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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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646242 |
6uck ![]() ![]() |
50007 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 THR 1 HT1 THR 1 -4.257 -4.679 0.207 2 H2 THR 1 HT2 THR 1 -4.373 -2.994 0.023 3 H3 THR 1 HT3 THR 1 -4.361 -3.684 1.576 4 HA THR 1 HA THR 1 -2.092 -4.573 1.039 5 HB THR 1 HB THR 1 -2.824 -3.381 -1.461 6 HG1 THR 1 HG1 THR 1 -0.553 -4.711 -0.439 7 HG21 THR 1 HG21 THR 1 -0.813 -2.014 -1.892 8 HG22 THR 1 HG22 THR 1 -0.343 -2.168 -0.202 9 HG23 THR 1 HG23 THR 1 -1.816 -1.295 -0.634 10 HA PRO 2 HA PRO 2 -1.220 -1.196 3.775 11 HB2 PRO 2 HB2 PRO 2 1.499 -1.285 3.930 12 HB3 PRO 2 HB1 PRO 2 0.450 -2.504 4.678 13 HG2 PRO 2 HG2 PRO 2 1.996 -2.638 2.142 14 HG3 PRO 2 HG1 PRO 2 1.715 -3.890 3.363 15 HD2 PRO 2 HD2 PRO 2 0.337 -3.750 0.984 16 HD3 PRO 2 HD1 PRO 2 -0.311 -4.508 2.454 17 H ILE 3 HN ILE 3 -0.478 0.972 3.861 18 HA ILE 3 HA ILE 3 -0.326 2.309 1.349 19 HB ILE 3 HB ILE 3 -1.304 3.295 3.429 20 HG12 ILE 3 HG12 ILE 3 -0.172 5.552 3.116 21 HG13 ILE 3 HG11 ILE 3 0.951 4.749 2.019 22 HG21 ILE 3 HG21 ILE 3 0.508 2.447 4.942 23 HG22 ILE 3 HG22 ILE 3 0.186 4.170 5.139 24 HG23 ILE 3 HG23 ILE 3 1.601 3.636 4.231 25 HD11 ILE 3 HD11 ILE 3 -2.048 4.581 1.667 26 HD12 ILE 3 HD12 ILE 3 -0.793 4.172 0.497 27 HD13 ILE 3 HD13 ILE 3 -1.081 5.857 0.929 28 H GLU 4 HN GLU 4 1.392 3.177 0.273 29 HA GLU 4 HA GLU 4 3.952 2.023 0.641 30 HB2 GLU 4 HB2 GLU 4 4.676 3.522 -1.139 31 HB3 GLU 4 HB1 GLU 4 3.098 2.843 -1.541 32 HG2 GLU 4 HG2 GLU 4 2.014 4.897 -0.657 33 HG3 GLU 4 HG1 GLU 4 3.608 5.580 -0.340 34 H SER 5 HN SER 5 5.821 2.813 1.533 35 HA SER 5 HA SER 5 5.559 4.733 3.640 36 HB2 SER 5 HB2 SER 5 7.887 4.287 4.081 37 HB3 SER 5 HB1 SER 5 7.106 2.759 3.685 38 HG SER 5 HG SER 5 8.313 2.622 1.970 39 H HIS 6 HN HIS 6 6.946 6.650 3.858 40 HA HIS 6 HA HIS 6 6.988 8.159 1.344 41 HB2 HIS 6 HB2 HIS 6 7.265 10.131 2.805 42 HB3 HIS 6 HB1 HIS 6 5.845 9.184 3.251 43 HD1 HIS 6 HD1 HIS 6 9.403 9.858 4.356 44 HD2 HIS 6 HD2 HIS 6 5.936 8.071 5.827 45 HE1 HIS 6 HE1 HIS 6 9.840 9.350 6.799 46 HE2 HIS 6 HE2 HIS 6 7.735 8.260 7.710 47 H GLN 7 HN GLN 7 9.047 6.094 2.233 48 HA GLN 7 HA GLN 7 11.450 7.654 2.668 49 HB2 GLN 7 HB2 GLN 7 11.184 5.405 3.663 50 HB3 GLN 7 HB1 GLN 7 11.124 4.709 2.043 51 HG2 GLN 7 HG2 GLN 7 13.377 5.603 1.575 52 HG3 GLN 7 HG1 GLN 7 13.441 6.289 3.197 53 HE21 GLN 7 HE21 GLN 7 14.677 4.989 4.548 54 HE22 GLN 7 HE22 GLN 7 14.715 3.292 4.503 55 H VAL 8 HN VAL 8 12.846 8.349 1.159 56 HA VAL 8 HA VAL 8 12.602 7.298 -1.587 57 HB VAL 8 HB VAL 8 11.377 9.426 -1.486 58 HG11 VAL 8 HG11 VAL 8 14.032 10.537 -0.525 59 HG12 VAL 8 HG12 VAL 8 12.554 10.417 0.431 60 HG13 VAL 8 HG13 VAL 8 12.622 11.505 -0.956 61 HG21 VAL 8 HG21 VAL 8 12.824 8.754 -3.477 62 HG22 VAL 8 HG22 VAL 8 14.047 9.858 -2.848 63 HG23 VAL 8 HG23 VAL 8 12.472 10.477 -3.344 64 H GLU 9 HN GLU 9 14.508 7.151 -2.721 65 HA GLU 9 HA GLU 9 16.953 8.206 -1.481 66 HB2 GLU 9 HB2 GLU 9 17.914 5.822 -2.229 67 HB3 GLU 9 HB1 GLU 9 17.263 6.110 -0.617 68 HG2 GLU 9 HG2 GLU 9 16.353 4.039 -1.671 69 HG3 GLU 9 HG1 GLU 9 15.097 5.209 -1.280 70 H LYS 10 HN LYS 10 16.453 9.644 -3.392 71 HA LYS 10 HA LYS 10 16.524 8.865 -6.046 72 HB2 LYS 10 HB2 LYS 10 17.589 11.136 -6.451 73 HB3 LYS 10 HB1 LYS 10 16.078 11.153 -5.542 74 HG2 LYS 10 HG2 LYS 10 18.387 10.818 -3.792 75 HG3 LYS 10 HG1 LYS 10 18.491 12.302 -4.739 76 HD2 LYS 10 HD2 LYS 10 16.421 13.110 -3.910 77 HD3 LYS 10 HD1 LYS 10 15.958 11.525 -3.290 78 HE2 LYS 10 HE2 LYS 10 17.817 11.642 -1.651 79 HE3 LYS 10 HE1 LYS 10 18.225 13.250 -2.248 80 HZ1 LYS 10 HZ1 LYS 10 16.641 12.929 -0.208 81 HZ2 LYS 10 HZ2 LYS 10 15.464 12.730 -1.417 82 HZ3 LYS 10 HZ3 LYS 10 16.368 14.166 -1.334 83 H ARG 11 HN ARG 11 18.344 9.180 -7.610 84 HA ARG 11 HA ARG 11 20.995 8.610 -6.516 85 HB2 ARG 11 HB2 ARG 11 21.155 6.765 -8.379 86 HB3 ARG 11 HB1 ARG 11 20.465 6.376 -6.808 87 HG2 ARG 11 HG2 ARG 11 19.015 5.463 -8.514 88 HG3 ARG 11 HG1 ARG 11 18.176 6.823 -7.780 89 HD2 ARG 11 HD2 ARG 11 19.877 7.537 -10.082 90 HD3 ARG 11 HD1 ARG 11 18.530 6.478 -10.476 91 HE ARG 11 HE ARG 11 18.358 9.245 -9.746 92 HH11 ARG 11 HH11 ARG 11 16.730 6.166 -9.576 93 HH12 ARG 11 HH12 ARG 11 15.156 6.872 -9.459 94 HH21 ARG 11 HH21 ARG 11 16.289 10.139 -9.594 95 HH22 ARG 11 HH22 ARG 11 14.905 9.106 -9.469 96 H LYS 12 HN LYS 12 22.684 8.655 -8.235 97 HA LYS 12 HA LYS 12 22.519 11.019 -9.737 98 HB2 LYS 12 HB2 LYS 12 24.618 10.254 -10.801 99 HB3 LYS 12 HB1 LYS 12 24.658 10.062 -9.048 100 HG2 LYS 12 HG2 LYS 12 23.961 7.673 -9.347 101 HG3 LYS 12 HG1 LYS 12 24.101 7.894 -11.092 102 HD2 LYS 12 HD2 LYS 12 26.464 8.415 -10.894 103 HD3 LYS 12 HD1 LYS 12 26.360 8.389 -9.134 104 HE2 LYS 12 HE2 LYS 12 27.274 6.269 -9.812 105 HE3 LYS 12 HE1 LYS 12 25.608 5.976 -9.313 106 HZ1 LYS 12 HZ1 LYS 12 26.553 5.086 -11.589 107 HZ2 LYS 12 HZ2 LYS 12 26.085 6.630 -12.121 108 HZ3 LYS 12 HZ3 LYS 12 24.940 5.583 -11.428 109 H CYS 13 HN CYS 13 22.455 11.361 -12.002 110 HA CYS 13 HA CYS 13 20.458 9.856 -13.358 111 HB2 CYS 13 HB2 CYS 13 22.205 12.174 -13.992 112 HB3 CYS 13 HB1 CYS 13 21.537 11.281 -15.358 113 H ASN 14 HN ASN 14 21.387 7.704 -13.219 114 HA ASN 14 HA ASN 14 23.533 7.219 -15.196 115 HB2 ASN 14 HB2 ASN 14 23.873 5.070 -14.005 116 HB3 ASN 14 HB1 ASN 14 24.135 6.468 -12.964 117 HD21 ASN 14 HD21 ASN 14 23.276 6.035 -10.930 118 HD22 ASN 14 HD22 ASN 14 21.803 5.242 -10.645 119 H THR 15 HN THR 15 20.200 6.733 -14.500 120 HA THR 15 HA THR 15 19.941 4.430 -16.265 121 HB THR 15 HB THR 15 18.556 4.641 -14.204 122 HG1 THR 15 HG1 THR 15 17.281 4.622 -16.728 123 HG21 THR 15 HG21 THR 15 16.703 6.256 -14.190 124 HG22 THR 15 HG22 THR 15 17.260 6.920 -15.725 125 HG23 THR 15 HG23 THR 15 18.252 7.093 -14.279 126 H ALA 16 HN ALA 16 18.763 4.433 -18.207 127 HA ALA 16 HA ALA 16 19.204 6.626 -19.913 128 HB1 ALA 16 HB1 ALA 16 17.056 4.624 -20.494 129 HB2 ALA 16 HB2 ALA 16 18.736 4.092 -20.416 130 HB3 ALA 16 HB3 ALA 16 18.255 5.328 -21.579 131 H THR 17 HN THR 17 16.689 6.045 -17.642 132 HA THR 17 HA THR 17 14.556 7.424 -18.878 133 HB THR 17 HB THR 17 15.181 7.092 -15.934 134 HG1 THR 17 HG1 THR 17 13.497 5.629 -17.683 135 HG21 THR 17 HG21 THR 17 12.663 7.391 -15.762 136 HG22 THR 17 HG22 THR 17 12.702 7.964 -17.429 137 HG23 THR 17 HG23 THR 17 13.570 8.846 -16.173 138 H CYS 18 HN CYS 18 17.235 8.518 -16.837 139 HA CYS 18 HA CYS 18 16.380 11.150 -16.392 140 HB2 CYS 18 HB2 CYS 18 18.287 10.156 -15.212 141 HB3 CYS 18 HB1 CYS 18 19.204 10.107 -16.717 142 H ALA 19 HN ALA 19 18.485 9.865 -18.974 143 HA ALA 19 HA ALA 19 18.768 12.333 -20.339 144 HB1 ALA 19 HB1 ALA 19 20.381 10.760 -20.929 145 HB2 ALA 19 HB2 ALA 19 19.292 10.703 -22.315 146 HB3 ALA 19 HB3 ALA 19 19.203 9.456 -21.071 147 H THR 20 HN THR 20 16.488 9.652 -20.663 148 HA THR 20 HA THR 20 15.198 10.215 -23.003 149 HB THR 20 HB THR 20 13.902 9.400 -20.395 150 HG1 THR 20 HG1 THR 20 14.370 7.363 -21.055 151 HG21 THR 20 HG21 THR 20 12.992 9.282 -23.277 152 HG22 THR 20 HG22 THR 20 12.184 10.073 -21.923 153 HG23 THR 20 HG23 THR 20 12.259 8.312 -21.999 154 H GLN 21 HN GLN 21 14.637 11.815 -19.871 155 HA GLN 21 HA GLN 21 12.589 13.525 -21.003 156 HB2 GLN 21 HB2 GLN 21 12.125 14.156 -18.853 157 HB3 GLN 21 HB1 GLN 21 12.939 12.630 -18.511 158 HG2 GLN 21 HG2 GLN 21 15.108 13.988 -18.391 159 HG3 GLN 21 HG1 GLN 21 14.085 15.422 -18.358 160 HE21 GLN 21 HE21 GLN 21 13.336 16.050 -16.323 161 HE22 GLN 21 HE22 GLN 21 13.344 15.059 -14.945 162 H ARG 22 HN ARG 22 16.021 13.680 -20.412 163 HA ARG 22 HA ARG 22 16.294 16.508 -20.472 164 HB2 ARG 22 HB2 ARG 22 18.025 14.905 -19.620 165 HB3 ARG 22 HB1 ARG 22 18.354 14.450 -21.292 166 HG2 ARG 22 HG2 ARG 22 19.957 16.123 -20.859 167 HG3 ARG 22 HG1 ARG 22 18.673 16.997 -21.696 168 HD2 ARG 22 HD2 ARG 22 19.395 18.247 -19.712 169 HD3 ARG 22 HD1 ARG 22 17.736 17.693 -19.515 170 HE ARG 22 HE ARG 22 18.448 16.320 -17.782 171 HH11 ARG 22 HH11 ARG 22 21.180 17.469 -19.620 172 HH12 ARG 22 HH12 ARG 22 22.344 16.854 -18.499 173 HH21 ARG 22 HH21 ARG 22 19.991 15.528 -16.334 174 HH22 ARG 22 HH22 ARG 22 21.678 15.762 -16.650 175 H LEU 23 HN LEU 23 16.564 14.015 -22.985 176 HA LEU 23 HA LEU 23 17.226 15.850 -25.067 177 HB2 LEU 23 HB2 LEU 23 16.843 13.996 -26.593 178 HB3 LEU 23 HB1 LEU 23 17.743 13.428 -25.188 179 HG LEU 23 HG LEU 23 15.159 13.059 -24.359 180 HD11 LEU 23 HD11 LEU 23 14.455 13.708 -26.727 181 HD12 LEU 23 HD12 LEU 23 13.860 12.149 -26.156 182 HD13 LEU 23 HD13 LEU 23 15.228 12.218 -27.266 183 HD21 LEU 23 HD21 LEU 23 15.583 10.642 -25.037 184 HD22 LEU 23 HD22 LEU 23 16.869 11.392 -24.092 185 HD23 LEU 23 HD23 LEU 23 17.049 11.210 -25.836 186 H ALA 24 HN ALA 24 14.201 14.634 -23.757 187 HA ALA 24 HA ALA 24 12.472 15.343 -25.840 188 HB1 ALA 24 HB1 ALA 24 11.926 15.443 -22.864 189 HB2 ALA 24 HB2 ALA 24 11.793 14.004 -23.876 190 HB3 ALA 24 HB3 ALA 24 10.712 15.373 -24.141 191 H ASN 25 HN ASN 25 13.620 17.266 -23.069 192 HA ASN 25 HA ASN 25 12.126 19.593 -23.688 193 HB2 ASN 25 HB2 ASN 25 14.665 19.175 -22.104 194 HB3 ASN 25 HB1 ASN 25 13.840 20.728 -22.221 195 HD21 ASN 25 HD21 ASN 25 11.254 20.357 -21.814 196 HD22 ASN 25 HD22 ASN 25 10.916 19.452 -20.418 197 H PHE 26 HN PHE 26 15.361 18.485 -24.576 198 HA PHE 26 HA PHE 26 16.245 20.858 -25.826 199 HB2 PHE 26 HB2 PHE 26 17.710 18.950 -25.158 200 HB3 PHE 26 HB1 PHE 26 17.042 18.017 -26.497 201 HD1 PHE 26 HD1 PHE 26 18.877 21.156 -25.665 202 HD2 PHE 26 HD2 PHE 26 17.832 18.315 -28.713 203 HE1 PHE 26 HE1 PHE 26 20.486 22.229 -27.216 204 HE2 PHE 26 HE2 PHE 26 19.442 19.388 -30.265 205 HZ PHE 26 HZ PHE 26 20.769 21.345 -29.516 206 H LEU 27 HN LEU 27 14.308 18.153 -26.967 207 HA LEU 27 HA LEU 27 14.463 18.536 -29.717 208 HB2 LEU 27 HB2 LEU 27 13.367 16.600 -28.727 209 HB3 LEU 27 HB1 LEU 27 12.137 17.621 -28.000 210 HG LEU 27 HG LEU 27 11.630 16.310 -30.220 211 HD11 LEU 27 HD11 LEU 27 10.836 19.214 -30.288 212 HD12 LEU 27 HD12 LEU 27 10.276 18.167 -28.984 213 HD13 LEU 27 HD13 LEU 27 9.875 17.784 -30.656 214 HD21 LEU 27 HD21 LEU 27 13.711 17.405 -31.310 215 HD22 LEU 27 HD22 LEU 27 12.698 18.839 -31.471 216 HD23 LEU 27 HD23 LEU 27 12.224 17.334 -32.254 217 H VAL 28 HN VAL 28 11.848 19.732 -27.586 218 HA VAL 28 HA VAL 28 10.704 21.444 -29.491 219 HB VAL 28 HB VAL 28 9.530 22.466 -27.586 220 HG11 VAL 28 HG11 VAL 28 8.943 20.169 -28.525 221 HG12 VAL 28 HG12 VAL 28 8.373 20.491 -26.887 222 HG13 VAL 28 HG13 VAL 28 9.799 19.485 -27.143 223 HG21 VAL 28 HG21 VAL 28 11.377 20.748 -25.898 224 HG22 VAL 28 HG22 VAL 28 10.064 21.762 -25.300 225 HG23 VAL 28 HG23 VAL 28 11.483 22.502 -26.040 226 H HIS 29 HN HIS 29 13.558 21.788 -27.613 227 HA HIS 29 HA HIS 29 13.580 24.697 -27.709 228 HB2 HIS 29 HB2 HIS 29 14.525 23.560 -25.757 229 HB3 HIS 29 HB1 HIS 29 15.684 22.725 -26.791 230 HD1 HIS 29 HD1 HIS 29 14.684 26.304 -25.922 231 HD2 HIS 29 HD2 HIS 29 18.025 24.148 -27.176 232 HE1 HIS 29 HE1 HIS 29 16.621 27.936 -25.949 233 HE2 HIS 29 HE2 HIS 29 18.665 26.637 -26.711 234 H SER 30 HN SER 30 14.892 21.990 -29.496 235 HA SER 30 HA SER 30 16.587 23.781 -31.111 236 HB2 SER 30 HB2 SER 30 16.651 20.937 -30.354 237 HB3 SER 30 HB1 SER 30 17.059 21.267 -32.035 238 HG SER 30 HG SER 30 18.769 22.402 -31.412 239 H SER 31 HN SER 31 13.509 23.342 -31.233 240 HA SER 31 HA SER 31 12.813 21.972 -33.550 241 HB2 SER 31 HB2 SER 31 11.133 22.898 -32.040 242 HB3 SER 31 HB1 SER 31 11.631 24.536 -32.454 243 HG SER 31 HG SER 31 10.016 22.794 -33.795 244 H ASN 32 HN ASN 32 13.677 25.406 -33.213 245 HA ASN 32 HA ASN 32 13.513 26.207 -35.855 246 HB2 ASN 32 HB2 ASN 32 15.466 27.770 -35.240 247 HB3 ASN 32 HB1 ASN 32 13.992 27.897 -34.281 248 HD21 ASN 32 HD21 ASN 32 17.359 27.510 -34.044 249 HD22 ASN 32 HD22 ASN 32 17.424 26.951 -32.442 250 H ASN 33 HN ASN 33 16.395 24.903 -34.223 251 HA ASN 33 HA ASN 33 18.091 24.782 -36.455 252 HB2 ASN 33 HB2 ASN 33 17.952 23.086 -33.961 253 HB3 ASN 33 HB1 ASN 33 19.240 22.946 -35.157 254 HD21 ASN 33 HD21 ASN 33 20.120 25.351 -35.772 255 HD22 ASN 33 HD22 ASN 33 20.472 26.313 -34.419 256 H PHE 34 HN PHE 34 15.782 22.364 -35.226 257 HA PHE 34 HA PHE 34 16.419 20.280 -36.974 258 HB2 PHE 34 HB2 PHE 34 14.938 20.024 -35.035 259 HB3 PHE 34 HB1 PHE 34 13.717 21.016 -35.834 260 HD1 PHE 34 HD1 PHE 34 15.856 18.007 -36.517 261 HD2 PHE 34 HD2 PHE 34 12.060 19.939 -37.072 262 HE1 PHE 34 HE1 PHE 34 15.011 16.004 -37.711 263 HE2 PHE 34 HE2 PHE 34 11.216 17.937 -38.267 264 HZ PHE 34 HZ PHE 34 12.691 15.970 -38.587 265 H GLY 35 HN GLY 35 13.924 22.811 -37.349 266 HA2 GLY 35 HA2 GLY 35 13.073 21.962 -39.910 267 HA3 GLY 35 HA1 GLY 35 12.777 23.548 -39.210 268 H ALA 36 HN ALA 36 15.373 24.472 -38.896 269 HA ALA 36 HA ALA 36 15.951 25.495 -41.453 270 HB1 ALA 36 HB1 ALA 36 17.629 26.708 -40.427 271 HB2 ALA 36 HB2 ALA 36 18.077 25.383 -39.353 272 HB3 ALA 36 HB3 ALA 36 16.616 26.320 -39.037 273 H ILE 37 HN ILE 37 17.420 22.847 -39.615 274 HA ILE 37 HA ILE 37 19.506 22.338 -41.498 275 HB ILE 37 HB ILE 37 18.299 20.669 -39.288 276 HG12 ILE 37 HG12 ILE 37 21.037 21.944 -39.524 277 HG13 ILE 37 HG11 ILE 37 19.666 22.761 -38.774 278 HG21 ILE 37 HG21 ILE 37 20.397 19.267 -39.636 279 HG22 ILE 37 HG22 ILE 37 20.584 20.086 -41.186 280 HG23 ILE 37 HG23 ILE 37 19.158 19.094 -40.879 281 HD11 ILE 37 HD11 ILE 37 20.909 20.137 -37.907 282 HD12 ILE 37 HD12 ILE 37 19.418 20.793 -37.231 283 HD13 ILE 37 HD13 ILE 37 20.938 21.665 -37.026 284 H LEU 38 HN LEU 38 16.316 20.844 -40.939 285 HA LEU 38 HA LEU 38 16.578 18.869 -42.945 286 HB2 LEU 38 HB2 LEU 38 14.877 18.765 -41.157 287 HB3 LEU 38 HB1 LEU 38 14.060 20.159 -41.861 288 HG LEU 38 HG LEU 38 13.774 18.863 -43.983 289 HD11 LEU 38 HD11 LEU 38 15.559 17.275 -43.862 290 HD12 LEU 38 HD12 LEU 38 14.072 16.339 -43.718 291 HD13 LEU 38 HD13 LEU 38 15.030 16.698 -42.281 292 HD21 LEU 38 HD21 LEU 38 12.059 18.944 -42.103 293 HD22 LEU 38 HD22 LEU 38 12.667 17.370 -41.592 294 HD23 LEU 38 HD23 LEU 38 11.925 17.555 -43.182 295 H SER 39 HN SER 39 15.369 22.180 -42.986 296 HA SER 39 HA SER 39 14.191 22.248 -45.504 297 HB2 SER 39 HB2 SER 39 15.697 24.377 -43.982 298 HB3 SER 39 HB1 SER 39 14.838 24.695 -45.486 299 HG SER 39 HG SER 39 13.653 23.455 -43.226 300 H SER 40 HN SER 40 17.588 22.427 -44.590 301 HA SER 40 HA SER 40 18.418 22.938 -47.340 302 HB2 SER 40 HB2 SER 40 19.995 22.552 -44.790 303 HB3 SER 40 HB1 SER 40 20.713 22.893 -46.361 304 HG SER 40 HG SER 40 18.859 24.492 -44.919 305 H THR 41 HN THR 41 17.098 20.350 -46.357 306 HA THR 41 HA THR 41 18.919 18.238 -46.324 307 HB THR 41 HB THR 41 16.575 17.890 -45.798 308 HG1 THR 41 HG1 THR 41 17.770 16.150 -46.709 309 HG21 THR 41 HG21 THR 41 14.859 17.975 -47.561 310 HG22 THR 41 HG22 THR 41 16.077 18.493 -48.727 311 HG23 THR 41 HG23 THR 41 15.644 19.543 -47.378 312 H ASN 42 HN ASN 42 17.952 20.287 -48.935 313 HA ASN 42 HA ASN 42 18.374 18.643 -51.151 314 HB2 ASN 42 HB2 ASN 42 18.752 20.693 -52.405 315 HB3 ASN 42 HB1 ASN 42 17.438 20.935 -51.256 316 HD21 ASN 42 HD21 ASN 42 18.914 23.161 -52.254 317 HD22 ASN 42 HD22 ASN 42 19.824 23.819 -50.981 318 H VAL 43 HN VAL 43 20.637 19.808 -48.841 319 HA VAL 43 HA VAL 43 22.989 20.050 -50.294 320 HB VAL 43 HB VAL 43 22.691 20.493 -47.836 321 HG11 VAL 43 HG11 VAL 43 23.167 17.516 -47.559 322 HG12 VAL 43 HG12 VAL 43 21.565 18.244 -47.440 323 HG13 VAL 43 HG13 VAL 43 22.818 18.675 -46.276 324 HG21 VAL 43 HG21 VAL 43 24.991 18.619 -48.453 325 HG22 VAL 43 HG22 VAL 43 24.975 19.950 -47.297 326 HG23 VAL 43 HG23 VAL 43 24.925 20.285 -49.027 327 H GLY 44 HN GLY 44 21.115 17.217 -49.620 328 HA2 GLY 44 HA2 GLY 44 21.968 15.494 -51.439 329 HA3 GLY 44 HA1 GLY 44 23.309 15.405 -50.303 330 H SER 45 HN SER 45 21.079 16.009 -48.170 331 HA SER 45 HA SER 45 20.521 13.182 -47.668 332 HB2 SER 45 HB2 SER 45 19.838 13.960 -45.430 333 HB3 SER 45 HB1 SER 45 21.459 14.516 -45.838 334 HG SER 45 HG SER 45 20.753 16.513 -45.920 335 H ASN 46 HN ASN 46 19.102 14.575 -49.800 336 HA ASN 46 HA ASN 46 16.390 14.900 -48.741 337 HB2 ASN 46 HB2 ASN 46 15.825 15.744 -50.938 338 HB3 ASN 46 HB1 ASN 46 17.304 16.532 -50.390 339 HD21 ASN 46 HD21 ASN 46 16.862 16.504 -53.131 340 HD22 ASN 46 HD22 ASN 46 17.909 15.399 -53.882 341 H THR 47 HN THR 47 17.869 12.265 -48.961 342 HA THR 47 HA THR 47 16.256 10.839 -50.944 343 HB THR 47 HB THR 47 18.016 9.307 -49.134 344 HG1 THR 47 HG1 THR 47 19.020 11.200 -50.992 345 HG21 THR 47 HG21 THR 47 17.060 8.197 -51.023 346 HG22 THR 47 HG22 THR 47 18.760 8.456 -51.417 347 HG23 THR 47 HG23 THR 47 17.523 9.506 -52.110 348 H TYR 48 HN TYR 48 15.058 12.067 -48.530 349 HA TYR 48 HA TYR 48 14.004 9.613 -47.257 350 HB2 TYR 48 HB2 TYR 48 13.676 10.829 -45.232 351 HB3 TYR 48 HB1 TYR 48 15.312 11.205 -45.772 352 HD1 TYR 48 HD1 TYR 48 12.126 12.559 -44.847 353 HD2 TYR 48 HD2 TYR 48 15.628 13.337 -47.210 354 HE1 TYR 48 HE1 TYR 48 11.557 14.972 -44.895 355 HE2 TYR 48 HE2 TYR 48 15.058 15.750 -47.259 356 HH TYR 48 HH TYR 48 13.150 17.193 -46.987 357 H GLY 49 HN GLY 49 13.135 11.114 -49.723 358 HA2 GLY 49 HA2 GLY 49 10.878 12.656 -49.422 359 HA3 GLY 49 HA1 GLY 49 11.099 11.505 -50.736 360 H LYS 50 HN LYS 50 9.345 12.254 -47.928 361 HA LYS 50 HA LYS 50 8.455 9.639 -47.207 362 HB2 LYS 50 HB2 LYS 50 7.317 12.390 -46.681 363 HB3 LYS 50 HB1 LYS 50 6.646 10.908 -46.000 364 HG2 LYS 50 HG2 LYS 50 8.924 10.407 -45.044 365 HG3 LYS 50 HG1 LYS 50 9.436 12.010 -45.574 366 HD2 LYS 50 HD2 LYS 50 7.047 11.542 -43.773 367 HD3 LYS 50 HD1 LYS 50 8.665 11.893 -43.165 368 HE2 LYS 50 HE2 LYS 50 7.060 13.663 -45.034 369 HE3 LYS 50 HE1 LYS 50 7.329 13.957 -43.317 370 HZ1 LYS 50 HZ1 LYS 50 9.798 13.774 -43.953 371 HZ2 LYS 50 HZ2 LYS 50 8.966 15.209 -44.321 372 HZ3 LYS 50 HZ3 LYS 50 9.263 14.060 -45.537 373 H ARG 51 HN ARG 51 7.532 11.930 -49.645 374 HA ARG 51 HA ARG 51 4.883 11.097 -50.116 375 HB2 ARG 51 HB2 ARG 51 5.065 12.217 -52.228 376 HB3 ARG 51 HB1 ARG 51 5.997 13.154 -51.060 377 HG2 ARG 51 HG2 ARG 51 8.057 11.927 -51.823 378 HG3 ARG 51 HG1 ARG 51 7.084 11.189 -53.095 379 HD2 ARG 51 HD2 ARG 51 6.497 13.451 -53.929 380 HD3 ARG 51 HD1 ARG 51 7.530 14.160 -52.692 381 HE ARG 51 HE ARG 51 8.391 12.881 -55.141 382 HH11 ARG 51 HH11 ARG 51 9.258 13.783 -51.885 383 HH12 ARG 51 HH12 ARG 51 10.955 13.800 -52.216 384 HH21 ARG 51 HH21 ARG 51 10.613 12.917 -55.545 385 HH22 ARG 51 HH22 ARG 51 11.720 13.313 -54.273 386 H ASN 52 HN ASN 52 7.876 9.514 -50.714 387 HA ASN 52 HA ASN 52 7.116 7.927 -52.946 388 HB2 ASN 52 HB2 ASN 52 9.462 8.227 -52.279 389 HB3 ASN 52 HB1 ASN 52 9.147 7.364 -50.774 390 HD21 ASN 52 HD21 ASN 52 9.544 5.150 -50.849 391 HD22 ASN 52 HD22 ASN 52 9.605 4.223 -52.270 392 H ALA 53 HN ALA 53 6.459 7.752 -49.544 393 HA ALA 53 HA ALA 53 5.938 5.042 -49.184 394 HB1 ALA 53 HB1 ALA 53 4.863 7.547 -47.943 395 HB2 ALA 53 HB2 ALA 53 5.842 6.271 -47.220 396 HB3 ALA 53 HB3 ALA 53 4.129 5.996 -47.537 397 H VAL 54 HN VAL 54 3.897 7.578 -50.567 398 HA VAL 54 HA VAL 54 1.614 5.840 -50.851 399 HB VAL 54 HB VAL 54 1.772 8.491 -50.706 400 HG11 VAL 54 HG11 VAL 54 1.558 8.046 -53.692 401 HG12 VAL 54 HG12 VAL 54 3.063 8.525 -52.907 402 HG13 VAL 54 HG13 VAL 54 1.654 9.581 -52.829 403 HG21 VAL 54 HG21 VAL 54 -0.491 8.565 -51.512 404 HG22 VAL 54 HG22 VAL 54 -0.264 6.972 -50.791 405 HG23 VAL 54 HG23 VAL 54 -0.233 7.159 -52.545 406 H GLU 55 HN GLU 55 4.345 6.794 -52.828 407 HA GLU 55 HA GLU 55 3.354 5.960 -55.340 408 HB2 GLU 55 HB2 GLU 55 5.419 7.356 -54.921 409 HB3 GLU 55 HB1 GLU 55 6.238 5.871 -54.438 410 HG2 GLU 55 HG2 GLU 55 4.781 5.997 -57.066 411 HG3 GLU 55 HG1 GLU 55 6.404 6.667 -56.929 412 H VAL 56 HN VAL 56 5.334 4.235 -52.920 413 HA VAL 56 HA VAL 56 5.425 1.806 -54.398 414 HB VAL 56 HB VAL 56 7.067 2.310 -52.649 415 HG11 VAL 56 HG11 VAL 56 4.816 1.871 -50.670 416 HG12 VAL 56 HG12 VAL 56 5.402 3.467 -51.136 417 HG13 VAL 56 HG13 VAL 56 6.477 2.339 -50.314 418 HG21 VAL 56 HG21 VAL 56 7.072 0.118 -51.580 419 HG22 VAL 56 HG22 VAL 56 6.509 -0.056 -53.243 420 HG23 VAL 56 HG23 VAL 56 5.351 -0.082 -51.913 421 H LEU 57 HN LEU 57 3.285 3.033 -51.858 422 HA LEU 57 HA LEU 57 1.834 0.795 -51.194 423 HB2 LEU 57 HB2 LEU 57 1.446 3.646 -51.065 424 HB3 LEU 57 HB1 LEU 57 -0.070 2.851 -51.491 425 HG LEU 57 HG LEU 57 0.550 1.187 -49.576 426 HD11 LEU 57 HD11 LEU 57 2.868 2.232 -49.368 427 HD12 LEU 57 HD12 LEU 57 1.976 2.048 -47.857 428 HD13 LEU 57 HD13 LEU 57 2.074 3.627 -48.637 429 HD21 LEU 57 HD21 LEU 57 -1.349 2.768 -49.519 430 HD22 LEU 57 HD22 LEU 57 -0.265 4.051 -48.982 431 HD23 LEU 57 HD23 LEU 57 -0.571 2.661 -47.940 432 H LYS 58 HN LYS 58 1.012 3.049 -53.851 433 HA LYS 58 HA LYS 58 -1.101 1.485 -54.857 434 HB2 LYS 58 HB2 LYS 58 0.638 3.593 -56.144 435 HB3 LYS 58 HB1 LYS 58 -0.721 2.838 -56.977 436 HG2 LYS 58 HG2 LYS 58 -1.027 4.123 -54.258 437 HG3 LYS 58 HG1 LYS 58 -1.212 5.041 -55.753 438 HD2 LYS 58 HD2 LYS 58 -2.911 3.308 -56.488 439 HD3 LYS 58 HD1 LYS 58 -2.840 2.652 -54.852 440 HE2 LYS 58 HE2 LYS 58 -3.466 5.553 -55.452 441 HE3 LYS 58 HE1 LYS 58 -4.705 4.317 -55.230 442 HZ1 LYS 58 HZ1 LYS 58 -2.611 4.569 -53.198 443 HZ2 LYS 58 HZ2 LYS 58 -4.235 4.098 -53.029 444 HZ3 LYS 58 HZ3 LYS 58 -3.839 5.738 -53.228 445 H ARG 59 HN ARG 59 2.352 1.438 -55.408 446 HA ARG 59 HA ARG 59 2.361 -0.187 -57.738 447 HB2 ARG 59 HB2 ARG 59 4.277 1.221 -56.732 448 HB3 ARG 59 HB1 ARG 59 4.561 -0.168 -55.684 449 HG2 ARG 59 HG2 ARG 59 4.209 -0.853 -58.530 450 HG3 ARG 59 HG1 ARG 59 5.638 0.124 -58.189 451 HD2 ARG 59 HD2 ARG 59 6.326 -1.484 -56.450 452 HD3 ARG 59 HD1 ARG 59 4.899 -2.460 -56.785 453 HE ARG 59 HE ARG 59 6.173 -2.218 -59.214 454 HH11 ARG 59 HH11 ARG 59 7.039 -3.347 -56.030 455 HH12 ARG 59 HH12 ARG 59 8.180 -4.504 -56.621 456 HH21 ARG 59 HH21 ARG 59 7.670 -3.738 -59.958 457 HH22 ARG 59 HH22 ARG 59 8.537 -4.727 -58.831 458 H GLU 60 HN GLU 60 2.108 -0.868 -54.322 459 HA GLU 60 HA GLU 60 2.008 -3.759 -54.950 460 HB2 GLU 60 HB2 GLU 60 3.026 -2.408 -52.440 461 HB3 GLU 60 HB1 GLU 60 2.822 -4.149 -52.634 462 HG2 GLU 60 HG2 GLU 60 4.565 -2.416 -54.409 463 HG3 GLU 60 HG1 GLU 60 5.163 -3.398 -53.073 464 HA PRO 61 HA PRO 61 -2.077 -2.345 -53.211 465 HB2 PRO 61 HB2 PRO 61 -3.584 -3.801 -54.984 466 HB3 PRO 61 HB1 PRO 61 -3.039 -2.141 -55.284 467 HG2 PRO 61 HG2 PRO 61 -1.928 -4.710 -56.289 468 HG3 PRO 61 HG1 PRO 61 -2.105 -3.153 -57.116 469 HD2 PRO 61 HD2 PRO 61 0.279 -4.028 -56.106 470 HD3 PRO 61 HD1 PRO 61 -0.142 -2.306 -56.233 471 H LEU 62 HN LEU 62 -0.423 -5.303 -53.636 472 HA LEU 62 HA LEU 62 -2.288 -7.193 -52.740 473 HB2 LEU 62 HB2 LEU 62 -0.009 -7.680 -53.697 474 HB3 LEU 62 HB1 LEU 62 0.677 -7.208 -52.142 475 HG LEU 62 HG LEU 62 -1.549 -9.129 -51.947 476 HD11 LEU 62 HD11 LEU 62 -0.582 -10.057 -53.951 477 HD12 LEU 62 HD12 LEU 62 -0.023 -11.041 -52.598 478 HD13 LEU 62 HD13 LEU 62 1.052 -9.847 -53.324 479 HD21 LEU 62 HD21 LEU 62 0.194 -10.219 -50.440 480 HD22 LEU 62 HD22 LEU 62 -0.274 -8.580 -49.986 481 HD23 LEU 62 HD23 LEU 62 1.252 -8.861 -50.825 482 H ASN 63 HN ASN 63 -0.071 -5.093 -50.930 483 HA ASN 63 HA ASN 63 -0.440 -6.086 -48.370 484 HB2 ASN 63 HB2 ASN 63 0.278 -3.958 -47.559 485 HB3 ASN 63 HB1 ASN 63 1.118 -4.223 -49.086 486 HD21 ASN 63 HD21 ASN 63 0.087 -1.670 -47.603 487 HD22 ASN 63 HD22 ASN 63 -0.732 -0.825 -48.826 488 H TYR 64 HN TYR 64 -2.581 -4.128 -50.329 489 HA TYR 64 HA TYR 64 -4.397 -3.529 -48.155 490 HB2 TYR 64 HB2 TYR 64 -4.177 -1.962 -50.017 491 HB3 TYR 64 HB1 TYR 64 -4.695 -3.209 -51.151 492 HD1 TYR 64 HD1 TYR 64 -5.786 -1.291 -48.138 493 HD2 TYR 64 HD2 TYR 64 -6.990 -3.614 -51.545 494 HE1 TYR 64 HE1 TYR 64 -8.156 -0.713 -47.694 495 HE2 TYR 64 HE2 TYR 64 -9.360 -3.036 -51.101 496 HH TYR 64 HH TYR 64 -10.504 -1.977 -48.326 497 H LEU 65 HN LEU 65 -4.446 -5.643 -51.021 498 HA LEU 65 HA LEU 65 -6.983 -6.784 -50.452 499 HB2 LEU 65 HB2 LEU 65 -4.675 -7.777 -52.139 500 HB3 LEU 65 HB1 LEU 65 -6.269 -8.529 -52.104 501 HG LEU 65 HG LEU 65 -5.832 -5.607 -52.768 502 HD11 LEU 65 HD11 LEU 65 -6.004 -6.202 -55.102 503 HD12 LEU 65 HD12 LEU 65 -6.309 -7.892 -54.701 504 HD13 LEU 65 HD13 LEU 65 -4.722 -7.187 -54.398 505 HD21 LEU 65 HD21 LEU 65 -8.135 -5.996 -53.822 506 HD22 LEU 65 HD22 LEU 65 -8.082 -6.014 -52.060 507 HD23 LEU 65 HD23 LEU 65 -8.164 -7.532 -52.955 508 HA PRO 66 HA PRO 66 -6.281 -9.801 -47.327 509 HB2 PRO 66 HB2 PRO 66 -7.216 -11.918 -49.210 510 HB3 PRO 66 HB1 PRO 66 -7.805 -11.510 -47.587 511 HG2 PRO 66 HG2 PRO 66 -9.179 -10.853 -49.767 512 HG3 PRO 66 HG1 PRO 66 -9.122 -9.792 -48.349 513 HD2 PRO 66 HD2 PRO 66 -7.735 -9.496 -50.979 514 HD3 PRO 66 HD1 PRO 66 -8.350 -8.244 -49.877 515 H LEU 67 HN LEU 67 -4.624 -11.104 -46.637 516 HA LEU 67 HA LEU 67 -2.550 -11.754 -48.596 517 HB2 LEU 67 HB2 LEU 67 -2.588 -11.783 -45.571 518 HB3 LEU 67 HB1 LEU 67 -1.199 -12.275 -46.542 519 HG LEU 67 HG LEU 67 -2.530 -9.571 -46.831 520 HD11 LEU 67 HD11 LEU 67 -0.032 -10.258 -45.254 521 HD12 LEU 67 HD12 LEU 67 -1.603 -9.925 -44.526 522 HD13 LEU 67 HD13 LEU 67 -0.765 -8.663 -45.428 523 HD21 LEU 67 HD21 LEU 67 -1.232 -10.133 -48.763 524 HD22 LEU 67 HD22 LEU 67 0.064 -10.814 -47.780 525 HD23 LEU 67 HD23 LEU 67 -0.209 -9.072 -47.796 Start of MODEL 2 1 H1 THR 1 HT1 THR 1 -3.323 -4.054 -0.919 2 H2 THR 1 HT2 THR 1 -3.806 -3.889 0.702 3 H3 THR 1 HT3 THR 1 -3.658 -5.434 0.009 4 HA THR 1 HA THR 1 -1.654 -5.477 0.944 5 HB THR 1 HB THR 1 -1.550 -4.448 -1.666 6 HG1 THR 1 HG1 THR 1 0.248 -5.630 -1.706 7 HG21 THR 1 HG21 THR 1 0.372 -2.961 -1.682 8 HG22 THR 1 HG22 THR 1 0.505 -3.050 0.072 9 HG23 THR 1 HG23 THR 1 -0.885 -2.252 -0.670 10 HA PRO 2 HA PRO 2 -1.010 -2.248 3.875 11 HB2 PRO 2 HB2 PRO 2 1.691 -2.365 4.329 12 HB3 PRO 2 HB1 PRO 2 0.541 -3.569 4.943 13 HG2 PRO 2 HG2 PRO 2 2.351 -3.709 2.587 14 HG3 PRO 2 HG1 PRO 2 1.913 -4.968 3.753 15 HD2 PRO 2 HD2 PRO 2 0.812 -4.806 1.251 16 HD3 PRO 2 HD1 PRO 2 -0.043 -5.505 2.643 17 H ILE 3 HN ILE 3 -0.234 -0.094 4.169 18 HA ILE 3 HA ILE 3 -0.058 1.508 1.928 19 HB ILE 3 HB ILE 3 -0.485 2.302 4.259 20 HG12 ILE 3 HG12 ILE 3 0.907 4.414 3.996 21 HG13 ILE 3 HG11 ILE 3 1.683 3.637 2.616 22 HG21 ILE 3 HG21 ILE 3 1.459 0.996 5.232 23 HG22 ILE 3 HG22 ILE 3 1.355 2.673 5.766 24 HG23 ILE 3 HG23 ILE 3 2.530 2.211 4.535 25 HD11 ILE 3 HD11 ILE 3 -1.322 3.907 2.834 26 HD12 ILE 3 HD12 ILE 3 -0.368 3.515 1.403 27 HD13 ILE 3 HD13 ILE 3 -0.316 5.143 2.078 28 H GLU 4 HN GLU 4 1.494 2.090 0.532 29 HA GLU 4 HA GLU 4 3.963 0.659 0.469 30 HB2 GLU 4 HB2 GLU 4 4.433 1.941 -1.533 31 HB3 GLU 4 HB1 GLU 4 2.738 1.453 -1.558 32 HG2 GLU 4 HG2 GLU 4 2.134 3.682 -0.593 33 HG3 GLU 4 HG1 GLU 4 3.823 4.162 -0.742 34 H SER 5 HN SER 5 6.089 1.507 0.621 35 HA SER 5 HA SER 5 6.463 3.337 2.783 36 HB2 SER 5 HB2 SER 5 8.819 2.964 2.449 37 HB3 SER 5 HB1 SER 5 7.993 1.424 2.230 38 HG SER 5 HG SER 5 8.335 1.529 0.103 39 H HIS 6 HN HIS 6 8.006 5.223 2.566 40 HA HIS 6 HA HIS 6 7.035 6.946 0.417 41 HB2 HIS 6 HB2 HIS 6 8.095 8.758 1.709 42 HB3 HIS 6 HB1 HIS 6 6.999 7.808 2.712 43 HD1 HIS 6 HD1 HIS 6 10.691 8.282 2.016 44 HD2 HIS 6 HD2 HIS 6 8.229 6.469 4.850 45 HE1 HIS 6 HE1 HIS 6 12.201 7.549 3.912 46 HE2 HIS 6 HE2 HIS 6 10.715 6.442 5.648 47 H GLN 7 HN GLN 7 9.100 4.743 0.060 48 HA GLN 7 HA GLN 7 11.627 5.942 -0.412 49 HB2 GLN 7 HB2 GLN 7 11.302 3.503 -0.167 50 HB3 GLN 7 HB1 GLN 7 10.421 3.479 -1.695 51 HG2 GLN 7 HG2 GLN 7 12.418 4.369 -2.853 52 HG3 GLN 7 HG1 GLN 7 13.300 4.355 -1.326 53 HE21 GLN 7 HE21 GLN 7 14.624 2.549 -1.175 54 HE22 GLN 7 HE22 GLN 7 14.256 1.014 -1.798 55 H VAL 8 HN VAL 8 12.520 6.823 -2.237 56 HA VAL 8 HA VAL 8 10.723 7.198 -4.556 57 HB VAL 8 HB VAL 8 10.860 9.279 -3.252 58 HG11 VAL 8 HG11 VAL 8 13.143 8.727 -2.295 59 HG12 VAL 8 HG12 VAL 8 12.960 10.387 -2.860 60 HG13 VAL 8 HG13 VAL 8 13.829 9.211 -3.846 61 HG21 VAL 8 HG21 VAL 8 10.711 9.382 -5.725 62 HG22 VAL 8 HG22 VAL 8 12.472 9.372 -5.824 63 HG23 VAL 8 HG23 VAL 8 11.638 10.737 -5.081 64 H GLU 9 HN GLU 9 11.633 6.978 -6.554 65 HA GLU 9 HA GLU 9 14.544 6.704 -6.771 66 HB2 GLU 9 HB2 GLU 9 13.898 4.632 -8.326 67 HB3 GLU 9 HB1 GLU 9 14.220 4.439 -6.604 68 HG2 GLU 9 HG2 GLU 9 12.119 3.299 -7.342 69 HG3 GLU 9 HG1 GLU 9 11.843 4.513 -6.096 70 H LYS 10 HN LYS 10 13.828 8.869 -7.740 71 HA LYS 10 HA LYS 10 12.390 9.047 -10.138 72 HB2 LYS 10 HB2 LYS 10 13.528 11.185 -10.464 73 HB3 LYS 10 HB1 LYS 10 13.062 11.000 -8.773 74 HG2 LYS 10 HG2 LYS 10 15.348 10.221 -8.234 75 HG3 LYS 10 HG1 LYS 10 15.813 10.441 -9.921 76 HD2 LYS 10 HD2 LYS 10 15.276 12.843 -9.762 77 HD3 LYS 10 HD1 LYS 10 14.810 12.628 -8.075 78 HE2 LYS 10 HE2 LYS 10 17.094 11.867 -7.536 79 HE3 LYS 10 HE1 LYS 10 17.564 12.080 -9.222 80 HZ1 LYS 10 HZ1 LYS 10 16.599 14.212 -7.395 81 HZ2 LYS 10 HZ2 LYS 10 16.994 14.430 -9.032 82 HZ3 LYS 10 HZ3 LYS 10 18.198 13.993 -7.915 83 H ARG 11 HN ARG 11 13.113 9.258 -12.315 84 HA ARG 11 HA ARG 11 15.800 8.283 -12.931 85 HB2 ARG 11 HB2 ARG 11 14.652 6.744 -14.706 86 HB3 ARG 11 HB1 ARG 11 14.812 6.184 -13.045 87 HG2 ARG 11 HG2 ARG 11 12.559 5.710 -13.786 88 HG3 ARG 11 HG1 ARG 11 12.466 7.015 -12.611 89 HD2 ARG 11 HD2 ARG 11 12.823 7.866 -15.425 90 HD3 ARG 11 HD1 ARG 11 11.285 7.091 -15.062 91 HE ARG 11 HE ARG 11 12.064 9.713 -14.280 92 HH11 ARG 11 HH11 ARG 11 10.371 6.879 -13.154 93 HH12 ARG 11 HH12 ARG 11 9.347 7.772 -12.084 94 HH21 ARG 11 HH21 ARG 11 10.716 10.852 -12.871 95 HH22 ARG 11 HH22 ARG 11 9.539 10.006 -11.923 96 H LYS 12 HN LYS 12 16.069 8.260 -15.430 97 HA LYS 12 HA LYS 12 15.515 10.913 -16.343 98 HB2 LYS 12 HB2 LYS 12 16.671 10.218 -18.390 99 HB3 LYS 12 HB1 LYS 12 17.572 9.697 -16.966 100 HG2 LYS 12 HG2 LYS 12 16.546 7.449 -17.152 101 HG3 LYS 12 HG1 LYS 12 15.686 7.973 -18.601 102 HD2 LYS 12 HD2 LYS 12 17.801 8.385 -19.752 103 HD3 LYS 12 HD1 LYS 12 18.703 7.973 -18.294 104 HE2 LYS 12 HE2 LYS 12 18.666 6.050 -19.808 105 HE3 LYS 12 HE1 LYS 12 17.722 5.688 -18.363 106 HZ1 LYS 12 HZ1 LYS 12 16.636 5.080 -20.505 107 HZ2 LYS 12 HZ2 LYS 12 16.535 6.736 -20.870 108 HZ3 LYS 12 HZ3 LYS 12 15.716 6.110 -19.520 109 H CYS 13 HN CYS 13 14.104 11.622 -17.900 110 HA CYS 13 HA CYS 13 11.602 10.448 -18.143 111 HB2 CYS 13 HB2 CYS 13 13.004 12.697 -19.312 112 HB3 CYS 13 HB1 CYS 13 11.949 11.925 -20.496 113 H ASN 14 HN ASN 14 11.627 8.288 -18.710 114 HA ASN 14 HA ASN 14 12.615 7.664 -21.428 115 HB2 ASN 14 HB2 ASN 14 12.720 5.299 -20.637 116 HB3 ASN 14 HB1 ASN 14 13.805 6.377 -19.762 117 HD21 ASN 14 HD21 ASN 14 13.504 6.578 -17.504 118 HD22 ASN 14 HD22 ASN 14 12.239 5.830 -16.655 119 H THR 15 HN THR 15 9.963 7.152 -19.122 120 HA THR 15 HA THR 15 8.313 5.510 -20.614 121 HB THR 15 HB THR 15 7.887 6.267 -18.270 122 HG1 THR 15 HG1 THR 15 5.647 6.316 -18.565 123 HG21 THR 15 HG21 THR 15 7.063 8.400 -17.769 124 HG22 THR 15 HG22 THR 15 6.587 8.713 -19.435 125 HG23 THR 15 HG23 THR 15 8.290 8.757 -18.983 126 H ALA 16 HN ALA 16 6.722 5.822 -22.152 127 HA ALA 16 HA ALA 16 7.209 7.797 -24.117 128 HB1 ALA 16 HB1 ALA 16 5.023 5.784 -23.672 129 HB2 ALA 16 HB2 ALA 16 6.264 5.814 -24.925 130 HB3 ALA 16 HB3 ALA 16 4.920 6.954 -24.988 131 H THR 17 HN THR 17 5.376 7.915 -21.220 132 HA THR 17 HA THR 17 3.389 9.791 -22.017 133 HB THR 17 HB THR 17 4.565 9.259 -19.277 134 HG1 THR 17 HG1 THR 17 2.319 8.235 -20.669 135 HG21 THR 17 HG21 THR 17 2.313 10.186 -18.557 136 HG22 THR 17 HG22 THR 17 2.103 10.744 -20.216 137 HG23 THR 17 HG23 THR 17 3.429 11.370 -19.237 138 H CYS 18 HN CYS 18 6.673 10.087 -20.770 139 HA CYS 18 HA CYS 18 6.679 12.835 -20.196 140 HB2 CYS 18 HB2 CYS 18 8.469 11.214 -19.554 141 HB3 CYS 18 HB1 CYS 18 8.993 11.186 -21.237 142 H ALA 19 HN ALA 19 7.583 11.110 -23.182 143 HA ALA 19 HA ALA 19 8.165 13.479 -24.653 144 HB1 ALA 19 HB1 ALA 19 9.126 11.414 -25.404 145 HB2 ALA 19 HB2 ALA 19 7.984 11.932 -26.644 146 HB3 ALA 19 HB3 ALA 19 7.540 10.650 -25.517 147 H THR 20 HN THR 20 5.269 11.561 -24.145 148 HA THR 20 HA THR 20 3.683 12.634 -26.208 149 HB THR 20 HB THR 20 2.851 11.577 -23.497 150 HG1 THR 20 HG1 THR 20 3.263 9.732 -24.367 151 HG21 THR 20 HG21 THR 20 1.284 12.105 -26.035 152 HG22 THR 20 HG22 THR 20 1.052 12.882 -24.469 153 HG23 THR 20 HG23 THR 20 0.672 11.171 -24.670 154 H GLN 21 HN GLN 21 4.022 13.649 -22.799 155 HA GLN 21 HA GLN 21 2.209 15.846 -23.101 156 HB2 GLN 21 HB2 GLN 21 2.524 16.228 -20.852 157 HB3 GLN 21 HB1 GLN 21 2.991 14.530 -20.948 158 HG2 GLN 21 HG2 GLN 21 5.382 15.362 -21.327 159 HG3 GLN 21 HG1 GLN 21 4.798 16.950 -20.833 160 HE21 GLN 21 HE21 GLN 21 6.466 16.477 -19.002 161 HE22 GLN 21 HE22 GLN 21 5.882 15.647 -17.641 162 H ARG 22 HN ARG 22 5.691 15.464 -23.432 163 HA ARG 22 HA ARG 22 6.159 18.324 -23.490 164 HB2 ARG 22 HB2 ARG 22 8.410 17.836 -23.544 165 HB3 ARG 22 HB1 ARG 22 7.787 16.391 -22.759 166 HG2 ARG 22 HG2 ARG 22 9.075 15.380 -24.369 167 HG3 ARG 22 HG1 ARG 22 7.597 15.560 -25.302 168 HD2 ARG 22 HD2 ARG 22 8.713 16.825 -26.789 169 HD3 ARG 22 HD1 ARG 22 9.023 18.010 -25.526 170 HE ARG 22 HE ARG 22 11.188 17.186 -25.348 171 HH11 ARG 22 HH11 ARG 22 9.192 14.972 -27.159 172 HH12 ARG 22 HH12 ARG 22 10.523 13.979 -27.639 173 HH21 ARG 22 HH21 ARG 22 12.909 15.871 -25.994 174 HH22 ARG 22 HH22 ARG 22 12.614 14.482 -26.985 175 H LEU 23 HN LEU 23 5.405 15.822 -25.761 176 HA LEU 23 HA LEU 23 6.333 17.220 -28.091 177 HB2 LEU 23 HB2 LEU 23 6.097 14.772 -28.078 178 HB3 LEU 23 HB1 LEU 23 4.360 14.936 -27.826 179 HG LEU 23 HG LEU 23 4.199 16.186 -29.979 180 HD11 LEU 23 HD11 LEU 23 6.398 17.117 -30.192 181 HD12 LEU 23 HD12 LEU 23 6.227 15.955 -31.507 182 HD13 LEU 23 HD13 LEU 23 7.152 15.528 -30.068 183 HD21 LEU 23 HD21 LEU 23 4.383 14.246 -31.389 184 HD22 LEU 23 HD22 LEU 23 3.935 13.667 -29.785 185 HD23 LEU 23 HD23 LEU 23 5.603 13.526 -30.338 186 H ALA 24 HN ALA 24 3.230 16.838 -26.435 187 HA ALA 24 HA ALA 24 1.581 18.087 -28.317 188 HB1 ALA 24 HB1 ALA 24 1.281 18.256 -25.313 189 HB2 ALA 24 HB2 ALA 24 0.825 16.845 -26.268 190 HB3 ALA 24 HB3 ALA 24 0.004 18.385 -26.523 191 H ASN 25 HN ASN 25 3.278 19.521 -25.512 192 HA ASN 25 HA ASN 25 2.427 22.167 -25.991 193 HB2 ASN 25 HB2 ASN 25 4.807 21.025 -24.528 194 HB3 ASN 25 HB1 ASN 25 4.461 22.753 -24.583 195 HD21 ASN 25 HD21 ASN 25 4.395 21.220 -22.127 196 HD22 ASN 25 HD22 ASN 25 2.792 21.215 -21.569 197 H PHE 26 HN PHE 26 5.296 20.367 -27.032 198 HA PHE 26 HA PHE 26 6.604 22.555 -28.281 199 HB2 PHE 26 HB2 PHE 26 7.736 20.443 -27.615 200 HB3 PHE 26 HB1 PHE 26 6.875 19.606 -28.907 201 HD1 PHE 26 HD1 PHE 26 9.315 22.322 -28.190 202 HD2 PHE 26 HD2 PHE 26 7.573 19.778 -31.182 203 HE1 PHE 26 HE1 PHE 26 11.035 23.057 -29.818 204 HE2 PHE 26 HE2 PHE 26 9.294 20.513 -32.809 205 HZ PHE 26 HZ PHE 26 11.025 22.153 -32.127 206 H LEU 27 HN LEU 27 4.139 20.304 -29.333 207 HA LEU 27 HA LEU 27 4.356 20.626 -32.108 208 HB2 LEU 27 HB2 LEU 27 2.980 18.883 -31.112 209 HB3 LEU 27 HB1 LEU 27 1.940 20.081 -30.360 210 HG LEU 27 HG LEU 27 1.197 18.884 -32.577 211 HD11 LEU 27 HD11 LEU 27 0.873 21.878 -32.618 212 HD12 LEU 27 HD12 LEU 27 0.174 20.923 -31.311 213 HD13 LEU 27 HD13 LEU 27 -0.307 20.621 -32.978 214 HD21 LEU 27 HD21 LEU 27 2.633 21.221 -33.832 215 HD22 LEU 27 HD22 LEU 27 1.916 19.816 -34.615 216 HD23 LEU 27 HD23 LEU 27 3.409 19.644 -33.695 217 H VAL 28 HN VAL 28 1.997 22.203 -29.933 218 HA VAL 28 HA VAL 28 1.151 24.111 -31.828 219 HB VAL 28 HB VAL 28 0.083 25.236 -29.927 220 HG11 VAL 28 HG11 VAL 28 -0.801 23.067 -30.935 221 HG12 VAL 28 HG12 VAL 28 -1.362 23.433 -29.303 222 HG13 VAL 28 HG13 VAL 28 -0.088 22.238 -29.551 223 HG21 VAL 28 HG21 VAL 28 1.657 23.250 -28.254 224 HG22 VAL 28 HG22 VAL 28 0.443 24.374 -27.644 225 HG23 VAL 28 HG23 VAL 28 1.952 24.987 -28.321 226 H HIS 29 HN HIS 29 3.910 23.984 -29.747 227 HA HIS 29 HA HIS 29 4.394 26.844 -29.789 228 HB2 HIS 29 HB2 HIS 29 5.039 25.530 -27.825 229 HB3 HIS 29 HB1 HIS 29 6.124 24.558 -28.821 230 HD1 HIS 29 HD1 HIS 29 5.609 28.217 -27.871 231 HD2 HIS 29 HD2 HIS 29 8.664 25.635 -29.045 232 HE1 HIS 29 HE1 HIS 29 7.761 29.546 -27.738 233 HE2 HIS 29 HE2 HIS 29 9.633 27.986 -28.451 234 H SER 30 HN SER 30 5.322 24.044 -31.659 235 HA SER 30 HA SER 30 7.437 25.557 -33.039 236 HB2 SER 30 HB2 SER 30 7.730 23.157 -32.158 237 HB3 SER 30 HB1 SER 30 6.694 22.680 -33.500 238 HG SER 30 HG SER 30 8.286 23.044 -34.824 239 H SER 31 HN SER 31 4.350 25.800 -33.342 240 HA SER 31 HA SER 31 3.620 24.802 -35.864 241 HB2 SER 31 HB2 SER 31 1.973 25.703 -34.302 242 HB3 SER 31 HB1 SER 31 2.682 27.308 -34.447 243 HG SER 31 HG SER 31 1.414 25.763 -36.463 244 H ASN 32 HN ASN 32 4.883 27.976 -34.928 245 HA ASN 32 HA ASN 32 4.990 29.178 -37.439 246 HB2 ASN 32 HB2 ASN 32 6.815 30.589 -36.490 247 HB3 ASN 32 HB1 ASN 32 5.412 30.465 -35.431 248 HD21 ASN 32 HD21 ASN 32 8.707 30.444 -35.289 249 HD22 ASN 32 HD22 ASN 32 8.933 29.434 -33.943 250 H ASN 33 HN ASN 33 7.496 27.266 -35.797 251 HA ASN 33 HA ASN 33 9.416 27.387 -37.869 252 HB2 ASN 33 HB2 ASN 33 8.952 25.396 -35.648 253 HB3 ASN 33 HB1 ASN 33 10.316 25.291 -36.760 254 HD21 ASN 33 HD21 ASN 33 10.705 25.738 -33.951 255 HD22 ASN 33 HD22 ASN 33 11.330 27.302 -33.748 256 H PHE 34 HN PHE 34 6.828 25.044 -37.197 257 HA PHE 34 HA PHE 34 7.392 23.061 -38.998 258 HB2 PHE 34 HB2 PHE 34 5.466 23.026 -37.468 259 HB3 PHE 34 HB1 PHE 34 4.664 24.247 -38.456 260 HD1 PHE 34 HD1 PHE 34 6.273 20.872 -38.737 261 HD2 PHE 34 HD2 PHE 34 3.285 23.576 -40.225 262 HE1 PHE 34 HE1 PHE 34 5.413 19.096 -40.239 263 HE2 PHE 34 HE2 PHE 34 2.426 21.800 -41.728 264 HZ PHE 34 HZ PHE 34 3.490 19.560 -41.735 265 H GLY 35 HN GLY 35 5.580 26.059 -39.699 266 HA2 GLY 35 HA2 GLY 35 5.175 25.520 -42.435 267 HA3 GLY 35 HA1 GLY 35 5.108 27.114 -41.702 268 H ALA 36 HN ALA 36 7.775 27.136 -40.692 269 HA ALA 36 HA ALA 36 9.172 28.188 -42.909 270 HB1 ALA 36 HB1 ALA 36 11.021 28.477 -41.418 271 HB2 ALA 36 HB2 ALA 36 10.428 27.215 -40.338 272 HB3 ALA 36 HB3 ALA 36 9.559 28.744 -40.469 273 H ILE 37 HN ILE 37 9.462 25.058 -41.238 274 HA ILE 37 HA ILE 37 11.612 24.138 -42.897 275 HB ILE 37 HB ILE 37 9.701 22.698 -41.047 276 HG12 ILE 37 HG12 ILE 37 12.681 23.189 -40.802 277 HG13 ILE 37 HG11 ILE 37 11.474 24.288 -40.133 278 HG21 ILE 37 HG21 ILE 37 11.376 20.802 -41.297 279 HG22 ILE 37 HG22 ILE 37 12.017 21.660 -42.698 280 HG23 ILE 37 HG23 ILE 37 10.350 21.084 -42.704 281 HD11 ILE 37 HD11 ILE 37 11.725 21.340 -39.466 282 HD12 ILE 37 HD12 ILE 37 10.531 22.449 -38.791 283 HD13 ILE 37 HD13 ILE 37 12.243 22.671 -38.431 284 H LEU 38 HN LEU 38 8.100 23.587 -42.884 285 HA LEU 38 HA LEU 38 8.008 21.739 -44.995 286 HB2 LEU 38 HB2 LEU 38 6.083 22.214 -43.537 287 HB3 LEU 38 HB1 LEU 38 5.958 23.832 -44.225 288 HG LEU 38 HG LEU 38 5.603 22.810 -46.475 289 HD11 LEU 38 HD11 LEU 38 6.685 20.685 -46.247 290 HD12 LEU 38 HD12 LEU 38 4.966 20.339 -46.433 291 HD13 LEU 38 HD13 LEU 38 5.712 20.267 -44.837 292 HD21 LEU 38 HD21 LEU 38 3.722 23.417 -44.873 293 HD22 LEU 38 HD22 LEU 38 3.654 21.711 -44.432 294 HD23 LEU 38 HD23 LEU 38 3.308 22.208 -46.088 295 H SER 39 HN SER 39 7.802 25.267 -44.986 