VAL 90 HN VAL 90 89.585 0.838 3.471 645 HA VAL 90 HA VAL 90 88.746 3.537 2.592 646 HB VAL 90 HB VAL 90 88.766 2.918 5.067 647 HG11 VAL 90 HG11 VAL 90 91.750 3.325 4.912 648 HG12 VAL 90 HG12 VAL 90 91.067 1.707 4.741 649 HG13 VAL 90 HG13 VAL 90 90.789 2.631 6.217 650 HG21 VAL 90 HG21 VAL 90 90.016 5.090 5.654 651 HG22 VAL 90 HG22 VAL 90 88.674 5.225 4.517 652 HG23 VAL 90 HG23 VAL 90 90.334 5.231 3.925 653 H LEU 91 HN LEU 91 89.927 4.361 1.019 654 HA LEU 91 HA LEU 91 92.537 3.337 0.349 655 HB2 LEU 91 HB2 LEU 91 90.960 4.023 -1.398 656 HB3 LEU 91 HB1 LEU 91 90.945 5.665 -0.763 657 HG LEU 91 HG LEU 91 93.344 5.900 -1.273 658 HD11 LEU 91 HD11 LEU 91 93.042 3.002 -2.049 659 HD12 LEU 91 HD12 LEU 91 94.307 3.770 -1.088 660 HD13 LEU 91 HD13 LEU 91 94.268 4.001 -2.834 661 HD21 LEU 91 HD21 LEU 91 91.722 4.844 -3.611 662 HD22 LEU 91 HD22 LEU 91 93.144 5.880 -3.734 663 HD23 LEU 91 HD23 LEU 91 91.668 6.493 -2.989 664 H GLY 92 HN GLY 92 94.439 4.072 1.074 665 HA2 GLY 92 HA2 GLY 92 94.609 6.839 2.134 666 HA3 GLY 92 HA1 GLY 92 95.243 5.478 3.058 667 H LEU 93 HN LEU 93 95.658 4.786 -0.159 668 HA LEU 93 HA LEU 93 98.488 5.622 -0.085 669 HB2 LEU 93 HB2 LEU 93 97.066 3.589 -1.805 670 HB3 LEU 93 HB1 LEU 93 98.795 3.932 -1.850 671 HG LEU 93 HG LEU 93 97.509 3.188 0.780 672 HD11 LEU 93 HD11 LEU 93 98.196 0.790 0.219 673 HD12 LEU 93 HD12 LEU 93 98.269 1.309 -1.466 674 HD13 LEU 93 HD13 LEU 93 96.744 1.387 -0.586 675 HD21 LEU 93 HD21 LEU 93 100.248 2.706 -0.443 676 HD22 LEU 93 HD22 LEU 93 99.763 2.262 1.196 677 HD23 LEU 93 HD23 LEU 93 99.861 3.958 0.735 678 HA PRO 94 HA PRO 94 96.864 8.512 -3.234 679 HB2 PRO 94 HB2 PRO 94 99.374 9.957 -3.238 680 HB3 PRO 94 HB1 PRO 94 97.817 10.474 -2.574 681 HG2 PRO 94 HG2 PRO 94 100.118 9.770 -1.110 682 HG3 PRO 94 HG1 PRO 94 98.494 10.048 -0.468 683 HD2 PRO 94 HD2 PRO 94 99.914 7.490 -0.867 684 HD3 PRO 94 HD1 PRO 94 98.489 7.850 0.132 685 H ASP 95 HN ASP 95 99.556 6.414 -3.215 686 HA ASP 95 HA ASP 95 100.593 6.963 -5.815 687 HB2 ASP 95 HB2 ASP 95 101.773 5.651 -3.996 688 HB3 ASP 95 HB1 ASP 95 100.700 4.306 -4.383 689 H GLY 96 HN GLY 96 99.693 6.580 -7.707 690 HA2 GLY 96 HA2 GLY 96 98.140 4.175 -8.199 691 HA3 GLY 96 HA1 GLY 96 97.232 5.681 -8.321 692 H LEU 97 HN LEU 97 99.932 3.849 -9.637 693 HA LEU 97 HA LEU 97 100.340 5.708 -11.840 694 HB2 LEU 97 HB2 LEU 97 101.502 2.954 -11.349 695 HB3 LEU 97 HB1 LEU 97 102.037 4.094 -12.578 696 HG LEU 97 HG LEU 97 102.096 4.603 -9.586 697 HD11 LEU 97 HD11 LEU 97 104.418 4.146 -11.480 698 HD12 LEU 97 HD12 LEU 97 103.723 2.874 -10.476 699 HD13 LEU 97 HD13 LEU 97 104.479 4.277 -9.722 700 HD21 LEU 97 HD21 LEU 97 103.690 6.494 -10.508 701 HD22 LEU 97 HD22 LEU 97 101.948 6.738 -10.547 702 HD23 LEU 97 HD23 LEU 97 102.802 6.252 -12.012 703 H GLU 98 HN GLU 98 98.005 3.543 -11.149 704 HA GLU 98 HA GLU 98 97.772 2.057 -13.569 705 HB2 GLU 98 HB2 GLU 98 95.434 1.639 -12.779 706 HB3 GLU 98 HB1 GLU 98 96.671 1.255 -11.582 707 HG2 GLU 98 HG2 GLU 98 96.308 3.447 -10.504 708 HG3 GLU 98 HG1 GLU 98 95.062 3.821 -11.695 709 H HIS 99 HN HIS 99 96.535 5.205 -12.515 710 HA HIS 99 HA HIS 99 95.583 5.676 -15.290 711 HB2 HIS 99 HB2 HIS 99 94.175 6.376 -12.710 712 HB3 HIS 99 HB1 HIS 99 93.768 7.105 -14.261 713 HD1 HIS 99 HD1 HIS 99 93.611 4.965 -16.221 714 HD2 HIS 99 HD2 HIS 99 92.479 4.258 -12.273 715 HE1 HIS 99 HE1 HIS 99 92.088 2.941 -16.264 716 H HIS 100 HN HIS 100 97.112 6.998 -16.035 717 HA HIS 100 HA HIS 100 97.280 9.672 -14.944 718 HB2 HIS 100 HB2 HIS 100 99.518 7.703 -14.678 719 HB3 HIS 100 HB1 HIS 100 99.952 9.349 -15.127 720 HD1 HIS 100 HD1 HIS 100 98.127 7.455 -12.369 721 HD2 HIS 100 HD2 HIS 100 99.885 11.179 -13.030 722 HE1 HIS 100 HE1 HIS 100 98.128 8.663 -10.135 723 H HIS 101 HN HIS 101 98.749 11.039 -16.368 724 HA HIS 101 HA HIS 101 99.146 11.913 -18.456 725 HB2 HIS 101 HB2 HIS 101 100.843 10.120 -18.507 726 HB3 HIS 101 HB1 HIS 101 99.639 9.013 -19.172 727 HD1 HIS 101 HD1 HIS 101 101.107 12.435 -20.028 728 HD2 HIS 101 HD2 HIS 101 99.549 9.070 -21.929 729 HE1 HIS 101 HE1 HIS 101 101.360 12.838 -22.515 730 H HIS 102 HN HIS 102 96.482 10.142 -17.797 731 HA HIS 102 HA HIS 102 95.393 9.528 -20.325 732 HB2 HIS 102 HB2 HIS 102 94.056 10.218 -17.702 733 HB3 HIS 102 HB1 HIS 102 93.176 9.687 -19.136 734 HD1 HIS 102 HD1 HIS 102 96.130 7.891 -19.497 735 HD2 HIS 102 HD2 HIS 102 92.957 7.515 -16.822 736 HE1 HIS 102 HE1 HIS 102 96.224 5.522 -18.603 737 H HIS 103 HN HIS 103 93.642 11.920 -18.464 738 HA HIS 103 HA HIS 103 93.027 13.454 -20.774 739 HB2 HIS 103 HB2 HIS 103 92.708 14.071 -17.830 740 HB3 HIS 103 HB1 HIS 103 92.078 15.089 -19.124 741 HD1 HIS 103 HD1 HIS 103 90.539 13.606 -20.947 742 HD2 HIS 103 HD2 HIS 103 90.872 12.172 -17.047 743 HE1 HIS 103 HE1 HIS 103 88.606 12.002 -20.604 744 H HIS 104 HN HIS 104 95.282 13.994 -18.070 745 HA HIS 104 HA HIS 104 96.329 16.409 -19.399 746 HB2 HIS 104 HB2 HIS 104 97.611 16.702 -17.286 747 HB3 HIS 104 HB1 HIS 104 95.868 16.624 -17.021 748 HD1 HIS 104 HD1 HIS 104 99.012 15.036 -16.043 749 HD2 HIS 104 HD2 HIS 104 94.995 13.926 -16.125 750 HE1 HIS 104 HE1 HIS 104 98.805 12.994 -14.560 Start of MODEL 15 1 H1 TRP 1 HT1 TRP 1 54.512 -11.663 -9.785 2 H2 TRP 1 HT2 TRP 1 55.721 -12.595 -10.533 3 H3 TRP 1 HT3 TRP 1 54.960 -11.341 -11.389 4 HA TRP 1 HA TRP 1 56.699 -10.095 -10.805 5 HB2 TRP 1 HB2 TRP 1 55.581 -10.317 -8.000 6 HB3 TRP 1 HB1 TRP 1 56.378 -8.927 -8.741 7 HD1 TRP 1 HD1 TRP 1 54.851 -8.857 -11.493 8 HE1 TRP 1 HE1 TRP 1 52.376 -8.155 -11.578 9 HE3 TRP 1 HE3 TRP 1 53.507 -9.748 -6.645 10 HZ2 TRP 1 HZ2 TRP 1 50.121 -7.988 -9.828 11 HZ3 TRP 1 HZ3 TRP 1 51.189 -9.310 -5.882 12 HH2 TRP 1 HH2 TRP 1 49.495 -8.432 -7.466 13 H ARG 2 HN ARG 2 58.667 -10.970 -10.938 14 HA ARG 2 HA ARG 2 59.514 -13.019 -9.006 15 HB2 ARG 2 HB2 ARG 2 60.767 -12.008 -11.575 16 HB3 ARG 2 HB1 ARG 2 61.430 -13.297 -10.568 17 HG2 ARG 2 HG2 ARG 2 59.404 -14.629 -10.877 18 HG3 ARG 2 HG1 ARG 2 58.664 -13.328 -11.808 19 HD2 ARG 2 HD2 ARG 2 60.470 -13.536 -13.503 20 HD3 ARG 2 HD1 ARG 2 61.163 -14.868 -12.584 21 HE ARG 2 HE ARG 2 58.530 -15.582 -13.035 22 HH11 ARG 2 HH21 ARG 2 60.809 -17.190 -14.127 23 HH12 ARG 2 HH22 ARG 2 60.558 -17.085 -15.837 24 HH21 ARG 2 HH11 ARG 2 58.387 -14.389 -15.624 25 HH22 ARG 2 HH12 ARG 2 59.188 -15.498 -16.685 26 H LEU 3 HN LEU 3 60.964 -12.670 -7.465 27 HA LEU 3 HA LEU 3 61.775 -10.032 -6.765 28 HB2 LEU 3 HB2 LEU 3 62.749 -10.996 -4.845 29 HB3 LEU 3 HB1 LEU 3 61.329 -11.981 -5.184 30 HG LEU 3 HG LEU 3 64.228 -12.660 -5.781 31 HD11 LEU 3 HD11 LEU 3 63.202 -13.010 -3.464 32 HD12 LEU 3 HD12 LEU 3 63.936 -14.420 -4.226 33 HD13 LEU 3 HD13 LEU 3 62.182 -14.234 -4.217 34 HD21 LEU 3 HD21 LEU 3 63.286 -14.820 -6.664 35 HD22 LEU 3 HD22 LEU 3 62.941 -13.432 -7.689 36 HD23 LEU 3 HD23 LEU 3 61.688 -14.083 -6.629 37 H GLU 4 HN GLU 4 62.775 -11.262 -9.361 38 HA GLU 4 HA GLU 4 65.506 -11.789 -9.247 39 HB2 GLU 4 HB2 GLU 4 65.542 -11.048 -11.629 40 HB3 GLU 4 HB1 GLU 4 64.249 -12.192 -11.265 41 HG2 GLU 4 HG2 GLU 4 62.632 -10.382 -11.098 42 HG3 GLU 4 HG1 GLU 4 63.906 -9.182 -11.315 43 H ILE 5 HN ILE 5 67.323 -10.601 -9.380 44 HA ILE 5 HA ILE 5 67.235 -7.882 -8.397 45 HB ILE 5 HB ILE 5 69.568 -9.681 -9.109 46 HG12 ILE 5 HG12 ILE 5 68.468 -8.888 -6.397 47 HG13 ILE 5 HG11 ILE 5 68.053 -10.397 -7.206 48 HG21 ILE 5 HG21 ILE 5 70.806 -8.006 -7.645 49 HG22 ILE 5 HG22 ILE 5 69.386 -6.970 -7.772 50 HG23 ILE 5 HG23 ILE 5 70.297 -7.392 -9.219 51 HD11 ILE 5 HD11 ILE 5 69.878 -10.848 -5.687 52 HD12 ILE 5 HD12 ILE 5 70.810 -9.497 -6.335 53 HD13 ILE 5 HD13 ILE 5 70.511 -10.921 -7.332 54 H LEU 6 HN LEU 6 67.239 -6.148 -9.646 55 HA LEU 6 HA LEU 6 67.772 -6.446 -12.525 56 HB2 LEU 6 HB2 LEU 6 66.319 -4.417 -10.855 57 HB3 LEU 6 HB1 LEU 6 66.839 -4.002 -12.485 58 HG LEU 6 HG LEU 6 65.666 -6.164 -13.234 59 HD11 LEU 6 HD11 LEU 6 64.545 -5.874 -10.438 60 HD12 LEU 6 HD12 LEU 6 65.413 -7.257 -11.101 61 HD13 LEU 6 HD13 LEU 6 63.806 -6.857 -11.701 62 HD21 LEU 6 HD21 LEU 6 64.714 -3.994 -13.731 63 HD22 LEU 6 HD22 LEU 6 64.121 -3.827 -12.078 64 HD23 LEU 6 HD23 LEU 6 63.411 -5.033 -13.152 65 H GLU 7 HN GLU 7 68.969 -4.517 -9.748 66 HA GLU 7 HA GLU 7 71.411 -4.015 -11.258 67 HB2 GLU 7 HB2 GLU 7 69.612 -1.788 -10.285 68 HB3 GLU 7 HB1 GLU 7 71.309 -1.557 -10.693 69 HG2 GLU 7 HG2 GLU 7 70.845 -2.408 -12.985 70 HG3 GLU 7 HG1 GLU 7 69.140 -2.550 -12.564 71 H LEU 8 HN LEU 8 73.141 -3.576 -9.996 72 HA LEU 8 HA LEU 8 72.917 -3.037 -7.164 73 HB2 LEU 8 HB2 LEU 8 73.859 -5.115 -6.364 74 HB3 LEU 8 HB1 LEU 8 72.410 -5.462 -7.302 75 HG LEU 8 HG LEU 8 74.295 -5.580 -9.292 76 HD11 LEU 8 HD11 LEU 8 76.361 -6.359 -8.614 77 HD12 LEU 8 HD12 LEU 8 75.744 -7.051 -7.113 78 HD13 LEU 8 HD13 LEU 8 76.003 -5.313 -7.244 79 HD21 LEU 8 HD21 LEU 8 72.656 -7.305 -8.966 80 HD22 LEU 8 HD22 LEU 8 73.369 -7.778 -7.424 81 HD23 LEU 8 HD23 LEU 8 74.238 -8.083 -8.927 82 H LEU 9 HN LEU 9 74.558 -1.729 -6.706 83 HA LEU 9 HA LEU 9 77.163 -2.135 -8.094 84 HB2 LEU 9 HB2 LEU 9 75.932 0.500 -7.301 85 HB3 LEU 9 HB1 LEU 9 77.492 0.261 -8.085 86 HG LEU 9 HG LEU 9 74.821 -0.558 -9.280 87 HD11 LEU 9 HD11 LEU 9 76.571 1.875 -9.670 88 HD12 LEU 9 HD12 LEU 9 74.846 1.814 -9.313 89 HD13 LEU 9 HD13 LEU 9 75.432 1.343 -10.908 90 HD21 LEU 9 HD21 LEU 9 77.693 -0.740 -10.194 91 HD22 LEU 9 HD22 LEU 9 76.402 -0.588 -11.386 92 HD23 LEU 9 HD23 LEU 9 76.423 -1.960 -10.282 93 H LYS 10 HN LYS 10 78.628 -2.749 -6.666 94 HA LYS 10 HA LYS 10 78.867 -1.296 -4.137 95 HB2 LYS 10 HB2 LYS 10 78.701 -4.308 -4.253 96 HB3 LYS 10 HB1 LYS 10 79.007 -3.323 -2.824 97 HG2 LYS 10 HG2 LYS 10 76.785 -2.241 -3.140 98 HG3 LYS 10 HG1 LYS 10 76.478 -3.326 -4.486 99 HD2 LYS 10 HD2 LYS 10 75.418 -4.393 -2.680 100 HD3 LYS 10 HD1 LYS 10 76.955 -5.240 -2.819 101 HE2 LYS 10 HE2 LYS 10 77.883 -4.032 -0.956 102 HE3 LYS 10 HE1 LYS 10 76.535 -2.896 -0.939 103 HZ1 LYS 10 HZ1 LYS 10 75.212 -5.149 -0.661 104 HZ2 LYS 10 HZ2 LYS 10 75.838 -4.293 0.666 105 HZ3 LYS 10 HZ3 LYS 10 76.678 -5.633 0.043 106 H ASN 11 HN ASN 11 80.733 -2.887 -2.957 107 HA ASN 11 HA ASN 11 83.004 -3.213 -2.833 108 HB2 ASN 11 HB2 ASN 11 82.294 -5.052 -4.376 109 HB3 ASN 11 HB1 ASN 11 82.751 -4.017 -5.727 110 HD21 ASN 11 HD21 ASN 11 83.941 -6.565 -4.111 111 HD22 ASN 11 HD22 ASN 11 85.599 -6.205 -4.123 112 H ALA 12 HN ALA 12 83.854 -1.221 -2.521 113 HA ALA 12 HA ALA 12 85.518 -0.169 -4.600 114 HB1 ALA 12 HB1 ALA 12 83.337 0.811 -5.274 115 HB2 ALA 12 HB2 ALA 12 84.507 2.041 -4.796 116 HB3 ALA 12 HB3 ALA 12 83.217 1.576 -3.689 117 H ALA 13 HN ALA 13 87.216 1.044 -3.720 118 HA ALA 13 HA ALA 13 87.173 1.358 -0.792 119 HB1 ALA 13 HB1 ALA 13 89.509 1.514 -2.711 120 HB2 ALA 13 HB2 ALA 13 88.999 0.034 -1.898 121 HB3 ALA 13 HB3 ALA 13 89.582 1.407 -0.951 122 H VAL 14 HN VAL 14 87.488 3.306 0.175 123 HA VAL 14 HA VAL 14 88.256 5.666 -1.355 124 HB VAL 14 HB VAL 14 86.159 6.880 -0.509 125 HG11 VAL 14 HG11 VAL 14 85.562 4.694 -2.514 126 HG12 VAL 14 HG12 VAL 14 86.599 6.067 -2.908 127 HG13 VAL 14 HG13 VAL 14 84.913 6.332 -2.467 128 HG21 VAL 14 HG21 VAL 14 84.188 5.439 -0.105 129 HG22 VAL 14 HG22 VAL 14 85.443 5.120 1.088 130 HG23 VAL 14 HG23 VAL 14 85.199 4.004 -0.253 131 H ARG 15 HN ARG 15 89.517 7.027 0.039 132 HA ARG 15 HA ARG 15 90.090 6.232 2.597 133 HB2 ARG 15 HB2 ARG 15 91.077 8.505 2.804 134 HB3 ARG 15 HB1 ARG 15 91.525 7.704 1.300 135 HG2 ARG 15 HG2 ARG 15 89.872 8.963 0.059 136 HG3 ARG 15 HG1 ARG 15 89.231 9.671 1.542 137 HD2 ARG 15 HD2 ARG 15 92.087 10.021 0.612 138 HD3 ARG 15 HD1 ARG 15 90.801 11.180 0.286 139 HE ARG 15 HE ARG 15 90.688 10.861 2.992 140 HH11 ARG 15 HH11 ARG 15 92.812 12.151 0.633 141 HH12 ARG 15 HH12 ARG 15 93.908 12.848 1.780 142 HH21 ARG 15 HH21 ARG 15 92.283 11.514 4.536 143 HH22 ARG 15 HH22 ARG 15 93.607 12.488 3.992 144 H ALA 16 HN ALA 16 90.059 8.210 4.275 145 HA ALA 16 HA ALA 16 87.384 8.272 5.331 146 HB1 ALA 16 HB1 ALA 16 89.743 9.843 6.362 147 HB2 ALA 16 HB2 ALA 16 89.598 8.108 6.635 148 HB3 ALA 16 HB3 ALA 16 88.372 9.203 7.268 149 H GLY 17 HN GLY 17 86.118 10.140 5.714 150 HA2 GLY 17 HA2 GLY 17 85.408 12.337 5.458 151 HA3 GLY 17 HA1 GLY 17 86.939 12.712 4.674 152 H ALA 18 HN ALA 18 85.970 10.001 3.199 153 HA ALA 18 HA ALA 18 84.833 11.485 0.921 154 HB1 ALA 18 HB1 ALA 18 86.758 9.999 0.502 155 HB2 ALA 18 HB2 ALA 18 85.322 9.489 -0.386 156 HB3 ALA 18 HB3 ALA 18 85.807 8.624 1.072 157 H GLN 19 HN GLN 19 82.919 11.006 -0.016 158 HA GLN 19 HA GLN 19 80.931 9.706 1.691 159 HB2 GLN 19 HB2 GLN 19 80.715 11.300 -0.871 160 HB3 GLN 19 HB1 GLN 19 79.331 10.576 -0.051 161 HG2 GLN 19 HG2 GLN 19 79.820 11.856 1.976 162 HG3 GLN 19 HG1 GLN 19 81.263 12.536 1.225 163 HE21 GLN 19 HE21 GLN 19 79.379 12.465 -1.373 164 HE22 GLN 19 HE22 GLN 19 78.549 13.938 -1.225 165 H ALA 20 HN ALA 20 79.677 7.937 1.105 166 HA ALA 20 HA ALA 20 80.441 6.492 -1.371 167 HB1 ALA 20 HB1 ALA 20 80.202 4.368 0.025 168 HB2 ALA 20 HB2 ALA 20 80.301 5.407 1.443 169 HB3 ALA 20 HB3 ALA 20 81.651 5.330 0.315 170 H CYS 21 HN CYS 21 78.787 5.262 -2.315 171 HA CYS 21 HA CYS 21 76.171 5.172 -1.019 172 HB2 CYS 21 HB2 CYS 21 75.069 6.279 -2.968 173 HB3 CYS 21 HB1 CYS 21 76.086 7.367 -2.023 174 HG CYS 21 HG CYS 21 77.927 6.479 -4.048 175 H PHE 22 HN PHE 22 75.322 3.292 -1.393 176 HA PHE 22 HA PHE 22 75.785 1.889 -3.972 177 HB2 PHE 22 HB2 PHE 22 75.455 0.606 -1.243 178 HB3 PHE 22 HB1 PHE 22 75.773 -0.213 -2.765 179 HD1 PHE 22 HD2 PHE 22 77.921 0.981 -4.074 180 HD2 PHE 22 HD1 PHE 22 77.304 0.742 0.172 181 HE1 PHE 22 HE2 PHE 22 80.361 1.218 -3.700 182 HE2 PHE 22 HE1 PHE 22 79.741 0.979 0.541 183 HZ PHE 22 HZ PHE 22 81.272 1.220 -1.392 184 H THR 23 HN THR 23 73.903 0.902 -4.839 185 HA THR 23 HA THR 23 71.443 1.013 -3.222 186 HB THR 23 HB THR 23 71.332 3.117 -4.345 187 HG1 THR 23 HG1 THR 23 69.532 1.495 -4.549 188 HG21 THR 23 HG21 THR 23 71.679 3.359 -6.756 189 HG22 THR 23 HG22 THR 23 71.979 1.629 -6.906 190 HG23 THR 23 HG23 THR 23 73.111 2.645 -6.015 191 H CYS 24 HN CYS 24 69.924 -0.517 -3.740 192 HA CYS 24 HA CYS 24 70.590 -2.364 -5.981 193 HB2 CYS 24 HB2 CYS 24 71.106 -3.125 -3.553 194 HB3 CYS 24 HB1 CYS 24 69.358 -3.320 -3.409 195 HG CYS 24 HG CYS 24 69.685 -5.481 -4.572 196 H THR 25 HN THR 25 69.052 -1.362 -7.298 197 HA THR 25 HA THR 25 66.287 -1.147 -6.513 198 HB THR 25 HB THR 25 67.609 -0.975 -9.228 199 HG1 THR 25 HG1 THR 25 67.309 0.680 -7.151 200 HG21 THR 25 HG21 THR 25 65.415 -1.532 -9.810 201 HG22 THR 25 HG22 THR 25 65.316 0.224 -9.700 202 HG23 THR 25 HG23 THR 25 64.730 -0.778 -8.371 203 H LEU 26 HN LEU 26 65.574 -3.131 -5.826 204 HA LEU 26 HA LEU 26 65.928 -5.511 -7.408 205 HB2 LEU 26 HB2 LEU 26 64.220 -5.062 -4.951 206 HB3 LEU 26 HB1 LEU 26 64.703 -6.616 -5.611 207 HG LEU 26 HG LEU 26 66.567 -4.517 -4.492 208 HD11 LEU 26 HD11 LEU 26 65.485 -5.582 -2.673 209 HD12 LEU 26 HD12 LEU 26 66.993 -6.474 -2.863 210 HD13 LEU 26 HD13 LEU 26 65.490 -7.151 -3.477 211 HD21 LEU 26 HD21 LEU 26 68.171 -6.601 -4.724 212 HD22 LEU 26 HD22 LEU 26 67.873 -5.577 -6.127 213 HD23 LEU 26 HD23 LEU 26 67.019 -7.111 -5.959 214 H SER 27 HN SER 27 63.565 -6.761 -6.850 215 HA SER 27 HA SER 27 61.603 -5.504 -8.685 216 HB2 SER 27 HB2 SER 27 62.587 -7.420 -9.796 217 HB3 SER 27 HB1 SER 27 62.305 -8.433 -8.387 218 HG SER 27 HG SER 27 60.664 -8.684 -9.959 219 H GLU 28 HN GLU 28 62.273 -6.938 -5.650 220 HA GLU 28 HA GLU 28 59.393 -6.937 -4.915 221 HB2 GLU 28 HB2 GLU 28 60.433 -9.206 -4.917 222 HB3 GLU 28 HB1 GLU 28 61.616 -8.634 -3.740 223 HG2 GLU 28 HG2 GLU 28 59.785 -8.096 -2.166 224 HG3 GLU 28 HG1 GLU 28 58.609 -8.675 -3.341 225 H ALA 29 HN ALA 29 58.866 -6.116 -2.858 226 HA ALA 29 HA ALA 29 60.847 -4.229 -1.754 227 HB1 ALA 29 HB1 ALA 29 58.868 -3.277 -0.562 228 HB2 ALA 29 HB2 ALA 29 57.850 -4.461 -1.384 229 HB3 ALA 29 HB3 ALA 29 58.708 -3.237 -2.318 230 H VAL 30 HN VAL 30 61.539 -4.342 0.343 231 HA VAL 30 HA VAL 30 60.740 -6.741 1.886 232 HB VAL 30 HB VAL 30 63.371 -5.270 1.954 233 HG11 VAL 30 HG11 VAL 30 62.972 -6.443 4.019 234 HG12 VAL 30 HG12 VAL 30 64.071 -7.440 3.066 235 HG13 VAL 30 HG13 VAL 30 62.361 -7.859 3.162 236 HG21 VAL 30 HG21 VAL 30 64.182 -7.301 0.710 237 HG22 VAL 30 HG22 VAL 30 63.074 -6.298 -0.227 238 HG23 VAL 30 HG23 VAL 30 62.501 -7.794 0.512 239 HA PRO 31 HA PRO 31 59.307 -3.612 4.809 240 HB2 PRO 31 HB2 PRO 31 59.238 -5.519 7.004 241 HB3 PRO 31 HB1 PRO 31 57.879 -4.821 6.117 242 HG2 PRO 31 HG2 PRO 31 58.858 -7.480 5.974 243 HG3 PRO 31 HG1 PRO 31 57.583 -6.744 4.994 244 HD2 PRO 31 HD2 PRO 31 60.297 -7.456 4.195 245 HD3 PRO 31 HD1 PRO 31 58.947 -6.887 3.188 246 H VAL 32 HN VAL 32 60.059 -4.114 7.668 247 HA VAL 32 HA VAL 32 62.924 -3.354 7.482 248 HB VAL 32 HB VAL 32 60.802 -2.483 9.466 249 HG11 VAL 32 HG11 VAL 32 63.769 -1.942 9.242 250 HG12 VAL 32 HG12 VAL 32 62.882 -2.570 10.631 251 HG13 VAL 32 HG13 VAL 32 62.684 -0.887 10.148 252 HG21 VAL 32 HG21 VAL 32 62.203 -1.099 7.164 253 HG22 VAL 32 HG22 VAL 32 61.331 -0.223 8.420 254 HG23 VAL 32 HG23 VAL 32 60.471 -1.349 7.371 255 H GLY 33 HN GLY 33 64.207 -4.810 8.300 256 HA2 GLY 33 HA2 GLY 33 64.938 -5.961 10.362 257 HA3 GLY 33 HA1 GLY 33 63.283 -6.535 10.539 258 H GLU 34 HN GLU 34 63.106 -6.971 7.547 259 HA GLU 34 HA GLU 34 64.253 -9.658 7.575 260 HB2 GLU 34 HB2 GLU 34 61.922 -9.259 6.805 261 HB3 GLU 34 HB1 GLU 34 62.558 -8.312 5.460 262 HG2 GLU 34 HG2 GLU 34 63.716 -10.228 4.561 263 HG3 GLU 34 HG1 GLU 34 63.356 -11.186 5.996 264 H ALA 35 HN ALA 35 65.161 -6.574 6.529 265 HA ALA 35 HA ALA 35 67.014 -7.653 4.475 266 HB1 ALA 35 HB1 ALA 35 65.390 -5.724 3.938 267 HB2 ALA 35 HB2 ALA 35 67.087 -5.496 3.519 268 HB3 ALA 35 HB3 ALA 35 66.427 -4.735 4.967 269 H SER 36 HN SER 36 69.081 -7.905 5.073 270 HA SER 36 HA SER 36 70.033 -6.669 7.559 271 HB2 SER 36 HB2 SER 36 71.051 -8.865 5.762 272 HB3 SER 36 HB1 SER 36 72.062 -8.166 7.023 273 HG SER 36 HG SER 36 69.450 -9.189 7.451 274 H TRP 37 HN TRP 37 71.702 -5.182 7.652 275 HA TRP 37 HA TRP 37 73.180 -4.487 5.229 276 HB2 TRP 37 HB2 TRP 37 71.272 -2.598 6.602 277 HB3 TRP 37 HB1 TRP 37 72.554 -2.058 5.524 278 HD1 TRP 37 HD1 TRP 37 69.159 -3.712 5.568 279 HE1 TRP 37 HE1 TRP 37 68.291 -3.918 3.149 280 HE3 TRP 37 HE3 TRP 37 73.375 -2.407 3.002 281 HZ2 TRP 37 HZ2 TRP 37 69.254 -3.562 0.483 282 HZ3 TRP 37 HZ3 TRP 37 73.373 -2.344 0.525 283 HH2 TRP 37 HH2 TRP 37 71.320 -2.925 -0.736 284 H TYR 38 HN TYR 38 75.196 -4.813 6.230 285 HA TYR 38 HA TYR 38 76.013 -2.757 8.081 286 HB2 TYR 38 HB2 TYR 38 76.633 -4.115 9.944 287 HB3 TYR 38 HB1 TYR 38 74.938 -4.440 9.594 288 HD1 TYR 38 HD1 TYR 38 74.474 -6.441 7.941 289 HD2 TYR 38 HD2 TYR 38 78.113 -5.910 10.161 290 HE1 TYR 38 HE1 TYR 38 74.985 -8.854 7.686 291 HE2 TYR 38 HE2 TYR 38 78.625 -8.314 9.906 292 HH TYR 38 HH TYR 38 78.020 -10.167 8.304 293 H ILE 39 HN ILE 39 78.353 -3.011 8.716 294 HA ILE 39 HA ILE 39 79.852 -4.370 6.541 295 HB ILE 39 HB ILE 39 80.869 -1.957 8.035 296 HG12 ILE 39 HG12 ILE 39 79.999 -0.881 5.663 297 HG13 ILE 39 HG11 ILE 39 78.723 -2.062 5.944 298 HG21 ILE 39 HG21 ILE 39 81.411 -3.115 5.285 299 HG22 ILE 39 HG22 ILE 39 82.445 -3.290 6.703 300 HG23 ILE 39 HG23 ILE 39 82.204 -1.700 5.976 301 HD11 ILE 39 HD11 ILE 39 78.547 -1.107 8.307 302 HD12 ILE 39 HD12 ILE 39 78.013 -0.041 7.007 303 HD13 ILE 39 HD13 ILE 39 79.593 0.199 7.754 304 H ASN 40 HN ASN 40 80.310 -6.295 7.692 305 HA ASN 40 HA ASN 40 80.932 -6.874 10.201 306 HB2 ASN 40 HB2 ASN 40 81.164 -8.422 8.247 307 HB3 ASN 40 HB1 ASN 40 82.742 -7.705 7.929 308 HD21 ASN 40 HD21 ASN 40 80.939 -9.750 10.195 309 HD22 ASN 40 HD22 ASN 40 82.304 -10.312 11.032 310 H GLY 41 HN GLY 41 82.150 -6.091 11.742 311 HA2 GLY 41 HA2 GLY 41 84.367 -5.567 12.614 312 HA3 GLY 41 HA1 GLY 41 84.711 -4.736 11.094 313 H ALA 42 HN ALA 42 81.577 -4.131 11.659 314 HA ALA 42 HA ALA 42 81.611 -2.154 13.709 315 HB1 ALA 42 HB1 ALA 42 81.355 -0.174 12.217 316 HB2 ALA 42 HB2 ALA 42 81.780 -1.191 10.840 317 HB3 ALA 42 HB3 ALA 42 82.961 -0.894 12.118 318 H ALA 43 HN ALA 43 79.749 -3.593 14.070 319 HA ALA 43 HA ALA 43 77.597 -3.815 12.252 320 HB1 ALA 43 HB1 ALA 43 77.965 -5.274 14.258 321 HB2 ALA 43 HB2 ALA 43 76.320 -4.653 14.119 322 HB3 ALA 43 HB3 ALA 43 77.440 -3.930 15.272 323 H VAL 44 HN VAL 44 75.750 -2.626 11.966 324 HA VAL 44 HA VAL 44 75.818 0.144 12.853 325 HB VAL 44 HB VAL 44 73.825 -1.318 11.106 326 HG11 VAL 44 HG11 VAL 44 72.711 0.614 11.839 327 HG12 VAL 44 HG12 VAL 44 73.469 1.159 10.343 328 HG13 VAL 44 HG13 VAL 44 74.191 1.571 11.900 329 HG21 VAL 44 HG21 VAL 44 76.017 0.575 10.230 330 HG22 VAL 44 HG22 VAL 44 75.054 -0.518 9.233 331 HG23 VAL 44 HG23 VAL 44 76.271 -1.169 10.329 332 H GLN 45 HN GLN 45 74.610 1.022 14.435 333 HA GLN 45 HA GLN 45 72.742 -0.715 15.913 334 HB2 GLN 45 HB2 GLN 45 73.719 2.039 16.688 335 HB3 GLN 45 HB1 GLN 45 72.965 0.844 17.731 336 HG2 GLN 45 HG2 GLN 45 74.874 -0.644 17.497 337 HG3 GLN 45 HG1 GLN 45 75.622 0.449 16.335 338 HE21 GLN 45 HE21 GLN 45 74.542 2.795 18.080 339 HE22 GLN 45 HE22 GLN 45 75.671 2.885 19.344 340 HA PRO 46 HA PRO 46 69.235 1.296 14.131 341 HB2 PRO 46 HB2 PRO 46 67.713 1.679 16.562 342 HB3 PRO 46 HB1 PRO 46 67.510 0.426 15.330 343 HG2 PRO 46 HG2 PRO 46 68.630 0.176 17.967 344 HG3 PRO 46 HG1 PRO 46 68.333 -1.092 16.771 345 HD2 PRO 46 HD2 PRO 46 70.868 -0.040 17.578 346 HD3 PRO 46 HD1 PRO 46 70.556 -1.222 16.295 347 H ASP 47 HN ASP 47 70.653 2.801 17.009 348 HA ASP 47 HA ASP 47 69.422 5.388 16.367 349 HB2 ASP 47 HB2 ASP 47 71.179 4.508 18.661 350 HB3 ASP 47 HB1 ASP 47 70.482 6.118 18.483 351 H ASP 48 HN ASP 48 72.149 3.835 15.256 352 HA ASP 48 HA ASP 48 74.084 5.915 15.541 353 HB2 ASP 48 HB2 ASP 48 73.845 3.542 13.706 354 HB3 ASP 48 HB1 ASP 48 75.135 4.723 13.512 355 H SER 49 HN SER 49 74.371 7.761 14.427 356 HA SER 49 HA SER 49 72.526 8.366 12.221 357 HB2 SER 49 HB2 SER 49 72.659 9.916 14.173 358 HB3 SER 49 HB1 SER 49 74.349 10.215 13.774 359 HG SER 49 HG SER 49 72.730 11.716 12.881 360 H ASP 50 HN ASP 50 75.577 7.140 12.597 361 HA ASP 50 HA ASP 50 76.936 8.686 10.549 362 HB2 ASP 50 HB2 ASP 50 77.668 6.186 12.072 363 HB3 ASP 50 HB1 ASP 50 78.675 6.836 10.780 364 H TRP 51 HN TRP 51 75.063 5.745 10.731 365 HA TRP 51 HA TRP 51 75.553 5.222 7.844 366 HB2 TRP 51 HB2 TRP 51 74.715 3.401 10.113 367 HB3 TRP 51 HB1 TRP 51 74.552 2.943 8.420 368 HD1 TRP 51 HD1 TRP 51 76.746 2.400 7.061 369 HE1 TRP 51 HE1 TRP 51 79.174 1.943 7.787 370 HE3 TRP 51 HE3 TRP 51 76.553 4.033 11.885 371 HZ2 TRP 51 HZ2 TRP 51 80.813 2.220 10.114 372 HZ3 TRP 51 HZ3 TRP 51 78.552 3.920 13.340 373 HH2 TRP 51 HH2 TRP 51 80.684 3.013 12.457 374 H THR 52 HN THR 52 73.760 5.167 6.456 375 HA THR 52 HA THR 52 71.093 5.505 7.690 376 HB THR 52 HB THR 52 72.101 7.045 5.291 377 HG1 THR 52 HG1 THR 52 71.702 8.794 6.925 378 HG21 THR 52 HG21 THR 52 69.733 6.681 5.143 379 HG22 THR 52 HG22 THR 52 69.959 8.327 5.741 380 HG23 THR 52 HG23 THR 52 69.518 7.035 6.858 381 H VAL 53 HN VAL 53 69.706 4.039 6.944 382 HA VAL 53 HA VAL 53 69.991 2.981 4.208 383 HB VAL 53 HB VAL 53 71.155 1.333 5.571 384 HG11 VAL 53 HG11 VAL 53 68.658 1.154 7.275 385 HG12 VAL 53 HG12 VAL 53 70.075 2.097 7.733 386 HG13 VAL 53 HG13 VAL 53 70.203 0.349 7.548 387 HG21 VAL 53 HG21 VAL 53 69.795 -0.630 5.131 388 HG22 VAL 53 HG22 VAL 53 69.549 0.519 3.816 389 HG23 VAL 53 HG23 VAL 53 68.326 0.341 5.077 390 H THR 54 HN THR 54 68.003 2.847 3.235 391 HA THR 54 HA THR 54 65.620 2.669 4.956 392 HB THR 54 HB THR 54 64.588 4.509 3.612 393 HG1 THR 54 HG1 THR 54 66.780 5.816 3.011 394 HG21 THR 54 HG21 THR 54 67.007 5.310 5.239 395 HG22 THR 54 HG22 THR 54 65.471 4.793 5.933 396 HG23 THR 54 HG23 THR 54 65.555 6.271 4.975 397 H ALA 55 HN ALA 55 63.849 1.855 4.037 398 HA ALA 55 HA ALA 55 64.181 0.577 1.379 399 HB1 ALA 55 HB1 ALA 55 62.325 -0.933 2.184 400 HB2 ALA 55 HB2 ALA 55 62.488 -0.174 3.768 401 HB3 ALA 55 HB3 ALA 55 63.840 -1.074 3.079 402 H ASP 56 HN ASP 56 63.228 1.672 -0.173 403 HA ASP 56 HA ASP 56 60.544 2.850 0.292 404 HB2 ASP 56 HB2 ASP 56 62.840 3.834 -1.420 405 HB3 ASP 56 HB1 ASP 56 61.188 4.430 -1.585 406 H GLY 57 HN GLY 57 59.271 1.240 -0.502 407 HA2 GLY 57 HA2 GLY 57 58.251 -0.096 -2.077 408 HA3 GLY 57 HA1 GLY 57 59.088 0.854 -3.305 409 H SER 58 HN SER 58 60.337 -0.364 -4.572 410 HA SER 58 HA SER 58 61.660 -2.765 -3.434 411 HB2 SER 58 HB2 SER 58 60.065 -3.257 -5.237 412 HB3 SER 58 HB1 SER 58 60.901 -2.126 -6.298 413 HG SER 58 HG SER 58 61.575 -4.304 -6.596 414 H HIS 59 HN HIS 59 62.816 -0.308 -2.943 415 HA HIS 59 HA HIS 59 65.306 -0.502 -4.508 416 HB2 HIS 59 HB2 HIS 59 63.809 2.075 -3.954 417 HB3 HIS 59 HB1 HIS 59 65.421 1.966 -4.659 418 HD1 HIS 59 HD1 HIS 59 61.980 0.464 -5.381 419 HD2 HIS 59 HD2 HIS 59 65.297 1.966 -7.411 420 HE1 HIS 59 HE1 HIS 59 61.422 0.349 -7.849 421 H HIS 60 HN HIS 60 67.121 -0.317 -3.230 422 HA HIS 60 HA HIS 60 66.698 0.539 -0.406 423 HB2 HIS 60 HB2 HIS 60 68.545 -1.568 -1.554 424 HB3 HIS 60 HB1 HIS 60 68.616 -0.995 0.114 425 HD1 HIS 60 HD1 HIS 60 66.461 -1.458 1.613 426 HD2 HIS 60 HD2 HIS 60 66.483 -3.401 -2.076 427 HE1 HIS 60 HE1 HIS 60 64.671 -3.246 1.733 428 H ALA 61 HN ALA 61 67.840 2.309 0.218 429 HA ALA 61 HA ALA 61 70.234 3.041 -1.411 430 HB1 ALA 61 HB1 ALA 61 68.039 4.770 -0.258 431 HB2 ALA 61 HB2 ALA 61 68.568 4.658 -1.936 432 HB3 ALA 61 HB3 ALA 61 69.604 5.429 -0.736 433 H LEU 62 HN LEU 62 72.040 2.894 -0.248 434 HA LEU 62 HA LEU 62 71.947 3.583 2.635 435 HB2 LEU 62 HB2 LEU 62 72.041 1.099 2.156 436 HB3 LEU 62 HB1 LEU 62 73.633 1.370 1.464 437 HG LEU 62 HG LEU 62 72.899 2.243 4.278 438 HD11 LEU 62 HD11 LEU 62 74.280 -0.318 3.443 439 HD12 LEU 62 HD12 LEU 62 72.607 -0.216 3.993 440 HD13 LEU 62 HD13 LEU 62 73.925 0.193 5.092 441 HD21 LEU 62 HD21 LEU 62 74.886 3.344 3.825 442 HD22 LEU 62 HD22 LEU 62 75.422 2.159 2.642 443 HD23 LEU 62 HD23 LEU 62 75.553 1.811 4.363 444 H LEU 63 HN LEU 63 73.317 5.180 3.157 445 HA LEU 63 HA LEU 63 75.776 5.535 1.519 446 HB2 LEU 63 HB2 LEU 63 75.629 7.980 2.166 447 HB3 LEU 63 HB1 LEU 63 74.434 7.418 1.002 448 HG LEU 63 HG LEU 63 72.939 7.014 3.143 449 HD11 LEU 63 HD11 LEU 63 74.377 7.490 4.954 450 HD12 LEU 63 HD12 LEU 63 73.460 8.979 4.785 451 HD13 LEU 63 HD13 LEU 63 75.097 8.880 4.149 452 HD21 LEU 63 HD21 LEU 63 73.515 9.824 2.156 453 HD22 LEU 63 HD22 LEU 63 72.021 9.270 2.913 454 HD23 LEU 63 HD23 LEU 63 72.483 8.657 1.326 455 H LEU 64 HN LEU 64 77.559 6.624 2.675 456 HA LEU 64 HA LEU 64 77.568 6.116 5.581 457 HB2 LEU 64 HB2 LEU 64 78.983 4.468 4.181 458 HB3 LEU 64 HB1 LEU 64 79.944 5.864 3.701 459 HG LEU 64 HG LEU 64 80.360 6.350 6.129 460 HD11 LEU 64 HD11 LEU 64 80.014 4.121 7.546 461 HD12 LEU 64 HD12 LEU 64 78.703 3.863 6.398 462 HD13 LEU 64 HD13 LEU 64 78.724 5.308 7.404 463 HD21 LEU 64 HD21 LEU 64 82.024 5.177 4.773 464 HD22 LEU 64 HD22 LEU 64 81.213 3.637 5.064 465 HD23 LEU 64 HD23 LEU 64 81.999 4.486 6.394 466 H ARG 65 HN ARG 65 77.708 8.139 6.492 467 HA ARG 65 HA ARG 65 78.116 10.411 4.948 468 HB2 ARG 65 HB2 ARG 65 77.109 10.327 7.276 469 HB3 ARG 65 HB1 ARG 65 78.757 10.292 7.904 470 HG2 ARG 65 HG2 ARG 65 79.263 12.374 6.671 471 HG3 ARG 65 HG1 ARG 65 77.606 12.409 6.070 472 HD2 ARG 65 HD2 ARG 65 77.755 13.888 7.990 473 HD3 ARG 65 HD1 ARG 65 76.804 12.477 8.443 474 HE ARG 65 HE ARG 65 79.547 12.050 9.060 475 HH11 ARG 65 HH21 ARG 65 76.632 13.605 10.077 476 HH12 ARG 65 HH22 ARG 65 77.148 13.808 11.719 477 HH21 ARG 65 HH11 ARG 65 80.280 12.417 11.179 478 HH22 ARG 65 HH12 ARG 65 79.217 13.134 12.342 479 H SER 66 HN SER 66 80.436 10.636 7.527 480 HA SER 66 HA SER 66 82.555 10.872 5.536 481 HB2 SER 66 HB2 SER 66 83.876 11.735 7.401 482 HB3 SER 66 HB1 SER 66 82.329 12.571 7.315 483 HG SER 66 HG SER 66 81.609 11.409 9.035 484 H ALA 67 HN ALA 67 83.813 9.175 5.039 485 HA ALA 67 HA ALA 67 83.667 6.686 6.392 486 HB1 ALA 67 HB1 ALA 67 85.364 7.878 4.233 487 HB2 ALA 67 HB2 ALA 67 84.384 6.415 4.200 488 HB3 ALA 67 HB3 ALA 67 85.951 6.407 5.012 489 H GLN 68 HN GLN 68 84.946 5.815 8.009 490 HA GLN 68 HA GLN 68 87.170 7.472 9.043 491 HB2 GLN 68 HB2 GLN 68 86.441 6.880 11.350 492 HB3 GLN 68 HB1 GLN 68 85.286 7.904 10.495 493 HG2 GLN 68 HG2 GLN 68 84.024 5.828 9.850 494 HG3 GLN 68 HG1 GLN 68 85.116 4.903 10.879 495 HE21 GLN 68 HE21 GLN 68 82.086 6.119 10.962 496 HE22 GLN 68 HE22 GLN 68 81.961 6.510 12.608 497 HA PRO 69 HA PRO 69 89.298 3.554 8.747 498 HB2 PRO 69 HB2 PRO 69 91.137 4.127 10.914 499 HB3 PRO 69 HB1 PRO 69 91.447 4.194 9.176 500 HG2 PRO 69 HG2 PRO 69 91.096 6.377 11.020 501 HG3 PRO 69 HG1 PRO 69 91.520 6.441 9.307 502 HD2 PRO 69 HD2 PRO 69 89.025 7.191 10.493 503 HD3 PRO 69 HD1 PRO 69 89.413 7.117 8.763 504 H HIS 70 HN HIS 70 87.394 2.454 9.580 505 HA HIS 70 HA HIS 70 87.861 0.908 11.901 506 HB2 HIS 70 HB2 HIS 70 87.309 2.973 13.112 507 HB3 HIS 70 HB1 HIS 70 85.800 3.106 12.215 508 HD1 HIS 70 HD1 HIS 70 87.536 0.675 14.588 509 HD2 HIS 70 HD2 HIS 70 83.691 1.768 13.398 510 HE1 HIS 70 HE1 HIS 70 85.933 -0.582 16.095 511 H HIS 71 HN HIS 71 85.414 2.314 9.758 512 HA HIS 71 HA HIS 71 83.563 0.170 10.079 513 HB2 HIS 71 HB2 HIS 71 82.210 1.259 8.515 514 HB3 HIS 71 HB1 HIS 71 83.090 2.579 9.281 515 HD1 HIS 71 HD1 HIS 71 84.099 4.177 7.669 516 HD2 HIS 71 HD2 HIS 71 83.684 0.387 5.982 517 HE1 HIS 71 HE1 HIS 71 84.842 4.377 5.259 518 H ALA 72 HN ALA 72 86.197 0.786 7.817 519 HA ALA 72 HA ALA 72 85.774 -0.790 5.690 520 HB1 ALA 72 HB1 ALA 72 88.177 -1.537 5.834 521 HB2 ALA 72 HB2 ALA 72 88.255 -0.754 7.413 522 HB3 ALA 72 HB3 ALA 72 87.936 0.205 5.967 523 H GLY 73 HN GLY 73 85.728 -2.937 5.127 524 HA2 GLY 73 HA2 GLY 73 86.446 -5.190 6.459 525 HA3 GLY 73 HA1 GLY 73 84.923 -4.762 7.235 526 H GLU 74 HN GLU 74 83.448 -6.154 6.479 527 HA GLU 74 HA GLU 74 83.234 -6.526 3.539 528 HB2 GLU 74 HB2 GLU 74 82.562 -8.465 5.759 529 HB3 GLU 74 HB1 GLU 74 82.267 -8.742 4.043 530 HG2 GLU 74 HG2 GLU 74 84.647 -8.604 3.561 531 HG3 GLU 74 HG1 GLU 74 84.993 -8.181 5.237 532 H VAL 75 HN VAL 75 81.339 -5.917 2.634 533 HA VAL 75 HA VAL 75 79.165 -5.049 4.403 534 HB VAL 75 HB VAL 75 79.540 -4.737 1.408 535 HG11 VAL 75 HG11 VAL 75 77.635 -3.105 1.691 536 HG12 VAL 75 HG12 VAL 75 77.418 -3.734 3.324 537 HG13 VAL 75 HG13 VAL 75 77.181 -4.790 1.934 538 HG21 VAL 75 HG21 VAL 75 81.117 -3.390 2.758 539 HG22 VAL 75 HG22 VAL 75 79.760 -2.738 3.679 540 HG23 VAL 75 HG23 VAL 75 79.920 -2.365 1.964 541 H THR 76 HN THR 76 77.352 -6.220 4.625 542 HA THR 76 HA THR 76 76.819 -8.386 2.677 543 HB THR 76 HB THR 76 76.780 -8.601 5.689 544 HG1 THR 76 HG1 THR 76 78.582 -9.123 3.746 545 HG21 THR 76 HG21 THR 76 76.282 -11.062 5.051 546 HG22 THR 76 HG22 THR 76 75.784 -10.415 3.489 547 HG23 THR 76 HG23 THR 76 74.947 -9.913 4.959 548 H PHE 77 HN PHE 77 74.905 -8.239 1.863 549 HA PHE 77 HA PHE 77 72.649 -7.268 3.466 550 HB2 PHE 77 HB2 PHE 77 72.972 -5.264 2.364 551 HB3 PHE 77 HB1 PHE 77 73.753 -6.029 0.984 552 HD1 PHE 77 HD2 PHE 77 70.422 -6.659 2.608 553 HD2 PHE 77 HD1 PHE 77 72.532 -5.432 -0.929 554 HE1 PHE 77 HE2 PHE 77 68.285 -6.582 1.356 555 HE2 PHE 77 HE1 PHE 77 70.394 -5.360 -2.177 556 HZ PHE 77 HZ PHE 77 68.275 -5.931 -1.031 557 H ALA 78 HN ALA 78 70.969 -8.543 3.304 558 HA ALA 78 HA ALA 78 70.438 -9.974 0.820 559 HB1 ALA 78 HB1 ALA 78 71.002 -11.571 3.327 560 HB2 ALA 78 HB2 ALA 78 72.138 -11.393 1.989 561 HB3 ALA 78 HB3 ALA 78 70.591 -12.200 1.732 562 H CYS 79 HN CYS 79 68.443 -11.019 0.767 563 HA CYS 79 HA CYS 79 66.640 -10.823 3.028 564 HB2 CYS 79 HB2 CYS 79 65.054 -9.348 2.002 565 HB3 CYS 79 HB1 CYS 79 66.623 -8.542 1.926 566 HG CYS 79 HG CYS 79 66.694 -9.642 -0.625 567 H ARG 80 HN ARG 80 64.550 -10.760 0.652 568 HA ARG 80 HA ARG 80 63.950 -13.481 0.634 569 HB2 ARG 80 HB2 ARG 80 63.353 -11.491 -1.572 570 HB3 ARG 80 HB1 ARG 80 62.481 -12.987 -1.243 571 HG2 ARG 80 HG2 ARG 80 62.723 -10.827 0.856 572 HG3 ARG 80 HG1 ARG 80 61.451 -10.780 -0.359 573 HD2 ARG 80 HD2 ARG 80 60.768 -13.086 0.350 574 HD3 ARG 80 HD1 ARG 80 61.954 -12.994 1.649 575 HE ARG 80 HE ARG 80 60.442 -10.735 1.963 576 HH11 ARG 80 HH21 ARG 80 60.424 -13.916 2.976 577 HH12 ARG 80 HH22 ARG 80 58.751 -13.967 3.427 578 HH21 ARG 80 HH11 ARG 80 58.005 -10.887 2.013 579 HH22 ARG 80 HH12 ARG 80 57.379 -12.255 2.875 580 H ASP 81 HN ASP 81 65.972 -14.538 0.339 581 HA ASP 81 HA ASP 81 67.692 -15.506 -0.843 582 HB2 ASP 81 HB2 ASP 81 65.409 -15.547 -2.820 583 HB3 ASP 81 HB1 ASP 81 66.926 -16.410 -3.073 584 H ALA 82 HN ALA 82 67.096 -12.444 -1.270 585 HA ALA 82 HA ALA 82 68.592 -12.082 -3.785 586 HB1 ALA 82 HB1 ALA 82 67.730 -9.745 -2.114 587 HB2 ALA 82 HB2 ALA 82 66.484 -10.664 -2.950 588 HB3 ALA 82 HB3 ALA 82 67.787 -9.912 -3.868 589 H VAL 83 HN VAL 83 70.358 -13.215 -2.617 590 HA VAL 83 HA VAL 83 71.771 -11.761 -0.558 591 HB VAL 83 HB VAL 83 72.447 -14.237 -2.159 592 HG11 VAL 83 HG11 VAL 83 74.174 -14.493 -0.239 593 HG12 VAL 83 HG12 VAL 83 73.939 -12.765 0.022 594 HG13 VAL 83 HG13 VAL 83 74.558 -13.346 -1.524 595 HG21 VAL 83 HG21 VAL 83 70.534 -14.225 -0.426 596 HG22 VAL 83 HG22 VAL 83 71.799 -14.012 0.785 597 HG23 VAL 83 HG23 VAL 83 71.784 -15.453 -0.231 598 H ALA 84 HN ALA 84 73.401 -10.371 -0.827 599 HA ALA 84 HA ALA 84 74.919 -10.234 -3.316 600 HB1 ALA 84 HB1 ALA 84 74.435 -7.701 -3.381 601 HB2 ALA 84 HB2 ALA 84 73.055 -8.069 -2.342 602 HB3 ALA 84 HB3 ALA 84 73.160 -8.776 -3.955 603 H SER 85 HN SER 85 76.984 -10.140 -2.632 604 HA SER 85 HA SER 85 77.608 -8.463 -0.259 605 HB2 SER 85 HB2 SER 85 79.347 -10.118 0.309 606 HB3 SER 85 HB1 SER 85 77.734 -10.822 0.343 607 HG SER 85 HG SER 85 79.209 -12.142 -0.794 608 H ALA 86 HN ALA 86 79.472 -7.355 -0.252 609 HA ALA 86 HA ALA 86 81.415 -7.483 -2.410 610 HB1 ALA 86 HB1 ALA 86 80.812 -4.771 -2.533 611 HB2 ALA 86 HB2 ALA 86 79.220 -5.510 -2.354 612 HB3 ALA 86 HB3 ALA 86 80.248 -5.972 -3.703 613 H ARG 87 HN ARG 87 83.369 -6.262 -1.805 614 HA ARG 87 HA ARG 87 83.463 -5.789 1.094 615 HB2 ARG 87 HB2 ARG 87 85.655 -6.073 -0.969 616 HB3 ARG 87 HB1 ARG 87 85.915 -5.840 0.759 617 HG2 ARG 87 HG2 ARG 87 84.688 -7.927 1.233 618 HG3 ARG 87 HG1 ARG 87 84.412 -8.158 -0.493 619 HD2 ARG 87 HD2 ARG 87 86.332 -9.497 0.190 620 HD3 ARG 87 HD1 ARG 87 86.880 -8.183 -0.849 621 HE ARG 87 HE ARG 87 86.977 -7.380 1.876 622 HH11 ARG 87 HH21 ARG 87 89.034 -7.579 -0.608 623 HH12 ARG 87 HH22 ARG 87 90.364 -8.306 0.228 624 HH21 ARG 87 HH11 ARG 87 88.507 -9.108 3.045 625 HH22 ARG 87 HH12 ARG 87 90.066 -9.173 2.294 626 H LEU 88 HN LEU 88 83.721 -3.883 2.013 627 HA LEU 88 HA LEU 88 84.251 -1.493 0.348 628 HB2 LEU 88 HB2 LEU 88 82.123 -1.326 1.530 629 HB3 LEU 88 HB1 LEU 88 82.906 -1.751 3.050 630 HG LEU 88 HG LEU 88 84.254 0.332 2.966 631 HD11 LEU 88 HD11 LEU 88 83.444 2.025 1.152 632 HD12 LEU 88 HD12 LEU 88 82.920 0.586 0.275 633 HD13 LEU 88 HD13 LEU 88 84.616 0.792 0.711 634 HD21 LEU 88 HD21 LEU 88 81.281 0.764 2.503 635 HD22 LEU 88 HD22 LEU 88 82.380 1.946 3.220 636 HD23 LEU 88 HD23 LEU 88 82.053 0.424 4.051 637 H THR 89 HN THR 89 86.071 -0.310 0.747 638 HA THR 89 HA THR 89 87.552 -0.917 3.226 639 HB THR 89 HB THR 89 89.554 -1.412 2.166 640 HG1 THR 89 HG1 THR 89 88.485 0.198 0.219 641 HG21 THR 89 HG21 THR 89 89.061 -3.142 0.524 642 HG22 THR 89 HG22 THR 89 87.461 -2.459 0.245 643 HG23 THR 89 HG23 THR 89 87.849 -3.185 1.805 644 H VAL 90 HN VAL 90 89.227 0.573 3.728 645 HA VAL 90 HA VAL 90 88.590 3.320 2.811 646 HB VAL 90 HB VAL 90 89.415 2.257 5.520 647 HG11 VAL 90 HG11 VAL 90 89.283 5.102 4.487 648 HG12 VAL 90 HG12 VAL 90 90.674 4.288 5.205 649 HG13 VAL 90 HG13 VAL 90 89.278 4.694 6.201 650 HG21 VAL 90 HG21 VAL 90 87.035 3.904 4.626 651 HG22 VAL 90 HG22 VAL 90 87.306 3.235 6.236 652 HG23 VAL 90 HG23 VAL 90 87.005 2.158 4.872 653 H LEU 91 HN LEU 91 90.224 4.487 2.006 654 HA LEU 91 HA LEU 91 92.897 3.241 1.906 655 HB2 LEU 91 HB2 LEU 91 91.637 3.975 -0.197 656 HB3 LEU 91 HB1 LEU 91 91.901 5.628 0.331 657 HG LEU 91 HG LEU 91 93.587 4.903 -1.318 658 HD11 LEU 91 HD11 LEU 91 95.377 5.940 -0.301 659 HD12 LEU 91 HD12 LEU 91 95.135 5.121 1.236 660 HD13 LEU 91 HD13 LEU 91 94.074 6.451 0.768 661 HD21 LEU 91 HD21 LEU 91 94.962 3.052 -1.081 662 HD22 LEU 91 HD22 LEU 91 93.508 2.447 -0.295 663 HD23 LEU 91 HD23 LEU 91 94.851 3.047 0.679 664 H GLY 92 HN GLY 92 94.472 3.993 3.185 665 HA2 GLY 92 HA2 GLY 92 95.138 6.646 3.619 666 HA3 GLY 92 HA1 GLY 92 94.053 6.204 4.933 667 H LEU 93 HN LEU 93 97.226 6.094 3.757 668 HA LEU 93 HA LEU 93 98.075 4.111 5.787 669 HB2 LEU 93 HB2 LEU 93 98.638 3.893 3.265 670 HB3 LEU 93 HB1 LEU 93 99.775 5.207 3.556 671 HG LEU 93 HG LEU 93 100.536 3.669 5.597 672 HD11 LEU 93 HD11 LEU 93 100.244 1.332 5.268 673 HD12 LEU 93 HD12 LEU 93 99.650 1.554 3.624 674 HD13 LEU 93 HD13 LEU 93 98.644 2.016 4.994 675 HD21 LEU 93 HD21 LEU 93 102.181 2.565 4.054 676 HD22 LEU 93 HD22 LEU 93 102.030 4.302 3.788 677 HD23 LEU 93 HD23 LEU 93 101.241 3.170 2.688 678 HA PRO 94 HA PRO 94 99.448 8.066 7.641 679 HB2 PRO 94 HB2 PRO 94 100.224 6.636 10.057 680 HB3 PRO 94 HB1 PRO 94 98.905 7.799 9.841 681 HG2 PRO 94 HG2 PRO 94 98.628 5.040 10.244 682 HG3 PRO 94 HG1 PRO 94 97.364 6.155 9.704 683 HD2 PRO 94 HD2 PRO 94 98.863 4.150 8.129 684 HD3 PRO 94 HD1 PRO 94 97.325 4.958 7.758 685 H ASP 95 HN ASP 95 101.448 8.948 7.512 686 HA ASP 95 HA ASP 95 103.702 7.179 6.915 687 HB2 ASP 95 HB2 ASP 95 103.140 9.260 5.572 688 HB3 ASP 95 HB1 ASP 95 103.680 10.200 6.963 689 H GLY 96 HN GLY 96 104.330 6.291 8.869 690 HA2 GLY 96 HA2 GLY 96 104.929 8.097 11.120 691 HA3 GLY 96 HA1 GLY 96 104.833 6.341 11.191 692 H LEU 97 HN LEU 97 106.508 6.419 8.561 693 HA LEU 97 HA LEU 97 109.070 6.247 9.945 694 HB2 LEU 97 HB2 LEU 97 109.902 5.225 7.929 695 HB3 LEU 97 HB1 LEU 97 108.342 4.508 8.321 696 HG LEU 97 HG LEU 97 107.536 6.582 6.701 697 HD11 LEU 97 HD11 LEU 97 110.103 6.959 6.313 698 HD12 LEU 97 HD12 LEU 97 109.016 6.984 4.930 699 HD13 LEU 97 HD13 LEU 97 109.980 5.546 5.269 700 HD21 LEU 97 HD21 LEU 97 107.260 4.900 4.938 701 HD22 LEU 97 HD22 LEU 97 106.892 4.184 6.508 702 HD23 LEU 97 HD23 LEU 97 108.438 3.850 5.727 703 H GLU 98 HN GLU 98 110.596 7.748 9.929 704 HA GLU 98 HA GLU 98 110.147 10.257 8.568 705 HB2 GLU 98 HB2 GLU 98 112.400 9.262 10.327 706 HB3 GLU 98 HB1 GLU 98 112.299 10.901 9.679 707 HG2 GLU 98 HG2 GLU 98 110.128 11.222 10.795 708 HG3 GLU 98 HG1 GLU 98 110.205 9.577 11.423 709 H HIS 99 HN HIS 99 111.484 11.196 7.003 710 HA HIS 99 HA HIS 99 112.737 9.283 5.188 711 HB2 HIS 99 HB2 HIS 99 112.789 11.116 3.614 712 HB3 HIS 99 HB1 HIS 99 111.197 11.071 4.372 713 HD1 HIS 99 HD1 HIS 99 110.837 12.824 6.399 714 HD2 HIS 99 HD2 HIS 99 114.164 13.510 3.985 715 HE1 HIS 99 HE1 HIS 99 111.599 15.192 6.884 716 H HIS 100 HN HIS 100 114.864 9.027 4.899 717 HA HIS 100 HA HIS 100 116.762 11.082 5.761 718 HB2 HIS 100 HB2 HIS 100 116.392 9.608 7.755 719 HB3 HIS 100 HB1 HIS 100 116.954 8.239 6.793 720 HD1 HIS 100 HD1 HIS 100 118.195 11.704 7.805 721 HD2 HIS 100 HD2 HIS 100 119.704 7.934 6.863 722 HE1 HIS 100 HE1 HIS 100 120.698 11.824 8.165 723 H HIS 101 HN HIS 101 115.692 9.227 3.429 724 HA HIS 101 HA HIS 101 118.352 8.883 2.191 725 HB2 HIS 101 HB2 HIS 101 116.144 6.809 2.249 726 HB3 HIS 101 HB1 HIS 101 117.590 6.712 1.246 727 HD1 HIS 101 HD1 HIS 101 116.440 6.509 4.820 728 HD2 HIS 101 HD2 HIS 101 119.976 6.073 2.654 729 HE1 HIS 101 HE1 HIS 101 118.127 5.479 6.403 730 H HIS 102 HN HIS 102 118.340 9.023 -0.081 731 HA HIS 102 HA HIS 102 116.109 10.566 -1.162 732 HB2 HIS 102 HB2 HIS 102 118.797 9.780 -2.314 733 HB3 HIS 102 HB1 HIS 102 117.605 10.762 -3.161 734 HD1 HIS 102 HD1 HIS 102 120.077 10.869 -0.355 735 HD2 HIS 102 HD2 HIS 102 117.266 13.404 -2.100 736 HE1 HIS 102 HE1 HIS 102 120.551 13.190 0.543 737 H HIS 103 HN HIS 103 114.708 9.858 -2.732 738 HA HIS 103 HA HIS 103 115.136 7.199 -3.934 739 HB2 HIS 103 HB2 HIS 103 113.725 6.943 -1.860 740 HB3 HIS 103 HB1 HIS 103 112.517 7.970 -2.635 741 HD1 HIS 103 HD1 HIS 103 114.440 4.759 -3.377 742 HD2 HIS 103 HD2 HIS 103 110.800 6.571 -4.298 743 HE1 HIS 103 HE1 HIS 103 113.127 3.077 -4.741 744 H HIS 104 HN HIS 104 114.426 7.035 -5.985 745 HA HIS 104 HA HIS 104 112.971 9.358 -7.133 746 HB2 HIS 104 HB2 HIS 104 114.119 8.916 -9.217 747 HB3 HIS 104 HB1 HIS 104 115.318 9.062 -7.932 748 HD1 HIS 104 HD1 HIS 104 116.135 6.673 -6.883 749 HD2 HIS 104 HD2 HIS 104 114.270 6.527 -10.608 750 HE1 HIS 104 HE1 HIS 104 116.736 4.430 -7.898 Start of MODEL 16 1 H1 TRP 1 HT1 TRP 1 60.808 -18.451 -11.479 2 H2 TRP 1 HT2 TRP 1 60.777 -18.394 -13.177 3 H3 TRP 1 HT3 TRP 1 59.394 -18.874 -12.314 4 HA TRP 1 HA TRP 1 60.324 -16.236 -12.971 5 HB2 TRP 1 HB2 TRP 1 57.708 -17.313 -11.873 6 HB3 TRP 1 HB1 TRP 1 57.951 -15.719 -12.585 7 HD1 TRP 1 HD1 TRP 1 56.861 -19.082 -13.480 8 HE1 TRP 1 HE1 TRP 1 56.874 -19.417 -16.039 9 HE3 TRP 1 HE3 TRP 1 59.596 -15.015 -14.865 10 HZ2 TRP 1 HZ2 TRP 1 57.925 -18.115 -18.365 11 HZ3 TRP 1 HZ3 TRP 1 60.092 -14.578 -17.258 12 HH2 TRP 1 HH2 TRP 1 59.261 -16.125 -19.006 13 H ARG 2 HN ARG 2 61.943 -16.629 -10.921 14 HA ARG 2 HA ARG 2 60.631 -15.683 -8.442 15 HB2 ARG 2 HB2 ARG 2 63.397 -16.804 -8.967 16 HB3 ARG 2 HB1 ARG 2 62.835 -16.232 -7.394 17 HG2 ARG 2 HG2 ARG 2 61.000 -17.879 -7.440 18 HG3 ARG 2 HG1 ARG 2 61.529 -18.434 -9.026 19 HD2 ARG 2 HD2 ARG 2 63.727 -19.070 -8.028 20 HD3 ARG 2 HD1 ARG 2 63.112 -18.606 -6.444 21 HE ARG 2 HE ARG 2 62.403 -20.991 -7.951 22 HH11 ARG 2 HH11 ARG 2 62.849 -20.306 -4.871 23 HH12 ARG 2 HH12 ARG 2 61.298 -20.773 -4.260 24 HH21 ARG 2 HH21 ARG 2 59.831 -20.959 -7.405 25 HH22 ARG 2 HH22 ARG 2 59.582 -21.149 -5.700 26 H LEU 3 HN LEU 3 60.940 -13.651 -7.681 27 HA LEU 3 HA LEU 3 62.598 -11.820 -9.290 28 HB2 LEU 3 HB2 LEU 3 60.368 -11.446 -7.297 29 HB3 LEU 3 HB1 LEU 3 61.396 -10.099 -7.787 30 HG LEU 3 HG LEU 3 60.821 -10.507 -10.145 31 HD11 LEU 3 HD11 LEU 3 60.391 -12.808 -10.339 32 HD12 LEU 3 HD12 LEU 3 58.771 -12.120 -10.447 33 HD13 LEU 3 HD13 LEU 3 59.327 -12.833 -8.932 34 HD21 LEU 3 HD21 LEU 3 58.273 -10.422 -8.517 35 HD22 LEU 3 HD22 LEU 3 58.606 -9.616 -10.050 36 HD23 LEU 3 HD23 LEU 3 59.399 -9.066 -8.573 37 H GLU 4 HN GLU 4 64.488 -11.070 -8.564 38 HA GLU 4 HA GLU 4 65.030 -11.136 -5.663 39 HB2 GLU 4 HB2 GLU 4 66.769 -12.319 -7.841 40 HB3 GLU 4 HB1 GLU 4 67.312 -12.041 -6.184 41 HG2 GLU 4 HG2 GLU 4 65.407 -13.453 -5.375 42 HG3 GLU 4 HG1 GLU 4 65.003 -13.811 -7.053 43 H ILE 5 HN ILE 5 67.801 -10.632 -7.397 44 HA ILE 5 HA ILE 5 67.663 -7.731 -6.970 45 HB ILE 5 HB ILE 5 70.025 -9.568 -7.402 46 HG12 ILE 5 HG12 ILE 5 69.181 -8.068 -4.910 47 HG13 ILE 5 HG11 ILE 5 68.756 -9.748 -5.213 48 HG21 ILE 5 HG21 ILE 5 71.314 -7.537 -6.658 49 HG22 ILE 5 HG22 ILE 5 69.826 -6.605 -6.818 50 HG23 ILE 5 HG23 ILE 5 70.550 -7.357 -8.236 51 HD11 ILE 5 HD11 ILE 5 70.752 -9.742 -3.865 52 HD12 ILE 5 HD12 ILE 5 71.539 -8.597 -4.950 53 HD13 ILE 5 HD13 ILE 5 71.213 -10.244 -5.494 54 H LEU 6 HN LEU 6 67.354 -6.411 -8.663 55 HA LEU 6 HA LEU 6 67.691 -7.410 -11.369 56 HB2 LEU 6 HB2 LEU 6 66.887 -4.730 -10.244 57 HB3 LEU 6 HB1 LEU 6 67.008 -5.066 -11.970 58 HG LEU 6 HG LEU 6 65.298 -6.668 -10.055 59 HD11 LEU 6 HD11 LEU 6 63.439 -5.361 -11.373 60 HD12 LEU 6 HD12 LEU 6 64.719 -4.187 -11.656 61 HD13 LEU 6 HD13 LEU 6 64.243 -4.597 -10.007 62 HD21 LEU 6 HD21 LEU 6 65.882 -6.794 -12.989 63 HD22 LEU 6 HD22 LEU 6 64.200 -7.026 -12.528 64 HD23 LEU 6 HD23 LEU 6 65.447 -8.080 -11.866 65 H GLU 7 HN GLU 7 68.891 -4.387 -9.794 66 HA GLU 7 HA GLU 7 71.555 -4.918 -10.990 67 HB2 GLU 7 HB2 GLU 7 71.715 -2.395 -11.265 68 HB3 GLU 7 HB1 GLU 7 70.628 -3.213 -12.384 69 HG2 GLU 7 HG2 GLU 7 68.726 -2.654 -10.867 70 HG3 GLU 7 HG1 GLU 7 69.836 -1.737 -9.855 71 H LEU 8 HN LEU 8 73.107 -4.954 -9.513 72 HA LEU 8 HA LEU 8 72.630 -3.663 -6.888 73 HB2 LEU 8 HB2 LEU 8 74.624 -5.376 -6.324 74 HB3 LEU 8 HB1 LEU 8 72.936 -5.865 -6.290 75 HG LEU 8 HG LEU 8 73.131 -6.687 -8.622 76 HD11 LEU 8 HD11 LEU 8 75.943 -5.636 -8.277 77 HD12 LEU 8 HD12 LEU 8 74.829 -5.384 -9.619 78 HD13 LEU 8 HD13 LEU 8 75.606 -6.945 -9.408 79 HD21 LEU 8 HD21 LEU 8 74.326 -8.683 -8.088 80 HD22 LEU 8 HD22 LEU 8 73.679 -8.103 -6.551 81 HD23 LEU 8 HD23 LEU 8 75.375 -7.842 -6.959 82 H LEU 9 HN LEU 9 74.222 -2.450 -5.909 83 HA LEU 9 HA LEU 9 76.456 -1.546 -7.657 84 HB2 LEU 9 HB2 LEU 9 74.710 0.160 -6.907 85 HB3 LEU 9 HB1 LEU 9 75.296 -0.084 -5.267 86 HG LEU 9 HG LEU 9 77.116 0.696 -7.572 87 HD11 LEU 9 HD11 LEU 9 75.300 2.389 -7.140 88 HD12 LEU 9 HD12 LEU 9 76.927 2.997 -6.841 89 HD13 LEU 9 HD13 LEU 9 75.898 2.531 -5.488 90 HD21 LEU 9 HD21 LEU 9 78.530 -0.066 -5.877 91 HD22 LEU 9 HD22 LEU 9 77.432 0.412 -4.587 92 HD23 LEU 9 HD23 LEU 9 78.387 1.630 -5.428 93 H LYS 10 HN LYS 10 78.285 -2.519 -7.080 94 HA LYS 10 HA LYS 10 78.869 -2.919 -4.207 95 HB2 LYS 10 HB2 LYS 10 79.837 -5.041 -6.084 96 HB3 LYS 10 HB1 LYS 10 79.332 -5.168 -4.406 97 HG2 LYS 10 HG2 LYS 10 77.031 -4.516 -6.113 98 HG3 LYS 10 HG1 LYS 10 77.848 -5.932 -6.708 99 HD2 LYS 10 HD2 LYS 10 76.180 -6.646 -5.149 100 HD3 LYS 10 HD1 LYS 10 77.746 -6.871 -4.389 101 HE2 LYS 10 HE2 LYS 10 76.532 -5.822 -2.680 102 HE3 LYS 10 HE1 LYS 10 77.318 -4.447 -3.445 103 HZ1 LYS 10 HZ1 LYS 10 74.999 -3.992 -3.144 104 HZ2 LYS 10 HZ2 LYS 10 74.561 -5.409 -3.971 105 HZ3 LYS 10 HZ3 LYS 10 75.326 -4.136 -4.800 106 H ASN 11 HN ASN 11 81.188 -3.676 -3.967 107 HA ASN 11 HA ASN 11 83.429 -3.176 -4.099 108 HB2 ASN 11 HB2 ASN 11 82.724 -2.882 -7.026 109 HB3 ASN 11 HB1 ASN 11 84.367 -2.828 -6.401 110 HD21 ASN 11 HD21 ASN 11 82.291 -4.908 -7.871 111 HD22 ASN 11 HD22 ASN 11 82.822 -6.376 -7.206 112 H ALA 12 HN ALA 12 83.867 -1.367 -2.997 113 HA ALA 12 HA ALA 12 84.027 1.136 -4.466 114 HB1 ALA 12 HB1 ALA 12 81.970 0.678 -2.333 115 HB2 ALA 12 HB2 ALA 12 81.793 1.479 -3.891 116 HB3 ALA 12 HB3 ALA 12 82.644 2.293 -2.577 117 H ALA 13 HN ALA 13 85.553 2.425 -3.784 118 HA ALA 13 HA ALA 13 86.977 1.803 -1.260 119 HB1 ALA 13 HB1 ALA 13 87.974 3.494 -3.559 120 HB2 ALA 13 HB2 ALA 13 88.221 1.748 -3.492 121 HB3 ALA 13 HB3 ALA 13 88.913 2.788 -2.247 122 H VAL 14 HN VAL 14 87.726 3.681 0.017 123 HA VAL 14 HA VAL 14 86.201 6.161 -0.470 124 HB VAL 14 HB VAL 14 85.599 6.296 1.905 125 HG11 VAL 14 HG11 VAL 14 84.011 5.344 0.300 126 HG12 VAL 14 HG12 VAL 14 83.877 4.515 1.853 127 HG13 VAL 14 HG13 VAL 14 84.733 3.751 0.512 128 HG21 VAL 14 HG21 VAL 14 86.584 3.431 2.083 129 HG22 VAL 14 HG22 VAL 14 85.879 4.390 3.382 130 HG23 VAL 14 HG23 VAL 14 87.459 4.816 2.737 131 H ARG 15 HN ARG 15 86.903 7.928 0.887 132 HA ARG 15 HA ARG 15 89.775 7.795 1.621 133 HB2 ARG 15 HB2 ARG 15 88.415 9.987 0.053 134 HB3 ARG 15 HB1 ARG 15 90.018 10.125 0.765 135 HG2 ARG 15 HG2 ARG 15 90.675 8.065 -0.533 136 HG3 ARG 15 HG1 ARG 15 89.122 8.170 -1.364 137 HD2 ARG 15 HD2 ARG 15 91.141 10.417 -1.255 138 HD3 ARG 15 HD1 ARG 15 91.015 9.285 -2.600 139 HE ARG 15 HE ARG 15 89.189 11.459 -1.978 140 HH11 ARG 15 HH11 ARG 15 90.194 10.461 -4.734 141 HH12 ARG 15 HH12 ARG 15 88.727 9.826 -5.402 142 HH21 ARG 15 HH21 ARG 15 87.068 9.737 -2.358 143 HH22 ARG 15 HH22 ARG 15 86.953 9.430 -4.059 144 H ALA 16 HN ALA 16 90.473 9.421 3.080 145 HA ALA 16 HA ALA 16 88.852 9.672 5.356 146 HB1 ALA 16 HB1 ALA 16 90.604 11.474 5.974 147 HB2 ALA 16 HB2 ALA 16 91.367 11.050 4.443 148 HB3 ALA 16 HB3 ALA 16 91.179 9.829 5.702 149 H GLY 17 HN GLY 17 86.903 10.663 5.143 150 HA2 GLY 17 HA2 GLY 17 85.724 12.720 5.487 151 HA3 GLY 17 HA1 GLY 17 86.912 13.551 4.498 152 H ALA 18 HN ALA 18 86.481 10.904 2.769 153 HA ALA 18 HA ALA 18 84.699 12.178 0.892 154 HB1 ALA 18 HB1 ALA 18 85.037 9.846 -0.287 155 HB2 ALA 18 HB2 ALA 18 86.294 9.643 0.933 156 HB3 ALA 18 HB3 ALA 18 86.373 10.996 -0.196 157 H GLN 19 HN GLN 19 83.013 10.678 -0.207 158 HA GLN 19 HA GLN 19 81.279 9.518 1.907 159 HB2 GLN 19 HB2 GLN 19 80.436 11.625 0.846 160 HB3 GLN 19 HB1 GLN 19 80.431 10.791 -0.708 161 HG2 GLN 19 HG2 GLN 19 78.840 9.131 0.154 162 HG3 GLN 19 HG1 GLN 19 78.882 9.894 1.743 163 HE21 GLN 19 HE21 GLN 19 76.560 9.591 -0.176 164 HE22 GLN 19 HE22 GLN 19 75.999 11.174 -0.435 165 H ALA 20 HN ALA 20 80.023 7.712 1.353 166 HA ALA 20 HA ALA 20 80.925 6.173 -1.025 167 HB1 ALA 20 HB1 ALA 20 81.760 5.374 1.316 168 HB2 ALA 20 HB2 ALA 20 81.044 4.190 0.224 169 HB3 ALA 20 HB3 ALA 20 80.095 4.851 1.556 170 H CYS 21 HN CYS 21 79.316 4.915 -2.007 171 HA CYS 21 HA CYS 21 76.554 5.309 -1.026 172 HB2 CYS 21 HB2 CYS 21 76.052 5.591 -3.608 173 HB3 CYS 21 HB1 CYS 21 76.563 6.971 -2.637 174 HG CYS 21 HG CYS 21 79.100 6.124 -3.528 175 H PHE 22 HN PHE 22 75.180 3.693 -1.415 176 HA PHE 22 HA PHE 22 75.914 1.399 -3.096 177 HB2 PHE 22 HB2 PHE 22 75.272 1.093 -0.144 178 HB3 PHE 22 HB1 PHE 22 75.501 -0.219 -1.299 179 HD1 PHE 22 HD1 PHE 22 77.175 2.459 0.613 180 HD2 PHE 22 HD2 PHE 22 77.707 -0.812 -2.131 181 HE1 PHE 22 HE1 PHE 22 79.616 2.498 1.043 182 HE2 PHE 22 HE2 PHE 22 80.153 -0.767 -1.700 183 HZ PHE 22 HZ PHE 22 81.104 0.884 -0.113 184 H THR 23 HN THR 23 74.107 0.583 -4.061 185 HA THR 23 HA THR 23 71.481 0.952 -2.789 186 HB THR 23 HB THR 23 71.689 2.987 -4.076 187 HG1 THR 23 HG1 THR 23 69.701 2.387 -4.428 188 HG21 THR 23 HG21 THR 23 72.405 1.164 -6.390 189 HG22 THR 23 HG22 THR 23 73.516 2.249 -5.553 190 HG23 THR 23 HG23 THR 23 72.181 2.912 -6.493 191 H CYS 24 HN CYS 24 69.811 -0.378 -3.749 192 HA CYS 24 HA CYS 24 70.647 -2.257 -5.832 193 HB2 CYS 24 HB2 CYS 24 71.233 -3.114 -3.433 194 HB3 CYS 24 HB1 CYS 24 69.503 -3.433 -3.320 195 HG CYS 24 HG CYS 24 69.845 -4.838 -5.637 196 H THR 25 HN THR 25 69.075 -1.535 -7.176 197 HA THR 25 HA THR 25 66.328 -1.207 -6.411 198 HB THR 25 HB THR 25 67.387 -1.748 -9.192 199 HG1 THR 25 HG1 THR 25 68.501 -0.005 -8.695 200 HG21 THR 25 HG21 THR 25 65.009 -0.137 -8.245 201 HG22 THR 25 HG22 THR 25 64.911 -1.814 -8.781 202 HG23 THR 25 HG23 THR 25 65.412 -0.556 -9.910 203 H LEU 26 HN LEU 26 64.902 -2.828 -5.994 204 HA LEU 26 HA LEU 26 65.545 -5.553 -6.974 205 HB2 LEU 26 HB2 LEU 26 63.835 -4.680 -4.637 206 HB3 LEU 26 HB1 LEU 26 64.186 -6.345 -5.090 207 HG LEU 26 HG LEU 26 66.239 -4.276 -4.250 208 HD11 LEU 26 HD11 LEU 26 66.437 -5.698 -2.235 209 HD12 LEU 26 HD12 LEU 26 65.141 -6.730 -2.847 210 HD13 LEU 26 HD13 LEU 26 64.804 -5.057 -2.404 211 HD21 LEU 26 HD21 LEU 26 66.421 -7.155 -5.147 212 HD22 LEU 26 HD22 LEU 26 67.667 -6.440 -4.125 213 HD23 LEU 26 HD23 LEU 26 67.360 -5.774 -5.724 214 H SER 27 HN SER 27 63.986 -6.905 -7.737 215 HA SER 27 HA SER 27 61.891 -5.653 -9.266 216 HB2 SER 27 HB2 SER 27 62.732 -8.521 -8.841 217 HB3 SER 27 HB1 SER 27 61.276 -8.112 -9.745 218 HG SER 27 HG SER 27 63.441 -8.325 -10.865 219 H GLU 28 HN GLU 28 62.211 -6.956 -6.116 220 HA GLU 28 HA GLU 28 59.306 -6.665 -5.717 221 HB2 GLU 28 HB2 GLU 28 59.030 -8.750 -4.699 222 HB3 GLU 28 HB1 GLU 28 60.075 -9.119 -6.065 223 HG2 GLU 28 HG2 GLU 28 60.901 -8.778 -3.169 224 HG3 GLU 28 HG1 GLU 28 60.980 -10.243 -4.145 225 H ALA 29 HN ALA 29 58.713 -5.848 -3.819 226 HA ALA 29 HA ALA 29 60.684 -4.417 -2.304 227 HB1 ALA 29 HB1 ALA 29 58.530 -3.399 -2.654 228 HB2 ALA 29 HB2 ALA 29 58.675 -3.763 -0.934 229 HB3 ALA 29 HB3 ALA 29 57.704 -4.802 -1.975 230 H VAL 30 HN VAL 30 61.273 -4.731 -0.126 231 HA VAL 30 HA VAL 30 60.807 -7.470 0.886 232 HB VAL 30 HB VAL 30 62.931 -5.474 1.700 233 HG11 VAL 30 HG11 VAL 30 62.625 -8.443 2.258 234 HG12 VAL 30 HG12 VAL 30 62.297 -7.166 3.428 235 HG13 VAL 30 HG13 VAL 30 63.934 -7.413 2.829 236 HG21 VAL 30 HG21 VAL 30 63.045 -7.892 -0.134 237 HG22 VAL 30 HG22 VAL 30 64.453 -6.992 0.429 238 HG23 VAL 30 HG23 VAL 30 63.265 -6.209 -0.613 239 HA PRO 31 HA PRO 31 58.242 -5.418 3.931 240 HB2 PRO 31 HB2 PRO 31 58.511 -7.520 5.912 241 HB3 PRO 31 HB1 PRO 31 57.122 -7.168 4.877 242 HG2 PRO 31 HG2 PRO 31 58.908 -9.365 4.678 243 HG3 PRO 31 HG1 PRO 31 57.605 -8.930 3.564 244 HD2 PRO 31 HD2 PRO 31 60.491 -8.652 3.182 245 HD3 PRO 31 HD1 PRO 31 59.177 -8.440 2.005 246 H VAL 32 HN VAL 32 58.854 -6.069 6.825 247 HA VAL 32 HA VAL 32 61.361 -4.487 7.045 248 HB VAL 32 HB VAL 32 58.831 -4.407 8.710 249 HG11 VAL 32 HG11 VAL 32 61.603 -3.332 9.232 250 HG12 VAL 32 HG12 VAL 32 60.549 -4.235 10.319 251 HG13 VAL 32 HG13 VAL 32 60.178 -2.557 9.930 252 HG21 VAL 32 HG21 VAL 32 58.831 -3.075 6.608 253 HG22 VAL 32 HG22 VAL 32 60.303 -2.263 7.144 254 HG23 VAL 32 HG23 VAL 32 58.798 -2.045 8.039 255 H GLY 33 HN GLY 33 62.920 -5.486 8.020 256 HA2 GLY 33 HA2 GLY 33 63.881 -6.647 9.885 257 HA3 GLY 33 HA1 GLY 33 62.365 -7.514 10.103 258 H GLU 34 HN GLU 34 62.470 -7.770 6.957 259 HA GLU 34 HA GLU 34 63.916 -10.323 7.010 260 HB2 GLU 34 HB2 GLU 34 62.133 -9.049 4.912 261 HB3 GLU 34 HB1 GLU 34 62.905 -10.625 4.740 262 HG2 GLU 34 HG2 GLU 34 61.003 -9.875 6.983 263 HG3 GLU 34 HG1 GLU 34 60.547 -10.794 5.550 264 H ALA 35 HN ALA 35 64.282 -7.075 5.984 265 HA ALA 35 HA ALA 35 66.276 -7.576 3.949 266 HB1 ALA 35 HB1 ALA 35 64.980 -5.543 3.754 267 HB2 ALA 35 HB2 ALA 35 66.639 -5.080 4.143 268 HB3 ALA 35 HB3 ALA 35 65.400 -5.064 5.398 269 H SER 36 HN SER 36 68.524 -6.619 4.236 270 HA SER 36 HA SER 36 69.502 -6.537 6.980 271 HB2 SER 36 HB2 SER 36 69.401 -8.990 6.320 272 HB3 SER 36 HB1 SER 36 70.641 -8.626 5.122 273 HG SER 36 HG SER 36 71.606 -7.552 7.197 274 H TRP 37 HN TRP 37 71.093 -5.109 7.117 275 HA TRP 37 HA TRP 37 72.955 -4.703 4.893 276 HB2 TRP 37 HB2 TRP 37 71.230 -2.476 6.008 277 HB3 TRP 37 HB1 TRP 37 72.505 -2.294 4.803 278 HD1 TRP 37 HD1 TRP 37 68.979 -3.679 5.263 279 HE1 TRP 37 HE1 TRP 37 67.960 -4.148 2.937 280 HE3 TRP 37 HE3 TRP 37 73.070 -2.851 2.323 281 HZ2 TRP 37 HZ2 TRP 37 68.775 -4.163 0.196 282 HZ3 TRP 37 HZ3 TRP 37 72.925 -3.099 -0.136 283 HH2 TRP 37 HH2 TRP 37 70.787 -3.756 -1.204 284 H TYR 38 HN TYR 38 74.754 -5.185 6.112 285 HA TYR 38 HA TYR 38 75.471 -3.262 8.186 286 HB2 TYR 38 HB2 TYR 38 75.932 -4.974 9.887 287 HB3 TYR 38 HB1 TYR 38 74.220 -4.919 9.475 288 HD1 TYR 38 HD1 TYR 38 73.420 -6.545 7.614 289 HD2 TYR 38 HD2 TYR 38 77.103 -7.006 9.765 290 HE1 TYR 38 HE1 TYR 38 73.498 -8.936 6.964 291 HE2 TYR 38 HE2 TYR 38 77.185 -9.404 9.117 292 HH TYR 38 HH TYR 38 75.915 -11.124 8.274 293 H ILE 39 HN ILE 39 77.662 -3.284 8.799 294 HA ILE 39 HA ILE 39 79.470 -4.101 6.732 295 HB ILE 39 HB ILE 39 80.868 -3.594 9.256 296 HG12 ILE 39 HG12 ILE 