296 HA SER 39 HA SER 39 7.319 25.774 -47.661 297 HB2 SER 39 HB2 SER 39 9.062 27.312 -45.728 298 HB3 SER 39 HB1 SER 39 8.532 27.925 -47.292 299 HG SER 39 HG SER 39 7.210 28.425 -45.342 300 H SER 40 HN SER 40 10.210 24.580 -46.151 301 HA SER 40 HA SER 40 11.854 25.110 -48.509 302 HB2 SER 40 HB2 SER 40 12.504 23.770 -45.876 303 HB3 SER 40 HB1 SER 40 13.665 24.083 -47.163 304 HG SER 40 HG SER 40 12.093 26.019 -45.797 305 H THR 41 HN THR 41 9.520 23.219 -48.518 306 HA THR 41 HA THR 41 10.322 20.544 -48.542 307 HB THR 41 HB THR 41 7.965 21.365 -48.716 308 HG1 THR 41 HG1 THR 41 7.413 19.575 -49.743 309 HG21 THR 41 HG21 THR 41 7.107 22.073 -50.869 310 HG22 THR 41 HG22 THR 41 8.676 21.805 -51.627 311 HG23 THR 41 HG23 THR 41 8.476 23.105 -50.452 312 H ASN 42 HN ASN 42 11.055 23.103 -50.748 313 HA ASN 42 HA ASN 42 11.708 21.380 -52.974 314 HB2 ASN 42 HB2 ASN 42 12.431 23.392 -54.079 315 HB3 ASN 42 HB1 ASN 42 10.925 23.743 -53.234 316 HD21 ASN 42 HD21 ASN 42 12.624 25.889 -53.851 317 HD22 ASN 42 HD22 ASN 42 13.340 26.473 -52.427 318 H VAL 43 HN VAL 43 13.163 21.560 -50.101 319 HA VAL 43 HA VAL 43 15.911 21.863 -51.031 320 HB VAL 43 HB VAL 43 14.994 22.720 -48.788 321 HG11 VAL 43 HG11 VAL 43 15.496 19.863 -47.930 322 HG12 VAL 43 HG12 VAL 43 13.881 20.456 -48.319 323 HG13 VAL 43 HG13 VAL 43 14.788 21.176 -46.990 324 HG21 VAL 43 HG21 VAL 43 17.413 20.916 -48.562 325 HG22 VAL 43 HG22 VAL 43 17.128 22.460 -47.762 326 HG23 VAL 43 HG23 VAL 43 17.445 22.412 -49.496 327 H GLY 44 HN GLY 44 14.006 19.567 -51.777 328 HA2 GLY 44 HA2 GLY 44 15.055 17.490 -52.576 329 HA3 GLY 44 HA1 GLY 44 15.845 17.380 -51.007 330 H SER 45 HN SER 45 13.093 18.455 -49.939 331 HA SER 45 HA SER 45 11.914 15.769 -49.679 332 HB2 SER 45 HB2 SER 45 10.780 16.692 -47.693 333 HB3 SER 45 HB1 SER 45 12.528 16.877 -47.581 334 HG SER 45 HG SER 45 12.188 18.936 -47.441 335 H ASN 46 HN ASN 46 11.505 17.389 -52.053 336 HA ASN 46 HA ASN 46 8.762 18.372 -51.813 337 HB2 ASN 46 HB2 ASN 46 9.046 19.189 -54.069 338 HB3 ASN 46 HB1 ASN 46 10.473 19.628 -53.132 339 HD21 ASN 46 HD21 ASN 46 10.727 19.505 -55.918 340 HD22 ASN 46 HD22 ASN 46 11.651 18.148 -56.347 341 H THR 47 HN THR 47 9.576 15.448 -51.629 342 HA THR 47 HA THR 47 8.247 14.328 -53.987 343 HB THR 47 HB THR 47 9.255 12.705 -51.671 344 HG1 THR 47 HG1 THR 47 11.245 13.154 -52.155 345 HG21 THR 47 HG21 THR 47 7.993 11.733 -53.647 346 HG22 THR 47 HG22 THR 47 9.591 11.040 -53.366 347 HG23 THR 47 HG23 THR 47 9.355 12.220 -54.655 348 H TYR 48 HN TYR 48 6.794 15.920 -51.952 349 HA TYR 48 HA TYR 48 5.050 13.885 -50.742 350 HB2 TYR 48 HB2 TYR 48 4.248 15.583 -49.296 351 HB3 TYR 48 HB1 TYR 48 5.987 15.852 -49.406 352 HD1 TYR 48 HD1 TYR 48 2.720 17.270 -49.934 353 HD2 TYR 48 HD2 TYR 48 6.840 17.569 -51.114 354 HE1 TYR 48 HE1 TYR 48 2.312 19.564 -50.781 355 HE2 TYR 48 HE2 TYR 48 6.430 19.863 -51.962 356 HH TYR 48 HH TYR 48 4.465 21.759 -51.251 357 H GLY 49 HN GLY 49 5.163 14.845 -53.678 358 HA2 GLY 49 HA2 GLY 49 2.965 16.340 -54.410 359 HA3 GLY 49 HA1 GLY 49 3.598 15.002 -55.364 360 H LYS 50 HN LYS 50 0.972 16.134 -53.582 361 HA LYS 50 HA LYS 50 -0.136 13.639 -52.718 362 HB2 LYS 50 HB2 LYS 50 -1.348 16.377 -53.133 363 HB3 LYS 50 HB1 LYS 50 -2.243 15.004 -52.480 364 HG2 LYS 50 HG2 LYS 50 -0.482 14.785 -50.700 365 HG3 LYS 50 HG1 LYS 50 0.239 16.279 -51.298 366 HD2 LYS 50 HD2 LYS 50 -2.672 16.134 -50.507 367 HD3 LYS 50 HD1 LYS 50 -1.409 16.487 -49.327 368 HE2 LYS 50 HE2 LYS 50 -1.707 18.040 -51.907 369 HE3 LYS 50 HE1 LYS 50 -2.505 18.520 -50.410 370 HZ1 LYS 50 HZ1 LYS 50 0.355 17.936 -50.288 371 HZ2 LYS 50 HZ2 LYS 50 -0.557 19.089 -49.436 372 HZ3 LYS 50 HZ3 LYS 50 -0.111 19.378 -51.049 373 H ARG 51 HN ARG 51 -0.134 15.431 -55.694 374 HA ARG 51 HA ARG 51 -2.444 14.306 -56.889 375 HB2 ARG 51 HB2 ARG 51 -1.621 15.199 -58.944 376 HB3 ARG 51 HB1 ARG 51 -1.167 16.343 -57.681 377 HG2 ARG 51 HG2 ARG 51 1.077 15.189 -57.561 378 HG3 ARG 51 HG1 ARG 51 0.607 14.264 -58.987 379 HD2 ARG 51 HD2 ARG 51 0.245 16.391 -60.218 380 HD3 ARG 51 HD1 ARG 51 0.796 17.284 -58.803 381 HE ARG 51 HE ARG 51 2.449 15.835 -60.686 382 HH11 ARG 51 HH11 ARG 51 2.178 17.102 -57.447 383 HH12 ARG 51 HH12 ARG 51 3.888 17.201 -57.216 384 HH21 ARG 51 HH21 ARG 51 4.678 15.979 -60.357 385 HH22 ARG 51 HH22 ARG 51 5.297 16.570 -58.851 386 H ASN 52 HN ASN 52 0.594 12.931 -56.132 387 HA ASN 52 HA ASN 52 0.570 10.970 -58.266 388 HB2 ASN 52 HB2 ASN 52 2.631 11.938 -57.005 389 HB3 ASN 52 HB1 ASN 52 2.221 10.754 -55.765 390 HD21 ASN 52 HD21 ASN 52 2.344 8.452 -56.360 391 HD22 ASN 52 HD22 ASN 52 3.219 7.959 -57.729 392 H ALA 53 HN ALA 53 -0.431 11.196 -54.910 393 HA ALA 53 HA ALA 53 -0.750 8.484 -54.311 394 HB1 ALA 53 HB1 ALA 53 -1.917 9.189 -52.445 395 HB2 ALA 53 HB2 ALA 53 -2.733 10.489 -53.314 396 HB3 ALA 53 HB3 ALA 53 -1.038 10.662 -52.856 397 H VAL 54 HN VAL 54 -3.024 10.771 -55.823 398 HA VAL 54 HA VAL 54 -5.129 8.842 -56.047 399 HB VAL 54 HB VAL 54 -5.292 11.429 -56.060 400 HG11 VAL 54 HG11 VAL 54 -4.964 10.966 -59.032 401 HG12 VAL 54 HG12 VAL 54 -3.661 11.578 -58.015 402 HG13 VAL 54 HG13 VAL 54 -5.150 12.504 -58.191 403 HG21 VAL 54 HG21 VAL 54 -7.375 11.304 -57.303 404 HG22 VAL 54 HG22 VAL 54 -7.165 9.790 -56.423 405 HG23 VAL 54 HG23 VAL 54 -6.827 9.859 -58.153 406 H GLU 55 HN GLU 55 -2.405 9.767 -58.036 407 HA GLU 55 HA GLU 55 -3.245 8.800 -60.523 408 HB2 GLU 55 HB2 GLU 55 -1.136 10.098 -60.030 409 HB3 GLU 55 HB1 GLU 55 -0.436 8.597 -59.425 410 HG2 GLU 55 HG2 GLU 55 -1.708 8.669 -62.149 411 HG3 GLU 55 HG1 GLU 55 -0.063 9.261 -61.933 412 H VAL 56 HN VAL 56 -1.585 7.090 -57.872 413 HA VAL 56 HA VAL 56 -1.509 4.589 -59.240 414 HB VAL 56 HB VAL 56 -0.194 5.473 -57.106 415 HG11 VAL 56 HG11 VAL 56 -2.340 3.752 -55.844 416 HG12 VAL 56 HG12 VAL 56 -2.366 5.514 -55.774 417 HG13 VAL 56 HG13 VAL 56 -1.038 4.622 -55.034 418 HG21 VAL 56 HG21 VAL 56 0.259 3.048 -56.561 419 HG22 VAL 56 HG22 VAL 56 0.386 3.441 -58.276 420 HG23 VAL 56 HG23 VAL 56 -1.049 2.619 -57.662 421 H LEU 57 HN LEU 57 -3.853 6.154 -57.146 422 HA LEU 57 HA LEU 57 -5.462 3.995 -56.434 423 HB2 LEU 57 HB2 LEU 57 -5.764 6.898 -56.632 424 HB3 LEU 57 HB1 LEU 57 -7.270 6.022 -56.909 425 HG LEU 57 HG LEU 57 -6.625 4.657 -54.805 426 HD11 LEU 57 HD11 LEU 57 -4.280 5.562 -54.758 427 HD12 LEU 57 HD12 LEU 57 -5.147 5.773 -53.237 428 HD13 LEU 57 HD13 LEU 57 -4.947 7.139 -54.334 429 HD21 LEU 57 HD21 LEU 57 -8.434 6.422 -55.001 430 HD22 LEU 57 HD22 LEU 57 -7.257 7.596 -54.411 431 HD23 LEU 57 HD23 LEU 57 -7.751 6.250 -53.384 432 H LYS 58 HN LYS 58 -5.841 6.117 -59.292 433 HA LYS 58 HA LYS 58 -7.928 4.541 -60.404 434 HB2 LYS 58 HB2 LYS 58 -6.118 6.655 -61.578 435 HB3 LYS 58 HB1 LYS 58 -7.391 5.866 -62.510 436 HG2 LYS 58 HG2 LYS 58 -7.962 7.163 -59.844 437 HG3 LYS 58 HG1 LYS 58 -7.999 8.085 -61.347 438 HD2 LYS 58 HD2 LYS 58 -9.616 6.378 -62.261 439 HD3 LYS 58 HD1 LYS 58 -9.685 5.667 -60.648 440 HE2 LYS 58 HE2 LYS 58 -10.329 8.564 -61.264 441 HE3 LYS 58 HE1 LYS 58 -11.538 7.294 -61.075 442 HZ1 LYS 58 HZ1 LYS 58 -9.565 8.143 -59.024 443 HZ2 LYS 58 HZ2 LYS 58 -10.694 6.887 -58.840 444 HZ3 LYS 58 HZ3 LYS 58 -11.225 8.492 -59.013 445 H ARG 59 HN ARG 59 -4.456 4.442 -60.572 446 HA ARG 59 HA ARG 59 -4.168 2.880 -62.920 447 HB2 ARG 59 HB2 ARG 59 -2.380 4.189 -61.582 448 HB3 ARG 59 HB1 ARG 59 -2.277 2.737 -60.585 449 HG2 ARG 59 HG2 ARG 59 -2.248 2.233 -63.494 450 HG3 ARG 59 HG1 ARG 59 -0.849 3.121 -62.888 451 HD2 ARG 59 HD2 ARG 59 -0.509 1.375 -61.161 452 HD3 ARG 59 HD1 ARG 59 -1.877 0.478 -61.815 453 HE ARG 59 HE ARG 59 -0.154 0.899 -63.948 454 HH11 ARG 59 HH11 ARG 59 -0.032 -0.639 -60.820 455 HH12 ARG 59 HH12 ARG 59 1.130 -1.820 -61.315 456 HH21 ARG 59 HH21 ARG 59 1.363 -0.657 -64.566 457 HH22 ARG 59 HH22 ARG 59 1.916 -1.833 -63.421 458 H GLU 60 HN GLU 60 -4.670 2.044 -59.523 459 HA GLU 60 HA GLU 60 -4.906 -0.793 -60.332 460 HB2 GLU 60 HB2 GLU 60 -3.967 0.407 -57.721 461 HB3 GLU 60 HB1 GLU 60 -4.338 -1.304 -57.936 462 HG2 GLU 60 HG2 GLU 60 -2.357 0.197 -59.664 463 HG3 GLU 60 HG1 GLU 60 -1.895 -0.715 -58.228 464 HA PRO 61 HA PRO 61 -9.029 0.692 -58.797 465 HB2 PRO 61 HB2 PRO 61 -10.487 -0.467 -60.799 466 HB3 PRO 61 HB1 PRO 61 -9.781 1.155 -60.921 467 HG2 PRO 61 HG2 PRO 61 -8.812 -1.421 -62.048 468 HG3 PRO 61 HG1 PRO 61 -8.794 0.202 -62.758 469 HD2 PRO 61 HD2 PRO 61 -6.582 -0.965 -61.628 470 HD3 PRO 61 HD1 PRO 61 -6.833 0.793 -61.693 471 H LEU 62 HN LEU 62 -7.462 -2.278 -59.265 472 HA LEU 62 HA LEU 62 -9.559 -4.102 -58.692 473 HB2 LEU 62 HB2 LEU 62 -7.316 -4.695 -59.671 474 HB3 LEU 62 HB1 LEU 62 -6.621 -4.455 -58.067 475 HG LEU 62 HG LEU 62 -9.009 -6.151 -58.030 476 HD11 LEU 62 HD11 LEU 62 -7.949 -6.715 -60.276 477 HD12 LEU 62 HD12 LEU 62 -8.086 -8.063 -59.147 478 HD13 LEU 62 HD13 LEU 62 -6.533 -7.258 -59.375 479 HD21 LEU 62 HD21 LEU 62 -7.362 -7.606 -56.753 480 HD22 LEU 62 HD22 LEU 62 -7.583 -5.984 -56.097 481 HD23 LEU 62 HD23 LEU 62 -6.149 -6.360 -57.051 482 H ASN 63 HN ASN 63 -7.186 -2.428 -56.651 483 HA ASN 63 HA ASN 63 -7.973 -3.668 -54.215 484 HB2 ASN 63 HB2 ASN 63 -6.874 -1.554 -53.207 485 HB3 ASN 63 HB1 ASN 63 -5.862 -2.660 -54.131 486 HD21 ASN 63 HD21 ASN 63 -7.851 0.313 -54.616 487 HD22 ASN 63 HD22 ASN 63 -6.828 0.972 -55.799 488 H TYR 64 HN TYR 64 -9.160 -0.905 -56.008 489 HA TYR 64 HA TYR 64 -10.779 0.113 -53.851 490 HB2 TYR 64 HB2 TYR 64 -9.994 1.613 -55.621 491 HB3 TYR 64 HB1 TYR 64 -10.869 0.669 -56.827 492 HD1 TYR 64 HD1 TYR 64 -11.355 2.644 -53.690 493 HD2 TYR 64 HD2 TYR 64 -13.137 1.115 -57.288 494 HE1 TYR 64 HE1 TYR 64 -13.409 3.955 -53.231 495 HE2 TYR 64 HE2 TYR 64 -15.190 2.427 -56.828 496 HH TYR 64 HH TYR 64 -16.086 3.534 -54.081 497 H LEU 65 HN LEU 65 -11.380 -1.828 -56.768 498 HA LEU 65 HA LEU 65 -14.187 -2.074 -56.286 499 HB2 LEU 65 HB2 LEU 65 -12.286 -3.650 -58.036 500 HB3 LEU 65 HB1 LEU 65 -14.033 -3.880 -58.027 501 HG LEU 65 HG LEU 65 -12.713 -1.206 -58.551 502 HD11 LEU 65 HD11 LEU 65 -13.397 -1.693 -60.952 503 HD12 LEU 65 HD12 LEU 65 -13.641 -3.369 -60.457 504 HD13 LEU 65 HD13 LEU 65 -12.037 -2.642 -60.352 505 HD21 LEU 65 HD21 LEU 65 -15.024 -0.815 -59.600 506 HD22 LEU 65 HD22 LEU 65 -14.977 -0.914 -57.841 507 HD23 LEU 65 HD23 LEU 65 -15.529 -2.296 -58.786 508 HA PRO 66 HA PRO 66 -14.538 -5.308 -53.324 509 HB2 PRO 66 HB2 PRO 66 -16.036 -6.928 -55.336 510 HB3 PRO 66 HB1 PRO 66 -16.505 -6.455 -53.692 511 HG2 PRO 66 HG2 PRO 66 -17.564 -5.277 -55.827 512 HG3 PRO 66 HG1 PRO 66 -17.210 -4.370 -54.347 513 HD2 PRO 66 HD2 PRO 66 -15.751 -4.362 -56.953 514 HD3 PRO 66 HD1 PRO 66 -15.961 -3.051 -55.771 515 H LEU 67 HN LEU 67 -13.330 -7.045 -52.691 516 HA LEU 67 HA LEU 67 -12.017 -8.655 -54.795 517 HB2 LEU 67 HB2 LEU 67 -10.741 -6.825 -53.121 518 HB3 LEU 67 HB1 LEU 67 -10.424 -8.394 -52.380 519 HG LEU 67 HG LEU 67 -10.023 -7.840 -55.330 520 HD11 LEU 67 HD11 LEU 67 -8.095 -7.680 -53.001 521 HD12 LEU 67 HD12 LEU 67 -8.460 -6.426 -54.186 522 HD13 LEU 67 HD13 LEU 67 -7.562 -7.864 -54.672 523 HD21 LEU 67 HD21 LEU 67 -10.302 -10.188 -54.850 524 HD22 LEU 67 HD22 LEU 67 -9.233 -10.084 -53.451 525 HD23 LEU 67 HD23 LEU 67 -8.575 -9.907 -55.077 Start of MODEL 3 1 H1 THR 1 HT1 THR 1 -3.929 -4.689 -0.680 2 H2 THR 1 HT2 THR 1 -3.600 -3.103 -1.191 3 H3 THR 1 HT3 THR 1 -4.043 -3.404 0.421 4 HA THR 1 HA THR 1 -1.944 -4.955 0.340 5 HB THR 1 HB THR 1 -1.873 -3.713 -2.165 6 HG1 THR 1 HG1 THR 1 -0.154 -4.975 -2.371 7 HG21 THR 1 HG21 THR 1 0.088 -2.288 -2.140 8 HG22 THR 1 HG22 THR 1 0.302 -2.538 -0.410 9 HG23 THR 1 HG23 THR 1 -1.091 -1.632 -1.007 10 HA PRO 2 HA PRO 2 -0.992 -2.021 3.491 11 HB2 PRO 2 HB2 PRO 2 1.652 -2.477 3.962 12 HB3 PRO 2 HB1 PRO 2 0.381 -3.631 4.410 13 HG2 PRO 2 HG2 PRO 2 2.238 -3.667 2.088 14 HG3 PRO 2 HG1 PRO 2 1.648 -5.006 3.086 15 HD2 PRO 2 HD2 PRO 2 0.641 -4.395 0.592 16 HD3 PRO 2 HD1 PRO 2 -0.278 -5.251 1.848 17 H ILE 3 HN ILE 3 0.032 -0.007 3.971 18 HA ILE 3 HA ILE 3 0.409 1.756 1.875 19 HB ILE 3 HB ILE 3 0.051 2.373 4.278 20 HG12 ILE 3 HG12 ILE 3 1.689 4.332 4.191 21 HG13 ILE 3 HG11 ILE 3 2.332 3.609 2.717 22 HG21 ILE 3 HG21 ILE 3 1.809 0.806 5.156 23 HG22 ILE 3 HG22 ILE 3 1.963 2.451 5.772 24 HG23 ILE 3 HG23 ILE 3 3.036 1.884 4.492 25 HD11 ILE 3 HD11 ILE 3 -0.610 4.213 3.077 26 HD12 ILE 3 HD12 ILE 3 0.241 3.832 1.580 27 HD13 ILE 3 HD13 ILE 3 0.520 5.377 2.384 28 H GLU 4 HN GLU 4 2.085 2.381 0.614 29 HA GLU 4 HA GLU 4 4.293 0.651 0.252 30 HB2 GLU 4 HB2 GLU 4 5.101 2.328 -1.334 31 HB3 GLU 4 HB1 GLU 4 3.366 2.082 -1.540 32 HG2 GLU 4 HG2 GLU 4 2.926 4.071 -0.132 33 HG3 GLU 4 HG1 GLU 4 4.663 4.330 0.028 34 H SER 5 HN SER 5 6.560 1.153 0.498 35 HA SER 5 HA SER 5 7.177 2.180 3.093 36 HB2 SER 5 HB2 SER 5 9.461 1.616 2.568 37 HB3 SER 5 HB1 SER 5 8.428 0.336 1.938 38 HG SER 5 HG SER 5 10.047 1.126 0.448 39 H HIS 6 HN HIS 6 8.868 3.857 3.450 40 HA HIS 6 HA HIS 6 8.206 6.235 1.892 41 HB2 HIS 6 HB2 HIS 6 9.406 7.446 3.668 42 HB3 HIS 6 HB1 HIS 6 8.179 6.374 4.344 43 HD1 HIS 6 HD1 HIS 6 11.917 6.669 3.883 44 HD2 HIS 6 HD2 HIS 6 9.187 4.266 5.921 45 HE1 HIS 6 HE1 HIS 6 13.274 5.215 5.452 46 HE2 HIS 6 HE2 HIS 6 11.624 3.744 6.701 47 H GLN 7 HN GLN 7 10.058 3.960 0.974 48 HA GLN 7 HA GLN 7 12.710 4.923 0.880 49 HB2 GLN 7 HB2 GLN 7 12.116 2.594 0.364 50 HB3 GLN 7 HB1 GLN 7 11.254 3.130 -1.079 51 HG2 GLN 7 HG2 GLN 7 13.341 4.063 -1.993 52 HG3 GLN 7 HG1 GLN 7 14.210 3.548 -0.547 53 HE21 GLN 7 HE21 GLN 7 15.448 1.753 -1.125 54 HE22 GLN 7 HE22 GLN 7 14.881 0.443 -2.043 55 H VAL 8 HN VAL 8 13.724 6.345 -0.424 56 HA VAL 8 HA VAL 8 12.373 8.360 -1.763 57 HB VAL 8 HB VAL 8 14.761 8.456 -1.086 58 HG11 VAL 8 HG11 VAL 8 15.297 6.140 -1.925 59 HG12 VAL 8 HG12 VAL 8 16.453 7.370 -2.435 60 HG13 VAL 8 HG13 VAL 8 15.237 6.780 -3.567 61 HG21 VAL 8 HG21 VAL 8 14.422 8.920 -4.062 62 HG22 VAL 8 HG22 VAL 8 15.478 9.797 -2.955 63 HG23 VAL 8 HG23 VAL 8 13.728 9.980 -2.835 64 H GLU 9 HN GLU 9 11.564 8.640 -3.771 65 HA GLU 9 HA GLU 9 12.173 6.697 -5.873 66 HB2 GLU 9 HB2 GLU 9 9.801 6.279 -6.342 67 HB3 GLU 9 HB1 GLU 9 10.215 5.755 -4.710 68 HG2 GLU 9 HG2 GLU 9 8.278 6.946 -4.272 69 HG3 GLU 9 HG1 GLU 9 9.475 8.226 -4.086 70 H LYS 10 HN LYS 10 11.231 7.377 -7.984 71 HA LYS 10 HA LYS 10 10.679 10.263 -8.146 72 HB2 LYS 10 HB2 LYS 10 12.273 10.513 -9.992 73 HB3 LYS 10 HB1 LYS 10 13.098 9.974 -8.529 74 HG2 LYS 10 HG2 LYS 10 13.045 7.651 -9.334 75 HG3 LYS 10 HG1 LYS 10 12.188 8.165 -10.787 76 HD2 LYS 10 HD2 LYS 10 14.100 9.612 -11.396 77 HD3 LYS 10 HD1 LYS 10 14.963 9.062 -9.960 78 HE2 LYS 10 HE2 LYS 10 13.979 7.242 -12.176 79 HE3 LYS 10 HE1 LYS 10 15.638 7.819 -12.015 80 HZ1 LYS 10 HZ1 LYS 10 14.134 6.088 -10.137 81 HZ2 LYS 10 HZ2 LYS 10 15.610 6.827 -9.736 82 HZ3 LYS 10 HZ3 LYS 10 15.538 5.700 -11.006 83 H ARG 11 HN ARG 11 9.791 10.900 -10.244 84 HA ARG 11 HA ARG 11 8.733 8.738 -11.894 85 HB2 ARG 11 HB2 ARG 11 6.451 10.112 -11.772 86 HB3 ARG 11 HB1 ARG 11 6.806 8.798 -10.660 87 HG2 ARG 11 HG2 ARG 11 6.010 10.576 -9.301 88 HG3 ARG 11 HG1 ARG 11 7.750 10.600 -9.072 89 HD2 ARG 11 HD2 ARG 11 6.507 12.270 -11.238 90 HD3 ARG 11 HD1 ARG 11 6.466 12.833 -9.574 91 HE ARG 11 HE ARG 11 8.791 12.691 -11.288 92 HH11 ARG 11 HH11 ARG 11 7.611 12.752 -8.006 93 HH12 ARG 11 HH12 ARG 11 9.091 13.372 -7.361 94 HH21 ARG 11 HH21 ARG 11 10.713 13.498 -10.416 95 HH22 ARG 11 HH22 ARG 11 10.837 13.792 -8.713 96 H LYS 12 HN LYS 12 10.575 10.029 -13.009 97 HA LYS 12 HA LYS 12 10.256 12.599 -14.001 98 HB2 LYS 12 HB2 LYS 12 11.726 11.904 -15.851 99 HB3 LYS 12 HB1 LYS 12 12.311 11.293 -14.303 100 HG2 LYS 12 HG2 LYS 12 11.240 9.113 -14.762 101 HG3 LYS 12 HG1 LYS 12 10.677 9.722 -16.319 102 HD2 LYS 12 HD2 LYS 12 12.956 10.024 -17.091 103 HD3 LYS 12 HD1 LYS 12 13.593 9.609 -15.500 104 HE2 LYS 12 HE2 LYS 12 13.763 7.672 -16.988 105 HE3 LYS 12 HE1 LYS 12 12.588 7.344 -15.715 106 HZ1 LYS 12 HZ1 LYS 12 10.809 7.755 -17.181 107 HZ2 LYS 12 HZ2 LYS 12 11.882 6.750 -18.031 108 HZ3 LYS 12 HZ3 LYS 12 11.824 8.414 -18.369 109 H CYS 13 HN CYS 13 9.385 13.458 -15.903 110 HA CYS 13 HA CYS 13 6.877 12.378 -16.696 111 HB2 CYS 13 HB2 CYS 13 8.348 14.816 -17.081 112 HB3 CYS 13 HB1 CYS 13 7.719 14.261 -18.632 113 H ASN 14 HN ASN 14 7.241 10.297 -17.510 114 HA ASN 14 HA ASN 14 8.720 10.172 -20.066 115 HB2 ASN 14 HB2 ASN 14 8.726 7.682 -19.635 116 HB3 ASN 14 HB1 ASN 14 9.674 8.640 -18.499 117 HD21 ASN 14 HD21 ASN 14 9.275 8.167 -16.337 118 HD22 ASN 14 HD22 ASN 14 7.843 7.479 -15.739 119 H THR 15 HN THR 15 5.667 9.492 -18.464 120 HA THR 15 HA THR 15 4.340 7.927 -20.289 121 HB THR 15 HB THR 15 3.241 8.547 -18.252 122 HG1 THR 15 HG1 THR 15 1.325 8.757 -19.129 123 HG21 THR 15 HG21 THR 15 2.375 11.003 -18.118 124 HG22 THR 15 HG22 THR 15 3.668 11.354 -19.263 125 HG23 THR 15 HG23 THR 15 4.050 10.674 -17.682 126 H ALA 16 HN ALA 16 3.187 8.243 -22.167 127 HA ALA 16 HA ALA 16 4.169 10.174 -23.984 128 HB1 ALA 16 HB1 ALA 16 1.572 8.687 -24.325 129 HB2 ALA 16 HB2 ALA 16 3.132 7.878 -24.478 130 HB3 ALA 16 HB3 ALA 16 2.715 9.203 -25.565 131 H THR 17 HN THR 17 1.577 10.267 -21.687 132 HA THR 17 HA THR 17 0.006 12.282 -22.966 133 HB THR 17 HB THR 17 0.177 11.508 -20.043 134 HG1 THR 17 HG1 THR 17 -1.611 10.745 -22.108 135 HG21 THR 17 HG21 THR 17 -2.162 12.502 -20.048 136 HG22 THR 17 HG22 THR 17 -1.777 13.186 -21.627 137 HG23 THR 17 HG23 THR 17 -0.847 13.666 -20.208 138 H CYS 18 HN CYS 18 2.584 12.332 -20.537 139 HA CYS 18 HA CYS 18 2.476 15.081 -19.932 140 HB2 CYS 18 HB2 CYS 18 3.716 13.441 -18.571 141 HB3 CYS 18 HB1 CYS 18 4.871 13.229 -19.887 142 H ALA 19 HN ALA 19 4.458 13.297 -22.291 143 HA ALA 19 HA ALA 19 5.860 15.530 -23.287 144 HB1 ALA 19 HB1 ALA 19 6.417 13.085 -23.662 145 HB2 ALA 19 HB2 ALA 19 6.534 14.114 -25.090 146 HB3 ALA 19 HB3 ALA 19 5.134 13.063 -24.873 147 H THR 20 HN THR 20 2.741 14.129 -24.153 148 HA THR 20 HA THR 20 2.213 15.330 -26.570 149 HB THR 20 HB THR 20 0.282 14.965 -24.271 150 HG1 THR 20 HG1 THR 20 1.017 13.306 -26.450 151 HG21 THR 20 HG21 THR 20 -0.082 15.458 -27.231 152 HG22 THR 20 HG22 THR 20 -0.750 16.384 -25.887 153 HG23 THR 20 HG23 THR 20 -1.351 14.761 -26.223 154 H GLN 21 HN GLN 21 1.759 16.757 -23.334 155 HA GLN 21 HA GLN 21 0.709 19.217 -24.311 156 HB2 GLN 21 HB2 GLN 21 0.547 19.835 -22.116 157 HB3 GLN 21 HB1 GLN 21 0.732 18.097 -21.883 158 HG2 GLN 21 HG2 GLN 21 3.252 18.526 -21.767 159 HG3 GLN 21 HG1 GLN 21 2.853 20.238 -21.638 160 HE21 GLN 21 HE21 GLN 21 3.583 17.622 -19.738 161 HE22 GLN 21 HE22 GLN 21 2.743 18.056 -18.328 162 H ARG 22 HN ARG 22 3.954 18.018 -23.816 163 HA ARG 22 HA ARG 22 5.211 20.597 -23.856 164 HB2 ARG 22 HB2 ARG 22 6.350 18.740 -22.795 165 HB3 ARG 22 HB1 ARG 22 6.319 17.814 -24.294 166 HG2 ARG 22 HG2 ARG 22 8.531 18.855 -23.934 167 HG3 ARG 22 HG1 ARG 22 7.756 19.502 -25.378 168 HD2 ARG 22 HD2 ARG 22 8.794 21.258 -23.908 169 HD3 ARG 22 HD1 ARG 22 7.074 21.498 -24.198 170 HE ARG 22 HE ARG 22 6.684 21.101 -21.941 171 HH11 ARG 22 HH11 ARG 22 9.911 20.100 -22.810 172 HH12 ARG 22 HH12 ARG 22 10.393 19.823 -21.172 173 HH21 ARG 22 HH21 ARG 22 7.343 20.732 -19.812 174 HH22 ARG 22 HH22 ARG 22 8.951 20.178 -19.485 175 H LEU 23 HN LEU 23 4.966 17.966 -26.249 176 HA LEU 23 HA LEU 23 6.176 19.474 -28.342 177 HB2 LEU 23 HB2 LEU 23 5.384 17.683 -29.829 178 HB3 LEU 23 HB1 LEU 23 6.148 17.022 -28.385 179 HG LEU 23 HG LEU 23 3.544 17.234 -27.562 180 HD11 LEU 23 HD11 LEU 23 2.987 17.894 -29.969 181 HD12 LEU 23 HD12 LEU 23 2.078 16.530 -29.319 182 HD13 LEU 23 HD13 LEU 23 3.424 16.247 -30.422 183 HD21 LEU 23 HD21 LEU 23 3.460 14.743 -28.149 184 HD22 LEU 23 HD22 LEU 23 4.844 15.259 -27.185 185 HD23 LEU 23 HD23 LEU 23 5.033 14.969 -28.914 186 H ALA 24 HN ALA 24 2.855 19.026 -27.267 187 HA ALA 24 HA ALA 24 1.505 20.039 -29.496 188 HB1 ALA 24 HB1 ALA 24 0.888 19.958 -26.559 189 HB2 ALA 24 HB2 ALA 24 0.119 19.081 -27.882 190 HB3 ALA 24 HB3 ALA 24 -0.190 20.804 -27.669 191 H ASN 25 HN ASN 25 2.796 21.758 -26.648 192 HA ASN 25 HA ASN 25 1.928 24.330 -27.428 193 HB2 ASN 25 HB2 ASN 25 4.058 23.313 -25.571 194 HB3 ASN 25 HB1 ASN 25 3.909 25.038 -25.903 195 HD21 ASN 25 HD21 ASN 25 3.363 24.866 -23.406 196 HD22 ASN 25 HD22 ASN 25 1.719 24.675 -23.030 197 H PHE 26 HN PHE 26 4.910 22.529 -28.043 198 HA PHE 26 HA PHE 26 6.374 24.612 -29.251 199 HB2 PHE 26 HB2 PHE 26 7.358 22.461 -28.494 200 HB3 PHE 26 HB1 PHE 26 6.545 21.645 -29.830 201 HD1 PHE 26 HD1 PHE 26 9.004 24.330 -29.024 202 HD2 PHE 26 HD2 PHE 26 7.457 21.667 -32.018 203 HE1 PHE 26 HE1 PHE 26 10.864 24.956 -30.541 204 HE2 PHE 26 HE2 PHE 26 9.316 22.293 -33.535 205 HZ PHE 26 HZ PHE 26 11.020 23.938 -32.797 206 H LEU 27 HN LEU 27 3.915 22.440 -30.485 207 HA LEU 27 HA LEU 27 4.365 22.833 -33.243 208 HB2 LEU 27 HB2 LEU 27 2.988 21.005 -32.412 209 HB3 LEU 27 HB1 LEU 27 1.846 22.135 -31.706 210 HG LEU 27 HG LEU 27 1.323 20.993 -34.011 211 HD11 LEU 27 HD11 LEU 27 0.892 23.973 -33.987 212 HD12 LEU 27 HD12 LEU 27 0.131 22.953 -32.766 213 HD13 LEU 27 HD13 LEU 27 -0.210 22.688 -34.474 214 HD21 LEU 27 HD21 LEU 27 3.586 21.865 -34.927 215 HD22 LEU 27 HD22 LEU 27 2.766 23.418 -35.076 216 HD23 LEU 27 HD23 LEU 27 2.164 22.017 -35.956 217 H VAL 28 HN VAL 28 1.801 24.244 -31.190 218 HA VAL 28 HA VAL 28 0.978 26.168 -33.065 219 HB VAL 28 HB VAL 28 -0.194 27.220 -31.169 220 HG11 VAL 28 HG11 VAL 28 -0.985 25.083 -32.316 221 HG12 VAL 28 HG12 VAL 28 -1.632 25.366 -30.700 222 HG13 VAL 28 HG13 VAL 28 -0.326 24.205 -30.936 223 HG21 VAL 28 HG21 VAL 28 1.277 25.163 -29.491 224 HG22 VAL 28 HG22 VAL 28 0.087 26.327 -28.913 225 HG23 VAL 28 HG23 VAL 28 1.649 26.886 -29.511 226 H HIS 29 HN HIS 29 3.710 26.092 -30.976 227 HA HIS 29 HA HIS 29 4.046 28.999 -30.989 228 HB2 HIS 29 HB2 HIS 29 4.545 27.811 -28.915 229 HB3 HIS 29 HB1 HIS 29 5.728 26.808 -29.755 230 HD1 HIS 29 HD1 HIS 29 5.082 30.512 -29.096 231 HD2 HIS 29 HD2 HIS 29 8.266 27.905 -29.761 232 HE1 HIS 29 HE1 HIS 29 7.196 31.881 -28.830 233 HE2 HIS 29 HE2 HIS 29 9.147 30.306 -29.233 234 H SER 30 HN SER 30 5.264 26.149 -32.601 235 HA SER 30 HA SER 30 7.382 27.725 -33.920 236 HB2 SER 30 HB2 SER 30 7.844 25.483 -32.752 237 HB3 SER 30 HB1 SER 30 6.984 24.748 -34.102 238 HG SER 30 HG SER 30 8.861 24.893 -35.047 239 H SER 31 HN SER 31 4.335 27.600 -34.502 240 HA SER 31 HA SER 31 3.908 26.265 -36.927 241 HB2 SER 31 HB2 SER 31 2.074 27.226 -35.632 242 HB3 SER 31 HB1 SER 31 2.687 28.850 -35.929 243 HG SER 31 HG SER 31 1.807 26.976 -37.878 244 H ASN 32 HN ASN 32 4.858 29.639 -36.348 245 HA ASN 32 HA ASN 32 5.093 30.513 -38.969 246 HB2 ASN 32 HB2 ASN 32 6.882 32.072 -38.056 247 HB3 ASN 32 HB1 ASN 32 5.326 32.120 -37.231 248 HD21 ASN 32 HD21 ASN 32 8.631 31.928 -36.654 249 HD22 ASN 32 HD22 ASN 32 8.584 31.240 -35.103 250 H ASN 33 HN ASN 33 7.637 29.061 -36.951 251 HA ASN 33 HA ASN 33 9.650 29.000 -38.929 252 HB2 ASN 33 HB2 ASN 33 9.184 27.293 -36.480 253 HB3 ASN 33 HB1 ASN 33 10.621 27.158 -37.493 254 HD21 ASN 33 HD21 ASN 33 11.590 29.552 -37.969 255 HD22 ASN 33 HD22 ASN 33 11.748 30.515 -36.580 256 H PHE 34 HN PHE 34 7.176 26.607 -38.045 257 HA PHE 34 HA PHE 34 7.999 24.473 -39.597 258 HB2 PHE 34 HB2 PHE 34 6.112 24.386 -38.019 259 HB3 PHE 34 HB1 PHE 34 5.158 25.390 -39.110 260 HD1 PHE 34 HD1 PHE 34 7.152 22.215 -39.074 261 HD2 PHE 34 HD2 PHE 34 3.833 24.368 -40.748 262 HE1 PHE 34 HE1 PHE 34 6.484 20.195 -40.348 263 HE2 PHE 34 HE2 PHE 34 3.166 22.348 -42.023 264 HZ PHE 34 HZ PHE 34 4.491 20.262 -41.823 265 H GLY 35 HN GLY 35 5.881 27.178 -40.559 266 HA2 GLY 35 HA2 GLY 35 5.456 26.311 -43.205 267 HA3 GLY 35 HA1 GLY 35 5.270 27.966 -42.643 268 H ALA 36 HN ALA 36 7.956 28.337 -41.755 269 HA ALA 36 HA ALA 36 9.179 29.256 -44.123 270 HB1 ALA 36 HB1 ALA 36 9.728 30.270 -42.002 271 HB2 ALA 36 HB2 ALA 36 11.199 29.568 -42.676 272 HB3 ALA 36 HB3 ALA 36 10.339 28.738 -41.378 273 H ILE 37 HN ILE 37 9.794 26.353 -42.161 274 HA ILE 37 HA ILE 37 11.950 25.434 -43.813 275 HB ILE 37 HB ILE 37 10.247 24.069 -41.723 276 HG12 ILE 37 HG12 ILE 37 13.183 24.818 -41.694 277 HG13 ILE 37 HG11 ILE 37 11.918 25.885 -41.083 278 HG21 ILE 37 HG21 ILE 37 12.059 22.292 -41.851 279 HG22 ILE 37 HG22 ILE 37 12.566 23.032 -43.369 280 HG23 ILE 37 HG23 ILE 37 10.954 22.333 -43.225 281 HD11 ILE 37 HD11 ILE 37 12.423 23.055 -40.118 282 HD12 ILE 37 HD12 ILE 37 11.204 24.163 -39.487 283 HD13 ILE 37 HD13 ILE 37 12.918 24.520 -39.269 284 H LEU 38 HN LEU 38 8.511 24.539 -43.542 285 HA LEU 38 HA LEU 38 8.516 22.483 -45.440 286 HB2 LEU 38 HB2 LEU 38 6.616 22.926 -43.942 287 HB3 LEU 38 HB1 LEU 38 6.298 24.441 -44.785 288 HG LEU 38 HG LEU 38 5.941 23.158 -46.894 289 HD11 LEU 38 HD11 LEU 38 7.257 21.190 -46.519 290 HD12 LEU 38 HD12 LEU 38 5.578 20.654 -46.578 291 HD13 LEU 38 HD13 LEU 38 6.397 20.821 -45.025 292 HD21 LEU 38 HD21 LEU 38 3.990 23.730 -45.582 293 HD22 LEU 38 HD22 LEU 38 4.276 22.381 -44.482 294 HD23 LEU 38 HD23 LEU 38 3.788 22.072 -46.148 295 H SER 39 HN SER 39 7.939 25.957 -45.825 296 HA SER 39 HA SER 39 7.274 26.102 -48.491 297 HB2 SER 39 HB2 SER 39 9.023 27.978 -46.891 298 HB3 SER 39 HB1 SER 39 8.346 28.358 -48.472 299 HG SER 39 HG SER 39 7.194 28.510 -46.068 300 H SER 40 HN SER 40 10.377 25.381 -47.070 301 HA SER 40 HA SER 40 11.763 25.652 -49.632 302 HB2 SER 40 HB2 SER 40 12.760 24.859 -46.888 303 HB3 SER 40 HB1 SER 40 13.776 25.038 -48.315 304 HG SER 40 HG SER 40 13.567 26.921 -46.871 305 H THR 41 HN THR 41 9.665 23.638 -49.315 306 HA THR 41 HA THR 41 10.798 21.062 -48.941 307 HB THR 41 HB THR 41 8.377 21.494 -48.797 308 HG1 THR 41 HG1 THR 41 9.087 19.749 -50.916 309 HG21 THR 41 HG21 THR 41 7.067 21.997 -50.740 310 HG22 THR 41 HG22 THR 41 8.449 21.759 -51.809 311 HG23 THR 41 HG23 THR 41 8.402 23.149 -50.725 312 H ASN 42 HN ASN 42 11.264 23.306 -51.425 313 HA ASN 42 HA ASN 42 11.525 21.388 -53.578 314 HB2 ASN 42 HB2 ASN 42 12.201 23.277 -54.923 315 HB3 ASN 42 HB1 ASN 42 10.808 23.749 -53.951 316 HD21 ASN 42 HD21 ASN 42 12.422 25.807 -54.883 317 HD22 ASN 42 HD22 ASN 42 13.337 26.457 -53.609 318 H VAL 43 HN VAL 43 13.321 21.652 -50.940 319 HA VAL 43 HA VAL 43 15.952 21.795 -52.189 320 HB VAL 43 HB VAL 43 15.327 22.772 -49.892 321 HG11 VAL 43 HG11 VAL 43 15.830 19.933 -48.979 322 HG12 VAL 43 HG12 VAL 43 14.202 20.569 -49.208 323 HG13 VAL 43 HG13 VAL 43 15.277 21.306 -48.021 324 HG21 VAL 43 HG21 VAL 43 17.694 20.886 -49.873 325 HG22 VAL 43 HG22 VAL 43 17.556 22.467 -49.106 326 HG23 VAL 43 HG23 VAL 43 17.668 22.346 -50.862 327 H GLY 44 HN GLY 44 13.883 19.551 -52.606 328 HA2 GLY 44 HA2 GLY 44 14.749 17.402 -53.430 329 HA3 GLY 44 HA1 GLY 44 15.721 17.322 -51.966 330 H SER 45 HN SER 45 13.208 18.535 -50.574 331 HA SER 45 HA SER 45 12.008 15.928 -49.983 332 HB2 SER 45 HB2 SER 45 11.038 17.075 -48.033 333 HB3 SER 45 HB1 SER 45 12.785 17.286 -48.093 334 HG SER 45 HG SER 45 12.478 19.339 -48.916 335 H ASN 46 HN ASN 46 11.419 17.388 -52.476 336 HA ASN 46 HA ASN 46 8.652 18.268 -52.105 337 HB2 ASN 46 HB2 ASN 46 8.763 19.007 -54.403 338 HB3 ASN 46 HB1 ASN 46 10.218 19.551 -53.569 339 HD21 ASN 46 HD21 ASN 46 10.369 19.360 -56.337 340 HD22 ASN 46 HD22 ASN 46 11.312 18.020 -56.780 341 H THR 47 HN THR 47 9.598 15.408 -51.836 342 HA THR 47 HA THR 47 8.225 14.110 -54.072 343 HB THR 47 HB THR 47 9.414 12.684 -51.706 344 HG1 THR 47 HG1 THR 47 11.389 12.790 -52.718 345 HG21 THR 47 HG21 THR 47 8.225 11.267 -53.220 346 HG22 THR 47 HG22 THR 47 9.936 11.050 -53.590 347 HG23 THR 47 HG23 THR 47 8.932 12.065 -54.625 348 H TYR 48 HN TYR 48 6.780 15.753 -52.074 349 HA TYR 48 HA TYR 48 4.998 13.655 -50.987 350 HB2 TYR 48 HB2 TYR 48 4.525 15.015 -49.113 351 HB3 TYR 48 HB1 TYR 48 6.272 15.134 -49.320 352 HD1 TYR 48 HD1 TYR 48 3.276 16.981 -48.934 353 HD2 TYR 48 HD2 TYR 48 7.087 17.087 -50.913 354 HE1 TYR 48 HE1 TYR 48 3.079 19.440 -49.182 355 HE2 TYR 48 HE2 TYR 48 6.889 19.546 -51.162 356 HH TYR 48 HH TYR 48 5.191 21.258 -51.197 357 H GLY 49 HN GLY 49 5.016 15.072 -53.637 358 HA2 GLY 49 HA2 GLY 49 3.122 17.049 -53.922 359 HA3 GLY 49 HA1 GLY 49 3.381 15.773 -55.107 360 H LYS 50 HN LYS 50 1.146 17.167 -53.081 361 HA LYS 50 HA LYS 50 -0.370 14.927 -52.217 362 HB2 LYS 50 HB2 LYS 50 -1.108 17.821 -52.679 363 HB3 LYS 50 HB1 LYS 50 -2.218 16.634 -51.994 364 HG2 LYS 50 HG2 LYS 50 -0.496 16.146 -50.226 365 HG3 LYS 50 HG1 LYS 50 0.457 17.489 -50.856 366 HD2 LYS 50 HD2 LYS 50 -2.417 17.783 -49.950 367 HD3 LYS 50 HD1 LYS 50 -1.036 18.076 -48.893 368 HE2 LYS 50 HE2 LYS 50 -1.585 19.499 -51.515 369 HE3 LYS 50 HE1 LYS 50 -1.813 20.182 -49.906 370 HZ1 LYS 50 HZ1 LYS 50 0.629 19.588 -49.564 371 HZ2 LYS 50 HZ2 LYS 50 0.273 20.927 -50.548 372 HZ3 LYS 50 HZ3 LYS 50 0.708 19.443 -51.252 373 H ARG 51 HN ARG 51 -0.312 16.820 -55.178 374 HA ARG 51 HA ARG 51 -2.737 15.940 -56.303 375 HB2 ARG 51 HB2 ARG 51 -1.887 16.745 -58.391 376 HB3 ARG 51 HB1 ARG 51 -1.282 17.828 -57.137 377 HG2 ARG 51 HG2 ARG 51 0.836 16.462 -57.086 378 HG3 ARG 51 HG1 ARG 51 0.233 15.579 -58.489 379 HD2 ARG 51 HD2 ARG 51 0.043 17.731 -59.723 380 HD3 ARG 51 HD1 ARG 51 0.737 18.564 -58.335 381 HE ARG 51 HE ARG 51 2.156 16.945 -60.269 382 HH11 ARG 51 HH11 ARG 51 2.142 18.237 -57.029 383 HH12 ARG 51 HH12 ARG 51 3.861 18.153 -56.862 384 HH21 ARG 51 HH21 ARG 51 4.399 16.850 -60.023 385 HH22 ARG 51 HH22 ARG 51 5.133 17.373 -58.544 386 H ASN 52 HN ASN 52 0.173 14.234 -55.705 387 HA ASN 52 HA ASN 52 -0.181 12.301 -57.836 388 HB2 ASN 52 HB2 ASN 52 2.037 13.044 -56.678 389 HB3 ASN 52 HB1 ASN 52 1.578 11.873 -55.442 390 HD21 ASN 52 HD21 ASN 52 1.484 9.592 -56.068 391 HD22 ASN 52 HD22 ASN 52 2.207 9.049 -57.505 392 H ALA 53 HN ALA 53 -1.158 12.704 -54.528 393 HA ALA 53 HA ALA 53 -1.630 10.038 -53.793 394 HB1 ALA 53 HB1 ALA 53 -3.226 10.982 -52.163 395 HB2 ALA 53 HB2 ALA 53 -3.136 12.537 -52.989 396 HB3 ALA 53 HB3 ALA 53 -1.709 11.881 -52.188 397 H VAL 54 HN VAL 54 -3.693 12.378 -55.483 398 HA VAL 54 HA VAL 54 -5.911 10.544 -55.672 399 HB VAL 54 HB VAL 54 -5.993 13.128 -55.664 400 HG11 VAL 54 HG11 VAL 54 -5.604 12.694 -58.634 401 HG12 VAL 54 HG12 VAL 54 -4.310 13.252 -57.575 402 HG13 VAL 54 HG13 VAL 54 -5.765 14.227 -57.777 403 HG21 VAL 54 HG21 VAL 54 -8.042 13.093 -56.985 404 HG22 VAL 54 HG22 VAL 54 -7.919 11.581 -56.086 405 HG23 VAL 54 HG23 VAL 54 -7.526 11.619 -57.804 406 H GLU 55 HN GLU 55 -3.145 11.383 -57.641 407 HA GLU 55 HA GLU 55 -4.068 10.351 -60.111 408 HB2 GLU 55 HB2 GLU 55 -2.037 11.816 -59.742 409 HB3 GLU 55 HB1 GLU 55 -1.205 10.381 -59.145 410 HG2 GLU 55 HG2 GLU 55 -2.609 10.312 -61.804 411 HG3 GLU 55 HG1 GLU 55 -0.995 11.006 -61.677 412 H VAL 56 HN VAL 56 -2.198 8.864 -57.469 413 HA VAL 56 HA VAL 56 -2.037 6.312 -58.770 414 HB VAL 56 HB VAL 56 -0.378 7.051 -57.092 415 HG11 VAL 56 HG11 VAL 56 -2.050 8.206 -55.614 416 HG12 VAL 56 HG12 VAL 56 -0.958 7.134 -54.739 417 HG13 VAL 56 HG13 VAL 56 -2.609 6.620 -55.084 418 HG21 VAL 56 HG21 VAL 56 -0.183 4.923 -55.976 419 HG22 VAL 56 HG22 VAL 56 -0.892 4.612 -57.560 420 HG23 VAL 56 HG23 VAL 56 -1.915 4.625 -56.124 421 H LEU 57 HN LEU 57 -4.186 7.786 -56.394 422 HA LEU 57 HA LEU 57 -5.569 5.621 -55.409 423 HB2 LEU 57 HB2 LEU 57 -6.014 8.442 -55.641 424 HB3 LEU 57 HB1 LEU 57 -7.511 7.590 -56.017 425 HG LEU 57 HG LEU 57 -6.965 6.170 -53.906 426 HD11 LEU 57 HD11 LEU 57 -4.636 7.204 -53.759 427 HD12 LEU 57 HD12 LEU 57 -5.566 7.200 -52.260 428 HD13 LEU 57 HD13 LEU 57 -5.427 8.681 -53.207 429 HD21 LEU 57 HD21 LEU 57 -8.866 7.658 -53.958 430 HD22 LEU 57 HD22 LEU 57 -7.826 9.075 -53.813 431 HD23 LEU 57 HD23 LEU 57 -8.001 7.968 -52.452 432 H LYS 58 HN LYS 58 -6.278 7.373 -58.442 433 HA LYS 58 HA LYS 58 -8.445 5.735 -59.200 434 HB2 LYS 58 HB2 LYS 58 -6.563 7.473 -60.803 435 HB3 LYS 58 HB1 LYS 58 -7.926 6.620 -61.530 436 HG2 LYS 58 HG2 LYS 58 -8.307 8.390 -59.117 437 HG3 LYS 58 HG1 LYS 58 -8.316 9.059 -60.749 438 HD2 LYS 58 HD2 LYS 58 -10.102 7.433 -61.369 439 HD3 LYS 58 HD1 LYS 58 -10.138 6.875 -59.696 440 HE2 LYS 58 HE2 LYS 58 -10.609 9.749 -60.533 441 HE3 LYS 58 HE1 LYS 58 -11.898 8.589 -60.212 442 HZ1 LYS 58 HZ1 LYS 58 -9.849 9.578 -58.311 443 HZ2 LYS 58 HZ2 LYS 58 -10.872 8.263 -57.981 444 HZ3 LYS 58 HZ3 LYS 58 -11.527 9.810 -58.232 445 H ARG 59 HN ARG 59 -4.976 5.545 -59.856 446 HA ARG 59 HA ARG 59 -5.127 3.339 -61.654 447 HB2 ARG 59 HB2 ARG 59 -3.190 5.020 -61.277 448 HB3 ARG 59 HB1 ARG 59 -2.725 3.953 -59.952 449 HG2 ARG 59 HG2 ARG 59 -3.354 2.516 -62.435 450 HG3 ARG 59 HG1 ARG 59 -1.984 3.616 -62.590 451 HD2 ARG 59 HD2 ARG 59 -0.945 2.598 -60.593 452 HD3 ARG 59 HD1 ARG 59 -2.308 1.491 -60.452 453 HE ARG 59 HE ARG 59 -1.234 1.245 -63.042 454 HH11 ARG 59 HH11 ARG 59 -0.369 0.633 -59.719 455 HH12 ARG 59 HH12 ARG 59 0.671 -0.692 -60.110 456 HH21 ARG 59 HH21 ARG 59 0.126 -0.496 -63.522 457 HH22 ARG 59 HH22 ARG 59 0.952 -1.329 -62.248 458 H GLU 60 HN GLU 60 -5.247 3.621 -58.209 459 HA GLU 60 HA GLU 60 -4.915 0.692 -57.951 460 HB2 GLU 60 HB2 GLU 60 -4.503 2.869 -55.888 461 HB3 GLU 60 HB1 GLU 60 -4.374 1.138 -55.574 462 HG2 GLU 60 HG2 GLU 60 -2.699 2.690 -57.570 463 HG3 GLU 60 HG1 GLU 60 -2.153 2.141 -55.987 464 HA PRO 61 HA PRO 61 -9.375 1.737 -57.105 465 HB2 PRO 61 HB2 PRO 61 -10.361 -0.445 -58.454 466 HB3 PRO 61 HB1 PRO 61 -10.060 1.132 -59.208 467 HG2 PRO 61 HG2 PRO 61 -8.413 -1.343 -59.270 468 HG3 PRO 61 HG1 PRO 61 -8.723 -0.157 -60.550 469 HD2 PRO 61 HD2 PRO 61 -6.395 -0.214 -59.122 470 HD3 PRO 61 HD1 PRO 61 -7.071 1.282 -59.806 471 H LEU 62 HN LEU 62 -7.192 -0.729 -56.326 472 HA LEU 62 HA LEU 62 -8.840 -2.647 -55.086 473 HB2 LEU 62 HB2 LEU 62 -6.386 -2.904 -55.586 474 HB3 LEU 62 HB1 LEU 62 -6.056 -1.840 -54.218 475 HG LEU 62 HG LEU 62 -7.919 -4.054 -53.632 476 HD11 LEU 62 HD11 LEU 62 -6.205 -5.058 -55.226 477 HD12 LEU 62 HD12 LEU 62 -6.272 -5.798 -53.626 478 HD13 LEU 62 HD13 LEU 62 -4.979 -4.665 -54.021 479 HD21 LEU 62 HD21 LEU 62 -6.292 -4.204 -51.660 480 HD22 LEU 62 HD22 LEU 62 -7.159 -2.677 -51.827 481 HD23 LEU 62 HD23 LEU 62 -5.479 -2.799 -52.350 482 H ASN 63 HN ASN 63 -7.364 0.337 -53.854 483 HA ASN 63 HA ASN 63 -8.021 0.085 -51.160 484 HB2 ASN 63 HB2 ASN 63 -7.855 2.506 -51.040 485 HB3 ASN 63 HB1 ASN 63 -6.603 1.889 -52.117 486 HD21 ASN 63 HD21 ASN 63 -7.759 4.605 -52.197 487 HD22 ASN 63 HD22 ASN 63 -8.483 4.770 -53.723 488 H TYR 64 HN TYR 64 -10.056 0.725 -53.899 489 HA TYR 64 HA TYR 64 -12.272 1.812 -52.419 490 HB2 TYR 64 HB2 TYR 64 -11.910 2.221 -54.851 491 HB3 TYR 64 HB1 TYR 64 -12.265 0.520 -55.155 492 HD1 TYR 64 HD1 TYR 64 -13.680 3.648 -53.696 493 HD2 TYR 64 HD2 TYR 64 -14.497 -0.263 -55.272 494 HE1 TYR 64 HE1 TYR 64 -16.109 4.147 -53.673 495 HE2 TYR 64 HE2 TYR 64 -16.926 0.236 -55.250 496 HH TYR 64 HH TYR 64 -18.279 2.700 -53.542 497 H LEU 65 HN LEU 65 -11.528 -1.370 -53.831 498 HA LEU 65 HA LEU 65 -13.910 -2.611 -52.881 499 HB2 LEU 65 HB2 LEU 65 -11.270 -3.782 -53.791 500 HB3 LEU 65 HB1 LEU 65 -12.721 -4.730 -53.470 501 HG LEU 65 HG LEU 65 -12.643 -2.432 -55.440 502 HD11 LEU 65 HD11 LEU 65 -12.592 -4.214 -57.182 503 HD12 LEU 65 HD12 LEU 65 -12.350 -5.415 -55.913 504 HD13 LEU 65 HD13 LEU 65 -11.121 -4.186 -56.210 505 HD21 LEU 65 HD21 LEU 65 -14.709 -3.697 -56.271 506 HD22 LEU 65 HD22 LEU 65 -14.881 -2.882 -54.718 507 HD23 LEU 65 HD23 LEU 65 -14.623 -4.625 -54.774 508 HA PRO 66 HA PRO 66 -13.112 -3.589 -48.664 509 HB2 PRO 66 HB2 PRO 66 -13.421 -6.484 -49.320 510 HB3 PRO 66 HB1 PRO 66 -14.272 -5.503 -48.111 511 HG2 PRO 66 HG2 PRO 66 -15.454 -6.241 -50.376 512 HG3 PRO 66 HG1 PRO 66 -15.757 -4.656 -49.643 513 HD2 PRO 66 HD2 PRO 66 -14.123 -5.337 -52.050 514 HD3 PRO 66 HD1 PRO 66 -15.074 -3.876 -51.706 515 H LEU 67 HN LEU 67 -11.341 -3.991 -47.402 516 HA LEU 67 HA LEU 67 -9.183 -5.662 -48.535 517 HB2 LEU 67 HB2 LEU 67 -9.123 -2.856 -48.203 518 HB3 LEU 67 HB1 LEU 67 -8.107 -3.533 -46.930 519 HG LEU 67 HG LEU 67 -7.899 -4.350 -49.839 520 HD11 LEU 67 HD11 LEU 67 -6.393 -2.260 -48.248 521 HD12 LEU 67 HD12 LEU 67 -7.278 -2.034 -49.757 522 HD13 LEU 67 HD13 LEU 67 -5.773 -2.954 -49.746 523 HD21 LEU 67 HD21 LEU 67 -7.077 -5.952 -48.104 524 HD22 LEU 67 HD22 LEU 67 -6.005 -4.692 -47.492 525 HD23 LEU 67 HD23 LEU 67 -5.778 -5.328 -49.121 Start of MODEL 4 1 H1 THR 1 HT1 THR 1 -3.646 -4.083 -1.111 2 H2 THR 1 HT2 THR 1 -3.392 -2.484 -0.597 3 H3 THR 1 HT3 THR 1 -4.243 -3.572 0.392 4 HA THR 1 HA THR 1 -2.393 -4.640 1.103 5 HB THR 1 HB THR 1 -1.797 -4.596 -1.633 6 HG1 THR 1 HG1 THR 1 -1.478 -6.372 -0.380 7 HG21 THR 1 HG21 THR 1 0.524 -3.910 -1.784 8 HG22 THR 1 HG22 THR 1 0.554 -3.485 -0.076 9 HG23 THR 1 HG23 THR 1 -0.425 -2.544 -1.204 10 HA PRO 2 HA PRO 2 -0.696 -1.077 3.068 11 HB2 PRO 2 HB2 PRO 2 1.659 -2.007 4.084 12 HB3 PRO 2 HB1 PRO 2 0.074 -2.479 4.727 13 HG2 PRO 2 HG2 PRO 2 1.901 -3.965 2.911 14 HG3 PRO 2 HG1 PRO 2 0.885 -4.565 4.233 15 HD2 PRO 2 HD2 PRO 2 0.204 -4.776 1.573 16 HD3 PRO 2 HD1 PRO 2 -0.983 -4.738 2.895 17 H ILE 3 HN ILE 3 0.969 0.561 2.998 18 HA ILE 3 HA ILE 3 1.906 1.252 0.498 19 HB ILE 3 HB ILE 3 1.804 2.765 2.482 20 HG12 ILE 3 HG12 ILE 3 3.993 3.936 1.954 21 HG13 ILE 3 HG11 ILE 3 4.406 2.553 0.942 22 HG21 ILE 3 HG21 ILE 3 2.895 1.124 4.045 23 HG22 ILE 3 HG22 ILE 3 3.609 2.735 4.102 24 HG23 ILE 3 HG23 ILE 3 4.426 1.439 3.229 25 HD11 ILE 3 HD11 ILE 3 1.827 4.093 0.591 26 HD12 ILE 3 HD12 ILE 3 2.574 2.956 -0.532 27 HD13 ILE 3 HD13 ILE 3 3.311 4.534 -0.254 28 H GLU 4 HN GLU 4 3.696 0.851 -0.703 29 HA GLU 4 HA GLU 4 5.170 -1.515 -0.277 30 HB2 GLU 4 HB2 GLU 4 6.528 -0.790 -2.176 31 HB3 GLU 4 HB1 GLU 4 4.820 -0.492 -2.503 32 HG2 GLU 4 HG2 GLU 4 5.107 1.864 -1.793 33 HG3 GLU 4 HG1 GLU 4 6.821 1.561 -1.515 34 H SER 5 HN SER 5 7.695 -1.395 -0.410 35 HA SER 5 HA SER 5 8.600 -0.349 2.079 36 HB2 SER 5 HB2 SER 5 10.750 -1.249 1.469 37 HB3 SER 5 HB1 SER 5 9.517 -2.391 0.942 38 HG SER 5 HG SER 5 11.201 -1.824 -0.631 39 H HIS 6 HN HIS 6 10.626 1.024 2.205 40 HA HIS 6 HA HIS 6 10.136 3.600 1.289 41 HB2 HIS 6 HB2 HIS 6 12.377 4.143 2.016 42 HB3 HIS 6 HB1 HIS 6 11.693 2.975 3.147 43 HD1 HIS 6 HD1 HIS 6 14.179 3.245 0.318 44 HD2 HIS 6 HD2 HIS 6 12.986 0.468 3.189 45 HE1 HIS 6 HE1 HIS 6 15.870 1.361 0.238 46 HE2 HIS 6 HE2 HIS 6 15.157 -0.340 1.984 47 H GLN 7 HN GLN 7 11.673 0.931 -0.317 48 HA GLN 7 HA GLN 7 13.122 2.372 -2.281 49 HB2 GLN 7 HB2 GLN 7 13.495 -0.023 -1.814 50 HB3 GLN 7 HB1 GLN 7 11.897 -0.392 -2.462 51 HG2 GLN 7 HG2 GLN 7 12.540 0.485 -4.649 52 HG3 GLN 7 HG1 GLN 7 14.113 0.970 -4.018 53 HE21 GLN 7 HE21 GLN 7 12.884 -1.323 -5.954 54 HE22 GLN 7 HE22 GLN 7 13.856 -2.650 -5.534 55 H VAL 8 HN VAL 8 12.504 3.328 -4.132 56 HA VAL 8 HA VAL 8 9.766 2.850 -5.123 57 HB VAL 8 HB VAL 8 9.773 4.934 -3.791 58 HG11 VAL 8 HG11 VAL 8 12.208 5.434 -4.232 59 HG12 VAL 8 HG12 VAL 8 11.137 6.818 -4.449 60 HG13 VAL 8 HG13 VAL 8 11.748 5.946 -5.855 61 HG21 VAL 8 HG21 VAL 8 8.285 4.748 -5.740 62 HG22 VAL 8 HG22 VAL 8 9.573 5.330 -6.795 63 HG23 VAL 8 HG23 VAL 8 8.874 6.403 -5.582 64 H GLU 9 HN GLU 9 9.538 2.881 -7.325 65 HA GLU 9 HA GLU 9 11.765 3.767 -8.996 66 HB2 GLU 9 HB2 GLU 9 11.409 1.451 -10.244 67 HB3 GLU 9 HB1 GLU 9 