39 78.773 -2.505 9.960 297 HG13 ILE 39 HG11 ILE 39 80.041 -1.317 9.683 298 HG21 ILE 39 HG21 ILE 39 81.821 -3.129 7.046 299 HG22 ILE 39 HG22 ILE 39 81.748 -1.649 8.004 300 HG23 ILE 39 HG23 ILE 39 80.556 -1.936 6.738 301 HD11 ILE 39 HD11 ILE 39 78.727 -0.258 8.227 302 HD12 ILE 39 HD12 ILE 39 77.472 -1.470 8.454 303 HD13 ILE 39 HD13 ILE 39 78.681 -1.689 7.196 304 H ASN 40 HN ASN 40 79.452 -6.248 6.436 305 HA ASN 40 HA ASN 40 79.166 -8.251 8.323 306 HB2 ASN 40 HB2 ASN 40 79.186 -8.876 6.034 307 HB3 ASN 40 HB1 ASN 40 80.811 -8.244 5.797 308 HD21 ASN 40 HD21 ASN 40 79.042 -10.714 7.722 309 HD22 ASN 40 HD22 ASN 40 80.344 -11.802 7.799 310 H GLY 41 HN GLY 41 80.146 -7.897 10.228 311 HA2 GLY 41 HA2 GLY 41 82.365 -8.895 11.161 312 HA3 GLY 41 HA1 GLY 41 83.051 -7.478 10.364 313 H ALA 42 HN ALA 42 80.383 -6.113 10.930 314 HA ALA 42 HA ALA 42 80.436 -5.759 13.831 315 HB1 ALA 42 HB1 ALA 42 80.813 -3.370 12.015 316 HB2 ALA 42 HB2 ALA 42 82.136 -4.147 12.887 317 HB3 ALA 42 HB3 ALA 42 80.810 -3.396 13.777 318 H ALA 43 HN ALA 43 78.376 -6.088 14.278 319 HA ALA 43 HA ALA 43 76.221 -5.718 12.496 320 HB1 ALA 43 HB1 ALA 43 76.172 -7.224 14.460 321 HB2 ALA 43 HB2 ALA 43 74.814 -6.098 14.462 322 HB3 ALA 43 HB3 ALA 43 76.196 -5.816 15.520 323 H VAL 44 HN VAL 44 74.855 -4.040 12.132 324 HA VAL 44 HA VAL 44 75.664 -1.411 13.137 325 HB VAL 44 HB VAL 44 73.682 -2.237 11.002 326 HG11 VAL 44 HG11 VAL 44 73.792 0.174 10.360 327 HG12 VAL 44 HG12 VAL 44 74.710 0.489 11.833 328 HG13 VAL 44 HG13 VAL 44 73.041 -0.075 11.934 329 HG21 VAL 44 HG21 VAL 44 76.486 -1.097 10.881 330 HG22 VAL 44 HG22 VAL 44 75.422 -1.301 9.489 331 HG23 VAL 44 HG23 VAL 44 75.990 -2.711 10.382 332 H GLN 45 HN GLN 45 74.619 -0.329 14.656 333 HA GLN 45 HA GLN 45 72.207 -1.400 15.889 334 HB2 GLN 45 HB2 GLN 45 74.126 0.845 16.498 335 HB3 GLN 45 HB1 GLN 45 72.602 0.714 17.365 336 HG2 GLN 45 HG2 GLN 45 73.193 -1.567 18.077 337 HG3 GLN 45 HG1 GLN 45 74.715 -1.453 17.196 338 HE21 GLN 45 HE21 GLN 45 74.991 -1.916 19.895 339 HE22 GLN 45 HE22 GLN 45 75.488 -0.506 20.701 340 HA PRO 46 HA PRO 46 69.294 1.154 13.731 341 HB2 PRO 46 HB2 PRO 46 67.866 2.147 16.043 342 HB3 PRO 46 HB1 PRO 46 67.394 0.838 14.952 343 HG2 PRO 46 HG2 PRO 46 68.467 0.668 17.640 344 HG3 PRO 46 HG1 PRO 46 67.784 -0.615 16.634 345 HD2 PRO 46 HD2 PRO 46 70.516 -0.299 17.304 346 HD3 PRO 46 HD1 PRO 46 69.866 -1.381 16.059 347 H ASP 47 HN ASP 47 70.867 2.575 16.578 348 HA ASP 47 HA ASP 47 70.374 5.301 15.761 349 HB2 ASP 47 HB2 ASP 47 72.162 4.093 17.884 350 HB3 ASP 47 HB1 ASP 47 72.027 5.827 17.595 351 H ASP 48 HN ASP 48 71.886 3.332 14.000 352 HA ASP 48 HA ASP 48 74.568 3.821 13.764 353 HB2 ASP 48 HB2 ASP 48 74.324 3.364 11.381 354 HB3 ASP 48 HB1 ASP 48 73.319 2.271 12.324 355 H SER 49 HN SER 49 75.323 5.834 14.187 356 HA SER 49 HA SER 49 74.202 8.184 12.911 357 HB2 SER 49 HB2 SER 49 75.191 8.219 15.217 358 HB3 SER 49 HB1 SER 49 76.767 7.934 14.489 359 HG SER 49 HG SER 49 76.711 9.892 13.567 360 H ASP 50 HN ASP 50 77.259 6.389 12.784 361 HA ASP 50 HA ASP 50 78.424 7.935 10.725 362 HB2 ASP 50 HB2 ASP 50 78.956 5.258 11.966 363 HB3 ASP 50 HB1 ASP 50 79.794 5.670 10.474 364 H TRP 51 HN TRP 51 76.383 5.040 10.659 365 HA TRP 51 HA TRP 51 76.370 5.175 7.691 366 HB2 TRP 51 HB2 TRP 51 75.392 2.874 9.386 367 HB3 TRP 51 HB1 TRP 51 75.692 2.892 7.651 368 HD1 TRP 51 HD1 TRP 51 78.181 2.645 6.830 369 HE1 TRP 51 HE1 TRP 51 80.352 1.957 8.028 370 HE3 TRP 51 HE3 TRP 51 76.641 3.010 11.674 371 HZ2 TRP 51 HZ2 TRP 51 81.304 1.595 10.711 372 HZ3 TRP 51 HZ3 TRP 51 78.188 2.484 13.531 373 HH2 TRP 51 HH2 TRP 51 80.513 1.771 13.054 374 H THR 52 HN THR 52 74.313 4.694 6.669 375 HA THR 52 HA THR 52 71.920 5.250 8.283 376 HB THR 52 HB THR 52 72.412 6.660 5.657 377 HG1 THR 52 HG1 THR 52 73.089 8.355 6.769 378 HG21 THR 52 HG21 THR 52 70.054 6.148 6.479 379 HG22 THR 52 HG22 THR 52 70.409 7.846 6.166 380 HG23 THR 52 HG23 THR 52 70.397 7.240 7.821 381 H VAL 53 HN VAL 53 70.134 4.175 7.580 382 HA VAL 53 HA VAL 53 70.415 2.521 5.135 383 HB VAL 53 HB VAL 53 70.691 1.029 7.007 384 HG11 VAL 53 HG11 VAL 53 69.514 2.740 8.620 385 HG12 VAL 53 HG12 VAL 53 69.411 1.018 8.963 386 HG13 VAL 53 HG13 VAL 53 68.051 1.847 8.209 387 HG21 VAL 53 HG21 VAL 53 68.865 -0.483 6.639 388 HG22 VAL 53 HG22 VAL 53 69.106 0.392 5.127 389 HG23 VAL 53 HG23 VAL 53 67.778 0.836 6.200 390 H THR 54 HN THR 54 68.710 2.579 3.779 391 HA THR 54 HA THR 54 66.150 3.707 4.716 392 HB THR 54 HB THR 54 66.081 5.393 3.120 393 HG1 THR 54 HG1 THR 54 66.681 4.483 1.271 394 HG21 THR 54 HG21 THR 54 69.041 5.354 3.663 395 HG22 THR 54 HG22 THR 54 67.874 5.694 4.942 396 HG23 THR 54 HG23 THR 54 67.970 6.749 3.538 397 H ALA 55 HN ALA 55 64.362 3.228 3.399 398 HA ALA 55 HA ALA 55 64.681 1.577 1.047 399 HB1 ALA 55 HB1 ALA 55 63.343 0.345 3.454 400 HB2 ALA 55 HB2 ALA 55 65.005 -0.005 2.980 401 HB3 ALA 55 HB3 ALA 55 63.674 -0.418 1.899 402 H ASP 56 HN ASP 56 63.171 2.220 -0.295 403 HA ASP 56 HA ASP 56 60.430 2.726 0.681 404 HB2 ASP 56 HB2 ASP 56 62.061 4.561 -1.099 405 HB3 ASP 56 HB1 ASP 56 60.320 4.705 -0.850 406 H GLY 57 HN GLY 57 59.170 1.346 -0.408 407 HA2 GLY 57 HA2 GLY 57 58.162 0.303 -2.218 408 HA3 GLY 57 HA1 GLY 57 59.251 1.186 -3.284 409 H SER 58 HN SER 58 60.876 0.100 -4.219 410 HA SER 58 HA SER 58 61.760 -2.483 -3.061 411 HB2 SER 58 HB2 SER 58 61.456 -2.017 -6.027 412 HB3 SER 58 HB1 SER 58 61.743 -3.539 -5.187 413 HG SER 58 HG SER 58 59.602 -2.690 -4.094 414 H HIS 59 HN HIS 59 62.928 0.206 -2.907 415 HA HIS 59 HA HIS 59 65.515 -0.358 -4.236 416 HB2 HIS 59 HB2 HIS 59 64.568 1.413 -5.525 417 HB3 HIS 59 HB1 HIS 59 64.003 2.261 -4.086 418 HD1 HIS 59 HD1 HIS 59 65.410 4.320 -3.864 419 HD2 HIS 59 HD2 HIS 59 67.698 1.001 -4.940 420 HE1 HIS 59 HE1 HIS 59 67.821 5.085 -3.881 421 H HIS 60 HN HIS 60 67.227 -0.288 -2.944 422 HA HIS 60 HA HIS 60 66.883 0.693 -0.157 423 HB2 HIS 60 HB2 HIS 60 68.794 -1.350 -1.325 424 HB3 HIS 60 HB1 HIS 60 68.789 -0.820 0.357 425 HD1 HIS 60 HD1 HIS 60 66.588 -1.352 1.750 426 HD2 HIS 60 HD2 HIS 60 66.855 -3.282 -1.932 427 HE1 HIS 60 HE1 HIS 60 64.902 -3.246 1.813 428 H ALA 61 HN ALA 61 68.819 1.721 0.838 429 HA ALA 61 HA ALA 61 70.922 2.610 -0.933 430 HB1 ALA 61 HB1 ALA 61 69.198 4.783 0.238 431 HB2 ALA 61 HB2 ALA 61 68.898 4.132 -1.373 432 HB3 ALA 61 HB3 ALA 61 70.437 4.914 -1.006 433 H LEU 62 HN LEU 62 72.412 1.868 0.500 434 HA LEU 62 HA LEU 62 72.452 3.001 3.237 435 HB2 LEU 62 HB2 LEU 62 72.522 0.563 3.168 436 HB3 LEU 62 HB1 LEU 62 73.877 0.598 2.051 437 HG LEU 62 HG LEU 62 74.288 2.126 4.594 438 HD11 LEU 62 HD11 LEU 62 74.712 0.188 5.969 439 HD12 LEU 62 HD12 LEU 62 74.379 -0.902 4.624 440 HD13 LEU 62 HD13 LEU 62 73.074 0.043 5.342 441 HD21 LEU 62 HD21 LEU 62 76.093 0.005 3.415 442 HD22 LEU 62 HD22 LEU 62 76.529 1.455 4.317 443 HD23 LEU 62 HD23 LEU 62 75.976 1.588 2.653 444 H LEU 63 HN LEU 63 73.996 4.473 3.756 445 HA LEU 63 HA LEU 63 76.306 4.791 1.891 446 HB2 LEU 63 HB2 LEU 63 76.062 7.327 2.564 447 HB3 LEU 63 HB1 LEU 63 75.025 6.653 1.296 448 HG LEU 63 HG LEU 63 74.027 6.420 4.106 449 HD11 LEU 63 HD11 LEU 63 73.030 8.747 3.875 450 HD12 LEU 63 HD12 LEU 63 74.198 9.024 2.585 451 HD13 LEU 63 HD13 LEU 63 74.758 8.685 4.224 452 HD21 LEU 63 HD21 LEU 63 72.576 7.332 1.613 453 HD22 LEU 63 HD22 LEU 63 71.887 6.624 3.074 454 HD23 LEU 63 HD23 LEU 63 72.831 5.626 1.970 455 H LEU 64 HN LEU 64 77.777 6.524 2.905 456 HA LEU 64 HA LEU 64 78.212 6.227 5.785 457 HB2 LEU 64 HB2 LEU 64 79.588 4.426 4.709 458 HB3 LEU 64 HB1 LEU 64 80.346 5.663 3.709 459 HG LEU 64 HG LEU 64 81.238 6.778 5.689 460 HD11 LEU 64 HD11 LEU 64 79.584 4.715 7.117 461 HD12 LEU 64 HD12 LEU 64 79.795 6.425 7.479 462 HD13 LEU 64 HD13 LEU 64 81.076 5.282 7.869 463 HD21 LEU 64 HD21 LEU 64 82.868 5.046 6.303 464 HD22 LEU 64 HD22 LEU 64 82.513 4.969 4.576 465 HD23 LEU 64 HD23 LEU 64 81.792 3.798 5.674 466 H ARG 65 HN ARG 65 78.485 8.346 6.451 467 HA ARG 65 HA ARG 65 78.955 10.353 4.467 468 HB2 ARG 65 HB2 ARG 65 79.201 10.624 7.486 469 HB3 ARG 65 HB1 ARG 65 79.111 11.948 6.325 470 HG2 ARG 65 HG2 ARG 65 76.879 10.975 5.574 471 HG3 ARG 65 HG1 ARG 65 76.962 9.930 6.993 472 HD2 ARG 65 HD2 ARG 65 77.050 12.961 7.033 473 HD3 ARG 65 HD1 ARG 65 75.658 11.977 7.467 474 HE ARG 65 HE ARG 65 78.009 12.461 9.087 475 HH11 ARG 65 HH21 ARG 65 74.814 11.528 9.162 476 HH12 ARG 65 HH22 ARG 65 74.982 10.348 10.421 477 HH21 ARG 65 HH11 ARG 65 78.450 10.461 10.431 478 HH22 ARG 65 HH12 ARG 65 77.040 9.762 11.157 479 H SER 66 HN SER 66 80.905 11.505 6.729 480 HA SER 66 HA SER 66 83.281 11.286 5.286 481 HB2 SER 66 HB2 SER 66 84.369 12.210 7.269 482 HB3 SER 66 HB1 SER 66 82.847 13.047 6.962 483 HG SER 66 HG SER 66 81.903 11.610 8.512 484 H ALA 67 HN ALA 67 84.010 9.269 4.795 485 HA ALA 67 HA ALA 67 84.077 7.071 6.594 486 HB1 ALA 67 HB1 ALA 67 85.431 7.736 3.989 487 HB2 ALA 67 HB2 ALA 67 84.217 6.505 4.315 488 HB3 ALA 67 HB3 ALA 67 85.874 6.276 4.872 489 H GLN 68 HN GLN 68 85.672 6.374 8.005 490 HA GLN 68 HA GLN 68 88.154 7.975 8.184 491 HB2 GLN 68 HB2 GLN 68 86.260 7.265 10.430 492 HB3 GLN 68 HB1 GLN 68 87.930 7.758 10.708 493 HG2 GLN 68 HG2 GLN 68 87.500 9.865 9.476 494 HG3 GLN 68 HG1 GLN 68 85.822 9.377 9.249 495 HE21 GLN 68 HE21 GLN 68 85.409 11.481 10.519 496 HE22 GLN 68 HE22 GLN 68 85.440 11.396 12.214 497 HA PRO 69 HA PRO 69 90.150 4.009 8.199 498 HB2 PRO 69 HB2 PRO 69 92.092 4.679 10.249 499 HB3 PRO 69 HB1 PRO 69 92.338 4.597 8.500 500 HG2 PRO 69 HG2 PRO 69 92.059 6.933 10.196 501 HG3 PRO 69 HG1 PRO 69 92.533 6.847 8.494 502 HD2 PRO 69 HD2 PRO 69 90.086 7.844 9.473 503 HD3 PRO 69 HD1 PRO 69 90.426 7.416 7.784 504 H HIS 70 HN HIS 70 88.414 2.836 9.153 505 HA HIS 70 HA HIS 70 88.833 1.331 11.388 506 HB2 HIS 70 HB2 HIS 70 87.746 4.015 12.125 507 HB3 HIS 70 HB1 HIS 70 86.960 2.642 12.892 508 HD1 HIS 70 HD1 HIS 70 89.086 0.780 13.674 509 HD2 HIS 70 HD2 HIS 70 89.722 4.895 13.832 510 HE1 HIS 70 HE1 HIS 70 90.955 1.155 15.349 511 H HIS 71 HN HIS 71 86.630 2.957 9.280 512 HA HIS 71 HA HIS 71 84.366 1.241 9.876 513 HB2 HIS 71 HB2 HIS 71 84.744 3.156 7.563 514 HB3 HIS 71 HB1 HIS 71 83.223 2.467 8.130 515 HD1 HIS 71 HD1 HIS 71 84.085 5.591 8.096 516 HD2 HIS 71 HD2 HIS 71 83.913 3.079 11.416 517 HE1 HIS 71 HE1 HIS 71 83.823 7.095 10.119 518 H ALA 72 HN ALA 72 87.203 0.884 8.121 519 HA ALA 72 HA ALA 72 86.318 -0.432 5.797 520 HB1 ALA 72 HB1 ALA 72 88.603 -1.501 5.851 521 HB2 ALA 72 HB2 ALA 72 88.875 -0.677 7.386 522 HB3 ALA 72 HB3 ALA 72 88.594 0.261 5.919 523 H GLY 73 HN GLY 73 86.095 -2.608 5.299 524 HA2 GLY 73 HA2 GLY 73 86.505 -4.872 6.724 525 HA3 GLY 73 HA1 GLY 73 85.014 -4.245 7.423 526 H GLU 74 HN GLU 74 84.031 -6.226 6.584 527 HA GLU 74 HA GLU 74 83.631 -6.299 3.662 528 HB2 GLU 74 HB2 GLU 74 83.133 -8.326 5.846 529 HB3 GLU 74 HB1 GLU 74 82.529 -8.534 4.200 530 HG2 GLU 74 HG2 GLU 74 84.820 -8.346 3.321 531 HG3 GLU 74 HG1 GLU 74 85.438 -8.095 4.952 532 H VAL 75 HN VAL 75 81.383 -6.886 2.949 533 HA VAL 75 HA VAL 75 79.292 -5.551 4.571 534 HB VAL 75 HB VAL 75 79.984 -5.061 1.667 535 HG11 VAL 75 HG11 VAL 75 77.922 -3.572 1.695 536 HG12 VAL 75 HG12 VAL 75 77.458 -4.376 3.194 537 HG13 VAL 75 HG13 VAL 75 77.581 -5.301 1.699 538 HG21 VAL 75 HG21 VAL 75 79.818 -2.646 2.541 539 HG22 VAL 75 HG22 VAL 75 81.208 -3.597 3.066 540 HG23 VAL 75 HG23 VAL 75 79.845 -3.358 4.156 541 H THR 76 HN THR 76 77.382 -6.643 4.660 542 HA THR 76 HA THR 76 76.885 -8.708 2.588 543 HB THR 76 HB THR 76 76.656 -9.088 5.579 544 HG1 THR 76 HG1 THR 76 78.459 -9.722 3.662 545 HG21 THR 76 HG21 THR 76 74.734 -10.157 4.738 546 HG22 THR 76 HG22 THR 76 75.939 -11.447 4.763 547 HG23 THR 76 HG23 THR 76 75.540 -10.642 3.247 548 H PHE 77 HN PHE 77 74.990 -8.616 1.700 549 HA PHE 77 HA PHE 77 72.701 -7.368 3.105 550 HB2 PHE 77 HB2 PHE 77 73.103 -5.605 1.671 551 HB3 PHE 77 HB1 PHE 77 73.941 -6.615 0.497 552 HD1 PHE 77 HD1 PHE 77 70.493 -6.771 1.996 553 HD2 PHE 77 HD2 PHE 77 72.861 -6.449 -1.574 554 HE1 PHE 77 HE1 PHE 77 68.434 -6.846 0.621 555 HE2 PHE 77 HE2 PHE 77 70.805 -6.536 -2.944 556 HZ PHE 77 HZ PHE 77 68.588 -6.731 -1.851 557 H ALA 78 HN ALA 78 70.793 -8.430 2.854 558 HA ALA 78 HA ALA 78 70.374 -10.331 0.744 559 HB1 ALA 78 HB1 ALA 78 70.660 -11.472 3.524 560 HB2 ALA 78 HB2 ALA 78 71.924 -11.564 2.299 561 HB3 ALA 78 HB3 ALA 78 70.374 -12.356 2.024 562 H CYS 79 HN CYS 79 68.270 -11.179 0.714 563 HA CYS 79 HA CYS 79 66.426 -10.553 2.845 564 HB2 CYS 79 HB2 CYS 79 65.002 -9.072 1.591 565 HB3 CYS 79 HB1 CYS 79 66.636 -8.403 1.568 566 HG CYS 79 HG CYS 79 66.500 -8.497 -0.893 567 H ARG 80 HN ARG 80 64.390 -10.565 0.416 568 HA ARG 80 HA ARG 80 63.653 -13.264 0.704 569 HB2 ARG 80 HB2 ARG 80 63.018 -11.443 -1.627 570 HB3 ARG 80 HB1 ARG 80 62.118 -12.879 -1.147 571 HG2 ARG 80 HG2 ARG 80 62.485 -10.444 0.627 572 HG3 ARG 80 HG1 ARG 80 61.079 -10.709 -0.396 573 HD2 ARG 80 HD2 ARG 80 61.980 -12.389 1.958 574 HD3 ARG 80 HD1 ARG 80 60.492 -11.472 1.799 575 HE ARG 80 HE ARG 80 61.011 -14.097 0.704 576 HH11 ARG 80 HH21 ARG 80 58.362 -13.343 1.834 577 HH12 ARG 80 HH22 ARG 80 57.385 -13.119 0.423 578 HH21 ARG 80 HH11 ARG 80 60.084 -12.892 -1.739 579 HH22 ARG 80 HH12 ARG 80 58.358 -12.876 -1.596 580 H ASP 81 HN ASP 81 65.386 -14.624 0.367 581 HA ASP 81 HA ASP 81 67.022 -15.790 -0.789 582 HB2 ASP 81 HB2 ASP 81 64.709 -16.606 -1.603 583 HB3 ASP 81 HB1 ASP 81 65.057 -15.705 -3.077 584 H ALA 82 HN ALA 82 66.855 -12.774 -1.204 585 HA ALA 82 HA ALA 82 68.376 -12.613 -3.747 586 HB1 ALA 82 HB1 ALA 82 67.767 -10.002 -2.740 587 HB2 ALA 82 HB2 ALA 82 66.304 -10.968 -2.586 588 HB3 ALA 82 HB3 ALA 82 67.069 -10.793 -4.154 589 H VAL 83 HN VAL 83 70.072 -13.654 -2.475 590 HA VAL 83 HA VAL 83 71.357 -12.199 -0.343 591 HB VAL 83 HB VAL 83 71.965 -14.738 -1.853 592 HG11 VAL 83 HG11 VAL 83 73.784 -15.028 -0.064 593 HG12 VAL 83 HG12 VAL 83 73.627 -13.298 0.233 594 HG13 VAL 83 HG13 VAL 83 74.153 -13.872 -1.348 595 HG21 VAL 83 HG21 VAL 83 70.153 -14.497 -0.008 596 HG22 VAL 83 HG22 VAL 83 71.512 -14.378 1.110 597 HG23 VAL 83 HG23 VAL 83 71.304 -15.827 0.126 598 H ALA 84 HN ALA 84 73.497 -11.398 -0.362 599 HA ALA 84 HA ALA 84 74.950 -11.054 -2.823 600 HB1 ALA 84 HB1 ALA 84 74.833 -8.579 -2.825 601 HB2 ALA 84 HB2 ALA 84 73.616 -8.660 -1.551 602 HB3 ALA 84 HB3 ALA 84 73.266 -9.327 -3.144 603 H SER 85 HN SER 85 76.728 -9.273 -2.410 604 HA SER 85 HA SER 85 77.669 -9.103 0.327 605 HB2 SER 85 HB2 SER 85 79.868 -10.173 -0.230 606 HB3 SER 85 HB1 SER 85 78.518 -11.306 -0.209 607 HG SER 85 HG SER 85 78.715 -11.579 -2.297 608 H ALA 86 HN ALA 86 80.092 -8.130 0.117 609 HA ALA 86 HA ALA 86 80.753 -6.589 -2.141 610 HB1 ALA 86 HB1 ALA 86 80.117 -4.321 -0.790 611 HB2 ALA 86 HB2 ALA 86 78.788 -5.360 -0.281 612 HB3 ALA 86 HB3 ALA 86 79.053 -5.051 -1.988 613 H ARG 87 HN ARG 87 82.419 -4.900 -1.616 614 HA ARG 87 HA ARG 87 83.853 -5.539 0.911 615 HB2 ARG 87 HB2 ARG 87 85.023 -5.108 -1.853 616 HB3 ARG 87 HB1 ARG 87 85.961 -5.289 -0.369 617 HG2 ARG 87 HG2 ARG 87 85.014 -7.523 -0.011 618 HG3 ARG 87 HG1 ARG 87 84.019 -7.349 -1.458 619 HD2 ARG 87 HD2 ARG 87 86.106 -7.056 -2.799 620 HD3 ARG 87 HD1 ARG 87 87.047 -7.381 -1.347 621 HE ARG 87 HE ARG 87 85.484 -9.316 -2.886 622 HH11 ARG 87 HH21 ARG 87 88.064 -8.772 -0.757 623 HH12 ARG 87 HH22 ARG 87 88.006 -10.340 -0.023 624 HH21 ARG 87 HH11 ARG 87 85.048 -11.253 -1.587 625 HH22 ARG 87 HH12 ARG 87 86.290 -11.737 -0.481 626 H LEU 88 HN LEU 88 84.596 -3.866 2.040 627 HA LEU 88 HA LEU 88 84.392 -1.134 0.886 628 HB2 LEU 88 HB2 LEU 88 82.653 -1.469 2.566 629 HB3 LEU 88 HB1 LEU 88 83.837 -2.085 3.716 630 HG LEU 88 HG LEU 88 84.958 0.105 3.775 631 HD11 LEU 88 HD11 LEU 88 84.703 1.051 1.643 632 HD12 LEU 88 HD12 LEU 88 83.602 2.024 2.616 633 HD13 LEU 88 HD13 LEU 88 82.971 0.730 1.594 634 HD21 LEU 88 HD21 LEU 88 81.949 0.329 4.098 635 HD22 LEU 88 HD22 LEU 88 83.148 1.379 4.858 636 HD23 LEU 88 HD23 LEU 88 83.062 -0.326 5.300 637 H THR 89 HN THR 89 86.262 0.032 0.943 638 HA THR 89 HA THR 89 88.285 -0.561 2.956 639 HB THR 89 HB THR 89 88.694 -2.181 1.074 640 HG1 THR 89 HG1 THR 89 90.957 -1.040 0.784 641 HG21 THR 89 HG21 THR 89 87.960 -0.485 -0.688 642 HG22 THR 89 HG22 THR 89 89.436 -1.376 -1.049 643 HG23 THR 89 HG23 THR 89 89.532 0.285 -0.464 644 H VAL 90 HN VAL 90 89.841 1.028 3.226 645 HA VAL 90 HA VAL 90 89.256 3.601 1.858 646 HB VAL 90 HB VAL 90 88.825 3.546 4.307 647 HG11 VAL 90 HG11 VAL 90 91.807 3.316 4.708 648 HG12 VAL 90 HG12 VAL 90 90.783 1.880 4.688 649 HG13 VAL 90 HG13 VAL 90 90.516 3.137 5.896 650 HG21 VAL 90 HG21 VAL 90 89.644 5.601 3.035 651 HG22 VAL 90 HG22 VAL 90 91.247 5.250 3.680 652 HG23 VAL 90 HG23 VAL 90 89.917 5.624 4.776 653 H LEU 91 HN LEU 91 90.754 4.238 0.438 654 HA LEU 91 HA LEU 91 93.520 3.205 0.678 655 HB2 LEU 91 HB2 LEU 91 92.044 2.794 -1.427 656 HB3 LEU 91 HB1 LEU 91 92.317 4.494 -1.775 657 HG LEU 91 HG LEU 91 93.935 3.103 -2.978 658 HD11 LEU 91 HD11 LEU 91 95.523 4.401 -0.782 659 HD12 LEU 91 HD12 LEU 91 94.542 5.379 -1.875 660 HD13 LEU 91 HD13 LEU 91 95.833 4.367 -2.516 661 HD21 LEU 91 HD21 LEU 91 93.879 1.339 -0.971 662 HD22 LEU 91 HD22 LEU 91 95.292 2.253 -0.436 663 HD23 LEU 91 HD23 LEU 91 95.287 1.482 -2.020 664 H GLY 92 HN GLY 92 94.960 4.614 1.455 665 HA2 GLY 92 HA2 GLY 92 95.203 7.282 0.447 666 HA3 GLY 92 HA1 GLY 92 94.552 7.272 2.085 667 H LEU 93 HN LEU 93 96.739 8.530 2.218 668 HA LEU 93 HA LEU 93 98.995 6.709 2.739 669 HB2 LEU 93 HB2 LEU 93 99.011 9.733 2.449 670 HB3 LEU 93 HB1 LEU 93 100.411 8.667 2.490 671 HG LEU 93 HG LEU 93 98.280 8.763 0.340 672 HD11 LEU 93 HD11 LEU 93 99.994 10.577 0.293 673 HD12 LEU 93 HD12 LEU 93 100.102 9.507 -1.104 674 HD13 LEU 93 HD13 LEU 93 101.258 9.345 0.219 675 HD21 LEU 93 HD21 LEU 93 99.999 7.112 -0.759 676 HD22 LEU 93 HD22 LEU 93 98.854 6.483 0.423 677 HD23 LEU 93 HD23 LEU 93 100.520 6.818 0.901 678 HA PRO 94 HA PRO 94 98.352 7.234 7.047 679 HB2 PRO 94 HB2 PRO 94 101.039 8.018 7.754 680 HB3 PRO 94 HB1 PRO 94 100.286 6.429 7.938 681 HG2 PRO 94 HG2 PRO 94 102.188 7.341 5.928 682 HG3 PRO 94 HG1 PRO 94 101.687 5.694 6.328 683 HD2 PRO 94 HD2 PRO 94 100.986 7.045 3.999 684 HD3 PRO 94 HD1 PRO 94 100.123 5.641 4.650 685 H ASP 95 HN ASP 95 100.013 9.711 5.203 686 HA ASP 95 HA ASP 95 99.834 11.832 7.092 687 HB2 ASP 95 HB2 ASP 95 100.083 11.741 4.085 688 HB3 ASP 95 HB1 ASP 95 99.976 13.263 4.963 689 H GLY 96 HN GLY 96 98.196 13.222 7.565 690 HA2 GLY 96 HA2 GLY 96 95.520 12.580 6.538 691 HA3 GLY 96 HA1 GLY 96 95.896 13.605 7.919 692 H LEU 97 HN LEU 97 97.998 14.668 5.721 693 HA LEU 97 HA LEU 97 96.210 16.853 4.869 694 HB2 LEU 97 HB2 LEU 97 99.230 16.669 4.885 695 HB3 LEU 97 HB1 LEU 97 98.284 18.105 4.493 696 HG LEU 97 HG LEU 97 98.205 16.639 7.150 697 HD11 LEU 97 HD11 LEU 97 99.479 18.501 8.030 698 HD12 LEU 97 HD12 LEU 97 99.420 19.331 6.476 699 HD13 LEU 97 HD13 LEU 97 100.354 17.844 6.648 700 HD21 LEU 97 HD21 LEU 97 96.124 17.704 7.024 701 HD22 LEU 97 HD22 LEU 97 96.735 19.020 6.023 702 HD23 LEU 97 HD23 LEU 97 97.105 18.978 7.748 703 H GLU 98 HN GLU 98 95.725 17.245 2.814 704 HA GLU 98 HA GLU 98 97.154 15.761 0.676 705 HB2 GLU 98 HB2 GLU 98 94.957 14.727 1.100 706 HB3 GLU 98 HB1 GLU 98 94.172 16.281 0.830 707 HG2 GLU 98 HG2 GLU 98 95.064 16.338 -1.474 708 HG3 GLU 98 HG1 GLU 98 95.863 14.788 -1.199 709 H HIS 99 HN HIS 99 94.437 17.959 0.254 710 HA HIS 99 HA HIS 99 96.021 20.283 -0.256 711 HB2 HIS 99 HB2 HIS 99 96.628 18.902 -2.235 712 HB3 HIS 99 HB1 HIS 99 94.924 18.854 -2.685 713 HD1 HIS 99 HD1 HIS 99 96.777 21.879 -1.320 714 HD2 HIS 99 HD2 HIS 99 94.976 20.602 -4.855 715 HE1 HIS 99 HE1 HIS 99 96.796 23.867 -2.897 716 H HIS 100 HN HIS 100 94.731 21.971 0.062 717 HA HIS 100 HA HIS 100 92.193 22.353 -1.082 718 HB2 HIS 100 HB2 HIS 100 90.871 22.193 1.122 719 HB3 HIS 100 HB1 HIS 100 91.265 20.674 0.319 720 HD1 HIS 100 HD1 HIS 100 94.358 21.748 1.596 721 HD2 HIS 100 HD2 HIS 100 90.997 20.063 3.381 722 HE1 HIS 100 HE1 HIS 100 95.130 20.800 3.805 723 H HIS 101 HN HIS 101 93.938 24.175 -1.217 724 HA HIS 101 HA HIS 101 94.430 25.823 1.022 725 HB2 HIS 101 HB2 HIS 101 95.779 25.972 -1.013 726 HB3 HIS 101 HB1 HIS 101 94.381 26.553 -1.917 727 HD1 HIS 101 HD1 HIS 101 96.392 27.578 1.180 728 HD2 HIS 101 HD2 HIS 101 94.140 29.288 -1.880 729 HE1 HIS 101 HE1 HIS 101 96.562 30.090 1.478 730 H HIS 102 HN HIS 102 91.952 26.041 -1.539 731 HA HIS 102 HA HIS 102 90.062 27.218 0.270 732 HB2 HIS 102 HB2 HIS 102 91.457 29.214 -0.245 733 HB3 HIS 102 HB1 HIS 102 91.097 28.986 -1.957 734 HD1 HIS 102 HD1 HIS 102 88.914 29.931 -2.811 735 HD2 HIS 102 HD2 HIS 102 89.012 29.726 1.352 736 HE1 HIS 102 HE1 HIS 102 86.824 31.093 -1.985 737 H HIS 103 HN HIS 103 90.850 27.164 -3.217 738 HA HIS 103 HA HIS 103 88.075 26.463 -3.839 739 HB2 HIS 103 HB2 HIS 103 89.146 28.161 -5.223 740 HB3 HIS 103 HB1 HIS 103 90.450 27.046 -5.626 741 HD1 HIS 103 HD1 HIS 103 86.642 26.758 -5.687 742 HD2 HIS 103 HD2 HIS 103 89.937 26.009 -8.128 743 HE1 HIS 103 HE1 HIS 103 85.730 25.760 -7.838 744 H HIS 104 HN HIS 104 87.644 24.371 -3.465 745 HA HIS 104 HA HIS 104 89.606 22.320 -4.302 746 HB2 HIS 104 HB2 HIS 104 88.711 22.338 -1.928 747 HB3 HIS 104 HB1 HIS 104 87.138 21.906 -2.602 748 HD1 HIS 104 HD1 HIS 104 86.766 19.472 -3.146 749 HD2 HIS 104 HD2 HIS 104 90.800 20.366 -2.588 750 HE1 HIS 104 HE1 HIS 104 88.006 17.266 -3.237 Start of MODEL 17 1 H1 TRP 1 HT1 TRP 1 56.185 -7.164 -9.890 2 H2 TRP 1 HT2 TRP 1 55.205 -7.060 -8.505 3 H3 TRP 1 HT3 TRP 1 54.564 -6.685 -10.035 4 HA TRP 1 HA TRP 1 54.173 -9.017 -8.882 5 HB2 TRP 1 HB2 TRP 1 53.346 -8.062 -11.112 6 HB3 TRP 1 HB1 TRP 1 54.765 -8.809 -11.842 7 HD1 TRP 1 HD1 TRP 1 54.679 -11.335 -12.329 8 HE1 TRP 1 HE1 TRP 1 52.935 -13.192 -11.941 9 HE3 TRP 1 HE3 TRP 1 51.368 -8.834 -9.346 10 HZ2 TRP 1 HZ2 TRP 1 50.469 -13.570 -10.557 11 HZ3 TRP 1 HZ3 TRP 1 49.327 -9.970 -8.511 12 HH2 TRP 1 HH2 TRP 1 48.875 -12.334 -9.113 13 H ARG 2 HN ARG 2 57.147 -8.139 -10.536 14 HA ARG 2 HA ARG 2 58.229 -10.864 -10.294 15 HB2 ARG 2 HB2 ARG 2 59.336 -8.349 -11.569 16 HB3 ARG 2 HB1 ARG 2 60.201 -9.883 -11.491 17 HG2 ARG 2 HG2 ARG 2 58.356 -10.981 -12.723 18 HG3 ARG 2 HG1 ARG 2 57.511 -9.437 -12.822 19 HD2 ARG 2 HD2 ARG 2 60.298 -9.907 -13.912 20 HD3 ARG 2 HD1 ARG 2 58.835 -10.008 -14.887 21 HE ARG 2 HE ARG 2 58.762 -7.528 -13.627 22 HH11 ARG 2 HH11 ARG 2 58.995 -8.246 -16.667 23 HH12 ARG 2 HH12 ARG 2 60.371 -7.287 -17.102 24 HH21 ARG 2 HH21 ARG 2 61.326 -6.697 -13.821 25 HH22 ARG 2 HH22 ARG 2 61.687 -6.404 -15.490 26 H LEU 3 HN LEU 3 60.643 -10.869 -9.603 27 HA LEU 3 HA LEU 3 61.217 -9.000 -7.421 28 HB2 LEU 3 HB2 LEU 3 61.437 -10.636 -5.732 29 HB3 LEU 3 HB1 LEU 3 59.915 -11.027 -6.525 30 HG LEU 3 HG LEU 3 62.587 -12.394 -6.958 31 HD11 LEU 3 HD11 LEU 3 61.283 -14.381 -6.145 32 HD12 LEU 3 HD12 LEU 3 59.953 -13.287 -5.763 33 HD13 LEU 3 HD13 LEU 3 61.498 -13.122 -4.929 34 HD21 LEU 3 HD21 LEU 3 59.946 -12.613 -8.415 35 HD22 LEU 3 HD22 LEU 3 61.109 -13.941 -8.403 36 HD23 LEU 3 HD23 LEU 3 61.554 -12.385 -9.102 37 H GLU 4 HN GLU 4 62.274 -9.706 -10.109 38 HA GLU 4 HA GLU 4 64.830 -10.970 -9.698 39 HB2 GLU 4 HB2 GLU 4 63.731 -9.264 -11.950 40 HB3 GLU 4 HB1 GLU 4 65.287 -10.094 -11.993 41 HG2 GLU 4 HG2 GLU 4 64.200 -12.253 -11.746 42 HG3 GLU 4 HG1 GLU 4 62.630 -11.476 -11.535 43 H ILE 5 HN ILE 5 66.754 -9.961 -9.148 44 HA ILE 5 HA ILE 5 66.611 -7.277 -8.156 45 HB ILE 5 HB ILE 5 68.757 -7.618 -7.278 46 HG12 ILE 5 HG12 ILE 5 69.213 -9.677 -9.472 47 HG13 ILE 5 HG11 ILE 5 69.976 -8.089 -9.354 48 HG21 ILE 5 HG21 ILE 5 67.017 -9.322 -6.539 49 HG22 ILE 5 HG22 ILE 5 68.693 -9.791 -6.266 50 HG23 ILE 5 HG23 ILE 5 67.797 -10.467 -7.628 51 HD11 ILE 5 HD11 ILE 5 70.855 -8.826 -7.077 52 HD12 ILE 5 HD12 ILE 5 71.578 -9.610 -8.482 53 HD13 ILE 5 HD13 ILE 5 70.362 -10.459 -7.527 54 H LEU 6 HN LEU 6 66.820 -5.484 -9.351 55 HA LEU 6 HA LEU 6 67.541 -5.733 -12.124 56 HB2 LEU 6 HB2 LEU 6 66.818 -3.329 -10.454 57 HB3 LEU 6 HB1 LEU 6 66.936 -3.365 -12.210 58 HG LEU 6 HG LEU 6 65.218 -5.419 -11.919 59 HD11 LEU 6 HD11 LEU 6 63.551 -4.737 -10.117 60 HD12 LEU 6 HD12 LEU 6 64.809 -3.711 -9.445 61 HD13 LEU 6 HD13 LEU 6 65.043 -5.453 -9.526 62 HD21 LEU 6 HD21 LEU 6 64.567 -2.463 -11.885 63 HD22 LEU 6 HD22 LEU 6 63.338 -3.708 -12.114 64 HD23 LEU 6 HD23 LEU 6 64.649 -3.537 -13.281 65 H GLU 7 HN GLU 7 68.690 -3.310 -9.710 66 HA GLU 7 HA GLU 7 71.429 -3.668 -10.828 67 HB2 GLU 7 HB2 GLU 7 70.108 -1.055 -10.049 68 HB3 GLU 7 HB1 GLU 7 71.769 -1.252 -10.609 69 HG2 GLU 7 HG2 GLU 7 70.940 -2.164 -12.748 70 HG3 GLU 7 HG1 GLU 7 69.280 -1.947 -12.193 71 H LEU 8 HN LEU 8 72.795 -4.314 -9.332 72 HA LEU 8 HA LEU 8 72.355 -3.517 -6.514 73 HB2 LEU 8 HB2 LEU 8 72.127 -5.950 -6.982 74 HB3 LEU 8 HB1 LEU 8 73.768 -5.966 -7.615 75 HG LEU 8 HG LEU 8 74.664 -5.357 -5.430 76 HD11 LEU 8 HD11 LEU 8 72.890 -5.435 -3.481 77 HD12 LEU 8 HD12 LEU 8 71.752 -4.997 -4.754 78 HD13 LEU 8 HD13 LEU 8 73.114 -3.938 -4.385 79 HD21 LEU 8 HD21 LEU 8 74.332 -7.728 -5.791 80 HD22 LEU 8 HD22 LEU 8 72.624 -7.597 -5.380 81 HD23 LEU 8 HD23 LEU 8 73.847 -7.363 -4.135 82 H LEU 9 HN LEU 9 73.926 -2.332 -5.543 83 HA LEU 9 HA LEU 9 76.392 -1.776 -7.084 84 HB2 LEU 9 HB2 LEU 9 74.827 -0.265 -5.014 85 HB3 LEU 9 HB1 LEU 9 76.547 0.080 -5.202 86 HG LEU 9 HG LEU 9 76.214 0.531 -7.592 87 HD11 LEU 9 HD11 LEU 9 73.380 -0.269 -6.941 88 HD12 LEU 9 HD12 LEU 9 74.423 -0.879 -8.221 89 HD13 LEU 9 HD13 LEU 9 73.748 0.746 -8.331 90 HD21 LEU 9 HD21 LEU 9 76.013 2.434 -6.127 91 HD22 LEU 9 HD22 LEU 9 74.362 1.994 -5.693 92 HD23 LEU 9 HD23 LEU 9 74.723 2.562 -7.322 93 H LYS 10 HN LYS 10 78.205 -2.648 -6.532 94 HA LYS 10 HA LYS 10 78.774 -3.349 -3.728 95 HB2 LYS 10 HB2 LYS 10 79.680 -5.271 -5.858 96 HB3 LYS 10 HB1 LYS 10 79.390 -5.559 -4.152 97 HG2 LYS 10 HG2 LYS 10 76.928 -4.863 -5.665 98 HG3 LYS 10 HG1 LYS 10 77.700 -6.319 -6.227 99 HD2 LYS 10 HD2 LYS 10 76.138 -6.969 -4.556 100 HD3 LYS 10 HD1 LYS 10 77.727 -7.123 -3.837 101 HE2 LYS 10 HE2 LYS 10 77.417 -4.885 -2.771 102 HE3 LYS 10 HE1 LYS 10 75.790 -4.823 -3.442 103 HZ1 LYS 10 HZ1 LYS 10 75.044 -6.118 -1.825 104 HZ2 LYS 10 HZ2 LYS 10 76.548 -5.941 -1.056 105 HZ3 LYS 10 HZ3 LYS 10 76.263 -7.270 -2.074 106 H ASN 11 HN ASN 11 81.167 -4.283 -3.754 107 HA ASN 11 HA ASN 11 83.397 -3.694 -3.879 108 HB2 ASN 11 HB2 ASN 11 82.998 -4.535 -6.213 109 HB3 ASN 11 HB1 ASN 11 82.715 -2.865 -6.703 110 HD21 ASN 11 HD21 ASN 11 84.908 -4.387 -7.754 111 HD22 ASN 11 HD22 ASN 11 86.348 -3.692 -7.188 112 H ALA 12 HN ALA 12 83.944 -1.990 -2.658 113 HA ALA 12 HA ALA 12 83.945 0.640 -3.892 114 HB1 ALA 12 HB1 ALA 12 81.716 0.708 -3.081 115 HB2 ALA 12 HB2 ALA 12 82.684 1.677 -1.972 116 HB3 ALA 12 HB3 ALA 12 82.190 0.044 -1.518 117 H ALA 13 HN ALA 13 85.442 1.912 -3.218 118 HA ALA 13 HA ALA 13 86.915 1.359 -0.704 119 HB1 ALA 13 HB1 ALA 13 88.413 0.712 -2.474 120 HB2 ALA 13 HB2 ALA 13 88.914 2.324 -1.964 121 HB3 ALA 13 HB3 ALA 13 87.977 2.118 -3.444 122 H VAL 14 HN VAL 14 87.147 3.205 0.553 123 HA VAL 14 HA VAL 14 86.212 5.759 -0.649 124 HB VAL 14 HB VAL 14 85.299 6.256 1.651 125 HG11 VAL 14 HG11 VAL 14 83.917 5.507 -0.288 126 HG12 VAL 14 HG12 VAL 14 83.267 4.948 1.253 127 HG13 VAL 14 HG13 VAL 14 84.160 3.835 0.216 128 HG21 VAL 14 HG21 VAL 14 85.739 3.269 1.984 129 HG22 VAL 14 HG22 VAL 14 84.893 4.321 3.117 130 HG23 VAL 14 HG23 VAL 14 86.621 4.524 2.851 131 H ARG 15 HN ARG 15 87.439 7.368 -0.544 132 HA ARG 15 HA ARG 15 89.970 7.317 0.882 133 HB2 ARG 15 HB2 ARG 15 88.664 9.306 -0.976 134 HB3 ARG 15 HB1 ARG 15 90.173 9.667 -0.143 135 HG2 ARG 15 HG2 ARG 15 89.919 7.098 -1.698 136 HG3 ARG 15 HG1 ARG 15 90.231 8.603 -2.557 137 HD2 ARG 15 HD2 ARG 15 92.205 8.997 -1.076 138 HD3 ARG 15 HD1 ARG 15 91.926 7.428 -0.330 139 HE ARG 15 HE ARG 15 92.079 7.005 -3.085 140 HH11 ARG 15 HH11 ARG 15 93.936 6.778 -0.321 141 HH12 ARG 15 HH12 ARG 15 95.475 6.864 -1.111 142 HH21 ARG 15 HH21 ARG 15 94.142 7.710 -4.198 143 HH22 ARG 15 HH22 ARG 15 95.593 7.400 -3.304 144 H ALA 16 HN ALA 16 90.614 8.864 2.461 145 HA ALA 16 HA ALA 16 88.766 9.353 4.496 146 HB1 ALA 16 HB1 ALA 16 90.452 10.807 5.477 147 HB2 ALA 16 HB2 ALA 16 91.278 10.946 3.926 148 HB3 ALA 16 HB3 ALA 16 91.246 9.399 4.771 149 H GLY 17 HN GLY 17 87.191 10.841 4.756 150 HA2 GLY 17 HA2 GLY 17 85.985 12.803 4.500 151 HA3 GLY 17 HA1 GLY 17 87.380 13.501 3.687 152 H ALA 18 HN ALA 18 85.610 10.559 2.810 153 HA ALA 18 HA ALA 18 84.774 11.854 0.266 154 HB1 ALA 18 HB1 ALA 18 85.605 8.968 0.606 155 HB2 ALA 18 HB2 ALA 18 86.687 10.238 0.034 156 HB3 ALA 18 HB3 ALA 18 85.253 9.812 -0.901 157 H GLN 19 HN GLN 19 82.806 11.199 -0.628 158 HA GLN 19 HA GLN 19 80.941 9.904 1.271 159 HB2 GLN 19 HB2 GLN 19 80.407 12.208 0.400 160 HB3 GLN 19 HB1 GLN 19 80.294 11.510 -1.217 161 HG2 GLN 19 HG2 GLN 19 78.540 9.952 -0.405 162 HG3 GLN 19 HG1 GLN 19 78.630 10.701 1.187 163 HE21 GLN 19 HE21 GLN 19 76.649 11.819 1.318 164 HE22 GLN 19 HE22 GLN 19 76.122 12.952 0.169 165 H ALA 20 HN ALA 20 79.536 8.237 0.517 166 HA ALA 20 HA ALA 20 80.024 7.127 -2.155 167 HB1 ALA 20 HB1 ALA 20 80.597 5.636 0.414 168 HB2 ALA 20 HB2 ALA 20 81.719 5.985 -0.901 169 HB3 ALA 20 HB3 ALA 20 80.398 4.846 -1.152 170 H CYS 21 HN CYS 21 78.341 5.867 -2.926 171 HA CYS 21 HA CYS 21 75.950 5.673 -1.171 172 HB2 CYS 21 HB2 CYS 21 76.102 6.430 -4.094 173 HB3 CYS 21 HB1 CYS 21 74.604 6.053 -3.243 174 HG CYS 21 HG CYS 21 76.440 8.455 -2.415 175 H PHE 22 HN PHE 22 74.628 3.949 -1.390 176 HA PHE 22 HA PHE 22 75.325 1.749 -3.247 177 HB2 PHE 22 HB2 PHE 22 74.906 1.416 -0.255 178 HB3 PHE 22 HB1 PHE 22 75.135 0.116 -1.420 179 HD1 PHE 22 HD2 PHE 22 76.748 2.926 0.333 180 HD2 PHE 22 HD1 PHE 22 77.307 -0.347 -2.391 181 HE1 PHE 22 HE2 PHE 22 79.203 3.148 0.575 182 HE2 PHE 22 HE1 PHE 22 79.762 -0.128 -2.146 183 HZ PHE 22 HZ PHE 22 80.710 1.622 -0.662 184 H THR 23 HN THR 23 73.453 1.058 -4.191 185 HA THR 23 HA THR 23 70.938 1.146 -2.653 186 HB THR 23 HB THR 23 70.865 3.258 -3.808 187 HG1 THR 23 HG1 THR 23 68.972 2.012 -3.873 188 HG21 THR 23 HG21 THR 23 72.401 3.262 -5.549 189 HG22 THR 23 HG22 THR 23 70.913 3.012 -6.459 190 HG23 THR 23 HG23 THR 23 71.957 1.643 -6.092 191 H CYS 24 HN CYS 24 69.395 -0.361 -3.322 192 HA CYS 24 HA CYS 24 70.227 -2.178 -5.521 193 HB2 CYS 24 HB2 CYS 24 70.821 -3.291 -3.472 194 HB3 CYS 24 HB1 CYS 24 69.246 -2.943 -2.768 195 HG CYS 24 HG CYS 24 69.116 -5.358 -3.742 196 H THR 25 HN THR 25 68.739 -1.335 -6.939 197 HA THR 25 HA THR 25 65.968 -1.023 -6.270 198 HB THR 25 HB THR 25 67.223 -1.303 -9.018 199 HG1 THR 25 HG1 THR 25 66.572 1.138 -7.824 200 HG21 THR 25 HG21 THR 25 65.170 0.390 -9.361 201 HG22 THR 25 HG22 THR 25 64.516 -0.520 -8.002 202 HG23 THR 25 HG23 THR 25 64.960 -1.355 -9.491 203 H LEU 26 HN LEU 26 64.692 -2.708 -5.802 204 HA LEU 26 HA LEU 26 65.122 -5.287 -7.201 205 HB2 LEU 26 HB2 LEU 26 63.921 -4.689 -4.494 206 HB3 LEU 26 HB1 LEU 26 63.993 -6.289 -5.227 207 HG LEU 26 HG LEU 26 66.410 -4.545 -4.646 208 HD11 LEU 26 HD11 LEU 26 65.340 -6.985 -3.195 209 HD12 LEU 26 HD12 LEU 26 65.274 -5.328 -2.594 210 HD13 LEU 26 HD13 LEU 26 66.833 -6.127 -2.806 211 HD21 LEU 26 HD21 LEU 26 67.151 -5.962 -6.333 212 HD22 LEU 26 HD22 LEU 26 66.005 -7.241 -5.915 213 HD23 LEU 26 HD23 LEU 26 67.445 -6.989 -4.930 214 H SER 27 HN SER 27 63.444 -6.397 -8.063 215 HA SER 27 HA SER 27 61.208 -4.871 -8.975 216 HB2 SER 27 HB2 SER 27 62.079 -7.728 -9.255 217 HB3 SER 27 HB1 SER 27 60.459 -7.256 -9.767 218 HG SER 27 HG SER 27 61.759 -6.946 -11.507 219 H GLU 28 HN GLU 28 61.775 -6.495 -6.055 220 HA GLU 28 HA GLU 28 58.862 -6.472 -5.464 221 HB2 GLU 28 HB2 GLU 28 59.566 -8.804 -5.863 222 HB3 GLU 28 HB1 GLU 28 60.816 -8.637 -4.632 223 HG2 GLU 28 HG2 GLU 28 58.919 -9.722 -3.611 224 HG3 GLU 28 HG1 GLU 28 58.980 -8.086 -2.972 225 H ALA 29 HN ALA 29 58.302 -5.618 -3.551 226 HA ALA 29 HA ALA 29 60.352 -4.271 -2.006 227 HB1 ALA 29 HB1 ALA 29 58.124 -3.226 -2.531 228 HB2 ALA 29 HB2 ALA 29 58.551 -3.220 -0.820 229 HB3 ALA 29 HB3 ALA 29 57.388 -4.395 -1.434 230 H VAL 30 HN VAL 30 60.942 -4.668 0.075 231 HA VAL 30 HA VAL 30 59.988 -7.199 1.276 232 HB VAL 30 HB VAL 30 62.778 -6.046 1.379 233 HG11 VAL 30 HG11 VAL 30 61.630 -8.716 2.250 234 HG12 VAL 30 HG12 VAL 30 62.141 -7.420 3.333 235 HG13 VAL 30 HG13 VAL 30 63.330 -8.254 2.333 236 HG21 VAL 30 HG21 VAL 30 62.191 -6.806 -0.882 237 HG22 VAL 30 HG22 VAL 30 61.588 -8.330 -0.231 238 HG23 VAL 30 HG23 VAL 30 63.305 -7.951 -0.142 239 HA PRO 31 HA PRO 31 58.911 -4.341 4.584 240 HB2 PRO 31 HB2 PRO 31 58.844 -6.438 6.593 241 HB3 PRO 31 HB1 PRO 31 57.483 -5.614 5.824 242 HG2 PRO 31 HG2 PRO 31 58.405 -8.285 5.388 243 HG3 PRO 31 HG1 PRO 31 57.044 -7.460 4.619 244 HD2 PRO 31 HD2 PRO 31 59.591 -8.148 3.439 245 HD3 PRO 31 HD1 PRO 31 58.210 -7.331 2.672 246 H VAL 32 HN VAL 32 59.735 -5.035 7.325 247 HA VAL 32 HA VAL 32 62.658 -4.541 7.091 248 HB VAL 32 HB VAL 32 60.724 -3.657 9.254 249 HG11 VAL 32 HG11 VAL 32 63.708 -3.358 8.865 250 HG12 VAL 32 HG12 VAL 32 62.852 -4.008 10.263 251 HG13 VAL 32 HG13 VAL 32 62.789 -2.280 9.915 252 HG21 VAL 32 HG21 VAL 32 60.362 -2.321 7.284 253 HG22 VAL 32 HG22 VAL 32 62.095 -2.189 6.984 254 HG23 VAL 32 HG23 VAL 32 61.374 -1.365 8.367 255 H GLY 33 HN GLY 33 63.517 -6.512 7.375 256 HA2 GLY 33 HA2 GLY 33 64.008 -7.717 9.728 257 HA3 GLY 33 HA1 GLY 33 62.438 -8.396 9.305 258 H GLU 34 HN GLU 34 62.574 -8.728 6.603 259 HA GLU 34 HA GLU 34 64.219 -11.053 6.371 260 HB2 GLU 34 HB2 GLU 34 62.559 -9.517 4.374 261 HB3 GLU 34 HB1 GLU 34 63.452 -10.976 3.951 262 HG2 GLU 34 HG2 GLU 34 62.228 -12.238 5.670 263 HG3 GLU 34 HG1 GLU 34 61.360 -10.777 6.140 264 H ALA 35 HN ALA 35 64.442 -7.742 5.127 265 HA ALA 35 HA ALA 35 66.857 -8.271 3.629 266 HB1 ALA 35 HB1 ALA 35 65.076 -6.457 3.167 267 HB2 ALA 35 HB2 ALA 35 66.772 -5.995 3.012 268 HB3 ALA 35 HB3 ALA 35 65.863 -5.547 4.456 269 H SER 36 HN SER 36 68.972 -7.976 4.294 270 HA SER 36 HA SER 36 69.395 -6.969 7.056 271 HB2 SER 36 HB2 SER 36 70.838 -9.200 5.608 272 HB3 SER 36 HB1 SER 36 71.224 -8.604 7.220 273 HG SER 36 HG SER 36 69.737 -10.518 6.933 274 H TRP 37 HN TRP 37 70.831 -5.387 7.273 275 HA TRP 37 HA TRP 37 72.834 -4.925 5.141 276 HB2 TRP 37 HB2 TRP 37 71.051 -2.860 6.444 277 HB3 TRP 37 HB1 TRP 37 72.456 -2.478 5.454 278 HD1 TRP 37 HD1 TRP 37 68.914 -3.842 5.250 279 HE1 TRP 37 HE1 TRP 37 68.177 -3.894 2.781 280 HE3 TRP 37 HE3 TRP 37 73.336 -2.660 2.982 281 HZ2 TRP 37 HZ2 TRP 37 69.309 -3.488 0.187 282 HZ3 TRP 37 HZ3 TRP 37 73.477 -2.497 0.512 283 HH2 TRP 37 HH2 TRP 37 71.471 -2.909 -0.887 284 H TYR 38 HN TYR 38 74.583 -5.580 6.283 285 HA TYR 38 HA TYR 38 75.434 -3.863 8.480 286 HB2 TYR 38 HB2 TYR 38 75.259 -6.855 8.888 287 HB3 TYR 38 HB1 TYR 38 75.997 -5.694 10.003 288 HD1 TYR 38 HD2 TYR 38 72.808 -6.781 8.439 289 HD2 TYR 38 HD1 TYR 38 74.647 -4.318 11.438 290 HE1 TYR 38 HE2 TYR 38 70.584 -6.354 9.447 291 HE2 TYR 38 HE1 TYR 38 72.421 -3.887 12.447 292 HH TYR 38 HH TYR 38 70.197 -4.979 12.523 293 H ILE 39 HN ILE 39 77.585 -3.988 8.943 294 HA ILE 39 HA ILE 39 79.297 -5.453 7.036 295 HB ILE 39 HB ILE 39 80.731 -3.582 6.764 296 HG12 ILE 39 HG12 ILE 39 80.627 -2.736 9.182 297 HG13 ILE 39 HG11 ILE 39 80.645 -1.500 7.949 298 HG21 ILE 39 HG21 ILE 39 77.856 -2.641 6.702 299 HG22 ILE 39 HG22 ILE 39 78.729 -3.460 5.416 300 HG23 ILE 39 HG23 ILE 39 79.196 -1.832 5.893 301 HD11 ILE 39 HD11 ILE 39 78.163 -2.481 9.381 302 HD12 ILE 39 HD12 ILE 39 78.193 -1.236 8.145 303 HD13 ILE 39 HD13 ILE 39 78.989 -0.967 9.684 304 H ASN 40 HN ASN 40 80.869 -6.747 8.070 305 HA ASN 40 HA ASN 40 80.742 -6.941 10.872 306 HB2 ASN 40 HB2 ASN 40 81.448 -8.797 9.391 307 HB3 ASN 40 HB1 ASN 40 82.913 -7.899 8.992 308 HD21 ASN 40 HD21 ASN 40 81.182 -9.430 11.729 309 HD22 ASN 40 HD22 ASN 40 82.566 -9.641 12.687 310 H GLY 41 HN GLY 41 81.611 -5.740 12.343 311 HA2 GLY 41 HA2 GLY 41 83.649 -4.774 13.296 312 HA3 GLY 41 HA1 GLY 41 83.987 -4.082 11.711 313 H ALA 42 HN ALA 42 80.667 -3.974 12.204 314 HA ALA 42 HA ALA 42 80.465 -1.698 13.913 315 HB1 ALA 42 HB1 ALA 42 80.882 -1.255 10.985 316 HB2 ALA 42 HB2 ALA 42 81.423 -0.281 12.349 317 HB3 ALA 42 HB3 ALA 42 79.742 -0.203 11.824 318 H ALA 43 HN ALA 43 78.660 -2.703 14.761 319 HA ALA 43 HA ALA 43 76.538 -3.750 13.154 320 HB1 ALA 43 HB1 ALA 43 75.268 -3.707 15.340 321 HB2 ALA 43 HB2 ALA 43 76.693 -2.971 16.075 322 HB3 ALA 43 HB3 ALA 43 76.792 -4.594 15.391 323 H VAL 44 HN VAL 44 74.729 -2.753 12.374 324 HA VAL 44 HA VAL 44 74.668 0.163 12.513 325 HB VAL 44 HB VAL 44 72.908 -1.750 10.964 326 HG11 VAL 44 HG11 VAL 44 72.389 0.283 9.636 327 HG12 VAL 44 HG12 VAL 44 73.362 1.245 10.746 328 HG13 VAL 44 HG13 VAL 44 71.885 0.469 11.314 329 HG21 VAL 44 HG21 VAL 44 75.206 -1.975 10.237 330 HG22 VAL 44 HG22 VAL 44 75.431 -0.226 10.251 331 HG23 VAL 44 HG23 VAL 44 74.371 -0.969 9.053 332 H GLN 45 HN GLN 45 73.845 0.922 14.307 333 HA GLN 45 HA GLN 45 71.529 -0.285 15.609 334 HB2 GLN 45 HB2 GLN 45 73.064 2.217 16.358 335 HB3 GLN 45 HB1 GLN 45 72.067 1.224 17.417 336 HG2 GLN 45 HG2 GLN 45 73.660 -0.707 16.863 337 HG3 GLN 45 HG1 GLN 45 74.725 0.516 16.172 338 HE21 GLN 45 HE21 GLN 45 72.695 0.535 19.163 339 HE22 GLN 45 HE22 GLN 45 73.984 0.926 20.197 340 HA PRO 46 HA PRO 46 68.461 2.292 13.737 341 HB2 PRO 46 HB2 PRO 46 67.265 3.318 16.167 342 HB3 PRO 46 HB1 PRO 46 66.673 2.011 15.132 343 HG2 PRO 46 HG2 PRO 46 68.065 1.850 17.694 344 HG3 PRO 46 HG1 PRO 46 67.162 0.598 16.830 345 HD2 PRO 46 HD2 PRO 46 69.924 0.634 17.115 346 HD3 PRO 46 HD1 PRO 46 69.062 -0.263 15.857 347 H ASP 47 HN ASP 47 70.457 3.565 16.311 348 HA ASP 47 HA ASP 47 70.058 6.346 15.433 349 HB2 ASP 47 HB2 ASP 47 70.050 5.676 17.881 350 HB3 ASP 47 HB1 ASP 47 71.772 5.343 17.708 351 H ASP 48 HN ASP 48 71.729 3.960 14.186 352 HA ASP 48 HA ASP 48 74.404 4.316 14.189 353 HB2 ASP 48 HB2 ASP 48 74.363 3.789 11.720 354 HB3 ASP 48 HB1 ASP 48 73.451 2.678 12.738 355 H SER 49 HN SER 49 75.512 6.099 14.315 356 HA SER 49 HA SER 49 74.649 8.597 13.209 357 HB2 SER 49 HB2 SER 49 76.009 8.131 15.360 358 HB3 SER 49 HB1 SER 49 77.403 8.088 14.286 359 HG SER 49 HG SER 49 75.896 10.199 15.143 360 H ASP 50 HN ASP 50 77.512 6.528 12.520 361 HA ASP 50 HA ASP 50 78.278 8.199 10.296 362 HB2 ASP 50 HB2 ASP 50 79.322 5.566 11.340 363 HB3 ASP 50 HB1 ASP 50 80.020 6.418 9.964 364 H TRP 51 HN TRP 51 76.558 5.159 10.693 365 HA TRP 51 HA TRP 51 76.404 4.849 7.745 366 HB2 TRP 51 HB2 TRP 51 75.835 2.870 9.971 367 HB3 TRP 51 HB1 TRP 51 75.678 2.537 8.248 368 HD1 TRP 51 HD1 TRP 51 77.960 2.582 6.781 369 HE1 TRP 51 HE1 TRP 51 80.393 2.076 7.468 370 HE3 TRP 51 HE3 TRP 51 77.550 2.995 11.856 371 HZ2 TRP 51 HZ2 TRP 51 81.957 1.874 9.852 372 HZ3 TRP 51 HZ3 TRP 51 79.526 2.639 13.308 373 HH2 TRP 51 HH2 TRP 51 81.727 2.079 12.314 374 H THR 52 HN THR 52 74.414 4.684 6.728 375 HA THR 52 HA THR 52 71.993 5.118 8.393 376 HB THR 52 HB THR 52 72.408 6.438 5.706 377 HG1 THR 52 HG1 THR 52 73.182 7.185 8.261 378 HG21 THR 52 HG21 THR 52 70.496 7.166 7.925 379 HG22 THR 52 HG22 THR 52 70.081 5.964 6.702 380 HG23 THR 52 HG23 THR 52 70.423 7.627 6.224 381 H VAL 53 HN VAL 53 70.237 3.947 7.780 382 HA VAL 53 HA VAL 53 70.410 2.386 5.270 383 HB VAL 53 HB VAL 53 70.944 0.795 6.982 384 HG11 VAL 53 HG11 VAL 53 69.557 0.542 9.014 385 HG12 VAL 53 HG12 VAL 53 68.576 1.916 8.510 386 HG13 VAL 53 HG13 VAL 53 70.275 2.149 8.922 387 HG21 VAL 53 HG21 VAL 53 69.150 -0.764 6.766 388 HG22 VAL 53 HG22 VAL 53 69.061 0.240 5.318 389 HG23 VAL 53 HG23 VAL 53 67.947 0.519 6.657 390 H THR 54 HN THR 54 68.605 2.518 4.069 391 HA THR 54 HA THR 54 66.072 3.295 5.348 392 HB THR 54 HB THR 54 65.716 5.118 3.827 393 HG1 THR 54 HG1 THR 54 66.886 5.389 2.108 394 HG21 THR 54 HG21 THR 54 67.359 6.678 4.646 395 HG22 THR 54 HG22 THR 54 68.516 5.378 4.929 396 HG23 THR 54 HG23 THR 54 67.063 5.497 5.921 397 H ALA 55 HN ALA 55 64.221 2.922 4.047 398 HA ALA 55 HA ALA 55 64.586 1.416 1.555 399 HB1 ALA 55 HB1 ALA 55 63.493 -0.529 2.279 400 HB2 ALA 55 HB2 ALA 55 62.847 0.253 3.723 401 HB3 ALA 55 HB3 ALA 55 64.563 -0.144 3.626 402 H ASP 56 HN ASP 56 63.416 2.644 0.240 403 HA ASP 56 HA ASP 56 60.693 3.490 1.077 404 HB2 ASP 56 HB2 ASP 56 62.302 5.330 0.529 405 HB3 ASP 56 HB1 ASP 56 62.444 4.668 -1.097 406 H GLY 57 HN GLY 57 59.385 1.869 0.372 407 HA2 GLY 57 HA2 GLY 57 58.188 0.593 -1.138 408 HA3 GLY 57 HA1 GLY 57 58.941 1.528 -2.428 409 H SER 58 HN SER 58 59.793 0.092 -3.821 410 HA SER 58 HA SER 58 61.164 -2.299 -2.790 411 HB2 SER 58 HB2 SER 58 60.636 -1.633 -5.678 412 HB3 SER 58 HB1 SER 58 60.968 -3.208 -4.965 413 HG SER 58 HG SER 58 58.939 -3.372 -4.429 414 H HIS 59 HN HIS 59 62.431 0.186 -2.353 415 HA HIS 59 HA HIS 59 64.875 -0.195 -3.977 416 HB2 HIS 59 HB2 HIS 59 63.701 2.500 -3.253 417 HB3 HIS 59 HB1 HIS 59 65.137 2.197 -4.229 418 HD1 HIS 59 HD1 HIS 59 64.739 1.095 -6.612 419 HD2 HIS 59 HD2 HIS 59 61.267 2.282 -4.633 420 HE1 HIS 59 HE1 HIS 59 62.892 1.113 -8.349 421 H HIS 60 HN HIS 60 66.752 -0.065 -2.818 422 HA HIS 60 HA HIS 60 66.529 0.590 0.077 423 HB2 HIS 60 HB2 HIS 60 68.375 -1.287 -1.409 424 HB3 HIS 60 HB1 HIS 60 68.648 -0.798 0.260 425 HD1 HIS 60 HD1 HIS 60 67.402 -3.590 -1.344 426 HD2 HIS 60 HD2 HIS 60 65.752 -1.136 1.594 427 HE1 HIS 60 HE1 HIS 60 65.612 -4.960 -0.189 428 H ALA 61 HN ALA 61 68.382 1.760 1.032 429 HA ALA 61 HA ALA 61 70.314 2.921 -0.785 430 HB1 ALA 61 HB1 ALA 61 69.637 5.181 -0.664 431 HB2 ALA 61 HB2 ALA 61 68.446 4.843 0.590 432 HB3 ALA 61 HB3 ALA 61 68.170 4.284 -1.058 433 H LEU 62 HN LEU 62 71.881 2.133 0.588 434 HA LEU 62 HA LEU 62 72.015 3.303 3.305 435 HB2 LEU 62 HB2 LEU 62 72.043 0.919 3.470 436 HB3 LEU 62 HB1 LEU 62 73.204 0.769 2.154 437 HG LEU 62 HG LEU 62 74.111 2.456 4.450 438 HD11 LEU 62 HD11 LEU 62 73.858 -0.555 4.743 439 HD12 LEU 62 HD12 LEU 62 72.924 0.641 5.642 440 HD13 LEU 62 HD13 LEU 62 74.670 0.534 5.870 441 HD21 LEU 62 HD21 LEU 62 76.225 1.609 3.892 442 HD22 LEU 62 HD22 LEU 62 75.414 1.589 2.328 443 HD23 LEU 62 HD23 LEU 62 75.573 0.099 3.255 444 H LEU 63 HN LEU 63 73.594 4.774 3.696 445 HA LEU 63 HA LEU 63 75.755 5.057 1.663 446 HB2 LEU 63 HB2 LEU 63 75.693 7.553 2.318 447 HB3 LEU 63 HB1 LEU 63 74.384 6.931 1.309 448 HG LEU 63 HG LEU 63 73.050 6.573 3.466 449 HD11 LEU 63 HD11 LEU 63 74.660 6.672 5.198 450 HD12 LEU 63 HD12 LEU 63 73.858 8.234 5.298 451 HD13 LEU 63 HD13 LEU 63 75.433 8.105 4.523 452 HD21 LEU 63 HD21 LEU 63 72.346 8.905 3.540 453 HD22 LEU 63 HD22 LEU 63 72.698 8.457 1.871 454 HD23 LEU 63 HD23 LEU 63 73.858 9.415 2.792 455 H LEU 64 HN LEU 64 77.338 6.771 2.574 456 HA LEU 64 HA LEU 64 78.139 6.283 5.339 457 HB2 LEU 64 HB2 LEU 64 79.332 4.574 3.857 458 HB3 LEU 64 HB1 LEU 64 80.087 5.944 3.043 459 HG LEU 64 HG LEU 64 80.995 6.709 5.228 460 HD11 LEU 64 HD11 LEU 64 79.474 4.301 6.180 461 HD12 LEU 64 HD12 LEU 64 79.722 5.858 6.968 462 HD13 LEU 64 HD13 LEU 64 81.014 4.665 6.961 463 HD21 LEU 64 HD21 LEU 64 82.270 5.258 3.631 464 HD22 LEU 64 HD22 LEU 64 81.724 3.846 4.536 465 HD23 LEU 64 HD23 LEU 64 82.766 5.040 5.310 466 H ARG 65 HN ARG 65 78.373 8.351 6.080 467 HA ARG 65 HA ARG 65 78.588 10.527 4.286 468 HB2 ARG 65 HB2 ARG 65 79.103 11.861 6.382 469 HB3 ARG 65 HB1 ARG 65 77.621 10.913 6.463 470 HG2 ARG 65 HG2 ARG 65 78.787 9.138 7.686 471 HG3 ARG 65 HG1 ARG 65 80.300 10.028 7.582 472 HD2 ARG 65 HD2 ARG 65 79.349 10.435 9.761 473 HD3 ARG 65 HD1 ARG 65 79.199 11.916 8.819 474 HE ARG 65 HE ARG 65 76.851 10.403 8.468 475 HH11 ARG 65 HH21 ARG 65 78.531 12.452 10.676 476 HH12 ARG 65 HH22 ARG 65 77.154 12.730 11.690 477 HH21 ARG 65 HH11 ARG 65 75.071 10.626 9.880 478 HH22 ARG 65 HH12 ARG 65 75.193 11.691 11.241 479 H SER 66 HN SER 66 80.842 11.508 6.377 480 HA SER 66 HA SER 66 83.004 11.196 4.510 481 HB2 SER 66 HB2 SER 66 83.130 12.274 7.329 482 HB3 SER 66 HB1 SER 66 84.263 12.579 6.017 483 HG SER 66 HG SER 66 82.647 14.248 6.390 484 H ALA 67 HN ALA 67 83.966 9.263 4.342 485 HA ALA 67 HA ALA 67 84.043 7.304 6.375 486 HB1 ALA 67 HB1 ALA 67 85.919 6.357 4.833 487 HB2 ALA 67 HB2 ALA 67 85.482 7.690 3.764 488 HB3 ALA 67 HB3 ALA 67 84.279 6.475 4.197 489 H GLN 68 HN GLN 68 85.601 6.712 7.819 490 HA GLN 68 HA GLN 68 88.018 8.400 8.048 491 HB2 GLN 68 HB2 GLN 68 86.057 7.667 10.229 492 HB3 GLN 68 HB1 GLN 68 87.684 8.261 10.559 493 HG2 GLN 68 HG2 GLN 68 85.740 9.751 8.787 494 HG3 GLN 68 HG1 GLN 68 85.841 10.028 10.525 495 HE21 GLN 68 HE21 GLN 68 88.141 10.599 11.339 496 HE22 GLN 68 HE22 GLN 68 89.110 11.545 10.314 497 HA PRO 69 HA PRO 69 90.138 4.520 8.232 498 HB2 PRO 69 HB2 PRO 69 91.969 5.250 10.355 499 HB3 PRO 69 HB1 PRO 69 92.280 5.206 8.616 500 HG2 PRO 69 HG2 PRO 69 91.815 7.506 10.332 501 HG3 PRO 69 HG1 PRO 69 92.399 7.460 8.664 502 HD2 PRO 69 HD2 PRO 69 89.861 8.354 9.487 503 HD3 PRO 69 HD1 PRO 69 90.320 7.938 7.823 504 H HIS 70 HN HIS 70 88.259 3.427 9.135 505 HA HIS 70 HA HIS 70 88.708 1.995 11.493 506 HB2 HIS 70 HB2 HIS 70 88.356 3.947 12.822 507 HB3 HIS 70 HB1 HIS 70 86.971 4.446 11.856 508 HD1 HIS 70 HD1 HIS 70 88.014 1.698 14.273 509 HD2 HIS 70 HD2 HIS 70 84.542 3.441 12.765 510 HE1 HIS 70 HE1 HIS 70 86.086 0.699 15.577 511 H HIS 71 HN HIS 71 86.477 3.247 9.130 512 HA HIS 71 HA HIS 71 84.337 1.442 9.750 513 HB2 HIS 71 HB2 HIS 71 83.251 2.351 7.820 514 HB3 HIS 71 HB1 HIS 71 84.074 3.678 8.640 515 HD1 HIS 71 HD1 HIS 71 85.081 1.113 5.985 516 HD2 HIS 71 HD2 HIS 71 85.460 5.182 6.801 517 HE1 HIS 71 HE1 HIS 71 86.397 2.105 4.065 518 H ALA 72 HN ALA 72 87.307 0.884 8.232 519 HA ALA 72 HA ALA 72 86.645 -0.719 6.049 520 HB1 ALA 72 HB1 ALA 72 88.949 -0.972 7.988 521 HB2 ALA 72 HB2 ALA 72 88.939 -0.093 6.457 522 HB3 ALA 72 HB3 ALA 72 88.826 -1.854 6.466 523 H GLY 73 HN GLY 73 86.245 -2.888 5.762 524 HA2 GLY 73 HA2 GLY 73 86.362 -5.015 7.450 525 HA3 GLY 73 HA1 GLY 73 84.877 -4.210 7.951 526 H GLU 74 HN GLU 74 84.122 -6.489 7.143 527 HA GLU 74 HA GLU 74 83.870 -6.613 4.217 528 HB2 GLU 74 HB2 GLU 74 83.156 -8.516 6.444 529 HB3 GLU 74 HB1 GLU 74 82.501 -8.742 4.823 530 HG2 GLU 74 HG2 GLU 74 84.724 -8.871 3.872 531 HG3 GLU 74 HG1 GLU 74 85.459 -8.480 5.432 532 H VAL 75 HN VAL 75 81.890 -6.694 3.131 533 HA VAL 75 HA VAL 75 79.621 -5.407 4.548 534 HB VAL 75 HB VAL 75 80.560 -5.034 1.698 535 HG11 VAL 75 HG11 VAL 75 78.196 -3.886 3.206 536 HG12 VAL 75 HG12 VAL 75 78.133 -4.922 1.786 537 HG13 VAL 75 HG13 VAL 75 78.761 -3.281 1.652 538 HG21 VAL 75 HG21 VAL 75 80.753 -2.612 2.601 539 HG22 VAL 75 HG22 VAL 75 82.002 -3.770 3.063 540 HG23 VAL 75 HG23 VAL 75 80.719 -3.358 4.200 541 H THR 76 HN THR 76 77.897 -6.686 4.660 542 HA THR 76 HA THR 76 77.387 -8.624 2.475 543 HB THR 76 HB THR 76 77.121 -9.131 5.446 544 HG1 THR 76 HG1 THR 76 79.121 -9.448 3.635 545 HG21 THR 76 HG21 THR 76 75.408 -10.359 4.330 546 HG22 THR 76 HG22 THR 76 76.729 -11.500 4.583 547 HG23 THR 76 HG23 THR 76 76.481 -10.776 2.994 548 H PHE 77 HN PHE 77 75.409 -8.663 1.703 549 HA PHE 77 HA PHE 77 73.125 -7.667 3.269 550 HB2 PHE 77 HB2 PHE 77 73.385 -5.704 2.081 551 HB3 PHE 77 HB1 PHE 77 74.194 -6.497 0.734 552 HD1 PHE 77 HD2 PHE 77 70.859 -5.961 2.341 553 HD2 PHE 77 HD1 PHE 77 72.986 -7.184 -1.183 554 HE1 PHE 77 HE2 PHE 77 68.734 -5.972 1.061 555 HE2 PHE 77 HE1 PHE 77 70.864 -7.189 -2.463 556 HZ PHE 77 HZ PHE 77 68.738 -6.585 -1.342 557 H ALA 78 HN ALA 78 71.257 -8.735 2.888 558 HA ALA 78 HA ALA 78 71.124 -10.656 0.657 559 HB1 ALA 78 HB1 ALA 78 70.346 -12.428 2.281 560 HB2 ALA 78 HB2 ALA 78 70.908 -11.386 3.588 561 HB3 ALA 78 HB3 ALA 78 72.056 -12.019 2.409 562 H CYS 79 HN CYS 79 68.978 -11.338 0.176 563 HA CYS 79 HA CYS 79 66.773 -10.256 1.709 564 HB2 CYS 79 HB2 CYS 79 67.908 -8.599 -0.202 565 HB3 CYS 79 HB1 CYS 79 66.561 -9.323 -1.081 566 HG CYS 79 HG CYS 79 65.574 -7.278 0.177 567 H ARG 80 HN ARG 80 64.982 -10.386 -0.651 568 HA ARG 80 HA ARG 80 64.165 -13.046 -0.443 569 HB2 ARG 80 HB2 ARG 80 63.698 -11.102 -2.718 570 HB3 ARG 80 HB1 ARG 80 62.800 -12.598 -2.466 571 HG2 ARG 80 HG2 ARG 80 62.963 -10.572 -0.237 572 HG3 ARG 80 HG1 ARG 80 61.825 -10.320 -1.558 573 HD2 ARG 80 HD2 ARG 80 61.958 -12.817 0.165 574 HD3 ARG 80 HD1 ARG 80 60.781 -11.521 0.344 575 HE ARG 80 HE ARG 80 60.698 -12.430 -2.320 576 HH11 ARG 80 HH11 ARG 80 58.803 -12.407 0.349 577 HH12 ARG 80 HH12 ARG 80 58.066 -13.958 0.121 578 HH21 ARG 80 HH21 ARG 80 60.240 -14.911 -2.408 579 HH22 ARG 80 HH22 ARG 80 58.883 -15.377 -1.439 580 H ASP 81 HN ASP 81 65.984 -14.378 -0.677 581 HA ASP 81 HA ASP 81 67.484 -15.710 -1.787 582 HB2 ASP 81 HB2 ASP 81 65.475 -15.182 -3.981 583 HB3 ASP 81 HB1 ASP 81 66.798 -16.338 -4.131 584 H ALA 82 HN ALA 82 67.639 -12.638 -1.956 585 HA ALA 82 HA ALA 82 69.395 -12.389 -4.326 586 HB1 ALA 82 HB1 ALA 82 67.642 -10.698 -4.196 587 HB2 ALA 82 HB2 ALA 82 69.208 -9.942 -3.906 588 HB3 ALA 82 HB3 ALA 82 68.130 -10.280 -2.553 589 H VAL 83 HN VAL 83 70.871 -13.803 -2.905 590 HA VAL 83 HA VAL 83 72.184 -12.460 -0.702 591 HB VAL 83 HB VAL 83 71.877 -14.959 -0.855 592 HG11 VAL 83 HG11 VAL 83 73.165 -16.260 -2.339 593 HG12 VAL 83 HG12 VAL 83 74.252 -14.925 -2.719 594 HG13 VAL 83 HG13 VAL 83 72.607 -14.928 -3.352 595 HG21 VAL 83 HG21 VAL 83 74.622 -13.730 -0.498 596 HG22 VAL 83 HG22 VAL 83 74.288 -15.419 -0.120 597 HG23 VAL 83 HG23 VAL 83 73.445 -14.138 0.750 598 H ALA 84 HN ALA 84 73.987 -11.263 -0.767 599 HA ALA 84 HA ALA 84 75.814 -11.393 -3.029 600 HB1 ALA 84 HB1 ALA 84 74.015 -9.032 -2.492 601 HB2 ALA 84 HB2 ALA 84 74.260 -9.896 -4.011 602 HB3 ALA 84 HB3 ALA 84 75.538 -8.865 -3.368 603 H SER 85 HN SER 85 77.841 -11.015 -2.342 604 HA SER 85 HA SER 85 78.237 -9.934 0.361 605 HB2 SER 85 HB2 SER 85 79.400 -12.084 -0.641 606 HB3 SER 85 HB1 SER 85 80.521 -10.911 -1.326 607 HG SER 85 HG SER 85 80.955 -11.754 0.876 608 H ALA 86 HN ALA 86 80.691 -8.851 0.219 609 HA ALA 86 HA ALA 86 81.264 -7.096 -1.866 610 HB1 ALA 86 HB1 ALA 86 79.313 -5.847 -1.654 611 HB2 ALA 86 HB2 ALA 86 80.413 -4.941 -0.617 612 HB3 ALA 86 HB3 ALA 86 79.245 -6.059 0.091 613 H ARG 87 HN ARG 87 82.720 -5.229 -1.100 614 HA ARG 87 HA ARG 87 84.056 -5.847 1.463 615 HB2 ARG 87 HB2 ARG 87 85.436 -5.584 -1.225 616 HB3 ARG 87 HB1 ARG 87 86.263 -5.676 0.325 617 HG2 ARG 87 HG2 ARG 87 84.343 -7.850 -0.514 618 HG3 ARG 87 HG1 ARG 87 86.003 -7.855 -1.084 619 HD2 ARG 87 HD2 ARG 87 85.156 -7.806 1.827 620 HD3 ARG 87 HD1 ARG 87 85.765 -9.207 0.959 621 HE ARG 87 HE ARG 87 87.624 -7.096 0.705 622 HH11 ARG 87 HH11 ARG 87 86.595 -9.709 2.688 623 HH12 ARG 87 HH12 ARG 87 87.893 -9.551 3.822 624 HH21 ARG 87 HH21 ARG 87 89.195 -6.699 2.348 625 HH22 ARG 87 HH22 ARG 87 89.366 -7.855 3.627 626 H LEU 88 HN LEU 88 84.777 -4.084 2.546 627 HA LEU 88 HA LEU 88 84.723 -1.463 1.151 628 HB2 LEU 88 HB2 LEU 88 82.833 -1.619 2.700 629 HB3 LEU 88 HB1 LEU 88 83.918 -2.067 4.011 630 HG LEU 88 HG LEU 88 85.049 0.125 3.823 631 HD11 LEU 88 HD11 LEU 88 83.150 0.433 1.501 632 HD12 LEU 88 HD12 LEU 88 84.875 0.799 1.578 633 HD13 LEU 88 HD13 LEU 88 83.715 1.858 2.373 634 HD21 LEU 88 HD21 LEU 88 82.027 0.337 4.012 635 HD22 LEU 88 HD22 LEU 88 83.179 1.518 4.636 636 HD23 LEU 88 HD23 LEU 88 83.112 -0.101 5.332 637 H THR 89 HN THR 89 86.590 -0.378 1.205 638 HA THR 89 HA THR 89 88.486 -0.849 3.404 639 HB THR 89 HB THR 89 89.247 -2.403 1.746 640 HG1 THR 89 HG1 THR 89 90.641 0.050 1.806 641 HG21 THR 89 HG21 THR 89 88.045 -1.615 -0.186 642 HG22 THR 89 HG22 THR 89 89.764 -1.572 -0.578 643 HG23 THR 89 HG23 THR 89 88.915 -0.081 -0.164 644 H VAL 90 HN VAL 90 89.865 0.847 3.828 645 HA VAL 90 HA VAL 90 89.231 3.383 2.422 646 HB VAL 90 HB VAL 90 88.594 3.246 4.825 647 HG11 VAL 90 HG11 VAL 90 90.624 1.705 5.325 648 HG12 VAL 90 HG12 VAL 90 90.170 2.902 6.537 649 HG13 VAL 90 HG13 VAL 90 91.541 3.206 5.470 650 HG21 VAL 90 HG21 VAL 90 89.099 5.438 3.946 651 HG22 VAL 90 HG22 VAL 90 90.833 5.155 4.079 652 HG23 VAL 90 HG23 VAL 90 89.853 5.322 5.532 653 H LEU 91 HN LEU 91 90.805 4.231 1.231 654 HA LEU 91 HA LEU 91 93.516 3.130 1.398 655 HB2 LEU 91 HB2 LEU 91 92.351 5.141 -0.538 656 HB3 LEU 91 HB1 LEU 91 93.889 4.296 -0.703 657 HG LEU 91 HG LEU 91 91.157 2.979 -0.624 658 HD11 LEU 91 HD11 LEU 91 91.370 2.655 -2.969 659 HD12 LEU 91 HD12 LEU 91 93.071 3.118 -2.960 660 HD13 LEU 91 HD13 LEU 91 91.824 4.339 -2.704 661 HD21 LEU 91 HD21 LEU 91 92.671 1.016 -1.508 662 HD22 LEU 91 HD22 LEU 91 92.618 1.347 0.220 663 HD23 LEU 91 HD23 LEU 91 93.980 1.920 -0.744 664 H GLY 92 HN GLY 92 95.205 4.144 2.268 665 HA2 GLY 92 HA2 GLY 92 95.794 6.843 2.273 666 HA3 GLY 92 HA1 GLY 92 94.869 6.565 3.746 667 H LEU 93 HN LEU 93 97.421 7.439 4.002 668 HA LEU 93 HA LEU 93 99.106 5.097 4.608 669 HB2 LEU 93 HB2 LEU 93 99.627 8.031 4.200 670 HB3 LEU 93 HB1 LEU 93 100.791 7.046 5.082 671 HG LEU 93 HG LEU 93 100.810 5.458 3.103 672 HD11 LEU 93 HD11 LEU 93 98.743 6.005 2.014 673 HD12 LEU 93 HD12 LEU 93 100.032 6.545 0.938 674 HD13 LEU 93 HD13 LEU 93 99.166 7.716 1.932 675 HD21 LEU 93 HD21 LEU 93 102.160 7.045 1.665 676 HD22 LEU 93 HD22 LEU 93 102.636 7.009 3.362 677 HD23 LEU 93 HD23 LEU 93 101.661 8.344 2.748 678 HA PRO 94 HA PRO 94 97.573 6.069 8.814 679 HB2 PRO 94 HB2 PRO 94 98.876 3.703 9.860 680 HB3 PRO 94 HB1 PRO 94 97.145 3.983 9.623 681 HG2 PRO 94 HG2 PRO 94 98.791 2.230 8.148 682 HG3 PRO 94 HG1 PRO 94 97.122 2.685 7.782 683 HD2 PRO 94 HD2 PRO 94 99.603 3.553 6.452 684 HD3 PRO 94 HD1 PRO 94 97.920 3.687 5.899 685 H ASP 95 HN ASP 95 100.789 5.229 7.764 686 HA ASP 95 HA ASP 95 102.135 6.118 10.145 687 HB2 ASP 95 HB2 ASP 95 104.178 5.842 8.794 688 HB3 ASP 95 HB1 ASP 95 103.139 4.424 8.685 689 H GLY 96 HN GLY 96 103.468 7.988 10.321 690 HA2 GLY 96 HA2 GLY 96 102.304 10.329 9.084 691 HA3 GLY 96 HA1 GLY 96 103.593 10.309 10.282 692 H LEU 97 HN LEU 97 105.658 10.541 9.634 693 HA LEU 97 HA LEU 97 106.192 11.353 6.937 694 HB2 LEU 97 HB2 LEU 97 108.090 10.775 9.224 695 HB3 LEU 97 HB1 LEU 97 108.512 11.600 7.726 696 HG LEU 97 HG LEU 97 106.422 12.564 9.706 697 HD11 LEU 97 HD11 LEU 97 109.124 13.802 9.143 698 HD12 LEU 97 HD12 LEU 97 108.894 12.615 10.426 699 HD13 LEU 97 HD13 LEU 97 108.025 14.148 10.477 700 HD21 LEU 97 HD21 LEU 97 