12.554 1.605 -8.911 68 HG2 GLU 9 HG2 GLU 9 11.036 -0.384 -8.703 69 HG3 GLU 9 HG1 GLU 9 10.934 0.725 -7.338 70 H LYS 10 HN LYS 10 11.195 3.869 -11.271 71 HA LYS 10 HA LYS 10 8.524 4.817 -11.653 72 HB2 LYS 10 HB2 LYS 10 9.215 5.189 -13.978 73 HB3 LYS 10 HB1 LYS 10 10.438 5.788 -12.858 74 HG2 LYS 10 HG2 LYS 10 11.622 3.555 -13.129 75 HG3 LYS 10 HG1 LYS 10 10.501 3.213 -14.447 76 HD2 LYS 10 HD2 LYS 10 11.244 5.224 -15.635 77 HD3 LYS 10 HD1 LYS 10 12.330 5.626 -14.305 78 HE2 LYS 10 HE2 LYS 10 12.482 3.082 -15.948 79 HE3 LYS 10 HE1 LYS 10 13.515 4.492 -16.180 80 HZ1 LYS 10 HZ1 LYS 10 13.338 2.777 -13.767 81 HZ2 LYS 10 HZ2 LYS 10 14.187 4.248 -13.818 82 HZ3 LYS 10 HZ3 LYS 10 14.666 2.951 -14.807 83 H ARG 11 HN ARG 11 6.772 3.750 -12.303 84 HA ARG 11 HA ARG 11 7.047 1.286 -13.845 85 HB2 ARG 11 HB2 ARG 11 5.158 0.359 -12.210 86 HB3 ARG 11 HB1 ARG 11 6.867 0.103 -11.892 87 HG2 ARG 11 HG2 ARG 11 5.950 0.840 -9.830 88 HG3 ARG 11 HG1 ARG 11 6.768 2.255 -10.470 89 HD2 ARG 11 HD2 ARG 11 3.868 1.795 -11.107 90 HD3 ARG 11 HD1 ARG 11 4.320 2.465 -9.546 91 HE ARG 11 HE ARG 11 4.464 3.805 -12.104 92 HH11 ARG 11 HH11 ARG 11 5.690 3.652 -8.841 93 HH12 ARG 11 HH12 ARG 11 6.186 5.309 -8.825 94 HH21 ARG 11 HH21 ARG 11 5.124 5.965 -12.053 95 HH22 ARG 11 HH22 ARG 11 5.870 6.612 -10.629 96 H LYS 12 HN LYS 12 6.262 3.241 -15.214 97 HA LYS 12 HA LYS 12 3.403 3.754 -14.959 98 HB2 LYS 12 HB2 LYS 12 3.695 5.390 -16.655 99 HB3 LYS 12 HB1 LYS 12 5.128 5.508 -15.634 100 HG2 LYS 12 HG2 LYS 12 6.284 3.933 -17.251 101 HG3 LYS 12 HG1 LYS 12 4.894 4.128 -18.319 102 HD2 LYS 12 HD2 LYS 12 6.374 5.775 -19.097 103 HD3 LYS 12 HD1 LYS 12 5.317 6.682 -18.014 104 HE2 LYS 12 HE2 LYS 12 7.588 7.303 -17.488 105 HE3 LYS 12 HE1 LYS 12 7.003 6.281 -16.175 106 HZ1 LYS 12 HZ1 LYS 12 9.263 5.720 -17.040 107 HZ2 LYS 12 HZ2 LYS 12 8.526 5.234 -18.492 108 HZ3 LYS 12 HZ3 LYS 12 8.161 4.430 -17.040 109 H CYS 13 HN CYS 13 1.840 3.000 -16.280 110 HA CYS 13 HA CYS 13 0.833 1.231 -17.427 111 HB2 CYS 13 HB2 CYS 13 2.490 2.807 -19.379 112 HB3 CYS 13 HB1 CYS 13 1.429 1.505 -19.916 113 H ASN 14 HN ASN 14 1.889 -0.570 -16.360 114 HA ASN 14 HA ASN 14 4.033 -1.819 -17.955 115 HB2 ASN 14 HB2 ASN 14 4.396 -3.236 -15.943 116 HB3 ASN 14 HB1 ASN 14 4.620 -1.518 -15.618 117 HD21 ASN 14 HD21 ASN 14 3.841 -1.195 -13.519 118 HD22 ASN 14 HD22 ASN 14 2.338 -1.747 -12.955 119 H THR 15 HN THR 15 1.186 -1.822 -18.694 120 HA THR 15 HA THR 15 0.891 -4.712 -18.988 121 HB THR 15 HB THR 15 -0.381 -4.146 -16.930 122 HG1 THR 15 HG1 THR 15 -1.694 -5.612 -17.606 123 HG21 THR 15 HG21 THR 15 -2.369 -2.723 -17.111 124 HG22 THR 15 HG22 THR 15 -2.011 -2.417 -18.811 125 HG23 THR 15 HG23 THR 15 -0.928 -1.811 -17.559 126 H ALA 16 HN ALA 16 -0.410 -5.312 -20.760 127 HA ALA 16 HA ALA 16 -0.340 -3.577 -22.974 128 HB1 ALA 16 HB1 ALA 16 -1.847 -6.144 -22.465 129 HB2 ALA 16 HB2 ALA 16 -0.353 -5.926 -23.377 130 HB3 ALA 16 HB3 ALA 16 -1.875 -5.308 -24.017 131 H THR 17 HN THR 17 -2.663 -3.929 -20.438 132 HA THR 17 HA THR 17 -5.006 -3.079 -21.721 133 HB THR 17 HB THR 17 -4.108 -2.580 -18.873 134 HG1 THR 17 HG1 THR 17 -5.760 -4.586 -20.007 135 HG21 THR 17 HG21 THR 17 -6.560 -2.384 -18.449 136 HG22 THR 17 HG22 THR 17 -6.833 -2.439 -20.190 137 HG23 THR 17 HG23 THR 17 -5.939 -1.095 -19.480 138 H CYS 18 HN CYS 18 -2.318 -1.243 -20.341 139 HA CYS 18 HA CYS 18 -3.442 1.322 -20.456 140 HB2 CYS 18 HB2 CYS 18 -1.329 0.863 -19.306 141 HB3 CYS 18 HB1 CYS 18 -0.556 0.496 -20.848 142 H ALA 19 HN ALA 19 -1.625 -0.501 -22.908 143 HA ALA 19 HA ALA 19 -1.539 1.526 -24.857 144 HB1 ALA 19 HB1 ALA 19 -0.117 -0.357 -25.157 145 HB2 ALA 19 HB2 ALA 19 -1.297 -0.434 -26.466 146 HB3 ALA 19 HB3 ALA 19 -1.470 -1.484 -25.059 147 H THR 20 HN THR 20 -3.950 -0.963 -24.165 148 HA THR 20 HA THR 20 -5.575 -0.618 -26.420 149 HB THR 20 HB THR 20 -6.362 -1.405 -23.607 150 HG1 THR 20 HG1 THR 20 -5.420 -3.187 -24.123 151 HG21 THR 20 HG21 THR 20 -7.781 -1.693 -26.268 152 HG22 THR 20 HG22 THR 20 -8.325 -0.756 -24.877 153 HG23 THR 20 HG23 THR 20 -8.273 -2.516 -24.787 154 H GLN 21 HN GLN 21 -5.819 0.955 -23.213 155 HA GLN 21 HA GLN 21 -8.049 2.568 -24.020 156 HB2 GLN 21 HB2 GLN 21 -8.122 3.299 -21.846 157 HB3 GLN 21 HB1 GLN 21 -7.227 1.798 -21.621 158 HG2 GLN 21 HG2 GLN 21 -5.101 3.187 -21.923 159 HG3 GLN 21 HG1 GLN 21 -6.128 4.610 -21.762 160 HE21 GLN 21 HE21 GLN 21 -4.438 4.656 -19.765 161 HE22 GLN 21 HE22 GLN 21 -5.050 3.993 -18.327 162 H ARG 22 HN ARG 22 -4.560 3.019 -23.995 163 HA ARG 22 HA ARG 22 -4.763 5.870 -24.470 164 HB2 ARG 22 HB2 ARG 22 -2.465 5.945 -24.285 165 HB3 ARG 22 HB1 ARG 22 -2.830 4.525 -23.312 166 HG2 ARG 22 HG2 ARG 22 -1.187 3.613 -24.626 167 HG3 ARG 22 HG1 ARG 22 -2.546 3.321 -25.702 168 HD2 ARG 22 HD2 ARG 22 -1.463 4.536 -27.260 169 HD3 ARG 22 HD1 ARG 22 -1.742 5.953 -26.253 170 HE ARG 22 HE ARG 22 0.491 5.881 -25.618 171 HH11 ARG 22 HH11 ARG 22 -0.436 2.879 -27.133 172 HH12 ARG 22 HH12 ARG 22 1.182 2.272 -27.190 173 HH21 ARG 22 HH21 ARG 22 2.595 5.060 -25.703 174 HH22 ARG 22 HH22 ARG 22 2.889 3.496 -26.386 175 H LEU 23 HN LEU 23 -4.707 2.992 -26.382 176 HA LEU 23 HA LEU 23 -3.802 4.220 -28.812 177 HB2 LEU 23 HB2 LEU 23 -3.578 1.803 -28.445 178 HB3 LEU 23 HB1 LEU 23 -5.332 1.645 -28.357 179 HG LEU 23 HG LEU 23 -5.500 2.520 -30.685 180 HD11 LEU 23 HD11 LEU 23 -3.515 3.856 -30.863 181 HD12 LEU 23 HD12 LEU 23 -3.318 2.521 -31.999 182 HD13 LEU 23 HD13 LEU 23 -2.482 2.489 -30.446 183 HD21 LEU 23 HD21 LEU 23 -4.786 0.490 -31.758 184 HD22 LEU 23 HD22 LEU 23 -5.279 0.053 -30.122 185 HD23 LEU 23 HD23 LEU 23 -3.567 0.194 -30.519 186 H ALA 24 HN ALA 24 -6.980 3.324 -27.491 187 HA ALA 24 HA ALA 24 -8.548 4.050 -29.685 188 HB1 ALA 24 HB1 ALA 24 -9.268 4.282 -26.755 189 HB2 ALA 24 HB2 ALA 24 -9.389 2.809 -27.716 190 HB3 ALA 24 HB3 ALA 24 -10.400 4.200 -28.105 191 H ASN 25 HN ASN 25 -7.455 6.027 -26.924 192 HA ASN 25 HA ASN 25 -8.837 8.378 -27.655 193 HB2 ASN 25 HB2 ASN 25 -6.347 7.902 -26.016 194 HB3 ASN 25 HB1 ASN 25 -7.057 9.501 -26.231 195 HD21 ASN 25 HD21 ASN 25 -6.921 8.198 -23.655 196 HD22 ASN 25 HD22 ASN 25 -8.510 7.874 -23.156 197 H PHE 26 HN PHE 26 -5.589 7.190 -28.434 198 HA PHE 26 HA PHE 26 -4.730 9.511 -29.824 199 HB2 PHE 26 HB2 PHE 26 -3.183 7.784 -28.962 200 HB3 PHE 26 HB1 PHE 26 -3.804 6.649 -30.161 201 HD1 PHE 26 HD1 PHE 26 -2.083 9.928 -29.752 202 HD2 PHE 26 HD2 PHE 26 -3.049 6.698 -32.415 203 HE1 PHE 26 HE1 PHE 26 -0.521 10.853 -31.441 204 HE2 PHE 26 HE2 PHE 26 -1.486 7.623 -34.104 205 HZ PHE 26 HZ PHE 26 -0.222 9.701 -33.617 206 H LEU 27 HN LEU 27 -6.423 6.581 -30.817 207 HA LEU 27 HA LEU 27 -6.207 6.859 -33.590 208 HB2 LEU 27 HB2 LEU 27 -7.039 4.821 -32.548 209 HB3 LEU 27 HB1 LEU 27 -8.422 5.677 -31.889 210 HG LEU 27 HG LEU 27 -8.678 4.227 -34.062 211 HD11 LEU 27 HD11 LEU 27 -9.874 6.981 -34.279 212 HD12 LEU 27 HD12 LEU 27 -10.313 5.925 -32.936 213 HD13 LEU 27 HD13 LEU 27 -10.612 5.412 -34.595 214 HD21 LEU 27 HD21 LEU 27 -6.742 5.567 -35.149 215 HD22 LEU 27 HD22 LEU 27 -7.946 6.830 -35.398 216 HD23 LEU 27 HD23 LEU 27 -8.173 5.241 -36.123 217 H VAL 28 HN VAL 28 -9.026 7.752 -31.567 218 HA VAL 28 HA VAL 28 -10.446 9.128 -33.503 219 HB VAL 28 HB VAL 28 -11.578 10.266 -31.627 220 HG11 VAL 28 HG11 VAL 28 -11.992 7.834 -32.275 221 HG12 VAL 28 HG12 VAL 28 -12.469 8.277 -30.636 222 HG13 VAL 28 HG13 VAL 28 -10.970 7.389 -30.908 223 HG21 VAL 28 HG21 VAL 28 -9.463 8.914 -29.920 224 HG22 VAL 28 HG22 VAL 28 -10.807 9.896 -29.339 225 HG23 VAL 28 HG23 VAL 28 -9.509 10.641 -30.271 226 H HIS 29 HN HIS 29 -7.544 10.068 -31.895 227 HA HIS 29 HA HIS 29 -7.931 12.898 -32.562 228 HB2 HIS 29 HB2 HIS 29 -7.070 12.422 -30.333 229 HB3 HIS 29 HB1 HIS 29 -5.733 11.500 -31.023 230 HD1 HIS 29 HD1 HIS 29 -7.151 15.039 -31.167 231 HD2 HIS 29 HD2 HIS 29 -3.512 13.050 -31.596 232 HE1 HIS 29 HE1 HIS 29 -5.386 16.831 -31.464 233 HE2 HIS 29 HE2 HIS 29 -3.162 15.634 -31.727 234 H SER 30 HN SER 30 -6.368 10.067 -33.761 235 HA SER 30 HA SER 30 -4.575 11.660 -35.480 236 HB2 SER 30 HB2 SER 30 -3.554 9.833 -34.157 237 HB3 SER 30 HB1 SER 30 -4.628 8.682 -34.947 238 HG SER 30 HG SER 30 -3.285 8.678 -36.551 239 H SER 31 HN SER 31 -7.607 11.096 -35.756 240 HA SER 31 HA SER 31 -8.100 9.363 -37.875 241 HB2 SER 31 HB2 SER 31 -9.905 10.434 -36.638 242 HB3 SER 31 HB1 SER 31 -9.421 12.013 -37.248 243 HG SER 31 HG SER 31 -10.696 9.887 -38.534 244 H ASN 32 HN ASN 32 -7.371 12.844 -38.012 245 HA ASN 32 HA ASN 32 -7.390 13.247 -40.738 246 HB2 ASN 32 HB2 ASN 32 -5.565 14.971 -40.285 247 HB3 ASN 32 HB1 ASN 32 -7.048 15.141 -39.349 248 HD21 ASN 32 HD21 ASN 32 -3.688 15.049 -39.049 249 HD22 ASN 32 HD22 ASN 32 -3.593 14.666 -37.398 250 H ASN 33 HN ASN 33 -4.589 12.233 -38.785 251 HA ASN 33 HA ASN 33 -2.795 11.869 -40.931 252 HB2 ASN 33 HB2 ASN 33 -2.940 10.604 -38.191 253 HB3 ASN 33 HB1 ASN 33 -1.618 10.309 -39.318 254 HD21 ASN 33 HD21 ASN 33 -0.644 12.504 -40.239 255 HD22 ASN 33 HD22 ASN 33 -0.422 13.734 -39.091 256 H PHE 34 HN PHE 34 -5.084 9.622 -39.399 257 HA PHE 34 HA PHE 34 -4.328 7.289 -40.730 258 HB2 PHE 34 HB2 PHE 34 -5.925 7.306 -38.872 259 HB3 PHE 34 HB1 PHE 34 -7.101 8.153 -39.877 260 HD1 PHE 34 HD1 PHE 34 -4.954 5.075 -39.918 261 HD2 PHE 34 HD2 PHE 34 -8.663 6.904 -41.083 262 HE1 PHE 34 HE1 PHE 34 -5.735 2.908 -40.835 263 HE2 PHE 34 HE2 PHE 34 -9.443 4.736 -42.001 264 HZ PHE 34 HZ PHE 34 -7.979 2.738 -41.876 265 H GLY 35 HN GLY 35 -6.764 9.719 -41.673 266 HA2 GLY 35 HA2 GLY 35 -7.517 8.479 -44.092 267 HA3 GLY 35 HA1 GLY 35 -7.745 10.181 -43.710 268 H ALA 36 HN ALA 36 -5.073 10.924 -43.342 269 HA ALA 36 HA ALA 36 -4.265 11.538 -45.966 270 HB1 ALA 36 HB1 ALA 36 -3.454 13.008 -44.356 271 HB2 ALA 36 HB2 ALA 36 -2.021 12.052 -44.736 272 HB3 ALA 36 HB3 ALA 36 -2.949 11.708 -43.277 273 H ILE 37 HN ILE 37 -3.071 9.073 -43.695 274 HA ILE 37 HA ILE 37 -1.028 8.110 -45.446 275 HB ILE 37 HB ILE 37 -2.346 6.931 -42.997 276 HG12 ILE 37 HG12 ILE 37 0.476 7.946 -43.426 277 HG13 ILE 37 HG11 ILE 37 -0.829 8.973 -42.831 278 HG21 ILE 37 HG21 ILE 37 -0.362 5.338 -43.082 279 HG22 ILE 37 HG22 ILE 37 -0.117 5.867 -44.747 280 HG23 ILE 37 HG23 ILE 37 -1.612 5.050 -44.293 281 HD11 ILE 37 HD11 ILE 37 0.293 6.483 -41.527 282 HD12 ILE 37 HD12 ILE 37 -1.209 7.248 -41.007 283 HD13 ILE 37 HD13 ILE 37 0.315 8.129 -40.896 284 H LEU 38 HN LEU 38 -4.303 6.945 -44.657 285 HA LEU 38 HA LEU 38 -4.225 4.633 -46.258 286 HB2 LEU 38 HB2 LEU 38 -5.957 5.039 -44.554 287 HB3 LEU 38 HB1 LEU 38 -6.606 6.357 -45.527 288 HG LEU 38 HG LEU 38 -7.019 4.734 -47.382 289 HD11 LEU 38 HD11 LEU 38 -5.403 3.026 -46.938 290 HD12 LEU 38 HD12 LEU 38 -6.979 2.281 -46.669 291 HD13 LEU 38 HD13 LEU 38 -5.999 2.794 -45.294 292 HD21 LEU 38 HD21 LEU 38 -8.883 5.229 -45.954 293 HD22 LEU 38 HD22 LEU 38 -8.253 4.200 -44.668 294 HD23 LEU 38 HD23 LEU 38 -8.866 3.477 -46.154 295 H SER 39 HN SER 39 -5.276 7.937 -46.975 296 HA SER 39 HA SER 39 -6.319 7.598 -49.512 297 HB2 SER 39 HB2 SER 39 -4.702 9.907 -48.419 298 HB3 SER 39 HB1 SER 39 -5.620 9.961 -49.922 299 HG SER 39 HG SER 39 -6.492 10.378 -47.472 300 H SER 40 HN SER 40 -3.016 7.407 -48.471 301 HA SER 40 HA SER 40 -1.971 7.607 -51.193 302 HB2 SER 40 HB2 SER 40 -0.607 7.149 -48.532 303 HB3 SER 40 HB1 SER 40 0.234 7.267 -50.075 304 HG SER 40 HG SER 40 -1.372 9.230 -48.799 305 H THR 41 HN THR 41 -3.787 5.442 -50.645 306 HA THR 41 HA THR 41 -2.160 3.047 -50.383 307 HB THR 41 HB THR 41 -4.372 3.027 -49.381 308 HG1 THR 41 HG1 THR 41 -3.766 1.063 -50.187 309 HG21 THR 41 HG21 THR 41 -6.369 3.091 -50.970 310 HG22 THR 41 HG22 THR 41 -5.264 3.746 -52.178 311 HG23 THR 41 HG23 THR 41 -5.562 4.633 -50.684 312 H ASN 42 HN ASN 42 -1.206 4.447 -52.502 313 HA ASN 42 HA ASN 42 -2.445 3.621 -54.973 314 HB2 ASN 42 HB2 ASN 42 -0.576 4.705 -56.050 315 HB3 ASN 42 HB1 ASN 42 -1.130 5.731 -54.727 316 HD21 ASN 42 HD21 ASN 42 1.503 6.067 -55.622 317 HD22 ASN 42 HD22 ASN 42 2.582 5.462 -54.460 318 H VAL 43 HN VAL 43 -0.798 1.873 -52.719 319 HA VAL 43 HA VAL 43 1.103 0.443 -54.250 320 HB VAL 43 HB VAL 43 0.977 0.463 -51.749 321 HG11 VAL 43 HG11 VAL 43 -1.260 -1.540 -52.147 322 HG12 VAL 43 HG12 VAL 43 -1.541 0.149 -51.724 323 HG13 VAL 43 HG13 VAL 43 -0.652 -0.901 -50.620 324 HG21 VAL 43 HG21 VAL 43 0.888 -2.225 -53.153 325 HG22 VAL 43 HG22 VAL 43 1.488 -1.980 -51.513 326 HG23 VAL 43 HG23 VAL 43 2.318 -1.231 -52.878 327 H GLY 44 HN GLY 44 -2.355 0.248 -53.993 328 HA2 GLY 44 HA2 GLY 44 -3.472 -0.816 -55.927 329 HA3 GLY 44 HA1 GLY 44 -2.324 -2.139 -55.746 330 H SER 45 HN SER 45 -3.595 -0.661 -52.884 331 HA SER 45 HA SER 45 -5.228 -3.077 -52.406 332 HB2 SER 45 HB2 SER 45 -4.900 -2.600 -50.004 333 HB3 SER 45 HB1 SER 45 -3.366 -2.826 -50.839 334 HG SER 45 HG SER 45 -3.304 -0.499 -51.029 335 H ASN 46 HN ASN 46 -6.049 -0.608 -53.830 336 HA ASN 46 HA ASN 46 -7.976 0.583 -51.966 337 HB2 ASN 46 HB2 ASN 46 -8.349 2.248 -53.672 338 HB3 ASN 46 HB1 ASN 46 -6.609 2.036 -53.480 339 HD21 ASN 46 HD21 ASN 46 -7.589 3.086 -55.907 340 HD22 ASN 46 HD22 ASN 46 -7.388 1.933 -57.136 341 H THR 47 HN THR 47 -8.172 -2.206 -53.021 342 HA THR 47 HA THR 47 -10.513 -2.080 -54.768 343 HB THR 47 HB THR 47 -9.365 -4.607 -53.619 344 HG1 THR 47 HG1 THR 47 -8.406 -3.186 -55.876 345 HG21 THR 47 HG21 THR 47 -11.367 -4.886 -54.908 346 HG22 THR 47 HG22 THR 47 -10.028 -5.384 -55.943 347 HG23 THR 47 HG23 THR 47 -10.778 -3.804 -56.170 348 H TYR 48 HN TYR 48 -10.518 -1.179 -51.890 349 HA TYR 48 HA TYR 48 -12.679 -2.963 -50.939 350 HB2 TYR 48 HB2 TYR 48 -12.046 -2.425 -48.662 351 HB3 TYR 48 HB1 TYR 48 -10.626 -3.023 -49.520 352 HD1 TYR 48 HD1 TYR 48 -12.143 -0.186 -47.824 353 HD2 TYR 48 HD2 TYR 48 -8.921 -1.397 -50.393 354 HE1 TYR 48 HE1 TYR 48 -10.945 1.926 -47.318 355 HE2 TYR 48 HE2 TYR 48 -7.723 0.714 -49.887 356 HH TYR 48 HH TYR 48 -8.839 3.280 -48.951 357 H GLY 49 HN GLY 49 -12.701 -0.492 -52.669 358 HA2 GLY 49 HA2 GLY 49 -13.617 1.761 -51.306 359 HA3 GLY 49 HA1 GLY 49 -14.073 1.332 -52.952 360 H LYS 50 HN LYS 50 -15.657 2.503 -50.722 361 HA LYS 50 HA LYS 50 -17.459 0.608 -49.662 362 HB2 LYS 50 HB2 LYS 50 -17.731 3.566 -50.212 363 HB3 LYS 50 HB1 LYS 50 -18.976 2.619 -49.396 364 HG2 LYS 50 HG2 LYS 50 -17.250 1.898 -47.723 365 HG3 LYS 50 HG1 LYS 50 -16.110 3.005 -48.489 366 HD2 LYS 50 HD2 LYS 50 -18.803 3.947 -47.503 367 HD3 LYS 50 HD1 LYS 50 -17.400 3.887 -46.437 368 HE2 LYS 50 HE2 LYS 50 -17.356 5.308 -49.108 369 HE3 LYS 50 HE1 LYS 50 -17.799 6.118 -47.607 370 HZ1 LYS 50 HZ1 LYS 50 -15.330 4.558 -47.616 371 HZ2 LYS 50 HZ2 LYS 50 -15.697 6.007 -46.810 372 HZ3 LYS 50 HZ3 LYS 50 -15.321 6.025 -48.467 373 H ARG 51 HN ARG 51 -17.437 2.431 -52.684 374 HA ARG 51 HA ARG 51 -20.065 1.758 -53.511 375 HB2 ARG 51 HB2 ARG 51 -19.430 2.593 -55.663 376 HB3 ARG 51 HB1 ARG 51 -18.623 3.601 -54.462 377 HG2 ARG 51 HG2 ARG 51 -16.586 2.142 -54.710 378 HG3 ARG 51 HG1 ARG 51 -17.400 1.323 -56.044 379 HD2 ARG 51 HD2 ARG 51 -17.626 3.497 -57.215 380 HD3 ARG 51 HD1 ARG 51 -16.755 4.282 -55.901 381 HE ARG 51 HE ARG 51 -15.615 2.646 -58.000 382 HH11 ARG 51 HH11 ARG 51 -15.228 3.892 -54.764 383 HH12 ARG 51 HH12 ARG 51 -13.505 3.747 -54.788 384 HH21 ARG 51 HH21 ARG 51 -13.364 2.469 -58.001 385 HH22 ARG 51 HH22 ARG 51 -12.454 2.946 -56.607 386 H ASN 52 HN ASN 52 -17.162 -0.075 -53.363 387 HA ASN 52 HA ASN 52 -17.758 -1.905 -55.489 388 HB2 ASN 52 HB2 ASN 52 -15.462 -1.557 -54.633 389 HB3 ASN 52 HB1 ASN 52 -15.946 -2.260 -53.091 390 HD21 ASN 52 HD21 ASN 52 -15.767 -4.508 -52.916 391 HD22 ASN 52 HD22 ASN 52 -15.543 -5.559 -54.229 392 H ALA 53 HN ALA 53 -18.687 -1.592 -52.158 393 HA ALA 53 HA ALA 53 -19.360 -4.230 -51.524 394 HB1 ALA 53 HB1 ALA 53 -21.021 -3.173 -49.953 395 HB2 ALA 53 HB2 ALA 53 -20.602 -1.613 -50.662 396 HB3 ALA 53 HB3 ALA 53 -19.377 -2.551 -49.808 397 H VAL 54 HN VAL 54 -21.212 -1.735 -53.232 398 HA VAL 54 HA VAL 54 -23.568 -3.367 -53.459 399 HB VAL 54 HB VAL 54 -23.253 -0.734 -53.606 400 HG11 VAL 54 HG11 VAL 54 -23.331 -1.501 -56.532 401 HG12 VAL 54 HG12 VAL 54 -21.841 -1.032 -55.714 402 HG13 VAL 54 HG13 VAL 54 -23.175 0.113 -55.838 403 HG21 VAL 54 HG21 VAL 54 -25.444 -0.635 -54.714 404 HG22 VAL 54 HG22 VAL 54 -25.395 -1.989 -53.585 405 HG23 VAL 54 HG23 VAL 54 -25.228 -2.278 -55.317 406 H GLU 55 HN GLU 55 -20.694 -2.824 -55.402 407 HA GLU 55 HA GLU 55 -21.626 -3.857 -57.848 408 HB2 GLU 55 HB2 GLU 55 -19.460 -2.623 -57.451 409 HB3 GLU 55 HB1 GLU 55 -18.816 -4.115 -56.766 410 HG2 GLU 55 HG2 GLU 55 -20.117 -4.146 -59.477 411 HG3 GLU 55 HG1 GLU 55 -18.445 -3.615 -59.311 412 H VAL 56 HN VAL 56 -19.942 -5.479 -55.151 413 HA VAL 56 HA VAL 56 -20.070 -8.061 -56.369 414 HB VAL 56 HB VAL 56 -18.373 -7.523 -54.678 415 HG11 VAL 56 HG11 VAL 56 -20.646 -7.545 -52.675 416 HG12 VAL 56 HG12 VAL 56 -19.914 -6.067 -53.298 417 HG13 VAL 56 HG13 VAL 56 -18.946 -7.202 -52.359 418 HG21 VAL 56 HG21 VAL 56 -18.550 -9.588 -53.407 419 HG22 VAL 56 HG22 VAL 56 -19.173 -9.877 -55.031 420 HG23 VAL 56 HG23 VAL 56 -20.290 -9.654 -53.685 421 H LEU 57 HN LEU 57 -22.060 -6.352 -53.989 422 HA LEU 57 HA LEU 57 -23.730 -8.349 -53.093 423 HB2 LEU 57 HB2 LEU 57 -23.821 -5.472 -53.283 424 HB3 LEU 57 HB1 LEU 57 -25.414 -6.157 -53.610 425 HG LEU 57 HG LEU 57 -24.937 -7.646 -51.522 426 HD11 LEU 57 HD11 LEU 57 -22.518 -6.838 -51.447 427 HD12 LEU 57 HD12 LEU 57 -23.397 -6.756 -49.920 428 HD13 LEU 57 HD13 LEU 57 -23.147 -5.293 -50.874 429 HD21 LEU 57 HD21 LEU 57 -26.594 -5.724 -51.758 430 HD22 LEU 57 HD22 LEU 57 -25.354 -4.681 -51.062 431 HD23 LEU 57 HD23 LEU 57 -26.012 -6.018 -50.120 432 H LYS 58 HN LYS 58 -24.337 -6.315 -55.976 433 HA LYS 58 HA LYS 58 -26.597 -7.788 -56.810 434 HB2 LYS 58 HB2 LYS 58 -24.733 -5.924 -58.285 435 HB3 LYS 58 HB1 LYS 58 -26.154 -6.647 -59.040 436 HG2 LYS 58 HG2 LYS 58 -26.342 -5.136 -56.431 437 HG3 LYS 58 HG1 LYS 58 -26.458 -4.317 -57.988 438 HD2 LYS 58 HD2 LYS 58 -28.297 -5.932 -58.608 439 HD3 LYS 58 HD1 LYS 58 -28.259 -6.517 -56.944 440 HE2 LYS 58 HE2 LYS 58 -28.710 -3.622 -57.719 441 HE3 LYS 58 HE1 LYS 58 -30.002 -4.758 -57.330 442 HZ1 LYS 58 HZ1 LYS 58 -27.752 -4.099 -55.509 443 HZ2 LYS 58 HZ2 LYS 58 -29.117 -5.044 -55.146 444 HZ3 LYS 58 HZ3 LYS 58 -29.285 -3.377 -55.429 445 H ARG 59 HN ARG 59 -23.165 -8.100 -57.444 446 HA ARG 59 HA ARG 59 -23.290 -9.893 -59.624 447 HB2 ARG 59 HB2 ARG 59 -21.254 -8.624 -58.812 448 HB3 ARG 59 HB1 ARG 59 -21.124 -9.816 -57.519 449 HG2 ARG 59 HG2 ARG 59 -21.469 -10.953 -60.226 450 HG3 ARG 59 HG1 ARG 59 -19.949 -10.097 -59.967 451 HD2 ARG 59 HD2 ARG 59 -19.518 -11.453 -57.958 452 HD3 ARG 59 HD1 ARG 59 -21.043 -12.301 -58.195 453 HE ARG 59 HE ARG 59 -19.470 -12.507 -60.542 454 HH11 ARG 59 HH11 ARG 59 -19.620 -13.636 -57.246 455 HH12 ARG 59 HH12 ARG 59 -18.802 -15.119 -57.591 456 HH21 ARG 59 HH21 ARG 59 -18.403 -14.453 -60.965 457 HH22 ARG 59 HH22 ARG 59 -18.115 -15.582 -59.683 458 H GLU 60 HN GLU 60 -23.410 -10.377 -56.135 459 HA GLU 60 HA GLU 60 -23.765 -13.277 -56.599 460 HB2 GLU 60 HB2 GLU 60 -21.797 -12.599 -55.200 461 HB3 GLU 60 HB1 GLU 60 -22.930 -11.921 -54.030 462 HG2 GLU 60 HG2 GLU 60 -23.999 -14.124 -53.773 463 HG3 GLU 60 HG1 GLU 60 -22.885 -14.808 -54.956 464 HA PRO 61 HA PRO 61 -27.843 -11.563 -55.143 465 HB2 PRO 61 HB2 PRO 61 -29.343 -13.082 -56.870 466 HB3 PRO 61 HB1 PRO 61 -28.715 -11.471 -57.262 467 HG2 PRO 61 HG2 PRO 61 -27.684 -14.147 -58.044 468 HG3 PRO 61 HG1 PRO 61 -27.752 -12.643 -58.977 469 HD2 PRO 61 HD2 PRO 61 -25.456 -13.557 -57.805 470 HD3 PRO 61 HD1 PRO 61 -25.786 -11.831 -58.073 471 H LEU 62 HN LEU 62 -26.289 -14.591 -55.233 472 HA LEU 62 HA LEU 62 -28.288 -16.330 -54.295 473 HB2 LEU 62 HB2 LEU 62 -25.961 -16.951 -55.106 474 HB3 LEU 62 HB1 LEU 62 -25.371 -16.459 -53.518 475 HG LEU 62 HG LEU 62 -27.710 -18.264 -53.472 476 HD11 LEU 62 HD11 LEU 62 -26.522 -19.280 -55.336 477 HD12 LEU 62 HD12 LEU 62 -26.261 -20.267 -53.897 478 HD13 LEU 62 HD13 LEU 62 -24.993 -19.179 -54.462 479 HD21 LEU 62 HD21 LEU 62 -26.422 -19.263 -51.639 480 HD22 LEU 62 HD22 LEU 62 -26.451 -17.509 -51.461 481 HD23 LEU 62 HD23 LEU 62 -25.009 -18.308 -52.088 482 H ASN 63 HN ASN 63 -26.051 -14.191 -52.563 483 HA ASN 63 HA ASN 63 -26.542 -14.937 -49.948 484 HB2 ASN 63 HB2 ASN 63 -25.848 -12.732 -49.298 485 HB3 ASN 63 HB1 ASN 63 -24.916 -13.182 -50.724 486 HD21 ASN 63 HD21 ASN 63 -25.861 -10.444 -49.660 487 HD22 ASN 63 HD22 ASN 63 -26.623 -9.732 -51.000 488 H TYR 64 HN TYR 64 -28.591 -13.168 -52.156 489 HA TYR 64 HA TYR 64 -30.454 -12.242 -50.164 490 HB2 TYR 64 HB2 TYR 64 -30.198 -11.101 -52.337 491 HB3 TYR 64 HB1 TYR 64 -30.789 -12.545 -53.159 492 HD1 TYR 64 HD1 TYR 64 -31.718 -9.956 -50.638 493 HD2 TYR 64 HD2 TYR 64 -33.111 -12.980 -53.353 494 HE1 TYR 64 HE1 TYR 64 -34.055 -9.218 -50.262 495 HE2 TYR 64 HE2 TYR 64 -35.448 -12.242 -52.976 496 HH TYR 64 HH TYR 64 -36.484 -10.600 -50.528 497 H LEU 65 HN LEU 65 -30.394 -14.943 -52.483 498 HA LEU 65 HA LEU 65 -32.951 -15.946 -51.731 499 HB2 LEU 65 HB2 LEU 65 -30.610 -17.267 -53.124 500 HB3 LEU 65 HB1 LEU 65 -32.205 -17.999 -52.954 501 HG LEU 65 HG LEU 65 -31.757 -15.290 -54.231 502 HD11 LEU 65 HD11 LEU 65 -32.173 -16.577 -56.383 503 HD12 LEU 65 HD12 LEU 65 -31.906 -18.055 -55.459 504 HD13 LEU 65 HD13 LEU 65 -30.608 -16.873 -55.626 505 HD21 LEU 65 HD21 LEU 65 -34.038 -15.908 -55.217 506 HD22 LEU 65 HD22 LEU 65 -34.021 -15.551 -53.491 507 HD23 LEU 65 HD23 LEU 65 -34.081 -17.224 -54.045 508 HA PRO 66 HA PRO 66 -32.251 -18.191 -48.009 509 HB2 PRO 66 HB2 PRO 66 -33.161 -20.681 -49.374 510 HB3 PRO 66 HB1 PRO 66 -33.770 -19.918 -47.893 511 HG2 PRO 66 HG2 PRO 66 -35.119 -19.787 -50.184 512 HG3 PRO 66 HG1 PRO 66 -35.093 -18.436 -49.037 513 HD2 PRO 66 HD2 PRO 66 -33.674 -18.713 -51.651 514 HD3 PRO 66 HD1 PRO 66 -34.311 -17.255 -50.858 515 H LEU 67 HN LEU 67 -30.588 -19.296 -47.043 516 HA LEU 67 HA LEU 67 -28.863 -20.980 -48.745 517 HB2 LEU 67 HB2 LEU 67 -28.182 -18.416 -47.849 518 HB3 LEU 67 HB1 LEU 67 -27.337 -19.519 -46.763 519 HG LEU 67 HG LEU 67 -27.285 -19.781 -49.780 520 HD11 LEU 67 HD11 LEU 67 -25.190 -18.589 -47.938 521 HD12 LEU 67 HD12 LEU 67 -26.237 -17.653 -49.006 522 HD13 LEU 67 HD13 LEU 67 -25.060 -18.776 -49.687 523 HD21 LEU 67 HD21 LEU 67 -26.833 -21.829 -48.421 524 HD22 LEU 67 HD22 LEU 67 -25.528 -20.966 -47.607 525 HD23 LEU 67 HD23 LEU 67 -25.421 -21.299 -49.336 Start of MODEL 5 1 H1 THR 1 HT1 THR 1 -3.840 -4.468 0.469 2 H2 THR 1 HT2 THR 1 -3.273 -3.540 -0.837 3 H3 THR 1 HT3 THR 1 -3.486 -2.824 0.689 4 HA THR 1 HA THR 1 -1.816 -4.832 1.288 5 HB THR 1 HB THR 1 -1.788 -4.676 -1.503 6 HG1 THR 1 HG1 THR 1 0.124 -5.993 -1.179 7 HG21 THR 1 HG21 THR 1 0.401 -3.821 -2.099 8 HG22 THR 1 HG22 THR 1 0.758 -3.440 -0.416 9 HG23 THR 1 HG23 THR 1 -0.492 -2.541 -1.279 10 HA PRO 2 HA PRO 2 0.048 -1.225 3.009 11 HB2 PRO 2 HB2 PRO 2 2.588 -2.055 3.543 12 HB3 PRO 2 HB1 PRO 2 1.175 -2.631 4.448 13 HG2 PRO 2 HG2 PRO 2 2.708 -3.967 2.281 14 HG3 PRO 2 HG1 PRO 2 1.978 -4.655 3.740 15 HD2 PRO 2 HD2 PRO 2 0.840 -4.819 1.231 16 HD3 PRO 2 HD1 PRO 2 -0.084 -4.906 2.746 17 H ILE 3 HN ILE 3 1.443 0.551 2.603 18 HA ILE 3 HA ILE 3 1.973 1.180 -0.056 19 HB ILE 3 HB ILE 3 1.818 2.819 1.821 20 HG12 ILE 3 HG12 ILE 3 3.742 4.253 0.997 21 HG13 ILE 3 HG11 ILE 3 4.277 2.866 0.048 22 HG21 ILE 3 HG21 ILE 3 4.668 1.953 2.390 23 HG22 ILE 3 HG22 ILE 3 3.280 1.492 3.376 24 HG23 ILE 3 HG23 ILE 3 3.746 3.188 3.247 25 HD11 ILE 3 HD11 ILE 3 1.467 3.967 -0.154 26 HD12 ILE 3 HD12 ILE 3 2.286 2.868 -1.264 27 HD13 ILE 3 HD13 ILE 3 2.784 4.557 -1.167 28 H GLU 4 HN GLU 4 3.742 1.044 -1.378 29 HA GLU 4 HA GLU 4 5.532 -1.092 -1.056 30 HB2 GLU 4 HB2 GLU 4 6.669 -0.227 -3.012 31 HB3 GLU 4 HB1 GLU 4 4.930 -0.026 -3.233 32 HG2 GLU 4 HG2 GLU 4 5.144 2.324 -2.406 33 HG3 GLU 4 HG1 GLU 4 6.892 2.107 -2.346 34 H SER 5 HN SER 5 7.591 -1.262 -0.296 35 HA SER 5 HA SER 5 8.522 0.877 1.446 36 HB2 SER 5 HB2 SER 5 10.134 -0.748 2.247 37 HB3 SER 5 HB1 SER 5 8.548 -1.508 2.170 38 HG SER 5 HG SER 5 10.524 -1.647 0.131 39 H HIS 6 HN HIS 6 10.790 1.570 1.398 40 HA HIS 6 HA HIS 6 11.559 2.499 -1.166 41 HB2 HIS 6 HB2 HIS 6 13.495 3.419 -0.064 42 HB3 HIS 6 HB1 HIS 6 12.113 3.611 1.014 43 HD1 HIS 6 HD1 HIS 6 15.248 1.567 0.555 44 HD2 HIS 6 HD2 HIS 6 12.247 2.096 3.399 45 HE1 HIS 6 HE1 HIS 6 16.021 0.362 2.644 46 HE2 HIS 6 HE2 HIS 6 14.201 0.675 4.388 47 H GLN 7 HN GLN 7 12.246 -0.412 0.582 48 HA GLN 7 HA GLN 7 14.693 -1.150 -0.595 49 HB2 GLN 7 HB2 GLN 7 13.709 -2.307 1.352 50 HB3 GLN 7 HB1 GLN 7 12.429 -2.942 0.317 51 HG2 GLN 7 HG2 GLN 7 14.121 -4.081 -1.075 52 HG3 GLN 7 HG1 GLN 7 15.396 -3.459 -0.030 53 HE21 GLN 7 HE21 GLN 7 16.075 -5.020 1.431 54 HE22 GLN 7 HE22 GLN 7 15.073 -6.186 2.151 55 H VAL 8 HN VAL 8 15.223 -2.106 -2.498 56 HA VAL 8 HA VAL 8 13.015 -2.738 -4.361 57 HB VAL 8 HB VAL 8 14.056 -0.610 -5.002 58 HG11 VAL 8 HG11 VAL 8 16.282 -1.188 -3.919 59 HG12 VAL 8 HG12 VAL 8 16.397 -0.442 -5.513 60 HG13 VAL 8 HG13 VAL 8 16.623 -2.182 -5.335 61 HG21 VAL 8 HG21 VAL 8 13.298 -2.303 -6.722 62 HG22 VAL 8 HG22 VAL 8 14.975 -2.834 -6.846 63 HG23 VAL 8 HG23 VAL 8 14.536 -1.187 -7.299 64 H GLU 9 HN GLU 9 13.222 -4.577 -5.550 65 HA GLU 9 HA GLU 9 15.736 -6.102 -5.277 66 HB2 GLU 9 HB2 GLU 9 14.017 -8.135 -5.332 67 HB3 GLU 9 HB1 GLU 9 14.473 -7.355 -3.820 68 HG2 GLU 9 HG2 GLU 9 12.002 -7.658 -4.062 69 HG3 GLU 9 HG1 GLU 9 12.475 -5.972 -3.867 70 H LYS 10 HN LYS 10 15.647 -4.724 -7.451 71 HA LYS 10 HA LYS 10 14.344 -6.313 -9.560 72 HB2 LYS 10 HB2 LYS 10 14.766 -4.410 -11.021 73 HB3 LYS 10 HB1 LYS 10 13.960 -3.859 -9.552 74 HG2 LYS 10 HG2 LYS 10 16.151 -3.210 -8.600 75 HG3 LYS 10 HG1 LYS 10 16.943 -3.730 -10.088 76 HD2 LYS 10 HD2 LYS 10 15.551 -2.092 -11.357 77 HD3 LYS 10 HD1 LYS 10 14.882 -1.521 -9.828 78 HE2 LYS 10 HE2 LYS 10 17.823 -1.495 -10.568 79 HE3 LYS 10 HE1 LYS 10 16.757 -0.091 -10.581 80 HZ1 LYS 10 HZ1 LYS 10 17.401 -1.759 -8.210 81 HZ2 LYS 10 HZ2 LYS 10 16.359 -0.418 -8.219 82 HZ3 LYS 10 HZ3 LYS 10 18.016 -0.211 -8.529 83 H ARG 11 HN ARG 11 15.741 -6.286 -11.672 84 HA ARG 11 HA ARG 11 18.555 -6.851 -11.024 85 HB2 ARG 11 HB2 ARG 11 18.294 -8.810 -12.733 86 HB3 ARG 11 HB1 ARG 11 17.810 -9.052 -11.059 87 HG2 ARG 11 HG2 ARG 11 16.066 -9.943 -12.471 88 HG3 ARG 11 HG1 ARG 11 15.442 -8.471 -11.740 89 HD2 ARG 11 HD2 ARG 11 16.851 -8.079 -14.308 90 HD3 ARG 11 HD1 ARG 11 15.368 -9.019 -14.417 91 HE ARG 11 HE ARG 11 15.548 -6.210 -13.958 92 HH11 ARG 11 HH11 ARG 11 13.744 -9.066 -13.090 93 HH12 ARG 11 HH12 ARG 11 12.292 -8.190 -12.753 94 HH21 ARG 11 HH21 ARG 11 13.637 -5.091 -13.510 95 HH22 ARG 11 HH22 ARG 11 12.229 -5.954 -12.988 96 H LYS 12 HN LYS 12 19.841 -7.183 -13.109 97 HA LYS 12 HA LYS 12 19.552 -4.852 -14.707 98 HB2 LYS 12 HB2 LYS 12 21.426 -5.780 -16.011 99 HB3 LYS 12 HB1 LYS 12 21.739 -5.879 -14.278 100 HG2 LYS 12 HG2 LYS 12 20.993 -8.233 -14.276 101 HG3 LYS 12 HG1 LYS 12 20.691 -8.137 -16.011 102 HD2 LYS 12 HD2 LYS 12 23.038 -7.729 -16.458 103 HD3 LYS 12 HD1 LYS 12 23.389 -7.614 -14.732 104 HE2 LYS 12 HE2 LYS 12 24.015 -9.833 -15.593 105 HE3 LYS 12 HE1 LYS 12 22.689 -9.968 -14.439 106 HZ1 LYS 12 HZ1 LYS 12 22.327 -11.285 -16.460 107 HZ2 LYS 12 HZ2 LYS 12 22.363 -9.862 -17.388 108 HZ3 LYS 12 HZ3 LYS 12 21.131 -10.102 -16.244 109 H CYS 13 HN CYS 13 18.896 -4.601 -16.826 110 HA CYS 13 HA CYS 13 16.727 -6.122 -17.731 111 HB2 CYS 13 HB2 CYS 13 18.428 -3.972 -18.825 112 HB3 CYS 13 HB1 CYS 13 17.631 -4.984 -20.031 113 H ASN 14 HN ASN 14 17.140 -8.305 -17.830 114 HA ASN 14 HA ASN 14 19.093 -9.160 -19.883 115 HB2 ASN 14 HB2 ASN 14 19.320 -11.266 -18.620 116 HB3 ASN 14 HB1 ASN 14 19.794 -9.872 -17.650 117 HD21 ASN 14 HD21 ASN 14 18.672 -9.531 -15.694 118 HD22 ASN 14 HD22 ASN 14 17.316 -10.432 -15.212 119 H THR 15 HN THR 15 15.913 -9.677 -18.440 120 HA THR 15 HA THR 15 15.127 -11.827 -20.122 121 HB THR 15 HB THR 15 14.004 -11.253 -17.976 122 HG1 THR 15 HG1 THR 15 12.947 -12.462 -19.627 123 HG21 THR 15 HG21 THR 15 12.866 -8.947 -19.580 124 HG22 THR 15 HG22 THR 15 14.033 -8.793 -18.269 125 HG23 THR 15 HG23 THR 15 12.408 -9.390 -17.937 126 H ALA 16 HN ALA 16 13.911 -11.857 -21.992 127 HA ALA 16 HA ALA 16 14.387 -9.863 -23.903 128 HB1 ALA 16 HB1 ALA 16 12.360 -12.099 -23.797 129 HB2 ALA 16 HB2 ALA 16 13.900 -12.072 -24.656 130 HB3 ALA 16 HB3 ALA 16 12.566 -11.057 -25.205 131 H THR 17 HN THR 17 12.030 -9.991 -21.404 132 HA THR 17 HA THR 17 9.941 -8.507 -22.590 133 HB THR 17 HB THR 17 10.794 -8.638 -19.688 134 HG1 THR 17 HG1 THR 17 8.781 -10.051 -21.092 135 HG21 THR 17 HG21 THR 17 8.353 -8.053 -19.333 136 HG22 THR 17 HG22 THR 17 8.276 -7.664 -21.052 137 HG23 THR 17 HG23 THR 17 9.343 -6.748 -19.987 138 H CYS 18 HN CYS 18 12.894 -7.530 -20.906 139 HA CYS 18 HA CYS 18 12.348 -4.791 -20.644 140 HB2 CYS 18 HB2 CYS 18 14.246 -5.883 -19.534 141 HB3 CYS 18 HB1 CYS 18 15.013 -6.155 -21.099 142 H ALA 19 HN ALA 19 14.049 -6.530 -23.253 143 HA ALA 19 HA ALA 19 14.452 -4.239 -24.878 144 HB1 ALA 19 HB1 ALA 19 15.621 -6.521 -25.022 145 HB2 ALA 19 HB2 ALA 19 15.197 -5.739 -26.545 146 HB3 ALA 19 HB3 ALA 19 14.201 -7.055 -25.923 147 H THR 20 HN THR 20 11.891 -6.669 -24.717 148 HA THR 20 HA THR 20 10.459 -6.175 -27.002 149 HB THR 20 HB THR 20 9.348 -6.656 -24.229 150 HG1 THR 20 HG1 THR 20 9.397 -8.814 -24.931 151 HG21 THR 20 HG21 THR 20 8.137 -6.990 -26.987 152 HG22 THR 20 HG22 THR 20 7.606 -5.868 -25.733 153 HG23 THR 20 HG23 THR 20 7.417 -7.606 -25.499 154 H GLN 21 HN GLN 21 10.251 -4.343 -23.945 155 HA GLN 21 HA GLN 21 8.241 -2.559 -24.887 156 HB2 GLN 21 HB2 GLN 21 8.354 -1.597 -22.819 157 HB3 GLN 21 HB1 GLN 21 9.184 -3.105 -22.439 158 HG2 GLN 21 HG2 GLN 21 11.353 -1.905 -23.059 159 HG3 GLN 21 HG1 GLN 21 10.418 -0.412 -23.051 160 HE21 GLN 21 HE21 GLN 21 12.524 -1.888 -21.121 161 HE22 GLN 21 HE22 GLN 21 11.849 -1.577 -19.595 162 H ARG 22 HN ARG 22 11.721 -2.620 -25.137 163 HA ARG 22 HA ARG 22 12.041 0.136 -25.835 164 HB2 ARG 22 HB2 ARG 22 13.919 -1.154 -24.959 165 HB3 ARG 22 HB1 ARG 22 13.831 -2.256 -26.331 166 HG2 ARG 22 HG2 ARG 22 15.611 -0.601 -26.684 167 HG3 ARG 22 HG1 ARG 22 14.325 -0.368 -27.865 168 HD2 ARG 22 HD2 ARG 22 15.152 1.763 -26.799 169 HD3 ARG 22 HD1 ARG 22 13.422 1.492 -26.625 170 HE ARG 22 HE ARG 22 13.735 1.265 -24.334 171 HH11 ARG 22 HH11 ARG 22 16.792 1.074 -26.002 172 HH12 ARG 22 HH12 ARG 22 17.723 1.116 -24.545 173 HH21 ARG 22 HH21 ARG 22 14.977 1.316 -22.448 174 HH22 ARG 22 HH22 ARG 22 16.705 1.252 -22.545 175 H LEU 23 HN LEU 23 11.781 -2.878 -27.690 176 HA LEU 23 HA LEU 23 12.190 -1.826 -30.247 177 HB2 LEU 23 HB2 LEU 23 12.125 -4.237 -29.788 178 HB3 LEU 23 HB1 LEU 23 10.405 -4.128 -29.415 179 HG LEU 23 HG LEU 23 9.985 -3.306 -31.732 180 HD11 LEU 23 HD11 LEU 23 12.085 -2.295 -32.296 181 HD12 LEU 23 HD12 LEU 23 11.898 -3.681 -33.371 182 HD13 LEU 23 HD13 LEU 23 12.964 -3.789 -31.970 183 HD21 LEU 23 HD21 LEU 23 10.195 -5.452 -32.785 184 HD22 LEU 23 HD22 LEU 23 9.940 -5.762 -31.068 185 HD23 LEU 23 HD23 LEU 23 11.559 -5.893 -31.757 186 H ALA 24 HN ALA 24 9.155 -2.235 -28.421 187 HA ALA 24 HA ALA 24 7.365 -1.358 -30.353 188 HB1 ALA 24 HB1 ALA 24 7.372 -1.242 -27.354 189 HB2 ALA 24 HB2 ALA 24 6.368 -2.216 -28.427 190 HB3 ALA 24 HB3 ALA 24 6.065 -0.486 -28.265 191 H ASN 25 HN ASN 25 9.185 0.577 -27.975 192 HA ASN 25 HA ASN 25 8.093 3.072 -28.792 193 HB2 ASN 25 HB2 ASN 25 9.245 2.609 -26.598 194 HB3 ASN 25 HB1 ASN 25 10.774 2.605 -27.475 195 HD21 ASN 25 HD21 ASN 25 11.698 4.576 -26.773 196 HD22 ASN 25 HD22 ASN 25 10.948 6.087 -26.962 197 H PHE 26 HN PHE 26 11.003 1.269 -29.679 198 HA PHE 26 HA PHE 26 12.183 3.265 -31.301 199 HB2 PHE 26 HB2 PHE 26 13.382 1.266 -30.436 200 HB3 PHE 26 HB1 PHE 26 12.453 0.262 -31.549 201 HD1 PHE 26 HD1 PHE 26 14.867 3.092 -31.368 202 HD2 PHE 26 HD2 PHE 26 13.036 0.103 -33.850 203 HE1 PHE 26 HE1 PHE 26 16.472 3.617 -33.184 204 HE2 PHE 26 HE2 PHE 26 14.641 0.628 -35.667 205 HZ PHE 26 HZ PHE 26 16.359 2.385 -35.333 206 H LEU 27 HN LEU 27 9.631 0.961 -31.872 207 HA LEU 27 HA LEU 27 9.699 0.868 -34.677 208 HB2 LEU 27 HB2 LEU 27 8.368 -0.691 -33.354 209 HB3 LEU 27 HB1 LEU 27 7.374 0.622 -32.744 210 HG LEU 27 HG LEU 27 6.515 -0.887 -34.716 211 HD11 LEU 27 HD11 LEU 27 6.214 2.073 -35.183 212 HD12 LEU 27 HD12 LEU 27 5.562 1.324 -33.727 213 HD13 LEU 27 HD13 LEU 27 5.009 0.795 -35.313 214 HD21 LEU 27 HD21 LEU 27 7.903 1.213 -36.378 215 HD22 LEU 27 HD22 LEU 27 7.136 -0.282 -36.904 216 HD23 LEU 27 HD23 LEU 27 8.672 -0.337 -36.043 217 H VAL 28 HN VAL 28 7.497 2.798 -32.617 218 HA VAL 28 HA VAL 28 6.619 4.432 -34.768 219 HB VAL 28 HB VAL 28 5.550 5.794 -33.015 220 HG11 VAL 28 HG11 VAL 28 4.645 3.537 -33.801 221 HG12 VAL 28 HG12 VAL 28 4.059 4.099 -32.236 222 HG13 VAL 28 HG13 VAL 28 5.311 2.860 -32.314 223 HG21 VAL 28 HG21 VAL 28 7.002 3.952 -31.088 224 HG22 VAL 28 HG22 VAL 28 5.880 5.243 -30.660 225 HG23 VAL 28 HG23 VAL 28 7.440 5.635 -31.382 226 H HIS 29 HN HIS 29 9.423 4.519 -32.790 227 HA HIS 29 HA HIS 29 9.893 7.365 -33.038 228 HB2 HIS 29 HB2 HIS 29 10.741 6.138 -31.090 229 HB3 HIS 29 HB1 HIS 29 11.733 5.134 -32.147 230 HD1 HIS 29 HD1 HIS 29 11.269 8.832 -31.325 231 HD2 HIS 29 HD2 HIS 29 14.232 6.212 -32.644 232 HE1 HIS 29 HE1 HIS 29 13.409 10.179 -31.457 233 HE2 HIS 29 HE2 HIS 29 15.225 8.596 -32.260 234 H SER 30 HN SER 30 10.999 4.401 -34.614 235 HA SER 30 HA SER 30 12.755 5.902 -36.420 236 HB2 SER 30 HB2 SER 30 13.553 3.796 -35.401 237 HB3 SER 30 HB1 SER 30 12.231 2.934 -36.183 238 HG SER 30 HG SER 30 13.091 3.456 -38.165 239 H SER 31 HN SER 31 9.638 5.839 -36.438 240 HA SER 31 HA SER 31 8.790 4.455 -38.723 241 HB2 SER 31 HB2 SER 31 7.204 5.451 -37.145 242 HB3 SER 31 HB1 SER 31 7.753 7.066 -37.585 243 HG SER 31 HG SER 31 6.015 5.394 -38.854 244 H ASN 32 HN ASN 32 9.931 7.793 -38.358 245 HA ASN 32 HA ASN 32 9.694 8.689 -40.969 246 HB2 ASN 32 HB2 ASN 32 11.841 10.032 -40.398 247 HB3 ASN 32 HB1 ASN 32 10.395 10.309 -39.429 248 HD21 ASN 32 HD21 ASN 32 13.704 9.541 -39.226 249 HD22 ASN 32 HD22 ASN 32 13.720 8.979 -37.624 250 H ASN 33 HN ASN 33 12.576 7.169 -39.526 251 HA ASN 33 HA ASN 33 14.101 6.941 -41.866 252 HB2 ASN 33 HB2 ASN 33 14.024 5.264 -39.358 253 HB3 ASN 33 HB1 ASN 33 15.206 5.021 -40.643 254 HD21 ASN 33 HD21 ASN 33 16.013 5.832 -38.015 255 HD22 ASN 33 HD22 ASN 33 16.618 7.415 -38.111 256 H PHE 34 HN PHE 34 11.782 4.637 -40.447 257 HA PHE 34 HA PHE 34 12.150 2.522 -42.216 258 HB2 PHE 34 HB2 PHE 34 10.762 2.377 -40.197 259 HB3 PHE 34 HB1 PHE 34 9.567 3.442 -40.939 260 HD1 PHE 34 HD1 PHE 34 11.510 0.363 -41.876 261 HD2 PHE 34 HD2 PHE 34 7.727 2.399 -41.904 262 HE1 PHE 34 HE1 PHE 34 10.469 -1.586 -43.001 263 HE2 PHE 34 HE2 PHE 34 6.687 0.450 -43.029 264 HZ PHE 34 HZ PHE 34 8.057 -1.543 -43.578 265 H GLY 35 HN GLY 35 9.720 5.136 -42.475 266 HA2 GLY 35 HA2 GLY 35 8.773 4.330 -45.015 267 HA3 GLY 35 HA1 GLY 35 8.521 5.912 -44.290 268 H ALA 36 HN ALA 36 11.278 6.612 -44.024 269 HA ALA 36 HA ALA 36 11.777 7.788 -46.538 270 HB1 ALA 36 HB1 ALA 36 13.784 8.621 -45.590 271 HB2 ALA 36 HB2 ALA 36 13.886 7.288 -44.439 272 HB3 ALA 36 HB3 ALA 36 12.644 8.526 -44.248 273 H ILE 37 HN ILE 37 13.089 4.884 -44.996 274 HA ILE 37 HA ILE 37 15.007 4.305 -47.025 275 HB ILE 37 HB ILE 37 13.706 2.600 -44.897 276 HG12 ILE 37 HG12 ILE 37 16.565 3.563 -45.177 277 HG13 ILE 37 HG11 ILE 37 15.337 4.466 -44.291 278 HG21 ILE 37 HG21 ILE 37 15.597 0.995 -45.468 279 HG22 ILE 37 HG22 ILE 37 15.823 1.920 -46.953 280 HG23 ILE 37 HG23 ILE 37 14.299 1.082 -46.659 281 HD11 ILE 37 HD11 ILE 37 15.973 1.566 -43.710 282 HD12 ILE 37 HD12 ILE 37 15.022 2.678 -42.727 283 HD13 ILE 37 HD13 ILE 37 16.764 2.904 -42.878 284 H LEU 38 HN LEU 38 11.671 3.188 -46.462 285 HA LEU 38 HA LEU 38 11.637 1.365 -48.631 286 HB2 LEU 38 HB2 LEU 38 9.978 1.298 -46.805 287 HB3 LEU 38 HB1 LEU 38 9.332 2.850 -47.337 288 HG LEU 38 HG LEU 38 8.813 1.826 -49.558 289 HD11 LEU 38 HD11 LEU 38 10.389 0.031 -49.679 290 HD12 LEU 38 HD12 LEU 38 8.802 -0.730 -49.563 291 HD13 LEU 38 HD13 LEU 38 9.844 -0.643 -48.143 292 HD21 LEU 38 HD21 LEU 38 7.013 1.936 -47.972 293 HD22 LEU 38 HD22 LEU 38 7.651 0.567 -47.060 294 HD23 LEU 38 HD23 LEU 38 6.967 0.315 -48.666 295 H SER 39 HN SER 39 10.745 4.768 -48.326 296 HA SER 39 HA SER 39 9.644 5.147 -50.880 297 HB2 SER 39 HB2 SER 39 11.144 7.073 -49.095 298 HB3 SER 39 HB1 SER 39 10.264 7.548 -50.545 299 HG SER 39 HG SER 39 9.154 6.130 -48.346 300 H SER 40 HN SER 40 12.983 5.123 -49.764 301 HA SER 40 HA SER 40 13.968 5.880 -52.412 302 HB2 SER 40 HB2 SER 40 15.454 5.225 -49.858 303 HB3 SER 40 HB1 SER 40 16.191 5.811 -51.347 304 HG SER 40 HG SER 40 14.717 7.642 -51.130 305 H THR 41 HN THR 41 12.518 3.399 -52.184 306 HA THR 41 HA THR 41 14.117 1.122 -51.947 307 HB THR 41 HB THR 41 11.639 1.104 -52.157 308 HG1 THR 41 HG1 THR 41 13.171 -0.399 -54.001 309 HG21 THR 41 HG21 THR 41 10.573 1.431 -54.269 310 HG22 THR 41 HG22 THR 41 12.117 1.468 -55.120 311 HG23 THR 41 HG23 THR 41 11.661 2.802 -54.061 312 H ASN 42 HN ASN 42 14.071 3.547 -54.405 313 HA ASN 42 HA ASN 42 14.957 2.138 -56.643 314 HB2 ASN 42 HB2 ASN 42 15.903 4.278 -57.401 315 HB3 ASN 42 HB1 ASN 42 14.289 4.493 -56.726 316 HD21 ASN 42 HD21 ASN 42 15.889 6.750 -56.776 317 HD22 ASN 42 HD22 ASN 42 16.439 7.121 -55.214 318 H VAL 43 HN VAL 43 16.583 2.749 -53.675 319 HA VAL 43 HA VAL 43 19.255 2.883 -54.386 320 HB VAL 43 HB VAL 43 18.308 3.009 -52.057 321 HG11 VAL 43 HG11 VAL 43 18.444 -0.015 -52.201 322 HG12 VAL 43 HG12 VAL 43 16.940 0.896 -52.331 323 HG13 VAL 43 HG13 VAL 43 17.887 0.967 -50.846 324 HG21 VAL 43 HG21 VAL 43 20.609 1.095 -52.567 325 HG22 VAL 43 HG22 VAL 43 20.276 1.873 -51.019 326 HG23 VAL 43 HG23 VAL 43 20.723 2.849 -52.418 327 H GLY 44 HN GLY 44 17.052 0.209 -54.639 328 HA2 GLY 44 HA2 GLY 44 18.189 -1.340 -56.455 329 HA3 GLY 44 HA1 GLY 44 19.213 -1.718 -55.074 330 H SER 45 HN SER 45 16.577 -1.165 -53.441 331 HA SER 45 HA SER 45 15.731 -3.963 -53.492 332 HB2 SER 45 HB2 SER 45 14.569 -3.405 -51.394 333 HB3 SER 45 HB1 SER 45 16.269 -2.948 -51.325 334 HG SER 45 HG SER 45 15.713 -0.844 -51.595 335 H ASN 46 HN ASN 46 14.968 -2.246 -55.698 336 HA ASN 46 HA ASN 46 12.238 -1.437 -55.367 337 HB2 ASN 46 HB2 ASN 46 12.278 -0.975 -57.724 338 HB3 ASN 46 HB1 ASN 46 13.826 -0.470 -57.050 339 HD21 ASN 46 HD21 ASN 46 13.617 -1.082 -59.816 340 HD22 ASN 46 HD22 ASN 46 14.478 -2.512 -60.126 341 H THR 47 HN THR 47 13.542 -4.480 -55.427 342 HA THR 47 HA THR 47 11.444 -5.696 -57.060 343 HB THR 47 HB THR 47 13.482 -7.211 -55.451 344 HG1 THR 47 HG1 THR 47 13.865 -6.094 -58.026 345 HG21 THR 47 HG21 THR 47 11.843 -8.579 -56.528 346 HG22 THR 47 HG22 THR 47 13.295 -8.676 -57.525 347 HG23 THR 47 HG23 THR 47 11.951 -7.648 -58.022 348 H TYR 48 HN TYR 48 10.846 -4.275 -54.523 349 HA TYR 48 HA TYR 48 9.954 -6.478 -52.796 350 HB2 TYR 48 HB2 TYR 48 9.694 -4.884 -51.075 351 HB3 TYR 48 HB1 TYR 48 11.169 -4.397 -51.908 352 HD1 TYR 48 HD1 TYR 48 7.903 -3.372 -50.850 353 HD2 TYR 48 HD2 TYR 48 10.941 -2.634 -53.795 354 HE1 TYR 48 HE1 TYR 48 6.903 -1.153 -51.326 355 HE2 TYR 48 HE2 TYR 48 9.941 -0.416 -54.271 356 HH TYR 48 HH TYR 48 7.612 0.638 -54.035 357 H GLY 49 HN GLY 49 8.743 -5.535 -55.472 358 HA2 GLY 49 HA2 GLY 49 6.312 -4.269 -55.175 359 HA3 GLY 49 HA1 GLY 49 6.611 -5.548 -56.348 360 H LYS 50 HN LYS 50 5.030 -4.684 -53.446 361 HA LYS 50 HA LYS 50 4.501 -7.378 -52.536 362 HB2 LYS 50 HB2 LYS 50 3.328 -4.705 -51.738 363 HB3 LYS 50 HB1 LYS 50 2.960 -6.235 -50.942 364 HG2 LYS 50 HG2 LYS 50 5.424 -6.527 -50.519 365 HG3 LYS 50 HG1 LYS 50 5.671 -4.896 -51.142 366 HD2 LYS 50 HD2 LYS 50 3.782 -5.522 -48.860 367 HD3 LYS 50 HD1 LYS 50 5.465 -5.055 -48.617 368 HE2 LYS 50 HE2 LYS 50 3.380 -3.414 -50.087 369 HE3 LYS 50 HE1 LYS 50 3.976 -3.094 -48.459 370 HZ1 LYS 50 HZ1 LYS 50 6.271 -3.158 -49.658 371 HZ2 LYS 50 HZ2 LYS 50 5.323 -1.748 -49.695 372 HZ3 LYS 50 HZ3 LYS 50 5.349 -2.793 -51.035 373 H ARG 51 HN ARG 51 3.073 -5.121 -54.737 374 HA ARG 51 HA ARG 51 0.397 -5.964 -54.711 375 HB2 ARG 51 HB2 ARG 51 0.198 -4.913 -56.854 376 HB3 ARG 51 HB1 ARG 51 1.342 -3.954 -55.915 377 HG2 ARG 51 HG2 ARG 51 3.210 -5.249 -57.003 378 HG3 ARG 51 HG1 ARG 51 2.005 -6.004 -58.047 379 HD2 ARG 51 HD2 ARG 51 1.312 -3.762 -58.842 380 HD3 ARG 51 HD1 ARG 51 2.556 -3.031 -57.833 381 HE ARG 51 HE ARG 51 2.955 -4.408 -60.349 382 HH11 ARG 51 HH11 ARG 51 4.397 -3.398 -57.337 383 HH12 ARG 51 HH12 ARG 51 6.007 -3.417 -57.966 384 HH21 ARG 51 HH21 ARG 51 5.069 -4.421 -61.143 385 HH22 ARG 51 HH22 ARG 51 6.389 -3.992 -60.105 386 H ASN 52 HN ASN 52 3.230 -7.587 -55.807 387 HA ASN 52 HA ASN 52 2.135 -9.217 -57.833 388 HB2 ASN 52 HB2 ASN 52 4.579 -8.946 -57.323 389 HB3 ASN 52 HB1 ASN 52 4.341 -9.964 -55.904 390 HD21 ASN 52 HD21 ASN 52 4.576 -12.180 -56.252 391 HD22 ASN 52 HD22 ASN 52 4.506 -12.933 -57.771 392 H ALA 53 HN ALA 53 1.900 -9.319 -54.370 393 HA ALA 53 HA ALA 53 1.306 -11.993 -53.902 394 HB1 ALA 53 HB1 ALA 53 -0.101 -11.093 -51.990 395 HB2 ALA 53 HB2 ALA 53 0.273 -9.477 -52.590 396 HB3 ALA 53 HB3 ALA 53 1.571 -10.534 -52.034 397 H VAL 54 HN VAL 54 -0.774 -9.394 -55.091 398 HA VAL 54 HA VAL 54 -3.155 -11.017 -55.047 399 HB VAL 54 HB VAL 54 -2.844 -8.373 -55.024 400 HG11 VAL 54 HG11 VAL 54 -3.450 -8.903 -57.942 401 HG12 VAL 54 HG12 VAL 54 -1.836 -8.488 -57.369 402 HG13 VAL 54 HG13 VAL 54 -3.165 -7.350 -57.159 403 HG21 VAL 54 HG21 VAL 54 -5.213 -8.248 -55.936 404 HG22 VAL 54 HG22 VAL 54 -4.971 -9.424 -54.645 405 HG23 VAL 54 HG23 VAL 54 -5.072 -9.963 -56.321 406 H GLU 55 HN GLU 55 -0.634 -10.285 -57.366 407 HA GLU 55 HA GLU 55 -1.967 -11.135 -59.712 408 HB2 GLU 55 HB2 GLU 55 0.959 -11.052 -58.959 409 HB3 GLU 55 HB1 GLU 55 0.394 -11.532 -60.559 410 HG2 GLU 55 HG2 GLU 55 -0.281 -8.898 -59.221 411 HG3 GLU 55 HG1 GLU 55 0.985 -9.109 -60.429 412 H VAL 56 HN VAL 56 0.237 -12.917 -57.530 413 HA VAL 56 HA VAL 56 -0.025 -15.385 -58.897 414 HB VAL 56 HB VAL 56 1.839 -14.935 -57.368 415 HG11 VAL 56 HG11 VAL 56 -0.188 -15.182 -55.130 416 HG12 VAL 56 HG12 VAL 56 0.429 -13.637 -55.716 417 HG13 VAL 56 HG13 VAL 56 1.528 -14.804 -54.983 418 HG21 VAL 56 HG21 VAL 56 1.804 -17.091 -56.182 419 HG22 VAL 56 HG22 VAL 56 1.144 -17.273 -57.807 420 HG23 VAL 56 HG23 VAL 56 0.060 -17.203 -56.418 421 H LEU 57 HN LEU 57 -1.776 -13.941 -56.183 422 HA LEU 57 HA LEU 57 -3.268 -16.051 -55.252 423 HB2 LEU 57 HB2 LEU 57 -3.483 -13.179 -55.224 424 HB3 LEU 57 HB1 LEU 57 -5.078 -13.899 -55.443 425 HG LEU 57 HG LEU 57 -4.343 -15.513 -53.527 426 HD11 LEU 57 HD11 LEU 57 -1.960 -14.598 -53.628 427 HD12 LEU 57 HD12 LEU 57 -2.684 -14.677 -52.022 428 HD13 LEU 57 HD13 LEU 57 -2.590 -13.135 -52.873 429 HD21 LEU 57 HD21 LEU 57 -6.090 -13.664 -53.457 430 HD22 LEU 57 HD22 LEU 57 -4.830 -12.607 -52.821 431 HD23 LEU 57 HD23 LEU 57 -5.329 -14.032 -51.909 432 H LYS 58 HN LYS 58 -4.256 -13.871 -57.910 433 HA LYS 58 HA LYS 58 -6.552 -15.343 -58.612 434 HB2 LYS 58 HB2 LYS 58 -4.839 -13.394 -60.157 435 HB3 LYS 58 HB1 LYS 58 -6.298 -14.117 -60.835 436 HG2 LYS 58 HG2 LYS 58 -6.343 -12.741 -58.151 437 HG3 LYS 58 HG1 LYS 58 -6.541 -11.831 -59.648 438 HD2 LYS 58 HD2 LYS 58 -8.419 -13.355 -60.277 439 HD3 LYS 58 HD1 LYS 58 -8.265 -14.139 -58.705 440 HE2 LYS 58 HE2 LYS 58 -8.778 -11.176 -59.078 441 HE3 LYS 58 HE1 LYS 58 -10.040 -12.366 -58.761 442 HZ1 LYS 58 HZ1 LYS 58 -7.700 -11.834 -57.012 443 HZ2 LYS 58 HZ2 LYS 58 -8.940 -12.954 -56.704 444 HZ3 LYS 58 HZ3 LYS 58 -9.281 -11.290 -56.728 445 H ARG 59 HN ARG 59 -3.191 -15.570 -59.601 446 HA ARG 59 HA ARG 59 -3.501 -17.294 -61.810 447 HB2 ARG 59 HB2 ARG 59 -1.405 -16.040 -61.134 448 HB3 ARG 59 HB1 ARG 59 -1.155 -17.281 -59.906 449 HG2 ARG 59 HG2 ARG 59 -1.731 -18.292 -62.629 450 HG3 ARG 59 HG1 ARG 59 -0.185 -17.464 -62.440 451 HD2 ARG 59 HD2 ARG 59 0.301 -18.921 -60.467 452 HD3 ARG 59 HD1 ARG 59 -1.189 -19.801 -60.793 453 HE ARG 59 HE ARG 59 0.319 -19.788 -63.154 454 HH11 ARG 59 HH11 ARG 59 0.511 -21.024 -59.899 455 HH12 ARG 59 HH12 ARG 59 1.464 -22.395 -60.349 456 HH21 ARG 59 HH21 ARG 59 1.564 -21.589 -63.714 457 HH22 ARG 59 HH22 ARG 59 2.058 -22.715 -62.494 458 H GLU 60 HN GLU 60 -3.230 -17.911 -58.344 459 HA GLU 60 HA GLU 60 -3.626 -20.794 -58.860 460 HB2 GLU 60 HB2 GLU 60 -1.587 -19.922 -57.525 461 HB3 GLU 60 HB1 GLU 60 -2.748 -19.632 -56.229 462 HG2 GLU 60 HG2 GLU 60 -3.250 -22.233 -57.308 463 HG3 GLU 60 HG1 GLU 60 -1.525 -22.101 -56.974 464 HA PRO 61 HA PRO 61 -7.629 -19.142 -57.131 465 HB2 PRO 61 HB2 PRO 61 -9.188 -20.819 -58.674 466 HB3 PRO 61 HB1 PRO 61 -8.702 -19.181 -59.150 467 HG2 PRO 61 HG2 PRO 61 -7.573 -21.805 -59.967 468 HG3 PRO 61 HG1 PRO 61 -7.802 -20.325 -60.915 469 HD2 PRO 61 HD2 PRO 61 -5.373 -21.077 -59.939 470 HD3 PRO 61 HD1 PRO 61 -5.829 -19.374 -60.163 471 H LEU 62 HN LEU 62 -6.073 -22.199 -57.341 472 HA LEU 62 HA LEU 62 -7.872 -23.945 -56.148 473 HB2 LEU 62 HB2 LEU 62 -5.469 -24.363 -57.043 474 HB3 LEU 62 HB1 LEU 62 -4.958 -23.957 -55.403 475 HG LEU 62 HG LEU 62 -7.214 -25.871 -55.612 476 HD11 LEU 62 HD11 LEU 62 -5.711 -26.608 -57.453 477 HD12 LEU 62 HD12 LEU 62 -5.745 -27.765 -56.123 478 HD13 LEU 62 HD13 LEU 62 -4.372 -26.674 -56.308 479 HD21 LEU 62 HD21 LEU 62 -6.080 -26.866 -53.712 480 HD22 LEU 62 HD22 LEU 62 -6.091 -25.117 -53.484 481 HD23 LEU 62 HD23 LEU 62 -4.623 -25.924 -54.034 482 H ASN 63 HN ASN 63 -5.695 -21.591 -54.639 483 HA ASN 63 HA ASN 63 -5.952 -22.232 -51.973 484 HB2 ASN 63 HB2 ASN 63 -5.533 -19.879 -51.487 485 HB3 ASN 63 HB1 ASN 63 -4.534 -20.401 -52.842 486 HD21 ASN 63 HD21 ASN 63 -5.494 -17.629 -52.241 487 HD22 ASN 63 HD22 ASN 63 -6.384 -17.150 -53.605 488 H TYR 64 HN TYR 64 -8.312 -20.778 -54.102 489 HA TYR 64 HA TYR 64 -10.114 -19.933 -52.021 490 HB2 TYR 64 HB2 TYR 64 -10.123 -18.882 -54.250 491 HB3 TYR 64 HB1 TYR 64 -10.623 -20.414 -54.967 492 HD1 TYR 64 HD1 TYR 64 -11.629 -17.789 -52.520 493 HD2 TYR 64 HD2 TYR 64 -12.896 -21.099 -54.947 494 HE1 TYR 64 HE1 TYR 64 -13.996 -17.263 -52.002 495 HE2 TYR 64 HE2 TYR 64 -15.264 -20.573 -54.429 496 HH TYR 64 HH TYR 64 -16.567 -18.474 -53.724 497 H LEU 65 HN LEU 65 -10.036 -22.685 -54.286 498 HA LEU 65 HA LEU 65 -12.404 -23.907 -53.409 499 HB2 LEU 65 HB2 LEU 65 -9.902 -25.071 -54.646 500 HB3 LEU 65 HB1 LEU 65 -11.374 -26.002 -54.373 501 HG LEU 65 HG LEU 65 -11.347 -23.409 -55.932 502 HD11 LEU 65 HD11 LEU 65 -11.520 -24.970 -57.940 503 HD12 LEU 65 HD12 LEU 65 -10.991 -26.266 -56.867 504 HD13 LEU 65 HD13 LEU 65 -9.932 -24.890 -57.176 505 HD21 LEU 65 HD21 LEU 65 -13.476 -24.500 -56.847 506 HD22 LEU 65 HD22 LEU 65 -13.546 -23.974 -55.165 507 HD23 LEU 65 HD23 LEU 65 -13.314 -25.681 -55.546 508 HA PRO 66 HA PRO 66 -11.631 -25.705 -49.468 509 HB2 PRO 66 HB2 PRO 66 -12.240 -28.393 -50.608 510 HB3 PRO 66 HB1 PRO 66 -12.975 -27.560 -49.225 511 HG2 PRO 66 HG2 PRO 66 -14.245 -27.780 -51.554 512 HG3 PRO 66 HG1 PRO 66 -14.392 -26.331 -50.544 513 HD2 PRO 66 HD2 PRO 66 -12.858 -26.711 -53.079 514 HD3 PRO 66 HD1 PRO 66 -13.662 -25.256 -52.450 515 H LEU 67 HN LEU 67 -9.910 -26.540 -48.348 516 HA LEU 67 HA LEU 67 -7.883 -28.039 -49.897 517 HB2 LEU 67 HB2 LEU 67 -7.586 -25.726 -48.008 518 HB3 LEU 67 HB1 LEU 67 -6.275 -26.893 -48.183 519 HG LEU 67 HG LEU 67 -7.574 -25.603 -50.584 520 HD11 LEU 67 HD11 LEU 67 -5.203 -24.620 -48.967 521 HD12 LEU 67 HD12 LEU 67 -6.737 -23.781 -49.191 522 HD13 LEU 67 HD13 LEU 67 -5.650 -24.010 -50.560 523 HD21 LEU 67 HD21 LEU 67 -6.258 -27.531 -51.130 524 HD22 LEU 67 HD22 LEU 67 -4.972 -27.048 -50.025 525 HD23 LEU 67 HD23 LEU 67 -5.251 -26.134 -51.506 Start of MODEL 6 1 H1 THR 1 HT1 THR 1 -3.821 -3.416 -0.310 2 H2 THR 1 HT2 THR 1 -3.494 -1.963 0.508 3 H3 THR 1 HT3 THR 1 -3.761 -3.393 1.385 4 HA THR 1 HA THR 1 -1.710 -4.230 0.976 5 HB THR 1 HB THR 1 -2.330 -3.421 -1.632 6 HG1 THR 1 HG1 THR 1 -1.350 -5.356 -1.029 7 HG21 THR 1 HG21 THR 1 -0.348 -2.285 -2.451 8 HG22 THR 1 HG22 THR 1 0.365 -2.279 -0.841 9 HG23 THR 1 HG23 THR 1 -1.069 -1.305 -1.176 10 HA PRO 2 HA PRO 2 0.380 -0.983 3.101 11 HB2 PRO 2 HB2 PRO 2 3.008 -1.657 2.805 12 HB3 PRO 2 HB1 PRO 2 1.888 -2.560 3.842 13 HG2 PRO 2 HG2 PRO 2 2.875 -3.201 1.112 14 HG3 PRO 2 HG1 PRO 2 2.568 -4.277 2.486 15 HD2 PRO 2 HD2 PRO 2 0.836 -3.990 0.367 16 HD3 PRO 2 HD1 PRO 2 0.324 -4.480 1.996 17 H ILE 3 HN ILE 3 1.536 0.979 2.853 18 HA ILE 3 HA ILE 3 1.396 2.233 0.361 19 HB ILE 3 HB ILE 3 1.586 3.303 2.678 20 HG12 ILE 3 HG12 ILE 3 2.947 5.250 1.707 21 HG13 ILE 3 HG11 ILE 3 3.165 4.246 0.274 22 HG21 ILE 3 HG21 ILE 3 3.711 2.000 3.203 23 HG22 ILE 3 HG22 ILE 3 3.780 3.730 3.542 24 HG23 ILE 3 HG23 ILE 3 4.547 3.084 2.092 25 HD11 ILE 3 HD11 ILE 3 0.432 4.823 1.434 26 HD12 ILE 3 HD12 ILE 3 0.821 4.184 -0.163 27 HD13 ILE 3 HD13 ILE 3 1.181 5.865 0.225 28 H GLU 4 HN GLU 4 2.891 2.699 -1.228 29 HA GLU 4 HA GLU 4 4.839 0.766 -1.821 30 HB2 GLU 4 HB2 GLU 4 5.536 2.274 -3.614 31 HB3 GLU 4 HB1 GLU 4 3.776 2.224 -3.514 32 HG2 GLU 4 HG2 GLU 4 3.828 4.300 -2.138 33 HG3 GLU 4 HG1 GLU 4 5.576 4.370 -2.355 34 H SER 5 HN SER 5 7.157 1.022 -1.991 35 HA SER 5 HA SER 5 8.354 1.927 0.402 36 HB2 SER 5 HB2 SER 5 9.605 1.246 -2.267 37 HB3 SER 5 HB1 SER 5 10.499 1.481 -0.768 38 HG SER 5 HG SER 5 10.103 -0.581 -0.540 39 H HIS 6 HN HIS 6 9.637 3.709 0.852 40 HA HIS 6 HA HIS 6 9.089 6.059 -0.795 41 HB2 HIS 6 HB2 HIS 6 10.053 7.315 1.097 42 HB3 HIS 6 HB1 HIS 6 8.762 6.236 1.625 43 HD1 HIS 6 HD1 HIS 6 12.541 6.496 1.570 44 HD2 HIS 6 HD2 HIS 6 9.566 4.232 3.414 45 HE1 HIS 6 HE1 HIS 6 13.697 5.095 3.335 46 HE2 HIS 6 HE2 HIS 6 11.896 3.709 4.469 47 H GLN 7 HN GLN 7 11.080 3.847 -1.495 48 HA GLN 7 HA GLN 7 13.675 5.077 -1.332 49 HB2 GLN 7 HB2 GLN 7 13.229 2.587 -1.500 50 HB3 GLN 7 HB1 GLN 7 12.824 2.857 -3.196 51 HG2 GLN 7 HG2 GLN 7 15.069 3.924 -3.505 52 HG3 GLN 7 HG1 GLN 7 15.467 3.474 -1.848 53 HE21 GLN 7 HE21 GLN 7 14.986 0.964 -1.426 54 HE22 GLN 7 HE22 GLN 7 15.529 -0.078 -2.651 55 H VAL 8 HN VAL 8 14.617 6.449 -2.725 56 HA VAL 8 HA VAL 8 13.203 7.912 -4.611 57 HB VAL 8 HB VAL 8 15.418 8.536 -3.618 58 HG11 VAL 8 HG11 VAL 8 16.424 6.246 -4.073 59 HG12 VAL 8 HG12 VAL 8 17.442 7.614 -4.525 60 HG13 VAL 8 HG13 VAL 8 16.555 6.728 -5.765 61 HG21 VAL 8 HG21 VAL 8 14.595 9.820 -5.493 62 HG22 VAL 8 HG22 VAL 8 15.092 8.569 -6.632 63 HG23 VAL 8 HG23 VAL 8 16.309 9.516 -5.776 64 H GLU 9 HN GLU 9 12.828 7.748 -6.778 65 HA GLU 9 HA GLU 9 14.032 5.540 -8.280 66 HB2 GLU 9 HB2 GLU 9 11.557 5.171 -9.166 67 HB3 GLU 9 HB1 GLU 9 12.150 4.327 -7.736 68 HG2 GLU 9 HG2 GLU 9 9.899 5.392 -7.411 69 HG3 GLU 9 HG1 GLU 9 11.117 5.955 -6.269 70 H LYS 10 HN LYS 10 13.372 5.666 -10.632 71 HA LYS 10 HA LYS 10 12.712 8.406 -11.477 72 HB2 LYS 10 HB2 LYS 10 14.569 8.377 -13.103 73 HB3 LYS 10 HB1 LYS 10 15.160 8.283 -11.443 74 HG2 LYS 10 HG2 LYS 10 15.335 5.820 -11.658 75 HG3 LYS 10 HG1 LYS 10 14.792 5.938 -13.332 76 HD2 LYS 10 HD2 LYS 10 16.740 7.423 -13.819 77 HD3 LYS 10 HD1 LYS 10 17.308 7.168 -12.169 78 HE2 LYS 10 HE2 LYS 10 16.783 4.901 -14.106 79 HE3 LYS 10 HE1 LYS 10 18.366 5.651 -13.905 80 HZ1 LYS 10 HZ1 LYS 10 16.958 4.769 -11.499 81 HZ2 LYS 10 HZ2 LYS 10 18.622 4.790 -11.837 82 HZ3 LYS 10 HZ3 LYS 10 17.634 3.574 -12.494 83 H ARG 11 HN ARG 11 11.993 8.552 -13.681 84 HA ARG 11 HA ARG 11 11.417 6.036 -15.049 85 HB2 ARG 11 HB2 ARG 11 8.999 7.092 -15.417 86 HB3 ARG 11 HB1 ARG 11 9.351 6.036 -14.058 87 HG2 ARG 11 HG2 ARG 11 8.190 7.887 -13.128 88 HG3 ARG 11 HG1 ARG 11 9.871 8.183 -12.722 89 HD2 ARG 11 HD2 ARG 11 8.734 9.295 -15.272 90 HD3 ARG 11 HD1 ARG 11 8.413 10.111 -13.748 91 HE ARG 11 HE ARG 11 10.941 10.012 -15.149 92 HH11 ARG 11 HH11 ARG 11 9.350 10.433 -12.074 93 HH12 ARG 11 HH12 ARG 11 10.652 11.344 -11.393 94 HH21 ARG 11 HH21 ARG 11 12.626 11.204 -14.233 95 HH22 ARG 11 HH22 ARG 11 12.496 11.779 -12.604 96 H LYS 12 HN LYS 12 13.232 7.373 -16.153 97 HA LYS 12 HA LYS 12 12.693 9.686 -17.625 98 HB2 LYS 12 HB2 LYS 12 14.582 9.051 -19.021 99 HB3 LYS 12 HB1 LYS 12 14.949 8.675 -17.337 100 HG2 LYS 12 HG2 LYS 12 14.236 6.323 -17.736 101 HG3 LYS 12 HG1 LYS 12 13.971 6.716 -19.435 102 HD2 LYS 12 HD2 LYS 12 16.328 7.302 -19.704 103 HD3 LYS 12 HD1 LYS 12 16.618 7.020 -17.987 104 HE2 LYS 12 HE2 LYS 12 17.333 5.037 -19.138 105 HE3 LYS 12 HE1 LYS 12 15.805 4.642 -18.352 106 HZ1 LYS 12 HZ1 LYS 12 15.580 3.846 -20.514 107 HZ2 LYS 12 HZ2 LYS 12 16.311 5.215 -21.207 108 HZ3 LYS 12 HZ3 LYS 12 14.750 5.324 -20.544 109 H CYS 13 HN CYS 13 12.058 10.030 -19.776 110 HA CYS 13 HA CYS 13 9.873 8.540 -20.694 111 HB2 CYS 13 HB2 CYS 13 11.525 10.750 -21.708 112 HB3 CYS 13 HB1 CYS 13 10.794 9.758 -22.970 113 H ASN 14 HN ASN 14 10.248 6.371 -20.901 114 HA ASN 14 HA ASN 14 12.189 5.567 -22.986 115 HB2 ASN 14 HB2 ASN 14 12.408 3.424 -21.795 116 HB3 ASN 14 HB1 ASN 14 12.887 4.779 -20.774 117 HD21 ASN 14 HD21 ASN 14 11.738 5.081 -18.821 118 HD22 ASN 14 HD22 ASN 14 10.386 4.159 -18.371 119 H THR 15 HN THR 15 9.018 5.033 -21.537 120 HA THR 15 HA THR 15 8.161 2.920 -23.190 121 HB THR 15 HB THR 15 6.998 3.660 -21.113 122 HG1 THR 15 HG1 THR 15 4.966 3.262 -21.954 123 HG21 THR 15 HG21 THR 15 5.816 5.853 -22.815 124 HG22 THR 15 HG22 THR 15 7.195 6.134 -21.755 125 HG23 THR 15 HG23 THR 15 5.651 5.619 -21.076 126 H ALA 16 HN ALA 16 7.023 2.863 -25.105 127 HA ALA 16 HA ALA 16 7.682 4.747 -27.077 128 HB1 ALA 16 HB1 ALA 16 5.682 2.508 -26.938 129 HB2 ALA 16 HB2 ALA 16 7.178 2.603 -27.868 130 HB3 ALA 16 HB3 ALA 16 5.774 3.552 -28.356 131 H THR 17 HN THR 17 5.156 4.790 -24.735 132 HA THR 17 HA THR 17 3.235 6.325 -26.143 133 HB THR 17 HB THR 17 3.784 6.201 -23.168 134 HG1 THR 17 HG1 THR 17 2.923 4.316 -23.354 135 HG21 THR 17 HG21 THR 17 1.364 6.890 -23.047 136 HG22 THR 17 HG22 THR 17 1.428 7.206 -24.781 137 HG23 THR 17 HG23 THR 17 2.438 8.139 -23.677 138 H CYS 18 HN CYS 18 6.025 7.218 -24.152 139 HA CYS 18 HA CYS 18 5.533 9.997 -24.063 140 HB2 CYS 18 HB2 CYS 18 7.149 8.898 -22.579 141 HB3 CYS 18 HB1 CYS 18 8.172 8.516 -23.964 142 H ALA 19 HN ALA 19 7.555 8.049 -26.261 143 HA ALA 19 HA ALA 19 8.444 10.197 -27.855 144 HB1 ALA 19 HB1 ALA 19 9.489 7.965 -27.896 145 HB2 ALA 19 HB2 ALA 19 9.012 8.478 -29.515 146 HB3 ALA 19 HB3 ALA 19 8.034 7.300 -28.639 147 H THR 20 HN THR 20 5.588 8.120 -28.067 148 HA THR 20 HA THR 20 4.608 8.735 -30.556 149 HB THR 20 HB THR 20 3.010 8.476 -28.001 150 HG1 THR 20 HG1 THR 20 3.709 6.515 -28.125 151 HG21 THR 20 HG21 THR 20 2.277 8.252 -30.928 152 HG22 THR 20 HG22 THR 20 1.609 9.370 -29.739 153 HG23 THR 20 HG23 THR 20 1.256 7.646 -29.624 154 H GLN 21 HN GLN 21 4.323 10.684 -27.596 155 HA GLN 21 HA GLN 21 2.739 12.707 -28.918 156 HB2 GLN 21 HB2 GLN 21 2.407 13.581 -26.844 157 HB3 GLN 21 HB1 GLN 21 2.965 11.990 -26.329 158 HG2 GLN 21 HG2 GLN 21 5.328 12.970 -26.349 159 HG3 GLN 21 HG1 GLN 21 4.563 14.551 -26.501 160 HE21 GLN 21 HE21 GLN 21 5.479 12.106 -24.253 161 HE22 GLN 21 HE22 GLN 21 4.690 12.752 -22.896 162 H ARG 22 HN ARG 22 6.124 12.126 -28.326 163 HA ARG 22 HA ARG 22 7.001 14.819 -28.702 164 HB2 ARG 22 HB2 ARG 22 8.407 13.182 -27.553 165 HB3 ARG 22 HB1 ARG 22 8.490 12.198 -29.012 166 HG2 ARG 22 HG2 ARG 22 10.522 13.549 -28.802 167 HG3 ARG 22 HG1 ARG 22 9.593 14.084 -30.200 168 HD2 ARG 22 HD2 ARG 22 10.464 15.959 -28.757 169 HD3 ARG 22 HD1 ARG 22 8.719 15.976 -28.986 170 HE ARG 22 HE ARG 22 8.467 15.539 -26.717 171 HH11 ARG 22 HH11 ARG 22 11.755 14.937 -27.710 172 HH12 ARG 22 HH12 ARG 22 12.327 14.713 -26.093 173 HH21 ARG 22 HH21 ARG 22 9.241 15.239 -24.617 174 HH22 ARG 22 HH22 ARG 22 10.915 14.883 -24.351 175 H LEU 23 HN LEU 23 7.113 11.962 -30.839 176 HA LEU 23 HA LEU 23 8.030 13.335 -33.117 177 HB2 LEU 23 HB2 LEU 23 7.329 11.386 -34.389 178 HB3 LEU 23 HB1 LEU 23 8.068 10.865 -32.876 179 HG LEU 23 HG LEU 23 5.441 11.116 -32.136 180 HD11 LEU 23 HD11 LEU 23 4.939 11.538 -34.608 181 HD12 LEU 23 HD12 LEU 23 4.029 10.229 -33.854 182 HD13 LEU 23 HD13 LEU 23 5.407 9.862 -34.892 183 HD21 LEU 23 HD21 LEU 23 5.404 8.581 -32.485 184 HD22 LEU 23 HD22 LEU 23 6.757 9.206 -31.542 185 HD23 LEU 23 HD23 LEU 23 6.992 8.757 -33.231 186 H ALA 24 HN ALA 24 4.810 12.922 -31.784 187 HA ALA 24 HA ALA 24 3.283 13.633 -34.024 188 HB1 ALA 24 HB1 ALA 24 2.770 14.113 -31.082 189 HB2 ALA 24 HB2 ALA 24 2.231 12.733 -32.038 190 HB3 ALA 24 HB3 ALA 24 1.566 14.336 -32.352 191 H ASN 25 HN ASN 25 4.831 15.651 -31.546 192 HA ASN 25 HA ASN 25 3.763 18.119 -32.388 193 HB2 ASN 25 HB2 ASN 25 6.334 17.430 -30.957 194 HB3 ASN 25 HB1 ASN 25 5.780 19.082 -31.217 195 HD21 ASN 25 HD21 ASN 25 3.158 19.137 -30.625 196 HD22 ASN 25 HD22 ASN 25 2.837 18.524 -29.075 197 H PHE 26 HN PHE 26 6.659 16.334 -33.356 198 HA PHE 26 HA PHE 26 7.787 18.347 -34.993 199 HB2 PHE 26 HB2 PHE 26 9.045 16.377 -34.190 200 HB3 PHE 26 HB1 PHE 26 8.066 15.341 -35.230 201 HD1 PHE 26 HD1 PHE 26 10.486 18.168 -35.230 202 HD2 PHE 26 HD2 PHE 26 8.505 15.156 -37.565 203 HE1 PHE 26 HE1 PHE 26 11.987 18.662 -37.141 204 HE2 PHE 26 HE2 PHE 26 10.007 15.650 -39.476 205 HZ PHE 26 HZ PHE 26 11.748 17.403 -39.264 206 H LEU 27 HN LEU 27 5.251 16.009 -35.522 207 HA LEU 27 HA LEU 27 5.243 16.041 -38.358 208 HB2 LEU 27 HB2 LEU 27 3.517 15.054 -36.209 209 HB3 LEU 27 HB1 LEU 27 2.613 15.605 -37.614 210 HG LEU 27 HG LEU 27 3.260 13.169 -37.671 211 HD11 LEU 27 HD11 LEU 27 4.184 15.077 -39.823 212 HD12 LEU 27 HD12 LEU 27 2.695 14.140 -39.755 213 HD13 LEU 27 HD13 LEU 27 4.232 13.328 -40.042 214 HD21 LEU 27 HD21 LEU 27 5.583 13.701 -36.650 215 HD22 LEU 27 HD22 LEU 27 6.057 14.133 -38.292 216 HD23 LEU 27 HD23 LEU 27 5.511 12.496 -37.934 217 H VAL 28 HN VAL 28 2.974 17.655 -36.112 218 HA VAL 28 HA VAL 28 1.879 19.307 -38.139 219 HB VAL 28 HB VAL 28 0.791 20.508 -36.280 220 HG11 VAL 28 HG11 VAL 28 0.028 18.221 -37.132 221 HG12 VAL 28 HG12 VAL 28 -0.533 18.670 -35.522 222 HG13 VAL 28 HG13 VAL 28 0.807 17.538 -35.705 223 HG21 VAL 28 HG21 VAL 28 2.459 18.700 -34.502 224 HG22 VAL 28 HG22 VAL 28 1.270 19.887 -33.970 225 HG23 VAL 28 HG23 VAL 28 2.764 20.421 -34.739 226 H HIS 29 HN HIS 29 4.752 19.534 -36.273 227 HA HIS 29 HA HIS 29 4.993 22.424 -36.505 228 HB2 HIS 29 HB2 HIS 29 5.894 21.301 -34.520 229 HB3 HIS 29 HB1 HIS 29 6.962 20.336 -35.539 230 HD1 HIS 29 HD1 HIS 29 6.273 24.004 -34.755 231 HD2 HIS 29 HD2 HIS 29 9.386 21.566 -36.077 232 HE1 HIS 29 HE1 HIS 29 8.327 25.478 -34.896 233 HE2 HIS 29 HE2 HIS 29 10.234 24.006 -35.700 234 H SER 30 HN SER 30 6.215 19.521 -38.065 235 HA SER 30 HA SER 30 7.953 21.076 -39.850 236 HB2 SER 30 HB2 SER 30 8.721 18.943 -38.746 237 HB3 SER 30 HB1 SER 30 7.541 18.089 -39.736 238 HG SER 30 HG SER 30 9.892 18.531 -40.476 239 H SER 31 HN SER 31 4.844 20.903 -39.891 240 HA SER 31 HA SER 31 4.044 19.469 -42.154 241 HB2 SER 31 HB2 SER 31 2.433 20.463 -40.597 242 HB3 SER 31 HB1 SER 31 2.938 22.079 -41.083 243 HG SER 31 HG SER 31 1.739 20.076 -42.704 244 H ASN 32 HN ASN 32 5.213 22.794 -41.837 245 HA ASN 32 HA ASN 32 4.924 23.658 -44.470 246 HB2 ASN 32 HB2 ASN 32 7.030 25.057 -43.934 247 HB3 ASN 32 HB1 ASN 32 5.601 25.303 -42.933 248 HD21 ASN 32 HD21 ASN 32 8.931 24.632 -42.799 249 HD22 ASN 32 HD22 ASN 32 8.999 24.074 -41.198 250 H ASN 33 HN ASN 33 7.807 22.168 -42.997 251 HA ASN 33 HA ASN 33 9.348 21.938 -45.329 252 HB2 ASN 33 HB2 ASN 33 9.277 20.281 -42.807 253 HB3 ASN 33 HB1 ASN 33 10.473 20.051 -44.081 254 HD21 ASN 33 HD21 ASN 33 11.446 22.394 -44.794 255 HD22 ASN 33 HD22 ASN 33 11.940 23.351 -43.482 256 H PHE 34 HN PHE 34 7.080 19.595 -43.881 257 HA PHE 34 HA PHE 34 7.476 17.491 -45.668 258 HB2 PHE 34 HB2 PHE 34 6.146 17.318 -43.601 259 HB3 PHE 34 HB1 PHE 34 4.890 18.317 -44.334 260 HD1 PHE 34 HD1 PHE 34 6.943 15.289 -45.198 261 HD2 PHE 34 HD2 PHE 34 3.100 17.204 -45.320 262 HE1 PHE 34 HE1 PHE 34 5.974 13.278 -46.278 263 HE2 PHE 34 HE2 PHE 34 2.132 15.193 -46.400 264 HZ PHE 34 HZ PHE 34 3.569 13.230 -46.879 265 H GLY 35 HN GLY 35 4.955 20.020 -45.840 266 HA2 GLY 35 HA2 GLY 35 3.956 19.206 -48.354 267 HA3 GLY 35 HA1 GLY 35 3.683 20.775 -47.610 268 H ALA 36 HN ALA 36 6.474 21.480 -47.419 269 HA ALA 36 HA ALA 36 6.848 22.710 -49.940 270 HB1 ALA 36 HB1 ALA 36 8.901 23.550 -49.050 271 HB2 ALA 36 HB2 ALA 36 8.990 22.254 -47.858 272 HB3 ALA 36 HB3 ALA 36 7.755 23.504 -47.711 273 H ILE 37 HN ILE 37 8.273 19.834 -48.449 274 HA ILE 37 HA ILE 37 10.146 19.313 -50.538 275 HB ILE 37 HB ILE 37 8.969 17.577 -48.366 276 HG12 ILE 37 HG12 ILE 37 11.786 18.624 -48.757 277 HG13 ILE 37 HG11 ILE 37 10.567 19.484 -47.816 278 HG21 ILE 37 HG21 ILE 37 9.535 16.066 -50.138 279 HG22 ILE 37 HG22 ILE 37 10.887 16.024 -49.007 280 HG23 ILE 37 HG23 ILE 37 11.017 16.948 -50.504 281 HD11 ILE 37 HD11 ILE 37 11.595 16.681 -47.289 282 HD12 ILE 37 HD12 ILE 37 10.287 17.453 -46.394 283 HD13 ILE 37 HD13 ILE 37 11.919 18.115 -46.315 284 H LEU 38 HN LEU 38 6.862 18.100 -49.873 285 HA LEU 38 HA LEU 38 6.827 16.288 -52.064 286 HB2 LEU 38 HB2 LEU 38 5.263 16.078 -50.182 287 HB3 LEU 38 HB1 LEU 38 4.530 17.624 -50.605 288 HG LEU 38 HG LEU 38 3.893 16.691 -52.822 289 HD11 LEU 38 HD11 LEU 38 5.566 15.007 -53.162 290 HD12 LEU 38 HD12 LEU 38 4.030 14.155 -53.014 291 HD13 LEU 38 HD13 LEU 38 5.149 14.198 -51.652 292 HD21 LEU 38 HD21 LEU 38 2.240 16.593 -51.060 293 HD22 LEU 38 HD22 LEU 38 2.997 15.160 -50.364 294 HD23 LEU 38 HD23 LEU 38 2.186 15.059 -51.927 295 H SER 39 HN SER 39 5.737 19.624 -51.648 296 HA SER 39 HA SER 39 4.539 19.957 -54.176 297 HB2 SER 39 HB2 SER 39 5.846 21.962 -52.330 298 HB3 SER 39 HB1 SER 39 4.925 22.399 -53.766 299 HG SER 39 HG SER 39 3.978 20.838 -51.586 300 H SER 40 HN SER 40 7.863 19.918 -53.168 301 HA SER 40 HA SER 40 8.791 21.103 -55.676 302 HB2 SER 40 HB2 SER 40 10.342 20.050 -53.301 303 HB3 SER 40 HB1 SER 40 11.030 20.903 -54.679 304 HG SER 40 HG SER 40 10.296 22.726 -53.906 305 H THR 41 HN THR 41 7.373 18.517 -55.657 306 HA THR 41 HA THR 41 9.473 16.588 -56.319 307 HB THR 41 HB THR 41 7.463 15.919 -54.972 308 HG1 THR 41 HG1 THR 41 8.194 14.150 -55.835 309 HG21 THR 41 HG21 THR 41 5.314 15.775 -55.985 310 HG22 THR 41 HG22 THR 41 5.965 16.107 -57.589 311 HG23 THR 41 HG23 THR 41 5.906 17.388 -56.379 312 H ASN 42 HN ASN 42 9.034 18.980 -57.978 313 HA ASN 42 HA ASN 42 7.834 17.939 -60.427 314 HB2 ASN 42 HB2 ASN 42 8.138 20.163 -61.311 315 HB3 ASN 42 HB1 ASN 42 7.466 20.300 -59.687 316 HD21 ASN 42 HD21 ASN 42 8.842 22.510 -60.713 317 HD22 ASN 42 HD22 ASN 42 10.332 22.676 -59.917 318 H VAL 43 HN VAL 43 10.453 16.945 -59.188 319 HA VAL 43 HA VAL 43 12.400 17.663 -61.237 320 HB VAL 43 HB VAL 43 12.899 17.293 -58.734 321 HG11 VAL 43 HG11 VAL 43 13.027 14.400 -59.606 322 HG12 VAL 43 HG12 VAL 43 11.629 15.066 -58.762 323 HG13 VAL 43 HG13 VAL 43 13.210 15.057 -57.981 324 HG21 VAL 43 HG21 VAL 43 14.594 15.683 -60.657 325 HG22 VAL 43 HG22 VAL 43 15.125 16.600 -59.248 326 HG23 VAL 43 HG23 VAL 43 14.554 17.446 -60.686 327 H GLY 44 HN GLY 44 9.834 15.965 -61.648 328 HA2 GLY 44 HA2 GLY 44 10.264 14.533 -63.800 329 HA3 GLY 44 HA1 GLY 44 11.036 13.473 -62.626 330 H SER 45 HN SER 45 8.997 14.397 -60.574 331 HA SER 45 HA SER 45 6.910 12.483 -61.361 332 HB2 SER 45 HB2 SER 45 7.758 13.628 -58.700 333 HB3 SER 45 HB1 SER 45 6.282 12.686 -58.901 334 HG SER 45 HG SER 45 7.653 11.100 -58.564 335 H ASN 46 HN ASN 46 6.963 15.147 -62.499 336 HA ASN 46 HA ASN 46 5.181 16.916 -61.219 337 HB2 ASN 46 HB2 ASN 46 4.980 18.002 -63.382 338 HB3 ASN 46 HB1 ASN 46 6.658 17.534 -63.114 339 HD21 ASN 46 HD21 ASN 46 5.892 17.920 -65.753 340 HD22 ASN 46 HD22 ASN 46 5.761 16.427 -66.550 341 H THR 47 HN THR 47 4.584 13.879 -62.643 342 HA THR 47 HA THR 47 1.813 14.498 -63.336 343 HB THR 47 HB THR 47 3.017 11.746 -63.373 344 HG1 THR 47 HG1 THR 47 4.190 12.234 -65.057 345 HG21 THR 47 HG21 THR 47 0.660 11.894 -63.875 346 HG22 THR 47 HG22 THR 47 1.515 11.613 -65.391 347 HG23 THR 47 HG23 THR 47 0.934 13.230 -64.993 348 H TYR 48 HN TYR 48 2.785 14.647 -60.537 349 HA TYR 48 HA TYR 48 1.389 12.406 -59.264 350 HB2 TYR 48 HB2 TYR 48 2.488 12.984 -57.281 351 HB3 TYR 48 HB1 TYR 48 3.686 13.362 -58.517 352 HD1 TYR 48 HD1 TYR 48 1.895 14.623 -55.723 353 HD2 TYR 48 HD2 TYR 48 3.606 15.817 -59.478 354 HE1 TYR 48 HE1 TYR 48 1.943 16.979 -54.953 355 HE2 TYR 48 HE2 TYR 48 3.652 18.172 -58.708 356 HH TYR 48 HH TYR 48 1.969 19.244 -55.971 357 H GLY 49 HN GLY 49 0.127 14.777 -60.757 358 HA2 GLY 49 HA2 GLY 49 -1.163 16.530 -59.033 359 HA3 GLY 49 HA1 GLY 49 -1.831 15.969 -60.563 360 H LYS 50 HN LYS 50 -2.906 16.428 -57.711 361 HA LYS 50 HA LYS 50 -3.768 13.883 -56.748 362 HB2 LYS 50 HB2 LYS 50 -4.748 16.697 -56.240 363 HB3 LYS 50 HB1 LYS 50 -5.395 15.279 -55.414 364 HG2 LYS 50 HG2 LYS 50 -3.040 14.721 -54.699 365 HG3 LYS 50 HG1 LYS 50 -2.537 16.280 -55.353 366 HD2 LYS 50 HD2 LYS 50 -4.724 15.979 -53.280 367 HD3 LYS 50 HD1 LYS 50 -3.037 16.289 -52.869 368 HE2 LYS 50 HE2 LYS 50 -4.772 18.045 -54.633 369 HE3 LYS 50 HE1 LYS 50 -4.317 18.395 -52.966 370 HZ1 LYS 50 HZ1 LYS 50 -1.945 18.171 -53.774 371 HZ2 LYS 50 HZ2 LYS 50 -2.791 19.554 -54.279 372 HZ3 LYS 50 HZ3 LYS 50 -2.570 18.253 -55.348 373 H ARG 51 HN ARG 51 -4.927 16.080 -59.172 374 HA ARG 51 HA ARG 51 -7.633 15.333 -59.285 375 HB2 ARG 51 HB2 ARG 51 -7.657 16.298 -61.481 376 HB3 ARG 51 HB1 ARG 51 -6.562 17.267 -60.495 377 HG2 ARG 51 HG2 ARG 51 -4.648 15.915 -61.401 378 HG3 ARG 51 HG1 ARG 51 -5.786 15.118 -62.488 379 HD2 ARG 51 HD2 ARG 51 -6.407 17.332 -63.424 380 HD3 ARG 51 HD1 ARG 51 -5.208 18.092 -62.382 381 HE ARG 51 HE ARG 51 -4.694 16.594 -64.804 382 HH11 ARG 51 HH11 ARG 51 -3.406 17.709 -61.760 383 HH12 ARG 51 HH12 ARG 51 -1.763 17.634 -62.294 384 HH21 ARG 51 HH21 ARG 51 -2.538 16.510 -65.474 385 HH22 ARG 51 HH22 ARG 51 -1.272 16.960 -64.382 386 H ASN 52 HN ASN 52 -4.784 13.602 -60.174 387 HA ASN 52 HA ASN 52 -5.846 11.912 -62.176 388 HB2 ASN 52 HB2 ASN 52 -3.432 12.128 -61.730 389 HB3 ASN 52 HB1 ASN 52 -3.655 11.342 -60.167 390 HD21 ASN 52 HD21 ASN 52 -3.471 9.092 -60.164 391 HD22 ASN 52 HD22 ASN 52 -3.545 8.116 -61.551 392 H ALA 53 HN ALA 53 -6.131 11.936 -58.711 393 HA ALA 53 HA ALA 53 -6.761 9.299 -58.138 394 HB1 ALA 53 HB1 ALA 53 -7.808 11.883 -56.981 395 HB2 ALA 53 HB2 ALA 53 -6.560 10.823 -56.325 396 HB3 ALA 53 HB3 ALA 53 -8.246 10.305 -56.326 397 H VAL 54 HN VAL 54 -8.824 11.844 -59.476 398 HA VAL 54 HA VAL 54 -11.187 10.190 -59.460 399 HB VAL 54 HB VAL 54 -10.916 12.837 -59.487 400 HG11 VAL 54 HG11 VAL 54 -11.418 12.235 -62.410 401 HG12 VAL 54 HG12 VAL 54 -9.828 12.682 -61.795 402 HG13 VAL 54 HG13 VAL 54 -11.176 13.809 -61.654 403 HG21 VAL 54 HG21 VAL 54 -13.255 12.911 -60.469 404 HG22 VAL 54 HG22 VAL 54 -13.039 11.753 -59.157 405 HG23 VAL 54 HG23 VAL 54 -13.079 11.194 -60.830 406 H GLU 55 HN GLU 55 -8.600 10.898 -61.700 407 HA GLU 55 HA GLU 55 -9.819 10.011 -64.085 408 HB2 GLU 55 HB2 GLU 55 -7.631 11.260 -63.881 409 HB3 GLU 55 HB1 GLU 55 -6.892 9.741 -63.377 410 HG2 GLU 55 HG2 GLU 55 -8.520 9.850 -65.902 411 HG3 GLU 55 HG1 GLU 55 -6.847 10.403 -65.912 412 H VAL 56 HN VAL 56 -7.736 8.250 -61.775 413 HA VAL 56 HA VAL 56 -7.979 5.757 -63.110 414 HB VAL 56 HB VAL 56 -6.143 6.212 -61.555 415 HG11 VAL 56 HG11 VAL 56 -8.203 6.041 -59.341 416 HG12 VAL 56 HG12 VAL 56 -7.579 7.569 -59.962 417 HG13 VAL 56 HG13 VAL 56 -6.489 6.422 -59.186 418 HG21 VAL 56 HG21 VAL 56 -6.142 4.076 -60.446 419 HG22 VAL 56 HG22 VAL 56 -7.024 3.867 -61.959 420 HG23 VAL 56 HG23 VAL 56 -7.905 4.015 -60.438 421 H LEU 57 HN LEU 57 -9.757 7.254 -60.438 422 HA LEU 57 HA LEU 57 -11.300 5.144 -59.555 423 HB2 LEU 57 HB2 LEU 57 -11.439 8.028 -59.460 424 HB3 LEU 57 HB1 LEU 57 -13.050 7.339 -59.662 425 HG LEU 57 HG LEU 57 -12.311 5.677 -57.791 426 HD11 LEU 57 HD11 LEU 57 -9.912 6.541 -57.921 427 HD12 LEU 57 HD12 LEU 57 -10.606 6.452 -56.303 428 HD13 LEU 57 HD13 LEU 57 -10.494 8.005 -57.130 429 HD21 LEU 57 HD21 LEU 57 -14.076 7.254 -57.391 430 HD22 LEU 57 HD22 LEU 57 -12.945 8.607 -57.357 431 HD23 LEU 57 HD23 LEU 57 -12.947 7.426 -56.047 432 H LYS 58 HN LYS 58 -12.208 7.441 -62.143 433 HA LYS 58 HA LYS 58 -14.548 6.060 -62.898 434 HB2 LYS 58 HB2 LYS 58 -12.792 8.029 -64.366 435 HB3 LYS 58 HB1 LYS 58 -14.284 7.386 -65.053 436 HG2 LYS 58 HG2 LYS 58 -14.245 8.633 -62.306 437 HG3 LYS 58 HG1 LYS 58 -14.430 9.622 -63.755 438 HD2 LYS 58 HD2 LYS 58 -16.368 8.193 -64.429 439 HD3 LYS 58 HD1 LYS 58 -16.222 7.332 -62.896 440 HE2 LYS 58 HE2 LYS 58 -16.645 10.324 -63.137 441 HE3 LYS 58 HE1 LYS 58 -17.934 9.159 -62.833 442 HZ1 LYS 58 HZ1 LYS 58 -15.654 9.880 -61.102 443 HZ2 LYS 58 HZ2 LYS 58 -16.473 8.405 -60.900 444 HZ3 LYS 58 HZ3 LYS 58 -17.309 9.874 -60.730 445 H ARG 59 HN ARG 59 -11.192 5.629 -63.724 446 HA ARG 59 HA ARG 59 -11.505 4.134 -66.105 447 HB2 ARG 59 HB2 ARG 59 -9.362 5.160 -65.191 448 HB3 ARG 59 HB1 ARG 59 -9.274 3.773 -64.105 449 HG2 ARG 59 HG2 ARG 59 -9.781 3.129 -66.952 450 HG3 ARG 59 HG1 ARG 59 -8.185 3.791 -66.595 451 HD2 ARG 59 HD2 ARG 59 -7.947 2.083 -64.776 452 HD3 ARG 59 HD1 ARG 59 -9.472 1.373 -65.299 453 HE ARG 59 HE ARG 59 -7.763 1.560 -67.531 454 HH11 ARG 59 HH11 ARG 59 -8.044 -0.136 -64.497 455 HH12 ARG 59 HH12 ARG 59 -7.202 -1.535 -65.064 456 HH21 ARG 59 HH21 ARG 59 -6.665 -0.282 -68.246 457 HH22 ARG 59 HH22 ARG 59 -6.424 -1.620 -67.173 458 H GLU 60 HN GLU 60 -11.444 3.206 -62.693 459 HA GLU 60 HA GLU 60 -12.133 0.445 -63.496 460 HB2 GLU 60 HB2 GLU 60 -10.004 1.186 -61.995 461 HB3 GLU 60 HB1 GLU 60 -11.201 0.938 -60.728 462 HG2 GLU 60 HG2 GLU 60 -10.403 -1.051 -62.871 463 HG3 GLU 60 HG1 GLU 60 -10.040 -1.162 -61.150 464 HA PRO 61 HA PRO 61 -15.864 2.344 -61.451 465 HB2 PRO 61 HB2 PRO 61 -17.663 1.250 -63.208 466 HB3 PRO 61 HB1 PRO 61 -16.871 2.817 -63.458 467 HG2 PRO 61 HG2 PRO 61 -16.236 0.163 -64.643 468 HG3 PRO 61 HG1 PRO 61 -16.202 1.771 -65.386 469 HD2 PRO 61 HD2 PRO 61 -13.943 0.479 -64.550 470 HD3 PRO 61 HD1 PRO 61 -14.089 2.249 -64.576 471 H LEU 62 HN LEU 62 -14.861 -0.854 -62.297 472 HA LEU 62 HA LEU 62 -16.925 -2.439 -61.324 473 HB2 LEU 62 HB2 LEU 62 -14.698 -3.115 -62.459 474 HB3 LEU 62 HB1 LEU 62 -14.038 -3.123 -60.824 475 HG LEU 62 HG LEU 62 -16.628 -4.532 -61.220 476 HD11 LEU 62 HD11 LEU 62 -15.491 -5.323 -63.190 477 HD12 LEU 62 HD12 LEU 62 -15.342 -6.585 -61.967 478 HD13 LEU 62 HD13 LEU 62 -13.978 -5.520 -62.306 479 HD21 LEU 62 HD21 LEU 62 -15.490 -6.120 -59.650 480 HD22 LEU 62 HD22 LEU 62 -15.564 -4.472 -59.025 481 HD23 LEU 62 HD23 LEU 62 -14.059 -5.092 -59.704 482 H ASN 63 HN ASN 63 -14.250 -0.914 -59.563 483 HA ASN 63 HA ASN 63 -14.683 -2.032 -57.046 484 HB2 ASN 63 HB2 ASN 63 -13.317 -0.341 -56.191 485 HB3 ASN 63 HB1 ASN 63 -12.807 -0.435 -57.876 486 HD21 ASN 63 HD21 ASN 63 -13.419 1.824 -55.589 487 HD22 ASN 63 HD22 ASN 63 -14.038 3.074 -56.555 488 H TYR 64 HN TYR 64 -16.343 0.592 -58.689 489 HA TYR 64 HA TYR 64 -17.821 1.459 -56.380 490 HB2 TYR 64 HB2 TYR 64 -17.376 2.962 -58.287 491 HB3 TYR 64 HB1 TYR 64 -18.361 1.928 -59.323 492 HD1 TYR 64 HD1 TYR 64 -18.473 3.990 -56.211 493 HD2 TYR 64 HD2 TYR 64 -20.711 2.169 -59.394 494 HE1 TYR 64 HE1 TYR 64 -20.516 5.173 -55.451 495 HE2 TYR 64 HE2 TYR 64 -22.754 3.352 -58.634 496 HH TYR 64 HH TYR 64 -23.204 4.581 -55.760 497 H LEU 65 HN LEU 65 -18.608 -0.505 -59.251 498 HA LEU 65 HA LEU 65 -21.272 -1.063 -58.402 499 HB2 LEU 65 HB2 LEU 65 -19.447 -2.321 -60.454 500 HB3 LEU 65 HB1 LEU 65 -21.091 -2.892 -60.171 501 HG LEU 65 HG LEU 65 -20.477 0.011 -60.747 502 HD11 LEU 65 HD11 LEU 65 -21.130 -0.470 -63.089 503 HD12 LEU 65 HD12 LEU 65 -21.203 -2.190 -62.707 504 HD13 LEU 65 HD13 LEU 65 -19.662 -1.335 -62.637 505 HD21 LEU 65 HD21 LEU 65 -22.907 -0.137 -61.529 506 HD22 LEU 65 HD22 LEU 65 -22.653 -0.310 -59.793 507 HD23 LEU 65 HD23 LEU 65 -22.952 -1.736 -60.787 508 HA PRO 66 HA PRO 66 -20.899 -4.358 -55.511 509 HB2 PRO 66 HB2 PRO 66 -22.489 -6.099 -57.339 510 HB3 PRO 66 HB1 PRO 66 -22.783 -5.679 -55.641 511 HG2 PRO 66 HG2 PRO 66 -24.219 -4.603 -57.605 512 HG3 PRO 66 HG1 PRO 66 -23.767 -3.673 -56.166 513 HD2 PRO 66 HD2 PRO 66 -22.659 -3.512 -58.936 514 HD3 PRO 66 HD1 PRO 66 -22.852 -2.232 -57.719 515 H LEU 67 HN LEU 67 -19.465 -5.990 -55.090 516 HA LEU 67 HA LEU 67 -18.111 -7.214 -57.417 517 HB2 LEU 67 HB2 LEU 67 -17.034 -5.753 -55.294 518 HB3 LEU 67 HB1 LEU 67 -16.668 -7.435 -54.909 519 HG LEU 67 HG LEU 67 -16.202 -6.359 -57.683 520 HD11 LEU 67 HD11 LEU 67 -14.183 -6.340 -55.422 521 HD12 LEU 67 HD12 LEU 67 -15.029 -4.903 -55.997 522 HD13 LEU 67 HD13 LEU 67 -13.933 -5.770 -57.072 523 HD21 LEU 67 HD21 LEU 67 -16.076 -8.752 -57.488 524 HD22 LEU 67 HD22 LEU 67 -15.122 -8.642 -56.009 525 HD23 LEU 67 HD23 LEU 67 -14.413 -8.167 -57.552 Start of MODEL 7 1 H1 THR 1 HT1 THR 1 -3.245 -4.606 -0.340 2 H2 THR 1 HT2 THR 1 -3.133 -2.921 -0.524 3 H3 THR 1 HT3 THR 1 -3.704 -3.584 0.932 4 HA THR 1 HA THR 1 -1.480 -4.684 1.187 5 HB THR 1 HB THR 1 0.200 -4.254 -0.305 6 HG1 THR 1 HG1 THR 1 0.503 -2.234 -1.219 7 HG21 THR 1 HG21 THR 1 -0.580 -4.158 -2.561 8 HG22 THR 1 HG22 THR 1 -2.036 -3.281 -2.092 9 HG23 THR 1 HG23 THR 1 -1.844 -4.975 -1.642 10 HA PRO 2 HA PRO 2 -1.037 -1.364 4.051 11 HB2 PRO 2 HB2 PRO 2 1.599 -1.501 4.747 12 HB3 PRO 2 HB1 PRO 2 0.400 -2.708 5.250 13 HG2 PRO 2 HG2 PRO 2 2.424 -2.842 3.077 14 HG3 PRO 2 HG1 PRO 2 1.875 -4.105 4.192 15 HD2 PRO 2 HD2 PRO 2 1.016 -3.899 1.584 16 HD3 PRO 2 HD1 PRO 2 0.066 -4.662 2.876 17 H ILE 3 HN ILE 3 -0.262 0.784 4.363 18 HA ILE 3 HA ILE 3 0.273 2.246 2.014 19 HB ILE 3 HB ILE 3 -0.724 3.039 4.270 20 HG12 ILE 3 HG12 ILE 3 0.316 5.363 3.860 21 HG13 ILE 3 HG11 ILE 3 1.241 4.588 2.573 22 HG21 ILE 3 HG21 ILE 3 1.375 2.287 5.518 23 HG22 ILE 3 HG22 ILE 3 0.809 3.917 5.879 24 HG23 ILE 3 HG23 ILE 3 2.186 3.680 4.803 25 HD11 ILE 3 HD11 ILE 3 -1.770 4.365 2.759 26 HD12 ILE 3 HD12 ILE 3 -0.737 3.980 1.382 27 HD13 ILE 3 HD13 ILE 3 -0.970 5.659 1.867 28 H GLU 4 HN GLU 4 2.139 3.255 1.260 29 HA GLU 4 HA GLU 4 4.545 1.815 1.468 30 HB2 GLU 4 HB2 GLU 4 5.543 3.627 0.192 31 HB3 GLU 4 HB1 GLU 4 3.933 3.287 -0.443 32 HG2 GLU 4 HG2 GLU 4 3.027 5.146 0.946 33 HG3 GLU 4 HG1 GLU 4 4.669 5.520 1.471 34 H SER 5 HN SER 5 6.446 2.181 2.577 35 HA SER 5 HA SER 5 6.214 3.398 5.151 36 HB2 SER 5 HB2 SER 5 8.497 2.701 5.481 37 HB3 SER 5 HB1 SER 5 7.657 1.415 4.620 38 HG SER 5 HG SER 5 9.731 2.003 3.725 39 H HIS 6 HN HIS 6 7.722 5.055 5.969 40 HA HIS 6 HA HIS 6 7.564 7.438 4.462 41 HB2 HIS 6 HB2 HIS 6 8.835 8.453 6.246 42 HB3 HIS 6 HB1 HIS 6 7.707 7.300 6.960 43 HD1 HIS 6 HD1 HIS 6 11.367 7.720 6.122 44 HD2 HIS 6 HD2 HIS 6 8.915 5.107 8.252 45 HE1 HIS 6 HE1 HIS 6 12.910 6.187 7.419 46 HE2 HIS 6 HE2 HIS 6 11.430 4.588 8.723 47 H GLN 7 HN GLN 7 9.926 4.905 4.550 48 HA GLN 7 HA GLN 7 12.248 6.221 3.767 49 HB2 GLN 7 HB2 GLN 7 12.130 3.816 4.349 50 HB3 GLN 7 HB1 GLN 7 11.295 3.506 2.826 51 HG2 GLN 7 HG2 GLN 7 13.222 4.362 1.571 52 HG3 GLN 7 HG1 GLN 7 14.057 4.731 3.079 53 HE21 GLN 7 HE21 GLN 7 14.727 2.733 0.854 54 HE22 GLN 7 HE22 GLN 7 14.919 1.256 1.668 55 H VAL 8 HN VAL 8 12.978 7.106 1.914 56 HA VAL 8 HA VAL 8 11.383 6.750 -0.541 57 HB VAL 8 HB VAL 8 10.706 8.879 0.483 58 HG11 VAL 8 HG11 VAL 8 12.754 9.303 1.780 59 HG12 VAL 8 HG12 VAL 8 12.389 10.679 0.740 60 HG13 VAL 8 HG13 VAL 8 13.660 9.544 0.286 61 HG21 VAL 8 HG21 VAL 8 10.960 8.616 -2.021 62 HG22 VAL 8 HG22 VAL 8 12.547 9.371 -1.876 63 HG23 VAL 8 HG23 VAL 8 11.096 10.278 -1.449 64 H GLU 9 HN GLU 9 12.544 6.776 -2.445 65 HA GLU 9 HA GLU 9 15.436 7.284 -2.293 66 HB2 GLU 9 HB2 GLU 9 15.551 5.136 -3.851 67 HB3 GLU 9 HB1 GLU 9 15.626 4.997 -2.095 68 HG2 GLU 9 HG2 GLU 9 14.002 3.405 -3.158 69 HG3 GLU 9 HG1 GLU 9 13.261 4.479 -1.975 70 H LYS 10 HN LYS 10 16.369 7.011 -4.634 71 HA LYS 10 HA LYS 10 14.438 8.068 -6.599 72 HB2 LYS 10 HB2 LYS 10 16.411 9.556 -7.369 73 HB3 LYS 10 HB1 LYS 10 15.502 10.053 -5.941 74 HG2 LYS 10 HG2 LYS 10 17.777 8.224 -5.431 75 HG3 LYS 10 HG1 LYS 10 18.211 9.840 -5.988 76 HD2 LYS 10 HD2 LYS 10 16.495 10.649 -4.189 77 HD3 LYS 10 HD1 LYS 10 16.718 9.040 -3.502 78 HE2 LYS 10 HE2 LYS 10 19.169 9.427 -3.437 79 HE3 LYS 10 HE1 LYS 10 18.914 11.055 -4.065 80 HZ1 LYS 10 HZ1 LYS 10 17.510 11.511 -2.125 81 HZ2 LYS 10 HZ2 LYS 10 19.103 11.119 -1.683 82 HZ3 LYS 10 HZ3 LYS 10 17.863 9.971 -1.509 83 H ARG 11 HN ARG 11 15.233 7.920 -8.836 84 HA ARG 11 HA ARG 11 17.370 5.972 -9.288 85 HB2 ARG 11 HB2 ARG 11 15.902 4.626 -10.786 86 HB3 ARG 11 HB1 ARG 11 15.419 4.550 -9.094 87 HG2 ARG 11 HG2 ARG 11 13.362 4.949 -10.081 88 HG3 ARG 11 HG1 ARG 11 13.877 6.608 -9.795 89 HD2 ARG 11 HD2 ARG 11 15.008 5.816 -12.268 90 HD3 ARG 11 HD1 ARG 11 13.323 5.308 -12.295 91 HE ARG 11 HE ARG 11 14.265 7.983 -12.478 92 HH11 ARG 11 HH11 ARG 11 11.752 6.034 -11.045 93 HH12 ARG 11 HH12 ARG 11 10.610 7.332 -10.998 94 HH21 ARG 11 HH21 ARG 11 12.754 9.660 -12.401 95 HH22 ARG 11 HH22 ARG 11 11.171 9.372 -11.760 96 H LYS 12 HN LYS 12 18.222 6.007 -11.401 97 HA LYS 12 HA LYS 12 18.158 8.551 -12.667 98 HB2 LYS 12 HB2 LYS 12 19.630 7.523 -14.341 99 HB3 LYS 12 HB1 LYS 12 20.144 7.101 -12.708 100 HG2 LYS 12 HG2 LYS 12 18.861 4.955 -12.921 101 HG3 LYS 12 HG1 LYS 12 18.540 5.366 -14.606 102 HD2 LYS 12 HD2 LYS 12 20.939 5.422 -15.084 103 HD3 LYS 12 HD1 LYS 12 21.305 5.099 -13.389 104 HE2 LYS 12 HE2 LYS 12 21.466 3.006 -14.588 105 HE3 LYS 12 HE1 LYS 12 20.007 2.949 -13.598 106 HZ1 LYS 12 HZ1 LYS 12 18.653 3.301 -15.436 107 HZ2 LYS 12 HZ2 LYS 12 19.834 2.229 -16.022 108 HZ3 LYS 12 HZ3 LYS 12 19.922 3.884 -16.398 109 H CYS 13 HN CYS 13 17.228 9.227 -14.561 110 HA CYS 13 HA CYS 13 14.801 7.901 -15.348 111 HB2 CYS 13 HB2 CYS 13 15.986 10.507 -15.659 112 HB3 CYS 13 HB1 CYS 13 15.420 9.921 -17.221 113 H ASN 14 HN ASN 14 15.584 5.871 -16.131 114 HA ASN 14 HA ASN 14 17.120 5.996 -18.639 115 HB2 ASN 14 HB2 ASN 14 17.449 3.569 -18.322 116 HB3 ASN 14 HB1 ASN 14 18.018 4.491 -16.931 117 HD21 ASN 14 HD21 ASN 14 17.084 4.004 -14.907 118 HD22 ASN 14 HD22 ASN 14 15.767 2.953 -14.701 119 H THR 15 HN THR 15 14.060 4.951 -17.258 120 HA THR 15 HA THR 15 12.969 3.376 -19.215 121 HB THR 15 HB THR 15 11.714 3.827 -17.222 122 HG1 THR 15 HG1 THR 15 10.430 3.428 -19.006 123 HG21 THR 15 HG21 THR 