105.777 13.523 7.670 701 HD22 LEU 97 HD22 LEU 97 107.424 13.560 7.041 702 HD23 LEU 97 HD23 LEU 97 106.916 14.734 8.255 703 H GLU 98 HN GLU 98 107.480 10.343 5.394 704 HA GLU 98 HA GLU 98 108.240 7.520 5.870 705 HB2 GLU 98 HB2 GLU 98 106.766 8.628 3.464 706 HB3 GLU 98 HB1 GLU 98 107.525 7.038 3.511 707 HG2 GLU 98 HG2 GLU 98 105.393 7.970 5.454 708 HG3 GLU 98 HG1 GLU 98 105.081 6.972 4.036 709 H HIS 99 HN HIS 99 109.700 10.101 5.852 710 HA HIS 99 HA HIS 99 111.608 9.521 3.648 711 HB2 HIS 99 HB2 HIS 99 110.350 11.646 3.325 712 HB3 HIS 99 HB1 HIS 99 110.980 12.221 4.868 713 HD1 HIS 99 HD1 HIS 99 113.487 12.855 4.981 714 HD2 HIS 99 HD2 HIS 99 112.267 11.555 1.213 715 HE1 HIS 99 HE1 HIS 99 115.359 13.441 3.382 716 H HIS 100 HN HIS 100 112.003 8.144 5.948 717 HA HIS 100 HA HIS 100 114.492 9.319 6.928 718 HB2 HIS 100 HB2 HIS 100 113.913 9.076 9.281 719 HB3 HIS 100 HB1 HIS 100 112.758 10.158 8.503 720 HD1 HIS 100 HD1 HIS 100 110.454 8.914 7.675 721 HD2 HIS 100 HD2 HIS 100 112.724 6.928 10.554 722 HE1 HIS 100 HE1 HIS 100 108.927 7.187 8.727 723 H HIS 101 HN HIS 101 115.999 7.781 7.367 724 HA HIS 101 HA HIS 101 115.246 5.064 8.019 725 HB2 HIS 101 HB2 HIS 101 116.388 4.071 6.048 726 HB3 HIS 101 HB1 HIS 101 114.938 4.974 5.613 727 HD1 HIS 101 HD1 HIS 101 115.561 7.675 5.070 728 HD2 HIS 101 HD2 HIS 101 118.522 4.804 4.461 729 HE1 HIS 101 HE1 HIS 101 117.256 8.716 3.501 730 H HIS 102 HN HIS 102 116.977 3.807 8.746 731 HA HIS 102 HA HIS 102 119.283 5.345 9.650 732 HB2 HIS 102 HB2 HIS 102 118.152 3.795 11.203 733 HB3 HIS 102 HB1 HIS 102 118.536 2.449 10.130 734 HD1 HIS 102 HD1 HIS 102 120.453 5.255 11.887 735 HD2 HIS 102 HD2 HIS 102 120.934 1.263 10.784 736 HE1 HIS 102 HE1 HIS 102 122.719 4.536 12.762 737 H HIS 103 HN HIS 103 121.238 5.300 8.709 738 HA HIS 103 HA HIS 103 121.616 3.961 6.226 739 HB2 HIS 103 HB2 HIS 103 123.592 5.366 8.037 740 HB3 HIS 103 HB1 HIS 103 123.947 4.812 6.400 741 HD1 HIS 103 HD1 HIS 103 122.031 5.747 4.567 742 HD2 HIS 103 HD2 HIS 103 122.669 7.973 8.034 743 HE1 HIS 103 HE1 HIS 103 121.127 8.065 4.104 744 H HIS 104 HN HIS 104 122.543 2.069 5.738 745 HA HIS 104 HA HIS 104 124.084 0.604 7.768 746 HB2 HIS 104 HB2 HIS 104 122.764 -1.426 7.443 747 HB3 HIS 104 HB1 HIS 104 121.732 -0.125 8.038 748 HD1 HIS 104 HD1 HIS 104 122.229 -2.406 5.178 749 HD2 HIS 104 HD2 HIS 104 120.046 1.060 5.953 750 HE1 HIS 104 HE1 HIS 104 120.536 -2.194 3.309 Start of MODEL 18 1 H1 TRP 1 HT1 TRP 1 54.913 -13.134 -9.973 2 H2 TRP 1 HT2 TRP 1 54.375 -14.640 -10.542 3 H3 TRP 1 HT3 TRP 1 54.257 -13.263 -11.532 4 HA TRP 1 HA TRP 1 56.188 -14.989 -11.838 5 HB2 TRP 1 HB2 TRP 1 56.695 -12.000 -11.872 6 HB3 TRP 1 HB1 TRP 1 57.490 -13.222 -12.865 7 HD1 TRP 1 HD1 TRP 1 55.227 -14.885 -14.006 8 HE1 TRP 1 HE1 TRP 1 53.443 -13.885 -15.578 9 HE3 TRP 1 HE3 TRP 1 55.633 -9.951 -12.766 10 HZ2 TRP 1 HZ2 TRP 1 52.334 -11.320 -16.224 11 HZ3 TRP 1 HZ3 TRP 1 54.206 -8.252 -13.868 12 HH2 TRP 1 HH2 TRP 1 52.559 -8.926 -15.595 13 H ARG 2 HN ARG 2 58.693 -14.430 -11.494 14 HA ARG 2 HA ARG 2 59.131 -14.640 -8.605 15 HB2 ARG 2 HB2 ARG 2 61.103 -14.908 -10.893 16 HB3 ARG 2 HB1 ARG 2 61.381 -15.361 -9.215 17 HG2 ARG 2 HG2 ARG 2 59.144 -16.576 -10.839 18 HG3 ARG 2 HG1 ARG 2 60.771 -17.252 -10.846 19 HD2 ARG 2 HD2 ARG 2 58.978 -16.904 -8.422 20 HD3 ARG 2 HD1 ARG 2 59.433 -18.421 -9.184 21 HE ARG 2 HE ARG 2 61.759 -16.982 -8.397 22 HH11 ARG 2 HH21 ARG 2 60.130 -19.798 -7.830 23 HH12 ARG 2 HH22 ARG 2 60.519 -19.938 -6.148 24 HH21 ARG 2 HH11 ARG 2 61.829 -16.735 -5.917 25 HH22 ARG 2 HH12 ARG 2 61.473 -18.199 -5.064 26 H LEU 3 HN LEU 3 60.491 -13.272 -7.421 27 HA LEU 3 HA LEU 3 60.732 -10.565 -8.495 28 HB2 LEU 3 HB2 LEU 3 61.544 -11.510 -5.741 29 HB3 LEU 3 HB1 LEU 3 61.158 -9.876 -6.256 30 HG LEU 3 HG LEU 3 59.230 -10.614 -5.088 31 HD11 LEU 3 HD11 LEU 3 58.467 -11.240 -7.935 32 HD12 LEU 3 HD12 LEU 3 58.911 -9.605 -7.443 33 HD13 LEU 3 HD13 LEU 3 57.525 -10.402 -6.702 34 HD21 LEU 3 HD21 LEU 3 58.369 -12.745 -5.036 35 HD22 LEU 3 HD22 LEU 3 60.001 -13.174 -5.527 36 HD23 LEU 3 HD23 LEU 3 58.719 -13.062 -6.731 37 H GLU 4 HN GLU 4 62.364 -10.645 -9.943 38 HA GLU 4 HA GLU 4 64.921 -11.833 -9.364 39 HB2 GLU 4 HB2 GLU 4 65.547 -10.827 -11.583 40 HB3 GLU 4 HB1 GLU 4 64.164 -11.925 -11.627 41 HG2 GLU 4 HG2 GLU 4 62.617 -10.023 -11.577 42 HG3 GLU 4 HG1 GLU 4 63.967 -8.905 -11.446 43 H ILE 5 HN ILE 5 66.905 -10.805 -9.243 44 HA ILE 5 HA ILE 5 66.936 -8.251 -7.865 45 HB ILE 5 HB ILE 5 68.348 -9.996 -6.971 46 HG12 ILE 5 HG12 ILE 5 70.553 -8.973 -7.063 47 HG13 ILE 5 HG11 ILE 5 70.104 -8.052 -8.495 48 HG21 ILE 5 HG21 ILE 5 68.580 -11.420 -8.935 49 HG22 ILE 5 HG22 ILE 5 70.177 -11.011 -8.312 50 HG23 ILE 5 HG23 ILE 5 69.561 -10.200 -9.744 51 HD11 ILE 5 HD11 ILE 5 68.430 -7.808 -6.003 52 HD12 ILE 5 HD12 ILE 5 68.684 -6.636 -7.297 53 HD13 ILE 5 HD13 ILE 5 69.956 -6.929 -6.111 54 H LEU 6 HN LEU 6 67.105 -6.360 -8.995 55 HA LEU 6 HA LEU 6 67.671 -6.472 -11.822 56 HB2 LEU 6 HB2 LEU 6 67.198 -3.992 -10.195 57 HB3 LEU 6 HB1 LEU 6 66.837 -4.287 -11.895 58 HG LEU 6 HG LEU 6 65.481 -5.555 -9.507 59 HD11 LEU 6 HD11 LEU 6 64.908 -3.150 -10.308 60 HD12 LEU 6 HD12 LEU 6 63.581 -4.290 -10.088 61 HD13 LEU 6 HD13 LEU 6 64.186 -3.946 -11.707 62 HD21 LEU 6 HD21 LEU 6 63.996 -6.540 -11.368 63 HD22 LEU 6 HD22 LEU 6 65.587 -7.271 -11.148 64 HD23 LEU 6 HD23 LEU 6 65.314 -6.134 -12.469 65 H GLU 7 HN GLU 7 68.939 -4.154 -9.383 66 HA GLU 7 HA GLU 7 71.635 -4.523 -10.546 67 HB2 GLU 7 HB2 GLU 7 71.866 -2.014 -10.629 68 HB3 GLU 7 HB1 GLU 7 70.783 -2.709 -11.834 69 HG2 GLU 7 HG2 GLU 7 68.844 -2.179 -10.408 70 HG3 GLU 7 HG1 GLU 7 69.919 -1.483 -9.199 71 H LEU 8 HN LEU 8 73.254 -4.386 -9.176 72 HA LEU 8 HA LEU 8 72.782 -3.334 -6.441 73 HB2 LEU 8 HB2 LEU 8 74.703 -5.214 -6.001 74 HB3 LEU 8 HB1 LEU 8 72.985 -5.543 -5.839 75 HG LEU 8 HG LEU 8 74.207 -5.851 -8.579 76 HD11 LEU 8 HD11 LEU 8 74.711 -8.275 -7.929 77 HD12 LEU 8 HD12 LEU 8 74.670 -7.721 -6.256 78 HD13 LEU 8 HD13 LEU 8 75.857 -7.054 -7.381 79 HD21 LEU 8 HD21 LEU 8 72.581 -7.756 -8.622 80 HD22 LEU 8 HD22 LEU 8 71.805 -6.207 -8.302 81 HD23 LEU 8 HD23 LEU 8 72.105 -7.332 -6.982 82 H LEU 9 HN LEU 9 74.299 -1.964 -5.665 83 HA LEU 9 HA LEU 9 76.595 -1.310 -7.409 84 HB2 LEU 9 HB2 LEU 9 75.491 0.128 -4.982 85 HB3 LEU 9 HB1 LEU 9 76.799 0.704 -6.012 86 HG LEU 9 HG LEU 9 73.944 0.190 -6.909 87 HD11 LEU 9 HD11 LEU 9 74.449 2.195 -5.374 88 HD12 LEU 9 HD12 LEU 9 73.647 2.548 -6.903 89 HD13 LEU 9 HD13 LEU 9 75.377 2.846 -6.723 90 HD21 LEU 9 HD21 LEU 9 75.235 -0.139 -8.847 91 HD22 LEU 9 HD22 LEU 9 76.470 1.016 -8.345 92 HD23 LEU 9 HD23 LEU 9 74.907 1.590 -8.925 93 H LYS 10 HN LYS 10 78.366 -2.455 -6.990 94 HA LYS 10 HA LYS 10 79.095 -3.019 -4.170 95 HB2 LYS 10 HB2 LYS 10 79.977 -4.907 -6.333 96 HB3 LYS 10 HB1 LYS 10 79.666 -5.219 -4.631 97 HG2 LYS 10 HG2 LYS 10 77.187 -4.438 -6.021 98 HG3 LYS 10 HG1 LYS 10 77.941 -5.801 -6.812 99 HD2 LYS 10 HD2 LYS 10 76.460 -6.682 -5.165 100 HD3 LYS 10 HD1 LYS 10 78.085 -6.898 -4.534 101 HE2 LYS 10 HE2 LYS 10 77.830 -4.841 -3.186 102 HE3 LYS 10 HE1 LYS 10 76.211 -4.613 -3.841 103 HZ1 LYS 10 HZ1 LYS 10 76.820 -5.994 -1.594 104 HZ2 LYS 10 HZ2 LYS 10 76.634 -7.228 -2.745 105 HZ3 LYS 10 HZ3 LYS 10 75.371 -6.127 -2.465 106 H ASN 11 HN ASN 11 81.511 -3.985 -4.299 107 HA ASN 11 HA ASN 11 83.737 -3.407 -4.449 108 HB2 ASN 11 HB2 ASN 11 82.748 -2.764 -7.228 109 HB3 ASN 11 HB1 ASN 11 84.445 -2.601 -6.773 110 HD21 ASN 11 HD21 ASN 11 83.319 -4.556 -8.701 111 HD22 ASN 11 HD22 ASN 11 83.695 -6.091 -8.083 112 H ALA 12 HN ALA 12 84.313 -1.787 -3.131 113 HA ALA 12 HA ALA 12 84.349 0.906 -4.198 114 HB1 ALA 12 HB1 ALA 12 82.975 1.899 -2.431 115 HB2 ALA 12 HB2 ALA 12 82.624 0.286 -1.810 116 HB3 ALA 12 HB3 ALA 12 82.044 0.760 -3.407 117 H ALA 13 HN ALA 13 85.777 2.165 -3.372 118 HA ALA 13 HA ALA 13 87.202 1.442 -0.877 119 HB1 ALA 13 HB1 ALA 13 88.432 2.906 -3.228 120 HB2 ALA 13 HB2 ALA 13 88.537 1.153 -3.055 121 HB3 ALA 13 HB3 ALA 13 89.254 2.205 -1.834 122 H VAL 14 HN VAL 14 87.693 3.283 0.458 123 HA VAL 14 HA VAL 14 86.425 5.825 -0.381 124 HB VAL 14 HB VAL 14 85.735 5.919 2.149 125 HG11 VAL 14 HG11 VAL 14 84.164 5.793 0.230 126 HG12 VAL 14 HG12 VAL 14 83.596 4.835 1.597 127 HG13 VAL 14 HG13 VAL 14 84.340 4.039 0.211 128 HG21 VAL 14 HG21 VAL 14 85.422 3.799 3.214 129 HG22 VAL 14 HG22 VAL 14 87.067 3.767 2.578 130 HG23 VAL 14 HG23 VAL 14 85.779 2.921 1.726 131 H ARG 15 HN ARG 15 87.908 7.285 -0.428 132 HA ARG 15 HA ARG 15 90.291 7.106 1.235 133 HB2 ARG 15 HB2 ARG 15 90.251 7.872 -1.210 134 HB3 ARG 15 HB1 ARG 15 89.545 9.375 -0.614 135 HG2 ARG 15 HG2 ARG 15 91.457 9.705 0.878 136 HG3 ARG 15 HG1 ARG 15 92.152 8.178 0.343 137 HD2 ARG 15 HD2 ARG 15 93.237 9.970 -0.872 138 HD3 ARG 15 HD1 ARG 15 92.205 9.082 -1.990 139 HE ARG 15 HE ARG 15 90.758 11.258 -0.892 140 HH11 ARG 15 HH11 ARG 15 92.371 10.142 -3.629 141 HH12 ARG 15 HH12 ARG 15 92.581 11.699 -4.365 142 HH21 ARG 15 HH21 ARG 15 91.443 13.454 -1.602 143 HH22 ARG 15 HH22 ARG 15 92.052 13.571 -3.218 144 H ALA 16 HN ALA 16 90.869 8.629 2.830 145 HA ALA 16 HA ALA 16 88.988 9.440 4.634 146 HB1 ALA 16 HB1 ALA 16 91.469 11.053 4.006 147 HB2 ALA 16 HB2 ALA 16 91.478 9.557 4.940 148 HB3 ALA 16 HB3 ALA 16 90.613 10.969 5.546 149 H GLY 17 HN GLY 17 87.351 10.841 4.637 150 HA2 GLY 17 HA2 GLY 17 86.186 12.817 4.250 151 HA3 GLY 17 HA1 GLY 17 87.545 13.403 3.295 152 H ALA 18 HN ALA 18 86.139 10.282 2.691 153 HA ALA 18 HA ALA 18 84.971 11.292 0.149 154 HB1 ALA 18 HB1 ALA 18 85.457 9.132 -0.835 155 HB2 ALA 18 HB2 ALA 18 86.065 8.523 0.705 156 HB3 ALA 18 HB3 ALA 18 86.940 9.795 -0.149 157 H GLN 19 HN GLN 19 83.009 10.511 -0.502 158 HA GLN 19 HA GLN 19 81.349 9.250 1.603 159 HB2 GLN 19 HB2 GLN 19 80.552 11.429 0.823 160 HB3 GLN 19 HB1 GLN 19 80.562 10.858 -0.845 161 HG2 GLN 19 HG2 GLN 19 78.847 9.215 -0.352 162 HG3 GLN 19 HG1 GLN 19 78.930 9.587 1.368 163 HE21 GLN 19 HE21 GLN 19 76.472 9.831 -0.064 164 HE22 GLN 19 HE22 GLN 19 76.058 11.476 -0.137 165 H ALA 20 HN ALA 20 79.831 7.585 0.944 166 HA ALA 20 HA ALA 20 80.382 6.300 -1.650 167 HB1 ALA 20 HB1 ALA 20 80.655 4.912 1.028 168 HB2 ALA 20 HB2 ALA 20 81.936 5.193 -0.151 169 HB3 ALA 20 HB3 ALA 20 80.617 4.088 -0.531 170 H CYS 21 HN CYS 21 78.701 5.120 -2.462 171 HA CYS 21 HA CYS 21 76.217 5.030 -0.836 172 HB2 CYS 21 HB2 CYS 21 76.485 5.780 -3.755 173 HB3 CYS 21 HB1 CYS 21 74.962 5.546 -2.899 174 HG CYS 21 HG CYS 21 76.901 7.649 -1.704 175 H PHE 22 HN PHE 22 75.109 3.235 -0.878 176 HA PHE 22 HA PHE 22 75.653 1.139 -2.892 177 HB2 PHE 22 HB2 PHE 22 75.446 0.589 0.084 178 HB3 PHE 22 HB1 PHE 22 75.759 -0.584 -1.192 179 HD1 PHE 22 HD2 PHE 22 77.943 -0.639 -2.347 180 HD2 PHE 22 HD1 PHE 22 77.159 2.081 0.887 181 HE1 PHE 22 HE2 PHE 22 80.373 -0.223 -2.103 182 HE2 PHE 22 HE1 PHE 22 79.590 2.494 1.131 183 HZ PHE 22 HZ PHE 22 81.194 1.346 -0.356 184 H THR 23 HN THR 23 73.702 0.590 -3.744 185 HA THR 23 HA THR 23 71.369 0.462 -1.961 186 HB THR 23 HB THR 23 71.096 2.675 -2.805 187 HG1 THR 23 HG1 THR 23 69.405 2.057 -4.571 188 HG21 THR 23 HG21 THR 23 72.199 1.495 -5.316 189 HG22 THR 23 HG22 THR 23 72.441 3.100 -4.624 190 HG23 THR 23 HG23 THR 23 70.961 2.735 -5.505 191 H CYS 24 HN CYS 24 69.674 -0.881 -2.774 192 HA CYS 24 HA CYS 24 70.438 -2.529 -5.126 193 HB2 CYS 24 HB2 CYS 24 70.921 -3.864 -3.212 194 HB3 CYS 24 HB1 CYS 24 69.399 -3.425 -2.433 195 HG CYS 24 HG CYS 24 69.312 -5.004 -5.119 196 H THR 25 HN THR 25 69.053 -1.460 -6.494 197 HA THR 25 HA THR 25 66.282 -1.034 -5.897 198 HB THR 25 HB THR 25 67.594 -1.157 -8.621 199 HG1 THR 25 HG1 THR 25 67.510 1.258 -8.089 200 HG21 THR 25 HG21 THR 25 65.778 0.337 -9.271 201 HG22 THR 25 HG22 THR 25 65.176 0.367 -7.615 202 HG23 THR 25 HG23 THR 25 65.103 -1.126 -8.553 203 H LEU 26 HN LEU 26 64.876 -2.635 -5.664 204 HA LEU 26 HA LEU 26 65.247 -5.160 -7.147 205 HB2 LEU 26 HB2 LEU 26 63.469 -4.541 -4.779 206 HB3 LEU 26 HB1 LEU 26 63.733 -6.129 -5.496 207 HG LEU 26 HG LEU 26 65.891 -4.405 -4.237 208 HD11 LEU 26 HD11 LEU 26 64.120 -5.423 -2.699 209 HD12 LEU 26 HD12 LEU 26 65.790 -5.878 -2.358 210 HD13 LEU 26 HD13 LEU 26 64.725 -7.001 -3.203 211 HD21 LEU 26 HD21 LEU 26 67.028 -5.746 -5.788 212 HD22 LEU 26 HD22 LEU 26 65.876 -7.074 -5.651 213 HD23 LEU 26 HD23 LEU 26 67.046 -6.782 -4.365 214 H SER 27 HN SER 27 62.792 -6.212 -7.094 215 HA SER 27 HA SER 27 61.179 -4.433 -8.844 216 HB2 SER 27 HB2 SER 27 62.005 -6.287 -10.119 217 HB3 SER 27 HB1 SER 27 61.586 -7.430 -8.845 218 HG SER 27 HG SER 27 59.909 -7.556 -10.219 219 H GLU 28 HN GLU 28 61.324 -5.838 -5.827 220 HA GLU 28 HA GLU 28 58.411 -5.569 -5.447 221 HB2 GLU 28 HB2 GLU 28 58.858 -7.961 -5.809 222 HB3 GLU 28 HB1 GLU 28 60.081 -7.937 -4.543 223 HG2 GLU 28 HG2 GLU 28 58.041 -8.838 -3.613 224 HG3 GLU 28 HG1 GLU 28 58.289 -7.235 -2.919 225 H ALA 29 HN ALA 29 57.815 -4.886 -3.394 226 HA ALA 29 HA ALA 29 59.918 -3.600 -1.852 227 HB1 ALA 29 HB1 ALA 29 56.917 -3.701 -1.428 228 HB2 ALA 29 HB2 ALA 29 57.812 -2.406 -2.226 229 HB3 ALA 29 HB3 ALA 29 58.044 -2.705 -0.506 230 H VAL 30 HN VAL 30 60.756 -4.312 0.040 231 HA VAL 30 HA VAL 30 59.740 -6.872 1.098 232 HB VAL 30 HB VAL 30 62.422 -5.600 1.588 233 HG11 VAL 30 HG11 VAL 30 63.051 -7.916 2.163 234 HG12 VAL 30 HG12 VAL 30 61.402 -8.446 1.827 235 HG13 VAL 30 HG13 VAL 30 61.720 -7.356 3.176 236 HG21 VAL 30 HG21 VAL 30 61.504 -7.502 -0.583 237 HG22 VAL 30 HG22 VAL 30 63.200 -7.243 -0.172 238 HG23 VAL 30 HG23 VAL 30 62.231 -5.909 -0.796 239 HA PRO 31 HA PRO 31 58.479 -4.450 4.677 240 HB2 PRO 31 HB2 PRO 31 58.515 -6.748 6.458 241 HB3 PRO 31 HB1 PRO 31 57.114 -5.916 5.778 242 HG2 PRO 31 HG2 PRO 31 58.091 -8.482 5.092 243 HG3 PRO 31 HG1 PRO 31 56.792 -7.581 4.304 244 HD2 PRO 31 HD2 PRO 31 59.504 -8.092 3.331 245 HD3 PRO 31 HD1 PRO 31 58.109 -7.398 2.469 246 H VAL 32 HN VAL 32 59.454 -5.604 7.341 247 HA VAL 32 HA VAL 32 62.315 -4.859 7.086 248 HB VAL 32 HB VAL 32 61.212 -3.000 8.116 249 HG11 VAL 32 HG11 VAL 32 60.000 -4.875 10.164 250 HG12 VAL 32 HG12 VAL 32 59.128 -4.336 8.732 251 HG13 VAL 32 HG13 VAL 32 59.662 -3.163 9.931 252 HG21 VAL 32 HG21 VAL 32 63.328 -3.990 9.191 253 HG22 VAL 32 HG22 VAL 32 62.257 -4.618 10.446 254 HG23 VAL 32 HG23 VAL 32 62.380 -2.880 10.180 255 H GLY 33 HN GLY 33 63.438 -6.615 7.389 256 HA2 GLY 33 HA2 GLY 33 64.027 -8.009 9.556 257 HA3 GLY 33 HA1 GLY 33 62.488 -8.766 9.147 258 H GLU 34 HN GLU 34 62.581 -8.850 6.385 259 HA GLU 34 HA GLU 34 64.280 -11.091 5.936 260 HB2 GLU 34 HB2 GLU 34 62.695 -9.351 4.036 261 HB3 GLU 34 HB1 GLU 34 63.526 -10.830 3.556 262 HG2 GLU 34 HG2 GLU 34 62.207 -12.133 5.145 263 HG3 GLU 34 HG1 GLU 34 61.419 -10.670 5.728 264 H ALA 35 HN ALA 35 64.387 -7.702 4.885 265 HA ALA 35 HA ALA 35 66.921 -8.016 3.523 266 HB1 ALA 35 HB1 ALA 35 65.675 -5.398 4.362 267 HB2 ALA 35 HB2 ALA 35 65.034 -6.315 2.997 268 HB3 ALA 35 HB3 ALA 35 66.697 -5.729 2.963 269 H SER 36 HN SER 36 68.977 -7.544 4.358 270 HA SER 36 HA SER 36 69.128 -6.383 7.076 271 HB2 SER 36 HB2 SER 36 69.094 -8.790 7.425 272 HB3 SER 36 HB1 SER 36 70.358 -9.011 6.216 273 HG SER 36 HG SER 36 71.322 -8.966 8.226 274 H TRP 37 HN TRP 37 70.403 -4.664 6.836 275 HA TRP 37 HA TRP 37 72.736 -4.827 5.009 276 HB2 TRP 37 HB2 TRP 37 71.249 -2.456 6.146 277 HB3 TRP 37 HB1 TRP 37 72.708 -2.350 5.162 278 HD1 TRP 37 HD1 TRP 37 69.004 -2.879 4.940 279 HE1 TRP 37 HE1 TRP 37 68.323 -3.148 2.468 280 HE3 TRP 37 HE3 TRP 37 73.617 -3.311 2.810 281 HZ2 TRP 37 HZ2 TRP 37 69.579 -3.498 -0.079 282 HZ3 TRP 37 HZ3 TRP 37 73.851 -3.610 0.362 283 HH2 TRP 37 HH2 TRP 37 71.839 -3.704 -1.080 284 H TYR 38 HN TYR 38 74.454 -5.493 6.101 285 HA TYR 38 HA TYR 38 75.391 -3.859 8.331 286 HB2 TYR 38 HB2 TYR 38 75.071 -6.853 8.632 287 HB3 TYR 38 HB1 TYR 38 75.929 -5.794 9.758 288 HD1 TYR 38 HD2 TYR 38 72.595 -6.445 8.208 289 HD2 TYR 38 HD1 TYR 38 74.744 -4.541 11.398 290 HE1 TYR 38 HE2 TYR 38 70.452 -5.901 9.327 291 HE2 TYR 38 HE1 TYR 38 72.598 -3.997 12.519 292 HH TYR 38 HH TYR 38 70.108 -5.177 12.392 293 H ILE 39 HN ILE 39 77.558 -3.970 8.683 294 HA ILE 39 HA ILE 39 79.179 -5.480 6.724 295 HB ILE 39 HB ILE 39 80.636 -3.596 6.441 296 HG12 ILE 39 HG12 ILE 39 80.638 -2.662 8.709 297 HG13 ILE 39 HG11 ILE 39 80.232 -1.407 7.549 298 HG21 ILE 39 HG21 ILE 39 77.895 -2.343 6.321 299 HG22 ILE 39 HG22 ILE 39 78.342 -3.665 5.248 300 HG23 ILE 39 HG23 ILE 39 79.248 -2.154 5.208 301 HD11 ILE 39 HD11 ILE 39 78.492 -2.709 9.606 302 HD12 ILE 39 HD12 ILE 39 77.737 -2.140 8.120 303 HD13 ILE 39 HD13 ILE 39 78.610 -1.013 9.154 304 H ASN 40 HN ASN 40 80.789 -6.752 7.746 305 HA ASN 40 HA ASN 40 80.772 -6.942 10.527 306 HB2 ASN 40 HB2 ASN 40 82.856 -7.780 8.497 307 HB3 ASN 40 HB1 ASN 40 82.845 -8.280 10.188 308 HD21 ASN 40 HD21 ASN 40 80.582 -9.278 10.877 309 HD22 ASN 40 HD22 ASN 40 79.892 -10.349 9.754 310 H GLY 41 HN GLY 41 81.349 -5.356 11.849 311 HA2 GLY 41 HA2 GLY 41 83.496 -4.422 12.798 312 HA3 GLY 41 HA1 GLY 41 83.742 -3.728 11.201 313 H ALA 42 HN ALA 42 80.465 -3.552 11.586 314 HA ALA 42 HA ALA 42 80.362 -1.288 13.395 315 HB1 ALA 42 HB1 ALA 42 81.146 0.122 11.741 316 HB2 ALA 42 HB2 ALA 42 79.432 0.134 11.320 317 HB3 ALA 42 HB3 ALA 42 80.551 -0.907 10.439 318 H ALA 43 HN ALA 43 78.806 -2.896 14.221 319 HA ALA 43 HA ALA 43 76.515 -3.770 12.923 320 HB1 ALA 43 HB1 ALA 43 76.578 -2.798 15.785 321 HB2 ALA 43 HB2 ALA 43 77.248 -4.349 15.278 322 HB3 ALA 43 HB3 ALA 43 75.524 -4.029 15.091 323 H VAL 44 HN VAL 44 75.709 -2.218 11.504 324 HA VAL 44 HA VAL 44 75.114 0.450 12.287 325 HB VAL 44 HB VAL 44 75.471 -0.056 9.958 326 HG11 VAL 44 HG11 VAL 44 72.891 -1.614 9.854 327 HG12 VAL 44 HG12 VAL 44 74.420 -2.415 10.211 328 HG13 VAL 44 HG13 VAL 44 74.206 -1.564 8.684 329 HG21 VAL 44 HG21 VAL 44 72.542 0.626 10.351 330 HG22 VAL 44 HG22 VAL 44 73.570 1.093 8.998 331 HG23 VAL 44 HG23 VAL 44 73.865 1.766 10.598 332 H GLN 45 HN GLN 45 73.831 0.695 13.990 333 HA GLN 45 HA GLN 45 71.322 -0.802 14.229 334 HB2 GLN 45 HB2 GLN 45 72.959 0.958 16.044 335 HB3 GLN 45 HB1 GLN 45 71.256 0.722 16.413 336 HG2 GLN 45 HG2 GLN 45 71.671 -1.778 16.284 337 HG3 GLN 45 HG1 GLN 45 73.392 -1.412 16.168 338 HE21 GLN 45 HE21 GLN 45 72.367 1.039 18.066 339 HE22 GLN 45 HE22 GLN 45 72.504 0.322 19.598 340 HA PRO 46 HA PRO 46 68.624 2.237 12.550 341 HB2 PRO 46 HB2 PRO 46 66.977 2.664 14.898 342 HB3 PRO 46 HB1 PRO 46 66.610 1.683 13.471 343 HG2 PRO 46 HG2 PRO 46 67.544 0.833 16.118 344 HG3 PRO 46 HG1 PRO 46 66.782 -0.121 14.836 345 HD2 PRO 46 HD2 PRO 46 69.439 -0.345 15.530 346 HD3 PRO 46 HD1 PRO 46 68.807 -0.748 13.923 347 H ASP 47 HN ASP 47 70.000 2.854 15.742 348 HA ASP 47 HA ASP 47 69.642 5.743 15.528 349 HB2 ASP 47 HB2 ASP 47 70.835 5.766 17.712 350 HB3 ASP 47 HB1 ASP 47 69.418 4.716 17.725 351 H ASP 48 HN ASP 48 71.528 3.780 13.917 352 HA ASP 48 HA ASP 48 74.187 4.390 14.307 353 HB2 ASP 48 HB2 ASP 48 74.389 4.040 11.800 354 HB3 ASP 48 HB1 ASP 48 73.621 2.739 12.699 355 H SER 49 HN SER 49 75.415 6.153 14.136 356 HA SER 49 HA SER 49 74.207 8.636 13.177 357 HB2 SER 49 HB2 SER 49 76.075 9.723 14.262 358 HB3 SER 49 HB1 SER 49 75.365 8.548 15.368 359 HG SER 49 HG SER 49 77.862 8.675 14.375 360 H ASP 50 HN ASP 50 77.186 6.703 12.532 361 HA ASP 50 HA ASP 50 78.068 8.458 10.458 362 HB2 ASP 50 HB2 ASP 50 79.676 7.117 11.657 363 HB3 ASP 50 HB1 ASP 50 78.862 5.633 11.171 364 H TRP 51 HN TRP 51 76.265 5.404 10.516 365 HA TRP 51 HA TRP 51 75.967 5.551 7.570 366 HB2 TRP 51 HB2 TRP 51 75.202 3.219 9.326 367 HB3 TRP 51 HB1 TRP 51 75.436 3.243 7.580 368 HD1 TRP 51 HD1 TRP 51 77.849 2.931 6.667 369 HE1 TRP 51 HE1 TRP 51 80.106 2.368 7.773 370 HE3 TRP 51 HE3 TRP 51 76.645 3.644 11.584 371 HZ2 TRP 51 HZ2 TRP 51 81.240 2.231 10.388 372 HZ3 TRP 51 HZ3 TRP 51 78.336 3.281 13.354 373 HH2 TRP 51 HH2 TRP 51 80.634 2.571 12.755 374 H THR 52 HN THR 52 73.968 5.315 6.614 375 HA THR 52 HA THR 52 71.583 5.652 8.343 376 HB THR 52 HB THR 52 72.139 7.091 5.734 377 HG1 THR 52 HG1 THR 52 73.244 7.777 7.732 378 HG21 THR 52 HG21 THR 52 70.037 8.336 6.466 379 HG22 THR 52 HG22 THR 52 69.791 7.034 7.629 380 HG23 THR 52 HG23 THR 52 69.795 6.684 5.900 381 H VAL 53 HN VAL 53 69.988 4.210 7.871 382 HA VAL 53 HA VAL 53 70.116 2.781 5.269 383 HB VAL 53 HB VAL 53 70.867 1.182 6.870 384 HG11 VAL 53 HG11 VAL 53 69.692 0.780 9.002 385 HG12 VAL 53 HG12 VAL 53 68.545 2.061 8.614 386 HG13 VAL 53 HG13 VAL 53 70.243 2.451 8.889 387 HG21 VAL 53 HG21 VAL 53 69.280 -0.520 6.586 388 HG22 VAL 53 HG22 VAL 53 68.764 0.624 5.348 389 HG23 VAL 53 HG23 VAL 53 67.914 0.553 6.892 390 H THR 54 HN THR 54 68.280 2.693 4.166 391 HA THR 54 HA THR 54 65.724 3.226 5.520 392 HB THR 54 HB THR 54 65.139 5.004 4.140 393 HG1 THR 54 HG1 THR 54 65.698 4.241 2.158 394 HG21 THR 54 HG21 THR 54 68.115 5.394 4.436 395 HG22 THR 54 HG22 THR 54 66.979 5.548 5.775 396 HG23 THR 54 HG23 THR 54 66.878 6.648 4.399 397 H ALA 55 HN ALA 55 63.905 2.513 4.379 398 HA ALA 55 HA ALA 55 64.424 0.790 2.020 399 HB1 ALA 55 HB1 ALA 55 62.787 -0.830 2.985 400 HB2 ALA 55 HB2 ALA 55 62.798 0.104 4.481 401 HB3 ALA 55 HB3 ALA 55 64.270 -0.696 3.928 402 H ASP 56 HN ASP 56 63.481 2.117 0.541 403 HA ASP 56 HA ASP 56 60.654 2.899 0.981 404 HB2 ASP 56 HB2 ASP 56 62.376 4.739 0.626 405 HB3 ASP 56 HB1 ASP 56 62.556 4.124 -1.017 406 H GLY 57 HN GLY 57 59.441 1.337 0.091 407 HA2 GLY 57 HA2 GLY 57 58.484 -0.010 -1.509 408 HA3 GLY 57 HA1 GLY 57 59.248 1.041 -2.698 409 H SER 58 HN SER 58 60.202 -0.264 -4.126 410 HA SER 58 HA SER 58 61.605 -2.691 -3.251 411 HB2 SER 58 HB2 SER 58 61.268 -1.686 -6.075 412 HB3 SER 58 HB1 SER 58 61.607 -3.329 -5.536 413 HG SER 58 HG SER 58 59.345 -2.211 -4.450 414 H HIS 59 HN HIS 59 62.709 -0.124 -2.528 415 HA HIS 59 HA HIS 59 65.323 -0.343 -3.886 416 HB2 HIS 59 HB2 HIS 59 64.010 1.527 -4.901 417 HB3 HIS 59 HB1 HIS 59 63.924 2.279 -3.307 418 HD1 HIS 59 HD1 HIS 59 66.313 2.854 -2.184 419 HD2 HIS 59 HD2 HIS 59 66.363 2.083 -6.281 420 HE1 HIS 59 HE1 HIS 59 68.498 3.783 -3.060 421 H HIS 60 HN HIS 60 66.992 -0.346 -2.493 422 HA HIS 60 HA HIS 60 66.513 0.549 0.309 423 HB2 HIS 60 HB2 HIS 60 68.238 -1.703 -0.757 424 HB3 HIS 60 HB1 HIS 60 68.282 -1.129 0.910 425 HD1 HIS 60 HD1 HIS 60 66.011 -2.855 -1.564 426 HD2 HIS 60 HD2 HIS 60 66.118 -1.964 2.508 427 HE1 HIS 60 HE1 HIS 60 64.128 -4.167 -0.496 428 H ALA 61 HN ALA 61 67.996 2.023 1.160 429 HA ALA 61 HA ALA 61 70.387 2.616 -0.506 430 HB1 ALA 61 HB1 ALA 61 68.695 4.657 0.946 431 HB2 ALA 61 HB2 ALA 61 68.564 4.313 -0.779 432 HB3 ALA 61 HB3 ALA 61 70.062 4.970 -0.121 433 H LEU 62 HN LEU 62 72.238 2.917 0.516 434 HA LEU 62 HA LEU 62 72.302 3.124 3.457 435 HB2 LEU 62 HB2 LEU 62 72.752 0.756 2.695 436 HB3 LEU 62 HB1 LEU 62 74.152 1.379 1.826 437 HG LEU 62 HG LEU 62 74.813 2.419 4.158 438 HD11 LEU 62 HD11 LEU 62 74.056 1.079 6.064 439 HD12 LEU 62 HD12 LEU 62 73.034 0.110 5.006 440 HD13 LEU 62 HD13 LEU 62 72.666 1.812 5.273 441 HD21 LEU 62 HD21 LEU 62 75.946 0.263 4.764 442 HD22 LEU 62 HD22 LEU 62 76.147 0.710 3.069 443 HD23 LEU 62 HD23 LEU 62 74.988 -0.539 3.520 444 H LEU 63 HN LEU 63 73.825 4.553 4.234 445 HA LEU 63 HA LEU 63 75.642 5.793 2.227 446 HB2 LEU 63 HB2 LEU 63 74.100 7.142 4.450 447 HB3 LEU 63 HB1 LEU 63 75.410 7.910 3.556 448 HG LEU 63 HG LEU 63 73.932 7.113 1.445 449 HD11 LEU 63 HD11 LEU 63 71.591 7.090 1.859 450 HD12 LEU 63 HD12 LEU 63 71.795 7.703 3.500 451 HD13 LEU 63 HD13 LEU 63 72.277 6.055 3.112 452 HD21 LEU 63 HD21 LEU 63 72.949 9.367 1.424 453 HD22 LEU 63 HD22 LEU 63 74.610 9.435 2.018 454 HD23 LEU 63 HD23 LEU 63 73.263 9.533 3.154 455 H LEU 64 HN LEU 64 77.388 6.913 3.040 456 HA LEU 64 HA LEU 64 78.397 6.263 5.698 457 HB2 LEU 64 HB2 LEU 64 79.387 4.564 4.051 458 HB3 LEU 64 HB1 LEU 64 80.159 5.939 3.263 459 HG LEU 64 HG LEU 64 81.104 6.559 5.558 460 HD11 LEU 64 HD11 LEU 64 79.986 3.817 6.155 461 HD12 LEU 64 HD12 LEU 64 79.864 5.287 7.121 462 HD13 LEU 64 HD13 LEU 64 81.394 4.425 7.022 463 HD21 LEU 64 HD21 LEU 64 83.013 5.164 5.266 464 HD22 LEU 64 HD22 LEU 64 82.346 5.392 3.653 465 HD23 LEU 64 HD23 LEU 64 82.056 3.885 4.523 466 H ARG 65 HN ARG 65 78.622 8.275 6.452 467 HA ARG 65 HA ARG 65 78.855 10.537 4.799 468 HB2 ARG 65 HB2 ARG 65 79.484 10.151 7.739 469 HB3 ARG 65 HB1 ARG 65 79.426 11.722 6.935 470 HG2 ARG 65 HG2 ARG 65 77.098 11.337 6.283 471 HG3 ARG 65 HG1 ARG 65 77.135 9.740 7.030 472 HD2 ARG 65 HD2 ARG 65 77.602 10.786 9.221 473 HD3 ARG 65 HD1 ARG 65 77.525 12.377 8.470 474 HE ARG 65 HE ARG 65 75.262 10.589 9.009 475 HH11 ARG 65 HH11 ARG 65 75.666 13.630 9.618 476 HH12 ARG 65 HH12 ARG 65 74.488 14.317 8.552 477 HH21 ARG 65 HH21 ARG 65 74.066 11.393 6.725 478 HH22 ARG 65 HH22 ARG 65 73.566 13.039 6.917 479 H SER 66 HN SER 66 81.186 11.324 6.868 480 HA SER 66 HA SER 66 83.272 11.102 4.900 481 HB2 SER 66 HB2 SER 66 84.596 12.422 6.373 482 HB3 SER 66 HB1 SER 66 82.956 13.058 6.482 483 HG SER 66 HG SER 66 83.140 11.117 8.244 484 H ALA 67 HN ALA 67 84.140 9.168 4.579 485 HA ALA 67 HA ALA 67 84.314 7.097 6.483 486 HB1 ALA 67 HB1 ALA 67 84.436 6.966 3.917 487 HB2 ALA 67 HB2 ALA 67 85.505 5.905 4.831 488 HB3 ALA 67 HB3 ALA 67 86.141 7.381 4.101 489 H GLN 68 HN GLN 68 85.847 6.492 7.877 490 HA GLN 68 HA GLN 68 88.412 7.941 7.957 491 HB2 GLN 68 HB2 GLN 68 86.576 7.387 10.297 492 HB3 GLN 68 HB1 GLN 68 88.225 8.000 10.440 493 HG2 GLN 68 HG2 GLN 68 87.623 9.960 9.074 494 HG3 GLN 68 HG1 GLN 68 85.979 9.347 8.915 495 HE21 GLN 68 HE21 GLN 68 85.521 11.565 9.987 496 HE22 GLN 68 HE22 GLN 68 85.525 11.610 11.682 497 HA PRO 69 HA PRO 69 89.859 3.731 7.942 498 HB2 PRO 69 HB2 PRO 69 92.218 4.273 9.540 499 HB3 PRO 69 HB1 PRO 69 92.114 4.013 7.795 500 HG2 PRO 69 HG2 PRO 69 92.492 6.491 9.227 501 HG3 PRO 69 HG1 PRO 69 92.544 6.201 7.484 502 HD2 PRO 69 HD2 PRO 69 90.510 7.592 8.903 503 HD3 PRO 69 HD1 PRO 69 90.452 7.083 7.203 504 H HIS 70 HN HIS 70 88.149 2.971 9.268 505 HA HIS 70 HA HIS 70 88.968 1.783 11.702 506 HB2 HIS 70 HB2 HIS 70 88.420 4.376 12.195 507 HB3 HIS 70 HB1 HIS 70 86.779 3.750 12.290 508 HD1 HIS 70 HD1 HIS 70 90.012 3.852 14.108 509 HD2 HIS 70 HD2 HIS 70 86.404 1.785 14.412 510 HE1 HIS 70 HE1 HIS 70 90.003 2.757 16.392 511 H HIS 71 HN HIS 71 86.270 2.947 9.747 512 HA HIS 71 HA HIS 71 84.472 0.861 10.630 513 HB2 HIS 71 HB2 HIS 71 82.952 1.803 8.941 514 HB3 HIS 71 HB1 HIS 71 83.586 3.044 10.025 515 HD1 HIS 71 HD1 HIS 71 86.024 4.069 8.986 516 HD2 HIS 71 HD2 HIS 71 83.171 2.604 6.331 517 HE1 HIS 71 HE1 HIS 71 86.614 5.007 6.711 518 H ALA 72 HN ALA 72 87.025 0.937 8.429 519 HA ALA 72 HA ALA 72 86.115 -0.426 6.200 520 HB1 ALA 72 HB1 ALA 72 88.472 0.398 6.643 521 HB2 ALA 72 HB2 ALA 72 88.354 -1.185 5.872 522 HB3 ALA 72 HB3 ALA 72 88.718 -1.067 7.593 523 H GLY 73 HN GLY 73 86.004 -2.653 5.648 524 HA2 GLY 73 HA2 GLY 73 86.453 -4.877 7.162 525 HA3 GLY 73 HA1 GLY 73 84.907 -4.286 7.761 526 H GLU 74 HN GLU 74 84.085 -6.364 6.939 527 HA GLU 74 HA GLU 74 83.902 -6.607 4.016 528 HB2 GLU 74 HB2 GLU 74 83.808 -8.438 6.284 529 HB3 GLU 74 HB1 GLU 