15 10.644 6.175 -17.021 124 HG22 THR 15 HG22 THR 15 11.901 6.695 -18.142 125 HG23 THR 15 HG23 THR 15 12.342 6.009 -16.578 126 H ALA 16 HN ALA 16 11.887 3.669 -21.141 127 HA ALA 16 HA ALA 16 12.791 5.762 -22.825 128 HB1 ALA 16 HB1 ALA 16 10.574 3.739 -23.187 129 HB2 ALA 16 HB2 ALA 16 12.242 3.591 -23.741 130 HB3 ALA 16 HB3 ALA 16 11.178 4.800 -24.460 131 H THR 17 HN THR 17 10.075 5.496 -20.692 132 HA THR 17 HA THR 17 8.368 7.371 -22.008 133 HB THR 17 HB THR 17 8.455 6.496 -19.111 134 HG1 THR 17 HG1 THR 17 6.831 5.670 -21.283 135 HG21 THR 17 HG21 THR 17 6.404 8.022 -20.731 136 HG22 THR 17 HG22 THR 17 7.241 8.567 -19.277 137 HG23 THR 17 HG23 THR 17 6.051 7.270 -19.176 138 H CYS 18 HN CYS 18 10.804 7.615 -19.452 139 HA CYS 18 HA CYS 18 10.342 10.308 -18.754 140 HB2 CYS 18 HB2 CYS 18 11.725 8.673 -17.449 141 HB3 CYS 18 HB1 CYS 18 12.986 8.839 -18.671 142 H ALA 19 HN ALA 19 12.626 8.858 -21.072 143 HA ALA 19 HA ALA 19 13.784 11.290 -21.921 144 HB1 ALA 19 HB1 ALA 19 14.806 9.087 -22.351 145 HB2 ALA 19 HB2 ALA 19 14.602 10.004 -23.844 146 HB3 ALA 19 HB3 ALA 19 13.487 8.695 -23.454 147 H THR 20 HN THR 20 10.945 9.502 -23.013 148 HA THR 20 HA THR 20 10.372 10.687 -25.420 149 HB THR 20 HB THR 20 8.416 10.007 -23.217 150 HG1 THR 20 HG1 THR 20 8.944 8.066 -23.751 151 HG21 THR 20 HG21 THR 20 8.044 10.477 -26.186 152 HG22 THR 20 HG22 THR 20 7.356 11.431 -24.872 153 HG23 THR 20 HG23 THR 20 6.820 9.771 -25.131 154 H GLN 21 HN GLN 21 9.594 11.984 -22.188 155 HA GLN 21 HA GLN 21 8.295 14.314 -23.195 156 HB2 GLN 21 HB2 GLN 21 7.940 14.870 -21.003 157 HB3 GLN 21 HB1 GLN 21 8.308 13.159 -20.786 158 HG2 GLN 21 HG2 GLN 21 10.752 13.869 -20.514 159 HG3 GLN 21 HG1 GLN 21 10.152 15.521 -20.381 160 HE21 GLN 21 HE21 GLN 21 9.788 16.150 -18.259 161 HE22 GLN 21 HE22 GLN 21 9.365 15.105 -16.990 162 H ARG 22 HN ARG 22 11.627 13.505 -22.517 163 HA ARG 22 HA ARG 22 12.566 16.215 -22.452 164 HB2 ARG 22 HB2 ARG 22 13.870 14.506 -21.353 165 HB3 ARG 22 HB1 ARG 22 14.008 13.584 -22.848 166 HG2 ARG 22 HG2 ARG 22 16.071 14.874 -22.380 167 HG3 ARG 22 HG1 ARG 22 15.306 15.407 -23.874 168 HD2 ARG 22 HD2 ARG 22 16.049 17.298 -22.405 169 HD3 ARG 22 HD1 ARG 22 14.325 17.322 -22.756 170 HE ARG 22 HE ARG 22 13.908 16.911 -20.506 171 HH11 ARG 22 HH11 ARG 22 17.261 16.305 -21.251 172 HH12 ARG 22 HH12 ARG 22 17.717 16.115 -19.594 173 HH21 ARG 22 HH21 ARG 22 14.533 16.659 -18.350 174 HH22 ARG 22 HH22 ARG 22 16.185 16.313 -17.960 175 H LEU 23 HN LEU 23 12.904 13.619 -24.880 176 HA LEU 23 HA LEU 23 13.993 15.297 -26.881 177 HB2 LEU 23 HB2 LEU 23 13.576 13.462 -28.419 178 HB3 LEU 23 HB1 LEU 23 14.189 12.821 -26.897 179 HG LEU 23 HG LEU 23 11.487 12.829 -26.433 180 HD11 LEU 23 HD11 LEU 23 11.214 13.490 -28.885 181 HD12 LEU 23 HD12 LEU 23 10.337 12.045 -28.384 182 HD13 LEU 23 HD13 LEU 23 11.841 11.893 -29.291 183 HD21 LEU 23 HD21 LEU 23 11.670 10.351 -27.038 184 HD22 LEU 23 HD22 LEU 23 12.874 10.950 -25.897 185 HD23 LEU 23 HD23 LEU 23 13.308 10.702 -27.589 186 H ALA 24 HN ALA 24 10.706 14.551 -25.939 187 HA ALA 24 HA ALA 24 9.366 15.431 -28.254 188 HB1 ALA 24 HB1 ALA 24 8.620 15.158 -25.364 189 HB2 ALA 24 HB2 ALA 24 7.975 14.312 -26.771 190 HB3 ALA 24 HB3 ALA 24 7.522 15.989 -26.467 191 H ASN 25 HN ASN 25 10.305 17.184 -25.299 192 HA ASN 25 HA ASN 25 9.219 19.678 -26.009 193 HB2 ASN 25 HB2 ASN 25 11.523 18.909 -24.217 194 HB3 ASN 25 HB1 ASN 25 10.960 20.570 -24.389 195 HD21 ASN 25 HD21 ASN 25 10.788 19.119 -21.893 196 HD22 ASN 25 HD22 ASN 25 9.143 18.904 -21.535 197 H PHE 26 HN PHE 26 12.403 18.245 -26.616 198 HA PHE 26 HA PHE 26 13.597 20.536 -27.766 199 HB2 PHE 26 HB2 PHE 26 14.865 18.553 -26.976 200 HB3 PHE 26 HB1 PHE 26 14.216 17.626 -28.330 201 HD1 PHE 26 HD1 PHE 26 16.261 20.613 -27.451 202 HD2 PHE 26 HD2 PHE 26 15.143 17.814 -30.511 203 HE1 PHE 26 HE1 PHE 26 18.047 21.508 -28.921 204 HE2 PHE 26 HE2 PHE 26 16.929 18.708 -31.982 205 HZ PHE 26 HZ PHE 26 18.381 20.555 -31.187 206 H LEU 27 HN LEU 27 11.619 17.944 -29.094 207 HA LEU 27 HA LEU 27 12.041 18.409 -31.822 208 HB2 LEU 27 HB2 LEU 27 10.900 16.418 -30.957 209 HB3 LEU 27 HB1 LEU 27 9.575 17.406 -30.366 210 HG LEU 27 HG LEU 27 9.321 16.118 -32.626 211 HD11 LEU 27 HD11 LEU 27 8.564 19.025 -32.812 212 HD12 LEU 27 HD12 LEU 27 7.850 17.998 -31.570 213 HD13 LEU 27 HD13 LEU 27 7.641 17.598 -33.273 214 HD21 LEU 27 HD21 LEU 27 11.530 17.203 -33.465 215 HD22 LEU 27 HD22 LEU 27 10.538 18.627 -33.774 216 HD23 LEU 27 HD23 LEU 27 10.170 17.105 -34.581 217 H VAL 28 HN VAL 28 9.439 19.626 -29.696 218 HA VAL 28 HA VAL 28 8.333 21.357 -31.662 219 HB VAL 28 HB VAL 28 7.014 22.263 -29.795 220 HG11 VAL 28 HG11 VAL 28 6.522 20.021 -30.903 221 HG12 VAL 28 HG12 VAL 28 5.833 20.242 -29.294 222 HG13 VAL 28 HG13 VAL 28 7.285 19.263 -29.505 223 HG21 VAL 28 HG21 VAL 28 8.748 20.462 -28.072 224 HG22 VAL 28 HG22 VAL 28 7.387 21.437 -27.519 225 HG23 VAL 28 HG23 VAL 28 8.851 22.223 -28.109 226 H HIS 29 HN HIS 29 11.034 21.626 -29.549 227 HA HIS 29 HA HIS 29 11.018 24.556 -29.639 228 HB2 HIS 29 HB2 HIS 29 11.532 23.437 -27.495 229 HB3 HIS 29 HB1 HIS 29 12.931 22.670 -28.246 230 HD1 HIS 29 HD1 HIS 29 11.574 26.182 -27.629 231 HD2 HIS 29 HD2 HIS 29 15.218 24.226 -28.149 232 HE1 HIS 29 HE1 HIS 29 13.379 27.919 -27.256 233 HE2 HIS 29 HE2 HIS 29 15.607 26.742 -27.570 234 H SER 30 HN SER 30 12.309 21.950 -31.427 235 HA SER 30 HA SER 30 14.430 23.696 -32.533 236 HB2 SER 30 HB2 SER 30 15.190 21.568 -31.434 237 HB3 SER 30 HB1 SER 30 14.268 20.680 -32.644 238 HG SER 30 HG SER 30 15.524 21.772 -34.239 239 H SER 31 HN SER 31 11.426 23.296 -33.191 240 HA SER 31 HA SER 31 11.244 22.036 -35.711 241 HB2 SER 31 HB2 SER 31 9.270 22.561 -34.370 242 HB3 SER 31 HB1 SER 31 9.588 24.285 -34.545 243 HG SER 31 HG SER 31 9.417 23.922 -36.847 244 H ASN 32 HN ASN 32 11.712 25.403 -34.762 245 HA ASN 32 HA ASN 32 11.778 26.568 -37.313 246 HB2 ASN 32 HB2 ASN 32 13.268 28.318 -36.108 247 HB3 ASN 32 HB1 ASN 32 11.609 28.097 -35.556 248 HD21 ASN 32 HD21 ASN 32 14.841 28.174 -34.499 249 HD22 ASN 32 HD22 ASN 32 14.615 27.433 -32.989 250 H ASN 33 HN ASN 33 14.580 25.729 -35.255 251 HA ASN 33 HA ASN 33 16.539 26.192 -37.212 252 HB2 ASN 33 HB2 ASN 33 16.521 24.402 -34.780 253 HB3 ASN 33 HB1 ASN 33 17.951 24.659 -35.779 254 HD21 ASN 33 HD21 ASN 33 18.254 27.229 -36.236 255 HD22 ASN 33 HD22 ASN 33 18.141 28.189 -34.840 256 H PHE 34 HN PHE 34 14.805 23.196 -36.362 257 HA PHE 34 HA PHE 34 16.199 21.408 -37.938 258 HB2 PHE 34 HB2 PHE 34 14.437 20.705 -36.403 259 HB3 PHE 34 HB1 PHE 34 13.220 21.494 -37.407 260 HD1 PHE 34 HD1 PHE 34 15.927 18.911 -37.559 261 HD2 PHE 34 HD2 PHE 34 12.193 20.311 -39.156 262 HE1 PHE 34 HE1 PHE 34 15.761 16.872 -38.961 263 HE2 PHE 34 HE2 PHE 34 12.028 18.272 -40.558 264 HZ PHE 34 HZ PHE 34 13.812 16.553 -40.460 265 H GLY 35 HN GLY 35 13.542 23.572 -38.879 266 HA2 GLY 35 HA2 GLY 35 13.201 22.657 -41.508 267 HA3 GLY 35 HA1 GLY 35 12.817 24.280 -40.953 268 H ALA 36 HN ALA 36 15.438 24.977 -40.103 269 HA ALA 36 HA ALA 36 16.486 26.096 -42.457 270 HB1 ALA 36 HB1 ALA 36 18.111 27.047 -41.113 271 HB2 ALA 36 HB2 ALA 36 18.269 25.608 -40.105 272 HB3 ALA 36 HB3 ALA 36 16.877 26.673 -39.910 273 H ILE 37 HN ILE 37 17.472 23.218 -40.623 274 HA ILE 37 HA ILE 37 19.697 22.599 -42.304 275 HB ILE 37 HB ILE 37 18.099 20.944 -40.342 276 HG12 ILE 37 HG12 ILE 37 20.955 21.949 -40.208 277 HG13 ILE 37 HG11 ILE 37 19.591 22.852 -39.548 278 HG21 ILE 37 HG21 ILE 37 20.070 19.350 -40.557 279 HG22 ILE 37 HG22 ILE 37 20.519 20.232 -42.016 280 HG23 ILE 37 HG23 ILE 37 18.976 19.382 -41.939 281 HD11 ILE 37 HD11 ILE 37 20.443 20.053 -38.752 282 HD12 ILE 37 HD12 ILE 37 19.003 20.873 -38.149 283 HD13 ILE 37 HD13 ILE 37 20.603 21.513 -37.775 284 H LEU 38 HN LEU 38 16.334 21.434 -42.177 285 HA LEU 38 HA LEU 38 16.504 19.484 -44.159 286 HB2 LEU 38 HB2 LEU 38 14.515 19.791 -42.758 287 HB3 LEU 38 HB1 LEU 38 14.189 21.338 -43.536 288 HG LEU 38 HG LEU 38 13.973 20.164 -45.723 289 HD11 LEU 38 HD11 LEU 38 15.347 18.226 -45.391 290 HD12 LEU 38 HD12 LEU 38 13.695 17.636 -45.567 291 HD13 LEU 38 HD13 LEU 38 14.428 17.740 -43.967 292 HD21 LEU 38 HD21 LEU 38 12.023 20.576 -44.144 293 HD22 LEU 38 HD22 LEU 38 12.197 18.902 -43.618 294 HD23 LEU 38 HD23 LEU 38 11.786 19.261 -45.295 295 H SER 39 HN SER 39 15.638 22.912 -44.452 296 HA SER 39 HA SER 39 15.189 23.153 -47.145 297 HB2 SER 39 HB2 SER 39 16.677 25.092 -45.364 298 HB3 SER 39 HB1 SER 39 16.004 25.486 -46.943 299 HG SER 39 HG SER 39 14.174 25.752 -45.964 300 H SER 40 HN SER 40 18.246 22.660 -45.526 301 HA SER 40 HA SER 40 19.774 23.177 -47.963 302 HB2 SER 40 HB2 SER 40 20.671 22.298 -45.210 303 HB3 SER 40 HB1 SER 40 21.739 22.718 -46.546 304 HG SER 40 HG SER 40 19.876 24.375 -45.191 305 H THR 41 HN THR 41 17.879 21.007 -48.021 306 HA THR 41 HA THR 41 19.105 18.494 -47.601 307 HB THR 41 HB THR 41 16.643 18.910 -47.932 308 HG1 THR 41 HG1 THR 41 16.631 16.869 -48.350 309 HG21 THR 41 HG21 THR 41 15.786 19.141 -50.175 310 HG22 THR 41 HG22 THR 41 17.401 18.971 -50.863 311 HG23 THR 41 HG23 THR 41 16.987 20.409 -49.930 312 H ASN 42 HN ASN 42 19.784 20.899 -49.899 313 HA ASN 42 HA ASN 42 20.592 19.115 -52.029 314 HB2 ASN 42 HB2 ASN 42 21.314 21.119 -53.170 315 HB3 ASN 42 HB1 ASN 42 19.734 21.419 -52.446 316 HD21 ASN 42 HD21 ASN 42 21.299 23.651 -53.008 317 HD22 ASN 42 HD22 ASN 42 21.906 24.313 -51.568 318 H VAL 43 HN VAL 43 21.885 19.424 -49.107 319 HA VAL 43 HA VAL 43 24.663 19.846 -49.887 320 HB VAL 43 HB VAL 43 23.571 20.671 -47.707 321 HG11 VAL 43 HG11 VAL 43 24.194 17.856 -46.793 322 HG12 VAL 43 HG12 VAL 43 22.570 18.349 -47.272 323 HG13 VAL 43 HG13 VAL 43 23.361 19.132 -45.905 324 HG21 VAL 43 HG21 VAL 43 26.077 19.013 -47.343 325 HG22 VAL 43 HG22 VAL 43 25.660 20.538 -46.564 326 HG23 VAL 43 HG23 VAL 43 26.068 20.509 -48.279 327 H GLY 44 HN GLY 44 22.902 17.443 -50.691 328 HA2 GLY 44 HA2 GLY 44 24.148 15.424 -51.405 329 HA3 GLY 44 HA1 GLY 44 24.779 15.350 -49.763 330 H SER 45 HN SER 45 21.923 16.289 -48.931 331 HA SER 45 HA SER 45 20.842 13.563 -48.756 332 HB2 SER 45 HB2 SER 45 19.427 14.485 -46.957 333 HB3 SER 45 HB1 SER 45 21.137 14.771 -46.646 334 HG SER 45 HG SER 45 20.871 16.862 -47.037 335 H ASN 46 HN ASN 46 20.636 15.129 -51.214 336 HA ASN 46 HA ASN 46 17.795 15.845 -51.324 337 HB2 ASN 46 HB2 ASN 46 18.317 16.713 -53.559 338 HB3 ASN 46 HB1 ASN 46 19.411 17.386 -52.353 339 HD21 ASN 46 HD21 ASN 46 20.560 17.614 -54.708 340 HD22 ASN 46 HD22 ASN 46 21.662 16.369 -55.053 341 H THR 47 HN THR 47 18.826 13.042 -51.062 342 HA THR 47 HA THR 47 18.062 11.846 -53.623 343 HB THR 47 HB THR 47 18.538 9.956 -51.481 344 HG1 THR 47 HG1 THR 47 20.701 10.565 -51.130 345 HG21 THR 47 HG21 THR 47 18.757 9.376 -53.818 346 HG22 THR 47 HG22 THR 47 20.356 9.272 -53.079 347 HG23 THR 47 HG23 THR 47 19.932 10.666 -54.074 348 H TYR 48 HN TYR 48 16.115 13.275 -51.909 349 HA TYR 48 HA TYR 48 14.302 11.034 -51.256 350 HB2 TYR 48 HB2 TYR 48 13.237 12.436 -49.649 351 HB3 TYR 48 HB1 TYR 48 14.971 12.627 -49.394 352 HD1 TYR 48 HD1 TYR 48 11.878 14.300 -50.172 353 HD2 TYR 48 HD2 TYR 48 16.149 14.614 -50.509 354 HE1 TYR 48 HE1 TYR 48 11.668 16.740 -50.565 355 HE2 TYR 48 HE2 TYR 48 15.939 17.053 -50.903 356 HH TYR 48 HH TYR 48 13.071 18.541 -51.716 357 H GLY 49 HN GLY 49 14.839 12.503 -53.885 358 HA2 GLY 49 HA2 GLY 49 12.809 14.203 -54.647 359 HA3 GLY 49 HA1 GLY 49 13.548 13.021 -55.724 360 H LYS 50 HN LYS 50 10.670 14.050 -54.960 361 HA LYS 50 HA LYS 50 9.248 11.711 -54.140 362 HB2 LYS 50 HB2 LYS 50 8.357 14.282 -55.456 363 HB3 LYS 50 HB1 LYS 50 7.243 13.016 -54.938 364 HG2 LYS 50 HG2 LYS 50 8.242 13.185 -52.631 365 HG3 LYS 50 HG1 LYS 50 9.154 14.588 -53.189 366 HD2 LYS 50 HD2 LYS 50 6.139 14.388 -53.384 367 HD3 LYS 50 HD1 LYS 50 6.972 15.139 -52.023 368 HE2 LYS 50 HE2 LYS 50 7.230 15.972 -54.929 369 HE3 LYS 50 HE1 LYS 50 6.323 16.836 -53.687 370 HZ1 LYS 50 HZ1 LYS 50 9.239 16.489 -53.943 371 HZ2 LYS 50 HZ2 LYS 50 8.543 16.818 -52.428 372 HZ3 LYS 50 HZ3 LYS 50 8.350 17.915 -53.711 373 H ARG 51 HN ARG 51 10.315 12.990 -57.205 374 HA ARG 51 HA ARG 51 8.597 11.662 -58.959 375 HB2 ARG 51 HB2 ARG 51 10.271 12.002 -60.646 376 HB3 ARG 51 HB1 ARG 51 10.322 13.396 -59.568 377 HG2 ARG 51 HG2 ARG 51 12.190 12.279 -58.312 378 HG3 ARG 51 HG1 ARG 51 12.197 11.014 -59.540 379 HD2 ARG 51 HD2 ARG 51 12.624 12.725 -61.280 380 HD3 ARG 51 HD1 ARG 51 12.665 13.968 -60.033 381 HE ARG 51 HE ARG 51 14.747 12.050 -60.633 382 HH11 ARG 51 HH11 ARG 51 13.359 14.162 -58.229 383 HH12 ARG 51 HH12 ARG 51 14.834 14.311 -57.338 384 HH21 ARG 51 HH21 ARG 51 16.659 12.264 -59.449 385 HH22 ARG 51 HH22 ARG 51 16.691 13.244 -58.022 386 H ASN 52 HN ASN 52 10.996 10.370 -56.867 387 HA ASN 52 HA ASN 52 11.588 7.999 -58.365 388 HB2 ASN 52 HB2 ASN 52 13.102 8.834 -56.615 389 HB3 ASN 52 HB1 ASN 52 11.854 8.558 -55.401 390 HD21 ASN 52 HD21 ASN 52 11.820 6.506 -54.453 391 HD22 ASN 52 HD22 ASN 52 12.647 5.153 -55.059 392 H ALA 53 HN ALA 53 9.180 8.897 -55.960 393 HA ALA 53 HA ALA 53 8.215 6.336 -55.326 394 HB1 ALA 53 HB1 ALA 53 6.444 7.421 -54.299 395 HB2 ALA 53 HB2 ALA 53 6.355 8.671 -55.540 396 HB3 ALA 53 HB3 ALA 53 7.650 8.707 -54.343 397 H VAL 54 HN VAL 54 7.320 8.567 -57.941 398 HA VAL 54 HA VAL 54 5.176 7.013 -58.947 399 HB VAL 54 HB VAL 54 6.103 9.494 -59.490 400 HG11 VAL 54 HG11 VAL 54 6.803 7.882 -61.958 401 HG12 VAL 54 HG12 VAL 54 8.012 8.453 -60.808 402 HG13 VAL 54 HG13 VAL 54 7.029 9.610 -61.699 403 HG21 VAL 54 HG21 VAL 54 4.520 9.404 -61.464 404 HG22 VAL 54 HG22 VAL 54 3.851 8.777 -59.958 405 HG23 VAL 54 HG23 VAL 54 4.406 7.663 -61.207 406 H GLU 55 HN GLU 55 8.639 6.852 -59.386 407 HA GLU 55 HA GLU 55 8.615 5.173 -61.696 408 HB2 GLU 55 HB2 GLU 55 10.725 5.709 -59.599 409 HB3 GLU 55 HB1 GLU 55 11.000 4.731 -61.041 410 HG2 GLU 55 HG2 GLU 55 10.057 7.613 -61.059 411 HG3 GLU 55 HG1 GLU 55 11.715 7.095 -61.356 412 H VAL 56 HN VAL 56 9.028 4.507 -58.213 413 HA VAL 56 HA VAL 56 9.227 1.676 -58.605 414 HB VAL 56 HB VAL 56 10.032 3.190 -56.603 415 HG11 VAL 56 HG11 VAL 56 7.376 2.205 -55.538 416 HG12 VAL 56 HG12 VAL 56 7.617 3.854 -56.112 417 HG13 VAL 56 HG13 VAL 56 8.542 3.257 -54.736 418 HG21 VAL 56 HG21 VAL 56 10.216 1.197 -55.265 419 HG22 VAL 56 HG22 VAL 56 10.314 0.694 -56.952 420 HG23 VAL 56 HG23 VAL 56 8.814 0.472 -56.051 421 H LEU 57 HN LEU 57 6.567 3.898 -57.984 422 HA LEU 57 HA LEU 57 4.656 1.979 -57.168 423 HB2 LEU 57 HB2 LEU 57 4.652 4.785 -58.018 424 HB3 LEU 57 HB1 LEU 57 3.190 3.910 -58.473 425 HG LEU 57 HG LEU 57 3.159 3.033 -56.059 426 HD11 LEU 57 HD11 LEU 57 5.560 3.811 -55.668 427 HD12 LEU 57 HD12 LEU 57 4.401 4.235 -54.408 428 HD13 LEU 57 HD13 LEU 57 4.915 5.450 -55.578 429 HD21 LEU 57 HD21 LEU 57 1.543 4.677 -56.785 430 HD22 LEU 57 HD22 LEU 57 2.745 5.965 -56.709 431 HD23 LEU 57 HD23 LEU 57 2.170 5.207 -55.224 432 H LYS 58 HN LYS 58 5.532 3.220 -60.390 433 HA LYS 58 HA LYS 58 3.504 1.783 -61.768 434 HB2 LYS 58 HB2 LYS 58 6.125 2.989 -62.667 435 HB3 LYS 58 HB1 LYS 58 5.010 2.194 -63.777 436 HG2 LYS 58 HG2 LYS 58 4.079 4.391 -61.929 437 HG3 LYS 58 HG1 LYS 58 4.784 4.753 -63.505 438 HD2 LYS 58 HD2 LYS 58 3.091 3.222 -64.548 439 HD3 LYS 58 HD1 LYS 58 2.334 3.053 -62.964 440 HE2 LYS 58 HE2 LYS 58 2.778 5.714 -64.345 441 HE3 LYS 58 HE1 LYS 58 1.265 4.810 -64.414 442 HZ1 LYS 58 HZ1 LYS 58 2.538 6.121 -62.107 443 HZ2 LYS 58 HZ2 LYS 58 1.484 4.811 -61.860 444 HZ3 LYS 58 HZ3 LYS 58 0.930 6.215 -62.639 445 H ARG 59 HN ARG 59 6.856 1.061 -60.919 446 HA ARG 59 HA ARG 59 7.141 -1.316 -62.405 447 HB2 ARG 59 HB2 ARG 59 8.955 0.014 -61.192 448 HB3 ARG 59 HB1 ARG 59 8.425 -0.805 -59.722 449 HG2 ARG 59 HG2 ARG 59 8.827 -2.608 -62.016 450 HG3 ARG 59 HG1 ARG 59 10.297 -1.800 -61.471 451 HD2 ARG 59 HD2 ARG 59 9.838 -2.547 -59.157 452 HD3 ARG 59 HD1 ARG 59 8.391 -3.378 -59.720 453 HE ARG 59 HE ARG 59 10.578 -4.293 -61.234 454 HH11 ARG 59 HH11 ARG 59 9.367 -4.369 -57.964 455 HH12 ARG 59 HH12 ARG 59 10.107 -5.889 -57.599 456 HH21 ARG 59 HH21 ARG 59 11.533 -6.278 -60.730 457 HH22 ARG 59 HH22 ARG 59 11.326 -6.965 -59.153 458 H GLU 60 HN GLU 60 5.462 -0.611 -59.451 459 HA GLU 60 HA GLU 60 5.035 -3.487 -58.949 460 HB2 GLU 60 HB2 GLU 60 4.688 -1.066 -57.174 461 HB3 GLU 60 HB1 GLU 60 4.188 -2.696 -56.722 462 HG2 GLU 60 HG2 GLU 60 7.006 -1.992 -57.580 463 HG3 GLU 60 HG1 GLU 60 6.486 -2.043 -55.896 464 HA PRO 61 HA PRO 61 1.090 -1.961 -60.897 465 HB2 PRO 61 HB2 PRO 61 0.491 -4.424 -62.009 466 HB3 PRO 61 HB1 PRO 61 1.399 -3.140 -62.828 467 HG2 PRO 61 HG2 PRO 61 2.388 -5.586 -61.466 468 HG3 PRO 61 HG1 PRO 61 2.985 -4.782 -62.927 469 HD2 PRO 61 HD2 PRO 61 4.230 -4.547 -60.520 470 HD3 PRO 61 HD1 PRO 61 4.247 -3.248 -61.733 471 H LEU 62 HN LEU 62 1.934 -4.263 -58.541 472 HA LEU 62 HA LEU 62 -0.504 -5.554 -58.022 473 HB2 LEU 62 HB2 LEU 62 1.725 -6.106 -56.983 474 HB3 LEU 62 HB1 LEU 62 1.523 -4.691 -55.949 475 HG LEU 62 HG LEU 62 -0.797 -6.529 -56.054 476 HD11 LEU 62 HD11 LEU 62 1.236 -8.045 -56.040 477 HD12 LEU 62 HD12 LEU 62 0.183 -8.208 -54.634 478 HD13 LEU 62 HD13 LEU 62 1.690 -7.302 -54.507 479 HD21 LEU 62 HD21 LEU 62 -0.605 -6.082 -53.547 480 HD22 LEU 62 HD22 LEU 62 -0.874 -4.659 -54.554 481 HD23 LEU 62 HD23 LEU 62 0.739 -5.007 -53.933 482 H ASN 63 HN ASN 63 0.753 -2.432 -56.891 483 HA ASN 63 HA ASN 63 -1.546 -1.888 -55.255 484 HB2 ASN 63 HB2 ASN 63 -0.552 0.245 -54.852 485 HB3 ASN 63 HB1 ASN 63 0.765 -0.925 -54.901 486 HD21 ASN 63 HD21 ASN 63 1.235 1.845 -55.431 487 HD22 ASN 63 HD22 ASN 63 1.659 2.011 -57.067 488 H TYR 64 HN TYR 64 -0.982 -1.764 -58.603 489 HA TYR 64 HA TYR 64 -2.641 0.490 -59.238 490 HB2 TYR 64 HB2 TYR 64 -0.851 -0.431 -60.737 491 HB3 TYR 64 HB1 TYR 64 -1.883 -1.833 -61.020 492 HD1 TYR 64 HD1 TYR 64 -1.670 1.862 -61.381 493 HD2 TYR 64 HD2 TYR 64 -3.754 -1.724 -62.497 494 HE1 TYR 64 HE1 TYR 64 -2.916 3.126 -63.113 495 HE2 TYR 64 HE2 TYR 64 -5.001 -0.461 -64.230 496 HH TYR 64 HH TYR 64 -5.206 2.830 -64.312 497 H LEU 65 HN LEU 65 -3.107 -2.993 -58.946 498 HA LEU 65 HA LEU 65 -5.764 -3.019 -59.990 499 HB2 LEU 65 HB2 LEU 65 -4.270 -4.982 -58.236 500 HB3 LEU 65 HB1 LEU 65 -5.856 -5.294 -58.940 501 HG LEU 65 HG LEU 65 -3.438 -4.528 -60.592 502 HD11 LEU 65 HD11 LEU 65 -3.151 -6.875 -61.099 503 HD12 LEU 65 HD12 LEU 65 -4.582 -7.301 -60.162 504 HD13 LEU 65 HD13 LEU 65 -3.140 -6.701 -59.344 505 HD21 LEU 65 HD21 LEU 65 -6.207 -5.597 -61.196 506 HD22 LEU 65 HD22 LEU 65 -4.897 -5.642 -62.376 507 HD23 LEU 65 HD23 LEU 65 -5.481 -4.095 -61.766 508 HA PRO 66 HA PRO 66 -8.304 -1.645 -56.670 509 HB2 PRO 66 HB2 PRO 66 -9.669 -4.300 -56.669 510 HB3 PRO 66 HB1 PRO 66 -10.361 -2.674 -56.827 511 HG2 PRO 66 HG2 PRO 66 -10.135 -4.291 -58.925 512 HG3 PRO 66 HG1 PRO 66 -9.889 -2.542 -59.070 513 HD2 PRO 66 HD2 PRO 66 -7.860 -4.735 -59.076 514 HD3 PRO 66 HD1 PRO 66 -7.842 -3.175 -59.928 515 H LEU 67 HN LEU 67 -8.168 -1.600 -54.468 516 HA LEU 67 HA LEU 67 -7.372 -4.021 -53.015 517 HB2 LEU 67 HB2 LEU 67 -5.639 -1.731 -53.541 518 HB3 LEU 67 HB1 LEU 67 -5.824 -2.058 -51.817 519 HG LEU 67 HG LEU 67 -5.272 -4.301 -53.750 520 HD11 LEU 67 HD11 LEU 67 -3.297 -2.383 -52.491 521 HD12 LEU 67 HD12 LEU 67 -3.465 -2.792 -54.198 522 HD13 LEU 67 HD13 LEU 67 -2.837 -3.986 -53.063 523 HD21 LEU 67 HD21 LEU 67 -5.935 -4.976 -51.531 524 HD22 LEU 67 HD22 LEU 67 -4.837 -3.811 -50.790 525 HD23 LEU 67 HD23 LEU 67 -4.190 -5.212 -51.643 Start of MODEL 8 1 H1 THR 1 HT1 THR 1 -2.148 -5.964 1.019 2 H2 THR 1 HT2 THR 1 -2.642 -4.972 -0.268 3 H3 THR 1 HT3 THR 1 -2.737 -4.404 1.331 4 HA THR 1 HA THR 1 -0.128 -5.087 1.097 5 HB THR 1 HB THR 1 -1.138 -4.939 -1.509 6 HG1 THR 1 HG1 THR 1 0.800 -5.647 -1.827 7 HG21 THR 1 HG21 THR 1 -0.132 -2.966 -2.493 8 HG22 THR 1 HG22 THR 1 0.500 -2.456 -0.930 9 HG23 THR 1 HG23 THR 1 -1.241 -2.451 -1.224 10 HA PRO 2 HA PRO 2 -0.129 -1.080 2.935 11 HB2 PRO 2 HB2 PRO 2 2.436 -0.238 2.558 12 HB3 PRO 2 HB1 PRO 2 2.002 -1.540 3.683 13 HG2 PRO 2 HG2 PRO 2 3.152 -1.707 0.946 14 HG3 PRO 2 HG1 PRO 2 3.494 -2.691 2.379 15 HD2 PRO 2 HD2 PRO 2 1.858 -3.515 0.319 16 HD3 PRO 2 HD1 PRO 2 1.728 -4.116 1.986 17 H ILE 3 HN ILE 3 -0.049 1.218 2.553 18 HA ILE 3 HA ILE 3 -1.073 2.104 0.153 19 HB ILE 3 HB ILE 3 -1.267 3.537 2.027 20 HG12 ILE 3 HG12 ILE 3 -0.333 5.664 1.238 21 HG13 ILE 3 HG11 ILE 3 0.794 4.807 0.189 22 HG21 ILE 3 HG21 ILE 3 1.750 3.368 2.178 23 HG22 ILE 3 HG22 ILE 3 0.576 2.850 3.384 24 HG23 ILE 3 HG23 ILE 3 0.816 4.567 3.070 25 HD11 ILE 3 HD11 ILE 3 -2.217 4.516 -0.008 26 HD12 ILE 3 HD12 ILE 3 -1.011 3.931 -1.154 27 HD13 ILE 3 HD13 ILE 3 -1.287 5.662 -0.973 28 H GLU 4 HN GLU 4 -0.247 2.072 -1.820 29 HA GLU 4 HA GLU 4 2.372 1.513 -2.528 30 HB2 GLU 4 HB2 GLU 4 1.801 2.264 -4.752 31 HB3 GLU 4 HB1 GLU 4 0.391 1.461 -4.060 32 HG2 GLU 4 HG2 GLU 4 -0.475 3.708 -3.362 33 HG3 GLU 4 HG1 GLU 4 0.871 4.448 -4.226 34 H SER 5 HN SER 5 3.837 3.018 -3.803 35 HA SER 5 HA SER 5 4.685 5.135 -2.102 36 HB2 SER 5 HB2 SER 5 5.493 4.436 -4.933 37 HB3 SER 5 HB1 SER 5 6.319 5.610 -3.913 38 HG SER 5 HG SER 5 6.857 3.982 -2.505 39 H HIS 6 HN HIS 6 4.523 7.340 -2.323 40 HA HIS 6 HA HIS 6 2.212 8.354 -3.647 41 HB2 HIS 6 HB2 HIS 6 2.960 10.535 -2.843 42 HB3 HIS 6 HB1 HIS 6 3.127 9.332 -1.564 43 HD1 HIS 6 HD1 HIS 6 5.184 11.277 -4.072 44 HD2 HIS 6 HD2 HIS 6 5.771 8.853 -0.731 45 HE1 HIS 6 HE1 HIS 6 7.640 11.455 -3.481 46 HE2 HIS 6 HE2 HIS 6 8.014 9.983 -1.446 47 H GLN 7 HN GLN 7 5.483 7.874 -4.638 48 HA GLN 7 HA GLN 7 5.855 9.890 -6.523 49 HB2 GLN 7 HB2 GLN 7 7.601 8.268 -5.873 50 HB3 GLN 7 HB1 GLN 7 6.728 6.998 -6.731 51 HG2 GLN 7 HG2 GLN 7 6.942 8.272 -8.835 52 HG3 GLN 7 HG1 GLN 7 7.825 9.535 -7.978 53 HE21 GLN 7 HE21 GLN 7 10.054 9.323 -8.142 54 HE22 GLN 7 HE22 GLN 7 10.881 7.858 -8.364 55 H VAL 8 HN VAL 8 5.014 10.330 -8.474 56 HA VAL 8 HA VAL 8 3.368 8.261 -9.792 57 HB VAL 8 HB VAL 8 1.940 9.935 -8.606 58 HG11 VAL 8 HG11 VAL 8 3.027 11.888 -10.649 59 HG12 VAL 8 HG12 VAL 8 3.599 11.825 -8.982 60 HG13 VAL 8 HG13 VAL 8 1.916 12.227 -9.321 61 HG21 VAL 8 HG21 VAL 8 1.011 8.821 -10.534 62 HG22 VAL 8 HG22 VAL 8 1.909 9.864 -11.637 63 HG23 VAL 8 HG23 VAL 8 0.592 10.529 -10.671 64 H GLU 9 HN GLU 9 3.514 8.166 -11.994 65 HA GLU 9 HA GLU 9 5.179 10.193 -13.342 66 HB2 GLU 9 HB2 GLU 9 5.930 8.027 -14.722 67 HB3 GLU 9 HB1 GLU 9 6.795 8.571 -13.287 68 HG2 GLU 9 HG2 GLU 9 6.298 6.131 -13.233 69 HG3 GLU 9 HG1 GLU 9 5.556 6.997 -11.891 70 H LYS 10 HN LYS 10 2.850 10.834 -13.799 71 HA LYS 10 HA LYS 10 1.192 9.287 -15.476 72 HB2 LYS 10 HB2 LYS 10 0.018 11.379 -15.935 73 HB3 LYS 10 HB1 LYS 10 0.416 11.274 -14.220 74 HG2 LYS 10 HG2 LYS 10 2.417 12.678 -14.604 75 HG3 LYS 10 HG1 LYS 10 1.991 12.804 -16.312 76 HD2 LYS 10 HD2 LYS 10 -0.144 13.877 -15.709 77 HD3 LYS 10 HD1 LYS 10 0.269 13.744 -13.999 78 HE2 LYS 10 HE2 LYS 10 2.245 15.165 -14.349 79 HE3 LYS 10 HE1 LYS 10 1.869 15.280 -16.068 80 HZ1 LYS 10 HZ1 LYS 10 0.548 16.534 -13.786 81 HZ2 LYS 10 HZ2 LYS 10 -0.435 16.060 -15.088 82 HZ3 LYS 10 HZ3 LYS 10 0.845 17.149 -15.339 83 H ARG 11 HN ARG 11 0.554 10.287 -17.731 84 HA ARG 11 HA ARG 11 2.930 11.028 -19.281 85 HB2 ARG 11 HB2 ARG 11 2.448 9.270 -20.961 86 HB3 ARG 11 HB1 ARG 11 2.896 8.593 -19.397 87 HG2 ARG 11 HG2 ARG 11 0.966 7.440 -19.374 88 HG3 ARG 11 HG1 ARG 11 0.085 8.966 -19.332 89 HD2 ARG 11 HD2 ARG 11 0.576 8.953 -21.932 90 HD3 ARG 11 HD1 ARG 11 0.741 7.220 -21.675 91 HE ARG 11 HE ARG 11 -1.705 8.752 -21.579 92 HH11 ARG 11 HH11 ARG 11 -0.053 5.882 -20.486 93 HH12 ARG 11 HH12 ARG 11 -1.516 5.004 -20.203 94 HH21 ARG 11 HH21 ARG 11 -3.600 7.583 -21.198 95 HH22 ARG 11 HH22 ARG 11 -3.513 5.958 -20.604 96 H LYS 12 HN LYS 12 2.355 11.669 -21.521 97 HA LYS 12 HA LYS 12 0.223 13.518 -21.534 98 HB2 LYS 12 HB2 LYS 12 0.743 13.786 -23.931 99 HB3 LYS 12 HB1 LYS 12 2.206 13.793 -22.945 100 HG2 LYS 12 HG2 LYS 12 2.532 11.381 -23.454 101 HG3 LYS 12 HG1 LYS 12 1.110 11.429 -24.498 102 HD2 LYS 12 HD2 LYS 12 2.165 13.053 -25.959 103 HD3 LYS 12 HD1 LYS 12 3.543 13.198 -24.868 104 HE2 LYS 12 HE2 LYS 12 4.109 11.721 -26.744 105 HE3 LYS 12 HE1 LYS 12 4.069 10.801 -25.240 106 HZ1 LYS 12 HZ1 LYS 12 2.898 9.627 -26.973 107 HZ2 LYS 12 HZ2 LYS 12 1.889 10.966 -27.251 108 HZ3 LYS 12 HZ3 LYS 12 1.800 10.122 -25.779 109 H CYS 13 HN CYS 13 -1.836 13.422 -22.252 110 HA CYS 13 HA CYS 13 -3.091 10.878 -22.529 111 HB2 CYS 13 HB2 CYS 13 -4.164 12.982 -21.622 112 HB3 CYS 13 HB1 CYS 13 -4.263 13.559 -23.286 113 H ASN 14 HN ASN 14 -1.784 10.024 -24.315 114 HA ASN 14 HA ASN 14 -2.217 11.207 -26.939 115 HB2 ASN 14 HB2 ASN 14 -0.780 9.346 -27.737 116 HB3 ASN 14 HB1 ASN 14 -0.015 10.298 -26.466 117 HD21 ASN 14 HD21 ASN 14 1.290 8.189 -26.192 118 HD22 ASN 14 HD22 ASN 14 0.629 6.989 -25.191 119 H THR 15 HN THR 15 -4.016 9.217 -24.970 120 HA THR 15 HA THR 15 -4.881 7.107 -26.530 121 HB THR 15 HB THR 15 -5.574 7.668 -24.150 122 HG1 THR 15 HG1 THR 15 -6.559 6.059 -25.557 123 HG21 THR 15 HG21 THR 15 -7.798 9.222 -25.458 124 HG22 THR 15 HG22 THR 15 -6.334 10.029 -24.898 125 HG23 THR 15 HG23 THR 15 -7.356 9.160 -23.753 126 H ALA 16 HN ALA 16 -6.772 6.840 -27.869 127 HA ALA 16 HA ALA 16 -6.903 8.587 -30.022 128 HB1 ALA 16 HB1 ALA 16 -7.745 6.134 -29.741 129 HB2 ALA 16 HB2 ALA 16 -8.569 7.207 -30.872 130 HB3 ALA 16 HB3 ALA 16 -9.267 6.899 -29.282 131 H THR 17 HN THR 17 -8.862 8.554 -27.071 132 HA THR 17 HA THR 17 -10.891 10.301 -27.938 133 HB THR 17 HB THR 17 -9.751 9.923 -25.159 134 HG1 THR 17 HG1 THR 17 -11.369 8.422 -24.972 135 HG21 THR 17 HG21 THR 17 -11.984 10.776 -24.447 136 HG22 THR 17 HG22 THR 17 -12.345 11.150 -26.132 137 HG23 THR 17 HG23 THR 17 -11.034 11.990 -25.304 138 H CYS 18 HN CYS 18 -7.856 11.007 -26.194 139 HA CYS 18 HA CYS 18 -8.231 13.827 -26.198 140 HB2 CYS 18 HB2 CYS 18 -5.821 12.061 -25.780 141 HB3 CYS 18 HB1 CYS 18 -5.716 13.821 -25.727 142 H ALA 19 HN ALA 19 -6.564 11.578 -28.355 143 HA ALA 19 HA ALA 19 -5.281 13.501 -29.976 144 HB1 ALA 19 HB1 ALA 19 -4.844 11.001 -29.922 145 HB2 ALA 19 HB2 ALA 19 -4.917 11.725 -31.528 146 HB3 ALA 19 HB3 ALA 19 -6.293 10.812 -30.909 147 H THR 20 HN THR 20 -8.499 12.034 -30.122 148 HA THR 20 HA THR 20 -9.338 12.870 -32.622 149 HB THR 20 HB THR 20 -10.949 12.700 -30.068 150 HG1 THR 20 HG1 THR 20 -10.657 10.662 -30.372 151 HG21 THR 20 HG21 THR 20 -11.778 12.777 -32.981 152 HG22 THR 20 HG22 THR 20 -12.153 13.981 -31.748 153 HG23 THR 20 HG23 THR 20 -12.858 12.367 -31.648 154 H GLN 21 HN GLN 21 -9.546 14.671 -29.541 155 HA GLN 21 HA GLN 21 -10.663 16.990 -30.850 156 HB2 GLN 21 HB2 GLN 21 -10.988 17.838 -28.748 157 HB3 GLN 21 HB1 GLN 21 -10.842 16.133 -28.325 158 HG2 GLN 21 HG2 GLN 21 -8.333 16.567 -28.057 159 HG3 GLN 21 HG1 GLN 21 -8.726 18.283 -28.129 160 HE21 GLN 21 HE21 GLN 21 -7.640 17.648 -25.764 161 HE22 GLN 21 HE22 GLN 21 -8.806 17.467 -24.543 162 H ARG 22 HN ARG 22 -7.491 15.839 -30.000 163 HA ARG 22 HA ARG 22 -6.103 18.302 -30.047 164 HB2 ARG 22 HB2 ARG 22 -5.061 16.326 -29.115 165 HB3 ARG 22 HB1 ARG 22 -5.175 15.487 -30.660 166 HG2 ARG 22 HG2 ARG 22 -2.896 16.373 -30.279 167 HG3 ARG 22 HG1 ARG 22 -3.648 17.130 -31.681 168 HD2 ARG 22 HD2 ARG 22 -2.490 18.756 -30.157 169 HD3 ARG 22 HD1 ARG 22 -4.199 19.106 -30.397 170 HE ARG 22 HE ARG 22 -4.566 18.627 -28.153 171 HH11 ARG 22 HH11 ARG 22 -1.420 17.488 -29.137 172 HH12 ARG 22 HH12 ARG 22 -0.923 17.109 -27.524 173 HH21 ARG 22 HH21 ARG 22 -3.890 18.123 -26.058 174 HH22 ARG 22 HH22 ARG 22 -2.310 17.465 -25.791 175 H LEU 23 HN LEU 23 -6.561 15.840 -32.586 176 HA LEU 23 HA LEU 23 -5.298 17.430 -34.603 177 HB2 LEU 23 HB2 LEU 23 -5.984 15.715 -36.150 178 HB3 LEU 23 HB1 LEU 23 -5.450 14.930 -34.665 179 HG LEU 23 HG LEU 23 -8.114 15.326 -34.147 180 HD11 LEU 23 HD11 LEU 23 -8.326 16.107 -36.566 181 HD12 LEU 23 HD12 LEU 23 -9.395 14.784 -36.101 182 HD13 LEU 23 HD13 LEU 23 -7.940 14.454 -37.041 183 HD21 LEU 23 HD21 LEU 23 -8.322 12.938 -34.460 184 HD22 LEU 23 HD22 LEU 23 -6.684 13.256 -33.888 185 HD23 LEU 23 HD23 LEU 23 -6.972 12.921 -35.595 186 H ALA 24 HN ALA 24 -8.536 17.186 -33.358 187 HA ALA 24 HA ALA 24 -10.060 18.095 -35.490 188 HB1 ALA 24 HB1 ALA 24 -10.598 19.186 -32.758 189 HB2 ALA 24 HB2 ALA 24 -10.697 17.444 -33.011 190 HB3 ALA 24 HB3 ALA 24 -11.724 18.530 -33.945 191 H ASN 25 HN ASN 25 -8.454 20.080 -32.984 192 HA ASN 25 HA ASN 25 -9.112 22.561 -34.219 193 HB2 ASN 25 HB2 ASN 25 -7.074 21.776 -32.135 194 HB3 ASN 25 HB1 ASN 25 -7.292 23.438 -32.679 195 HD21 ASN 25 HD21 ASN 25 -7.840 22.595 -29.964 196 HD22 ASN 25 HD22 ASN 25 -9.508 22.772 -29.699 197 H PHE 26 HN PHE 26 -6.338 20.390 -34.396 198 HA PHE 26 HA PHE 26 -4.560 22.093 -35.752 199 HB2 PHE 26 HB2 PHE 26 -3.881 19.948 -34.745 200 HB3 PHE 26 HB1 PHE 26 -4.812 19.083 -35.968 201 HD1 PHE 26 HD1 PHE 26 -1.961 21.427 -35.473 202 HD2 PHE 26 HD2 PHE 26 -3.944 18.719 -38.154 203 HE1 PHE 26 HE1 PHE 26 -0.040 21.567 -37.036 204 HE2 PHE 26 HE2 PHE 26 -2.023 18.859 -39.716 205 HZ PHE 26 HZ PHE 26 -0.071 20.283 -39.157 206 H LEU 27 HN LEU 27 -7.176 20.034 -36.910 207 HA LEU 27 HA LEU 27 -6.609 20.118 -39.654 208 HB2 LEU 27 HB2 LEU 27 -8.255 18.590 -38.651 209 HB3 LEU 27 HB1 LEU 27 -9.278 19.950 -38.217 210 HG LEU 27 HG LEU 27 -9.827 18.556 -40.355 211 HD11 LEU 27 HD11 LEU 27 -9.749 21.523 -40.854 212 HD12 LEU 27 HD12 LEU 27 -10.746 20.865 -39.557 213 HD13 LEU 27 HD13 LEU 27 -11.020 20.361 -41.223 214 HD21 LEU 27 HD21 LEU 27 -7.400 18.882 -41.195 215 HD22 LEU 27 HD22 LEU 27 -7.921 20.501 -41.657 216 HD23 LEU 27 HD23 LEU 27 -8.707 19.090 -42.359 217 H VAL 28 HN VAL 28 -8.762 22.178 -37.695 218 HA VAL 28 HA VAL 28 -9.299 23.975 -39.863 219 HB VAL 28 HB VAL 28 -10.473 25.315 -38.175 220 HG11 VAL 28 HG11 VAL 28 -11.447 23.185 -39.176 221 HG12 VAL 28 HG12 VAL 28 -12.159 23.699 -37.646 222 HG13 VAL 28 HG13 VAL 28 -10.993 22.376 -37.675 223 HG21 VAL 28 HG21 VAL 28 -9.350 23.295 -36.207 224 HG22 VAL 28 HG22 VAL 28 -10.481 24.592 -35.825 225 HG23 VAL 28 HG23 VAL 28 -8.838 24.977 -36.335 226 H HIS 29 HN HIS 29 -6.781 23.677 -37.542 227 HA HIS 29 HA HIS 29 -6.034 26.460 -37.472 228 HB2 HIS 29 HB2 HIS 29 -5.522 24.961 -35.597 229 HB3 HIS 29 HB1 HIS 29 -4.489 23.993 -36.648 230 HD1 HIS 29 HD1 HIS 29 -4.773 27.602 -35.445 231 HD2 HIS 29 HD2 HIS 29 -1.879 24.906 -36.764 232 HE1 HIS 29 HE1 HIS 29 -2.539 28.769 -35.195 233 HE2 HIS 29 HE2 HIS 29 -0.764 27.138 -35.995 234 H SER 30 HN SER 30 -4.894 23.554 -39.175 235 HA SER 30 HA SER 30 -2.864 25.087 -40.613 236 HB2 SER 30 HB2 SER 30 -2.458 22.773 -39.707 237 HB3 SER 30 HB1 SER 30 -3.604 22.176 -40.904 238 HG SER 30 HG SER 30 -2.260 23.197 -42.499 239 H SER 31 HN SER 31 -5.950 25.292 -41.016 240 HA SER 31 HA SER 31 -6.580 24.223 -43.530 241 HB2 SER 31 HB2 SER 31 -8.293 25.173 -42.064 242 HB3 SER 31 HB1 SER 31 -7.582 26.775 -42.239 243 HG SER 31 HG SER 31 -8.750 25.153 -44.258 244 H ASN 32 HN ASN 32 -5.344 27.427 -42.653 245 HA ASN 32 HA ASN 32 -5.142 28.612 -45.139 246 HB2 ASN 32 HB2 ASN 32 -3.035 29.735 -44.144 247 HB3 ASN 32 HB1 ASN 32 -4.572 29.979 -43.316 248 HD21 ASN 32 HD21 ASN 32 -1.349 28.945 -42.863 249 HD22 ASN 32 HD22 ASN 32 -1.553 28.207 -41.348 250 H ASN 33 HN ASN 33 -2.647 26.651 -43.531 251 HA ASN 33 HA ASN 33 -0.802 26.594 -45.661 252 HB2 ASN 33 HB2 ASN 33 -1.327 24.653 -43.407 253 HB3 ASN 33 HB1 ASN 33 0.010 24.477 -44.542 254 HD21 ASN 33 HD21 ASN 33 1.141 26.889 -44.828 255 HD22 ASN 33 HD22 ASN 33 1.561 27.589 -43.340 256 H PHE 34 HN PHE 34 -3.443 24.360 -44.833 257 HA PHE 34 HA PHE 34 -3.023 22.394 -46.728 258 HB2 PHE 34 HB2 PHE 34 -4.766 22.291 -44.989 259 HB3 PHE 34 HB1 PHE 34 -5.692 23.518 -45.854 260 HD1 PHE 34 HD1 PHE 34 -3.977 20.244 -46.526 261 HD2 PHE 34 HD2 PHE 34 -7.336 22.795 -47.338 262 HE1 PHE 34 HE1 PHE 34 -4.966 18.484 -47.966 263 HE2 PHE 34 HE2 PHE 34 -8.325 21.035 -48.778 264 HZ PHE 34 HZ PHE 34 -7.139 18.879 -49.092 265 H GLY 35 HN GLY 35 -5.002 25.342 -47.130 266 HA2 GLY 35 HA2 GLY 35 -5.598 24.869 -49.860 267 HA3 GLY 35 HA1 GLY 35 -5.770 26.407 -49.033 268 H ALA 36 HN ALA 36 -2.996 26.597 -48.235 269 HA ALA 36 HA ALA 36 -1.917 27.912 -50.501 270 HB1 ALA 36 HB1 ALA 36 -0.169 28.518 -49.124 271 HB2 ALA 36 HB2 ALA 36 -0.117 26.948 -48.322 272 HB3 ALA 36 HB3 ALA 36 -1.380 28.108 -47.908 273 H ILE 37 HN ILE 37 -1.294 24.716 -49.101 274 HA ILE 37 HA ILE 37 0.799 24.060 -50.948 275 HB ILE 37 HB ILE 37 -0.897 22.378 -49.094 276 HG12 ILE 37 HG12 ILE 37 2.057 23.046 -48.996 277 HG13 ILE 37 HG11 ILE 37 0.831 24.013 -48.175 278 HG21 ILE 37 HG21 ILE 37 0.867 20.616 -49.583 279 HG22 ILE 37 HG22 ILE 37 1.366 21.609 -50.953 280 HG23 ILE 37 HG23 ILE 37 -0.261 20.930 -50.902 281 HD11 ILE 37 HD11 ILE 37 1.302 21.048 -47.745 282 HD12 ILE 37 HD12 ILE 37 0.093 22.029 -46.916 283 HD13 ILE 37 HD13 ILE 37 1.810 22.332 -46.649 284 H LEU 38 HN LEU 38 -2.669 23.290 -50.758 285 HA LEU 38 HA LEU 38 -2.765 21.592 -52.998 286 HB2 LEU 38 HB2 LEU 38 -4.615 21.768 -51.394 287 HB3 LEU 38 HB1 LEU 38 -4.909 23.431 -51.899 288 HG LEU 38 HG LEU 38 -5.372 22.622 -54.208 289 HD11 LEU 38 HD11 LEU 38 -4.089 20.597 -54.299 290 HD12 LEU 38 HD12 LEU 38 -5.781 20.116 -54.416 291 HD13 LEU 38 HD13 LEU 38 -4.917 19.934 -52.890 292 HD21 LEU 38 HD21 LEU 38 -7.156 22.863 -52.407 293 HD22 LEU 38 HD22 LEU 38 -7.042 21.118 -52.178 294 HD23 LEU 38 HD23 LEU 38 -7.566 21.772 -53.730 295 H SER 39 HN SER 39 -3.313 25.086 -52.713 296 HA SER 39 HA SER 39 -3.994 25.713 -55.312 297 HB2 SER 39 HB2 SER 39 -3.877 27.314 -53.382 298 HB3 SER 39 HB1 SER 39 -2.128 27.349 -53.583 299 HG SER 39 HG SER 39 -3.966 28.733 -54.896 300 H SER 40 HN SER 40 -0.861 24.854 -54.010 301 HA SER 40 HA SER 40 0.460 25.477 -56.556 302 HB2 SER 40 HB2 SER 40 1.550 24.577 -53.882 303 HB3 SER 40 HB1 SER 40 2.539 24.859 -55.312 304 HG SER 40 HG SER 40 2.500 26.876 -54.754 305 H THR 41 HN THR 41 -1.474 23.344 -56.496 306 HA THR 41 HA THR 41 0.106 20.883 -56.538 307 HB THR 41 HB THR 41 -2.183 20.910 -55.542 308 HG1 THR 41 HG1 THR 41 -2.046 19.336 -57.889 309 HG21 THR 41 HG21 THR 41 -4.115 21.222 -56.888 310 HG22 THR 41 HG22 THR 41 -3.181 21.148 -58.383 311 HG23 THR 41 HG23 THR 41 -3.039 22.550 -57.323 312 H ASN 42 HN ASN 42 0.716 22.938 -58.487 313 HA ASN 42 HA ASN 42 -0.359 21.910 -61.005 314 HB2 ASN 42 HB2 ASN 42 0.795 23.779 -62.039 315 HB3 ASN 42 HB1 ASN 42 -0.117 24.359 -60.647 316 HD21 ASN 42 HD21 ASN 42 1.964 25.978 -61.433 317 HD22 ASN 42 HD22 ASN 42 3.273 25.838 -60.362 318 H VAL 43 HN VAL 43 1.598 20.440 -59.159 319 HA VAL 43 HA VAL 43 3.863 20.141 -61.014 320 HB VAL 43 HB VAL 43 4.196 20.539 -58.510 321 HG11 VAL 43 HG11 VAL 43 3.455 17.605 -58.355 322 HG12 VAL 43 HG12 VAL 43 2.368 18.906 -57.869 323 HG13 VAL 43 HG13 VAL 43 3.897 18.671 -57.023 324 HG21 VAL 43 HG21 VAL 43 5.415 17.965 -59.541 325 HG22 VAL 43 HG22 VAL 43 6.148 19.162 -58.474 326 HG23 VAL 43 HG23 VAL 43 5.876 19.546 -60.173 327 H GLY 44 HN GLY 44 0.890 18.884 -60.751 328 HA2 GLY 44 HA2 GLY 44 0.111 17.034 -61.990 329 HA3 GLY 44 HA1 GLY 44 1.726 16.336 -61.923 330 H SER 45 HN SER 45 0.471 17.595 -58.975 331 HA SER 45 HA SER 45 0.026 14.838 -58.010 332 HB2 SER 45 HB2 SER 45 0.542 15.746 -55.767 333 HB3 SER 45 HB1 SER 45 1.876 15.978 -56.893 334 HG SER 45 HG SER 45 0.716 17.811 -55.481 335 H ASN 46 HN ASN 46 -1.977 16.446 -59.391 336 HA ASN 46 HA ASN 46 -3.848 17.133 -57.227 337 HB2 ASN 46 HB2 ASN 46 -5.146 18.268 -58.910 338 HB3 ASN 46 HB1 ASN 46 -3.462 18.754 -59.101 339 HD21 ASN 46 HD21 ASN 46 -5.246 18.966 -61.297 340 HD22 ASN 46 HD22 ASN 46 -4.812 17.817 -62.468 341 H THR 47 HN THR 47 -3.088 14.353 -58.036 342 HA THR 47 HA THR 47 -5.641 13.361 -59.109 343 HB THR 47 HB THR 47 -3.383 11.521 -58.491 344 HG1 THR 47 HG1 THR 47 -2.140 12.908 -59.519 345 HG21 THR 47 HG21 THR 47 -5.344 10.563 -59.470 346 HG22 THR 47 HG22 THR 47 -4.146 10.657 -60.761 347 HG23 THR 47 HG23 THR 47 -5.446 11.845 -60.677 348 H TYR 48 HN TYR 48 -5.147 14.398 -56.312 349 HA TYR 48 HA TYR 48 -6.191 12.022 -54.909 350 HB2 TYR 48 HB2 TYR 48 -4.838 12.400 -53.012 351 HB3 TYR 48 HB1 TYR 48 -3.737 12.574 -54.379 352 HD1 TYR 48 HD1 TYR 48 -4.958 14.109 -51.419 353 HD2 TYR 48 HD2 TYR 48 -3.516 15.006 -55.365 354 HE1 TYR 48 HE1 TYR 48 -4.429 16.422 -50.700 355 HE2 TYR 48 HE2 TYR 48 -2.987 17.320 -54.645 356 HH TYR 48 HH TYR 48 -4.039 18.576 -51.582 357 H GLY 49 HN GLY 49 -7.344 14.548 -56.142 358 HA2 GLY 49 HA2 GLY 49 -8.183 16.334 -54.141 359 HA3 GLY 49 HA1 GLY 49 -9.025 16.043 -55.660 360 H LYS 50 HN LYS 50 -10.024 16.438 -52.869 361 HA LYS 50 HA LYS 50 -11.028 14.004 -51.836 362 HB2 LYS 50 HB2 LYS 50 -11.972 16.861 -51.555 363 HB3 LYS 50 HB1 LYS 50 -12.695 15.513 -50.678 364 HG2 LYS 50 HG2 LYS 50 -10.373 14.949 -49.831 365 HG3 LYS 50 HG1 LYS 50 -9.830 16.478 -50.522 366 HD2 LYS 50 HD2 LYS 50 -12.135 16.294 -48.571 367 HD3 LYS 50 HD1 LYS 50 -10.468 16.560 -48.058 368 HE2 LYS 50 HE2 LYS 50 -11.944 18.312 -50.045 369 HE3 LYS 50 HE1 LYS 50 -11.755 18.689 -48.333 370 HZ1 LYS 50 HZ1 LYS 50 -9.307 18.477 -48.701 371 HZ2 LYS 50 HZ2 LYS 50 -10.034 19.798 -49.485 372 HZ3 LYS 50 HZ3 LYS 50 -9.618 18.407 -50.367 373 H ARG 51 HN ARG 51 -12.261 16.274 -54.236 374 HA ARG 51 HA ARG 51 -14.884 15.292 -54.446 375 HB2 ARG 51 HB2 ARG 51 -14.982 16.419 -56.563 376 HB3 ARG 51 HB1 ARG 51 -13.986 17.404 -55.493 377 HG2 ARG 51 HG2 ARG 51 -11.952 16.296 -56.471 378 HG3 ARG 51 HG1 ARG 51 -13.008 15.495 -57.635 379 HD2 ARG 51 HD2 ARG 51 -13.807 17.714 -58.406 380 HD3 ARG 51 HD1 ARG 51 -12.694 18.489 -57.283 381 HE ARG 51 HE ARG 51 -12.018 17.243 -59.806 382 HH11 ARG 51 HH11 ARG 51 -10.874 18.217 -56.658 383 HH12 ARG 51 HH12 ARG 51 -9.223 18.327 -57.162 384 HH21 ARG 51 HH21 ARG 51 -9.855 17.398 -60.436 385 HH22 ARG 51 HH22 ARG 51 -8.647 17.867 -59.286 386 H ASN 52 HN ASN 52 -11.882 13.911 -55.419 387 HA ASN 52 HA ASN 52 -12.736 12.286 -57.561 388 HB2 ASN 52 HB2 ASN 52 -10.342 12.770 -56.431 389 HB3 ASN 52 HB1 ASN 52 -10.693 11.205 -55.700 390 HD21 ASN 52 HD21 ASN 52 -12.161 10.034 -57.884 391 HD22 ASN 52 HD22 ASN 52 -11.083 9.809 -59.176 392 H ALA 53 HN ALA 53 -13.240 12.064 -54.139 393 HA ALA 53 HA ALA 53 -13.646 9.329 -53.793 394 HB1 ALA 53 HB1 ALA 53 -14.608 9.875 -51.766 395 HB2 ALA 53 HB2 ALA 53 -15.459 11.272 -52.425 396 HB3 ALA 53 HB3 ALA 53 -13.726 11.363 -52.110 397 H VAL 54 HN VAL 54 -15.839 11.821 -55.026 398 HA VAL 54 HA VAL 54 -18.082 10.026 -55.200 399 HB VAL 54 HB VAL 54 -17.998 12.671 -55.059 400 HG11 VAL 54 HG11 VAL 54 -18.307 12.236 -58.038 401 HG12 VAL 54 HG12 VAL 54 -16.796 12.771 -57.304 402 HG13 VAL 54 HG13 VAL 54 -18.242 13.770 -57.171 403 HG21 VAL 54 HG21 VAL 54 -20.291 12.692 -55.986 404 HG22 VAL 54 HG22 VAL 54 -20.025 11.274 -54.972 405 HG23 VAL 54 HG23 VAL 54 -20.001 11.119 -56.728 406 H GLU 55 HN GLU 55 -15.509 11.080 -57.350 407 HA GLU 55 HA GLU 55 -16.621 10.145 -59.780 408 HB2 GLU 55 HB2 GLU 55 -13.760 10.556 -58.894 409 HB3 GLU 55 HB1 GLU 55 -14.212 10.108 -60.539 410 HG2 