74 82.431 -8.706 5.224 530 HG2 GLU 74 HG2 GLU 74 85.311 -8.579 4.273 531 HG3 GLU 74 HG1 GLU 74 84.438 -10.073 4.612 532 H VAL 75 HN VAL 75 81.932 -6.678 2.885 533 HA VAL 75 HA VAL 75 79.629 -5.438 4.296 534 HB VAL 75 HB VAL 75 80.500 -5.180 1.408 535 HG11 VAL 75 HG11 VAL 75 78.234 -3.853 2.931 536 HG12 VAL 75 HG12 VAL 75 78.050 -5.056 1.656 537 HG13 VAL 75 HG13 VAL 75 78.714 -3.469 1.280 538 HG21 VAL 75 HG21 VAL 75 82.001 -3.886 2.715 539 HG22 VAL 75 HG22 VAL 75 80.732 -3.386 3.830 540 HG23 VAL 75 HG23 VAL 75 80.775 -2.733 2.191 541 H THR 76 HN THR 76 77.944 -6.768 4.510 542 HA THR 76 HA THR 76 77.364 -8.720 2.352 543 HB THR 76 HB THR 76 77.114 -9.220 5.328 544 HG1 THR 76 HG1 THR 76 79.226 -9.282 3.899 545 HG21 THR 76 HG21 THR 76 76.756 -11.608 4.381 546 HG22 THR 76 HG22 THR 76 76.394 -10.798 2.859 547 HG23 THR 76 HG23 THR 76 75.410 -10.474 4.287 548 H PHE 77 HN PHE 77 75.288 -8.880 1.725 549 HA PHE 77 HA PHE 77 73.171 -7.671 3.378 550 HB2 PHE 77 HB2 PHE 77 73.528 -5.860 1.944 551 HB3 PHE 77 HB1 PHE 77 73.901 -6.883 0.566 552 HD1 PHE 77 HD2 PHE 77 70.989 -7.035 2.932 553 HD2 PHE 77 HD1 PHE 77 72.319 -6.286 -1.077 554 HE1 PHE 77 HE2 PHE 77 68.642 -6.834 2.196 555 HE2 PHE 77 HE1 PHE 77 69.963 -6.088 -1.814 556 HZ PHE 77 HZ PHE 77 68.121 -6.358 -0.180 557 H ALA 78 HN ALA 78 71.328 -8.827 3.397 558 HA ALA 78 HA ALA 78 71.014 -11.012 1.405 559 HB1 ALA 78 HB1 ALA 78 71.978 -11.847 3.570 560 HB2 ALA 78 HB2 ALA 78 70.426 -12.567 3.143 561 HB3 ALA 78 HB3 ALA 78 70.503 -11.302 4.368 562 H CYS 79 HN CYS 79 68.915 -11.515 0.812 563 HA CYS 79 HA CYS 79 66.673 -10.344 2.230 564 HB2 CYS 79 HB2 CYS 79 67.773 -8.627 0.535 565 HB3 CYS 79 HB1 CYS 79 66.827 -9.532 -0.648 566 HG CYS 79 HG CYS 79 65.079 -8.815 1.703 567 H ARG 80 HN ARG 80 65.006 -10.408 -0.144 568 HA ARG 80 HA ARG 80 63.979 -12.994 0.010 569 HB2 ARG 80 HB2 ARG 80 63.091 -12.120 -2.472 570 HB3 ARG 80 HB1 ARG 80 62.337 -11.713 -0.935 571 HG2 ARG 80 HG2 ARG 80 63.618 -9.655 -0.782 572 HG3 ARG 80 HG1 ARG 80 64.541 -10.076 -2.224 573 HD2 ARG 80 HD2 ARG 80 61.544 -9.629 -2.133 574 HD3 ARG 80 HD1 ARG 80 62.724 -8.451 -2.702 575 HE ARG 80 HE ARG 80 61.735 -10.706 -4.164 576 HH11 ARG 80 HH21 ARG 80 64.581 -11.421 -4.170 577 HH12 ARG 80 HH22 ARG 80 65.235 -10.503 -5.485 578 HH21 ARG 80 HH11 ARG 80 62.543 -8.318 -5.638 579 HH22 ARG 80 HH12 ARG 80 64.079 -8.749 -6.318 580 H ASP 81 HN ASP 81 65.785 -14.399 -0.187 581 HA ASP 81 HA ASP 81 67.266 -15.785 -1.272 582 HB2 ASP 81 HB2 ASP 81 65.180 -15.340 -3.415 583 HB3 ASP 81 HB1 ASP 81 66.491 -16.507 -3.572 584 H ALA 82 HN ALA 82 67.249 -12.649 -1.832 585 HA ALA 82 HA ALA 82 68.984 -12.629 -4.203 586 HB1 ALA 82 HB1 ALA 82 67.160 -10.886 -3.782 587 HB2 ALA 82 HB2 ALA 82 68.763 -10.268 -4.185 588 HB3 ALA 82 HB3 ALA 82 68.207 -10.255 -2.511 589 H VAL 83 HN VAL 83 70.879 -13.599 -3.478 590 HA VAL 83 HA VAL 83 72.147 -12.722 -1.026 591 HB VAL 83 HB VAL 83 72.273 -15.076 -1.905 592 HG11 VAL 83 HG11 VAL 83 74.285 -13.938 -3.862 593 HG12 VAL 83 HG12 VAL 83 72.614 -14.276 -4.311 594 HG13 VAL 83 HG13 VAL 83 73.670 -15.587 -3.780 595 HG21 VAL 83 HG21 VAL 83 75.039 -13.849 -1.730 596 HG22 VAL 83 HG22 VAL 83 74.494 -15.415 -1.131 597 HG23 VAL 83 HG23 VAL 83 73.985 -13.937 -0.319 598 H ALA 84 HN ALA 84 73.612 -11.161 -0.807 599 HA ALA 84 HA ALA 84 74.994 -10.103 -3.195 600 HB1 ALA 84 HB1 ALA 84 73.576 -8.470 -1.081 601 HB2 ALA 84 HB2 ALA 84 73.096 -8.632 -2.769 602 HB3 ALA 84 HB3 ALA 84 74.597 -7.806 -2.354 603 H SER 85 HN SER 85 76.855 -8.681 -2.569 604 HA SER 85 HA SER 85 77.967 -8.957 0.074 605 HB2 SER 85 HB2 SER 85 79.916 -10.282 -0.533 606 HB3 SER 85 HB1 SER 85 78.449 -11.197 -0.866 607 HG SER 85 HG SER 85 79.342 -9.587 -2.923 608 H ALA 86 HN ALA 86 80.469 -8.288 -0.141 609 HA ALA 86 HA ALA 86 81.373 -6.719 -2.220 610 HB1 ALA 86 HB1 ALA 86 79.920 -4.964 -2.212 611 HB2 ALA 86 HB2 ALA 86 80.802 -4.422 -0.788 612 HB3 ALA 86 HB3 ALA 86 79.317 -5.355 -0.606 613 H ARG 87 HN ARG 87 82.906 -4.882 -1.334 614 HA ARG 87 HA ARG 87 84.134 -5.688 1.223 615 HB2 ARG 87 HB2 ARG 87 85.616 -5.423 -1.406 616 HB3 ARG 87 HB1 ARG 87 86.380 -5.556 0.176 617 HG2 ARG 87 HG2 ARG 87 85.285 -7.745 0.521 618 HG3 ARG 87 HG1 ARG 87 84.553 -7.616 -1.082 619 HD2 ARG 87 HD2 ARG 87 86.767 -7.517 -2.112 620 HD3 ARG 87 HD1 ARG 87 87.532 -7.581 -0.529 621 HE ARG 87 HE ARG 87 85.849 -9.829 -0.823 622 HH11 ARG 87 HH11 ARG 87 88.800 -9.781 -0.019 623 HH12 ARG 87 HH12 ARG 87 89.515 -10.707 -1.293 624 HH21 ARG 87 HH21 ARG 87 86.764 -10.442 -3.385 625 HH22 ARG 87 HH22 ARG 87 88.366 -11.075 -3.206 626 H LEU 88 HN LEU 88 84.609 -3.969 2.401 627 HA LEU 88 HA LEU 88 84.748 -1.323 1.065 628 HB2 LEU 88 HB2 LEU 88 82.817 -1.644 2.620 629 HB3 LEU 88 HB1 LEU 88 83.969 -1.930 3.925 630 HG LEU 88 HG LEU 88 84.968 0.324 3.510 631 HD11 LEU 88 HD11 LEU 88 82.905 0.307 1.315 632 HD12 LEU 88 HD12 LEU 88 84.543 0.960 1.310 633 HD13 LEU 88 HD13 LEU 88 83.252 1.838 2.122 634 HD21 LEU 88 HD21 LEU 88 82.017 0.062 4.137 635 HD22 LEU 88 HD22 LEU 88 82.855 1.605 4.265 636 HD23 LEU 88 HD23 LEU 88 83.363 0.241 5.263 637 H THR 89 HN THR 89 86.611 -0.228 1.251 638 HA THR 89 HA THR 89 88.423 -0.862 3.479 639 HB THR 89 HB THR 89 89.204 -2.318 1.717 640 HG1 THR 89 HG1 THR 89 91.027 -0.313 1.332 641 HG21 THR 89 HG21 THR 89 88.197 -1.266 -0.216 642 HG22 THR 89 HG22 THR 89 89.941 -1.288 -0.465 643 HG23 THR 89 HG23 THR 89 89.139 0.203 0.030 644 H VAL 90 HN VAL 90 90.027 0.724 3.865 645 HA VAL 90 HA VAL 90 89.378 3.375 2.695 646 HB VAL 90 HB VAL 90 90.162 2.624 5.521 647 HG11 VAL 90 HG11 VAL 90 91.349 4.631 5.120 648 HG12 VAL 90 HG12 VAL 90 89.841 5.177 5.855 649 HG13 VAL 90 HG13 VAL 90 90.066 5.293 4.108 650 HG21 VAL 90 HG21 VAL 90 87.692 2.504 4.575 651 HG22 VAL 90 HG22 VAL 90 87.758 4.261 4.737 652 HG23 VAL 90 HG23 VAL 90 88.001 3.235 6.148 653 H LEU 91 HN LEU 91 91.007 4.247 1.594 654 HA LEU 91 HA LEU 91 93.676 3.124 1.741 655 HB2 LEU 91 HB2 LEU 91 92.523 5.457 0.181 656 HB3 LEU 91 HB1 LEU 91 94.192 4.913 0.040 657 HG LEU 91 HG LEU 91 91.805 3.099 -0.416 658 HD11 LEU 91 HD11 LEU 91 91.632 4.767 -2.109 659 HD12 LEU 91 HD12 LEU 91 92.464 3.414 -2.876 660 HD13 LEU 91 HD13 LEU 91 93.378 4.822 -2.340 661 HD21 LEU 91 HD21 LEU 91 93.684 1.897 -1.800 662 HD22 LEU 91 HD22 LEU 91 93.688 1.720 -0.051 663 HD23 LEU 91 HD23 LEU 91 94.793 2.857 -0.823 664 H GLY 92 HN GLY 92 95.448 3.996 2.700 665 HA2 GLY 92 HA2 GLY 92 95.612 6.690 3.628 666 HA3 GLY 92 HA1 GLY 92 95.227 5.590 4.948 667 H LEU 93 HN LEU 93 96.679 3.343 3.968 668 HA LEU 93 HA LEU 93 99.449 4.248 4.470 669 HB2 LEU 93 HB2 LEU 93 99.735 1.731 5.001 670 HB3 LEU 93 HB1 LEU 93 98.892 2.740 6.170 671 HG LEU 93 HG LEU 93 97.220 1.424 4.047 672 HD11 LEU 93 HD11 LEU 93 98.531 -0.471 4.639 673 HD12 LEU 93 HD12 LEU 93 97.050 -0.607 5.589 674 HD13 LEU 93 HD13 LEU 93 98.535 -0.030 6.347 675 HD21 LEU 93 HD21 LEU 93 95.656 1.198 5.994 676 HD22 LEU 93 HD22 LEU 93 96.126 2.867 5.693 677 HD23 LEU 93 HD23 LEU 93 96.865 1.969 7.016 678 HA PRO 94 HA PRO 94 99.684 3.019 0.087 679 HB2 PRO 94 HB2 PRO 94 102.508 3.709 0.055 680 HB3 PRO 94 HB1 PRO 94 101.166 4.529 -0.754 681 HG2 PRO 94 HG2 PRO 94 102.623 5.452 1.486 682 HG3 PRO 94 HG1 PRO 94 101.164 6.169 0.790 683 HD2 PRO 94 HD2 PRO 94 101.441 4.673 3.291 684 HD3 PRO 94 HD1 PRO 94 100.047 5.596 2.694 685 H ASP 95 HN ASP 95 100.365 1.144 -0.864 686 HA ASP 95 HA ASP 95 101.904 -0.737 0.838 687 HB2 ASP 95 HB2 ASP 95 99.897 -1.198 -1.374 688 HB3 ASP 95 HB1 ASP 95 100.858 -2.482 -0.644 689 H GLY 96 HN GLY 96 101.715 0.806 -2.272 690 HA2 GLY 96 HA2 GLY 96 104.038 1.128 -3.267 691 HA3 GLY 96 HA1 GLY 96 104.125 -0.632 -3.227 692 H LEU 97 HN LEU 97 103.790 -1.483 -5.163 693 HA LEU 97 HA LEU 97 101.847 -0.199 -7.008 694 HB2 LEU 97 HB2 LEU 97 104.191 -2.023 -7.592 695 HB3 LEU 97 HB1 LEU 97 103.093 -1.356 -8.796 696 HG LEU 97 HG LEU 97 104.768 0.318 -6.903 697 HD11 LEU 97 HD11 LEU 97 106.259 -0.840 -8.393 698 HD12 LEU 97 HD12 LEU 97 106.089 0.803 -9.006 699 HD13 LEU 97 HD13 LEU 97 105.215 -0.521 -9.779 700 HD21 LEU 97 HD21 LEU 97 102.833 0.926 -9.144 701 HD22 LEU 97 HD22 LEU 97 104.179 2.023 -8.841 702 HD23 LEU 97 HD23 LEU 97 103.001 1.711 -7.572 703 H GLU 98 HN GLU 98 100.054 -1.269 -7.506 704 HA GLU 98 HA GLU 98 100.000 -4.192 -7.447 705 HB2 GLU 98 HB2 GLU 98 99.363 -3.501 -5.149 706 HB3 GLU 98 HB1 GLU 98 98.035 -2.557 -5.823 707 HG2 GLU 98 HG2 GLU 98 97.059 -4.589 -6.807 708 HG3 GLU 98 HG1 GLU 98 98.415 -5.543 -6.206 709 H HIS 99 HN HIS 99 97.044 -2.391 -7.234 710 HA HIS 99 HA HIS 99 96.542 -2.918 -10.100 711 HB2 HIS 99 HB2 HIS 99 95.046 -3.921 -8.289 712 HB3 HIS 99 HB1 HIS 99 94.488 -2.278 -7.977 713 HD1 HIS 99 HD1 HIS 99 93.234 -1.054 -9.970 714 HD2 HIS 99 HD2 HIS 99 93.999 -5.102 -10.612 715 HE1 HIS 99 HE1 HIS 99 91.781 -1.758 -11.923 716 H HIS 100 HN HIS 100 98.066 -0.821 -10.009 717 HA HIS 100 HA HIS 100 96.917 1.687 -9.404 718 HB2 HIS 100 HB2 HIS 100 99.326 1.393 -9.786 719 HB3 HIS 100 HB1 HIS 100 99.015 0.995 -11.476 720 HD1 HIS 100 HD1 HIS 100 98.497 2.915 -13.082 721 HD2 HIS 100 HD2 HIS 100 98.813 4.167 -9.118 722 HE1 HIS 100 HE1 HIS 100 98.521 5.447 -13.130 723 H HIS 101 HN HIS 101 96.951 -0.263 -12.352 724 HA HIS 101 HA HIS 101 95.715 1.640 -14.027 725 HB2 HIS 101 HB2 HIS 101 96.915 -0.560 -14.648 726 HB3 HIS 101 HB1 HIS 101 95.370 -1.341 -14.316 727 HD1 HIS 101 HD1 HIS 101 95.872 2.039 -15.957 728 HD2 HIS 101 HD2 HIS 101 94.486 -1.768 -16.937 729 HE1 HIS 101 HE1 HIS 101 94.909 2.209 -18.292 730 H HIS 102 HN HIS 102 93.739 2.434 -13.954 731 HA HIS 102 HA HIS 102 91.771 1.538 -12.123 732 HB2 HIS 102 HB2 HIS 102 91.578 3.422 -14.480 733 HB3 HIS 102 HB1 HIS 102 90.329 3.218 -13.249 734 HD1 HIS 102 HD1 HIS 102 91.019 3.892 -10.756 735 HD2 HIS 102 HD2 HIS 102 93.734 5.022 -13.710 736 HE1 HIS 102 HE1 HIS 102 92.587 5.571 -9.685 737 H HIS 103 HN HIS 103 92.031 1.240 -15.672 738 HA HIS 103 HA HIS 103 89.541 -0.155 -15.935 739 HB2 HIS 103 HB2 HIS 103 91.894 0.075 -17.829 740 HB3 HIS 103 HB1 HIS 103 90.320 -0.609 -18.247 741 HD1 HIS 103 HD1 HIS 103 88.249 1.061 -18.179 742 HD2 HIS 103 HD2 HIS 103 91.979 2.877 -17.767 743 HE1 HIS 103 HE1 HIS 103 87.881 3.543 -18.529 744 H HIS 104 HN HIS 104 89.115 -2.317 -16.107 745 HA HIS 104 HA HIS 104 90.459 -4.176 -14.636 746 HB2 HIS 104 HB2 HIS 104 89.118 -4.980 -17.210 747 HB3 HIS 104 HB1 HIS 104 89.143 -5.831 -15.665 748 HD1 HIS 104 HD1 HIS 104 87.089 -3.611 -17.642 749 HD2 HIS 104 HD2 HIS 104 87.677 -4.226 -13.563 750 HE1 HIS 104 HE1 HIS 104 85.102 -2.569 -16.469 Start of MODEL 19 1 H1 TRP 1 HT1 TRP 1 55.225 -14.115 -9.068 2 H2 TRP 1 HT2 TRP 1 56.353 -14.631 -10.228 3 H3 TRP 1 HT3 TRP 1 56.814 -13.526 -9.021 4 HA TRP 1 HA TRP 1 55.845 -15.637 -7.601 5 HB2 TRP 1 HB2 TRP 1 57.499 -16.587 -9.960 6 HB3 TRP 1 HB1 TRP 1 57.093 -17.566 -8.550 7 HD1 TRP 1 HD1 TRP 1 54.193 -17.261 -8.052 8 HE1 TRP 1 HE1 TRP 1 52.371 -17.812 -9.791 9 HE3 TRP 1 HE3 TRP 1 56.951 -16.956 -12.338 10 HZ2 TRP 1 HZ2 TRP 1 52.120 -18.088 -12.631 11 HZ3 TRP 1 HZ3 TRP 1 55.897 -17.369 -14.543 12 HH2 TRP 1 HH2 TRP 1 53.489 -17.934 -14.695 13 H ARG 2 HN ARG 2 58.952 -15.572 -9.326 14 HA ARG 2 HA ARG 2 60.342 -15.169 -6.772 15 HB2 ARG 2 HB2 ARG 2 61.311 -15.924 -9.534 16 HB3 ARG 2 HB1 ARG 2 62.376 -15.679 -8.149 17 HG2 ARG 2 HG2 ARG 2 61.201 -17.433 -6.906 18 HG3 ARG 2 HG1 ARG 2 60.081 -17.655 -8.251 19 HD2 ARG 2 HD2 ARG 2 61.976 -18.295 -9.708 20 HD3 ARG 2 HD1 ARG 2 63.076 -18.108 -8.343 21 HE ARG 2 HE ARG 2 61.133 -19.868 -7.470 22 HH11 ARG 2 HH11 ARG 2 63.472 -19.663 -10.009 23 HH12 ARG 2 HH12 ARG 2 63.639 -21.378 -10.183 24 HH21 ARG 2 HH21 ARG 2 61.306 -22.117 -7.725 25 HH22 ARG 2 HH22 ARG 2 62.412 -22.769 -8.888 26 H LEU 3 HN LEU 3 61.681 -13.474 -6.329 27 HA LEU 3 HA LEU 3 61.282 -11.056 -7.924 28 HB2 LEU 3 HB2 LEU 3 62.749 -11.405 -5.292 29 HB3 LEU 3 HB1 LEU 3 62.211 -9.895 -6.009 30 HG LEU 3 HG LEU 3 60.597 -10.397 -4.335 31 HD11 LEU 3 HD11 LEU 3 59.757 -9.848 -6.718 32 HD12 LEU 3 HD12 LEU 3 58.589 -10.466 -5.556 33 HD13 LEU 3 HD13 LEU 3 59.263 -11.539 -6.783 34 HD21 LEU 3 HD21 LEU 3 59.927 -13.126 -5.413 35 HD22 LEU 3 HD22 LEU 3 59.756 -12.490 -3.783 36 HD23 LEU 3 HD23 LEU 3 61.343 -12.961 -4.377 37 H GLU 4 HN GLU 4 62.619 -10.760 -9.568 38 HA GLU 4 HA GLU 4 65.300 -11.867 -9.593 39 HB2 GLU 4 HB2 GLU 4 65.398 -10.798 -11.866 40 HB3 GLU 4 HB1 GLU 4 64.089 -11.959 -11.662 41 HG2 GLU 4 HG2 GLU 4 62.500 -10.143 -11.264 42 HG3 GLU 4 HG1 GLU 4 63.797 -8.956 -11.380 43 H ILE 5 HN ILE 5 67.220 -10.651 -9.849 44 HA ILE 5 HA ILE 5 67.173 -8.041 -8.493 45 HB ILE 5 HB ILE 5 69.640 -9.547 -9.381 46 HG12 ILE 5 HG12 ILE 5 68.140 -11.053 -7.992 47 HG13 ILE 5 HG11 ILE 5 69.726 -10.737 -7.300 48 HG21 ILE 5 HG21 ILE 5 69.070 -7.539 -7.182 49 HG22 ILE 5 HG22 ILE 5 69.963 -7.248 -8.672 50 HG23 ILE 5 HG23 ILE 5 70.624 -8.331 -7.447 51 HD11 ILE 5 HD11 ILE 5 67.865 -10.580 -5.637 52 HD12 ILE 5 HD12 ILE 5 67.212 -9.220 -6.537 53 HD13 ILE 5 HD13 ILE 5 68.796 -9.090 -5.774 54 H LEU 6 HN LEU 6 67.132 -6.231 -9.722 55 HA LEU 6 HA LEU 6 67.738 -6.441 -12.562 56 HB2 LEU 6 HB2 LEU 6 66.625 -4.262 -10.803 57 HB3 LEU 6 HB1 LEU 6 67.032 -3.988 -12.498 58 HG LEU 6 HG LEU 6 65.532 -5.830 -13.160 59 HD11 LEU 6 HD11 LEU 6 65.504 -7.356 -11.392 60 HD12 LEU 6 HD12 LEU 6 63.923 -6.594 -11.234 61 HD13 LEU 6 HD13 LEU 6 65.245 -6.107 -10.174 62 HD21 LEU 6 HD21 LEU 6 64.645 -3.509 -12.975 63 HD22 LEU 6 HD22 LEU 6 64.186 -3.836 -11.304 64 HD23 LEU 6 HD23 LEU 6 63.406 -4.713 -12.620 65 H GLU 7 HN GLU 7 68.691 -3.870 -10.207 66 HA GLU 7 HA GLU 7 71.443 -4.036 -11.313 67 HB2 GLU 7 HB2 GLU 7 69.776 -1.559 -10.838 68 HB3 GLU 7 HB1 GLU 7 71.498 -1.549 -11.221 69 HG2 GLU 7 HG2 GLU 7 71.032 -2.751 -13.330 70 HG3 GLU 7 HG1 GLU 7 69.310 -2.740 -12.948 71 H LEU 8 HN LEU 8 72.959 -4.164 -9.825 72 HA LEU 8 HA LEU 8 72.432 -3.138 -7.099 73 HB2 LEU 8 HB2 LEU 8 73.297 -5.099 -6.096 74 HB3 LEU 8 HB1 LEU 8 72.186 -5.661 -7.332 75 HG LEU 8 HG LEU 8 75.205 -5.502 -7.661 76 HD11 LEU 8 HD11 LEU 8 75.249 -7.850 -7.370 77 HD12 LEU 8 HD12 LEU 8 73.495 -7.981 -7.498 78 HD13 LEU 8 HD13 LEU 8 74.223 -7.257 -6.064 79 HD21 LEU 8 HD21 LEU 8 74.379 -5.313 -9.845 80 HD22 LEU 8 HD22 LEU 8 72.926 -6.250 -9.489 81 HD23 LEU 8 HD23 LEU 8 74.482 -7.062 -9.671 82 H LEU 9 HN LEU 9 74.065 -2.016 -6.163 83 HA LEU 9 HA LEU 9 76.532 -1.598 -7.756 84 HB2 LEU 9 HB2 LEU 9 74.909 0.324 -6.979 85 HB3 LEU 9 HB1 LEU 9 75.696 0.109 -5.417 86 HG LEU 9 HG LEU 9 77.105 0.713 -8.043 87 HD11 LEU 9 HD11 LEU 9 76.349 2.386 -5.643 88 HD12 LEU 9 HD12 LEU 9 76.065 2.722 -7.351 89 HD13 LEU 9 HD13 LEU 9 77.693 2.844 -6.688 90 HD21 LEU 9 HD21 LEU 9 79.046 1.121 -6.363 91 HD22 LEU 9 HD22 LEU 9 78.647 -0.544 -6.769 92 HD23 LEU 9 HD23 LEU 9 78.093 0.147 -5.243 93 H LYS 10 HN LYS 10 78.098 -2.932 -7.058 94 HA LYS 10 HA LYS 10 78.523 -3.226 -4.136 95 HB2 LYS 10 HB2 LYS 10 79.649 -5.250 -6.042 96 HB3 LYS 10 HB1 LYS 10 79.086 -5.460 -4.388 97 HG2 LYS 10 HG2 LYS 10 77.303 -5.001 -6.795 98 HG3 LYS 10 HG1 LYS 10 77.604 -6.558 -6.047 99 HD2 LYS 10 HD2 LYS 10 76.443 -4.229 -4.507 100 HD3 LYS 10 HD1 LYS 10 75.445 -5.388 -5.353 101 HE2 LYS 10 HE2 LYS 10 76.758 -7.167 -3.999 102 HE3 LYS 10 HE1 LYS 10 77.224 -5.798 -2.985 103 HZ1 LYS 10 HZ1 LYS 10 74.450 -6.632 -3.628 104 HZ2 LYS 10 HZ2 LYS 10 74.874 -5.262 -2.717 105 HZ3 LYS 10 HZ3 LYS 10 75.229 -6.819 -2.133 106 H ASN 11 HN ASN 11 81.029 -4.220 -4.093 107 HA ASN 11 HA ASN 11 83.228 -3.550 -4.129 108 HB2 ASN 11 HB2 ASN 11 82.454 -2.649 -6.917 109 HB3 ASN 11 HB1 ASN 11 84.106 -2.715 -6.313 110 HD21 ASN 11 HD21 ASN 11 84.782 -4.984 -5.450 111 HD22 ASN 11 HD22 ASN 11 84.183 -6.327 -6.297 112 H ALA 12 HN ALA 12 83.649 -1.950 -2.724 113 HA ALA 12 HA ALA 12 83.295 0.835 -3.639 114 HB1 ALA 12 HB1 ALA 12 82.435 0.151 -0.844 115 HB2 ALA 12 HB2 ALA 12 81.315 -0.058 -2.189 116 HB3 ALA 12 HB3 ALA 12 81.989 1.534 -1.845 117 H ALA 13 HN ALA 13 84.906 2.086 -3.212 118 HA ALA 13 HA ALA 13 86.790 1.481 -1.002 119 HB1 ALA 13 HB1 ALA 13 88.002 0.896 -2.993 120 HB2 ALA 13 HB2 ALA 13 88.555 2.507 -2.540 121 HB3 ALA 13 HB3 ALA 13 87.395 2.311 -3.854 122 H VAL 14 HN VAL 14 86.993 3.206 0.349 123 HA VAL 14 HA VAL 14 86.204 5.878 -0.709 124 HB VAL 14 HB VAL 14 85.082 6.293 1.491 125 HG11 VAL 14 HG11 VAL 14 83.847 3.887 0.161 126 HG12 VAL 14 HG12 VAL 14 83.968 5.419 -0.702 127 HG13 VAL 14 HG13 VAL 14 83.060 5.327 0.800 128 HG21 VAL 14 HG21 VAL 14 84.436 4.226 2.771 129 HG22 VAL 14 HG22 VAL 14 86.147 4.628 2.868 130 HG23 VAL 14 HG23 VAL 14 85.610 3.328 1.808 131 H ARG 15 HN ARG 15 87.583 7.349 -0.488 132 HA ARG 15 HA ARG 15 89.916 7.109 1.225 133 HB2 ARG 15 HB2 ARG 15 88.972 9.282 -0.658 134 HB3 ARG 15 HB1 ARG 15 90.455 9.397 0.292 135 HG2 ARG 15 HG2 ARG 15 91.280 7.314 -0.760 136 HG3 ARG 15 HG1 ARG 15 89.810 7.231 -1.729 137 HD2 ARG 15 HD2 ARG 15 90.343 9.421 -2.730 138 HD3 ARG 15 HD1 ARG 15 91.809 9.507 -1.761 139 HE ARG 15 HE ARG 15 91.695 7.121 -3.366 140 HH11 ARG 15 HH21 ARG 15 93.892 9.342 -2.652 141 HH12 ARG 15 HH22 ARG 15 94.374 9.765 -4.261 142 HH21 ARG 15 HH11 ARG 15 91.680 8.185 -5.770 143 HH22 ARG 15 HH12 ARG 15 93.122 9.110 -6.026 144 H ALA 16 HN ALA 16 90.521 9.187 2.523 145 HA ALA 16 HA ALA 16 88.623 9.500 4.596 146 HB1 ALA 16 HB1 ALA 16 90.883 11.408 3.990 147 HB2 ALA 16 HB2 ALA 16 91.134 9.839 4.755 148 HB3 ALA 16 HB3 ALA 16 90.149 11.063 5.556 149 H GLY 17 HN GLY 17 86.988 10.927 4.884 150 HA2 GLY 17 HA2 GLY 17 85.620 12.769 4.561 151 HA3 GLY 17 HA1 GLY 17 86.874 13.465 3.537 152 H ALA 18 HN ALA 18 85.791 10.256 2.923 153 HA ALA 18 HA ALA 18 84.388 11.165 0.470 154 HB1 ALA 18 HB1 ALA 18 86.561 9.799 0.315 155 HB2 ALA 18 HB2 ALA 18 85.181 9.243 -0.629 156 HB3 ALA 18 HB3 ALA 18 85.597 8.441 0.883 157 H GLN 19 HN GLN 19 82.531 10.035 -0.195 158 HA GLN 19 HA GLN 19 80.977 8.873 2.025 159 HB2 GLN 19 HB2 GLN 19 79.965 10.782 0.919 160 HB3 GLN 19 HB1 GLN 19 80.142 10.009 -0.655 161 HG2 GLN 19 HG2 GLN 19 78.566 8.286 -0.072 162 HG3 GLN 19 HG1 GLN 19 78.535 8.806 1.608 163 HE21 GLN 19 HE21 GLN 19 76.163 8.669 -0.068 164 HE22 GLN 19 HE22 GLN 19 75.580 10.254 -0.244 165 H ALA 20 HN ALA 20 79.746 6.990 1.747 166 HA ALA 20 HA ALA 20 80.646 5.174 -0.433 167 HB1 ALA 20 HB1 ALA 20 81.279 4.748 2.139 168 HB2 ALA 20 HB2 ALA 20 80.864 3.418 1.065 169 HB3 ALA 20 HB3 ALA 20 79.657 4.063 2.176 170 H CYS 21 HN CYS 21 79.044 3.917 -1.427 171 HA CYS 21 HA CYS 21 76.272 4.263 -0.477 172 HB2 CYS 21 HB2 CYS 21 76.332 6.039 -1.997 173 HB3 CYS 21 HB1 CYS 21 77.377 5.174 -3.122 174 HG CYS 21 HG CYS 21 74.337 5.021 -3.063 175 H PHE 22 HN PHE 22 75.351 2.423 -0.373 176 HA PHE 22 HA PHE 22 75.884 0.262 -2.339 177 HB2 PHE 22 HB2 PHE 22 75.443 0.097 0.659 178 HB3 PHE 22 HB1 PHE 22 75.170 -1.280 -0.406 179 HD1 PHE 22 HD2 PHE 22 77.123 -1.895 -2.037 180 HD2 PHE 22 HD1 PHE 22 77.595 0.471 1.520 181 HE1 PHE 22 HE2 PHE 22 79.542 -2.443 -1.990 182 HE2 PHE 22 HE1 PHE 22 80.010 -0.079 1.563 183 HZ PHE 22 HZ PHE 22 80.981 -1.537 -0.188 184 H THR 23 HN THR 23 74.041 0.070 -3.551 185 HA THR 23 HA THR 23 71.447 0.133 -2.156 186 HB THR 23 HB THR 23 71.648 2.411 -2.898 187 HG1 THR 23 HG1 THR 23 69.651 1.885 -3.391 188 HG21 THR 23 HG21 THR 23 72.362 1.259 -5.609 189 HG22 THR 23 HG22 THR 23 73.494 2.040 -4.503 190 HG23 THR 23 HG23 THR 23 72.187 2.973 -5.230 191 H CYS 24 HN CYS 24 69.776 -1.011 -3.273 192 HA CYS 24 HA CYS 24 70.595 -2.406 -5.751 193 HB2 CYS 24 HB2 CYS 24 69.675 -3.701 -3.183 194 HB3 CYS 24 HB1 CYS 24 69.621 -4.520 -4.745 195 HG CYS 24 HG CYS 24 72.370 -3.508 -4.524 196 H THR 25 HN THR 25 69.143 -1.465 -7.057 197 HA THR 25 HA THR 25 66.396 -1.031 -6.344 198 HB THR 25 HB THR 25 67.596 -1.150 -9.124 199 HG1 THR 25 HG1 THR 25 68.231 0.900 -8.829 200 HG21 THR 25 HG21 THR 25 65.198 0.292 -7.960 201 HG22 THR 25 HG22 THR 25 65.151 -1.086 -9.062 202 HG23 THR 25 HG23 THR 25 65.778 0.467 -9.615 203 H LEU 26 HN LEU 26 65.053 -2.676 -5.997 204 HA LEU 26 HA LEU 26 65.331 -5.170 -7.566 205 HB2 LEU 26 HB2 LEU 26 63.765 -4.661 -5.027 206 HB3 LEU 26 HB1 LEU 26 64.020 -6.220 -5.809 207 HG LEU 26 HG LEU 26 66.203 -4.450 -4.685 208 HD11 LEU 26 HD11 LEU 26 64.826 -5.442 -2.926 209 HD12 LEU 26 HD12 LEU 26 66.387 -6.261 -2.983 210 HD13 LEU 26 HD13 LEU 26 64.963 -7.030 -3.682 211 HD21 LEU 26 HD21 LEU 26 67.291 -5.661 -6.354 212 HD22 LEU 26 HD22 LEU 26 66.187 -7.030 -6.239 213 HD23 LEU 26 HD23 LEU 26 67.427 -6.790 -5.008 214 H SER 27 HN SER 27 62.865 -6.229 -7.204 215 HA SER 27 HA SER 27 61.080 -4.438 -8.760 216 HB2 SER 27 HB2 SER 27 60.191 -6.416 -9.819 217 HB3 SER 27 HB1 SER 27 61.945 -6.449 -9.982 218 HG SER 27 HG SER 27 61.515 -7.628 -7.740 219 H GLU 28 HN GLU 28 61.582 -5.854 -5.794 220 HA GLU 28 HA GLU 28 58.721 -5.628 -5.084 221 HB2 GLU 28 HB2 GLU 28 59.219 -8.002 -5.458 222 HB3 GLU 28 HB1 GLU 28 60.560 -7.914 -4.321 223 HG2 GLU 28 HG2 GLU 28 58.666 -8.860 -3.178 224 HG3 GLU 28 HG1 GLU 28 58.901 -7.235 -2.545 225 H ALA 29 HN ALA 29 58.331 -4.777 -3.092 226 HA ALA 29 HA ALA 29 60.604 -3.551 -1.722 227 HB1 ALA 29 HB1 ALA 29 58.477 -2.307 -2.327 228 HB2 ALA 29 HB2 ALA 29 59.000 -2.160 -0.650 229 HB3 ALA 29 HB3 ALA 29 57.675 -3.246 -1.068 230 H VAL 30 HN VAL 30 61.420 -4.216 0.162 231 HA VAL 30 HA VAL 30 60.118 -6.445 1.576 232 HB VAL 30 HB VAL 30 62.934 -5.380 1.820 233 HG11 VAL 30 HG11 VAL 30 61.719 -8.027 2.660 234 HG12 VAL 30 HG12 VAL 30 62.032 -6.679 3.753 235 HG13 VAL 30 HG13 VAL 30 63.370 -7.485 2.949 236 HG21 VAL 30 HG21 VAL 30 63.570 -7.268 0.387 237 HG22 VAL 30 HG22 VAL 30 62.435 -6.226 -0.462 238 HG23 VAL 30 HG23 VAL 30 61.881 -7.746 0.237 239 HA PRO 31 HA PRO 31 59.121 -3.451 4.804 240 HB2 PRO 31 HB2 PRO 31 59.052 -5.462 6.901 241 HB3 PRO 31 HB1 PRO 31 57.688 -4.656 6.118 242 HG2 PRO 31 HG2 PRO 31 58.559 -7.353 5.792 243 HG3 PRO 31 HG1 PRO 31 57.219 -6.538 4.978 244 HD2 PRO 31 HD2 PRO 31 59.779 -7.314 3.860 245 HD3 PRO 31 HD1 PRO 31 58.401 -6.557 3.034 246 H VAL 32 HN VAL 32 60.028 -4.134 7.584 247 HA VAL 32 HA VAL 32 62.957 -3.756 7.233 248 HB VAL 32 HB VAL 32 62.712 -2.486 9.490 249 HG11 VAL 32 HG11 VAL 32 61.583 -1.294 6.941 250 HG12 VAL 32 HG12 VAL 32 63.296 -1.403 7.356 251 HG13 VAL 32 HG13 VAL 32 62.220 -0.384 8.311 252 HG21 VAL 32 HG21 VAL 32 60.536 -1.418 9.842 253 HG22 VAL 32 HG22 VAL 32 60.333 -3.167 9.862 254 HG23 VAL 32 HG23 VAL 32 59.873 -2.245 8.433 255 H GLY 33 HN GLY 33 63.870 -5.600 7.791 256 HA2 GLY 33 HA2 GLY 33 64.450 -6.708 10.066 257 HA3 GLY 33 HA1 GLY 33 62.763 -7.213 10.000 258 H GLU 34 HN GLU 34 62.540 -7.728 7.230 259 HA GLU 34 HA GLU 34 63.621 -10.364 7.100 260 HB2 GLU 34 HB2 GLU 34 62.345 -8.607 4.998 261 HB3 GLU 34 HB1 GLU 34 62.757 -10.302 4.743 262 HG2 GLU 34 HG2 GLU 34 61.270 -10.968 6.564 263 HG3 GLU 34 HG1 GLU 34 60.915 -9.279 6.925 264 H ALA 35 HN ALA 35 64.463 -7.297 5.524 265 HA ALA 35 HA ALA 35 66.695 -8.430 4.073 266 HB1 ALA 35 HB1 ALA 35 67.176 -6.010 3.553 267 HB2 ALA 35 HB2 ALA 35 65.786 -5.581 4.551 268 HB3 ALA 35 HB3 ALA 35 65.557 -6.538 3.090 269 H SER 36 HN SER 36 68.942 -8.022 4.511 270 HA SER 36 HA SER 36 69.517 -7.118 7.284 271 HB2 SER 36 HB2 SER 36 69.726 -9.528 7.201 272 HB3 SER 36 HB1 SER 36 70.701 -9.437 5.737 273 HG SER 36 HG SER 36 72.260 -9.442 7.178 274 H TRP 37 HN TRP 37 70.902 -5.513 7.398 275 HA TRP 37 HA TRP 37 72.923 -5.149 5.260 276 HB2 TRP 37 HB2 TRP 37 71.189 -3.013 6.531 277 HB3 TRP 37 HB1 TRP 37 72.591 -2.687 5.512 278 HD1 TRP 37 HD1 TRP 37 68.993 -3.857 5.387 279 HE1 TRP 37 HE1 TRP 37 68.235 -4.007 2.927 280 HE3 TRP 37 HE3 TRP 37 73.466 -3.138 3.038 281 HZ2 TRP 37 HZ2 TRP 37 69.371 -3.836 0.312 282 HZ3 TRP 37 HZ3 TRP 37 73.601 -3.134 0.564 283 HH2 TRP 37 HH2 TRP 37 71.559 -3.478 -0.803 284 H TYR 38 HN TYR 38 74.805 -5.494 6.230 285 HA TYR 38 HA TYR 38 75.508 -3.953 8.593 286 HB2 TYR 38 HB2 TYR 38 75.637 -6.972 8.705 287 HB3 TYR 38 HB1 TYR 38 76.268 -5.857 9.923 288 HD1 TYR 38 HD2 TYR 38 74.732 -4.486 11.281 289 HD2 TYR 38 HD1 TYR 38 73.260 -7.407 8.505 290 HE1 TYR 38 HE2 TYR 38 72.508 -4.388 12.365 291 HE2 TYR 38 HE1 TYR 38 71.030 -7.316 9.591 292 HH TYR 38 HH TYR 38 69.737 -6.134 11.033 293 H ILE 39 HN ILE 39 77.683 -3.895 9.041 294 HA ILE 39 HA ILE 39 79.480 -4.942 6.933 295 HB ILE 39 HB ILE 39 79.806 -2.384 8.534 296 HG12 ILE 39 HG12 ILE 39 79.402 -1.503 5.985 297 HG13 ILE 39 HG11 ILE 39 78.377 -2.937 5.950 298 HG21 ILE 39 HG21 ILE 39 81.847 -3.598 7.591 299 HG22 ILE 39 HG22 ILE 39 81.645 -1.920 7.093 300 HG23 ILE 39 HG23 ILE 39 81.209 -3.223 5.993 301 HD11 ILE 39 HD11 ILE 39 78.216 -0.744 8.046 302 HD12 ILE 39 HD12 ILE 39 77.140 -2.135 7.908 303 HD13 ILE 39 HD13 ILE 39 77.139 -0.893 6.659 304 H ASN 40 HN ASN 40 80.955 -6.476 7.872 305 HA ASN 40 HA ASN 40 80.954 -6.935 10.618 306 HB2 ASN 40 HB2 ASN 40 81.718 -8.553 8.880 307 HB3 ASN 40 HB1 ASN 40 83.146 -7.552 8.619 308 HD21 ASN 40 HD21 ASN 40 83.947 -9.947 9.389 309 HD22 ASN 40 HD22 ASN 40 84.290 -10.044 11.048 310 H GLY 41 HN GLY 41 81.860 -5.879 12.215 311 HA2 GLY 41 HA2 GLY 41 83.819 -4.860 13.225 312 HA3 GLY 41 HA1 GLY 41 84.148 -4.069 11.684 313 H ALA 42 HN ALA 42 80.878 -3.952 11.916 314 HA ALA 42 HA ALA 42 80.525 -1.891 13.869 315 HB1 ALA 42 HB1 ALA 42 80.402 -0.919 11.019 316 HB2 ALA 42 HB2 ALA 42 81.850 -0.741 12.011 317 HB3 ALA 42 HB3 ALA 42 80.342 0.029 12.506 318 H ALA 43 HN ALA 43 78.685 -2.968 14.476 319 HA ALA 43 HA ALA 43 76.680 -3.849 12.643 320 HB1 ALA 43 HB1 ALA 43 76.524 -3.292 15.618 321 HB2 ALA 43 HB2 ALA 43 76.889 -4.847 14.870 322 HB3 ALA 43 HB3 ALA 43 75.290 -4.129 14.676 323 H VAL 44 HN VAL 44 74.844 -2.841 11.943 324 HA VAL 44 HA VAL 44 74.750 0.057 12.223 325 HB VAL 44 HB VAL 44 72.888 -1.739 10.655 326 HG11 VAL 44 HG11 VAL 44 72.086 0.554 11.030 327 HG12 VAL 44 HG12 VAL 44 72.549 0.339 9.343 328 HG13 VAL 44 HG13 VAL 44 73.621 1.201 10.448 329 HG21 VAL 44 HG21 VAL 44 75.389 -0.318 9.684 330 HG22 VAL 44 HG22 VAL 44 74.333 -1.367 8.741 331 HG23 VAL 44 HG23 VAL 44 75.317 -2.045 10.038 332 H GLN 45 HN GLN 45 73.934 0.679 14.135 333 HA GLN 45 HA GLN 45 71.616 -0.668 15.293 334 HB2 GLN 45 HB2 GLN 45 73.548 1.452 16.213 335 HB3 GLN 45 HB1 GLN 45 72.051 1.176 17.097 336 HG2 GLN 45 HG2 GLN 45 73.906 -1.104 16.404 337 HG3 GLN 45 HG1 GLN 45 74.152 -0.136 17.852 338 HE21 GLN 45 HE21 GLN 45 72.991 -0.776 19.676 339 HE22 GLN 45 HE22 GLN 45 71.652 -1.816 19.654 340 HA PRO 46 HA PRO 46 68.486 2.050 13.792 341 HB2 PRO 46 HB2 PRO 46 67.345 2.770 16.356 342 HB3 PRO 46 HB1 PRO 46 66.742 1.585 15.191 343 HG2 PRO 46 HG2 PRO 46 68.207 1.144 17.679 344 HG3 PRO 46 HG1 PRO 46 67.301 -0.013 16.693 345 HD2 PRO 46 HD2 PRO 46 70.072 0.041 16.910 346 HD3 PRO 46 HD1 PRO 46 69.184 -0.714 15.576 347 H ASP 47 HN ASP 47 70.508 3.106 16.464 348 HA ASP 47 HA ASP 47 70.024 5.946 15.856 349 HB2 ASP 47 HB2 ASP 47 71.414 6.339 17.884 350 HB3 ASP 47 HB1 ASP 47 69.980 5.368 18.208 351 H ASP 48 HN ASP 48 71.722 3.783 14.345 352 HA ASP 48 HA ASP 48 74.413 4.281 14.432 353 HB2 ASP 48 HB2 ASP 48 74.358 3.860 11.916 354 HB3 ASP 48 HB1 ASP 48 73.648 2.618 12.944 355 H SER 49 HN SER 49 75.656 5.993 14.207 356 HA SER 49 HA SER 49 74.545 8.519 13.277 357 HB2 SER 49 HB2 SER 49 75.924 8.323 15.354 358 HB3 SER 49 HB1 SER 49 77.312 7.948 14.338 359 HG SER 49 HG SER 49 76.492 10.011 13.209 360 H ASP 50 HN ASP 50 77.274 6.371 12.331 361 HA ASP 50 HA ASP 50 77.867 8.110 10.056 362 HB2 ASP 50 HB2 ASP 50 79.190 5.544 10.954 363 HB3 ASP 50 HB1 ASP 50 79.792 6.655 9.725 364 H TRP 51 HN TRP 51 76.261 5.073 10.692 365 HA TRP 51 HA TRP 51 76.029 4.564 7.772 366 HB2 TRP 51 HB2 TRP 51 75.930 2.758 10.190 367 HB3 TRP 51 HB1 TRP 51 75.215 2.257 8.660 368 HD1 TRP 51 HD1 TRP 51 76.908 2.212 6.509 369 HE1 TRP 51 HE1 TRP 51 79.405 1.597 6.415 370 HE3 TRP 51 HE3 TRP 51 78.144 2.794 11.431 371 HZ2 TRP 51 HZ2 TRP 51 81.635 1.379 8.188 372 HZ3 TRP 51 HZ3 TRP 51 80.464 2.376 12.199 373 HH2 TRP 51 HH2 TRP 51 82.209 1.669 10.588 374 H THR 52 HN THR 52 74.031 4.449 6.831 375 HA THR 52 HA THR 52 71.637 4.628 8.562 376 HB THR 52 HB THR 52 70.710 6.429 7.301 377 HG1 THR 52 HG1 THR 52 71.275 6.148 5.268 378 HG21 THR 52 HG21 THR 52 72.324 8.224 7.688 379 HG22 THR 52 HG22 THR 52 73.639 7.051 7.769 380 HG23 THR 52 HG23 THR 52 72.391 7.067 9.016 381 H VAL 53 HN VAL 53 69.705 3.834 7.550 382 HA VAL 53 HA VAL 53 70.043 2.532 4.934 383 HB VAL 53 HB VAL 53 70.602 0.760 6.494 384 HG11 VAL 53 HG11 VAL 53 69.038 0.087 8.277 385 HG12 VAL 53 HG12 VAL 53 67.981 1.437 7.865 386 HG13 VAL 53 HG13 VAL 53 69.591 1.744 8.517 387 HG21 VAL 53 HG21 VAL 53 69.001 -0.859 5.806 388 HG22 VAL 53 HG22 VAL 53 68.979 0.367 4.536 389 HG23 VAL 53 HG23 VAL 53 67.701 0.333 5.751 390 H THR 54 HN THR 54 68.230 2.589 3.733 391 HA THR 54 HA THR 54 65.658 3.238 5.012 392 HB THR 54 HB THR 54 65.246 5.080 3.546 393 HG1 THR 54 HG1 THR 54 66.840 3.918 1.952 394 HG21 THR 54 HG21 THR 54 68.087 5.466 4.488 395 HG22 THR 54 HG22 THR 54 66.723 5.414 5.608 396 HG23 THR 54 HG23 THR 54 66.809 6.676 4.379 397 H ALA 55 HN ALA 55 63.836 2.718 3.716 398 HA ALA 55 HA ALA 55 64.403 1.143 1.268 399 HB1 ALA 55 HB1 ALA 55 62.826 0.310 3.701 400 HB2 ALA 55 HB2 ALA 55 64.132 -0.556 2.893 401 HB3 ALA 55 HB3 ALA 55 62.552 -0.426 2.121 402 H ASP 56 HN ASP 56 63.532 2.481 -0.195 403 HA ASP 56 HA ASP 56 60.759 3.447 0.220 404 HB2 ASP 56 HB2 ASP 56 62.608 5.135 -0.209 405 HB3 ASP 56 HB1 ASP 56 62.751 4.440 -1.823 406 H GLY 57 HN GLY 57 59.398 1.981 -0.643 407 HA2 GLY 57 HA2 GLY 57 58.364 0.662 -2.219 408 HA3 GLY 57 HA1 GLY 57 59.271 1.565 -3.427 409 H SER 58 HN SER 58 60.182 0.107 -4.743 410 HA SER 58 HA SER 58 61.329 -2.374 -3.648 411 HB2 SER 58 HB2 SER 58 61.334 -3.176 -5.903 412 HB3 SER 58 HB1 SER 58 59.777 -2.402 -5.634 413 HG SER 58 HG SER 58 60.599 -0.550 -6.660 414 H HIS 59 HN HIS 59 62.801 -0.173 -2.905 415 HA HIS 59 HA HIS 59 65.327 -0.700 -4.274 416 HB2 HIS 59 HB2 HIS 59 64.313 1.176 -5.540 417 HB3 HIS 59 HB1 HIS 59 64.205 2.102 -4.045 418 HD1 HIS 59 HD1 HIS 59 66.711 0.723 -6.497 419 HD2 HIS 59 HD2 HIS 59 66.642 3.193 -3.139 420 HE1 HIS 59 HE1 HIS 59 68.990 1.814 -6.364 421 H HIS 60 HN HIS 60 67.046 -0.583 -2.898 422 HA HIS 60 HA HIS 60 66.535 0.489 -0.165 423 HB2 HIS 60 HB2 HIS 60 68.291 -1.811 -1.064 424 HB3 HIS 60 HB1 HIS 60 68.229 -1.175 0.581 425 HD1 HIS 60 HD1 HIS 60 66.080 -2.941 -1.983 426 HD2 HIS 60 HD2 HIS 60 65.988 -1.992 2.075 427 HE1 HIS 60 HE1 HIS 60 64.103 -4.183 -0.999 428 H ALA 61 HN ALA 61 67.964 1.991 0.625 429 HA ALA 61 HA ALA 61 70.499 2.408 -0.844 430 HB1 ALA 61 HB1 ALA 61 70.161 4.755 -0.981 431 HB2 ALA 61 HB2 ALA 61 68.751 4.691 0.076 432 HB3 ALA 61 HB3 ALA 61 68.659 4.030 -1.557 433 H LEU 62 HN LEU 62 72.164 2.496 0.453 434 HA LEU 62 HA LEU 62 71.873 3.399 3.260 435 HB2 LEU 62 HB2 LEU 62 71.972 1.040 3.457 436 HB3 LEU 62 HB1 LEU 62 73.204 0.899 2.208 437 HG LEU 62 HG LEU 62 73.984 2.592 4.543 438 HD11 LEU 62 HD11 LEU 62 74.567 0.521 5.883 439 HD12 LEU 62 HD12 LEU 62 73.484 -0.379 4.819 440 HD13 LEU 62 HD13 LEU 62 72.851 0.919 5.829 441 HD21 LEU 62 HD21 LEU 62 75.428 1.796 2.552 442 HD22 LEU 62 HD22 LEU 62 75.440 0.227 3.354 443 HD23 LEU 62 HD23 LEU 62 76.119 1.638 4.166 444 H LEU 63 HN LEU 63 73.442 4.866 3.882 445 HA LEU 63 HA LEU 63 75.726 5.245 2.004 446 HB2 LEU 63 HB2 LEU 63 75.672 7.691 2.848 447 HB3 LEU 63 HB1 LEU 63 74.450 7.177 1.685 448 HG LEU 63 HG LEU 63 72.915 6.722 3.659 449 HD11 LEU 63 HD11 LEU 63 74.389 6.611 5.524 450 HD12 LEU 63 HD12 LEU 63 73.583 8.169 5.701 451 HD13 LEU 63 HD13 LEU 63 75.222 8.093 5.059 452 HD21 LEU 63 HD21 LEU 63 72.347 9.116 3.893 453 HD22 LEU 63 HD22 LEU 63 72.734 8.709 2.220 454 HD23 LEU 63 HD23 LEU 63 73.921 9.547 3.221 455 H LEU 64 HN LEU 64 77.244 6.883 3.146 456 HA LEU 64 HA LEU 64 77.925 6.179 5.886 457 HB2 LEU 64 HB2 LEU 64 79.154 4.512 4.425 458 HB3 LEU 64 HB1 LEU 64 79.927 5.885 3.634 459 HG LEU 64 HG LEU 64 80.834 6.615 5.831 460 HD11 LEU 64 HD11 LEU 64 79.495 5.767 7.531 461 HD12 LEU 64 HD12 LEU 64 80.812 4.599 7.568 462 HD13 LEU 64 HD13 LEU 64 79.302 4.197 6.749 463 HD21 LEU 64 HD21 LEU 64 81.500 3.761 5.033 464 HD22 LEU 64 HD22 LEU 64 82.541 4.829 5.977 465 HD23 LEU 64 HD23 LEU 64 82.174 5.216 4.297 466 H ARG 65 HN ARG 65 78.343 8.153 6.798 467 HA ARG 65 HA ARG 65 78.468 10.447 5.169 468 HB2 ARG 65 HB2 ARG 65 79.202 10.035 8.085 469 HB3 ARG 65 HB1 ARG 65 79.135 11.617 7.302 470 HG2 ARG 65 HG2 ARG 65 76.789 11.251 6.701 471 HG3 ARG 65 HG1 ARG 65 76.839 9.647 7.434 472 HD2 ARG 65 HD2 ARG 65 77.360 10.669 9.621 473 HD3 ARG 65 HD1 ARG 65 77.292 12.268 8.885 474 HE ARG 65 HE ARG 65 75.042 10.635 9.647 475 HH11 ARG 65 HH11 ARG 65 75.403 13.740 9.461 476 HH12 ARG 65 HH12 ARG 65 74.195 14.116 8.279 477 HH21 ARG 65 HH21 ARG 65 73.803 10.832 7.242 478 HH22 ARG 65 HH22 ARG 65 73.290 12.472 7.025 479 H SER 66 HN SER 66 80.880 11.304 7.113 480 HA SER 66 HA SER 66 82.859 11.106 5.032 481 HB2 SER 66 HB2 SER 66 83.068 12.199 7.847 482 HB3 SER 66 HB1 SER 66 84.294 12.370 6.594 483 HG SER 66 HG SER 66 81.959 13.728 6.970 484 H ALA 67 HN ALA 67 83.820 9.215 4.698 485 HA ALA 67 HA ALA 67 84.209 7.206 6.677 486 HB1 ALA 67 HB1 ALA 67 84.041 6.781 4.221 487 HB2 ALA 67 HB2 ALA 67 85.469 6.049 4.956 488 HB3 ALA 67 HB3 ALA 67 85.623 7.539 4.022 489 H GLN 68 HN GLN 68 85.905 6.807 8.010 490 HA GLN 68 HA GLN 68 88.396 8.358 7.643 491 HB2 GLN 68 HB2 GLN 68 86.858 7.968 10.225 492 HB3 GLN 68 HB1 GLN 68 88.511 8.582 10.142 493 HG2 GLN 68 HG2 GLN 68 87.816 10.503 8.868 494 HG3 GLN 68 HG1 GLN 68 86.196 9.840 8.648 495 HE21 GLN 68 HE21 GLN 68 85.171 11.663 9.751 496 HE22 GLN 68 HE22 GLN 68 85.316 11.869 11.430 497 HA PRO 69 HA PRO 69 90.351 4.398 7.890 498 HB2 PRO 69 HB2 PRO 69 92.499 5.194 9.666 499 HB3 PRO 69 HB1 PRO 69 92.556 4.982 7.911 500 HG2 PRO 69 HG2 PRO 69 92.412 7.445 9.463 501 HG3 PRO 69 HG1 PRO 69 92.811 7.220 7.755 502 HD2 PRO 69 HD2 PRO 69 90.445 8.351 8.708 503 HD3 PRO 69 HD1 PRO 69 90.659 7.673 7.081 504 H HIS 70 HN HIS 70 88.557 3.551 9.120 505 HA HIS 70 HA HIS 70 89.228 2.249 11.501 506 HB2 HIS 70 HB2 HIS 70 89.142 4.385 12.653 507 HB3 HIS 70 HB1 HIS 70 87.582 4.761 11.925 508 HD1 HIS 70 HD1 HIS 70 89.155 2.212 14.268 509 HD2 HIS 70 HD2 HIS 70 85.409 3.810 13.378 510 HE1 HIS 70 HE1 HIS 70 87.550 1.253 15.970 511 H HIS 71 HN HIS 71 86.819 3.558 9.367 512 HA HIS 71 HA HIS 71 84.685 1.825 10.255 513 HB2 HIS 71 HB2 HIS 71 84.889 3.543 7.775 514 HB3 HIS 71 HB1 HIS 71 83.418 2.846 8.449 515 HD1 HIS 71 HD1 HIS 71 84.937 5.981 8.331 516 HD2 HIS 71 HD2 HIS 71 83.469 3.715 11.510 517 HE1 HIS 71 HE1 HIS 71 84.526 7.597 10.236 518 H ALA 72 HN ALA 72 87.395 1.381 8.303 519 HA ALA 72 HA ALA 72 86.570 -0.110 6.133 520 HB1 ALA 72 HB1 ALA 72 88.940 -0.661 7.938 521 HB2 ALA 72 HB2 ALA 72 88.923 0.425 6.547 522 HB3 ALA 72 HB3 ALA 72 88.724 -1.311 6.312 523 H GLY 73 HN GLY 73 86.144 -2.310 5.755 524 HA2 GLY 73 HA2 GLY 73 86.205 -4.431 7.514 525 HA3 GLY 73 HA1 GLY 73 84.664 -3.637 7.820 526 H GLU 74 HN GLU 74 83.998 -5.908 7.047 527 HA GLU 74 HA GLU 74 83.972 -6.154 4.100 528 HB2 GLU 74 HB2 GLU 74 84.590 -8.138 5.481 529 HB3 GLU 74 HB1 GLU 74 82.989 -8.086 6.221 530 HG2 GLU 74 HG2 GLU 74 81.952 -8.387 3.998 531 HG3 GLU 74 HG1 GLU 74 83.555 -8.444 3.263 532 H VAL 75 HN VAL 75 81.944 -6.379 2.955 533 HA VAL 75 HA VAL 75 79.599 -5.288 4.444 534 HB VAL 75 HB VAL 75 80.431 -4.860 1.563 535 HG11 VAL 75 HG11 VAL 75 77.957 -3.948 3.065 536 HG12 VAL 75 HG12 VAL 75 77.996 -5.033 1.676 537 HG13 VAL 75 HG13 VAL 75 78.444 -3.342 1.483 538 HG21 VAL 75 HG21 VAL 75 81.687 -3.500 3.172 539 HG22 VAL 75 HG22 VAL 75 80.179 -2.970 3.917 540 HG23 VAL 75 HG23 VAL 75 80.559 -2.489 2.267 541 H THR 76 HN THR 76 78.044 -6.773 4.681 542 HA THR 76 HA THR 76 77.534 -8.676 2.457 543 HB THR 76 HB THR 76 77.324 -9.264 5.421 544 HG1 THR 76 HG1 THR 76 79.458 -9.094 4.140 545 HG21 THR 76 HG21 THR 76 76.989 -11.596 4.595 546 HG22 THR 76 HG22 THR 76 76.939 -10.973 2.946 547 HG23 THR 76 HG23 THR 76 75.690 -10.510 4.102 548 H PHE 77 HN PHE 77 75.527 -8.702 1.718 549 HA PHE 77 HA PHE 77 73.282 -7.858 3.426 550 HB2 PHE 77 HB2 PHE 77 73.357 -5.830 2.367 551 HB3 PHE 77 HB1 PHE 77 74.310 -6.452 1.025 552 HD1 PHE 77 HD2 PHE 77 70.845 -6.723 2.467 553 HD2 PHE 77 HD1 PHE 77 73.277 -6.605 -1.069 554 HE1 PHE 77 HE2 PHE 77 68.807 -6.753 1.064 555 HE2 PHE 77 HE1 PHE 77 71.236 -6.639 -2.474 556 HZ PHE 77 HZ PHE 77 68.999 -6.718 -1.407 557 H ALA 78 HN ALA 78 71.437 -8.968 3.066 558 HA ALA 78 HA ALA 78 71.110 -10.606 0.674 559 HB1 ALA 78 HB1 ALA 78 71.129 -11.974 3.368 560 HB2 ALA 78 HB2 ALA 78 72.533 -11.951 2.300 561 HB3 ALA 78 HB3 ALA 78 71.036 -12.719 1.773 562 H CYS 79 HN CYS 79 68.957 -11.434 0.449 563 HA CYS 79 HA CYS 79 67.001 -10.812 2.502 564 HB2 CYS 79 HB2 CYS 79 67.490 -8.668 1.148 565 HB3 CYS 79 HB1 CYS 79 66.614 -9.462 -0.161 566 HG CYS 79 HG CYS 79 64.692 -9.773 1.869 567 H ARG 80 HN ARG 80 65.009 -10.572 0.201 568 HA ARG 80 HA ARG 80 64.072 -13.197 0.196 569 HB2 ARG 80 HB2 ARG 80 63.601 -11.012 -1.849 570 HB3 ARG 80 HB1 ARG 80 62.638 -12.480 -1.688 571 HG2 ARG 80 HG2 ARG 80 62.009 -11.849 0.599 572 HG3 ARG 80 HG1 ARG 80 63.017 -10.404 0.493 573 HD2 ARG 80 HD2 ARG 80 60.718 -9.771 0.052 574 HD3 ARG 80 HD1 ARG 80 61.637 -9.638 -1.443 575 HE ARG 80 HE ARG 80 60.452 -11.477 -2.305 576 HH11 ARG 80 HH11 ARG 80 60.194 -11.623 1.097 577 HH12 ARG 80 HH12 ARG 80 58.622 -12.351 1.107 578 HH21 ARG 80 HH21 ARG 80 58.190 -12.101 -2.326 579 HH22 ARG 80 HH22 ARG 80 57.488 -12.621 -0.831 580 H ASP 81 HN ASP 81 65.858 -14.548 -0.251 581 HA ASP 81 HA ASP 81 67.279 -15.787 -1.560 582 HB2 ASP 81 HB2 ASP 81 65.008 -16.275 -2.570 583 HB3 ASP 81 HB1 ASP 81 65.386 -15.072 -3.803 584 H ALA 82 HN ALA 82 67.255 -12.625 -1.673 585 HA ALA 82 HA ALA 82 68.837 -12.226 -4.113 586 HB1 ALA 82 HB1 ALA 82 67.097 -10.562 -3.439 587 HB2 ALA 82 HB2 ALA 82 68.713 -9.863 -3.570 588 HB3 ALA 82 HB3 ALA 82 68.035 -10.225 -1.985 589 H VAL 83 HN VAL 83 70.692 -13.456 -3.544 590 HA VAL 83 HA VAL 83 72.228 -12.678 -1.176 591 HB VAL 83 HB VAL 83 72.005 -15.067 -1.893 592 HG11 VAL 83 HG11 VAL 83 73.946 -14.391 -4.107 593 HG12 VAL 83 HG12 VAL 83 72.205 -14.381 -4.389 594 HG13 VAL 83 HG13 VAL 83 73.005 -15.866 -3.877 595 HG21 VAL 83 HG21 VAL 83 74.829 -13.966 -1.973 596 HG22 VAL 83 HG22 VAL 83 74.358 -15.607 -1.528 597 HG23 VAL 83 HG23 VAL 83 73.900 -14.250 -0.502 598 H ALA 84 HN ALA 84 73.784 -11.165 -1.214 599 HA ALA 84 HA ALA 84 75.380 -10.714 -3.612 600 HB1 ALA 84 HB1 ALA 84 73.824 -8.411 -2.436 601 HB2 ALA 84 HB2 ALA 84 73.249 -9.329 -3.829 602 HB3 ALA 84 HB3 ALA 84 74.766 -8.431 -3.927 603 H SER 85 HN SER 85 77.426 -10.469 -2.930 604 HA SER 85 HA SER 85 77.949 -9.622 -0.163 605 HB2 SER 85 HB2 SER 85 79.829 -10.746 -2.250 606 HB3 SER 85 HB1 SER 85 80.210 -10.459 -0.554 607 HG SER 85 HG SER 85 78.065 -11.845 -0.438 608 H ALA 86 HN ALA 86 80.347 -8.544 -0.212 609 HA ALA 86 HA ALA 86 81.085 -6.696 -2.129 610 HB1 ALA 86 HB1 ALA 86 80.181 -4.570 -0.736 611 HB2 ALA 86 HB2 ALA 86 78.863 -5.688 -0.400 612 HB3 ALA 86 HB3 ALA 86 79.265 -5.272 -2.064 613 H ARG 87 HN ARG 87 82.448 -4.815 -1.074 614 HA ARG 87 HA ARG 87 83.465 -5.510 1.577 615 HB2 ARG 87 HB2 ARG 87 85.199 -5.639 -0.905 616 HB3 ARG 87 HB1 ARG 87 85.831 -5.573 0.738 617 HG2 ARG 87 HG2 ARG 87 84.628 -7.657 1.293 618 HG3 ARG 87 HG1 ARG 87 83.989 -7.725 -0.349 619 HD2 ARG 87 HD2 ARG 87 85.916 -9.184 -0.219 620 HD3 ARG 87 HD1 ARG 87 86.320 -7.793 -1.219 621 HE ARG 87 HE ARG 87 87.809 -7.072 0.438 622 HH11 ARG 87 HH11 ARG 87 87.377 -10.289 0.857 623 HH12 ARG 87 HH12 ARG 87 87.653 -10.338 2.566 624 HH21 ARG 87 HH21 ARG 87 87.519 -6.896 2.957 625 HH22 ARG 87 HH22 ARG 87 87.732 -8.419 3.753 626 H LEU 88 HN LEU 88 84.191 -3.769 2.650 627 HA LEU 88 HA LEU 88 84.385 -1.193 1.185 628 HB2 LEU 88 HB2 LEU 88 82.515 -1.312 2.802 629 HB3 LEU 88 HB1 LEU 88 83.646 -1.736 4.079 630 HG LEU 88 HG LEU 88 84.831 0.460 3.662 631 HD11 LEU 88 HD11 LEU 88 82.519 0.756 1.742 632 HD12 LEU 88 HD12 LEU 88 84.226 1.098 1.472 633 HD13 LEU 88 HD13 LEU 88 83.264 2.173 2.481 634 HD21 LEU 88 HD21 LEU 88 81.896 0.536 4.421 635 HD22 LEU 88 HD22 LEU 88 83.051 1.824 4.761 636 HD23 LEU 88 HD23 LEU 88 83.253 0.240 5.508 637 H THR 89 HN THR 89 86.311 -0.136 1.253 638 HA THR 89 HA THR 89 88.246 -0.822 3.373 639 HB THR 89 HB THR 89 88.943 -2.230 1.568 640 HG1 THR 89 HG1 THR 89 90.790 -1.451 2.230 641 HG21 THR 89 HG21 THR 89 87.637 -1.012 -0.195 642 HG22 THR 89 HG22 THR 89 89.279 -1.408 -0.694 643 HG23 THR 89 HG23 THR 89 88.883 0.235 -0.196 644 H VAL 90 HN VAL 90 89.282 0.863 4.214 645 HA VAL 90 HA VAL 90 88.920 3.495 2.908 646 HB VAL 90 HB VAL 90 89.684 2.846 5.759 647 HG11 VAL 90 HG11 VAL 90 90.540 4.994 5.206 648 HG12 VAL 90 HG12 VAL 90 89.015 5.305 6.031 649 HG13 VAL 90 HG13 VAL 90 89.103 5.411 4.273 650 HG21 VAL 90 HG21 VAL 90 87.452 3.189 6.391 651 HG22 VAL 90 HG22 VAL 90 87.277 2.275 4.895 652 HG23 VAL 90 HG23 VAL 90 87.050 4.023 4.893 653 H LEU 91 HN LEU 91 90.629 4.409 1.968 654 HA LEU 91 HA LEU 91 93.331 3.836 3.014 655 HB2 LEU 91 HB2 LEU 91 92.985 2.373 1.063 656 HB3 LEU 91 HB1 LEU 91 92.538 3.770 0.086 657 HG LEU 91 HG LEU 91 94.776 4.732 0.394 658 HD11 LEU 91 HD11 LEU 91 95.078 2.392 2.266 659 HD12 LEU 91 HD12 LEU 91 95.583 4.069 2.486 660 HD13 LEU 91 HD13 LEU 91 96.502 3.006 1.424 661 HD21 LEU 91 HD21 LEU 91 94.372 3.160 -1.477 662 HD22 LEU 91 HD22 LEU 91 94.873 1.817 -0.450 663 HD23 LEU 91 HD23 LEU 91 96.037 3.061 -0.903 664 H GLY 92 HN GLY 92 94.172 5.745 3.610 665 HA2 GLY 92 HA2 GLY 92 94.544 7.903 1.857 666 HA3 GLY 92 HA1 GLY 92 93.113 8.244 2.823 667 H LEU 93 HN LEU 93 94.489 10.078 3.502 668 HA LEU 93 HA LEU 93 96.579 9.468 5.450 669 HB2 LEU 93 HB2 LEU 93 95.627 11.955 4.014 670 HB3 LEU 93 HB1 LEU 93 96.675 12.088 5.409 671 HG LEU 93 HG LEU 93 97.817 12.085 3.120 672 HD11 LEU 93 HD11 LEU 93 99.725 10.942 3.911 673 HD12 LEU 93 HD12 LEU 93 98.772 9.805 4.858 674 HD13 LEU 93 HD13 LEU 93 98.908 11.486 5.373 675 HD21 LEU 93 HD21 LEU 93 98.060 10.004 1.951 676 HD22 LEU 93 HD22 LEU 93 96.336 10.221 2.245 677 HD23 LEU 93 HD23 LEU 93 97.267 9.109 3.246 678 HA PRO 94 HA PRO 94 94.052 10.010 9.032 679 HB2 PRO 94 HB2 PRO 94 95.397 12.344 10.089 680 HB3 PRO 94 HB1 PRO 94 95.555 10.663 10.611 681 HG2 PRO 94 HG2 PRO 94 97.318 12.254 8.880 682 HG3 PRO 94 HG1 PRO 94 97.671 10.776 9.792 683 HD2 PRO 94 HD2 PRO 94 97.460 10.816 7.078 684 HD3 PRO 94 HD1 PRO 94 97.046 9.390 8.042 685 H ASP 95 HN ASP 95 92.981 12.088 10.332 686 HA ASP 95 HA ASP 95 91.132 13.206 8.528 687 HB2 ASP 95 HB2 ASP 95 90.766 12.917 10.982 688 HB3 ASP 95 HB1 ASP 95 91.878 14.254 11.268 689 H GLY 96 HN GLY 96 94.048 14.536 10.041 690 HA2 GLY 96 HA2 GLY 96 95.082 16.046 8.083 691 HA3 GLY 96 HA1 GLY 96 93.770 17.078 8.649 692 H LEU 97 HN LEU 97 94.121 18.345 10.385 693 HA LEU 97 HA LEU 97 96.747 18.379 11.580 694 HB2 LEU 97 HB2 LEU 97 94.252 19.980 12.198 695 HB3 LEU 97 HB1 LEU 97 95.851 20.301 12.869 696 HG LEU 97 HG LEU 97 95.198 20.295 9.904 697 HD11 LEU 97 HD11 LEU 97 95.663 22.634 11.780 698 HD12 LEU 97 HD12 LEU 97 94.090 22.139 11.153 699 HD13 LEU 97 HD13 LEU 97 95.333 22.731 10.051 700 HD21 LEU 97 HD21 LEU 97 97.502 19.889 10.007 701 HD22 LEU 97 HD22 LEU 97 97.700 20.772 11.520 702 HD23 LEU 97 HD23 LEU 97 97.478 21.649 10.007 703 H GLU 98 HN GLU 98 97.355 17.610 13.528 704 HA GLU 98 HA GLU 98 95.482 15.880 14.943 705 HB2 GLU 98 HB2 GLU 98 98.436 16.424 15.300 706 HB3 GLU 98 HB1 GLU 98 97.511 15.320 16.316 707 HG2 GLU 98 HG2 GLU 98 96.886 14.004 14.328 708 HG3 GLU 98 HG1 GLU 98 97.794 15.113 13.304 709 H HIS 99 HN HIS 99 94.309 16.537 16.602 710 HA HIS 99 HA HIS 99 94.738 19.124 17.810 711 HB2 HIS 99 HB2 HIS 99 92.754 18.372 19.238 712 HB3 HIS 99 HB1 HIS 99 92.466 18.515 17.503 713 HD1 HIS 99 HD1 HIS 99 92.474 16.079 20.281 714 HD2 HIS 99 HD2 HIS 99 92.429 15.938 16.113 715 HE1 HIS 99 HE1 HIS 99 91.823 13.713 19.652 716 H HIS 100 HN HIS 100 95.775 15.919 18.428 717 HA HIS 100 HA HIS 100 96.320 16.478 21.276 718 HB2 HIS 100 HB2 HIS 100 96.698 14.130 21.534 719 HB3 HIS 100 HB1 HIS 100 95.225 14.313 20.581 720 HD1 HIS 100 HD1 HIS 100 95.718 14.250 17.841 721 HD2 HIS 100 HD2 HIS 100 98.526 12.444 20.332 722 HE1 HIS 100 HE1 HIS 100 97.048 12.655 16.388 723 H HIS 101 HN HIS 101 98.492 15.325 21.959 724 HA HIS 101 HA HIS 101 100.662 16.025 20.075 725 HB2 HIS 101 HB2 HIS 101 100.299 17.925 21.638 726 HB3 HIS 101 HB1 HIS 101 100.566 16.831 22.994 727 HD1 HIS 101 HD1 HIS 101 102.393 18.063 19.880 728 HD2 HIS 101 HD2 HIS 101 103.230 16.504 23.656 729 HE1 HIS 101 HE1 HIS 101 104.912 18.141 20.143 730 H HIS 102 HN HIS 102 102.346 14.619 20.091 731 HA HIS 102 HA HIS 102 102.789 12.811 22.330 732 HB2 HIS 102 HB2 HIS 102 102.580 10.788 20.868 733 HB3 HIS 102 HB1 HIS 102 101.044 11.609 21.160 734 HD1 HIS 102 HD1 HIS 102 103.167 10.411 18.468 735 HD2 HIS 102 HD2 HIS 102 100.374 13.471 18.903 736 HE1 HIS 102 HE1 HIS 102 102.518 11.128 16.125 737 H HIS 103 HN HIS 103 104.742 11.522 22.071 738 HA HIS 103 HA HIS 103 106.480 12.080 19.819 739 HB2 HIS 103 HB2 HIS 103 108.303 13.004 21.265 740 HB3 HIS 103 HB1 HIS 103 106.918 14.079 21.088 741 HD1 HIS 103 HD1 HIS 103 105.087 12.469 23.165 742 HD2 HIS 103 HD2 HIS 103 108.946 13.878 23.878 743 HE1 HIS 103 HE1 HIS 103 105.319 12.691 25.678 744 H HIS 104 HN HIS 104 108.232 10.728 19.668 745 HA HIS 104 HA HIS 104 108.396 8.516 21.648 746 HB2 HIS 104 HB2 HIS 104 108.611 8.379 18.633 747 HB3 HIS 104 HB1 HIS 104 108.992 7.044 19.723 748 HD1 HIS 104 HD1 HIS 104 106.841 6.722 21.592 749 HD2 HIS 104 HD2 HIS 104 106.011 8.150 17.763 750 HE1 HIS 104 HE1 HIS 104 104.381 6.285 21.184 Start of MODEL 20 1 H1 TRP 1 HT1 TRP 1 58.933 -14.921 -14.292 2 H2 TRP 1 HT2 TRP 1 59.273 -16.439 -14.977 3 H3 TRP 1 HT3 TRP 1 59.125 -15.070 -15.970 4 HA TRP 1 HA TRP 1 61.456 -16.069 -15.077 5 HB2 TRP 1 HB2 TRP 1 61.113 -14.453 -16.915 6 HB3 TRP 1 HB1 TRP 1 60.797 -13.179 -15.738 7 HD1 TRP 1 HD1 TRP 1 62.812 -11.836 -14.984 8 HE1 TRP 1 HE1 TRP 1 65.376 -12.114 -15.107 9 HE3 TRP 1 HE3 TRP 1 63.093 -16.543 -16.932 10 HZ2 TRP 1 HZ2 TRP 1 67.284 -14.077 -15.928 11 HZ3 TRP 1 HZ3 TRP 1 65.299 -17.597 -17.373 12 HH2 TRP 1 HH2 TRP 1 67.392 -16.366 -16.873 13 H ARG 2 HN ARG 2 63.144 -14.954 -13.729 14 HA ARG 2 HA ARG 2 62.180 -14.672 -11.037 15 HB2 ARG 2 HB2 ARG 2 64.925 -14.366 -12.275 16 HB3 ARG 2 HB1 ARG 2 64.606 -14.281 -10.540 17 HG2 ARG 2 HG2 ARG 2 63.713 -16.557 -10.550 18 HG3 ARG 2 HG1 ARG 2 63.908 -16.651 -12.301 19 HD2 ARG 2 HD2 ARG 2 66.336 -16.387 -12.067 20 HD3 ARG 2 HD1 ARG 2 66.165 -16.233 -10.321 21 HE ARG 2 HE ARG 2 65.852 -18.547 -10.186 22 HH11 ARG 2 HH11 ARG 2 67.764 -18.669 -12.536 23 HH12 ARG 2 HH12 ARG 2 66.922 -19.717 -13.625 24 HH21 ARG 2 HH21 ARG 2 63.874 -19.390 -12.007 25 HH22 ARG 2 HH22 ARG 2 64.719 -20.128 -13.329 26 H LEU 3 HN LEU 3 62.373 -12.822 -9.684 27 HA LEU 3 HA LEU 3 63.052 -10.254 -10.919 28 HB2 LEU 3 HB2 LEU 3 60.920 -9.241 -10.012 29 HB3 LEU 3 HB1 LEU 3 60.728 -10.264 -11.430 30 HG LEU 3 HG LEU 3 60.459 -11.574 -8.737 31 HD11 LEU 3 HD11 LEU 3 59.114 -9.584 -8.408 32 HD12 LEU 3 HD12 LEU 3 58.038 -10.951 -8.687 33 HD13 LEU 3 HD13 LEU 3 58.347 -9.793 -9.981 34 HD21 LEU 3 HD21 LEU 3 60.264 -12.727 -11.041 35 HD22 LEU 3 HD22 LEU 3 58.736 -11.873 -11.209 36 HD23 LEU 3 HD23 LEU 3 58.961 -13.027 -9.896 37 H GLU 4 HN GLU 4 64.807 -10.349 -9.468 38 HA GLU 4 HA GLU 4 64.082 -9.579 -6.706 39 HB2 GLU 4 HB2 GLU 4 66.192 -11.609 -7.490 40 HB3 GLU 4 HB1 GLU 4 65.942 -10.978 -5.861 41 HG2 GLU 4 HG2 GLU 4 64.707 -12.975 -5.820 42 HG3 GLU 4 HG1 GLU 4 63.472 -11.772 -6.181 43 H ILE 5 HN ILE 5 67.149 -10.191 -8.403 44 HA ILE 5 HA ILE 5 68.079 -7.514 -7.596 45 HB ILE 5 HB ILE 5 69.605 -9.797 -8.861 46 HG12 ILE 5 HG12 ILE 5 68.762 -10.495 -6.674 47 HG13 ILE 5 HG11 ILE 5 70.486 -10.163 -6.552 48 HG21 ILE 5 HG21 ILE 5 71.556 -8.511 -7.897 49 HG22 ILE 5 HG22 ILE 5 70.436 -7.186 -7.578 50 HG23 ILE 5 HG23 ILE 5 70.727 -7.716 -9.235 51 HD11 ILE 5 HD11 ILE 5 69.640 -9.069 -4.665 52 HD12 ILE 5 HD12 ILE 5 68.176 -8.551 -5.496 53 HD13 ILE 5 HD13 ILE 5 69.710 -7.756 -5.837 54 H LEU 6 HN LEU 6 67.506 -5.978 -9.014 55 HA LEU 6 HA LEU 6 67.644 -6.543 -11.913 56 HB2 LEU 6 HB2 LEU 6 66.280 -4.444 -10.242 57 HB3 LEU 6 HB1 LEU 6 66.651 -4.093 -11.929 58 HG LEU 6 HG LEU 6 65.441 -6.162 -12.602 59 HD11 LEU 6 HD11 LEU 6 64.872 -6.324 -9.635 60 HD12 LEU 6 HD12 LEU 6 65.710 -7.514 -10.631 61 HD13 LEU 6 HD13 LEU 6 63.989 -7.237 -10.856 62 HD21 LEU 6 HD21 LEU 6 63.702 -4.446 -10.808 63 HD22 LEU 6 HD22 LEU 6 63.225 -5.293 -12.279 64 HD23 LEU 6 HD23 LEU 6 64.299 -3.896 -12.376 65 H GLU 7 HN GLU 7 68.536 -3.804 -9.772 66 HA GLU 7 HA GLU 7 71.063 -3.519 -11.323 67 HB2 GLU 7 HB2 GLU 7 69.250 -1.401 -10.152 68 HB3 GLU 7 HB1 GLU 7 70.913 -1.072 -10.637 69 HG2 GLU 7 HG2 GLU 7 70.425 -1.777 -12.921 70 HG3 GLU 7 HG1 GLU 7 68.784 -2.231 -12.463 71 H LEU 8 HN LEU 8 72.656 -4.288 -10.080 72 HA LEU 8 HA LEU 8 72.651 -3.725 -7.167 73 HB2 LEU 8 HB2 LEU 8 72.506 -6.117 -7.884 74 HB3 LEU 8 HB1 LEU 8 74.062 -5.933 -8.689 75 HG LEU 8 HG LEU 8 75.111 -5.365 -6.522 76 HD11 LEU 8 HD11 LEU 8 73.560 -4.415 -5.083 77 HD12 LEU 8 HD12 LEU 8 73.494 -6.071 -4.489 78 HD13 LEU 8 HD13 LEU 8 72.257 -5.484 -5.600 79 HD21 LEU 8 HD21 LEU 8 75.225 -7.669 -7.119 80 HD22 LEU 8 HD22 LEU 8 73.524 -7.932 -6.743 81 HD23 LEU 8 HD23 LEU 8 74.682 -7.668 -5.441 82 H LEU 9 HN LEU 9 74.254 -2.467 -6.372 83 HA LEU 9 HA LEU 9 76.568 -1.830 -8.133 84 HB2 LEU 9 HB2 LEU 9 75.423 -0.170 -5.879 85 HB3 LEU 9 HB1 LEU 9 76.695 0.305 -7.006 86 HG LEU 9 HG LEU 9 73.839 -0.367 -7.770 87 HD11 LEU 9 HD11 LEU 9 74.181 1.785 -6.503 88 HD12 LEU 9 HD12 LEU 9 73.549 2.004 -8.133 89 HD13 LEU 9 HD13 LEU 9 75.254 2.316 -7.798 90 HD21 LEU 9 HD21 LEU 9 74.729 0.810 -9.950 91 HD22 LEU 9 HD22 LEU 9 75.109 -0.887 -9.675 92 HD23 LEU 9 HD23 LEU 9 76.317 0.353 -9.333 93 H LYS 10 HN LYS 10 78.514 -2.487 -7.461 94 HA LYS 10 HA LYS 10 78.989 -2.888 -4.566 95 HB2 LYS 10 HB2 LYS 10 80.271 -4.727 -6.571 96 HB3 LYS 10 HB1 LYS 10 80.021 -4.964 -4.846 97 HG2 LYS 10 HG2 LYS 10 77.506 -4.729 -6.457 98 HG3 LYS 10 HG1 LYS 10 78.481 -6.134 -6.819 99 HD2 LYS 10 HD2 LYS 10 77.055 -6.893 -5.125 100 HD3 LYS 10 HD1 LYS 10 78.529 -6.502 -4.252 101 HE2 LYS 10 HE2 LYS 10 77.596 -4.346 -3.571 102 HE3 LYS 10 HE1 LYS 10 76.154 -4.643 -4.540 103 HZ1 LYS 10 HZ1 LYS 10 76.591 -6.841 -2.845 104 HZ2 LYS 10 HZ2 LYS 10 75.276 -5.763 -2.863 105 HZ3 LYS 10 HZ3 LYS 10 76.643 -5.426 -1.906 106 H ASN 11 HN ASN 11 81.639 -3.624 -4.671 107 HA ASN 11 HA ASN 11 83.702 -2.691 -4.704 108 HB2 ASN 11 HB2 ASN 11 82.700 -1.936 -7.447 109 HB3 ASN 11 HB1 ASN 11 84.339 -1.564 -6.917 110 HD21 ASN 11 HD21 ASN 11 82.734 -3.797 -8.704 111 HD22 ASN 11 HD22 ASN 11 83.683 -5.167 -8.389 112 H ALA 12 HN ALA 12 84.016 -1.110 -3.239 113 HA ALA 12 HA ALA 12 83.593 1.651 -4.087 114 HB1 ALA 12 HB1 ALA 12 82.484 1.016 -1.382 115 HB2 ALA 12 HB2 ALA 12 81.512 0.612 -2.792 116 HB3 ALA 12 HB3 ALA 12 82.019 2.277 -2.525 117 H ALA 13 HN ALA 13 85.184 2.887 -3.496 118 HA ALA 13 HA ALA 13 86.887 2.185 -1.162 119 HB1 ALA 13 HB1 ALA 13 87.782 3.436 -3.784 120 HB2 ALA 13 HB2 ALA 13 88.037 1.746 -3.339 121 HB3 ALA 13 HB3 ALA 13 88.813 3.028 -2.410 122 H VAL 14 HN VAL 14 87.133 3.886 0.274 123 HA VAL 14 HA VAL 14 86.371 6.600 -0.672 124 HB VAL 14 HB VAL 14 85.258 6.834 1.676 125 HG11 VAL 14 HG11 VAL 14 83.974 5.092 -0.444 126 HG12 VAL 14 HG12 VAL 14 84.066 6.852 -0.507 127 HG13 VAL 14 HG13 VAL 14 83.133 6.064 0.765 128 HG21 VAL 14 HG21 VAL 14 85.102 3.827 1.277 129 HG22 VAL 14 HG22 VAL 14 84.385 4.758 2.594 130 HG23 VAL 14 HG23 VAL 14 86.137 4.614 2.470 131 H ARG 15 HN ARG 15 88.163 7.741 -0.507 132 HA ARG 15 HA ARG 15 90.169 7.334 1.473 133 HB2 ARG 15 HB2 ARG 15 89.548 9.671 -0.344 134 HB3 ARG 15 HB1 ARG 15 90.918 9.654 0.764 135 HG2 ARG 15 HG2 ARG 15 91.811 7.658 -0.310 136 HG3 ARG 15 HG1 ARG 15 90.413 7.584 -1.384 137 HD2 ARG 15 HD2 ARG 15 92.251 9.978 -1.230 138 HD3 ARG 15 HD1 ARG 15 92.483 8.662 -2.379 139 HE ARG 15 HE ARG 15 89.825 9.583 -2.588 140 HH11 ARG 15 HH11 ARG 15 93.059 10.719 -3.044 141 HH12 ARG 15 HH12 ARG 15 92.670 11.720 -4.402 142 HH21 ARG 15 HH21 ARG 15 89.316 10.839 -4.416 143 HH22 ARG 15 HH22 ARG 15 90.546 11.788 -5.180 144 H ALA 16 HN ALA 16 90.792 9.321 2.871 145 HA ALA 16 HA ALA 16 88.886 9.625 4.893 146 HB1 ALA 16 HB1 ALA 16 91.044 11.651 4.313 147 HB2 ALA 16 HB2 ALA 16 91.429 10.045 4.935 148 HB3 ALA 16 HB3 ALA 16 90.417 11.137 5.880 149 H GLY 17 HN GLY 17 87.020 10.751 4.873 150 HA2 GLY 17 HA2 GLY 17 85.597 12.563 4.589 151 HA3 GLY 17 HA1 GLY 17 86.885 13.415 3.749 152 H ALA 18 HN ALA 18 85.889 10.194 2.794 153 HA ALA 18 HA ALA 18 84.610 11.317 0.351 154 HB1 ALA 18 HB1 ALA 18 85.431 9.417 -0.900 155 HB2 ALA 18 HB2 ALA 18 86.119 8.698 0.556 156 HB3 ALA 18 HB3 ALA 18 86.799 10.189 -0.098 157 H GLN 19 HN GLN 19 82.755 10.283 -0.406 158 HA GLN 19 HA GLN 19 81.358 8.675 1.623 159 HB2 GLN 19 HB2 GLN 19 80.241 10.706 0.919 160 HB3 GLN 19 HB1 GLN 19 80.328 10.202 -0.767 161 HG2 GLN 19 HG2 GLN 19 78.853 8.351 -0.376 162 HG3 GLN 19 HG1 GLN 19 78.928 8.580 1.369 163 HE21 GLN 19 HE21 GLN 19 76.487 8.642 -0.318 164 HE22 GLN 19 HE22 GLN 19 75.819 10.188 -0.118 165 H ALA 20 HN ALA 20 80.151 6.854 1.115 166 HA ALA 20 HA ALA 20 80.940 5.430 -1.369 167 HB1 ALA 20 HB1 ALA 20 81.974 4.125 0.268 168 HB2 ALA 20 HB2 ALA 20 80.399 3.354 0.175 169 HB3 ALA 20 HB3 ALA 20 80.750 4.490 1.481 170 H CYS 21 HN CYS 21 79.324 4.442 -2.496 171 HA CYS 21 HA CYS 21 76.554 4.801 -1.476 172 HB2 CYS 21 HB2 CYS 21 76.003 5.039 -3.982 173 HB3 CYS 21 HB1 CYS 21 76.781 6.402 -3.178 174 HG CYS 21 HG CYS 21 78.848 4.543 -4.411 175 H PHE 22 HN PHE 22 75.783 2.884 -0.994 176 HA PHE 22 HA PHE 22 76.126 0.619 -2.892 177 HB2 PHE 22 HB2 PHE 22 75.889 0.668 0.130 178 HB3 PHE 22 HB1 PHE 22 75.482 -0.772 -0.802 179 HD1 PHE 22 HD1 PHE 22 