GLU 55 HG2 GLU 55 -15.325 12.537 -59.115 411 HG3 GLU 55 HG1 GLU 55 -13.909 12.595 -60.163 412 H VAL 56 HN VAL 56 -14.316 8.612 -57.526 413 HA VAL 56 HA VAL 56 -14.141 6.175 -58.951 414 HB VAL 56 HB VAL 56 -12.467 6.800 -57.286 415 HG11 VAL 56 HG11 VAL 56 -14.571 6.257 -55.179 416 HG12 VAL 56 HG12 VAL 56 -14.159 7.882 -55.726 417 HG13 VAL 56 HG13 VAL 56 -12.941 6.883 -54.937 418 HG21 VAL 56 HG21 VAL 56 -12.224 4.642 -56.247 419 HG22 VAL 56 HG22 VAL 56 -12.998 4.374 -57.809 420 HG23 VAL 56 HG23 VAL 56 -13.960 4.343 -56.331 421 H LEU 57 HN LEU 57 -16.234 7.212 -56.273 422 HA LEU 57 HA LEU 57 -17.485 4.861 -55.601 423 HB2 LEU 57 HB2 LEU 57 -18.078 7.677 -55.383 424 HB3 LEU 57 HB1 LEU 57 -19.549 6.766 -55.723 425 HG LEU 57 HG LEU 57 -18.675 5.131 -53.888 426 HD11 LEU 57 HD11 LEU 57 -16.430 6.341 -53.821 427 HD12 LEU 57 HD12 LEU 57 -17.195 6.068 -52.256 428 HD13 LEU 57 HD13 LEU 57 -17.268 7.662 -53.006 429 HD21 LEU 57 HD21 LEU 57 -20.648 6.739 -53.771 430 HD22 LEU 57 HD22 LEU 57 -19.557 7.890 -53.001 431 HD23 LEU 57 HD23 LEU 57 -19.904 6.347 -52.220 432 H LYS 58 HN LYS 58 -18.440 7.064 -58.247 433 HA LYS 58 HA LYS 58 -20.605 5.526 -59.162 434 HB2 LYS 58 HB2 LYS 58 -18.808 7.510 -60.561 435 HB3 LYS 58 HB1 LYS 58 -20.199 6.763 -61.349 436 HG2 LYS 58 HG2 LYS 58 -20.463 8.152 -58.681 437 HG3 LYS 58 HG1 LYS 58 -20.581 9.043 -60.199 438 HD2 LYS 58 HD2 LYS 58 -22.365 7.428 -60.930 439 HD3 LYS 58 HD1 LYS 58 -22.320 6.725 -59.312 440 HE2 LYS 58 HE2 LYS 58 -22.846 9.658 -59.861 441 HE3 LYS 58 HE1 LYS 58 -24.117 8.461 -59.611 442 HZ1 LYS 58 HZ1 LYS 58 -22.931 7.926 -57.464 443 HZ2 LYS 58 HZ2 LYS 58 -23.734 9.422 -57.526 444 HZ3 LYS 58 HZ3 LYS 58 -22.045 9.353 -57.696 445 H ARG 59 HN ARG 59 -17.167 5.437 -59.930 446 HA ARG 59 HA ARG 59 -17.323 3.615 -62.099 447 HB2 ARG 59 HB2 ARG 59 -15.341 5.050 -61.552 448 HB3 ARG 59 HB1 ARG 59 -15.014 3.990 -60.180 449 HG2 ARG 59 HG2 ARG 59 -15.444 2.583 -62.740 450 HG3 ARG 59 HG1 ARG 59 -14.004 3.600 -62.693 451 HD2 ARG 59 HD2 ARG 59 -13.299 2.495 -60.597 452 HD3 ARG 59 HD1 ARG 59 -14.726 1.466 -60.665 453 HE ARG 59 HE ARG 59 -13.405 1.142 -63.093 454 HH11 ARG 59 HH11 ARG 59 -12.750 0.647 -59.703 455 HH12 ARG 59 HH12 ARG 59 -11.670 -0.674 -59.984 456 HH21 ARG 59 HH21 ARG 59 -11.993 -0.589 -63.428 457 HH22 ARG 59 HH22 ARG 59 -11.243 -1.371 -62.078 458 H GLU 60 HN GLU 60 -17.057 3.209 -58.610 459 HA GLU 60 HA GLU 60 -17.126 0.278 -58.948 460 HB2 GLU 60 HB2 GLU 60 -15.251 1.152 -57.617 461 HB3 GLU 60 HB1 GLU 60 -16.397 1.927 -56.521 462 HG2 GLU 60 HG2 GLU 60 -17.362 -0.265 -55.958 463 HG3 GLU 60 HG1 GLU 60 -16.244 -1.051 -57.072 464 HA PRO 61 HA PRO 61 -21.416 1.373 -57.580 465 HB2 PRO 61 HB2 PRO 61 -22.590 -0.844 -58.714 466 HB3 PRO 61 HB1 PRO 61 -22.343 0.695 -59.559 467 HG2 PRO 61 HG2 PRO 61 -20.766 -1.819 -59.702 468 HG3 PRO 61 HG1 PRO 61 -21.179 -0.667 -60.983 469 HD2 PRO 61 HD2 PRO 61 -18.717 -0.743 -59.807 470 HD3 PRO 61 HD1 PRO 61 -19.423 0.749 -60.465 471 H LEU 62 HN LEU 62 -19.237 -1.102 -56.850 472 HA LEU 62 HA LEU 62 -20.812 -2.914 -55.385 473 HB2 LEU 62 HB2 LEU 62 -18.344 -3.120 -56.073 474 HB3 LEU 62 HB1 LEU 62 -17.990 -2.154 -54.640 475 HG LEU 62 HG LEU 62 -19.463 -3.873 -53.375 476 HD11 LEU 62 HD11 LEU 62 -20.455 -5.026 -55.236 477 HD12 LEU 62 HD12 LEU 62 -19.327 -6.154 -54.484 478 HD13 LEU 62 HD13 LEU 62 -18.879 -5.319 -55.971 479 HD21 LEU 62 HD21 LEU 62 -17.536 -5.239 -52.936 480 HD22 LEU 62 HD22 LEU 62 -16.929 -3.625 -53.303 481 HD23 LEU 62 HD23 LEU 62 -16.853 -4.894 -54.524 482 H ASN 63 HN ASN 63 -19.198 0.102 -54.403 483 HA ASN 63 HA ASN 63 -19.815 -0.087 -51.654 484 HB2 ASN 63 HB2 ASN 63 -19.604 2.490 -51.785 485 HB3 ASN 63 HB1 ASN 63 -18.190 1.512 -52.163 486 HD21 ASN 63 HD21 ASN 63 -21.070 2.756 -53.975 487 HD22 ASN 63 HD22 ASN 63 -20.171 3.249 -55.327 488 H TYR 64 HN TYR 64 -21.821 0.546 -54.364 489 HA TYR 64 HA TYR 64 -23.815 2.117 -53.007 490 HB2 TYR 64 HB2 TYR 64 -23.474 2.064 -55.503 491 HB3 TYR 64 HB1 TYR 64 -24.156 0.437 -55.497 492 HD1 TYR 64 HD1 TYR 64 -24.862 4.004 -54.762 493 HD2 TYR 64 HD2 TYR 64 -26.509 0.061 -55.201 494 HE1 TYR 64 HE1 TYR 64 -27.151 4.959 -54.751 495 HE2 TYR 64 HE2 TYR 64 -28.798 1.016 -55.190 496 HH TYR 64 HH TYR 64 -29.348 4.462 -54.588 497 H LEU 65 HN LEU 65 -23.551 -1.307 -53.959 498 HA LEU 65 HA LEU 65 -26.018 -2.054 -52.732 499 HB2 LEU 65 HB2 LEU 65 -23.642 -3.701 -53.630 500 HB3 LEU 65 HB1 LEU 65 -25.175 -4.382 -53.091 501 HG LEU 65 HG LEU 65 -24.957 -2.386 -55.356 502 HD11 LEU 65 HD11 LEU 65 -25.371 -4.445 -56.794 503 HD12 LEU 65 HD12 LEU 65 -24.960 -5.414 -55.379 504 HD13 LEU 65 HD13 LEU 65 -23.759 -4.333 -56.086 505 HD21 LEU 65 HD21 LEU 65 -27.226 -3.449 -55.880 506 HD22 LEU 65 HD22 LEU 65 -27.169 -2.434 -54.440 507 HD23 LEU 65 HD23 LEU 65 -27.140 -4.190 -54.282 508 HA PRO 66 HA PRO 66 -25.035 -2.600 -48.475 509 HB2 PRO 66 HB2 PRO 66 -25.804 -5.473 -48.703 510 HB3 PRO 66 HB1 PRO 66 -26.412 -4.225 -47.598 511 HG2 PRO 66 HG2 PRO 66 -27.854 -5.069 -49.669 512 HG3 PRO 66 HG1 PRO 66 -27.877 -3.376 -49.147 513 HD2 PRO 66 HD2 PRO 66 -26.539 -4.597 -51.523 514 HD3 PRO 66 HD1 PRO 66 -27.250 -2.979 -51.334 515 H LEU 67 HN LEU 67 -23.243 -3.102 -47.280 516 HA LEU 67 HA LEU 67 -21.643 -5.433 -47.727 517 HB2 LEU 67 HB2 LEU 67 -21.125 -3.282 -49.456 518 HB3 LEU 67 HB1 LEU 67 -19.853 -3.220 -48.236 519 HG LEU 67 HG LEU 67 -20.620 -5.815 -49.571 520 HD11 LEU 67 HD11 LEU 67 -18.684 -3.687 -50.516 521 HD12 LEU 67 HD12 LEU 67 -20.025 -4.397 -51.414 522 HD13 LEU 67 HD13 LEU 67 -18.598 -5.366 -51.049 523 HD21 LEU 67 HD21 LEU 67 -19.276 -6.080 -47.597 524 HD22 LEU 67 HD22 LEU 67 -18.205 -4.762 -48.075 525 HD23 LEU 67 HD23 LEU 67 -18.189 -6.281 -48.971 Start of MODEL 9 1 H1 THR 1 HT1 THR 1 -3.729 -5.039 -0.287 2 H2 THR 1 HT2 THR 1 -3.907 -3.553 0.518 3 H3 THR 1 HT3 THR 1 -3.994 -5.010 1.388 4 HA THR 1 HA THR 1 -1.769 -5.332 1.407 5 HB THR 1 HB THR 1 -2.019 -4.871 -1.281 6 HG1 THR 1 HG1 THR 1 0.585 -4.860 -0.342 7 HG21 THR 1 HG21 THR 1 -0.574 -3.082 -1.957 8 HG22 THR 1 HG22 THR 1 -0.061 -2.777 -0.299 9 HG23 THR 1 HG23 THR 1 -1.711 -2.393 -0.798 10 HA PRO 2 HA PRO 2 -1.054 -1.645 3.729 11 HB2 PRO 2 HB2 PRO 2 1.606 -1.865 4.285 12 HB3 PRO 2 HB1 PRO 2 0.374 -2.900 5.033 13 HG2 PRO 2 HG2 PRO 2 2.236 -3.490 2.791 14 HG3 PRO 2 HG1 PRO 2 1.691 -4.535 4.114 15 HD2 PRO 2 HD2 PRO 2 0.669 -4.652 1.558 16 HD3 PRO 2 HD1 PRO 2 -0.228 -5.162 3.004 17 H ILE 3 HN ILE 3 0.229 0.390 3.800 18 HA ILE 3 HA ILE 3 0.434 1.604 1.273 19 HB ILE 3 HB ILE 3 0.149 2.697 3.591 20 HG12 ILE 3 HG12 ILE 3 1.586 4.715 2.757 21 HG13 ILE 3 HG11 ILE 3 1.885 3.704 1.344 22 HG21 ILE 3 HG21 ILE 3 2.286 1.591 4.443 23 HG22 ILE 3 HG22 ILE 3 2.141 3.320 4.760 24 HG23 ILE 3 HG23 ILE 3 3.171 2.747 3.448 25 HD11 ILE 3 HD11 ILE 3 -0.774 4.707 2.376 26 HD12 ILE 3 HD12 ILE 3 -0.650 3.403 1.195 27 HD13 ILE 3 HD13 ILE 3 -0.038 5.010 0.803 28 H GLU 4 HN GLU 4 2.169 2.139 -0.023 29 HA GLU 4 HA GLU 4 4.383 0.330 -0.008 30 HB2 GLU 4 HB2 GLU 4 5.145 1.576 -1.966 31 HB3 GLU 4 HB1 GLU 4 3.413 1.263 -2.088 32 HG2 GLU 4 HG2 GLU 4 2.956 3.532 -1.198 33 HG3 GLU 4 HG1 GLU 4 4.690 3.845 -1.140 34 H SER 5 HN SER 5 6.673 1.185 -0.216 35 HA SER 5 HA SER 5 7.387 2.521 2.191 36 HB2 SER 5 HB2 SER 5 9.661 2.299 1.428 37 HB3 SER 5 HB1 SER 5 8.800 0.827 0.991 38 HG SER 5 HG SER 5 9.656 1.335 -0.895 39 H HIS 6 HN HIS 6 8.740 4.487 2.288 40 HA HIS 6 HA HIS 6 7.556 6.585 0.632 41 HB2 HIS 6 HB2 HIS 6 8.594 8.126 2.242 42 HB3 HIS 6 HB1 HIS 6 7.630 6.902 3.068 43 HD1 HIS 6 HD1 HIS 6 11.227 7.790 2.290 44 HD2 HIS 6 HD2 HIS 6 9.089 5.203 4.763 45 HE1 HIS 6 HE1 HIS 6 12.912 6.757 3.875 46 HE2 HIS 6 HE2 HIS 6 11.624 5.178 5.389 47 H GLN 7 HN GLN 7 9.678 4.635 -0.320 48 HA GLN 7 HA GLN 7 12.126 6.033 -0.628 49 HB2 GLN 7 HB2 GLN 7 11.903 3.591 -0.945 50 HB3 GLN 7 HB1 GLN 7 10.933 3.879 -2.390 51 HG2 GLN 7 HG2 GLN 7 12.826 5.111 -3.403 52 HG3 GLN 7 HG1 GLN 7 13.797 4.780 -1.970 53 HE21 GLN 7 HE21 GLN 7 15.106 2.965 -2.170 54 HE22 GLN 7 HE22 GLN 7 14.787 1.640 -3.183 55 H VAL 8 HN VAL 8 12.800 7.491 -2.107 56 HA VAL 8 HA VAL 8 11.051 8.094 -4.399 57 HB VAL 8 HB VAL 8 10.446 9.722 -2.700 58 HG11 VAL 8 HG11 VAL 8 12.341 9.658 -1.236 59 HG12 VAL 8 HG12 VAL 8 12.279 11.296 -1.888 60 HG13 VAL 8 HG13 VAL 8 13.440 10.134 -2.531 61 HG21 VAL 8 HG21 VAL 8 10.785 10.420 -5.125 62 HG22 VAL 8 HG22 VAL 8 12.357 11.054 -4.638 63 HG23 VAL 8 HG23 VAL 8 10.882 11.730 -3.949 64 H GLU 9 HN GLU 9 12.111 8.892 -6.211 65 HA GLU 9 HA GLU 9 15.014 9.283 -6.059 66 HB2 GLU 9 HB2 GLU 9 15.016 7.826 -8.279 67 HB3 GLU 9 HB1 GLU 9 15.183 7.076 -6.693 68 HG2 GLU 9 HG2 GLU 9 13.483 5.952 -8.160 69 HG3 GLU 9 HG1 GLU 9 12.822 6.532 -6.633 70 H LYS 10 HN LYS 10 15.894 10.204 -8.074 71 HA LYS 10 HA LYS 10 13.871 11.579 -9.720 72 HB2 LYS 10 HB2 LYS 10 15.128 13.670 -9.568 73 HB3 LYS 10 HB1 LYS 10 14.639 13.138 -7.959 74 HG2 LYS 10 HG2 LYS 10 16.883 12.107 -7.647 75 HG3 LYS 10 HG1 LYS 10 17.367 12.736 -9.222 76 HD2 LYS 10 HD2 LYS 10 17.079 15.016 -8.478 77 HD3 LYS 10 HD1 LYS 10 16.358 14.480 -6.960 78 HE2 LYS 10 HE2 LYS 10 18.768 13.123 -7.002 79 HE3 LYS 10 HE1 LYS 10 19.186 14.682 -7.711 80 HZ1 LYS 10 HZ1 LYS 10 17.896 14.182 -5.089 81 HZ2 LYS 10 HZ2 LYS 10 18.004 15.723 -5.797 82 HZ3 LYS 10 HZ3 LYS 10 19.416 14.877 -5.376 83 H ARG 11 HN ARG 11 14.550 12.118 -11.820 84 HA ARG 11 HA ARG 11 17.219 11.266 -12.656 85 HB2 ARG 11 HB2 ARG 11 16.032 10.086 -14.663 86 HB3 ARG 11 HB1 ARG 11 16.215 9.227 -13.138 87 HG2 ARG 11 HG2 ARG 11 13.947 8.907 -13.917 88 HG3 ARG 11 HG1 ARG 11 13.882 9.969 -12.517 89 HD2 ARG 11 HD2 ARG 11 14.196 11.330 -15.129 90 HD3 ARG 11 HD1 ARG 11 12.660 10.505 -14.889 91 HE ARG 11 HE ARG 11 13.574 12.880 -13.518 92 HH11 ARG 11 HH11 ARG 11 11.489 10.087 -13.385 93 HH12 ARG 11 HH12 ARG 11 10.387 10.816 -12.270 94 HH21 ARG 11 HH21 ARG 11 12.116 13.807 -12.062 95 HH22 ARG 11 HH22 ARG 11 10.737 12.908 -11.524 96 H LYS 12 HN LYS 12 17.316 11.623 -15.197 97 HA LYS 12 HA LYS 12 16.726 14.431 -15.568 98 HB2 LYS 12 HB2 LYS 12 18.000 14.219 -17.627 99 HB3 LYS 12 HB1 LYS 12 18.867 13.409 -16.321 100 HG2 LYS 12 HG2 LYS 12 17.833 11.243 -17.057 101 HG3 LYS 12 HG1 LYS 12 17.146 12.095 -18.441 102 HD2 LYS 12 HD2 LYS 12 19.400 12.733 -19.189 103 HD3 LYS 12 HD1 LYS 12 20.104 11.922 -17.790 104 HE2 LYS 12 HE2 LYS 12 20.278 10.382 -19.619 105 HE3 LYS 12 HE1 LYS 12 18.967 9.794 -18.596 106 HZ1 LYS 12 HZ1 LYS 12 17.922 9.746 -20.588 107 HZ2 LYS 12 HZ2 LYS 12 18.861 10.996 -21.254 108 HZ3 LYS 12 HZ3 LYS 12 17.588 11.359 -20.189 109 H CYS 13 HN CYS 13 15.426 15.325 -17.188 110 HA CYS 13 HA CYS 13 12.984 14.005 -17.698 111 HB2 CYS 13 HB2 CYS 13 14.116 16.601 -18.159 112 HB3 CYS 13 HB1 CYS 13 13.335 16.042 -19.638 113 H ASN 14 HN ASN 14 13.325 12.033 -18.696 114 HA ASN 14 HA ASN 14 14.392 12.150 -21.453 115 HB2 ASN 14 HB2 ASN 14 14.668 9.630 -21.130 116 HB3 ASN 14 HB1 ASN 14 15.768 10.666 -20.223 117 HD21 ASN 14 HD21 ASN 14 15.945 10.095 -18.059 118 HD22 ASN 14 HD22 ASN 14 14.738 9.318 -17.153 119 H THR 15 HN THR 15 11.767 11.016 -19.392 120 HA THR 15 HA THR 15 10.304 9.403 -21.049 121 HB THR 15 HB THR 15 8.777 11.495 -19.586 122 HG1 THR 15 HG1 THR 15 10.291 9.516 -18.248 123 HG21 THR 15 HG21 THR 15 8.746 8.482 -19.833 124 HG22 THR 15 HG22 THR 15 7.544 9.630 -20.424 125 HG23 THR 15 HG23 THR 15 7.721 9.352 -18.692 126 H ALA 16 HN ALA 16 8.754 9.669 -22.642 127 HA ALA 16 HA ALA 16 9.168 11.761 -24.501 128 HB1 ALA 16 HB1 ALA 16 6.638 10.168 -24.505 129 HB2 ALA 16 HB2 ALA 16 8.169 9.336 -24.777 130 HB3 ALA 16 HB3 ALA 16 7.670 10.640 -25.855 131 H THR 17 HN THR 17 7.137 11.508 -21.718 132 HA THR 17 HA THR 17 5.122 13.367 -22.499 133 HB THR 17 HB THR 17 6.065 12.551 -19.740 134 HG1 THR 17 HG1 THR 17 4.230 11.190 -19.892 135 HG21 THR 17 HG21 THR 17 3.817 13.363 -19.044 136 HG22 THR 17 HG22 THR 17 3.558 13.973 -20.678 137 HG23 THR 17 HG23 THR 17 4.835 14.659 -19.673 138 H CYS 18 HN CYS 18 8.201 13.660 -20.776 139 HA CYS 18 HA CYS 18 7.971 16.356 -20.010 140 HB2 CYS 18 HB2 CYS 18 9.721 14.709 -19.235 141 HB3 CYS 18 HB1 CYS 18 10.532 14.950 -20.782 142 H ALA 19 HN ALA 19 9.361 14.885 -22.935 143 HA ALA 19 HA ALA 19 10.146 17.337 -24.137 144 HB1 ALA 19 HB1 ALA 19 11.225 15.522 -25.086 145 HB2 ALA 19 HB2 ALA 19 9.957 15.810 -26.278 146 HB3 ALA 19 HB3 ALA 19 9.771 14.524 -25.085 147 H THR 20 HN THR 20 7.137 15.557 -24.048 148 HA THR 20 HA THR 20 5.858 16.709 -26.267 149 HB THR 20 HB THR 20 4.654 15.736 -23.667 150 HG1 THR 20 HG1 THR 20 5.317 14.515 -26.128 151 HG21 THR 20 HG21 THR 20 3.439 16.244 -26.396 152 HG22 THR 20 HG22 THR 20 3.075 17.118 -24.908 153 HG23 THR 20 HG23 THR 20 2.618 15.422 -25.070 154 H GLN 21 HN GLN 21 6.021 17.803 -22.879 155 HA GLN 21 HA GLN 21 4.267 20.023 -23.327 156 HB2 GLN 21 HB2 GLN 21 4.462 20.446 -21.082 157 HB3 GLN 21 HB1 GLN 21 4.957 18.755 -21.102 158 HG2 GLN 21 HG2 GLN 21 7.351 19.598 -21.371 159 HG3 GLN 21 HG1 GLN 21 6.729 21.201 -20.987 160 HE21 GLN 21 HE21 GLN 21 7.703 21.403 -18.895 161 HE22 GLN 21 HE22 GLN 21 7.297 20.390 -17.595 162 H ARG 22 HN ARG 22 7.768 19.594 -23.454 163 HA ARG 22 HA ARG 22 8.226 22.457 -23.652 164 HB2 ARG 22 HB2 ARG 22 10.500 21.991 -23.556 165 HB3 ARG 22 HB1 ARG 22 9.811 20.674 -22.613 166 HG2 ARG 22 HG2 ARG 22 11.141 19.413 -23.987 167 HG3 ARG 22 HG1 ARG 22 9.747 19.529 -25.050 168 HD2 ARG 22 HD2 ARG 22 11.099 20.477 -26.581 169 HD3 ARG 22 HD1 ARG 22 11.201 21.880 -25.522 170 HE ARG 22 HE ARG 22 13.342 21.209 -24.918 171 HH11 ARG 22 HH11 ARG 22 11.672 18.614 -26.543 172 HH12 ARG 22 HH12 ARG 22 13.080 17.615 -26.647 173 HH21 ARG 22 HH21 ARG 22 15.163 19.880 -25.062 174 HH22 ARG 22 HH22 ARG 22 15.045 18.325 -25.815 175 H LEU 23 HN LEU 23 7.685 19.795 -25.788 176 HA LEU 23 HA LEU 23 8.800 21.060 -28.127 177 HB2 LEU 23 HB2 LEU 23 8.602 18.577 -27.866 178 HB3 LEU 23 HB1 LEU 23 6.852 18.747 -27.979 179 HG LEU 23 HG LEU 23 7.337 20.012 -30.199 180 HD11 LEU 23 HD11 LEU 23 9.833 20.092 -29.669 181 HD12 LEU 23 HD12 LEU 23 9.413 19.524 -31.285 182 HD13 LEU 23 HD13 LEU 23 9.872 18.368 -30.035 183 HD21 LEU 23 HD21 LEU 23 7.576 17.771 -31.397 184 HD22 LEU 23 HD22 LEU 23 6.242 17.879 -30.248 185 HD23 LEU 23 HD23 LEU 23 7.725 17.035 -29.802 186 H ALA 24 HN ALA 24 5.570 20.636 -26.735 187 HA ALA 24 HA ALA 24 4.073 21.707 -28.851 188 HB1 ALA 24 HB1 ALA 24 3.242 22.236 -26.031 189 HB2 ALA 24 HB2 ALA 24 3.367 20.561 -26.571 190 HB3 ALA 24 HB3 ALA 24 2.281 21.677 -27.400 191 H ASN 25 HN ASN 25 5.523 23.316 -26.015 192 HA ASN 25 HA ASN 25 4.550 25.901 -26.603 193 HB2 ASN 25 HB2 ASN 25 6.921 24.920 -25.016 194 HB3 ASN 25 HB1 ASN 25 6.526 26.631 -25.162 195 HD21 ASN 25 HD21 ASN 25 6.407 25.600 -22.608 196 HD22 ASN 25 HD22 ASN 25 4.794 25.403 -22.117 197 H PHE 26 HN PHE 26 7.544 24.227 -27.488 198 HA PHE 26 HA PHE 26 8.719 26.467 -28.815 199 HB2 PHE 26 HB2 PHE 26 10.040 24.561 -27.943 200 HB3 PHE 26 HB1 PHE 26 9.311 23.519 -29.166 201 HD1 PHE 26 HD1 PHE 26 11.404 26.560 -28.680 202 HD2 PHE 26 HD2 PHE 26 10.094 23.517 -31.414 203 HE1 PHE 26 HE1 PHE 26 13.091 27.318 -30.332 204 HE2 PHE 26 HE2 PHE 26 11.781 24.275 -33.066 205 HZ PHE 26 HZ PHE 26 13.279 26.176 -32.525 206 H LEU 27 HN LEU 27 6.500 23.944 -29.758 207 HA LEU 27 HA LEU 27 6.824 24.033 -32.542 208 HB2 LEU 27 HB2 LEU 27 5.541 22.279 -31.440 209 HB3 LEU 27 HB1 LEU 27 4.376 23.452 -30.849 210 HG LEU 27 HG LEU 27 3.838 22.005 -32.975 211 HD11 LEU 27 HD11 LEU 27 3.292 24.946 -33.311 212 HD12 LEU 27 HD12 LEU 27 2.603 24.063 -31.950 213 HD13 LEU 27 HD13 LEU 27 2.228 23.572 -33.600 214 HD21 LEU 27 HD21 LEU 27 6.038 22.832 -34.063 215 HD22 LEU 27 HD22 LEU 27 5.159 24.327 -34.375 216 HD23 LEU 27 HD23 LEU 27 4.585 22.809 -35.059 217 H VAL 28 HN VAL 28 4.256 25.599 -30.607 218 HA VAL 28 HA VAL 28 3.382 27.278 -32.710 219 HB VAL 28 HB VAL 28 2.056 28.403 -30.996 220 HG11 VAL 28 HG11 VAL 28 1.485 26.071 -31.857 221 HG12 VAL 28 HG12 VAL 28 0.763 26.509 -30.309 222 HG13 VAL 28 HG13 VAL 28 2.170 25.447 -30.357 223 HG21 VAL 28 HG21 VAL 28 3.745 26.780 -29.064 224 HG22 VAL 28 HG22 VAL 28 2.323 27.722 -28.617 225 HG23 VAL 28 HG23 VAL 28 3.760 28.536 -29.235 226 H HIS 29 HN HIS 29 6.024 27.504 -30.522 227 HA HIS 29 HA HIS 29 6.245 30.404 -30.706 228 HB2 HIS 29 HB2 HIS 29 6.811 29.150 -28.611 229 HB3 HIS 29 HB1 HIS 29 8.174 28.432 -29.468 230 HD1 HIS 29 HD1 HIS 29 6.820 31.974 -28.951 231 HD2 HIS 29 HD2 HIS 29 10.451 29.930 -29.096 232 HE1 HIS 29 HE1 HIS 29 8.629 33.693 -28.512 233 HE2 HIS 29 HE2 HIS 29 10.848 32.462 -28.597 234 H SER 30 HN SER 30 7.434 27.598 -32.345 235 HA SER 30 HA SER 30 9.511 29.203 -33.710 236 HB2 SER 30 HB2 SER 30 10.308 27.161 -32.575 237 HB3 SER 30 HB1 SER 30 9.181 26.202 -33.530 238 HG SER 30 HG SER 30 10.272 26.829 -35.381 239 H SER 31 HN SER 31 6.456 28.914 -34.215 240 HA SER 31 HA SER 31 6.115 27.510 -36.640 241 HB2 SER 31 HB2 SER 31 4.211 28.212 -35.286 242 HB3 SER 31 HB1 SER 31 4.613 29.905 -35.557 243 HG SER 31 HG SER 31 4.066 29.700 -37.665 244 H ASN 32 HN ASN 32 6.612 30.968 -36.017 245 HA ASN 32 HA ASN 32 6.702 31.889 -38.640 246 HB2 ASN 32 HB2 ASN 32 8.318 33.657 -37.629 247 HB3 ASN 32 HB1 ASN 32 6.665 33.570 -37.023 248 HD21 ASN 32 HD21 ASN 32 9.936 33.527 -36.060 249 HD22 ASN 32 HD22 ASN 32 9.709 32.941 -34.483 250 H ASN 33 HN ASN 33 9.509 31.057 -36.603 251 HA ASN 33 HA ASN 33 11.450 31.282 -38.625 252 HB2 ASN 33 HB2 ASN 33 11.388 29.632 -36.094 253 HB3 ASN 33 HB1 ASN 33 12.805 29.751 -37.136 254 HD21 ASN 33 HD21 ASN 33 13.387 32.200 -37.673 255 HD22 ASN 33 HD22 ASN 33 13.305 33.267 -36.356 256 H PHE 34 HN PHE 34 9.530 28.486 -37.573 257 HA PHE 34 HA PHE 34 10.732 26.481 -39.042 258 HB2 PHE 34 HB2 PHE 34 8.964 26.011 -37.458 259 HB3 PHE 34 HB1 PHE 34 7.798 26.894 -38.443 260 HD1 PHE 34 HD1 PHE 34 10.242 24.060 -38.665 261 HD2 PHE 34 HD2 PHE 34 6.538 25.742 -40.046 262 HE1 PHE 34 HE1 PHE 34 9.801 22.007 -39.985 263 HE2 PHE 34 HE2 PHE 34 6.098 23.689 -41.366 264 HZ PHE 34 HZ PHE 34 7.730 21.822 -41.335 265 H GLY 35 HN GLY 35 8.290 28.830 -40.101 266 HA2 GLY 35 HA2 GLY 35 7.808 27.742 -42.647 267 HA3 GLY 35 HA1 GLY 35 7.546 29.422 -42.205 268 H ALA 36 HN ALA 36 10.196 30.094 -41.515 269 HA ALA 36 HA ALA 36 11.241 30.876 -43.996 270 HB1 ALA 36 HB1 ALA 36 13.420 31.141 -42.520 271 HB2 ALA 36 HB2 ALA 36 12.296 30.821 -41.199 272 HB3 ALA 36 HB3 ALA 36 12.029 32.196 -42.271 273 H ILE 37 HN ILE 37 12.105 28.152 -41.892 274 HA ILE 37 HA ILE 37 14.259 27.243 -43.542 275 HB ILE 37 HB ILE 37 12.637 25.899 -41.373 276 HG12 ILE 37 HG12 ILE 37 15.542 26.761 -41.411 277 HG13 ILE 37 HG11 ILE 37 14.244 27.807 -40.834 278 HG21 ILE 37 HG21 ILE 37 14.538 24.201 -41.455 279 HG22 ILE 37 HG22 ILE 37 14.964 24.886 -43.023 280 HG23 ILE 37 HG23 ILE 37 13.391 24.122 -42.792 281 HD11 ILE 37 HD11 ILE 37 14.814 25.031 -39.755 282 HD12 ILE 37 HD12 ILE 37 13.625 26.177 -39.132 283 HD13 ILE 37 HD13 ILE 37 15.348 26.529 -38.991 284 H LEU 38 HN LEU 38 10.855 26.251 -43.189 285 HA LEU 38 HA LEU 38 10.864 24.103 -44.961 286 HB2 LEU 38 HB2 LEU 38 8.947 24.664 -43.527 287 HB3 LEU 38 HB1 LEU 38 8.654 26.118 -44.478 288 HG LEU 38 HG LEU 38 8.318 24.690 -46.498 289 HD11 LEU 38 HD11 LEU 38 9.606 22.742 -45.965 290 HD12 LEU 38 HD12 LEU 38 7.921 22.220 -46.007 291 HD13 LEU 38 HD13 LEU 38 8.722 22.490 -44.459 292 HD21 LEU 38 HD21 LEU 38 6.337 25.357 -45.314 293 HD22 LEU 38 HD22 LEU 38 6.613 24.157 -44.052 294 HD23 LEU 38 HD23 LEU 38 6.151 23.640 -45.674 295 H SER 39 HN SER 39 10.143 27.522 -45.623 296 HA SER 39 HA SER 39 9.707 27.315 -48.372 297 HB2 SER 39 HB2 SER 39 10.847 29.598 -46.751 298 HB3 SER 39 HB1 SER 39 10.376 29.734 -48.442 299 HG SER 39 HG SER 39 8.695 28.877 -46.315 300 H SER 40 HN SER 40 12.708 27.585 -46.547 301 HA SER 40 HA SER 40 14.298 27.725 -48.996 302 HB2 SER 40 HB2 SER 40 15.067 27.739 -46.072 303 HB3 SER 40 HB1 SER 40 16.221 27.829 -47.399 304 HG SER 40 HG SER 40 14.037 29.607 -47.025 305 H THR 41 HN THR 41 12.735 25.342 -48.586 306 HA THR 41 HA THR 41 14.585 23.280 -47.708 307 HB THR 41 HB THR 41 12.162 23.080 -47.246 308 HG1 THR 41 HG1 THR 41 12.993 21.119 -49.103 309 HG21 THR 41 HG21 THR 41 10.538 22.923 -48.910 310 HG22 THR 41 HG22 THR 41 11.701 22.463 -50.150 311 HG23 THR 41 HG23 THR 41 11.616 24.136 -49.598 312 H ASN 42 HN ASN 42 15.777 24.650 -49.739 313 HA ASN 42 HA ASN 42 15.326 23.167 -52.220 314 HB2 ASN 42 HB2 ASN 42 16.936 24.729 -53.199 315 HB3 ASN 42 HB1 ASN 42 15.675 25.605 -52.332 316 HD21 ASN 42 HD21 ASN 42 18.976 25.563 -52.765 317 HD22 ASN 42 HD22 ASN 42 19.455 26.254 -51.290 318 H VAL 43 HN VAL 43 16.508 21.990 -49.694 319 HA VAL 43 HA VAL 43 19.251 21.392 -50.482 320 HB VAL 43 HB VAL 43 18.410 21.764 -48.074 321 HG11 VAL 43 HG11 VAL 43 17.693 18.835 -48.306 322 HG12 VAL 43 HG12 VAL 43 16.483 20.111 -48.442 323 HG13 VAL 43 HG13 VAL 43 17.404 19.924 -46.950 324 HG21 VAL 43 HG21 VAL 43 19.932 19.189 -48.537 325 HG22 VAL 43 HG22 VAL 43 20.127 20.344 -47.220 326 HG23 VAL 43 HG23 VAL 43 20.645 20.772 -48.850 327 H GLY 44 HN GLY 44 16.677 20.441 -51.935 328 HA2 GLY 44 HA2 GLY 44 16.295 18.616 -53.307 329 HA3 GLY 44 HA1 GLY 44 17.702 17.832 -52.597 330 H SER 45 HN SER 45 15.313 19.059 -50.410 331 HA SER 45 HA SER 45 14.442 16.292 -49.863 332 HB2 SER 45 HB2 SER 45 13.923 17.111 -47.587 333 HB3 SER 45 HB1 SER 45 15.621 17.336 -47.995 334 HG SER 45 HG SER 45 13.622 19.187 -47.553 335 H ASN 46 HN ASN 46 13.308 18.047 -51.909 336 HA ASN 46 HA ASN 46 10.691 18.771 -50.801 337 HB2 ASN 46 HB2 ASN 46 10.297 19.856 -52.946 338 HB3 ASN 46 HB1 ASN 46 11.850 20.374 -52.293 339 HD21 ASN 46 HD21 ASN 46 10.604 19.747 -55.187 340 HD22 ASN 46 HD22 ASN 46 11.898 18.949 -55.943 341 H THR 47 HN THR 47 11.617 15.959 -51.158 342 HA THR 47 HA THR 47 10.275 14.814 -53.393 343 HB THR 47 HB THR 47 10.801 13.354 -50.815 344 HG1 THR 47 HG1 THR 47 12.883 13.458 -51.159 345 HG21 THR 47 HG21 THR 47 9.659 12.297 -52.833 346 HG22 THR 47 HG22 THR 47 11.108 11.473 -52.256 347 HG23 THR 47 HG23 THR 47 11.188 12.499 -53.689 348 H TYR 48 HN TYR 48 9.144 16.141 -50.477 349 HA TYR 48 HA TYR 48 6.717 14.518 -50.390 350 HB2 TYR 48 HB2 TYR 48 6.172 15.817 -48.395 351 HB3 TYR 48 HB1 TYR 48 7.824 15.207 -48.284 352 HD1 TYR 48 HD1 TYR 48 5.735 18.199 -48.860 353 HD2 TYR 48 HD2 TYR 48 9.735 16.698 -48.421 354 HE1 TYR 48 HE1 TYR 48 6.577 20.518 -48.612 355 HE2 TYR 48 HE2 TYR 48 10.578 19.017 -48.172 356 HH TYR 48 HH TYR 48 8.407 21.733 -47.832 357 H GLY 49 HN GLY 49 7.474 16.473 -52.621 358 HA2 GLY 49 HA2 GLY 49 5.958 18.772 -52.649 359 HA3 GLY 49 HA1 GLY 49 6.263 17.788 -54.078 360 H LYS 50 HN LYS 50 3.848 19.306 -53.137 361 HA LYS 50 HA LYS 50 1.814 17.525 -52.332 362 HB2 LYS 50 HB2 LYS 50 1.723 20.132 -53.859 363 HB3 LYS 50 HB1 LYS 50 0.277 19.270 -53.331 364 HG2 LYS 50 HG2 LYS 50 1.210 19.316 -50.984 365 HG3 LYS 50 HG1 LYS 50 2.485 20.380 -51.578 366 HD2 LYS 50 HD2 LYS 50 -0.464 20.980 -51.916 367 HD3 LYS 50 HD1 LYS 50 0.494 21.576 -50.560 368 HE2 LYS 50 HE2 LYS 50 1.072 22.100 -53.491 369 HE3 LYS 50 HE1 LYS 50 0.382 23.260 -52.357 370 HZ1 LYS 50 HZ1 LYS 50 2.482 22.702 -50.981 371 HZ2 LYS 50 HZ2 LYS 50 2.604 23.778 -52.290 372 HZ3 LYS 50 HZ3 LYS 50 3.110 22.166 -52.462 373 H ARG 51 HN ARG 51 3.037 18.444 -55.518 374 HA ARG 51 HA ARG 51 1.040 17.201 -57.071 375 HB2 ARG 51 HB2 ARG 51 2.542 17.430 -58.913 376 HB3 ARG 51 HB1 ARG 51 2.802 18.832 -57.875 377 HG2 ARG 51 HG2 ARG 51 4.704 17.570 -56.791 378 HG3 ARG 51 HG1 ARG 51 4.509 16.335 -58.035 379 HD2 ARG 51 HD2 ARG 51 4.855 18.075 -59.777 380 HD3 ARG 51 HD1 ARG 51 5.131 19.263 -58.508 381 HE ARG 51 HE ARG 51 6.978 17.220 -59.397 382 HH11 ARG 51 HH11 ARG 51 6.035 19.334 -56.787 383 HH12 ARG 51 HH12 ARG 51 7.606 19.339 -56.066 384 HH21 ARG 51 HH21 ARG 51 9.021 17.248 -58.434 385 HH22 ARG 51 HH22 ARG 51 9.287 18.166 -56.990 386 H ASN 52 HN ASN 52 3.452 15.827 -55.081 387 HA ASN 52 HA ASN 52 3.781 13.387 -56.592 388 HB2 ASN 52 HB2 ASN 52 5.320 14.564 -54.732 389 HB3 ASN 52 HB1 ASN 52 4.414 13.468 -53.690 390 HD21 ASN 52 HD21 ASN 52 4.089 11.377 -55.760 391 HD22 ASN 52 HD22 ASN 52 5.619 10.674 -55.970 392 H ALA 53 HN ALA 53 1.739 14.551 -53.983 393 HA ALA 53 HA ALA 53 0.767 12.106 -53.014 394 HB1 ALA 53 HB1 ALA 53 -1.351 13.593 -52.573 395 HB2 ALA 53 HB2 ALA 53 -0.297 14.903 -53.104 396 HB3 ALA 53 HB3 ALA 53 0.151 13.921 -51.710 397 H VAL 54 HN VAL 54 -0.403 14.154 -55.676 398 HA VAL 54 HA VAL 54 -2.619 12.463 -56.319 399 HB VAL 54 HB VAL 54 -2.088 14.983 -56.958 400 HG11 VAL 54 HG11 VAL 54 -1.252 13.533 -59.477 401 HG12 VAL 54 HG12 VAL 54 -0.082 14.182 -58.328 402 HG13 VAL 54 HG13 VAL 54 -1.201 15.266 -59.154 403 HG21 VAL 54 HG21 VAL 54 -3.780 14.793 -58.722 404 HG22 VAL 54 HG22 VAL 54 -4.197 13.726 -57.381 405 HG23 VAL 54 HG23 VAL 54 -3.481 13.060 -58.849 406 H GLU 55 HN GLU 55 0.758 12.516 -57.228 407 HA GLU 55 HA GLU 55 0.560 10.884 -59.541 408 HB2 GLU 55 HB2 GLU 55 2.792 11.529 -57.628 409 HB3 GLU 55 HB1 GLU 55 3.016 10.368 -58.937 410 HG2 GLU 55 HG2 GLU 55 1.833 13.073 -59.510 411 HG3 GLU 55 HG1 GLU 55 3.581 12.884 -59.371 412 H VAL 56 HN VAL 56 1.216 10.102 -56.124 413 HA VAL 56 HA VAL 56 1.344 7.272 -56.651 414 HB VAL 56 HB VAL 56 2.576 8.351 -54.777 415 HG11 VAL 56 HG11 VAL 56 -0.190 8.623 -53.559 416 HG12 VAL 56 HG12 VAL 56 0.789 9.964 -54.154 417 HG13 VAL 56 HG13 VAL 56 1.338 9.018 -52.771 418 HG21 VAL 56 HG21 VAL 56 1.895 6.640 -53.055 419 HG22 VAL 56 HG22 VAL 56 2.167 5.966 -54.662 420 HG23 VAL 56 HG23 VAL 56 0.522 6.230 -54.083 421 H LEU 57 HN LEU 57 -1.121 9.544 -55.574 422 HA LEU 57 HA LEU 57 -3.042 7.805 -54.565 423 HB2 LEU 57 HB2 LEU 57 -2.968 10.518 -55.556 424 HB3 LEU 57 HB1 LEU 57 -4.449 9.713 -56.072 425 HG LEU 57 HG LEU 57 -4.663 8.909 -53.642 426 HD11 LEU 57 HD11 LEU 57 -2.245 9.560 -53.140 427 HD12 LEU 57 HD12 LEU 57 -3.442 10.088 -51.958 428 HD13 LEU 57 HD13 LEU 57 -2.798 11.235 -53.132 429 HD21 LEU 57 HD21 LEU 57 -5.953 10.801 -54.765 430 HD22 LEU 57 HD22 LEU 57 -4.794 11.909 -54.032 431 HD23 LEU 57 HD23 LEU 57 -5.826 10.910 -53.009 432 H LYS 58 HN LYS 58 -2.628 8.846 -57.963 433 HA LYS 58 HA LYS 58 -4.709 7.166 -58.931 434 HB2 LYS 58 HB2 LYS 58 -2.395 8.544 -60.301 435 HB3 LYS 58 HB1 LYS 58 -3.598 7.597 -61.176 436 HG2 LYS 58 HG2 LYS 58 -4.427 9.796 -59.284 437 HG3 LYS 58 HG1 LYS 58 -4.002 10.146 -60.960 438 HD2 LYS 58 HD2 LYS 58 -5.693 8.480 -61.708 439 HD3 LYS 58 HD1 LYS 58 -6.157 8.228 -60.025 440 HE2 LYS 58 HE2 LYS 58 -6.287 10.874 -61.502 441 HE3 LYS 58 HE1 LYS 58 -7.668 9.839 -61.140 442 HZ1 LYS 58 HZ1 LYS 58 -6.660 10.058 -58.722 443 HZ2 LYS 58 HZ2 LYS 58 -7.753 11.197 -59.349 444 HZ3 LYS 58 HZ3 LYS 58 -6.086 11.523 -59.356 445 H ARG 59 HN ARG 59 -1.212 6.791 -58.607 446 HA ARG 59 HA ARG 59 -1.001 4.330 -60.006 447 HB2 ARG 59 HB2 ARG 59 0.865 5.973 -59.279 448 HB3 ARG 59 HB1 ARG 59 0.812 5.117 -57.737 449 HG2 ARG 59 HG2 ARG 59 0.844 3.312 -60.048 450 HG3 ARG 59 HG1 ARG 59 2.280 4.332 -59.947 451 HD2 ARG 59 HD2 ARG 59 2.583 3.642 -57.585 452 HD3 ARG 59 HD1 ARG 59 1.180 2.587 -57.725 453 HE ARG 59 HE ARG 59 2.808 1.780 -59.768 454 HH11 ARG 59 HH11 ARG 59 3.228 2.241 -56.337 455 HH12 ARG 59 HH12 ARG 59 4.425 1.000 -56.197 456 HH21 ARG 59 HH21 ARG 59 4.371 0.164 -59.556 457 HH22 ARG 59 HH22 ARG 59 5.070 -0.170 -58.006 458 H GLU 60 HN GLU 60 -2.126 5.155 -56.846 459 HA GLU 60 HA GLU 60 -2.050 2.322 -56.014 460 HB2 GLU 60 HB2 GLU 60 -2.393 4.855 -54.397 461 HB3 GLU 60 HB1 GLU 60 -2.481 3.223 -53.733 462 HG2 GLU 60 HG2 GLU 60 -0.089 4.373 -55.200 463 HG3 GLU 60 HG1 GLU 60 -0.224 4.223 -53.449 464 HA PRO 61 HA PRO 61 -6.478 3.146 -57.127 465 HB2 PRO 61 HB2 PRO 61 -6.974 0.563 -57.945 466 HB3 PRO 61 HB1 PRO 61 -6.380 1.850 -59.011 467 HG2 PRO 61 HG2 PRO 61 -4.891 -0.360 -57.698 468 HG3 PRO 61 HG1 PRO 61 -4.674 0.355 -59.305 469 HD2 PRO 61 HD2 PRO 61 -3.040 0.935 -57.193 470 HD3 PRO 61 HD1 PRO 61 -3.366 2.087 -58.507 471 H LEU 62 HN LEU 62 -4.851 1.292 -54.821 472 HA LEU 62 HA LEU 62 -6.939 -0.254 -53.707 473 HB2 LEU 62 HB2 LEU 62 -4.572 -0.597 -53.122 474 HB3 LEU 62 HB1 LEU 62 -4.525 0.991 -52.358 475 HG LEU 62 HG LEU 62 -6.316 0.252 -50.788 476 HD11 LEU 62 HD11 LEU 62 -7.432 -1.450 -52.050 477 HD12 LEU 62 HD12 LEU 62 -6.673 -2.273 -50.688 478 HD13 LEU 62 HD13 LEU 62 -5.933 -2.349 -52.288 479 HD21 LEU 62 HD21 LEU 62 -4.861 -1.396 -49.537 480 HD22 LEU 62 HD22 LEU 62 -4.027 0.077 -50.033 481 HD23 LEU 62 HD23 LEU 62 -3.789 -1.418 -50.938 482 H ASN 63 HN ASN 63 -5.825 3.056 -53.117 483 HA ASN 63 HA ASN 63 -7.895 3.534 -51.136 484 HB2 ASN 63 HB2 ASN 63 -6.957 5.895 -51.245 485 HB3 ASN 63 HB1 ASN 63 -5.834 4.644 -50.715 486 HD21 ASN 63 HD21 ASN 63 -6.631 6.823 -53.391 487 HD22 ASN 63 HD22 ASN 63 -5.188 6.575 -54.249 488 H TYR 64 HN TYR 64 -7.771 3.511 -54.504 489 HA TYR 64 HA TYR 64 -9.456 5.770 -55.049 490 HB2 TYR 64 HB2 TYR 64 -7.918 4.785 -56.731 491 HB3 TYR 64 HB1 TYR 64 -8.911 3.326 -56.749 492 HD1 TYR 64 HD1 TYR 64 -8.891 6.967 -57.480 493 HD2 TYR 64 HD2 TYR 64 -11.015 3.257 -57.897 494 HE1 TYR 64 HE1 TYR 64 -10.431 8.031 -59.107 495 HE2 TYR 64 HE2 TYR 64 -12.556 4.321 -59.523 496 HH TYR 64 HH TYR 64 -13.348 6.718 -60.005 497 H LEU 65 HN LEU 65 -9.939 2.417 -54.213 498 HA LEU 65 HA LEU 65 -12.753 2.451 -54.935 499 HB2 LEU 65 HB2 LEU 65 -11.058 0.383 -53.513 500 HB3 LEU 65 HB1 LEU 65 -12.744 0.151 -53.974 501 HG LEU 65 HG LEU 65 -10.555 0.866 -55.943 502 HD11 LEU 65 HD11 LEU 65 -10.444 -1.450 -56.547 503 HD12 LEU 65 HD12 LEU 65 -11.824 -1.851 -55.524 504 HD13 LEU 65 HD13 LEU 65 -10.287 -1.393 -54.791 505 HD21 LEU 65 HD21 LEU 65 -12.329 -0.072 -57.536 506 HD22 LEU 65 HD22 LEU 65 -12.707 1.481 -56.794 507 HD23 LEU 65 HD23 LEU 65 -13.451 0.006 -56.177 508 HA PRO 66 HA PRO 66 -14.544 3.821 -51.156 509 HB2 PRO 66 HB2 PRO 66 -16.011 1.231 -50.955 510 HB3 PRO 66 HB1 PRO 66 -16.641 2.890 -50.948 511 HG2 PRO 66 HG2 PRO 66 -16.890 1.320 -53.081 512 HG3 PRO 66 HG1 PRO 66 -16.598 3.061 -53.236 513 HD2 PRO 66 HD2 PRO 66 -14.706 0.790 -53.672 514 HD3 PRO 66 HD1 PRO 66 -14.780 2.372 -54.479 515 H LEU 67 HN LEU 67 -14.023 3.774 -49.008 516 HA LEU 67 HA LEU 67 -13.387 1.374 -47.583 517 HB2 LEU 67 HB2 LEU 67 -11.274 2.543 -49.074 518 HB3 LEU 67 HB1 LEU 67 -10.968 2.894 -47.373 519 HG LEU 67 HG LEU 67 -11.691 0.135 -48.390 520 HD11 LEU 67 HD11 LEU 67 -8.933 1.153 -47.662 521 HD12 LEU 67 HD12 LEU 67 -9.512 1.046 -49.324 522 HD13 LEU 67 HD13 LEU 67 -9.351 -0.416 -48.350 523 HD21 LEU 67 HD21 LEU 67 -12.100 0.701 -45.973 524 HD22 LEU 67 HD22 LEU 67 -10.379 1.051 -45.813 525 HD23 LEU 67 HD23 LEU 67 -10.914 -0.583 -46.203 Start of MODEL 10 1 H1 THR 1 HT1 THR 1 -2.972 -1.820 -0.817 2 H2 THR 1 HT2 THR 1 -3.904 -2.347 0.503 3 H3 THR 1 HT3 THR 1 -3.808 -3.294 -0.905 4 HA THR 1 HA THR 1 -2.437 -4.181 0.892 5 HB THR 1 HB THR 1 -1.706 -3.605 -1.817 6 HG1 THR 1 HG1 THR 1 -0.603 -5.564 -0.109 7 HG21 THR 1 HG21 THR 1 0.753 -3.747 -1.639 8 HG22 THR 1 HG22 THR 1 0.637 -3.610 0.112 9 HG23 THR 1 HG23 THR 1 0.146 -2.261 -0.915 10 HA PRO 2 HA PRO 2 -0.338 -1.183 3.389 11 HB2 PRO 2 HB2 PRO 2 1.680 -2.665 4.475 12 HB3 PRO 2 HB1 PRO 2 -0.019 -2.845 4.953 13 HG2 PRO 2 HG2 PRO 2 1.623 -4.524 3.126 14 HG3 PRO 2 HG1 PRO 2 0.402 -5.007 4.316 15 HD2 PRO 2 HD2 PRO 2 -0.095 -4.864 1.618 16 HD3 PRO 2 HD1 PRO 2 -1.351 -4.658 2.857 17 H ILE 3 HN ILE 3 1.564 0.124 3.550 18 HA ILE 3 HA ILE 3 2.877 0.737 1.198 19 HB ILE 3 HB ILE 3 2.800 2.151 3.272 20 HG12 ILE 3 HG12 ILE 3 5.202 2.965 3.000 21 HG13 ILE 3 HG11 ILE 3 5.446 1.607 1.901 22 HG21 ILE 3 HG21 ILE 3 3.519 0.224 4.769 23 HG22 ILE 3 HG22 ILE 3 4.358 1.749 5.052 24 HG23 ILE 3 HG23 ILE 3 5.153 0.460 4.149 25 HD11 ILE 3 HD11 ILE 3 3.200 3.598 1.535 26 HD12 ILE 3 HD12 ILE 3 3.811 2.426 0.367 27 HD13 ILE 3 HD13 ILE 3 4.791 3.824 0.809 28 H GLU 4 HN GLU 4 4.766 0.137 0.218 29 HA GLU 4 HA GLU 4 5.705 -2.477 0.494 30 HB2 GLU 4 HB2 GLU 4 7.562 -1.787 -0.948 31 HB3 GLU 4 HB1 GLU 4 6.045 -1.097 -1.526 32 HG2 GLU 4 HG2 GLU 4 6.574 1.018 -0.346 33 HG3 GLU 4 HG1 GLU 4 8.111 0.328 0.175 34 H SER 5 HN SER 5 7.956 -3.132 1.054 35 HA SER 5 HA SER 5 8.552 -2.393 3.744 36 HB2 SER 5 HB2 SER 5 10.353 -3.987 3.589 37 HB3 SER 5 HB1 SER 5 8.961 -4.658 2.745 38 HG SER 5 HG SER 5 9.933 -3.716 0.806 39 H HIS 6 HN HIS 6 10.673 -1.626 4.484 40 HA HIS 6 HA HIS 6 11.380 0.833 3.281 41 HB2 HIS 6 HB2 HIS 6 13.123 0.951 4.957 42 HB3 HIS 6 HB1 HIS 6 11.669 0.284 5.700 43 HD1 HIS 6 HD1 HIS 6 15.077 -0.737 4.434 44 HD2 HIS 6 HD2 HIS 6 11.902 -2.388 6.572 45 HE1 HIS 6 HE1 HIS 6 15.901 -2.952 5.343 46 HE2 HIS 6 HE2 HIS 6 13.977 -3.971 6.649 47 H GLN 7 HN GLN 7 12.457 -2.409 2.736 48 HA GLN 7 HA GLN 7 15.045 -2.013 1.775 49 HB2 GLN 7 HB2 GLN 7 14.033 -4.237 2.130 50 HB3 GLN 7 HB1 GLN 7 12.975 -3.967 0.745 51 HG2 GLN 7 HG2 GLN 7 14.906 -3.783 -0.740 52 HG3 GLN 7 HG1 GLN 7 16.004 -3.942 0.630 53 HE21 GLN 7 HE21 GLN 7 16.935 -5.945 -0.197 54 HE22 GLN 7 HE22 GLN 7 16.052 -7.394 -0.196 55 H VAL 8 HN VAL 8 15.886 -1.150 -0.027 56 HA VAL 8 HA VAL 8 14.402 0.536 -1.702 57 HB VAL 8 HB VAL 8 16.846 0.712 -1.376 58 HG11 VAL 8 HG11 VAL 8 17.333 -1.716 -1.416 59 HG12 VAL 8 HG12 VAL 8 18.331 -0.841 -2.578 60 HG13 VAL 8 HG13 VAL 8 16.932 -1.761 -3.133 61 HG21 VAL 8 HG21 VAL 8 15.627 1.623 -3.423 62 HG22 VAL 8 HG22 VAL 8 16.204 0.201 -4.292 63 HG23 VAL 8 HG23 VAL 8 17.358 1.359 -3.630 64 H GLU 9 HN GLU 9 13.777 0.347 -3.886 65 HA GLU 9 HA GLU 9 13.810 -2.309 -5.108 66 HB2 GLU 9 HB2 GLU 9 11.251 -1.812 -5.615 67 HB3 GLU 9 HB1 GLU 9 11.746 -2.655 -4.148 68 HG2 GLU 9 HG2 GLU 9 10.115 -0.792 -3.732 69 HG3 GLU 9 HG1 GLU 9 11.634 -0.605 -2.860 70 H LYS 10 HN LYS 10 12.930 -2.231 -7.360 71 HA LYS 10 HA LYS 10 13.077 0.445 -8.577 72 HB2 LYS 10 HB2 LYS 10 14.580 -0.389 -10.331 73 HB3 LYS 10 HB1 LYS 10 15.332 -0.534 -8.742 74 HG2 LYS 10 HG2 LYS 10 14.006 -2.936 -8.966 75 HG3 LYS 10 HG1 LYS 10 14.519 -2.641 -10.628 76 HD2 LYS 10 HD2 LYS 10 16.812 -2.482 -10.001 77 HD3 LYS 10 HD1 LYS 10 16.411 -2.358 -8.288 78 HE2 LYS 10 HE2 LYS 10 15.229 -4.727 -8.876 79 HE3 LYS 10 HE1 LYS 10 16.568 -4.758 -10.023 80 HZ1 LYS 10 HZ1 LYS 10 16.631 -4.709 -7.091 81 HZ2 LYS 10 HZ2 LYS 10 17.909 -3.983 -7.943 82 HZ3 LYS 10 HZ3 LYS 10 17.557 -5.629 -8.175 83 H ARG 11 HN ARG 11 11.944 0.661 -10.516 84 HA ARG 11 HA ARG 11 10.544 -1.674 -11.572 85 HB2 ARG 11 HB2 ARG 11 8.421 -0.067 -11.600 86 HB3 ARG 11 HB1 ARG 11 8.757 -1.135 -10.246 87 HG2 ARG 11 HG2 ARG 11 8.257 0.973 -9.273 88 HG3 ARG 11 HG1 ARG 11 10.006 0.858 -9.182 89 HD2 ARG 11 HD2 ARG 11 8.715 2.138 -11.575 90 HD3 ARG 11 HD1 ARG 11 8.885 3.053 -10.084 91 HE ARG 11 HE ARG 11 11.011 2.290 -11.889 92 HH11 ARG 11 HH11 ARG 11 10.166 3.191 -8.627 93 HH12 ARG 11 HH12 ARG 11 11.752 3.769 -8.251 94 HH21 ARG 11 HH21 ARG 11 13.073 3.049 -11.368 95 HH22 ARG 11 HH22 ARG 11 13.388 3.690 -9.790 96 H LYS 12 HN LYS 12 12.387 -0.864 -13.071 97 HA LYS 12 HA LYS 12 12.086 1.472 -14.605 98 HB2 LYS 12 HB2 LYS 12 13.544 0.353 -16.244 99 HB3 LYS 12 HB1 LYS 12 14.146 0.136 -14.601 100 HG2 LYS 12 HG2 LYS 12 12.993 -2.086 -14.525 101 HG3 LYS 12 HG1 LYS 12 12.558 -1.874 -16.221 102 HD2 LYS 12 HD2 LYS 12 14.901 -1.779 -16.865 103 HD3 LYS 12 HD1 LYS 12 15.403 -1.824 -15.174 104 HE2 LYS 12 HE2 LYS 12 15.626 -4.057 -16.118 105 HE3 LYS 12 HE1 LYS 12 14.300 -4.058 -14.955 106 HZ1 LYS 12 HZ1 LYS 12 13.927 -5.126 -17.239 107 HZ2 LYS 12 HZ2 LYS 12 13.794 -3.531 -17.811 108 HZ3 LYS 12 HZ3 LYS 12 12.722 -4.103 -16.624 109 H CYS 13 HN CYS 13 11.149 1.861 -16.611 110 HA CYS 13 HA CYS 13 8.691 0.473 -17.116 111 HB2 CYS 13 HB2 CYS 13 10.019 2.904 -18.044 112 HB3 CYS 13 HB1 CYS 13 9.162 2.061 -19.333 113 H ASN 14 HN ASN 14 9.372 -1.685 -17.568 114 HA ASN 14 HA ASN 14 10.829 -2.033 -20.108 115 HB2 ASN 14 HB2 ASN 14 11.105 -4.394 -19.373 116 HB3 ASN 14 HB1 ASN 14 11.822 -3.237 -18.254 117 HD21 ASN 14 HD21 ASN 14 10.821 -2.975 -16.151 118 HD22 ASN 14 HD22 ASN 14 9.617 -4.035 -15.596 119 H THR 15 HN THR 15 7.973 -3.279 -18.352 120 HA THR 15 HA THR 15 6.858 -4.927 -20.214 121 HB THR 15 HB THR 15 5.852 -4.572 -18.026 122 HG1 THR 15 HG1 THR 15 4.171 -5.271 -19.042 123 HG21 THR 15 HG21 THR 15 4.400 -2.478 -17.764 124 HG22 THR 15 HG22 THR 15 5.295 -1.815 -19.131 125 HG23 THR 15 HG23 THR 15 6.143 -2.241 -17.645 126 H ALA 16 HN ALA 16 5.249 -4.694 -21.833 127 HA ALA 16 HA ALA 16 5.786 -2.595 -23.687 128 HB1 ALA 16 HB1 ALA 16 3.874 -4.904 -23.588 129 HB2 ALA 16 HB2 ALA 16 5.201 -4.602 -24.710 130 HB3 ALA 16 HB3 ALA 16 3.709 -3.671 -24.839 131 H THR 17 HN THR 17 3.580 -2.894 -21.059 132 HA THR 17 HA THR 17 1.458 -1.281 -21.994 133 HB THR 17 HB THR 17 2.471 -1.695 -19.171 134 HG1 THR 17 HG1 THR 17 0.355 -2.918 -20.605 135 HG21 THR 17 HG21 THR 17 0.059 -1.088 -18.632 136 HG22 THR 17 HG22 THR 17 -0.072 -0.502 -20.290 137 HG23 THR 17 HG23 THR 17 1.074 0.246 -19.178 138 H CYS 18 HN CYS 18 4.468 -0.489 -20.292 139 HA CYS 18 HA CYS 18 3.952 2.252 -19.888 140 HB2 CYS 18 HB2 CYS 18 5.804 0.893 -18.837 141 HB3 CYS 18 HB1 CYS 18 6.663 1.006 -20.373 142 H ALA 19 HN ALA 19 5.563 0.538 -22.552 143 HA ALA 19 HA ALA 19 6.165 2.899 -24.040 144 HB1 ALA 19 HB1 ALA 19 7.131 0.447 -24.201 145 HB2 ALA 19 HB2 ALA 19 7.059 1.479 -25.630 146 HB3 ALA 19 HB3 ALA 19 5.827 0.243 -25.371 147 H THR 20 HN THR 20 3.445 0.668 -23.955 148 HA THR 20 HA THR 20 2.182 1.456 -26.342 149 HB THR 20 HB THR 20 0.985 0.397 -23.774 150 HG1 THR 20 HG1 THR 20 1.103 -1.557 -24.895 151 HG21 THR 20 HG21 THR 20 -0.153 0.743 -26.557 152 HG22 THR 20 HG22 THR 20 -0.771 1.427 -25.053 153 HG23 THR 20 HG23 THR 20 -0.874 -0.311 -25.340 154 H GLN 21 HN GLN 21 1.821 2.699 -23.017 155 HA GLN 21 HA GLN 21 -0.214 4.571 -23.738 156 HB2 GLN 21 HB2 GLN 21 -0.274 5.147 -21.516 157 HB3 GLN 21 HB1 GLN 21 0.470 3.554 -21.393 158 HG2 GLN 21 HG2 GLN 21 2.724 4.748 -21.538 159 HG3 GLN 21 HG1 GLN 21 1.835 6.249 -21.293 160 HE21 GLN 21 HE21 GLN 21 2.647 6.674 -19.154 161 HE22 GLN 21 HE22 GLN 21 2.275 5.680 -17.829 162 H ARG 22 HN ARG 22 3.306 4.735 -23.574 163 HA ARG 22 HA ARG 22 3.304 7.621 -23.924 164 HB2 ARG 22 HB2 ARG 22 5.593 7.556 -23.586 165 HB3 ARG 22 HB1 ARG 22 5.063 6.158 -22.657 166 HG2 ARG 22 HG2 ARG 22 6.729 5.136 -23.853 167 HG3 ARG 22 HG1 ARG 22 5.444 4.960 -25.040 168 HD2 ARG 22 HD2 ARG 22 6.798 6.068 -26.469 169 HD3 ARG 22 HD1 ARG 22 6.419 7.511 -25.533 170 HE ARG 22 HE ARG 22 8.550 7.418 -24.613 171 HH11 ARG 22 HH11 ARG 22 7.782 4.408 -26.198 172 HH12 ARG 22 HH12 ARG 22 9.387 3.783 -26.048 173 HH21 ARG 22 HH21 ARG 22 10.638 6.576 -24.431 174 HH22 ARG 22 HH22 ARG 22 10.996 5.000 -25.054 175 H LEU 23 HN LEU 23 3.369 4.801 -25.918 176 HA LEU 23 HA LEU 23 4.418 6.186 -28.243 177 HB2 LEU 23 HB2 LEU 23 4.882 3.785 -27.894 178 HB3 LEU 23 HB1 LEU 23 3.156 3.443 -27.999 179 HG LEU 23 HG LEU 23 3.147 4.429 -30.300 180 HD11 LEU 23 HD11 LEU 23 5.027 5.907 -30.235 181 HD12 LEU 23 HD12 LEU 23 5.461 4.625 -31.366 182 HD13 LEU 23 HD13 LEU 23 6.113 4.613 -29.728 183 HD21 LEU 23 HD21 LEU 23 4.099 2.497 -31.359 184 HD22 LEU 23 HD22 LEU 23 3.497 1.958 -29.791 185 HD23 LEU 23 HD23 LEU 23 5.222 2.241 -30.024 186 H ALA 24 HN ALA 24 1.291 4.969 -27.102 187 HA ALA 24 HA ALA 24 -0.217 5.540 -29.398 188 HB1 ALA 24 HB1 ALA 24 -0.866 5.230 -26.489 189 HB2 ALA 24 HB2 ALA 24 -1.344 4.222 -27.854 190 HB3 ALA 24 HB3 ALA 24 -2.111 5.790 -27.605 191 H ASN 25 HN ASN 25 0.492 7.551 -26.546 192 HA ASN 25 HA ASN 25 -1.094 9.763 -27.290 193 HB2 ASN 25 HB2 ASN 25 1.343 9.497 -25.534 194 HB3 ASN 25 HB1 ASN 25 0.485 11.022 -25.748 195 HD21 ASN 25 HD21 ASN 25 -2.182 10.268 -25.730 196 HD22 ASN 25 HD22 ASN 25 -2.571 9.514 -24.260 197 H PHE 26 HN PHE 26 2.258 8.901 -28.005 198 HA PHE 26 HA PHE 26 2.938 11.375 -29.248 199 HB2 PHE 26 HB2 PHE 26 4.594 9.747 -28.334 200 HB3 PHE 26 HB1 PHE 26 4.209 8.663 -29.670 201 HD1 PHE 26 HD1 PHE 26 5.460 12.082 -28.863 202 HD2 PHE 26 HD2 PHE 26 5.163 8.979 -31.819 203 HE1 PHE 26 HE1 PHE 26 7.036 13.321 -30.323 204 HE2 PHE 26 HE2 PHE 26 6.739 10.218 -33.278 205 HZ PHE 26 HZ PHE 26 7.675 12.389 -32.531 206 H LEU 27 HN LEU 27 1.701 8.283 -30.451 207 HA LEU 27 HA LEU 27 1.998 8.873 -33.198 208 HB2 LEU 27 HB2 LEU 27 1.697 6.586 -32.338 209 HB3 LEU 27 HB1 LEU 27 0.079 6.990 -31.789 210 HG LEU 27 HG LEU 27 0.386 5.711 -34.041 211 HD11 LEU 27 HD11 LEU 27 -1.387 8.130 -34.285 212 HD12 LEU 27 HD12 LEU 27 -1.709 6.912 -33.052 213 HD13 LEU 27 HD13 LEU 27 -1.702 6.462 -34.755 214 HD21 LEU 27 HD21 LEU 27 0.617 8.486 -35.194 215 HD22 LEU 27 HD22 LEU 27 0.878 6.933 -35.982 216 HD23 LEU 27 HD23 LEU 27 2.060 7.544 -34.826 217 H VAL 28 HN VAL 28 -0.868 9.084 -31.056 218 HA VAL 28 HA VAL 28 -2.650 10.068 -32.972 219 HB VAL 28 HB VAL 28 -3.982 10.878 -31.082 220 HG11 VAL 28 HG11 VAL 28 -4.179 8.540 -31.516 221 HG12 VAL 28 HG12 VAL 28 -3.977 8.685 -29.770 222 HG13 VAL 28 HG13 VAL 28 -2.615 8.198 -30.779 223 HG21 VAL 28 HG21 VAL 28 -1.563 10.151 -29.403 224 HG22 VAL 28 HG22 VAL 28 -3.108 10.747 -28.801 225 HG23 VAL 28 HG23 VAL 28 -2.073 11.799 -29.766 226 H HIS 29 HN HIS 29 -0.023 11.637 -31.359 227 HA HIS 29 HA HIS 29 -1.044 14.296 -32.052 228 HB2 HIS 29 HB2 HIS 29 -0.117 14.085 -29.823 229 HB3 HIS 29 HB1 HIS 29 1.387 13.432 -30.472 230 HD1 HIS 29 HD1 HIS 29 -0.706 16.611 -30.729 231 HD2 HIS 29 HD2 HIS 29 3.262 15.378 -31.072 232 HE1 HIS 29 HE1 HIS 29 0.670 18.711 -31.064 233 HE2 HIS 29 HE2 HIS 29 3.092 17.976 -31.275 234 H SER 30 HN SER 30 1.271 11.922 -33.071 235 HA SER 30 HA SER 30 2.667 13.828 -34.810 236 HB2 SER 30 HB2 SER 30 3.153 10.905 -34.213 237 HB3 SER 30 HB1 SER 30 4.124 11.872 -35.320 238 HG SER 30 HG SER 30 5.146 12.553 -33.627 239 H SER 31 HN SER 31 -0.205 12.722 -35.160 240 HA SER 31 HA SER 31 -0.258 11.035 -37.407 241 HB2 SER 31 HB2 SER 31 -2.261 11.501 -36.081 242 HB3 SER 31 HB1 SER 31 -2.221 13.189 -36.581 243 HG SER 31 HG SER 31 -2.459 12.443 -38.745 244 H ASN 32 HN ASN 32 -0.349 14.563 -37.146 245 HA ASN 32 HA ASN 32 -0.543 15.280 -39.813 246 HB2 ASN 32 HB2 ASN 32 0.858 17.309 -39.111 247 HB3 ASN 32 HB1 ASN 32 -0.641 17.027 -38.228 248 HD21 ASN 32 HD21 ASN 32 2.671 17.609 -37.809 249 HD22 ASN 32 HD22 ASN 32 2.811 17.080 -36.202 250 H ASN 33 HN ASN 33 2.454 14.768 -37.951 251 HA ASN 33 HA ASN 33 4.233 15.099 -40.112 252 HB2 ASN 33 HB2 ASN 33 4.486 13.607 -37.499 253 HB3 ASN 33 HB1 ASN 33 5.818 13.785 -38.640 254 HD21 ASN 33 HD21 ASN 33 6.013 16.280 -39.404 255 HD22 ASN 33 HD22 ASN 33 5.966 17.399 -38.129 256 H PHE 34 HN PHE 34 2.612 12.198 -38.841 257 HA PHE 34 HA PHE 34 3.966 10.248 -40.251 258 HB2 PHE 34 HB2 PHE 34 2.228 9.736 -38.598 259 HB3 PHE 34 HB1 PHE 34 0.994 10.373 -39.684 260 HD1 PHE 34 HD1 PHE 34 3.663 7.775 -39.416 261 HD2 PHE 34 HD2 PHE 34 0.048 9.020 -41.375 262 HE1 PHE 34 HE1 PHE 34 3.519 5.574 -40.550 263 HE2 PHE 34 HE2 PHE 34 -0.095 6.819 -42.509 264 HZ PHE 34 HZ PHE 34 1.640 5.096 -42.097 265 H GLY 35 HN GLY 35 1.351 12.366 -41.364 266 HA2 GLY 35 HA2 GLY 35 0.894 11.174 -43.865 267 HA3 GLY 35 HA1 GLY 35 0.597 12.867 -43.486 268 H ALA 36 HN ALA 36 3.220 13.613 -42.818 269 HA ALA 36 HA ALA 36 4.268 14.344 -45.317 270 HB1 ALA 36 HB1 ALA 36 6.162 15.201 -44.114 271 HB2 ALA 36 HB2 ALA 36 5.841 14.140 -42.742 272 HB3 ALA 36 HB3 ALA 36 4.737 15.466 -43.108 273 H ILE 37 HN ILE 37 5.199 11.722 -43.107 274 HA ILE 37 HA ILE 37 7.368 10.795 -44.725 275 HB ILE 37 HB ILE 37 5.776 9.502 -42.503 276 HG12 ILE 37 HG12 ILE 37 8.663 10.420 -42.586 277 HG13 ILE 37 HG11 ILE 37 7.345 11.456 -42.036 278 HG21 ILE 37 HG21 ILE 37 7.688 7.828 -42.523 279 HG22 ILE 37 HG22 ILE 37 8.130 8.471 -44.105 280 HG23 ILE 37 HG23 ILE 37 6.563 7.695 -43.875 281 HD11 ILE 37 HD11 ILE 37 8.435 10.310 -40.134 282 HD12 ILE 37 HD12 ILE 37 8.053 8.750 -40.863 283 HD13 ILE 37 HD13 ILE 37 6.754 9.805 -40.308 284 H LEU 38 HN LEU 38 3.969 9.811 -44.374 285 HA LEU 38 HA LEU 38 4.019 7.569 -46.036 286 HB2 LEU 38 HB2 LEU 38 2.085 8.163 -44.645 287 HB3 LEU 38 HB1 LEU 38 1.789 9.582 -45.647 288 HG LEU 38 HG LEU 38 1.470 8.089 -47.618 289 HD11 LEU 38 HD11 LEU 38 2.784 6.175 -47.020 290 HD12 LEU 38 HD12 LEU 38 1.107 5.630 -47.059 291 HD13 LEU 38 HD13 LEU 38 1.893 5.954 -45.514 292 HD21 LEU 38 HD21 LEU 38 -0.415 8.819 -46.071 293 HD22 LEU 38 HD22 LEU 38 -0.290 7.235 -45.307 294 HD23 LEU 38 HD23 LEU 38 -0.734 7.360 -47.009 295 H SER 39 HN SER 39 3.402 10.972 -46.821 296 HA SER 39 HA SER 39 2.807 10.825 -49.497 297 HB2 SER 39 HB2 SER 39 4.548 12.876 -48.115 298 HB3 SER 39 HB1 SER 39 3.827 13.076 -49.710 299 HG SER 39 HG SER 39 2.731 13.666 -47.444 300 H SER 40 HN SER 40 5.930 10.410 -47.953 301 HA SER 40 HA SER 40 7.299 10.292 -50.540 302 HB2 SER 40 HB2 SER 40 8.330 10.110 -47.703 303 HB3 SER 40 HB1 SER 40 9.344 10.021 -49.140 304 HG SER 40 HG SER 40 8.440 12.098 -49.715 305 H THR 41 HN THR 41 5.336 8.263 -49.948 306 HA THR 41 HA THR 41 6.905 5.869 -49.336 307 HB THR 41 HB THR 41 4.624 6.156 -48.371 308 HG1 THR 41 HG1 THR 41 5.433 4.082 -48.677 309 HG21 THR 41 HG21 THR 41 2.682 6.113 -49.741 310 HG22 THR 41 HG22 THR 41 3.607 5.669 -51.173 311 HG23 THR 41 HG23 THR 41 3.750 7.292 -50.500 312 H ASN 42 HN ASN 42 7.531 7.333 -51.742 313 HA ASN 42 HA ASN 42 6.432 5.722 -53.919 314 HB2 ASN 42 HB2 ASN 42 7.600 7.238 -55.392 315 HB3 ASN 42 HB1 ASN 42 6.764 8.188 -54.165 316 HD21 ASN 42 HD21 ASN 42 8.939 9.377 -55.456 317 HD22 ASN 42 HD22 ASN 42 10.255 9.480 -54.388 318 H VAL 43 HN VAL 43 8.303 4.669 -51.767 319 HA VAL 43 HA VAL 43 10.693 3.996 -53.299 320 HB VAL 43 HB VAL 43 10.633 4.555 -50.790 321 HG11 VAL 43 HG11 VAL 43 9.869 1.638 -50.551 322 HG12 VAL 43 HG12 VAL 43 8.677 2.932 -50.427 323 HG13 VAL 43 HG13 VAL 43 10.002 2.840 -49.268 324 HG21 VAL 43 HG21 VAL 43 11.932 1.907 -51.471 325 HG22 VAL 43 HG22 VAL 43 12.527 3.166 -50.390 326 HG23 VAL 43 HG23 VAL 43 12.518 3.434 -52.132 327 H GLY 44 HN GLY 44 7.843 2.998 -53.893 328 HA2 GLY 44 HA2 GLY 44 7.463 1.017 -55.196 329 HA3 GLY 44 HA1 GLY 44 8.613 0.166 -54.170 330 H SER 45 HN SER 45 7.111 1.757 -51.882 331 HA SER 45 HA SER 45 5.217 -0.410 -51.371 332 HB2 SER 45 HB2 SER 45 5.120 0.515 -49.099 333 HB3 SER 45 HB1 SER 45 6.789 0.240 -49.592 334 HG SER 45 HG SER 45 6.744 2.514 -50.263 335 H ASN 46 HN ASN 46 4.744 1.805 -53.362 336 HA ASN 46 HA ASN 46 2.444 3.171 -52.147 337 HB2 ASN 46 HB2 ASN 46 2.467 4.595 -54.101 338 HB3 ASN 46 HB1 ASN 46 4.107 4.488 -53.464 339 HD21 ASN 46 HD21 ASN 46 3.823 5.201 -56.148 340 HD22 ASN 46 HD22 ASN 46 4.307 3.913 -57.142 341 H THR 47 HN THR 47 2.512 0.272 -52.860 342 HA THR 47 HA THR 47 0.642 0.106 -55.102 343 HB THR 47 HB THR 47 1.005 -2.409 -53.794 344 HG1 THR 47 HG1 THR 47 3.284 -2.494 -53.955 345 HG21 THR 47 HG21 THR 47 0.582 -2.250 -56.143 346 HG22 THR 47 HG22 THR 47 2.226 -2.867 -55.979 347 HG23 THR 47 HG23 THR 47 1.956 -1.171 -56.383 348 H TYR 48 HN TYR 48 -0.042 1.354 -52.450 349 HA TYR 48 HA TYR 48 -2.309 -0.410 -51.740 350 HB2 TYR 48 HB2 TYR 48 -2.253 0.502 -49.518 351 HB3 TYR 48 HB1 TYR 48 -0.611 0.005 -49.926 352 HD1 TYR 48 HD1 TYR 48 -2.761 2.767 -49.013 353 HD2 TYR 48 HD2 TYR 48 1.032 1.757 -50.758 354 HE1 TYR 48 HE1 TYR 48 -1.962 5.080 -48.613 355 HE2 TYR 48 HE2 TYR 48 1.831 4.071 -50.359 356 HH TYR 48 HH TYR 48 0.688 6.387 -50.084 357 H GLY 49 HN GLY 49 -2.011 1.757 -53.847 358 HA2 GLY 49 HA2 GLY 49 -3.422 4.069 -53.107 359 HA3 GLY 49 HA1 GLY 49 -3.315 3.426 -54.743 360 H LYS 50 HN LYS 50 -5.610 4.677 -53.561 361 HA LYS 50 HA LYS 50 -7.542 2.846 -52.640 362 HB2 LYS 50 HB2 LYS 50 -7.799 5.480 -54.098 363 HB3 LYS 50 HB1 LYS 50 -9.184 4.583 -53.474 364 HG2 LYS 50 HG2 LYS 50 -8.081 4.600 -51.209 365 HG3 LYS 50 HG1 LYS 50 -6.854 5.678 -51.876 366 HD2 LYS 50 HD2 LYS 50 -9.819 6.281 -51.983 367 HD3 LYS 50 HD1 LYS 50 -8.764 6.849 -50.688 368 HE2 LYS 50 HE2 LYS 50 -8.403 7.437 -53.642 369 HE3 LYS 50 HE1 LYS 50 -9.004 8.572 -52.434 370 HZ1 LYS 50 HZ1 LYS 50 -6.784 7.900 -51.247 371 HZ2 LYS 50 HZ2 LYS 50 -6.809 9.111 -52.439 372 HZ3 LYS 50 HZ3 LYS 50 -6.294 7.539 -52.830 373 H ARG 51 HN ARG 51 -6.547 3.794 -55.886 374 HA ARG 51 HA ARG 51 -8.650 2.644 -57.342 375 HB2 ARG 51 HB2 ARG 51 -7.204 2.759 -59.250 376 HB3 ARG 51 HB1 ARG 51 -6.848 4.162 -58.242 377 HG2 ARG 51 HG2 ARG 51 -4.959 2.859 -57.213 378 HG3 ARG 51 HG1 ARG 51 -5.261 1.584 -58.393 379 HD2 ARG 51 HD2 ARG 51 -4.904 3.222 -60.223 380 HD3 ARG 51 HD1 ARG 51 -4.536 4.459 -59.024 381 HE ARG 51 HE ARG 51 -2.803 2.301 -59.872 382 HH11 ARG 51 HH11 ARG 51 -3.569 4.579 -57.343 383 HH12 ARG 51 HH12 ARG 51 -1.973 4.556 -56.678 384 HH21 ARG 51 HH21 ARG 51 -0.727 2.294 -58.983 385 HH22 ARG 51 HH22 ARG 51 -0.373 3.272 -57.598 386 H ASN 52 HN ASN 52 -6.227 1.127 -55.469 387 HA ASN 52 HA ASN 52 -6.142 -1.338 -56.976 388 HB2 ASN 52 HB2 ASN 52 -4.210 -0.647 -55.636 389 HB3 ASN 52 HB1 ASN 52 -5.195 -0.689 -54.175 390 HD21 ASN 52 HD21 ASN 52 -5.337 -2.680 -53.100 391 HD22 ASN 52 HD22 ASN 52 -4.805 -4.156 -53.748 392 H ALA 53 HN ALA 53 -7.921 -0.041 -54.234 393 HA ALA 53 HA ALA 53 -8.982 -2.406 -53.181 394 HB1 ALA 53 HB1 ALA 53 -10.871 -0.927 -52.420 395 HB2 ALA 53 HB2 ALA 53 -10.138 0.381 -53.347 396 HB3 ALA 53 HB3 ALA 53 -9.264 -0.339 -51.995 397 H VAL 54 HN VAL 54 -10.263 -0.289 -55.744 398 HA VAL 54 HA VAL 54 -12.567 -1.911 -56.245 399 HB VAL 54 HB VAL 54 -12.449 0.494 -56.839 400 HG11 VAL 54 HG11 VAL 54 -10.529 -0.481 -58.976 401 HG12 VAL 54 HG12 VAL 54 -10.102 0.532 -57.597 402 HG13 VAL 54 HG13 VAL 54 -11.177 1.154 -58.848 403 HG21 VAL 54 HG21 VAL 54 -13.528 0.263 -59.030 404 HG22 VAL 54 HG22 VAL 54 -14.039 -1.051 -57.971 405 HG23 VAL 54 HG23 VAL 54 -12.832 -1.346 -59.222 406 H GLU 55 HN GLU 55 -9.277 -1.886 -57.459 407 HA GLU 55 HA GLU 55 -9.698 -3.497 -59.751 408 HB2 GLU 55 HB2 GLU 55 -7.625 -2.157 -59.211 409 HB3 GLU 55 HB1 GLU 55 -7.202 -3.413 -58.049 410 HG2 GLU 55 HG2 GLU 55 -7.881 -4.156 -60.882 411 HG3 GLU 55 HG1 GLU 55 -6.267 -3.569 -60.491 412 H VAL 56 HN VAL 56 -8.773 -4.327 -56.411 413 HA VAL 56 HA VAL 56 -8.757 -7.154 -56.957 414 HB VAL 56 HB VAL 56 -7.341 -6.121 -55.197 415 HG11 VAL 56 HG11 VAL 56 -9.990 -5.752 -53.764 416 HG12 VAL 56 HG12 VAL 56 -8.989 -4.451 -54.409 417 HG13 VAL 56 HG13 VAL 56 -8.395 -5.444 -53.079 418 HG21 VAL 56 HG21 VAL 56 -7.654 -7.888 -53.592 419 HG22 VAL 56 HG22 VAL 56 -8.104 -8.544 -55.166 420 HG23 VAL 56 HG23 VAL 56 -9.355 -8.057 -54.023 421 H LEU 57 HN LEU 57 -11.092 -4.836 -55.719 422 HA LEU 57 HA LEU 57 -12.938 -6.564 -54.529 423 HB2 LEU 57 HB2 LEU 57 -12.911 -3.837 -55.479 424 HB3 LEU 57 HB1 LEU 57 -14.443 -4.612 -55.877 425 HG LEU 57 HG LEU 57 -14.448 -5.465 -53.451 426 HD11 LEU 57 HD11 LEU 57 -11.992 -4.834 -53.148 427 HD12 LEU 57 HD12 LEU 57 -13.080 -4.320 -51.859 428 HD13 LEU 57 HD13 LEU 57 -12.530 -3.156 -53.065 429 HD21 LEU 57 HD21 LEU 57 -15.932 -3.672 -54.260 430 HD22 LEU 57 HD22 LEU 57 -14.652 -2.486 -54.004 431 HD23 LEU 57 HD23 LEU 57 -15.373 -3.318 -52.626 432 H LYS 58 HN LYS 58 -12.749 -5.527 -57.946 433 HA LYS 58 HA LYS 58 -14.976 -7.070 -58.773 434 HB2 LYS 58 HB2 LYS 58 -12.622 -5.927 -60.288 435 HB3 LYS 58 HB1 LYS 58 -13.944 -6.786 -61.080 436 HG2 LYS 58 HG2 LYS 58 -14.430 -4.443 -59.233 437 HG3 LYS 58 HG1 LYS 58 -14.162 -4.235 -60.964 438 HD2 LYS 58 HD2 LYS 58 -16.040 -5.908 -61.339 439 HD3 LYS 58 HD1 LYS 58 -16.393 -5.774 -59.616 440 HE2 LYS 58 HE2 LYS 58 -16.274 -3.398 -61.492 441 HE3 LYS 58 HE1 LYS 58 -17.767 -4.236 -61.069 442 HZ1 LYS 58 HZ1 LYS 58 -16.007 -3.346 -58.904 443 HZ2 LYS 58 HZ2 LYS 58 -17.699 -3.487 -58.935 444 HZ3 LYS 58 HZ3 LYS 58 -16.938 -2.178 -59.706 445 H ARG 59 HN ARG 59 -11.516 -7.724 -58.585 446 HA ARG 59 HA ARG 59 -11.518 -10.205 -59.939 447 HB2 ARG 59 HB2 ARG 59 -9.526 -8.719 -59.225 448 HB3 ARG 59 HB1 ARG 59 -9.649 -9.550 -57.674 449 HG2 ARG 59 HG2 ARG 59 -9.753 -11.362 -59.986 450 HG3 ARG 59 HG1 ARG 59 -8.233 -10.478 -59.849 451 HD2 ARG 59 HD2 ARG 59 -8.030 -11.202 -57.494 452 HD3 ARG 59 HD1 ARG 59 -9.536 -12.102 -57.645 453 HE ARG 59 HE ARG 59 -7.842 -12.991 -59.681 454 HH11 ARG 59 HH11 ARG 59 -7.946 -12.930 -56.195 455 HH12 ARG 59 HH12 ARG 59 -7.023 -14.382 -56.024 456 HH21 ARG 59 HH21 ARG 59 -6.638 -14.886 -59.427 457 HH22 ARG 59 HH22 ARG 59 -6.286 -15.484 -57.840 458 H GLU 60 HN GLU 60 -12.544 -9.281 -56.762 459 HA GLU 60 HA GLU 60 -12.714 -12.111 -55.938 460 HB2 GLU 60 HB2 GLU 60 -12.751 -9.549 -54.337 461 HB3 GLU 60 HB1 GLU 60 -13.087 -11.138 -53.649 462 HG2 GLU 60 HG2 GLU 60 -10.545 -10.432 -55.141 463 HG3 GLU 60 HG1 GLU 60 -10.697 -10.429 -53.384 464 HA PRO 61 HA PRO 61 -17.066 -10.867 -57.000 465 HB2 PRO 61 HB2 PRO 61 -17.784 -13.372 -57.891 466 HB3 PRO 61 HB1 PRO 61 -17.094 -12.107 -58.925 467 HG2 PRO 61 HG2 PRO 61 -15.780 -14.469 -57.689 468 HG3 PRO 61 HG1 PRO 61 -15.526 -13.737 -59.282 469 HD2 PRO 61 HD2 PRO 61 -13.816 -13.343 -57.194 470 HD3 PRO 61 HD1 PRO 61 -14.079 -12.126 -58.463 471 H LEU 62 HN LEU 62 -15.577 -12.949 -54.789 472 HA LEU 62 HA LEU 62 -17.702 -14.410 -53.701 473 HB2 LEU 62 HB2 LEU 62 -15.254 -14.627 -53.109 474 HB3 LEU 62 HB1 LEU 62 -15.437 -13.177 -52.121 475 HG LEU 62 HG LEU 62 -17.491 -15.258 -51.681 476 HD11 LEU 62 HD11 LEU 62 -15.510 -16.679 -51.980 477 HD12 LEU 62 HD12 LEU 62 -15.969 -16.626 -50.278 478 HD13 LEU 62 HD13 LEU 62 -14.602 -15.672 -50.853 479 HD21 LEU 62 HD21 LEU 62 -16.922 -14.639 -49.299 480 HD22 LEU 62 HD22 LEU 62 -17.430 -13.274 -50.294 481 HD23 LEU 62 HD23 LEU 62 -15.720 -13.519 -49.938 482 H ASN 63 HN ASN 63 -16.620 -11.093 -53.061 483 HA ASN 63 HA ASN 63 -18.518 -10.608 -50.983 484 HB2 ASN 63 HB2 ASN 63 -17.822 -8.318 -51.114 485 HB3 ASN 63 HB1 ASN 63 -16.387 -9.311 -51.359 486 HD21 ASN 63 HD21 ASN 63 -16.808 -6.543 -52.347 487 HD22 ASN 63 HD22 ASN 63 -16.692 -6.626 -54.039 488 H TYR 64 HN TYR 64 -18.726 -10.696 -54.416 489 HA TYR 64 HA TYR 64 -20.952 -8.901 -54.712 490 HB2 TYR 64 HB2 TYR 64 -19.346 -9.527 -56.548 491 HB3 TYR 64 HB1 TYR 64 -20.099 -11.122 -56.577 492 HD1 TYR 64 HD1 TYR 64 -20.766 -7.483 -56.994 493 HD2 TYR 64 HD2 TYR 64 -22.201 -11.480 -57.638 494 HE1 TYR 64 HE1 TYR 64 -22.590 -6.598 -58.423 495 HE2 TYR 64 HE2 TYR 64 -24.025 -10.596 -59.066 496 HH TYR 64 HH TYR 64 -25.218 -8.592 -59.490 497 H LEU 65 HN LEU 65 -20.559 -12.395 -54.304 498 HA LEU 65 HA LEU 65 -23.315 -13.015 -54.709 499 HB2 LEU 65 HB2 LEU 65 -21.092 -14.556 -53.351 500 HB3 LEU 65 HB1 LEU 65 -22.689 -15.215 -53.703 501 HG LEU 65 HG LEU 65 -20.886 -14.021 -55.822 502 HD11 LEU 65 HD11 LEU 65 -20.336 -16.336 -56.439 503 HD12 LEU 65 HD12 LEU 65 -21.298 -16.937 -55.088 504 HD13 LEU 65 HD13 LEU 65 -19.830 -16.010 -54.781 505 HD21 LEU 65 HD21 LEU 65 -22.431 -15.460 -57.271 506 HD22 LEU 65 HD22 LEU 65 -23.173 -14.043 -56.531 507 HD23 LEU 65 HD23 LEU 65 -23.445 -15.643 -55.839 508 HA PRO 66 HA PRO 66 -25.245 -12.067 -50.867 509 HB2 PRO 66 HB2 PRO 66 -26.045 -14.925 -50.588 510 HB3 PRO 66 HB1 PRO 66 -27.052 -13.465 -50.589 511 HG2 PRO 66 HG2 PRO 66 -26.973 -15.105 -52.685 512 HG3 PRO 66 HG1 PRO 66 -27.121 -13.350 -52.879 513 HD2 PRO 66 HD2 PRO 66 -24.743 -15.102 -53.335 514 HD3 PRO 66 HD1 PRO 66 -25.228 -13.612 -54.174 515 H LEU 67 HN LEU 67 -24.693 -11.990 -48.719 516 HA LEU 67 HA LEU 67 -23.346 -14.165 -47.391 517 HB2 LEU 67 HB2 LEU 67 -21.786 -12.104 -48.703 518 HB3 LEU 67 HB1 LEU 67 -21.503 -12.103 -46.962 519 HG LEU 67 HG LEU 67 -21.460 -14.637 -48.613 520 HD11 LEU 67 HD11 LEU 67 -19.735 -12.952 -49.372 521 HD12 LEU 67 HD12 LEU 67 -19.056 -14.448 -48.731 522 HD13 LEU 67 HD13 LEU 67 -19.071 -12.991 -47.738 523 HD21 LEU 67 HD21 LEU 67 -21.781 -14.680 -46.082 524 HD22 LEU 67 HD22 LEU 67 -20.160 -13.996 -45.953 525 HD23 LEU 67 HD23 LEU 67 -20.392 -15.584 -46.684 Start of MODEL 11 1 H1 THR 1 HT1 THR 1 -2.753 -2.271 -1.603 2 H2 THR 1 HT2 THR 1 -3.836 -1.722 -0.414 3 H3 THR 1 HT3 THR 1 -4.088 -3.223 -1.171 4 HA THR 1 HA THR 1 -3.215 -3.706 0.943 5 HB THR 1 HB THR 1 -1.956 -4.417 -1.452 6 HG1 THR 1 HG1 THR 1 -1.128 -6.123 -0.049 7 HG21 THR 1 HG21 THR 1 0.408 -4.563 -0.936 8 HG22 THR 1 HG22 THR 1 0.152 -3.834 0.647 9 HG23 THR 1 HG23 THR 1 -0.084 -2.875 -0.816 10 HA PRO 2 HA PRO 2 -0.881 -0.574 2.989 11 HB2 PRO 2 HB2 PRO 2 0.569 -1.991 4.810 12 HB3 PRO 2 HB1 PRO 2 -1.188 -1.776 4.933 13 HG2 PRO 2 HG2 PRO 2 0.369 -4.120 3.974 14 HG3 PRO 2 HG1 PRO 2 -1.117 -4.066 4.936 15 HD2 PRO 2 HD2 PRO 2 -1.064 -4.587 2.228 16 HD3 PRO 2 HD1 PRO 2 -2.468 -3.905 3.077 17 H ILE 3 HN ILE 3 1.208 0.396 3.249 18 HA ILE 3 HA ILE 3 2.986 0.141 1.155 19 HB ILE 3 HB ILE 3 2.837 1.991 2.923 20 HG12 ILE 3 HG12 ILE 3 5.423 2.316 2.781 21 HG13 ILE 3 HG11 ILE 3 5.393 0.848 1.804 22 HG21 ILE 3 HG21 ILE 3 3.186 0.321 4.818 23 HG22 ILE 3 HG22 ILE 3 4.186 1.771 4.890 24 HG23 ILE 3 HG23 ILE 3 4.878 0.250 4.326 25 HD11 ILE 3 HD11 ILE 3 3.819 3.381 1.251 26 HD12 ILE 3 HD12 ILE 3 3.737 1.904 0.291 27 HD13 ILE 3 HD13 ILE 3 5.238 2.828 0.360 28 H GLU 4 HN GLU 4 4.877 -0.965 0.778 29 HA GLU 4 HA GLU 4 5.459 -3.187 2.643 30 HB2 GLU 4 HB2 GLU 4 6.240 -4.455 0.710 31 HB3 GLU 4 HB1 GLU 4 4.585 -3.909 0.439 32 HG2 GLU 4 HG2 GLU 4 5.452 -1.978 -0.856 33 HG3 GLU 4 HG1 GLU 4 7.093 -2.579 -0.626 34 H SER 5 HN SER 5 7.797 -4.019 2.264 35 HA SER 5 HA SER 5 9.571 -1.905 2.984 36 HB2 SER 5 HB2 SER 5 11.261 -3.619 3.125 37 HB3 SER 5 HB1 SER 5 9.761 -4.281 3.768 38 HG SER 5 HG SER 5 9.425 -5.112 1.579 39 H HIS 6 HN HIS 6 11.616 -1.433 1.871 40 HA HIS 6 HA HIS 6 11.214 -1.353 -1.054 41 HB2 HIS 6 HB2 HIS 6 12.911 0.529 -0.937 42 HB3 HIS 6 HB1 HIS 6 11.355 0.863 -0.178 43 HD1 HIS 6 HD1 HIS 6 11.383 1.470 2.262 44 HD2 HIS 6 HD2 HIS 6 14.988 -0.225 1.034 45 HE1 HIS 6 HE1 HIS 6 12.974 1.673 4.222 46 HE2 HIS 6 HE2 HIS 6 15.177 0.643 3.489 47 H GLN 7 HN GLN 7 12.360 -3.600 0.507 48 HA GLN 7 HA GLN 7 15.157 -3.704 0.326 49 HB2 GLN 7 HB2 GLN 7 13.804 -5.359 1.558 50 HB3 GLN 7 HB1 GLN 7 13.178 -5.977 0.029 51 HG2 GLN 7 HG2 GLN 7 15.423 -6.616 -0.679 52 HG3 GLN 7 HG1 GLN 7 16.115 -5.900 0.776 53 HE21 GLN 7 HE21 GLN 7 15.474 -8.856 -0.446 54 HE22 GLN 7 HE22 GLN 7 15.066 -9.694 0.973 55 H VAL 8 HN VAL 8 16.547 -4.025 -1.314 56 HA VAL 8 HA VAL 8 15.489 -4.907 -3.920 57 HB VAL 8 HB VAL 8 15.633 -2.448 -3.968 58 HG11 VAL 8 HG11 VAL 8 17.392 -2.204 -2.247 59 HG12 VAL 8 HG12 VAL 8 17.835 -1.364 -3.733 60 HG13 VAL 8 HG13 VAL 8 18.566 -2.922 -3.349 61 HG21 VAL 8 HG21 VAL 8 16.224 -3.905 -5.968 62 HG22 VAL 8 HG22 VAL 8 17.919 -3.666 -5.543 63 HG23 VAL 8 HG23 VAL 8 16.919 -2.285 -5.996 64 H GLU 9 HN GLU 9 16.868 -6.165 -5.114 65 HA GLU 9 HA GLU 9 19.515 -6.722 -3.919 66 HB2 GLU 9 HB2 GLU 9 19.048 -9.069 -5.055 67 HB3 GLU 9 HB1 GLU 9 18.441 -8.707 -3.441 68 HG2 GLU 9 HG2 GLU 9 16.707 -9.715 -4.933 69 HG3 GLU 9 HG1 GLU 9 16.257 -8.120 -4.337 70 H LYS 10 HN LYS 10 19.698 -4.827 -5.653 71 HA LYS 10 HA LYS 10 19.683 -5.446 -8.399 72 HB2 LYS 10 HB2 LYS 10 21.110 -3.481 -8.667 73 HB3 LYS 10 HB1 LYS 10 19.829 -3.143 -7.503 74 HG2 LYS 10 HG2 LYS 10 21.389 -3.628 -5.648 75 HG3 LYS 10 HG1 LYS 10 22.673 -3.943 -6.816 76 HD2 LYS 10 HD2 LYS 10 22.475 -1.636 -7.664 77 HD3 LYS 10 HD1 LYS 10 21.189 -1.317 -6.499 78 HE2 LYS 10 HE2 LYS 10 22.746 -1.786 -4.645 79 HE3 LYS 10 HE1 LYS 10 24.034 -2.106 -5.806 80 HZ1 LYS 10 HZ1 LYS 10 24.169 0.147 -4.975 81 HZ2 LYS 10 HZ2 LYS 10 22.578 0.462 -5.482 82 HZ3 LYS 10 HZ3 LYS 10 23.794 0.159 -6.629 83 H ARG 11 HN ARG 11 21.560 -5.713 -9.814 84 HA ARG 11 HA ARG 11 23.927 -6.903 -8.576 85 HB2 ARG 11 HB2 ARG 11 23.752 -8.828 -10.270 86 HB3 ARG 11 HB1 ARG 11 22.713 -8.901 -8.853 87 HG2 ARG 11 HG2 ARG 11 21.299 -9.460 -10.675 88 HG3 ARG 11 HG1 ARG 11 20.907 -7.782 -10.325 89 HD2 ARG 11 HD2 ARG 11 23.130 -8.019 -12.198 90 HD3 ARG 11 HD1 ARG 11 21.678 -8.814 -12.793 91 HE ARG 11 HE ARG 11 22.086 -5.994 -12.557 92 HH11 ARG 11 HH11 ARG 11 19.690 -8.512 -12.270 93 HH12 ARG 11 HH12 ARG 11 18.369 -7.461 -12.648 94 HH21 ARG 11 HH21 ARG 11 20.343 -4.646 -13.055 95 HH22 ARG 11 HH22 ARG 11 18.734 -5.286 -13.090 96 H LYS 12 HN LYS 12 25.640 -7.357 -10.220 97 HA LYS 12 HA LYS 12 25.933 -5.067 -11.937 98 HB2 LYS 12 HB2 LYS 12 28.135 -5.991 -12.437 99 HB3 LYS 12 HB1 LYS 12 27.837 -6.064 -10.700 100 HG2 LYS 12 HG2 LYS 12 27.126 -8.430 -10.938 101 HG3 LYS 12 HG1 LYS 12 27.491 -8.351 -12.662 102 HD2 LYS 12 HD2 LYS 12 29.448 -9.282 -11.736 103 HD3 LYS 12 HD1 LYS 12 29.851 -7.574 -11.909 104 HE2 LYS 12 HE2 LYS 12 30.532 -8.282 -9.696 105 HE3 LYS 12 HE1 LYS 12 29.126 -7.232 -9.524 106 HZ1 LYS 12 HZ1 LYS 12 29.186 -9.463 -8.268 107 HZ2 LYS 12 HZ2 LYS 12 28.777 -10.146 -9.769 108 HZ3 LYS 12 HZ3 LYS 12 27.752 -9.000 -9.046 109 H CYS 13 HN CYS 13 26.158 -5.059 -14.197 110 HA CYS 13 HA CYS 13 24.420 -6.885 -15.568 111 HB2 CYS 13 HB2 CYS 13 26.004 -4.469 -16.297 112 HB3 CYS 13 HB1 CYS 13 25.534 -5.562 -17.600 113 H ASN 14 HN ASN 14 25.808 -8.777 -14.807 114 HA ASN 14 HA ASN 14 28.014 -9.276 -16.709 115 HB2 ASN 14 HB2 ASN 14 28.819 -10.943 -15.089 116 HB3 ASN 14 HB1 ASN 14 28.708 -9.344 -14.355 117 HD21 ASN 14 HD21 ASN 14 28.663 -11.093 -12.406 118 HD22 ASN 14 HD22 ASN 14 27.102 -11.494 -11.874 119 H THR 15 HN THR 15 25.152 -9.583 -17.263 120 HA THR 15 HA THR 15 25.224 -12.409 -18.051 121 HB THR 15 HB THR 15 23.897 -12.298 -15.961 122 HG1 THR 15 HG1 THR 15 22.550 -13.670 -16.807 123 HG21 THR 15 HG21 THR 15 21.763 -11.069 -15.969 124 HG22 THR 15 HG22 THR 15 22.129 -10.439 -17.574 125 HG23 THR 15 HG23 THR 15 23.121 -9.968 -16.195 126 H ALA 16 HN ALA 16 23.953 -12.887 -19.895 127 HA ALA 16 HA ALA 16 23.893 -10.900 -21.872 128 HB1 ALA 16 HB1 ALA 16 23.834 -13.513 -22.040 129 HB2 ALA 16 HB2 ALA 16 23.058 -12.538 -23.288 130 HB3 ALA 16 HB3 ALA 16 22.086 -13.284 -22.020 131 H THR 17 HN THR 17 21.607 -11.656 -19.392 132 HA THR 17 HA THR 17 19.227 -10.759 -20.605 133 HB THR 17 HB THR 17 20.044 -10.660 -17.691 134 HG1 THR 17 HG1 THR 17 18.633 -12.568 -19.243 135 HG21 THR 17 HG21 THR 17 17.578 -10.668 -17.313 136 HG22 THR 17 HG22 THR 17 17.342 -10.478 -19.050 137 HG23 THR 17 HG23 THR 17 18.138 -9.206 -18.124 138 H CYS 18 HN CYS 18 21.783 -9.032 -18.868 139 HA CYS 18 HA CYS 18 20.522 -6.535 -18.642 140 HB2 CYS 18 HB2 CYS 18 22.610 -7.076 -17.472 141 HB3 CYS 18 HB1 CYS 18 23.464 -7.150 -19.013 142 H ALA 19 HN ALA 19 22.679 -7.778 -21.194 143 HA ALA 19 HA ALA 19 22.569 -5.477 -22.834 144 HB1 ALA 19 HB1 ALA 19 23.303 -8.350 -23.274 145 HB2 ALA 19 HB2 ALA 19 24.316 -6.910 -23.377 146 HB3 ALA 19 HB3 ALA 19 23.154 -7.263 -24.655 147 H THR 20 HN THR 20 20.663 -8.464 -22.807 148 HA THR 20 HA THR 20 19.171 -8.201 -25.088 149 HB THR 20 HB THR 20 18.220 -9.130 -22.372 150 HG1 THR 20 HG1 THR 20 20.059 -10.172 -23.443 151 HG21 THR 20 HG21 THR 20 17.057 -9.453 -25.148 152 HG22 THR 20 HG22 THR 20 16.294 -8.693 -23.751 153 HG23 THR 20 HG23 THR 20 16.569 -10.435 -23.767 154 H GLN 21 HN GLN 21 18.573 -6.587 -21.974 155 HA GLN 21 HA GLN 21 16.213 -5.260 -22.998 156 HB2 GLN 21 HB2 GLN 21 15.776 -4.693 -20.840 157 HB3 GLN 21 HB1 GLN 21 16.920 -5.993 -20.510 158 HG2 GLN 21 HG2 GLN 21 18.749 -4.199 -20.596 159 HG3 GLN 21 HG1 GLN 21 17.444 -3.017 -20.533 160 HE21 GLN 21 HE21 GLN 21 18.724 -2.566 -18.372 161 HE22 GLN 21 HE22 GLN 21 18.189 -3.423 -17.008 162 H ARG 22 HN ARG 22 19.617 -4.503 -22.690 163 HA ARG 22 HA ARG 22 19.231 -1.661 -22.930 164 HB2 ARG 22 HB2 ARG 22 21.482 -1.451 -22.615 165 HB3 ARG 22 HB1 ARG 22 21.257 -3.056 -21.933 166 HG2 ARG 22 HG2 ARG 22 23.028 -3.493 -23.336 167 HG3 ARG 22 HG1 ARG 22 21.716 -3.791 -24.466 168 HD2 ARG 22 HD2 ARG 22 22.572 -2.189 -25.795 169 HD3 ARG 22 HD1 ARG 22 22.186 -1.009 -24.545 170 HE ARG 22 HE ARG 22 24.436 -0.957 -23.967 171 HH11 ARG 22 HH11 ARG 22 23.768 -3.722 -25.985 172 HH12 ARG 22 HH12 ARG 22 25.437 -4.131 -26.181 173 HH21 ARG 22 HH21 ARG 22 26.608 -1.513 -24.242 174 HH22 ARG 22 HH22 ARG 22 27.037 -2.890 -25.202 175 H LEU 23 HN LEU 23 19.643 -4.299 -25.185 176 HA LEU 23 HA LEU 23 20.210 -2.490 -27.391 177 HB2 LEU 23 HB2 LEU 23 20.318 -4.448 -28.788 178 HB3 LEU 23 HB1 LEU 23 21.194 -4.787 -27.298 179 HG LEU 23 HG LEU 23 18.688 -5.627 -26.615 180 HD11 LEU 23 HD11 LEU 23 18.005 -5.157 -29.041 181 HD12 LEU 23 HD12 LEU 23 17.671 -6.783 -28.451 182 HD13 LEU 23 HD13 LEU 23 19.062 -6.493 -29.494 183 HD21 LEU 23 HD21 LEU 23 19.572 -7.921 -27.133 184 HD22 LEU 23 HD22 LEU 23 20.729 -6.906 -26.272 185 HD23 LEU 23 HD23 LEU 23 20.903 -7.162 -28.007 186 H ALA 24 HN ALA 24 17.467 -4.215 -26.048 187 HA ALA 24 HA ALA 24 15.687 -4.001 -28.196 188 HB1 ALA 24 HB1 ALA 24 15.358 -4.201 -25.224 189 HB2 ALA 24 HB2 ALA 24 14.914 -5.359 -26.478 190 HB3 ALA 24 HB3 ALA 24 13.948 -3.904 -26.240 191 H ASN 25 HN ASN 25 16.249 -1.740 -25.486 192 HA ASN 25 HA ASN 25 14.330 0.169 -26.304 193 HB2 ASN 25 HB2 ASN 25 16.799 0.365 -24.579 194 HB3 ASN 25 HB1 ASN 25 15.710 1.724 -24.848 195 HD21 ASN 25 HD21 ASN 25 16.081 0.545 -22.242 196 HD22 ASN 25 HD22 ASN 25 14.615 -0.177 -21.785 197 H PHE 26 HN PHE 26 17.786 -0.193 -26.997 198 HA PHE 26 HA PHE 26 18.113 2.272 -28.350 199 HB2 PHE 26 HB2 PHE 26 19.998 0.904 -27.511 200 HB3 PHE 26 HB1 PHE 26 19.649 -0.307 -28.745 201 HD1 PHE 26 HD1 PHE 26 20.573 3.271 -28.248 202 HD2 PHE 26 HD2 PHE 26 20.418 -0.045 -30.974 203 HE1 PHE 26 HE1 PHE 26 21.906 4.562 -29.894 204 HE2 PHE 26 HE2 PHE 26 21.750 1.246 -32.621 205 HZ PHE 26 HZ PHE 26 22.494 3.549 -32.081 206 H LEU 27 HN LEU 27 17.136 -0.944 -29.449 207 HA LEU 27 HA LEU 27 17.247 -0.377 -32.219 208 HB2 LEU 27 HB2 LEU 27 17.221 -2.668 -31.355 209 HB3 LEU 27 HB1 LEU 27 15.625 -2.420 -30.668 210 HG LEU 27 HG LEU 27 15.880 -3.676 -32.950 211 HD11 LEU 27 HD11 LEU 27 13.819 -1.483 -33.004 212 HD12 LEU 27 HD12 LEU 27 13.760 -2.726 -31.755 213 HD13 LEU 27 HD13 LEU 27 13.660 -3.179 -33.455 214 HD21 LEU 27 HD21 LEU 27 17.248 -1.671 -33.873 215 HD22 LEU 27 HD22 LEU 27 15.684 -0.885 -34.075 216 HD23 LEU 27 HD23 LEU 27 16.026 -2.395 -34.915 217 H VAL 28 HN VAL 28 14.405 -0.600 -30.039 218 HA VAL 28 HA VAL 28 12.485 0.267 -31.841 219 HB VAL 28 HB VAL 28 11.158 0.931 -29.874 220 HG11 VAL 28 HG11 VAL 28 11.539 -1.492 -30.571 221 HG12 VAL 28 HG12 VAL 28 11.033 -1.250 -28.899 222 HG13 VAL 28 HG13 VAL 28 12.724 -1.586 -29.269 223 HG21 VAL 28 HG21 VAL 28 13.718 0.378 -28.342 224 HG22 VAL 28 HG22 VAL 28 12.154 0.774 -27.633 225 HG23 VAL 28 HG23 VAL 28 13.015 1.974 -28.597 226 H HIS 29 HN HIS 29 14.993 2.086 -30.302 227 HA HIS 29 HA HIS 29 13.666 4.631 -30.894 228 HB2 HIS 29 HB2 HIS 29 14.721 4.454 -28.708 229 HB3 HIS 29 HB1 HIS 29 16.259 4.025 -29.457 230 HD1 HIS 29 HD1 HIS 29 13.752 6.903 -29.526 231 HD2 HIS 29 HD2 HIS 29 17.833 6.223 -30.041 232 HE1 HIS 29 HE1 HIS 29 14.823 9.176 -29.840 233 HE2 HIS 29 HE2 HIS 29 17.311 8.779 -30.156 234 H SER 30 HN SER 30 16.261 2.572 -31.979 235 HA SER 30 HA SER 30 17.258 4.626 -33.830 236 HB2 SER 30 HB2 SER 30 18.761 3.100 -32.368 237 HB3 SER 30 HB1 SER 30 18.370 1.848 -33.543 238 HG SER 30 HG SER 30 20.119 2.816 -34.387 239 H SER 31 HN SER 31 14.642 3.006 -34.033 240 HA SER 31 HA SER 31 14.711 1.136 -36.064 241 HB2 SER 31 HB2 SER 31 12.653 1.704 -34.875 242 HB3 SER 31 HB1 SER 31 12.647 3.305 -35.608 243 HG SER 31 HG SER 31 12.532 0.823 -36.991 244 H ASN 32 HN ASN 32 14.466 4.665 -36.366 245 HA ASN 32 HA ASN 32 14.304 4.966 -39.097 246 HB2 ASN 32 HB2 ASN 32 15.663 7.095 -38.730 247 HB3 ASN 32 HB1 ASN 32 14.200 6.925 -37.762 248 HD21 ASN 32 HD21 ASN 32 17.500 7.637 -37.546 249 HD22 ASN 32 HD22 ASN 32 17.709 7.344 -35.887 250 H ASN 33 HN ASN 33 17.293 4.714 -37.178 251 HA ASN 33 HA ASN 33 19.102 4.758 -39.332 252 HB2 ASN 33 HB2 ASN 33 19.284 3.533 -36.578 253 HB3 ASN 33 HB1 ASN 33 20.632 3.547 -37.713 254 HD21 ASN 33 HD21 ASN 33 20.939 5.935 -38.721 255 HD22 ASN 33 HD22 ASN 33 20.910 7.185 -37.572 256 H PHE 34 HN PHE 34 17.467 2.030 -37.731 257 HA PHE 34 HA PHE 34 18.747 -0.059 -39.055 258 HB2 PHE 34 HB2 PHE 34 17.177 -0.385 -37.182 259 HB3 PHE 34 HB1 PHE 34 15.839 0.094 -38.225 260 HD1 PHE 34 HD1 PHE 34 18.623 -2.383 -37.931 261 HD2 PHE 34 HD2 PHE 34 14.773 -1.487 -39.612 262 HE1 PHE 34 HE1 PHE 34 18.453 -4.707 -38.781 263 HE2 PHE 34 HE2 PHE 34 14.603 -3.811 -40.462 264 HZ PHE 34 HZ PHE 34 16.443 -5.420 -40.047 265 H GLY 35 HN GLY 35 15.916 1.846 -40.035 266 HA2 GLY 35 HA2 GLY 35 15.329 0.436 -42.405 267 HA3 GLY 35 HA1 GLY 35 14.877 2.106 -42.079 268 H ALA 36 HN ALA 36 17.441 3.191 -41.745 269 HA ALA 36 HA ALA 36 18.142 3.840 -44.390 270 HB1 ALA 36 HB1 ALA 36 19.745 5.226 -43.468 271 HB2 ALA 36 HB2 ALA 36 20.149 4.084 -42.186 272 HB3 ALA 36 HB3 ALA 36 18.659 5.024 -42.093 273 H ILE 37 HN ILE 37 19.670 1.607 -42.078 274 HA ILE 37 HA ILE 37 21.794 0.854 -43.835 275 HB ILE 37 HB ILE 37 20.647 -0.428 -41.350 276 HG12 ILE 37 HG12 ILE 37 23.323 0.913 -41.817 277 HG13 ILE 37 HG11 ILE 37 21.906 1.791 -41.243 278 HG21 ILE 37 HG21 ILE 37 22.813 -1.765 -41.425 279 HG22 ILE 37 HG22 ILE 37 22.981 -1.240 -43.100 280 HG23 ILE 37 HG23 ILE 37 21.600 -2.227 -42.619 281 HD11 ILE 37 HD11 ILE 37 23.160 -0.614 -39.885 282 HD12 ILE 37 HD12 ILE 37 21.735 0.255 -39.316 283 HD13 ILE 37 HD13 ILE 37 23.304 1.060 -39.349 284 H LEU 38 HN LEU 38 18.704 -0.701 -42.965 285 HA LEU 38 HA LEU 38 19.020 -3.014 -44.515 286 HB2 LEU 38 HB2 LEU 38 17.244 -2.706 -42.819 287 HB3 LEU 38 HB1 LEU 38 16.457 -1.532 -43.872 288 HG LEU 38 HG LEU 38 16.292 -3.308 -45.636 289 HD11 LEU 38 HD11 LEU 38 18.048 -4.811 -45.036 290 HD12 LEU 38 HD12 LEU 38 16.551 -5.689 -44.726 291 HD13 LEU 38 HD13 LEU 38 17.445 -4.971 -43.386 292 HD21 LEU 38 HD21 LEU 38 14.372 -2.854 -44.204 293 HD22 LEU 38 HD22 LEU 38 15.032 -3.887 -42.937 294 HD23 LEU 38 HD23 LEU 38 14.492 -4.595 -44.459 295 H SER 39 HN SER 39 17.584 0.124 -45.317 296 HA SER 39 HA SER 39 16.609 -0.379 -47.846 297 HB2 SER 39 HB2 SER 39 17.964 2.120 -46.816 298 HB3 SER 39 HB1 SER 39 17.032 2.034 -48.308 299 HG SER 39 HG SER 39 16.161 2.349 -45.814 300 H SER 40 HN SER 40 19.912 -0.135 -46.797 301 HA SER 40 HA SER 40 20.926 0.078 -49.531 302 HB2 SER 40 HB2 SER 40 22.351 -0.078 -46.867 303 HB3 SER 40 HB1 SER 40 23.151 0.112 -48.424 304 HG SER 40 HG SER 40 22.858 2.155 -47.808 305 H THR 41 HN THR 41 19.412 -2.287 -48.770 306 HA THR 41 HA THR 41 21.421 -4.403 -48.570 307 HB THR 41 HB THR 41 19.303 -4.528 -47.254 308 HG1 THR 41 HG1 THR 41 19.538 -6.528 -49.247 309 HG21 THR 41 HG21 THR 41 17.202 -4.846 -48.315 310 HG22 THR 41 HG22 THR 41 17.947 -5.097 -49.892 311 HG23 THR 41 HG23 THR 41 17.938 -3.490 -49.167 312 H ASN 42 HN ASN 42 21.385 -2.750 -50.948 313 HA ASN 42 HA ASN 42 20.250 -4.476 -53.023 314 HB2 ASN 42 HB2 ASN 42 20.845 -2.704 -54.565 315 HB3 ASN 42 HB1 ASN 42 20.018 -2.000 -53.177 316 HD21 ASN 42 HD21 ASN 42 22.209 -0.919 -55.098 317 HD22 ASN 42 HD22 ASN 42 23.389 -0.310 -54.042 318 H VAL 43 HN VAL 43 22.594 -5.235 -51.293 319 HA VAL 43 HA VAL 43 24.791 -5.327 -53.221 320 HB VAL 43 HB VAL 43 25.075 -4.861 -50.722 321 HG11 VAL 43 HG11 VAL 43 24.870 -7.868 -50.486 322 HG12 VAL 43 HG12 VAL 43 23.511 -6.805 -50.119 323 HG13 VAL 43 HG13 VAL 43 25.006 -6.677 -49.193 324 HG21 VAL 43 HG21 VAL 43 26.684 -7.233 -51.690 325 HG22 VAL 43 HG22 VAL 43 27.221 -5.873 -50.706 326 HG23 VAL 43 HG23 VAL 43 26.865 -5.636 -52.416 327 H GLY 44 HN GLY 44 22.182 -6.817 -53.542 328 HA2 GLY 44 HA2 GLY 44 21.783 -8.791 -54.740 329 HA3 GLY 44 HA1 GLY 44 23.380 -9.370 -54.279 330 H SER 45 HN SER 45 21.383 -8.058 -51.786 331 HA SER 45 HA SER 45 20.754 -10.793 -50.848 332 HB2 SER 45 HB2 SER 45 21.041 -9.946 -48.550 333 HB3 SER 45 HB1 SER 45 22.523 -9.777 -49.487 334 HG SER 45 HG SER 45 22.336 -7.786 -48.765 335 H ASN 46 HN ASN 46 19.163 -8.807 -52.436 336 HA ASN 46 HA ASN 46 17.028 -8.129 -50.535 337 HB2 ASN 46 HB2 ASN 46 16.135 -6.721 -52.264 338 HB3 ASN 46 HB1 ASN 46 17.870 -6.422 -52.177 339 HD21 ASN 46 HD21 ASN 46 16.498 -5.814 -54.566 340 HD22 ASN 46 HD22 ASN 46 16.956 -6.919 -55.771 341 H THR 47 HN THR 47 17.652 -10.898 -51.467 342 HA THR 47 HA THR 47 15.342 -11.571 -53.127 343 HB THR 47 HB THR 47 17.100 -13.657 -51.919 344 HG1 THR 47 HG1 THR 47 18.810 -12.900 -52.835 345 HG21 THR 47 HG21 THR 47 15.985 -13.222 -54.703 346 HG22 THR 47 HG22 THR 47 15.209 -14.190 -53.449 347 HG23 THR 47 HG23 THR 47 16.769 -14.685 -54.108 348 H TYR 48 HN TYR 48 15.074 -10.540 -50.327 349 HA TYR 48 HA TYR 48 13.562 -12.831 -49.224 350 HB2 TYR 48 HB2 TYR 48 14.082 -12.053 -46.987 351 HB3 TYR 48 HB1 TYR 48 15.588 -12.268 -47.880 352 HD1 TYR 48 HD1 TYR 48 13.318 -9.862 -46.320 353 HD2 TYR 48 HD2 TYR 48 16.823 -10.305 -48.763 354 HE1 TYR 48 HE1 TYR 48 13.893 -7.482 -45.928 355 HE2 TYR 48 HE2 TYR 48 17.398 -7.925 -48.370 356 HH TYR 48 HH TYR 48 15.366 -5.686 -47.380 357 H GLY 49 HN GLY 49 12.862 -10.431 -50.992 358 HA2 GLY 49 HA2 GLY 49 11.279 -8.630 -49.481 359 HA3 GLY 49 HA1 GLY 49 11.138 -8.922 -51.212 360 H LYS 50 HN LYS 50 8.936 -8.470 -49.494 361 HA LYS 50 HA LYS 50 7.665 -10.843 -48.631 362 HB2 LYS 50 HB2 LYS 50 6.557 -8.153 -49.452 363 HB3 LYS 50 HB1 LYS 50 5.571 -9.444 -48.764 364 HG2 LYS 50 HG2 LYS 50 7.155 -9.493 -46.798 365 HG3 LYS 50 HG1 LYS 50 7.921 -8.048 -47.459 366 HD2 LYS 50 HD2 LYS 50 4.947 -8.180 -46.938 367 HD3 LYS 50 HD1 LYS 50 6.090 -7.674 -45.694 368 HE2 LYS 50 HE2 LYS 50 6.005 -6.405 -48.439 369 HE3 LYS 50 HE1 LYS 50 5.065 -5.793 -47.078 370 HZ1 LYS 50 HZ1 LYS 50 7.910 -6.287 -46.637 371 HZ2 LYS 50 HZ2 LYS 50 6.906 -5.073 -46.003 372 HZ3 LYS 50 HZ3 LYS 50 7.496 -4.948 -47.591 373 H ARG 51 HN ARG 51 7.961 -9.315 -51.750 374 HA ARG 51 HA ARG 51 5.797 -10.543 -53.075 375 HB2 ARG 51 HB2 ARG 51 6.879 -9.904 -55.111 376 HB3 ARG 51 HB1 ARG 51 7.210 -8.632 -53.935 377 HG2 ARG 51 HG2 ARG 51 9.395 -9.786 -53.421 378 HG3 ARG 51 HG1 ARG 51 9.072 -10.870 -54.775 379 HD2 ARG 51 HD2 ARG 51 8.921 -8.911 -56.286 380 HD3 ARG 51 HD1 ARG 51 9.301 -7.852 -54.932 381 HE ARG 51 HE ARG 51 11.156 -9.523 -56.393 382 HH11 ARG 51 HH11 ARG 51 10.493 -7.865 -53.396 383 HH12 ARG 51 HH12 ARG 51 12.161 -7.744 -52.958 384 HH21 ARG 51 HH21 ARG 51 13.327 -9.351 -55.794 385 HH22 ARG 51 HH22 ARG 51 13.757 -8.579 -54.304 386 H ASN 52 HN ASN 52 8.665 -11.900 -51.822 387 HA ASN 52 HA ASN 52 8.835 -14.071 -53.733 388 HB2 ASN 52 HB2 ASN 52 10.519 -12.959 -51.731 389 HB3 ASN 52 HB1 ASN 52 10.234 -14.647 -51.308 390 HD21 ASN 52 HD21 ASN 52 10.039 -15.850 -53.836 391 HD22 ASN 52 HD22 ASN 52 11.508 -15.665 -54.667 392 H ALA 53 HN ALA 53 7.397 -13.465 -50.596 393 HA ALA 53 HA ALA 53 6.939 -16.094 -49.750 394 HB1 ALA 53 HB1 ALA 53 5.544 -15.175 -48.153 395 HB2 ALA 53 HB2 ALA 53 4.887 -13.974 -49.265 396 HB3 ALA 53 HB3 ALA 53 6.505 -13.764 -48.596 397 H VAL 54 HN VAL 54 4.969 -13.969 -51.812 398 HA VAL 54 HA VAL 54 2.879 -15.917 -52.137 399 HB VAL 54 HB VAL 54 2.701 -13.353 -52.371 400 HG11 VAL 54 HG11 VAL 54 3.517 -14.008 -55.211 401 HG12 VAL 54 HG12 VAL 54 4.624 -13.294 -54.039 402 HG13 VAL 54 HG13 VAL 54 3.173 -12.420 -54.526 403 HG21 VAL 54 HG21 VAL 54 0.974 -13.646 -54.222 404 HG22 VAL 54 HG22 VAL 54 0.802 -14.742 -52.851 405 HG23 VAL 54 HG23 VAL 54 1.524 -15.317 -54.354 406 H GLU 55 HN GLU 55 5.838 -15.118 -53.837 407 HA GLU 55 HA GLU 55 5.284 -16.377 -56.294 408 HB2 GLU 55 HB2 GLU 55 7.240 -14.866 -55.770 409 HB3 GLU 55 HB1 GLU 55 7.982 -16.233 -54.939 410 HG2 GLU 55 HG2 GLU 55 6.973 -16.554 -57.754 411 HG3 GLU 55 HG1 GLU 55 8.546 -15.815 -57.463 412 H VAL 56 HN VAL 56 6.886 -17.646 -53.365 413 HA VAL 56 HA VAL 56 7.164 -20.286 -54.432 414 HB VAL 56 HB VAL 56 8.633 -19.433 -52.645 415 HG11 VAL 56 HG11 VAL 56 6.202 -19.675 -50.851 416 HG12 VAL 56 HG12 VAL 56 6.810 -18.141 -51.475 417 HG13 VAL 56 HG13 VAL 56 7.810 -19.112 -50.396 418 HG21 VAL 56 HG21 VAL 56 8.681 -21.456 -51.350 419 HG22 VAL 56 HG22 VAL 56 8.102 -21.903 -52.955 420 HG23 VAL 56 HG23 VAL 56 6.962 -21.742 -51.619 421 H LEU 57 HN LEU 57 4.771 -18.680 -52.385 422 HA LEU 57 HA LEU 57 3.289 -20.812 -51.453 423 HB2 LEU 57 HB2 LEU 57 2.860 -17.997 -51.886 424 HB3 LEU 57 HB1 LEU 57 1.405 -18.901 -52.304 425 HG LEU 57 HG LEU 57 1.846 -20.170 -50.066 426 HD11 LEU 57 HD11 LEU 57 4.122 -19.045 -49.829 427 HD12 LEU 57 HD12 LEU 57 3.086 -18.972 -48.404 428 HD13 LEU 57 HD13 LEU 57 3.250 -17.560 -49.448 429 HD21 LEU 57 HD21 LEU 57 -0.039 -18.588 -50.548 430 HD22 LEU 57 HD22 LEU 57 0.983 -17.261 -49.995 431 HD23 LEU 57 HD23 LEU 57 0.498 -18.529 -48.869 432 H LYS 58 HN LYS 58 2.857 -19.168 -54.604 433 HA LYS 58 HA LYS 58 0.815 -20.921 -55.478 434 HB2 LYS 58 HB2 LYS 58 2.693 -19.083 -56.967 435 HB3 LYS 58 HB1 LYS 58 1.448 -20.030 -57.783 436 HG2 LYS 58 HG2 LYS 58 0.775 -18.267 -55.428 437 HG3 LYS 58 HG1 LYS 58 0.837 -17.619 -57.067 438 HD2 LYS 58 HD2 LYS 58 -0.778 -19.395 -57.778 439 HD3 LYS 58 HD1 LYS 58 -0.913 -19.894 -56.091 440 HE2 LYS 58 HE2 LYS 58 -1.479 -17.079 -57.054 441 HE3 LYS 58 HE1 LYS 58 -2.725 -18.309 -56.844 442 HZ1 LYS 58 HZ1 LYS 58 -2.167 -18.488 -54.533 443 HZ2 LYS 58 HZ2 LYS 58 -2.463 -16.855 -54.895 444 HZ3 LYS 58 HZ3 LYS 58 -0.869 -17.411 -54.709 445 H ARG 59 HN ARG 59 4.323 -20.941 -55.817 446 HA ARG 59 HA ARG 59 4.483 -23.119 -57.639 447 HB2 ARG 59 HB2 ARG 59 6.301 -21.421 -57.109 448 HB3 ARG 59 HB1 ARG 59 6.592 -22.332 -55.628 449 HG2 ARG 59 HG2 ARG 59 6.425 -24.019 -58.030 450 HG3 ARG 59 HG1 ARG 59 7.765 -22.872 -58.062 451 HD2 ARG 59 HD2 ARG 59 8.501 -23.663 -55.847 452 HD3 ARG 59 HD1 ARG 59 7.159 -24.801 -55.803 453 HE ARG 59 HE ARG 59 8.632 -25.257 -58.159 454 HH11 ARG 59 HH11 ARG 59 8.960 -25.522 -54.697 455 HH12 ARG 59 HH12 ARG 59 10.077 -26.839 -54.785 456 HH21 ARG 59 HH21 ARG 59 10.091 -26.980 -58.243 457 HH22 ARG 59 HH22 ARG 59 10.715 -27.661 -56.779 458 H GLU 60 HN GLU 60 3.952 -22.912 -54.225 459 HA GLU 60 HA GLU 60 4.481 -25.798 -53.908 460 HB2 GLU 60 HB2 GLU 60 4.216 -23.578 -51.875 461 HB3 GLU 60 HB1 GLU 60 4.388 -25.285 -51.462 462 HG2 GLU 60 HG2 GLU 60 6.358 -23.786 -53.207 463 HG3 GLU 60 HG1 GLU 60 6.557 -23.985 -51.467 464 HA PRO 61 HA PRO 61 -0.150 -25.440 -54.070 465 HB2 PRO 61 