77.214 -1.891 -2.195 180 HD2 PHE 22 HD2 PHE 22 78.170 1.357 0.435 181 HE1 PHE 22 HE1 PHE 22 79.615 -2.487 -2.334 182 HE2 PHE 22 HE2 PHE 22 80.572 0.764 0.297 183 HZ PHE 22 HZ PHE 22 81.295 -1.165 -1.088 184 H THR 23 HN THR 23 74.271 0.776 -4.112 185 HA THR 23 HA THR 23 71.699 0.806 -2.633 186 HB THR 23 HB THR 23 70.772 2.448 -4.014 187 HG1 THR 23 HG1 THR 23 71.659 3.001 -6.002 188 HG21 THR 23 HG21 THR 23 72.171 4.335 -3.807 189 HG22 THR 23 HG22 THR 23 73.633 3.384 -4.068 190 HG23 THR 23 HG23 THR 23 72.750 3.242 -2.548 191 H CYS 24 HN CYS 24 70.149 -0.629 -3.411 192 HA CYS 24 HA CYS 24 70.746 -1.987 -5.973 193 HB2 CYS 24 HB2 CYS 24 70.405 -4.151 -4.956 194 HB3 CYS 24 HB1 CYS 24 71.666 -3.294 -4.072 195 HG CYS 24 HG CYS 24 69.437 -2.600 -2.467 196 H THR 25 HN THR 25 69.013 -1.095 -7.061 197 HA THR 25 HA THR 25 66.383 -0.957 -5.976 198 HB THR 25 HB THR 25 67.071 -1.063 -8.917 199 HG1 THR 25 HG1 THR 25 66.797 1.395 -7.828 200 HG21 THR 25 HG21 THR 25 64.887 0.366 -7.379 201 HG22 THR 25 HG22 THR 25 64.675 -1.160 -8.236 202 HG23 THR 25 HG23 THR 25 65.069 0.304 -9.131 203 H LEU 26 HN LEU 26 65.107 -2.627 -5.518 204 HA LEU 26 HA LEU 26 65.463 -5.199 -6.926 205 HB2 LEU 26 HB2 LEU 26 63.819 -4.620 -4.457 206 HB3 LEU 26 HB1 LEU 26 64.308 -6.196 -5.077 207 HG LEU 26 HG LEU 26 66.182 -4.056 -4.022 208 HD11 LEU 26 HD11 LEU 26 65.197 -6.692 -2.900 209 HD12 LEU 26 HD12 LEU 26 64.954 -5.084 -2.223 210 HD13 LEU 26 HD13 LEU 26 66.567 -5.798 -2.239 211 HD21 LEU 26 HD21 LEU 26 67.397 -5.271 -5.679 212 HD22 LEU 26 HD22 LEU 26 66.627 -6.793 -5.226 213 HD23 LEU 26 HD23 LEU 26 67.810 -6.053 -4.154 214 H SER 27 HN SER 27 63.157 -6.439 -6.726 215 HA SER 27 HA SER 27 61.207 -4.748 -8.190 216 HB2 SER 27 HB2 SER 27 62.168 -6.498 -9.597 217 HB3 SER 27 HB1 SER 27 61.757 -7.720 -8.399 218 HG SER 27 HG SER 27 59.727 -7.628 -9.001 219 H GLU 28 HN GLU 28 61.799 -5.984 -5.237 220 HA GLU 28 HA GLU 28 58.920 -6.486 -4.660 221 HB2 GLU 28 HB2 GLU 28 61.352 -7.787 -3.407 222 HB3 GLU 28 HB1 GLU 28 59.704 -7.965 -2.814 223 HG2 GLU 28 HG2 GLU 28 60.635 -8.737 -5.586 224 HG3 GLU 28 HG1 GLU 28 60.418 -9.854 -4.241 225 H ALA 29 HN ALA 29 58.075 -5.109 -3.205 226 HA ALA 29 HA ALA 29 59.845 -3.287 -1.755 227 HB1 ALA 29 HB1 ALA 29 57.970 -2.171 -2.647 228 HB2 ALA 29 HB2 ALA 29 57.577 -2.382 -0.942 229 HB3 ALA 29 HB3 ALA 29 56.861 -3.448 -2.150 230 H VAL 30 HN VAL 30 60.775 -5.124 -0.576 231 HA VAL 30 HA VAL 30 59.191 -6.594 1.282 232 HB VAL 30 HB VAL 30 62.171 -6.225 0.985 233 HG11 VAL 30 HG11 VAL 30 62.370 -8.242 2.397 234 HG12 VAL 30 HG12 VAL 30 60.625 -8.244 2.644 235 HG13 VAL 30 HG13 VAL 30 61.607 -6.928 3.292 236 HG21 VAL 30 HG21 VAL 30 61.013 -7.295 -0.917 237 HG22 VAL 30 HG22 VAL 30 60.301 -8.477 0.184 238 HG23 VAL 30 HG23 VAL 30 62.046 -8.440 -0.065 239 HA PRO 31 HA PRO 31 59.170 -3.286 4.339 240 HB2 PRO 31 HB2 PRO 31 58.523 -5.070 6.545 241 HB3 PRO 31 HB1 PRO 31 57.459 -3.943 5.697 242 HG2 PRO 31 HG2 PRO 31 57.405 -6.756 5.565 243 HG3 PRO 31 HG1 PRO 31 56.498 -5.624 4.554 244 HD2 PRO 31 HD2 PRO 31 58.854 -7.245 3.849 245 HD3 PRO 31 HD1 PRO 31 57.704 -6.397 2.796 246 H VAL 32 HN VAL 32 59.849 -4.183 7.192 247 HA VAL 32 HA VAL 32 62.782 -4.488 6.824 248 HB VAL 32 HB VAL 32 63.101 -3.114 8.798 249 HG11 VAL 32 HG11 VAL 32 62.946 -1.957 6.651 250 HG12 VAL 32 HG12 VAL 32 62.223 -0.963 7.914 251 HG13 VAL 32 HG13 VAL 32 61.191 -1.865 6.804 252 HG21 VAL 32 HG21 VAL 32 60.890 -1.872 9.590 253 HG22 VAL 32 HG22 VAL 32 61.300 -3.455 10.249 254 HG23 VAL 32 HG23 VAL 32 60.098 -3.321 8.963 255 H GLY 33 HN GLY 33 63.271 -6.473 7.315 256 HA2 GLY 33 HA2 GLY 33 63.374 -7.649 9.744 257 HA3 GLY 33 HA1 GLY 33 61.754 -8.072 9.182 258 H GLU 34 HN GLU 34 61.914 -8.613 6.616 259 HA GLU 34 HA GLU 34 63.339 -11.089 6.489 260 HB2 GLU 34 HB2 GLU 34 61.882 -9.480 4.382 261 HB3 GLU 34 HB1 GLU 34 62.560 -11.084 4.094 262 HG2 GLU 34 HG2 GLU 34 61.172 -12.001 5.913 263 HG3 GLU 34 HG1 GLU 34 60.497 -10.399 6.209 264 H ALA 35 HN ALA 35 63.797 -7.860 5.129 265 HA ALA 35 HA ALA 35 66.213 -8.593 3.709 266 HB1 ALA 35 HB1 ALA 35 65.158 -5.827 4.365 267 HB2 ALA 35 HB2 ALA 35 64.647 -6.762 2.958 268 HB3 ALA 35 HB3 ALA 35 66.328 -6.248 3.113 269 H SER 36 HN SER 36 68.350 -7.931 4.305 270 HA SER 36 HA SER 36 68.678 -6.941 7.072 271 HB2 SER 36 HB2 SER 36 68.844 -9.411 7.090 272 HB3 SER 36 HB1 SER 36 70.120 -9.322 5.877 273 HG SER 36 HG SER 36 70.586 -7.657 7.965 274 H TRP 37 HN TRP 37 70.323 -5.565 7.355 275 HA TRP 37 HA TRP 37 72.306 -5.219 5.189 276 HB2 TRP 37 HB2 TRP 37 70.393 -3.186 6.299 277 HB3 TRP 37 HB1 TRP 37 71.979 -2.659 5.749 278 HD1 TRP 37 HD1 TRP 37 68.594 -3.619 4.506 279 HE1 TRP 37 HE1 TRP 37 68.578 -3.602 1.931 280 HE3 TRP 37 HE3 TRP 37 73.605 -3.246 3.594 281 HZ2 TRP 37 HZ2 TRP 37 70.444 -3.447 -0.232 282 HZ3 TRP 37 HZ3 TRP 37 74.457 -3.165 1.274 283 HH2 TRP 37 HH2 TRP 37 72.888 -3.270 -0.643 284 H TYR 38 HN TYR 38 74.088 -5.808 6.212 285 HA TYR 38 HA TYR 38 74.998 -4.165 8.455 286 HB2 TYR 38 HB2 TYR 38 74.910 -7.185 8.684 287 HB3 TYR 38 HB1 TYR 38 75.730 -6.092 9.809 288 HD1 TYR 38 HD1 TYR 38 72.394 -6.987 8.382 289 HD2 TYR 38 HD2 TYR 38 74.514 -4.927 11.496 290 HE1 TYR 38 HE1 TYR 38 70.263 -6.638 9.600 291 HE2 TYR 38 HE2 TYR 38 72.384 -4.577 12.714 292 HH TYR 38 HH TYR 38 69.942 -4.467 12.153 293 H ILE 39 HN ILE 39 77.190 -4.120 8.722 294 HA ILE 39 HA ILE 39 78.826 -5.407 6.618 295 HB ILE 39 HB ILE 39 80.150 -3.437 6.420 296 HG12 ILE 39 HG12 ILE 39 80.263 -2.751 8.792 297 HG13 ILE 39 HG11 ILE 39 79.794 -1.400 7.775 298 HG21 ILE 39 HG21 ILE 39 78.555 -1.785 5.633 299 HG22 ILE 39 HG22 ILE 39 77.274 -2.487 6.621 300 HG23 ILE 39 HG23 ILE 39 77.937 -3.394 5.259 301 HD11 ILE 39 HD11 ILE 39 78.273 -1.209 9.526 302 HD12 ILE 39 HD12 ILE 39 78.126 -2.942 9.726 303 HD13 ILE 39 HD13 ILE 39 77.336 -2.151 8.374 304 H ASN 40 HN ASN 40 80.572 -6.652 7.469 305 HA ASN 40 HA ASN 40 80.615 -7.109 10.227 306 HB2 ASN 40 HB2 ASN 40 82.626 -7.699 8.052 307 HB3 ASN 40 HB1 ASN 40 82.783 -8.277 9.712 308 HD21 ASN 40 HD21 ASN 40 81.819 -9.363 6.772 309 HD22 ASN 40 HD22 ASN 40 80.600 -10.448 7.237 310 H GLY 41 HN GLY 41 81.663 -6.211 11.838 311 HA2 GLY 41 HA2 GLY 41 83.569 -5.124 12.818 312 HA3 GLY 41 HA1 GLY 41 83.803 -4.239 11.310 313 H ALA 42 HN ALA 42 80.510 -4.377 11.837 314 HA ALA 42 HA ALA 42 80.283 -2.265 13.793 315 HB1 ALA 42 HB1 ALA 42 80.137 -1.645 10.852 316 HB2 ALA 42 HB2 ALA 42 81.044 -0.803 12.106 317 HB3 ALA 42 HB3 ALA 42 79.289 -0.660 12.044 318 H ALA 43 HN ALA 43 78.227 -2.128 14.570 319 HA ALA 43 HA ALA 43 76.192 -3.873 13.315 320 HB1 ALA 43 HB1 ALA 43 76.885 -4.145 15.768 321 HB2 ALA 43 HB2 ALA 43 75.157 -4.016 15.441 322 HB3 ALA 43 HB3 ALA 43 76.042 -2.623 16.061 323 H VAL 44 HN VAL 44 74.420 -2.995 12.377 324 HA VAL 44 HA VAL 44 74.185 -0.083 12.318 325 HB VAL 44 HB VAL 44 72.353 -2.020 10.911 326 HG11 VAL 44 HG11 VAL 44 71.696 0.269 10.671 327 HG12 VAL 44 HG12 VAL 44 72.501 -0.167 9.163 328 HG13 VAL 44 HG13 VAL 44 73.354 0.791 10.370 329 HG21 VAL 44 HG21 VAL 44 74.498 -2.883 10.345 330 HG22 VAL 44 HG22 VAL 44 75.191 -1.269 10.194 331 HG23 VAL 44 HG23 VAL 44 74.029 -1.845 8.999 332 H GLN 45 HN GLN 45 73.089 0.856 13.943 333 HA GLN 45 HA GLN 45 70.515 -0.338 14.806 334 HB2 GLN 45 HB2 GLN 45 72.780 0.783 16.444 335 HB3 GLN 45 HB1 GLN 45 71.132 0.859 17.064 336 HG2 GLN 45 HG2 GLN 45 70.905 -1.535 16.971 337 HG3 GLN 45 HG1 GLN 45 72.402 -1.702 16.051 338 HE21 GLN 45 HE21 GLN 45 74.402 -1.689 17.227 339 HE22 GLN 45 HE22 GLN 45 74.466 -1.629 18.918 340 HA PRO 46 HA PRO 46 68.522 3.458 13.738 341 HB2 PRO 46 HB2 PRO 46 67.273 3.967 16.302 342 HB3 PRO 46 HB1 PRO 46 66.534 3.286 14.848 343 HG2 PRO 46 HG2 PRO 46 67.470 1.925 17.264 344 HG3 PRO 46 HG1 PRO 46 66.384 1.341 15.997 345 HD2 PRO 46 HD2 PRO 46 68.967 0.425 16.361 346 HD3 PRO 46 HD1 PRO 46 68.100 0.346 14.812 347 H ASP 47 HN ASP 47 70.776 3.187 16.235 348 HA ASP 47 HA ASP 47 71.056 6.117 16.567 349 HB2 ASP 47 HB2 ASP 47 72.204 5.650 18.628 350 HB3 ASP 47 HB1 ASP 47 70.712 4.709 18.629 351 H ASP 48 HN ASP 48 71.954 4.513 14.258 352 HA ASP 48 HA ASP 48 74.460 3.660 14.022 353 HB2 ASP 48 HB2 ASP 48 74.644 4.741 11.812 354 HB3 ASP 48 HB1 ASP 48 73.073 3.970 12.057 355 H SER 49 HN SER 49 76.425 4.580 13.327 356 HA SER 49 HA SER 49 77.179 6.925 14.953 357 HB2 SER 49 HB2 SER 49 78.429 4.739 15.151 358 HB3 SER 49 HB1 SER 49 79.028 5.019 13.518 359 HG SER 49 HG SER 49 79.898 6.997 14.261 360 H ASP 50 HN ASP 50 78.083 5.618 11.747 361 HA ASP 50 HA ASP 50 78.095 8.404 10.703 362 HB2 ASP 50 HB2 ASP 50 80.044 6.163 10.317 363 HB3 ASP 50 HB1 ASP 50 79.941 7.490 9.159 364 H TRP 51 HN TRP 51 77.474 4.974 9.907 365 HA TRP 51 HA TRP 51 76.554 5.739 7.244 366 HB2 TRP 51 HB2 TRP 51 76.027 3.297 6.985 367 HB3 TRP 51 HB1 TRP 51 77.717 3.644 7.310 368 HD1 TRP 51 HD1 TRP 51 74.932 1.561 8.476 369 HE1 TRP 51 HE1 TRP 51 75.478 0.479 10.754 370 HE3 TRP 51 HE3 TRP 51 79.090 4.211 9.714 371 HZ2 TRP 51 HZ2 TRP 51 77.446 0.715 12.826 372 HZ3 TRP 51 HZ3 TRP 51 80.296 3.769 11.833 373 HH2 TRP 51 HH2 TRP 51 79.477 2.021 13.387 374 H THR 52 HN THR 52 74.512 5.126 6.431 375 HA THR 52 HA THR 52 72.301 5.154 8.400 376 HB THR 52 HB THR 52 72.655 6.839 5.906 377 HG1 THR 52 HG1 THR 52 73.551 7.524 7.949 378 HG21 THR 52 HG21 THR 52 70.339 7.740 6.811 379 HG22 THR 52 HG22 THR 52 70.195 6.110 7.466 380 HG23 THR 52 HG23 THR 52 70.388 6.350 5.727 381 H VAL 53 HN VAL 53 70.485 3.901 7.761 382 HA VAL 53 HA VAL 53 70.724 2.495 5.161 383 HB VAL 53 HB VAL 53 71.521 0.932 6.867 384 HG11 VAL 53 HG11 VAL 53 68.843 1.249 8.241 385 HG12 VAL 53 HG12 VAL 53 70.283 2.126 8.751 386 HG13 VAL 53 HG13 VAL 53 70.255 0.367 8.817 387 HG21 VAL 53 HG21 VAL 53 69.995 0.163 4.999 388 HG22 VAL 53 HG22 VAL 53 68.656 0.241 6.149 389 HG23 VAL 53 HG23 VAL 53 69.993 -0.879 6.425 390 H THR 54 HN THR 54 68.888 2.529 4.033 391 HA THR 54 HA THR 54 66.316 2.817 5.434 392 HB THR 54 HB THR 54 65.631 4.660 4.017 393 HG1 THR 54 HG1 THR 54 67.470 3.854 2.449 394 HG21 THR 54 HG21 THR 54 66.840 6.384 5.063 395 HG22 THR 54 HG22 THR 54 68.328 5.440 5.085 396 HG23 THR 54 HG23 THR 54 67.000 5.021 6.168 397 H ALA 55 HN ALA 55 64.500 2.219 4.149 398 HA ALA 55 HA ALA 55 65.109 0.864 1.588 399 HB1 ALA 55 HB1 ALA 55 63.837 -1.084 2.281 400 HB2 ALA 55 HB2 ALA 55 63.458 -0.334 3.830 401 HB3 ALA 55 HB3 ALA 55 65.119 -0.801 3.458 402 H ASP 56 HN ASP 56 64.008 2.242 0.294 403 HA ASP 56 HA ASP 56 61.201 2.908 0.964 404 HB2 ASP 56 HB2 ASP 56 63.175 4.125 -0.981 405 HB3 ASP 56 HB1 ASP 56 61.460 4.544 -0.951 406 H GLY 57 HN GLY 57 59.857 1.381 0.209 407 HA2 GLY 57 HA2 GLY 57 58.754 0.021 -1.296 408 HA3 GLY 57 HA1 GLY 57 59.530 0.956 -2.572 409 H SER 58 HN SER 58 60.409 -0.496 -3.935 410 HA SER 58 HA SER 58 61.809 -2.859 -2.862 411 HB2 SER 58 HB2 SER 58 61.231 -2.197 -5.751 412 HB3 SER 58 HB1 SER 58 61.689 -3.759 -5.079 413 HG SER 58 HG SER 58 59.317 -2.299 -4.503 414 H HIS 59 HN HIS 59 63.185 -0.651 -2.231 415 HA HIS 59 HA HIS 59 65.624 -0.968 -3.781 416 HB2 HIS 59 HB2 HIS 59 64.630 0.802 -5.057 417 HB3 HIS 59 HB1 HIS 59 64.162 1.673 -3.603 418 HD1 HIS 59 HD1 HIS 59 65.593 3.732 -3.652 419 HD2 HIS 59 HD2 HIS 59 67.799 0.284 -4.437 420 HE1 HIS 59 HE1 HIS 59 68.024 4.440 -3.758 421 H HIS 60 HN HIS 60 67.487 -0.452 -2.611 422 HA HIS 60 HA HIS 60 67.056 0.467 0.186 423 HB2 HIS 60 HB2 HIS 60 68.983 -1.682 -0.735 424 HB3 HIS 60 HB1 HIS 60 68.711 -1.158 0.927 425 HD1 HIS 60 HD1 HIS 60 66.167 -1.534 1.829 426 HD2 HIS 60 HD2 HIS 60 67.226 -3.649 -1.604 427 HE1 HIS 60 HE1 HIS 60 64.421 -3.347 1.536 428 H ALA 61 HN ALA 61 68.593 1.884 1.003 429 HA ALA 61 HA ALA 61 70.904 2.545 -0.706 430 HB1 ALA 61 HB1 ALA 61 68.931 4.096 -1.119 431 HB2 ALA 61 HB2 ALA 61 70.437 4.877 -0.631 432 HB3 ALA 61 HB3 ALA 61 69.137 4.653 0.544 433 H LEU 62 HN LEU 62 72.634 2.319 0.473 434 HA LEU 62 HA LEU 62 72.639 3.133 3.320 435 HB2 LEU 62 HB2 LEU 62 72.787 0.626 2.798 436 HB3 LEU 62 HB1 LEU 62 74.366 0.968 2.107 437 HG LEU 62 HG LEU 62 73.622 1.789 4.927 438 HD11 LEU 62 HD11 LEU 62 74.714 -0.836 3.892 439 HD12 LEU 62 HD12 LEU 62 73.355 -0.571 4.985 440 HD13 LEU 62 HD13 LEU 62 75.004 -0.298 5.547 441 HD21 LEU 62 HD21 LEU 62 76.183 1.614 3.326 442 HD22 LEU 62 HD22 LEU 62 76.228 1.481 5.081 443 HD23 LEU 62 HD23 LEU 62 75.586 2.938 4.328 444 H LEU 63 HN LEU 63 74.059 4.806 3.720 445 HA LEU 63 HA LEU 63 76.435 5.055 1.957 446 HB2 LEU 63 HB2 LEU 63 76.079 7.461 1.689 447 HB3 LEU 63 HB1 LEU 63 74.730 6.537 1.019 448 HG LEU 63 HG LEU 63 73.842 6.906 3.599 449 HD11 LEU 63 HD11 LEU 63 74.902 9.649 3.014 450 HD12 LEU 63 HD12 LEU 63 76.002 8.494 3.757 451 HD13 LEU 63 HD13 LEU 63 74.487 8.902 4.557 452 HD21 LEU 63 HD21 LEU 63 73.480 8.835 1.281 453 HD22 LEU 63 HD22 LEU 63 72.412 8.701 2.677 454 HD23 LEU 63 HD23 LEU 63 72.556 7.356 1.545 455 H LEU 64 HN LEU 64 78.243 5.649 2.879 456 HA LEU 64 HA LEU 64 78.245 6.522 5.707 457 HB2 LEU 64 HB2 LEU 64 79.494 4.386 5.084 458 HB3 LEU 64 HB1 LEU 64 80.517 5.382 4.049 459 HG LEU 64 HG LEU 64 80.906 6.810 6.201 460 HD11 LEU 64 HD11 LEU 64 79.235 5.764 7.646 461 HD12 LEU 64 HD12 LEU 64 80.840 5.401 8.269 462 HD13 LEU 64 HD13 LEU 64 79.954 4.178 7.368 463 HD21 LEU 64 HD21 LEU 64 82.710 5.186 6.918 464 HD22 LEU 64 HD22 LEU 64 82.708 5.568 5.199 465 HD23 LEU 64 HD23 LEU 64 82.042 4.038 5.763 466 H ARG 65 HN ARG 65 78.379 8.741 5.710 467 HA ARG 65 HA ARG 65 79.201 10.143 3.430 468 HB2 ARG 65 HB2 ARG 65 77.747 11.023 5.304 469 HB3 ARG 65 HB1 ARG 65 79.220 11.294 6.224 470 HG2 ARG 65 HG2 ARG 65 80.111 12.680 4.394 471 HG3 ARG 65 HG1 ARG 65 78.631 12.398 3.475 472 HD2 ARG 65 HD2 ARG 65 78.460 14.563 4.584 473 HD3 ARG 65 HD1 ARG 65 77.327 13.448 5.334 474 HE ARG 65 HE ARG 65 79.809 13.400 6.719 475 HH11 ARG 65 HH21 ARG 65 76.919 15.226 6.215 476 HH12 ARG 65 HH22 ARG 65 77.035 16.089 7.712 477 HH21 ARG 65 HH11 ARG 65 80.004 14.571 8.655 478 HH22 ARG 65 HH12 ARG 65 78.782 15.717 9.095 479 H SER 66 HN SER 66 80.946 11.087 6.352 480 HA SER 66 HA SER 66 83.417 11.063 4.836 481 HB2 SER 66 HB2 SER 66 83.069 11.781 7.743 482 HB3 SER 66 HB1 SER 66 84.359 12.282 6.649 483 HG SER 66 HG SER 66 82.164 12.999 5.470 484 H ALA 67 HN ALA 67 84.286 9.084 4.556 485 HA ALA 67 HA ALA 67 84.211 6.977 6.474 486 HB1 ALA 67 HB1 ALA 67 86.239 7.293 4.257 487 HB2 ALA 67 HB2 ALA 67 84.582 6.771 3.960 488 HB3 ALA 67 HB3 ALA 67 85.645 5.796 4.971 489 H GLN 68 HN GLN 68 85.631 6.406 8.049 490 HA GLN 68 HA GLN 68 88.147 7.929 8.328 491 HB2 GLN 68 HB2 GLN 68 86.021 7.479 10.424 492 HB3 GLN 68 HB1 GLN 68 87.693 7.835 10.853 493 HG2 GLN 68 HG2 GLN 68 87.627 9.944 9.704 494 HG3 GLN 68 HG1 GLN 68 86.065 9.567 8.982 495 HE21 GLN 68 HE21 GLN 68 84.153 9.655 10.382 496 HE22 GLN 68 HE22 GLN 68 84.212 10.440 11.889 497 HA PRO 69 HA PRO 69 89.808 3.821 8.727 498 HB2 PRO 69 HB2 PRO 69 91.857 4.543 10.635 499 HB3 PRO 69 HB1 PRO 69 92.040 4.247 8.903 500 HG2 PRO 69 HG2 PRO 69 92.046 6.771 10.311 501 HG3 PRO 69 HG1 PRO 69 92.385 6.454 8.605 502 HD2 PRO 69 HD2 PRO 69 90.076 7.739 9.653 503 HD3 PRO 69 HD1 PRO 69 90.324 7.198 7.979 504 H HIS 70 HN HIS 70 87.906 3.051 9.831 505 HA HIS 70 HA HIS 70 88.393 1.897 12.360 506 HB2 HIS 70 HB2 HIS 70 88.046 4.251 13.140 507 HB3 HIS 70 HB1 HIS 70 86.426 4.197 12.451 508 HD1 HIS 70 HD1 HIS 70 84.916 2.085 13.411 509 HD2 HIS 70 HD2 HIS 70 88.146 3.324 15.737 510 HE1 HIS 70 HE1 HIS 70 84.512 1.177 15.745 511 H HIS 71 HN HIS 71 85.855 3.169 10.232 512 HA HIS 71 HA HIS 71 83.990 1.056 10.916 513 HB2 HIS 71 HB2 HIS 71 82.550 2.136 9.249 514 HB3 HIS 71 HB1 HIS 71 83.221 3.335 10.359 515 HD1 HIS 71 HD1 HIS 71 83.701 1.967 6.862 516 HD2 HIS 71 HD2 HIS 71 84.909 5.220 9.175 517 HE1 HIS 71 HE1 HIS 71 84.956 3.531 5.310 518 H ALA 72 HN ALA 72 86.622 1.344 8.796 519 HA ALA 72 HA ALA 72 85.898 0.087 6.456 520 HB1 ALA 72 HB1 ALA 72 88.423 -0.270 8.078 521 HB2 ALA 72 HB2 ALA 72 88.153 0.889 6.772 522 HB3 ALA 72 HB3 ALA 72 88.222 -0.840 6.421 523 H GLY 73 HN GLY 73 85.693 -2.032 5.731 524 HA2 GLY 73 HA2 GLY 73 86.249 -4.383 7.073 525 HA3 GLY 73 HA1 GLY 73 84.656 -3.905 7.650 526 H GLU 74 HN GLU 74 83.759 -5.797 6.672 527 HA GLU 74 HA GLU 74 83.681 -5.798 3.708 528 HB2 GLU 74 HB2 GLU 74 83.010 -7.977 5.713 529 HB3 GLU 74 HB1 GLU 74 82.841 -8.128 3.964 530 HG2 GLU 74 HG2 GLU 74 84.953 -9.073 4.339 531 HG3 GLU 74 HG1 GLU 74 85.359 -7.414 3.898 532 H VAL 75 HN VAL 75 81.632 -6.097 2.645 533 HA VAL 75 HA VAL 75 79.304 -5.175 4.257 534 HB VAL 75 HB VAL 75 80.048 -4.659 1.368 535 HG11 VAL 75 HG11 VAL 75 77.627 -5.024 1.455 536 HG12 VAL 75 HG12 VAL 75 77.940 -3.299 1.301 537 HG13 VAL 75 HG13 VAL 75 77.493 -3.977 2.865 538 HG21 VAL 75 HG21 VAL 75 81.114 -3.290 3.178 539 HG22 VAL 75 HG22 VAL 75 79.499 -2.746 3.639 540 HG23 VAL 75 HG23 VAL 75 80.135 -2.361 2.041 541 H THR 76 HN THR 76 77.821 -6.667 4.538 542 HA THR 76 HA THR 76 77.310 -8.664 2.396 543 HB THR 76 HB THR 76 77.212 -9.099 5.394 544 HG1 THR 76 HG1 THR 76 79.172 -9.319 3.568 545 HG21 THR 76 HG21 THR 76 76.582 -10.883 3.035 546 HG22 THR 76 HG22 THR 76 75.496 -10.406 4.339 547 HG23 THR 76 HG23 THR 76 76.845 -11.491 4.670 548 H PHE 77 HN PHE 77 75.261 -8.753 1.725 549 HA PHE 77 HA PHE 77 73.071 -7.881 3.501 550 HB2 PHE 77 HB2 PHE 77 72.818 -5.922 2.372 551 HB3 PHE 77 HB1 PHE 77 74.059 -6.378 1.209 552 HD1 PHE 77 HD2 PHE 77 70.474 -7.048 2.077 553 HD2 PHE 77 HD1 PHE 77 73.439 -6.765 -1.024 554 HE1 PHE 77 HE2 PHE 77 68.711 -7.379 0.364 555 HE2 PHE 77 HE1 PHE 77 71.669 -7.091 -2.737 556 HZ PHE 77 HZ PHE 77 69.307 -7.394 -2.040 557 H ALA 78 HN ALA 78 71.245 -9.066 3.272 558 HA ALA 78 HA ALA 78 70.938 -10.821 0.948 559 HB1 ALA 78 HB1 ALA 78 70.836 -12.048 3.697 560 HB2 ALA 78 HB2 ALA 78 72.339 -11.984 2.776 561 HB3 ALA 78 HB3 ALA 78 70.946 -12.851 2.131 562 H CYS 79 HN CYS 79 68.838 -11.728 0.745 563 HA CYS 79 HA CYS 79 66.779 -11.014 2.655 564 HB2 CYS 79 HB2 CYS 79 67.189 -8.945 1.241 565 HB3 CYS 79 HB1 CYS 79 66.590 -9.877 -0.136 566 HG CYS 79 HG CYS 79 64.453 -8.835 0.791 567 H ARG 80 HN ARG 80 65.031 -11.070 0.023 568 HA ARG 80 HA ARG 80 64.104 -13.699 0.283 569 HB2 ARG 80 HB2 ARG 80 63.929 -11.828 -2.092 570 HB3 ARG 80 HB1 ARG 80 62.976 -13.298 -1.908 571 HG2 ARG 80 HG2 ARG 80 62.933 -11.186 0.244 572 HG3 ARG 80 HG1 ARG 80 61.928 -11.006 -1.191 573 HD2 ARG 80 HD2 ARG 80 60.921 -13.234 -0.744 574 HD3 ARG 80 HD1 ARG 80 61.886 -13.361 0.725 575 HE ARG 80 HE ARG 80 60.555 -10.983 0.994 576 HH11 ARG 80 HH11 ARG 80 60.096 -14.213 1.700 577 HH12 ARG 80 HH12 ARG 80 58.378 -14.125 1.907 578 HH21 ARG 80 HH21 ARG 80 58.138 -10.884 0.694 579 HH22 ARG 80 HH22 ARG 80 57.268 -12.239 1.337 580 H ASP 81 HN ASP 81 65.951 -15.062 0.283 581 HA ASP 81 HA ASP 81 67.618 -16.359 -0.656 582 HB2 ASP 81 HB2 ASP 81 65.485 -17.267 -1.640 583 HB3 ASP 81 HB1 ASP 81 65.795 -16.273 -3.064 584 H ALA 82 HN ALA 82 67.582 -13.345 -1.224 585 HA ALA 82 HA ALA 82 69.216 -13.301 -3.690 586 HB1 ALA 82 HB1 ALA 82 68.606 -11.079 -3.953 587 HB2 ALA 82 HB2 ALA 82 68.375 -10.822 -2.222 588 HB3 ALA 82 HB3 ALA 82 67.171 -11.716 -3.149 589 H VAL 83 HN VAL 83 71.154 -14.118 -2.860 590 HA VAL 83 HA VAL 83 72.406 -12.771 -0.580 591 HB VAL 83 HB VAL 83 72.515 -15.241 -0.766 592 HG11 VAL 83 HG11 VAL 83 72.634 -15.204 -3.311 593 HG12 VAL 83 HG12 VAL 83 73.750 -16.318 -2.515 594 HG13 VAL 83 HG13 VAL 83 74.338 -14.774 -3.137 595 HG21 VAL 83 HG21 VAL 83 74.313 -13.906 0.371 596 HG22 VAL 83 HG22 VAL 83 75.229 -13.929 -1.136 597 HG23 VAL 83 HG23 VAL 83 74.891 -15.438 -0.283 598 H ALA 84 HN ALA 84 73.914 -11.221 -0.780 599 HA ALA 84 HA ALA 84 75.478 -10.982 -3.251 600 HB1 ALA 84 HB1 ALA 84 73.737 -9.557 -3.921 601 HB2 ALA 84 HB2 ALA 84 74.897 -8.440 -3.200 602 HB3 ALA 84 HB3 ALA 84 73.477 -8.953 -2.285 603 H SER 85 HN SER 85 77.506 -10.635 -2.730 604 HA SER 85 HA SER 85 78.214 -9.699 -0.050 605 HB2 SER 85 HB2 SER 85 80.555 -10.283 -0.900 606 HB3 SER 85 HB1 SER 85 79.426 -11.625 -0.723 607 HG SER 85 HG SER 85 80.045 -11.936 -2.736 608 H ALA 86 HN ALA 86 80.528 -8.450 -0.354 609 HA ALA 86 HA ALA 86 80.876 -6.593 -2.387 610 HB1 ALA 86 HB1 ALA 86 79.977 -4.532 -0.996 611 HB2 ALA 86 HB2 ALA 86 78.896 -5.747 -0.312 612 HB3 ALA 86 HB3 ALA 86 78.892 -5.446 -2.041 613 H ARG 87 HN ARG 87 82.139 -4.577 -1.534 614 HA ARG 87 HA ARG 87 83.740 -5.307 0.845 615 HB2 ARG 87 HB2 ARG 87 84.837 -6.099 -1.270 616 HB3 ARG 87 HB1 ARG 87 84.920 -4.420 -1.790 617 HG2 ARG 87 HG2 ARG 87 86.158 -3.940 0.392 618 HG3 ARG 87 HG1 ARG 87 86.282 -5.691 0.589 619 HD2 ARG 87 HD2 ARG 87 87.332 -4.067 -1.738 620 HD3 ARG 87 HD1 ARG 87 88.297 -4.858 -0.498 621 HE ARG 87 HE ARG 87 86.948 -6.146 -2.748 622 HH11 ARG 87 HH11 ARG 87 86.376 -7.833 -0.357 623 HH12 ARG 87 HH12 ARG 87 87.744 -8.893 -0.299 624 HH21 ARG 87 HH21 ARG 87 89.682 -6.929 -2.400 625 HH22 ARG 87 HH22 ARG 87 89.618 -8.381 -1.457 626 H LEU 88 HN LEU 88 84.359 -3.640 2.065 627 HA LEU 88 HA LEU 88 83.990 -0.883 1.055 628 HB2 LEU 88 HB2 LEU 88 82.126 -1.314 2.541 629 HB3 LEU 88 HB1 LEU 88 83.201 -1.966 3.772 630 HG LEU 88 HG LEU 88 84.262 0.260 4.021 631 HD11 LEU 88 HD11 LEU 88 82.361 0.941 1.774 632 HD12 LEU 88 HD12 LEU 88 84.092 1.259 1.877 633 HD13 LEU 88 HD13 LEU 88 82.966 2.189 2.861 634 HD21 LEU 88 HD21 LEU 88 82.309 -0.268 5.420 635 HD22 LEU 88 HD22 LEU 88 81.229 0.306 4.148 636 HD23 LEU 88 HD23 LEU 88 82.297 1.440 4.976 637 H THR 89 HN THR 89 85.865 0.197 1.114 638 HA THR 89 HA THR 89 87.722 -0.321 3.333 639 HB THR 89 HB THR 89 88.499 -1.789 1.551 640 HG1 THR 89 HG1 THR 89 89.891 0.478 2.309 641 HG21 THR 89 HG21 THR 89 88.882 0.634 -0.202 642 HG22 THR 89 HG22 THR 89 87.389 -0.306 -0.261 643 HG23 THR 89 HG23 THR 89 88.930 -1.070 -0.651 644 H VAL 90 HN VAL 90 89.187 1.277 3.768 645 HA VAL 90 HA VAL 90 88.513 3.931 2.636 646 HB VAL 90 HB VAL 90 88.054 3.803 5.028 647 HG11 VAL 90 HG11 VAL 90 90.953 3.235 5.628 648 HG12 VAL 90 HG12 VAL 90 89.866 1.895 5.290 649 HG13 VAL 90 HG13 VAL 90 89.533 2.974 6.629 650 HG21 VAL 90 HG21 VAL 90 89.211 5.850 3.998 651 HG22 VAL 90 HG22 VAL 90 90.694 5.256 4.738 652 HG23 VAL 90 HG23 VAL 90 89.314 5.694 5.749 653 H LEU 91 HN LEU 91 89.935 4.405 1.085 654 HA LEU 91 HA LEU 91 92.574 3.310 1.032 655 HB2 LEU 91 HB2 LEU 91 91.433 3.752 -1.049 656 HB3 LEU 91 HB1 LEU 91 91.236 5.451 -0.635 657 HG LEU 91 HG LEU 91 93.664 5.790 -0.721 658 HD11 LEU 91 HD11 LEU 91 93.671 2.793 -1.096 659 HD12 LEU 91 HD12 LEU 91 94.614 3.761 0.036 660 HD13 LEU 91 HD13 LEU 91 95.013 3.778 -1.676 661 HD21 LEU 91 HD21 LEU 91 94.016 5.161 -3.162 662 HD22 LEU 91 HD22 LEU 91 92.548 6.081 -2.827 663 HD23 LEU 91 HD23 LEU 91 92.457 4.339 -3.087 664 H GLY 92 HN GLY 92 94.385 4.073 1.883 665 HA2 GLY 92 HA2 GLY 92 94.314 6.589 3.380 666 HA3 GLY 92 HA1 GLY 92 95.566 5.355 3.461 667 H LEU 93 HN LEU 93 97.040 5.180 1.572 668 HA LEU 93 HA LEU 93 97.543 7.815 0.396 669 HB2 LEU 93 HB2 LEU 93 99.377 5.455 0.903 670 HB3 LEU 93 HB1 LEU 93 99.847 6.878 -0.014 671 HG LEU 93 HG LEU 93 99.123 8.256 2.036 672 HD11 LEU 93 HD11 LEU 93 97.895 6.776 3.384 673 HD12 LEU 93 HD12 LEU 93 99.463 6.817 4.187 674 HD13 LEU 93 HD13 LEU 93 99.040 5.453 3.155 675 HD21 LEU 93 HD21 LEU 93 101.299 7.709 3.228 676 HD22 LEU 93 HD22 LEU 93 101.454 8.048 1.508 677 HD23 LEU 93 HD23 LEU 93 101.504 6.384 2.084 678 HA PRO 94 HA PRO 94 96.293 6.306 -3.541 679 HB2 PRO 94 HB2 PRO 94 98.606 7.283 -4.981 680 HB3 PRO 94 HB1 PRO 94 96.985 7.980 -4.912 681 HG2 PRO 94 HG2 PRO 94 99.400 8.843 -3.559 682 HG3 PRO 94 HG1 PRO 94 97.846 9.677 -3.701 683 HD2 PRO 94 HD2 PRO 94 98.868 8.522 -1.361 684 HD3 PRO 94 HD1 PRO 94 97.172 8.982 -1.624 685 H ASP 95 HN ASP 95 96.588 4.423 -4.699 686 HA ASP 95 HA ASP 95 98.469 2.518 -3.807 687 HB2 ASP 95 HB2 ASP 95 96.221 2.057 -4.876 688 HB3 ASP 95 HB1 ASP 95 96.968 2.442 -6.426 689 H GLY 96 HN GLY 96 100.057 1.387 -5.173 690 HA2 GLY 96 HA2 GLY 96 101.990 3.160 -6.228 691 HA3 GLY 96 HA1 GLY 96 102.017 1.407 -6.386 692 H LEU 97 HN LEU 97 99.563 1.080 -7.783 693 HA LEU 97 HA LEU 97 100.443 1.739 -10.450 694 HB2 LEU 97 HB2 LEU 97 97.892 0.437 -9.456 695 HB3 LEU 97 HB1 LEU 97 98.363 0.570 -11.151 696 HG LEU 97 HG LEU 97 99.999 -0.830 -9.010 697 HD11 LEU 97 HD11 LEU 97 99.244 -2.912 -10.058 698 HD12 LEU 97 HD12 LEU 97 98.288 -2.000 -11.228 699 HD13 LEU 97 HD13 LEU 97 97.846 -1.978 -9.520 700 HD21 LEU 97 HD21 LEU 97 101.562 -0.270 -10.646 701 HD22 LEU 97 HD22 LEU 97 100.381 -0.308 -11.954 702 HD23 LEU 97 HD23 LEU 97 100.993 -1.811 -11.272 703 H GLU 98 HN GLU 98 99.917 3.462 -11.601 704 HA GLU 98 HA GLU 98 97.610 5.125 -10.741 705 HB2 GLU 98 HB2 GLU 98 99.025 7.050 -11.716 706 HB3 GLU 98 HB1 GLU 98 99.515 6.388 -10.153 707 HG2 GLU 98 HG2 GLU 98 101.195 4.963 -11.269 708 HG3 GLU 98 HG1 GLU 98 100.709 5.610 -12.833 709 H HIS 99 HN HIS 99 96.059 5.217 -12.230 710 HA HIS 99 HA HIS 99 96.385 4.204 -14.862 711 HB2 HIS 99 HB2 HIS 99 94.219 5.885 -13.579 712 HB3 HIS 99 HB1 HIS 99 94.136 5.348 -15.258 713 HD1 HIS 99 HD1 HIS 99 94.069 4.046 -11.721 714 HD2 HIS 99 HD2 HIS 99 93.636 2.572 -15.601 715 HE1 HIS 99 HE1 HIS 99 93.200 1.678 -11.499 716 H HIS 100 HN HIS 100 96.528 7.415 -13.433 717 HA HIS 100 HA HIS 100 97.767 8.441 -15.902 718 HB2 HIS 100 HB2 HIS 100 95.569 9.846 -14.362 719 HB3 HIS 100 HB1 HIS 100 96.512 10.550 -15.676 720 HD1 HIS 100 HD1 HIS 100 96.384 9.091 -18.017 721 HD2 HIS 100 HD2 HIS 100 93.318 8.518 -15.244 722 HE1 HIS 100 HE1 HIS 100 94.460 8.031 -19.285 723 H HIS 101 HN HIS 101 99.291 10.051 -15.575 724 HA HIS 101 HA HIS 101 100.057 10.580 -12.752 725 HB2 HIS 101 HB2 HIS 101 101.614 9.036 -13.915 726 HB3 HIS 101 HB1 HIS 101 101.879 10.265 -15.151 727 HD1 HIS 101 HD1 HIS 101 102.133 9.989 -11.348 728 HD2 HIS 101 HD2 HIS 101 103.985 11.933 -14.534 729 HE1 HIS 101 HE1 HIS 101 104.081 11.271 -10.363 730 H HIS 102 HN HIS 102 98.806 11.931 -15.472 731 HA HIS 102 HA HIS 102 100.275 14.337 -15.762 732 HB2 HIS 102 HB2 HIS 102 98.719 13.556 -17.482 733 HB3 HIS 102 HB1 HIS 102 97.367 13.758 -16.371 734 HD1 HIS 102 HD1 HIS 102 100.123 15.867 -17.958 735 HD2 HIS 102 HD2 HIS 102 96.277 16.299 -16.403 736 HE1 HIS 102 HE1 HIS 102 99.449 18.277 -18.370 737 H HIS 103 HN HIS 103 97.417 13.510 -13.824 738 HA HIS 103 HA HIS 103 96.899 16.091 -12.824 739 HB2 HIS 103 HB2 HIS 103 95.288 14.255 -12.639 740 HB3 HIS 103 HB1 HIS 103 96.368 13.407 -11.534 741 HD1 HIS 103 HD1 HIS 103 94.748 16.868 -11.741 742 HD2 HIS 103 HD2 HIS 103 95.819 14.004 -8.905 743 HE1 HIS 103 HE1 HIS 103 93.970 17.753 -9.496 744 H HIS 104 HN HIS 104 98.809 13.422 -11.445 745 HA HIS 104 HA HIS 104 99.572 14.866 -9.110 746 HB2 HIS 104 HB2 HIS 104 100.707 12.408 -10.461 747 HB3 HIS 104 HB1 HIS 104 101.301 13.033 -8.924 748 HD1 HIS 104 HD1 HIS 104 98.020 11.875 -10.482 749 HD2 HIS 104 HD2 HIS 104 99.825 12.182 -6.735 750 HE1 HIS 104 HE1 HIS 104 96.430 10.791 -8.824
Contact the webmaster for help, if required. Saturday, June 8, 2024 7:05:12 AM GMT (wattos1)