HB2 PRO 61 -0.507 -27.942 -55.173 466 HB3 PRO 61 HB1 PRO 61 -0.292 -26.456 -56.116 467 HG2 PRO 61 HG2 PRO 61 1.678 -28.580 -55.454 468 HG3 PRO 61 HG1 PRO 61 1.478 -27.646 -56.946 469 HD2 PRO 61 HD2 PRO 61 3.433 -27.103 -55.127 470 HD3 PRO 61 HD1 PRO 61 2.696 -25.847 -56.146 471 H LEU 62 HN LEU 62 2.095 -27.374 -52.433 472 HA LEU 62 HA LEU 62 0.519 -29.354 -51.232 473 HB2 LEU 62 HB2 LEU 62 3.030 -29.124 -51.078 474 HB3 LEU 62 HB1 LEU 62 2.772 -27.847 -49.889 475 HG LEU 62 HG LEU 62 1.260 -30.343 -49.404 476 HD11 LEU 62 HD11 LEU 62 3.294 -31.396 -50.118 477 HD12 LEU 62 HD12 LEU 62 3.336 -31.376 -48.355 478 HD13 LEU 62 HD13 LEU 62 4.281 -30.204 -49.273 479 HD21 LEU 62 HD21 LEU 62 2.189 -29.844 -47.080 480 HD22 LEU 62 HD22 LEU 62 1.157 -28.591 -47.769 481 HD23 LEU 62 HD23 LEU 62 2.909 -28.393 -47.778 482 H ASN 63 HN ASN 63 1.086 -25.975 -50.306 483 HA ASN 63 HA ASN 63 -0.520 -26.135 -47.933 484 HB2 ASN 63 HB2 ASN 63 -0.170 -23.778 -47.741 485 HB3 ASN 63 HB1 ASN 63 1.336 -24.467 -48.344 486 HD21 ASN 63 HD21 ASN 63 0.510 -21.694 -48.766 487 HD22 ASN 63 HD22 ASN 63 0.317 -21.485 -50.440 488 H TYR 64 HN TYR 64 -1.236 -25.866 -51.264 489 HA TYR 64 HA TYR 64 -3.673 -24.360 -51.036 490 HB2 TYR 64 HB2 TYR 64 -2.307 -24.579 -53.139 491 HB3 TYR 64 HB1 TYR 64 -2.857 -26.251 -53.248 492 HD1 TYR 64 HD1 TYR 64 -4.017 -22.715 -53.144 493 HD2 TYR 64 HD2 TYR 64 -5.035 -26.790 -54.042 494 HE1 TYR 64 HE1 TYR 64 -6.131 -21.955 -54.195 495 HE2 TYR 64 HE2 TYR 64 -7.149 -26.030 -55.093 496 HH TYR 64 HH TYR 64 -8.489 -23.108 -54.616 497 H LEU 65 HN LEU 65 -2.770 -27.730 -50.795 498 HA LEU 65 HA LEU 65 -5.400 -28.796 -51.085 499 HB2 LEU 65 HB2 LEU 65 -2.915 -29.937 -49.786 500 HB3 LEU 65 HB1 LEU 65 -4.392 -30.851 -50.087 501 HG LEU 65 HG LEU 65 -2.852 -29.410 -52.261 502 HD11 LEU 65 HD11 LEU 65 -2.057 -31.690 -52.892 503 HD12 LEU 65 HD12 LEU 65 -2.774 -32.321 -51.410 504 HD13 LEU 65 HD13 LEU 65 -1.440 -31.171 -51.324 505 HD21 LEU 65 HD21 LEU 65 -4.201 -31.078 -53.664 506 HD22 LEU 65 HD22 LEU 65 -5.124 -29.776 -52.915 507 HD23 LEU 65 HD23 LEU 65 -5.143 -31.390 -52.206 508 HA PRO 66 HA PRO 66 -7.337 -28.109 -47.193 509 HB2 PRO 66 HB2 PRO 66 -7.620 -31.059 -46.853 510 HB3 PRO 66 HB1 PRO 66 -8.863 -29.794 -46.816 511 HG2 PRO 66 HG2 PRO 66 -8.596 -31.418 -48.906 512 HG3 PRO 66 HG1 PRO 66 -9.042 -29.714 -49.103 513 HD2 PRO 66 HD2 PRO 66 -6.427 -31.052 -49.653 514 HD3 PRO 66 HD1 PRO 66 -7.185 -29.670 -50.474 515 H LEU 67 HN LEU 67 -6.697 -27.857 -45.090 516 HA LEU 67 HA LEU 67 -4.913 -29.749 -43.810 517 HB2 LEU 67 HB2 LEU 67 -3.734 -27.712 -45.280 518 HB3 LEU 67 HB1 LEU 67 -3.735 -27.087 -43.630 519 HG LEU 67 HG LEU 67 -2.819 -29.894 -44.269 520 HD11 LEU 67 HD11 LEU 67 -1.025 -27.474 -43.964 521 HD12 LEU 67 HD12 LEU 67 -1.508 -28.113 -45.536 522 HD13 LEU 67 HD13 LEU 67 -0.559 -29.109 -44.432 523 HD21 LEU 67 HD21 LEU 67 -3.294 -29.529 -41.939 524 HD22 LEU 67 HD22 LEU 67 -2.470 -27.969 -41.954 525 HD23 LEU 67 HD23 LEU 67 -1.540 -29.459 -42.112 Start of MODEL 12 1 H1 THR 1 HT1 THR 1 -2.406 -3.754 -2.836 2 H2 THR 1 HT2 THR 1 -3.306 -3.575 -1.406 3 H3 THR 1 HT3 THR 1 -3.059 -5.119 -2.071 4 HA THR 1 HA THR 1 -1.395 -5.292 -0.625 5 HB THR 1 HB THR 1 -0.515 -4.274 -3.078 6 HG1 THR 1 HG1 THR 1 1.480 -5.226 -2.336 7 HG21 THR 1 HG21 THR 1 1.380 -2.853 -2.559 8 HG22 THR 1 HG22 THR 1 1.036 -2.950 -0.834 9 HG23 THR 1 HG23 THR 1 -0.075 -2.100 -1.911 10 HA PRO 2 HA PRO 2 -1.396 -2.095 2.411 11 HB2 PRO 2 HB2 PRO 2 0.968 -2.490 3.708 12 HB3 PRO 2 HB1 PRO 2 -0.406 -3.604 3.844 13 HG2 PRO 2 HG2 PRO 2 2.072 -3.842 2.218 14 HG3 PRO 2 HG1 PRO 2 1.171 -5.089 3.097 15 HD2 PRO 2 HD2 PRO 2 0.994 -4.710 0.372 16 HD3 PRO 2 HD1 PRO 2 -0.289 -5.449 1.353 17 H ILE 3 HN ILE 3 -0.510 -0.050 3.035 18 HA ILE 3 HA ILE 3 0.518 1.540 1.016 19 HB ILE 3 HB ILE 3 -0.528 2.217 3.275 20 HG12 ILE 3 HG12 ILE 3 0.876 4.369 3.265 21 HG13 ILE 3 HG11 ILE 3 1.821 3.617 1.981 22 HG21 ILE 3 HG21 ILE 3 1.294 0.973 4.562 23 HG22 ILE 3 HG22 ILE 3 0.968 2.621 5.098 24 HG23 ILE 3 HG23 ILE 3 2.383 2.282 4.102 25 HD11 ILE 3 HD11 ILE 3 -1.191 3.846 1.835 26 HD12 ILE 3 HD12 ILE 3 -0.062 3.496 0.525 27 HD13 ILE 3 HD13 ILE 3 -0.121 5.111 1.230 28 H GLU 4 HN GLU 4 2.561 2.345 0.511 29 HA GLU 4 HA GLU 4 4.718 0.535 0.702 30 HB2 GLU 4 HB2 GLU 4 6.044 2.283 -0.349 31 HB3 GLU 4 HB1 GLU 4 4.452 2.221 -1.106 32 HG2 GLU 4 HG2 GLU 4 3.707 4.077 0.376 33 HG3 GLU 4 HG1 GLU 4 5.339 4.174 1.036 34 H SER 5 HN SER 5 6.758 0.802 1.761 35 HA SER 5 HA SER 5 6.482 1.712 4.488 36 HB2 SER 5 HB2 SER 5 8.654 0.736 4.835 37 HB3 SER 5 HB1 SER 5 7.734 -0.361 3.810 38 HG SER 5 HG SER 5 9.208 -0.089 2.351 39 H HIS 6 HN HIS 6 8.286 3.029 5.476 40 HA HIS 6 HA HIS 6 8.388 5.578 4.221 41 HB2 HIS 6 HB2 HIS 6 9.724 6.256 6.117 42 HB3 HIS 6 HB1 HIS 6 8.440 5.192 6.693 43 HD1 HIS 6 HD1 HIS 6 12.151 5.266 6.035 44 HD2 HIS 6 HD2 HIS 6 9.325 2.712 7.728 45 HE1 HIS 6 HE1 HIS 6 13.451 3.424 7.189 46 HE2 HIS 6 HE2 HIS 6 11.742 1.859 8.226 47 H GLN 7 HN GLN 7 10.436 2.788 4.091 48 HA GLN 7 HA GLN 7 12.893 3.989 3.422 49 HB2 GLN 7 HB2 GLN 7 12.628 1.594 4.005 50 HB3 GLN 7 HB1 GLN 7 11.799 1.331 2.470 51 HG2 GLN 7 HG2 GLN 7 13.792 2.078 1.244 52 HG3 GLN 7 HG1 GLN 7 14.625 2.390 2.767 53 HE21 GLN 7 HE21 GLN 7 16.253 0.764 2.616 54 HE22 GLN 7 HE22 GLN 7 15.899 -0.895 2.549 55 H VAL 8 HN VAL 8 13.702 4.818 1.575 56 HA VAL 8 HA VAL 8 12.150 4.523 -0.911 57 HB VAL 8 HB VAL 8 11.516 6.674 0.150 58 HG11 VAL 8 HG11 VAL 8 13.782 6.942 1.283 59 HG12 VAL 8 HG12 VAL 8 13.139 8.398 0.523 60 HG13 VAL 8 HG13 VAL 8 14.405 7.469 -0.281 61 HG21 VAL 8 HG21 VAL 8 11.708 6.340 -2.364 62 HG22 VAL 8 HG22 VAL 8 13.287 7.120 -2.267 63 HG23 VAL 8 HG23 VAL 8 11.833 8.014 -1.822 64 H GLU 9 HN GLU 9 13.365 4.525 -2.780 65 HA GLU 9 HA GLU 9 16.251 5.012 -2.566 66 HB2 GLU 9 HB2 GLU 9 16.356 2.801 -4.081 67 HB3 GLU 9 HB1 GLU 9 16.507 2.752 -2.326 68 HG2 GLU 9 HG2 GLU 9 14.875 1.080 -3.200 69 HG3 GLU 9 HG1 GLU 9 14.136 2.232 -2.092 70 H LYS 10 HN LYS 10 15.362 6.908 -3.778 71 HA LYS 10 HA LYS 10 14.186 6.765 -6.300 72 HB2 LYS 10 HB2 LYS 10 15.332 8.993 -6.691 73 HB3 LYS 10 HB1 LYS 10 14.353 8.894 -5.227 74 HG2 LYS 10 HG2 LYS 10 17.092 8.004 -4.764 75 HG3 LYS 10 HG1 LYS 10 17.030 9.664 -5.357 76 HD2 LYS 10 HD2 LYS 10 15.699 10.390 -3.555 77 HD3 LYS 10 HD1 LYS 10 15.195 8.749 -3.149 78 HE2 LYS 10 HE2 LYS 10 17.482 8.208 -2.425 79 HE3 LYS 10 HE1 LYS 10 18.013 9.833 -2.859 80 HZ1 LYS 10 HZ1 LYS 10 15.734 9.568 -1.043 81 HZ2 LYS 10 HZ2 LYS 10 16.943 10.760 -1.100 82 HZ3 LYS 10 HZ3 LYS 10 17.279 9.238 -0.425 83 H ARG 11 HN ARG 11 15.227 7.269 -8.405 84 HA ARG 11 HA ARG 11 17.983 6.328 -8.674 85 HB2 ARG 11 HB2 ARG 11 17.109 4.909 -10.696 86 HB3 ARG 11 HB1 ARG 11 17.050 4.241 -9.069 87 HG2 ARG 11 HG2 ARG 11 14.925 3.810 -10.139 88 HG3 ARG 11 HG1 ARG 11 14.657 5.033 -8.904 89 HD2 ARG 11 HD2 ARG 11 15.384 6.096 -11.564 90 HD3 ARG 11 HD1 ARG 11 13.841 5.254 -11.504 91 HE ARG 11 HE ARG 11 14.454 7.795 -10.291 92 HH11 ARG 11 HH11 ARG 11 12.465 4.936 -10.118 93 HH12 ARG 11 HH12 ARG 11 11.187 5.734 -9.270 94 HH21 ARG 11 HH21 ARG 11 12.768 8.811 -9.183 95 HH22 ARG 11 HH22 ARG 11 11.354 7.913 -8.743 96 H LYS 12 HN LYS 12 18.682 6.513 -11.046 97 HA LYS 12 HA LYS 12 18.281 9.194 -11.875 98 HB2 LYS 12 HB2 LYS 12 19.639 8.573 -13.830 99 HB3 LYS 12 HB1 LYS 12 20.357 7.962 -12.339 100 HG2 LYS 12 HG2 LYS 12 19.281 5.756 -12.756 101 HG3 LYS 12 HG1 LYS 12 18.663 6.374 -14.289 102 HD2 LYS 12 HD2 LYS 12 20.936 6.758 -15.096 103 HD3 LYS 12 HD1 LYS 12 21.599 6.252 -13.541 104 HE2 LYS 12 HE2 LYS 12 21.739 4.393 -15.116 105 HE3 LYS 12 HE1 LYS 12 20.554 4.010 -13.867 106 HZ1 LYS 12 HZ1 LYS 12 20.003 3.702 -16.392 107 HZ2 LYS 12 HZ2 LYS 12 19.632 5.357 -16.299 108 HZ3 LYS 12 HZ3 LYS 12 18.821 4.245 -15.304 109 H CYS 13 HN CYS 13 17.027 10.080 -13.448 110 HA CYS 13 HA CYS 13 14.613 8.808 -14.168 111 HB2 CYS 13 HB2 CYS 13 15.831 11.394 -14.502 112 HB3 CYS 13 HB1 CYS 13 15.104 10.882 -16.024 113 H ASN 14 HN ASN 14 15.140 6.814 -15.142 114 HA ASN 14 HA ASN 14 16.411 7.005 -17.798 115 HB2 ASN 14 HB2 ASN 14 16.660 4.507 -17.570 116 HB3 ASN 14 HB1 ASN 14 17.578 5.448 -16.396 117 HD21 ASN 14 HD21 ASN 14 17.384 4.639 -14.310 118 HD22 ASN 14 HD22 ASN 14 16.021 3.832 -13.699 119 H THR 15 HN THR 15 13.496 6.079 -16.098 120 HA THR 15 HA THR 15 12.179 4.493 -17.924 121 HB THR 15 HB THR 15 11.127 4.953 -15.829 122 HG1 THR 15 HG1 THR 15 9.781 4.767 -17.753 123 HG21 THR 15 HG21 THR 15 10.182 7.345 -15.489 124 HG22 THR 15 HG22 THR 15 11.367 7.830 -16.700 125 HG23 THR 15 HG23 THR 15 11.900 7.085 -15.194 126 H ALA 16 HN ALA 16 10.918 4.822 -19.736 127 HA ALA 16 HA ALA 16 11.721 6.846 -21.526 128 HB1 ALA 16 HB1 ALA 16 9.181 5.228 -21.722 129 HB2 ALA 16 HB2 ALA 16 10.773 4.571 -22.103 130 HB3 ALA 16 HB3 ALA 16 10.129 5.920 -23.038 131 H THR 17 HN THR 17 9.211 6.768 -19.117 132 HA THR 17 HA THR 17 7.550 8.793 -20.252 133 HB THR 17 HB THR 17 7.845 7.889 -17.378 134 HG1 THR 17 HG1 THR 17 6.101 7.162 -19.490 135 HG21 THR 17 HG21 THR 17 5.584 8.887 -17.126 136 HG22 THR 17 HG22 THR 17 5.696 9.508 -18.773 137 HG23 THR 17 HG23 THR 17 6.801 10.097 -17.532 138 H CYS 18 HN CYS 18 10.164 8.825 -17.849 139 HA CYS 18 HA CYS 18 10.006 11.566 -17.200 140 HB2 CYS 18 HB2 CYS 18 11.291 9.788 -15.945 141 HB3 CYS 18 HB1 CYS 18 12.518 9.883 -17.208 142 H ALA 19 HN ALA 19 11.916 9.824 -19.635 143 HA ALA 19 HA ALA 19 13.337 12.069 -20.602 144 HB1 ALA 19 HB1 ALA 19 13.701 9.516 -21.025 145 HB2 ALA 19 HB2 ALA 19 14.102 10.667 -22.300 146 HB3 ALA 19 HB3 ALA 19 12.590 9.763 -22.372 147 H THR 20 HN THR 20 10.214 10.664 -21.471 148 HA THR 20 HA THR 20 9.633 11.930 -23.836 149 HB THR 20 HB THR 20 7.753 11.490 -21.507 150 HG1 THR 20 HG1 THR 20 7.984 9.497 -22.056 151 HG21 THR 20 HG21 THR 20 7.298 12.085 -24.437 152 HG22 THR 20 HG22 THR 20 6.706 12.995 -23.047 153 HG23 THR 20 HG23 THR 20 6.054 11.393 -23.395 154 H GLN 21 HN GLN 21 9.318 13.290 -20.560 155 HA GLN 21 HA GLN 21 8.244 15.780 -21.476 156 HB2 GLN 21 HB2 GLN 21 8.093 16.339 -19.268 157 HB3 GLN 21 HB1 GLN 21 8.296 14.600 -19.065 158 HG2 GLN 21 HG2 GLN 21 10.814 15.052 -18.974 159 HG3 GLN 21 HG1 GLN 21 10.399 16.757 -18.812 160 HE21 GLN 21 HE21 GLN 21 11.146 14.086 -16.974 161 HE22 GLN 21 HE22 GLN 21 10.334 14.501 -15.543 162 H ARG 22 HN ARG 22 11.458 14.502 -21.075 163 HA ARG 22 HA ARG 22 12.805 17.031 -21.040 164 HB2 ARG 22 HB2 ARG 22 13.908 15.090 -20.107 165 HB3 ARG 22 HB1 ARG 22 13.783 14.229 -21.639 166 HG2 ARG 22 HG2 ARG 22 16.050 15.169 -21.310 167 HG3 ARG 22 HG1 ARG 22 15.257 15.888 -22.710 168 HD2 ARG 22 HD2 ARG 22 16.404 17.563 -21.233 169 HD3 ARG 22 HD1 ARG 22 14.684 17.870 -21.444 170 HE ARG 22 HE ARG 22 14.374 17.419 -19.185 171 HH11 ARG 22 HH11 ARG 22 17.521 16.328 -20.219 172 HH12 ARG 22 HH12 ARG 22 18.059 15.982 -18.613 173 HH21 ARG 22 HH21 ARG 22 15.105 16.960 -17.098 174 HH22 ARG 22 HH22 ARG 22 16.702 16.336 -16.855 175 H LEU 23 HN LEU 23 12.291 14.558 -23.546 176 HA LEU 23 HA LEU 23 13.517 16.132 -25.605 177 HB2 LEU 23 HB2 LEU 23 12.693 14.422 -27.146 178 HB3 LEU 23 HB1 LEU 23 13.434 13.671 -25.734 179 HG LEU 23 HG LEU 23 10.835 13.920 -24.908 180 HD11 LEU 23 HD11 LEU 23 10.304 14.705 -27.281 181 HD12 LEU 23 HD12 LEU 23 9.358 13.334 -26.701 182 HD13 LEU 23 HD13 LEU 23 10.702 13.071 -27.811 183 HD21 LEU 23 HD21 LEU 23 10.681 11.464 -25.596 184 HD22 LEU 23 HD22 LEU 23 12.086 11.896 -24.622 185 HD23 LEU 23 HD23 LEU 23 12.255 11.676 -26.363 186 H ALA 24 HN ALA 24 10.236 15.697 -24.424 187 HA ALA 24 HA ALA 24 8.818 16.828 -26.557 188 HB1 ALA 24 HB1 ALA 24 8.240 16.932 -23.587 189 HB2 ALA 24 HB2 ALA 24 7.673 15.711 -24.726 190 HB3 ALA 24 HB3 ALA 24 7.089 17.371 -24.849 191 H ASN 25 HN ASN 25 10.263 18.377 -23.695 192 HA ASN 25 HA ASN 25 9.436 21.004 -24.258 193 HB2 ASN 25 HB2 ASN 25 10.380 20.287 -22.088 194 HB3 ASN 25 HB1 ASN 25 11.959 20.102 -22.850 195 HD21 ASN 25 HD21 ASN 25 13.268 21.891 -22.496 196 HD22 ASN 25 HD22 ASN 25 12.717 23.491 -22.357 197 H PHE 26 HN PHE 26 12.328 19.200 -25.233 198 HA PHE 26 HA PHE 26 13.675 21.336 -26.492 199 HB2 PHE 26 HB2 PHE 26 14.762 19.198 -25.908 200 HB3 PHE 26 HB1 PHE 26 13.806 18.382 -27.145 201 HD1 PHE 26 HD1 PHE 26 16.317 21.086 -26.610 202 HD2 PHE 26 HD2 PHE 26 14.455 18.430 -29.426 203 HE1 PHE 26 HE1 PHE 26 17.979 21.743 -28.329 204 HE2 PHE 26 HE2 PHE 26 16.117 19.087 -31.145 205 HZ PHE 26 HZ PHE 26 17.880 20.744 -30.597 206 H LEU 27 HN LEU 27 11.272 19.023 -27.672 207 HA LEU 27 HA LEU 27 11.415 19.523 -30.401 208 HB2 LEU 27 HB2 LEU 27 10.055 17.730 -29.471 209 HB3 LEU 27 HB1 LEU 27 9.015 18.889 -28.661 210 HG LEU 27 HG LEU 27 8.262 17.789 -30.925 211 HD11 LEU 27 HD11 LEU 27 7.927 20.780 -30.830 212 HD12 LEU 27 HD12 LEU 27 7.240 19.766 -29.562 213 HD13 LEU 27 HD13 LEU 27 6.749 19.536 -31.238 214 HD21 LEU 27 HD21 LEU 27 10.463 18.604 -32.022 215 HD22 LEU 27 HD22 LEU 27 9.686 20.185 -32.080 216 HD23 LEU 27 HD23 LEU 27 8.963 18.818 -32.924 217 H VAL 28 HN VAL 28 9.077 20.983 -28.125 218 HA VAL 28 HA VAL 28 8.181 22.971 -29.906 219 HB VAL 28 HB VAL 28 7.175 24.019 -27.929 220 HG11 VAL 28 HG11 VAL 28 6.260 21.887 -28.988 221 HG12 VAL 28 HG12 VAL 28 5.751 22.192 -27.327 222 HG13 VAL 28 HG13 VAL 28 7.016 21.009 -27.658 223 HG21 VAL 28 HG21 VAL 28 8.799 21.972 -26.383 224 HG22 VAL 28 HG22 VAL 28 7.613 23.079 -25.693 225 HG23 VAL 28 HG23 VAL 28 9.101 23.709 -26.399 226 H HIS 29 HN HIS 29 11.054 22.736 -28.030 227 HA HIS 29 HA HIS 29 11.529 25.604 -27.941 228 HB2 HIS 29 HB2 HIS 29 12.278 24.190 -26.075 229 HB3 HIS 29 HB1 HIS 29 13.319 23.288 -27.176 230 HD1 HIS 29 HD1 HIS 29 12.808 26.905 -26.065 231 HD2 HIS 29 HD2 HIS 29 15.844 24.386 -27.416 232 HE1 HIS 29 HE1 HIS 29 14.953 28.248 -25.959 233 HE2 HIS 29 HE2 HIS 29 16.813 26.726 -26.780 234 H SER 30 HN SER 30 12.168 22.968 -30.076 235 HA SER 30 HA SER 30 14.447 24.232 -31.356 236 HB2 SER 30 HB2 SER 30 13.971 21.691 -31.092 237 HB3 SER 30 HB1 SER 30 12.905 21.913 -32.477 238 HG SER 30 HG SER 30 14.753 22.905 -33.526 239 H SER 31 HN SER 31 11.580 25.414 -31.311 240 HA SER 31 HA SER 31 10.529 25.348 -33.917 241 HB2 SER 31 HB2 SER 31 9.267 26.207 -32.003 242 HB3 SER 31 HB1 SER 31 10.391 27.554 -31.850 243 HG SER 31 HG SER 31 8.432 27.997 -33.067 244 H ASN 32 HN ASN 32 12.953 27.375 -32.385 245 HA ASN 32 HA ASN 32 13.260 29.205 -34.569 246 HB2 ASN 32 HB2 ASN 32 15.391 29.820 -33.335 247 HB3 ASN 32 HB1 ASN 32 13.895 29.994 -32.418 248 HD21 ASN 32 HD21 ASN 32 17.009 28.723 -32.225 249 HD22 ASN 32 HD22 ASN 32 16.746 27.594 -30.985 250 H ASN 33 HN ASN 33 15.272 26.523 -33.360 251 HA ASN 33 HA ASN 33 17.228 26.639 -35.391 252 HB2 ASN 33 HB2 ASN 33 16.293 24.384 -33.615 253 HB3 ASN 33 HB1 ASN 33 17.646 24.228 -34.734 254 HD21 ASN 33 HD21 ASN 33 17.994 24.023 -31.883 255 HD22 ASN 33 HD22 ASN 33 18.924 25.349 -31.374 256 H PHE 34 HN PHE 34 14.239 24.726 -35.160 257 HA PHE 34 HA PHE 34 14.437 23.084 -37.321 258 HB2 PHE 34 HB2 PHE 34 12.505 23.153 -35.792 259 HB3 PHE 34 HB1 PHE 34 11.973 24.656 -36.545 260 HD1 PHE 34 HD1 PHE 34 13.110 21.236 -37.613 261 HD2 PHE 34 HD2 PHE 34 10.350 24.474 -38.203 262 HE1 PHE 34 HE1 PHE 34 11.970 19.940 -39.393 263 HE2 PHE 34 HE2 PHE 34 9.212 23.179 -39.984 264 HZ PHE 34 HZ PHE 34 10.021 20.912 -40.580 265 H GLY 35 HN GLY 35 13.030 26.377 -37.482 266 HA2 GLY 35 HA2 GLY 35 12.766 26.393 -40.287 267 HA3 GLY 35 HA1 GLY 35 12.754 27.817 -39.271 268 H ALA 36 HN ALA 36 15.373 27.401 -38.152 269 HA ALA 36 HA ALA 36 16.952 28.790 -40.040 270 HB1 ALA 36 HB1 ALA 36 18.824 28.371 -38.468 271 HB2 ALA 36 HB2 ALA 36 17.799 27.249 -37.575 272 HB3 ALA 36 HB3 ALA 36 17.382 28.961 -37.643 273 H ILE 37 HN ILE 37 16.844 25.360 -39.151 274 HA ILE 37 HA ILE 37 19.036 24.637 -40.858 275 HB ILE 37 HB ILE 37 16.900 23.014 -39.466 276 HG12 ILE 37 HG12 ILE 37 19.889 23.148 -38.994 277 HG13 ILE 37 HG11 ILE 37 18.744 24.189 -38.149 278 HG21 ILE 37 HG21 ILE 37 18.422 21.068 -40.069 279 HG22 ILE 37 HG22 ILE 37 19.217 22.149 -41.213 280 HG23 ILE 37 HG23 ILE 37 17.511 21.751 -41.416 281 HD11 ILE 37 HD11 ILE 37 18.897 21.168 -38.069 282 HD12 ILE 37 HD12 ILE 37 17.515 22.073 -37.453 283 HD13 ILE 37 HD13 ILE 37 19.107 22.293 -36.727 284 H LEU 38 HN LEU 38 15.502 24.493 -41.120 285 HA LEU 38 HA LEU 38 15.349 23.141 -43.572 286 HB2 LEU 38 HB2 LEU 38 13.391 23.519 -42.148 287 HB3 LEU 38 HB1 LEU 38 13.496 25.254 -42.441 288 HG LEU 38 HG LEU 38 13.162 24.841 -44.872 289 HD11 LEU 38 HD11 LEU 38 14.027 22.616 -45.123 290 HD12 LEU 38 HD12 LEU 38 12.301 22.522 -45.472 291 HD13 LEU 38 HD13 LEU 38 12.915 21.980 -43.910 292 HD21 LEU 38 HD21 LEU 38 11.197 25.376 -43.592 293 HD22 LEU 38 HD22 LEU 38 11.101 23.738 -42.945 294 HD23 LEU 38 HD23 LEU 38 10.762 24.034 -44.651 295 H SER 39 HN SER 39 15.356 26.612 -42.868 296 HA SER 39 HA SER 39 15.182 27.669 -45.408 297 HB2 SER 39 HB2 SER 39 16.858 28.672 -43.099 298 HB3 SER 39 HB1 SER 39 16.441 29.615 -44.527 299 HG SER 39 HG SER 39 14.864 30.092 -43.113 300 H SER 40 HN SER 40 17.871 26.031 -43.920 301 HA SER 40 HA SER 40 19.720 26.847 -46.036 302 HB2 SER 40 HB2 SER 40 20.063 25.159 -43.553 303 HB3 SER 40 HB1 SER 40 21.344 25.426 -44.732 304 HG SER 40 HG SER 40 20.586 26.997 -42.738 305 H THR 41 HN THR 41 17.355 25.185 -46.626 306 HA THR 41 HA THR 41 17.997 22.478 -46.972 307 HB THR 41 HB THR 41 15.718 23.374 -47.221 308 HG1 THR 41 HG1 THR 41 16.608 22.261 -49.664 309 HG21 THR 41 HG21 THR 41 15.119 24.562 -49.308 310 HG22 THR 41 HG22 THR 41 16.819 24.576 -49.777 311 HG23 THR 41 HG23 THR 41 16.288 25.475 -48.356 312 H ASN 42 HN ASN 42 19.173 25.266 -48.612 313 HA ASN 42 HA ASN 42 19.914 23.875 -51.040 314 HB2 ASN 42 HB2 ASN 42 20.890 25.963 -51.721 315 HB3 ASN 42 HB1 ASN 42 19.343 26.318 -50.954 316 HD21 ASN 42 HD21 ASN 42 21.327 28.333 -51.072 317 HD22 ASN 42 HD22 ASN 42 21.922 28.615 -49.507 318 H VAL 43 HN VAL 43 21.044 23.422 -48.067 319 HA VAL 43 HA VAL 43 23.894 23.654 -48.627 320 HB VAL 43 HB VAL 43 22.758 24.126 -46.365 321 HG11 VAL 43 HG11 VAL 43 23.013 21.127 -46.068 322 HG12 VAL 43 HG12 VAL 43 21.486 21.904 -46.482 323 HG13 VAL 43 HG13 VAL 43 22.275 22.273 -44.950 324 HG21 VAL 43 HG21 VAL 43 25.043 22.143 -46.269 325 HG22 VAL 43 HG22 VAL 43 24.744 23.509 -45.196 326 HG23 VAL 43 HG23 VAL 43 25.256 23.791 -46.860 327 H GLY 44 HN GLY 44 21.921 21.693 -49.983 328 HA2 GLY 44 HA2 GLY 44 23.076 19.736 -51.045 329 HA3 GLY 44 HA1 GLY 44 23.442 19.221 -49.402 330 H SER 45 HN SER 45 20.674 20.316 -48.631 331 HA SER 45 HA SER 45 19.228 17.850 -49.308 332 HB2 SER 45 HB2 SER 45 17.729 18.509 -47.442 333 HB3 SER 45 HB1 SER 45 19.408 18.352 -46.932 334 HG SER 45 HG SER 45 19.054 20.306 -46.203 335 H ASN 46 HN ASN 46 19.511 19.965 -51.266 336 HA ASN 46 HA ASN 46 16.979 21.372 -51.359 337 HB2 ASN 46 HB2 ASN 46 17.806 22.363 -53.381 338 HB3 ASN 46 HB1 ASN 46 19.138 22.322 -52.227 339 HD21 ASN 46 HD21 ASN 46 19.663 22.450 -55.023 340 HD22 ASN 46 HD22 ASN 46 20.354 20.978 -55.512 341 H THR 47 HN THR 47 17.492 18.234 -51.711 342 HA THR 47 HA THR 47 16.095 17.860 -54.255 343 HB THR 47 HB THR 47 16.828 15.621 -52.400 344 HG1 THR 47 HG1 THR 47 18.559 17.140 -54.049 345 HG21 THR 47 HG21 THR 47 15.649 14.987 -54.384 346 HG22 THR 47 HG22 THR 47 17.343 14.587 -54.666 347 HG23 THR 47 HG23 THR 47 16.646 16.037 -55.390 348 H TYR 48 HN TYR 48 14.791 19.102 -51.904 349 HA TYR 48 HA TYR 48 12.775 17.068 -51.223 350 HB2 TYR 48 HB2 TYR 48 12.198 18.394 -49.358 351 HB3 TYR 48 HB1 TYR 48 13.956 18.492 -49.441 352 HD1 TYR 48 HD1 TYR 48 10.903 20.357 -49.384 353 HD2 TYR 48 HD2 TYR 48 14.968 20.485 -50.766 354 HE1 TYR 48 HE1 TYR 48 10.756 22.824 -49.587 355 HE2 TYR 48 HE2 TYR 48 14.821 22.951 -50.970 356 HH TYR 48 HH TYR 48 12.860 24.652 -51.322 357 H GLY 49 HN GLY 49 13.074 18.707 -53.810 358 HA2 GLY 49 HA2 GLY 49 11.134 20.646 -54.099 359 HA3 GLY 49 HA1 GLY 49 11.584 19.516 -55.372 360 H LYS 50 HN LYS 50 8.990 20.687 -53.892 361 HA LYS 50 HA LYS 50 7.506 18.351 -53.182 362 HB2 LYS 50 HB2 LYS 50 6.651 21.168 -53.870 363 HB3 LYS 50 HB1 LYS 50 5.541 19.915 -53.314 364 HG2 LYS 50 HG2 LYS 50 7.006 19.628 -51.282 365 HG3 LYS 50 HG1 LYS 50 7.918 21.042 -51.811 366 HD2 LYS 50 HD2 LYS 50 4.923 21.071 -51.365 367 HD3 LYS 50 HD1 LYS 50 6.091 21.538 -50.129 368 HE2 LYS 50 HE2 LYS 50 5.816 22.811 -52.869 369 HE3 LYS 50 HE1 LYS 50 5.276 23.519 -51.347 370 HZ1 LYS 50 HZ1 LYS 50 7.656 23.249 -50.593 371 HZ2 LYS 50 HZ2 LYS 50 7.369 24.446 -51.765 372 HZ3 LYS 50 HZ3 LYS 50 8.047 22.955 -52.217 373 H ARG 51 HN ARG 51 8.168 20.011 -56.162 374 HA ARG 51 HA ARG 51 5.975 19.021 -57.679 375 HB2 ARG 51 HB2 ARG 51 7.162 19.811 -59.599 376 HB3 ARG 51 HB1 ARG 51 7.466 20.963 -58.300 377 HG2 ARG 51 HG2 ARG 51 9.605 19.731 -57.803 378 HG3 ARG 51 HG1 ARG 51 9.318 18.759 -59.247 379 HD2 ARG 51 HD2 ARG 51 9.254 20.840 -60.603 380 HD3 ARG 51 HD1 ARG 51 9.627 21.773 -59.157 381 HE ARG 51 HE ARG 51 11.472 20.164 -60.702 382 HH11 ARG 51 HH11 ARG 51 10.774 21.594 -57.597 383 HH12 ARG 51 HH12 ARG 51 12.433 21.628 -57.109 384 HH21 ARG 51 HH21 ARG 51 13.629 20.225 -60.037 385 HH22 ARG 51 HH22 ARG 51 14.040 20.858 -58.479 386 H ASN 52 HN ASN 52 8.875 17.555 -56.539 387 HA ASN 52 HA ASN 52 9.097 15.554 -58.585 388 HB2 ASN 52 HB2 ASN 52 10.813 16.422 -56.722 389 HB3 ASN 52 HB1 ASN 52 10.153 15.039 -55.852 390 HD21 ASN 52 HD21 ASN 52 9.689 13.317 -58.129 391 HD22 ASN 52 HD22 ASN 52 11.203 12.884 -58.763 392 H ALA 53 HN ALA 53 7.362 15.852 -55.559 393 HA ALA 53 HA ALA 53 6.758 13.157 -55.081 394 HB1 ALA 53 HB1 ALA 53 4.620 14.221 -54.028 395 HB2 ALA 53 HB2 ALA 53 5.414 15.751 -54.400 396 HB3 ALA 53 HB3 ALA 53 6.198 14.588 -53.331 397 H VAL 54 HN VAL 54 5.132 15.557 -57.128 398 HA VAL 54 HA VAL 54 2.951 13.832 -57.811 399 HB VAL 54 HB VAL 54 3.278 16.480 -58.009 400 HG11 VAL 54 HG11 VAL 54 3.689 15.549 -60.860 401 HG12 VAL 54 HG12 VAL 54 5.018 16.093 -59.838 402 HG13 VAL 54 HG13 VAL 54 3.712 17.201 -60.245 403 HG21 VAL 54 HG21 VAL 54 1.274 16.496 -59.373 404 HG22 VAL 54 HG22 VAL 54 1.190 15.102 -58.295 405 HG23 VAL 54 HG23 VAL 54 1.629 14.882 -59.989 406 H GLU 55 HN GLU 55 6.159 14.367 -59.127 407 HA GLU 55 HA GLU 55 5.774 13.241 -61.678 408 HB2 GLU 55 HB2 GLU 55 8.201 13.384 -59.885 409 HB3 GLU 55 HB1 GLU 55 8.255 12.742 -61.527 410 HG2 GLU 55 HG2 GLU 55 7.236 15.504 -60.808 411 HG3 GLU 55 HG1 GLU 55 8.861 15.168 -61.404 412 H VAL 56 HN VAL 56 6.918 11.714 -58.660 413 HA VAL 56 HA VAL 56 6.982 9.092 -59.796 414 HB VAL 56 HB VAL 56 8.367 9.666 -57.856 415 HG11 VAL 56 HG11 VAL 56 5.793 9.742 -56.263 416 HG12 VAL 56 HG12 VAL 56 6.633 11.191 -56.814 417 HG13 VAL 56 HG13 VAL 56 7.422 10.092 -55.686 418 HG21 VAL 56 HG21 VAL 56 8.000 7.640 -56.619 419 HG22 VAL 56 HG22 VAL 56 7.514 7.309 -58.282 420 HG23 VAL 56 HG23 VAL 56 6.290 7.616 -57.049 421 H LEU 57 HN LEU 57 4.628 10.855 -57.806 422 HA LEU 57 HA LEU 57 2.815 8.851 -57.234 423 HB2 LEU 57 HB2 LEU 57 2.761 11.752 -57.422 424 HB3 LEU 57 HB1 LEU 57 1.224 11.036 -57.906 425 HG LEU 57 HG LEU 57 1.486 9.573 -55.773 426 HD11 LEU 57 HD11 LEU 57 3.890 10.382 -55.462 427 HD12 LEU 57 HD12 LEU 57 2.865 10.454 -54.029 428 HD13 LEU 57 HD13 LEU 57 3.205 11.923 -54.944 429 HD21 LEU 57 HD21 LEU 57 -0.134 11.498 -56.178 430 HD22 LEU 57 HD22 LEU 57 1.033 12.541 -55.365 431 HD23 LEU 57 HD23 LEU 57 0.282 11.207 -54.488 432 H LYS 58 HN LYS 58 2.880 10.884 -60.177 433 HA LYS 58 HA LYS 58 0.719 9.501 -61.408 434 HB2 LYS 58 HB2 LYS 58 2.861 11.329 -62.503 435 HB3 LYS 58 HB1 LYS 58 1.579 10.648 -63.505 436 HG2 LYS 58 HG2 LYS 58 0.949 12.128 -60.952 437 HG3 LYS 58 HG1 LYS 58 1.168 12.985 -62.478 438 HD2 LYS 58 HD2 LYS 58 -0.576 11.514 -63.502 439 HD3 LYS 58 HD1 LYS 58 -0.851 10.794 -61.916 440 HE2 LYS 58 HE2 LYS 58 -1.095 13.759 -62.489 441 HE3 LYS 58 HE1 LYS 58 -2.460 12.642 -62.471 442 HZ1 LYS 58 HZ1 LYS 58 -2.464 13.397 -60.325 443 HZ2 LYS 58 HZ2 LYS 58 -0.774 13.556 -60.247 444 HZ3 LYS 58 HZ3 LYS 58 -1.491 12.018 -60.157 445 H ARG 59 HN ARG 59 4.156 8.993 -61.249 446 HA ARG 59 HA ARG 59 4.512 7.323 -63.486 447 HB2 ARG 59 HB2 ARG 59 6.291 8.352 -61.946 448 HB3 ARG 59 HB1 ARG 59 5.986 6.981 -60.880 449 HG2 ARG 59 HG2 ARG 59 6.338 6.233 -63.704 450 HG3 ARG 59 HG1 ARG 59 7.768 6.966 -62.976 451 HD2 ARG 59 HD2 ARG 59 7.604 5.361 -61.089 452 HD3 ARG 59 HD1 ARG 59 6.219 4.605 -61.872 453 HE ARG 59 HE ARG 59 8.219 4.555 -63.767 454 HH11 ARG 59 HH11 ARG 59 7.831 3.419 -60.493 455 HH12 ARG 59 HH12 ARG 59 8.898 2.075 -60.708 456 HH21 ARG 59 HH21 ARG 59 9.606 2.791 -64.020 457 HH22 ARG 59 HH22 ARG 59 9.898 1.719 -62.691 458 H GLU 60 HN GLU 60 3.064 6.757 -60.379 459 HA GLU 60 HA GLU 60 2.763 3.893 -61.062 460 HB2 GLU 60 HB2 GLU 60 2.879 5.201 -58.335 461 HB3 GLU 60 HB1 GLU 60 2.552 3.492 -58.625 462 HG2 GLU 60 HG2 GLU 60 5.049 4.904 -59.596 463 HG3 GLU 60 HG1 GLU 60 4.963 4.010 -58.079 464 HA PRO 61 HA PRO 61 -1.419 5.939 -61.088 465 HB2 PRO 61 HB2 PRO 61 -2.330 4.508 -63.258 466 HB3 PRO 61 HB1 PRO 61 -1.504 6.073 -63.374 467 HG2 PRO 61 HG2 PRO 61 -0.436 3.333 -63.801 468 HG3 PRO 61 HG1 PRO 61 -0.074 4.836 -64.665 469 HD2 PRO 61 HD2 PRO 61 1.603 3.772 -62.791 470 HD3 PRO 61 HD1 PRO 61 1.490 5.519 -63.101 471 H LEU 62 HN LEU 62 -0.171 2.827 -60.601 472 HA LEU 62 HA LEU 62 -2.566 1.308 -60.430 473 HB2 LEU 62 HB2 LEU 62 -0.124 0.472 -60.525 474 HB3 LEU 62 HB1 LEU 62 -0.096 0.776 -58.788 475 HG LEU 62 HG LEU 62 -2.454 -0.715 -59.785 476 HD11 LEU 62 HD11 LEU 62 -0.715 -1.750 -61.152 477 HD12 LEU 62 HD12 LEU 62 -1.160 -2.850 -59.847 478 HD13 LEU 62 HD13 LEU 62 0.332 -1.915 -59.742 479 HD21 LEU 62 HD21 LEU 62 -0.522 -1.299 -57.524 480 HD22 LEU 62 HD22 LEU 62 -2.179 -1.878 -57.696 481 HD23 LEU 62 HD23 LEU 62 -1.871 -0.173 -57.369 482 H ASN 63 HN ASN 63 -0.781 3.312 -58.142 483 HA ASN 63 HA ASN 63 -2.545 2.623 -55.934 484 HB2 ASN 63 HB2 ASN 63 -1.200 4.436 -54.767 485 HB3 ASN 63 HB1 ASN 63 -0.285 3.034 -55.315 486 HD21 ASN 63 HD21 ASN 63 -1.184 6.363 -56.348 487 HD22 ASN 63 HD22 ASN 63 0.232 6.620 -57.249 488 H TYR 64 HN TYR 64 -2.289 5.046 -58.405 489 HA TYR 64 HA TYR 64 -4.059 6.919 -57.060 490 HB2 TYR 64 HB2 TYR 64 -2.289 7.795 -58.495 491 HB3 TYR 64 HB1 TYR 64 -2.929 6.892 -59.868 492 HD1 TYR 64 HD1 TYR 64 -3.784 9.543 -57.385 493 HD2 TYR 64 HD2 TYR 64 -4.692 7.762 -61.187 494 HE1 TYR 64 HE1 TYR 64 -5.348 11.402 -57.883 495 HE2 TYR 64 HE2 TYR 64 -6.256 9.621 -61.685 496 HH TYR 64 HH TYR 64 -7.487 11.633 -59.452 497 H LEU 65 HN LEU 65 -4.289 4.285 -59.305 498 HA LEU 65 HA LEU 65 -6.955 5.025 -60.197 499 HB2 LEU 65 HB2 LEU 65 -5.146 2.673 -60.756 500 HB3 LEU 65 HB1 LEU 65 -6.802 2.754 -61.355 501 HG LEU 65 HG LEU 65 -4.807 4.974 -61.833 502 HD11 LEU 65 HD11 LEU 65 -4.621 3.944 -64.147 503 HD12 LEU 65 HD12 LEU 65 -5.389 2.501 -63.482 504 HD13 LEU 65 HD13 LEU 65 -3.826 3.034 -62.862 505 HD21 LEU 65 HD21 LEU 65 -6.418 5.338 -63.787 506 HD22 LEU 65 HD22 LEU 65 -7.071 5.675 -62.185 507 HD23 LEU 65 HD23 LEU 65 -7.481 4.169 -63.005 508 HA PRO 66 HA PRO 66 -9.418 2.904 -57.232 509 HB2 PRO 66 HB2 PRO 66 -10.576 1.242 -59.422 510 HB3 PRO 66 HB1 PRO 66 -11.396 2.265 -58.227 511 HG2 PRO 66 HG2 PRO 66 -11.146 3.023 -60.764 512 HG3 PRO 66 HG1 PRO 66 -11.047 4.186 -59.431 513 HD2 PRO 66 HD2 PRO 66 -8.852 3.079 -61.130 514 HD3 PRO 66 HD1 PRO 66 -9.001 4.683 -60.377 515 H LEU 67 HN LEU 67 -9.230 1.131 -55.919 516 HA LEU 67 HA LEU 67 -7.831 -1.235 -57.011 517 HB2 LEU 67 HB2 LEU 67 -7.319 0.329 -54.501 518 HB3 LEU 67 HB1 LEU 67 -6.939 -1.392 -54.559 519 HG LEU 67 HG LEU 67 -6.004 0.451 -56.750 520 HD11 LEU 67 HD11 LEU 67 -4.597 -0.119 -54.122 521 HD12 LEU 67 HD12 LEU 67 -5.225 1.446 -54.639 522 HD13 LEU 67 HD13 LEU 67 -3.877 0.708 -55.504 523 HD21 LEU 67 HD21 LEU 67 -5.915 -2.085 -56.914 524 HD22 LEU 67 HD22 LEU 67 -4.773 -2.055 -55.571 525 HD23 LEU 67 HD23 LEU 67 -4.360 -1.274 -57.097 Start of MODEL 13 1 H1 THR 1 HT1 THR 1 -2.984 -4.124 -1.228 2 H2 THR 1 HT2 THR 1 -2.901 -2.599 -0.483 3 H3 THR 1 HT3 THR 1 -3.877 -3.820 0.182 4 HA THR 1 HA THR 1 -2.160 -4.921 1.121 5 HB THR 1 HB THR 1 -1.073 -4.590 -1.434 6 HG1 THR 1 HG1 THR 1 -0.954 -6.469 -0.256 7 HG21 THR 1 HG21 THR 1 1.210 -3.847 -1.093 8 HG22 THR 1 HG22 THR 1 0.919 -3.601 0.627 9 HG23 THR 1 HG23 THR 1 0.123 -2.566 -0.562 10 HA PRO 2 HA PRO 2 -0.947 -1.562 3.708 11 HB2 PRO 2 HB2 PRO 2 1.163 -2.593 5.087 12 HB3 PRO 2 HB1 PRO 2 -0.509 -3.132 5.339 13 HG2 PRO 2 HG2 PRO 2 1.685 -4.422 3.803 14 HG3 PRO 2 HG1 PRO 2 0.431 -5.155 4.817 15 HD2 PRO 2 HD2 PRO 2 0.326 -5.079 2.060 16 HD3 PRO 2 HD1 PRO 2 -1.106 -5.205 3.103 17 H ILE 3 HN ILE 3 0.579 0.130 4.019 18 HA ILE 3 HA ILE 3 2.132 0.838 1.798 19 HB ILE 3 HB ILE 3 1.250 2.423 3.518 20 HG12 ILE 3 HG12 ILE 3 3.381 3.810 3.609 21 HG13 ILE 3 HG11 ILE 3 4.212 2.439 2.875 22 HG21 ILE 3 HG21 ILE 3 1.953 0.986 5.469 23 HG22 ILE 3 HG22 ILE 3 2.418 2.680 5.620 24 HG23 ILE 3 HG23 ILE 3 3.618 1.474 5.155 25 HD11 ILE 3 HD11 ILE 3 1.740 3.675 1.646 26 HD12 ILE 3 HD12 ILE 3 2.893 2.574 0.891 27 HD13 ILE 3 HD13 ILE 3 3.368 4.232 1.258 28 H GLU 4 HN GLU 4 4.218 0.519 1.235 29 HA GLU 4 HA GLU 4 5.691 -1.596 2.417 30 HB2 GLU 4 HB2 GLU 4 7.449 -0.999 0.842 31 HB3 GLU 4 HB1 GLU 4 5.884 -0.927 0.032 32 HG2 GLU 4 HG2 GLU 4 5.818 1.527 0.438 33 HG3 GLU 4 HG1 GLU 4 7.424 1.429 1.158 34 H SER 5 HN SER 5 7.866 -1.435 3.327 35 HA SER 5 HA SER 5 7.971 0.330 5.538 36 HB2 SER 5 HB2 SER 5 10.139 -1.368 4.282 37 HB3 SER 5 HB1 SER 5 10.273 -0.559 5.841 38 HG SER 5 HG SER 5 9.424 -2.895 5.589 39 H HIS 6 HN HIS 6 9.352 2.078 5.965 40 HA HIS 6 HA HIS 6 9.711 3.917 3.857 41 HB2 HIS 6 HB2 HIS 6 10.831 5.309 5.484 42 HB3 HIS 6 HB1 HIS 6 9.475 4.509 6.278 43 HD1 HIS 6 HD1 HIS 6 13.239 4.409 6.038 44 HD2 HIS 6 HD2 HIS 6 10.196 2.669 8.296 45 HE1 HIS 6 HE1 HIS 6 14.371 3.197 7.953 46 HE2 HIS 6 HE2 HIS 6 12.529 2.131 9.338 47 H GLN 7 HN GLN 7 11.732 1.381 5.096 48 HA GLN 7 HA GLN 7 14.074 2.404 3.648 49 HB2 GLN 7 HB2 GLN 7 14.391 1.578 5.960 50 HB3 GLN 7 HB1 GLN 7 13.811 -0.010 5.457 51 HG2 GLN 7 HG2 GLN 7 15.648 -0.164 3.817 52 HG3 GLN 7 HG1 GLN 7 16.233 1.419 4.324 53 HE21 GLN 7 HE21 GLN 7 18.004 1.182 5.685 54 HE22 GLN 7 HE22 GLN 7 18.174 -0.029 6.862 55 H VAL 8 HN VAL 8 14.712 1.591 1.746 56 HA VAL 8 HA VAL 8 13.632 -1.010 0.874 57 HB VAL 8 HB VAL 8 12.242 0.744 -0.143 58 HG11 VAL 8 HG11 VAL 8 14.833 1.723 -1.377 59 HG12 VAL 8 HG12 VAL 8 13.999 2.527 -0.048 60 HG13 VAL 8 HG13 VAL 8 13.226 2.404 -1.628 61 HG21 VAL 8 HG21 VAL 8 12.921 -1.356 -1.399 62 HG22 VAL 8 HG22 VAL 8 14.161 -0.388 -2.198 63 HG23 VAL 8 HG23 VAL 8 12.456 0.001 -2.425 64 H GLU 9 HN GLU 9 15.016 -2.242 -0.341 65 HA GLU 9 HA GLU 9 17.496 -1.078 -1.345 66 HB2 GLU 9 HB2 GLU 9 18.634 -3.180 -0.145 67 HB3 GLU 9 HB1 GLU 9 18.503 -1.609 0.643 68 HG2 GLU 9 HG2 GLU 9 17.752 -3.499 2.099 69 HG3 GLU 9 HG1 GLU 9 16.486 -2.308 1.814 70 H LYS 10 HN LYS 10 16.069 -1.742 -3.230 71 HA LYS 10 HA LYS 10 16.837 -4.467 -4.031 72 HB2 LYS 10 HB2 LYS 10 14.623 -4.868 -4.996 73 HB3 LYS 10 HB1 LYS 10 14.494 -4.574 -3.262 74 HG2 LYS 10 HG2 LYS 10 13.915 -2.211 -3.711 75 HG3 LYS 10 HG1 LYS 10 14.013 -2.524 -5.445 76 HD2 LYS 10 HD2 LYS 10 12.218 -4.207 -5.245 77 HD3 LYS 10 HD1 LYS 10 12.114 -3.889 -3.513 78 HE2 LYS 10 HE2 LYS 10 11.505 -1.549 -3.965 79 HE3 LYS 10 HE1 LYS 10 11.634 -1.843 -5.699 80 HZ1 LYS 10 HZ1 LYS 10 9.615 -2.805 -3.795 81 HZ2 LYS 10 HZ2 LYS 10 9.965 -3.741 -5.169 82 HZ3 LYS 10 HZ3 LYS 10 9.405 -2.146 -5.344 83 H ARG 11 HN ARG 11 16.925 -4.779 -6.327 84 HA ARG 11 HA ARG 11 17.904 -2.477 -7.727 85 HB2 ARG 11 HB2 ARG 11 17.372 -5.325 -8.592 86 HB3 ARG 11 HB1 ARG 11 18.070 -4.101 -9.652 87 HG2 ARG 11 HG2 ARG 11 19.855 -3.730 -7.900 88 HG3 ARG 11 HG1 ARG 11 19.220 -5.141 -7.051 89 HD2 ARG 11 HD2 ARG 11 20.176 -5.160 -9.926 90 HD3 ARG 11 HD1 ARG 11 21.145 -5.687 -8.554 91 HE ARG 11 HE ARG 11 18.941 -7.121 -9.774 92 HH11 ARG 11 HH11 ARG 11 20.895 -6.687 -6.916 93 HH12 ARG 11 HH12 ARG 11 20.579 -8.277 -6.316 94 HH21 ARG 11 HH21 ARG 11 18.553 -9.194 -8.967 95 HH22 ARG 11 HH22 ARG 11 19.262 -9.688 -7.466 96 H LYS 12 HN LYS 12 17.016 -1.410 -9.488 97 HA LYS 12 HA LYS 12 14.146 -1.264 -9.540 98 HB2 LYS 12 HB2 LYS 12 14.472 0.483 -11.208 99 HB3 LYS 12 HB1 LYS 12 15.599 0.720 -9.871 100 HG2 LYS 12 HG2 LYS 12 17.365 -0.437 -11.178 101 HG3 LYS 12 HG1 LYS 12 16.239 -0.598 -12.526 102 HD2 LYS 12 HD2 LYS 12 16.048 1.829 -12.708 103 HD3 LYS 12 HD1 LYS 12 17.077 2.042 -11.292 104 HE2 LYS 12 HE2 LYS 12 18.482 2.358 -13.213 105 HE3 LYS 12 HE1 LYS 12 18.884 0.776 -12.547 106 HZ1 LYS 12 HZ1 LYS 12 18.600 0.222 -14.716 107 HZ2 LYS 12 HZ2 LYS 12 17.469 1.454 -15.015 108 HZ3 LYS 12 HZ3 LYS 12 16.995 0.041 -14.200 109 H CYS 13 HN CYS 13 12.747 -1.910 -11.100 110 HA CYS 13 HA CYS 13 11.934 -3.595 -12.494 111 HB2 CYS 13 HB2 CYS 13 13.711 -1.799 -14.126 112 HB3 CYS 13 HB1 CYS 13 12.751 -3.074 -14.877 113 H ASN 14 HN ASN 14 13.137 -5.349 -11.338 114 HA ASN 14 HA ASN 14 15.373 -6.427 -12.926 115 HB2 ASN 14 HB2 ASN 14 15.716 -7.928 -10.960 116 HB3 ASN 14 HB1 ASN 14 15.877 -6.217 -10.570 117 HD21 ASN 14 HD21 ASN 14 15.162 -6.274 -8.382 118 HD22 ASN 14 HD22 ASN 14 13.603 -6.770 -7.929 119 H THR 15 HN THR 15 12.557 -6.548 -13.772 120 HA THR 15 HA THR 15 12.434 -9.434 -14.204 121 HB THR 15 HB THR 15 11.062 -9.068 -12.183 122 HG1 THR 15 HG1 THR 15 9.751 -10.482 -12.980 123 HG21 THR 15 HG21 THR 15 9.001 -7.713 -12.371 124 HG22 THR 15 HG22 THR 15 9.484 -7.217 -13.993 125 HG23 THR 15 HG23 THR 15 10.444 -6.727 -12.598 126 H ALA 16 HN ALA 16 11.322 -10.018 -16.076 127 HA ALA 16 HA ALA 16 11.350 -8.219 -18.212 128 HB1 ALA 16 HB1 ALA 16 10.091 -10.904 -17.769 129 HB2 ALA 16 HB2 ALA 16 11.418 -10.457 -18.841 130 HB3 ALA 16 HB3 ALA 16 9.762 -10.009 -19.252 131 H THR 17 HN THR 17 8.961 -8.705 -15.762 132 HA THR 17 HA THR 17 6.631 -7.919 -17.112 133 HB THR 17 HB THR 17 7.406 -7.450 -14.222 134 HG1 THR 17 HG1 THR 17 7.406 -9.614 -14.714 135 HG21 THR 17 HG21 THR 17 4.893 -7.434 -13.928 136 HG22 THR 17 HG22 THR 17 4.759 -7.323 -15.683 137 HG23 THR 17 HG23 THR 17 5.545 -6.031 -14.775 138 H CYS 18 HN CYS 18 9.167 -6.003 -15.548 139 HA CYS 18 HA CYS 18 7.933 -3.487 -15.699 140 HB2 CYS 18 HB2 CYS 18 9.984 -3.896 -14.408 141 HB3 CYS 18 HB1 CYS 18 10.879 -4.156 -15.906 142 H ALA 19 HN ALA 19 10.002 -5.188 -18.037 143 HA ALA 19 HA ALA 19 10.145 -3.132 -19.952 144 HB1 ALA 19 HB1 ALA 19 11.640 -5.011 -20.105 145 HB2 ALA 19 HB2 ALA 19 10.638 -5.003 -21.557 146 HB3 ALA 19 HB3 ALA 19 10.290 -6.136 -20.252 147 H THR 20 HN THR 20 7.831 -5.768 -19.512 148 HA THR 20 HA THR 20 6.333 -5.412 -21.852 149 HB THR 20 HB THR 20 5.428 -6.393 -19.138 150 HG1 THR 20 HG1 THR 20 6.991 -7.723 -19.858 151 HG21 THR 20 HG21 THR 20 4.194 -6.569 -21.895 152 HG22 THR 20 HG22 THR 20 3.488 -5.847 -20.448 153 HG23 THR 20 HG23 THR 20 3.703 -7.595 -20.547 154 H GLN 21 HN GLN 21 5.857 -3.970 -18.618 155 HA GLN 21 HA GLN 21 3.549 -2.482 -19.491 156 HB2 GLN 21 HB2 GLN 21 3.272 -1.894 -17.293 157 HB3 GLN 21 HB1 GLN 21 4.259 -3.339 -17.081 158 HG2 GLN 21 HG2 GLN 21 6.291 -1.786 -17.158 159 HG3 GLN 21 HG1 GLN 21 5.151 -0.451 -16.994 160 HE21 GLN 21 HE21 GLN 21 6.471 -0.204 -14.858 161 HE22 GLN 21 HE22 GLN 21 5.908 -1.076 -13.516 162 H ARG 22 HN ARG 22 6.987 -1.833 -19.212 163 HA ARG 22 HA ARG 22 6.635 1.031 -19.535 164 HB2 ARG 22 HB2 ARG 22 8.916 1.233 -19.190 165 HB3 ARG 22 HB1 ARG 22 8.541 -0.219 -18.268 166 HG2 ARG 22 HG2 ARG 22 10.314 -1.050 -19.454 167 HG3 ARG 22 HG1 ARG 22 9.069 -1.353 -20.660 168 HD2 ARG 22 HD2 ARG 22 10.301 -0.085 -22.064 169 HD3 ARG 22 HD1 ARG 22 9.782 1.299 -21.107 170 HE ARG 22 HE ARG 22 11.912 1.402 -20.190 171 HH11 ARG 22 HH11 ARG 22 11.433 -1.661 -21.786 172 HH12 ARG 22 HH12 ARG 22 13.088 -2.137 -21.628 173 HH21 ARG 22 HH21 ARG 22 14.068 0.755 -19.998 174 HH22 ARG 22 HH22 ARG 22 14.572 -0.780 -20.623 175 H LEU 23 HN LEU 23 7.038 -1.720 -21.590 176 HA LEU 23 HA LEU 23 7.969 -0.170 -23.859 177 HB2 LEU 23 HB2 LEU 23 8.668 -2.522 -23.563 178 HB3 LEU 23 HB1 LEU 23 6.987 -3.032 -23.716 179 HG LEU 23 HG LEU 23 6.926 -1.975 -25.987 180 HD11 LEU 23 HD11 LEU 23 8.656 -0.330 -25.838 181 HD12 LEU 23 HD12 LEU 23 9.232 -1.530 -26.994 182 HD13 LEU 23 HD13 LEU 23 9.849 -1.530 -25.342 183 HD21 LEU 23 HD21 LEU 23 8.233 -3.738 -27.086 184 HD22 LEU 23 HD22 LEU 23 7.406 -4.395 -25.673 185 HD23 LEU 23 HD23 LEU 23 9.129 -4.025 -25.594 186 H ALA 24 HN ALA 24 4.966 -1.726 -22.799 187 HA ALA 24 HA ALA 24 3.436 -1.255 -25.099 188 HB1 ALA 24 HB1 ALA 24 2.759 -1.630 -22.196 189 HB2 ALA 24 HB2 ALA 24 2.462 -2.714 -23.555 190 HB3 ALA 24 HB3 ALA 24 1.496 -1.250 -23.367 191 H ASN 25 HN ASN 25 3.944 0.775 -22.217 192 HA ASN 25 HA ASN 25 2.150 2.832 -22.927 193 HB2 ASN 25 HB2 ASN 25 4.626 2.802 -21.202 194 HB3 ASN 25 HB1 ASN 25 3.600 4.224 -21.382 195 HD21 ASN 25 HD21 ASN 25 1.037 3.238 -21.299 196 HD22 ASN 25 HD22 ASN 25 0.758 2.400 -19.849 197 H PHE 26 HN PHE 26 5.571 2.315 -23.666 198 HA PHE 26 HA PHE 26 6.043 4.840 -24.860 199 HB2 PHE 26 HB2 PHE 26 7.850 3.342 -24.105 200 HB3 PHE 26 HB1 PHE 26 7.430 2.201 -25.382 201 HD1 PHE 26 HD1 PHE 26 8.580 5.687 -24.743 202 HD2 PHE 26 HD2 PHE 26 8.186 2.515 -27.613 203 HE1 PHE 26 HE1 PHE 26 9.981 6.962 -26.344 204 HE2 PHE 26 HE2 PHE 26 9.587 3.790 -29.214 205 HZ PHE 26 HZ PHE 26 10.484 6.013 -28.579 206 H LEU 27 HN LEU 27 4.950 1.736 -26.178 207 HA LEU 27 HA LEU 27 5.096 2.483 -28.896 208 HB2 LEU 27 HB2 LEU 27 4.961 0.141 -28.154 209 HB3 LEU 27 HB1 LEU 27 3.350 0.420 -27.516 210 HG LEU 27 HG LEU 27 3.629 -0.718 -29.848 211 HD11 LEU 27 HD11 LEU 27 1.704 1.596 -29.880 212 HD12 LEU 27 HD12 LEU 27 1.514 0.298 -28.702 213 HD13 LEU 27 HD13 LEU 27 1.469 -0.063 -30.426 214 HD21 LEU 27 HD21 LEU 27 5.153 1.251 -30.602 215 HD22 LEU 27 HD22 LEU 27 3.643 2.127 -30.846 216 HD23 LEU 27 HD23 LEU 27 3.951 0.639 -31.737 217 H VAL 28 HN VAL 28 2.300 2.384 -26.657 218 HA VAL 28 HA VAL 28 0.402 3.388 -28.452 219 HB VAL 28 HB VAL 28 -0.902 4.004 -26.453 220 HG11 VAL 28 HG11 VAL 28 -0.649 1.614 -27.300 221 HG12 VAL 28 HG12 VAL 28 -1.148 1.776 -25.616 222 HG13 VAL 28 HG13 VAL 28 0.524 1.374 -26.006 223 HG21 VAL 28 HG21 VAL 28 1.582 3.180 -24.922 224 HG22 VAL 28 HG22 VAL 28 0.050 3.704 -24.229 225 HG23 VAL 28 HG23 VAL 28 1.047 4.847 -25.128 226 H HIS 29 HN HIS 29 2.977 4.994 -26.787 227 HA HIS 29 HA HIS 29 1.773 7.625 -27.232 228 HB2 HIS 29 HB2 HIS 29 2.831 7.272 -25.069 229 HB3 HIS 29 HB1 HIS 29 4.344 6.818 -25.854 230 HD1 HIS 29 HD1 HIS 29 1.974 9.807 -25.724 231 HD2 HIS 29 HD2 HIS 29 6.013 8.972 -26.333 232 HE1 HIS 29 HE1 HIS 29 3.147 12.044 -25.920 233 HE2 HIS 29 HE2 HIS 29 5.610 11.552 -26.291 234 H SER 30 HN SER 30 4.203 5.496 -28.508 235 HA SER 30 HA SER 30 5.295 7.621 -30.228 236 HB2 SER 30 HB2 SER 30 6.857 6.136 -28.942 237 HB3 SER 30 HB1 SER 30 6.262 4.775 -29.889 238 HG SER 30 HG SER 30 7.071 5.710 -31.720 239 H SER 31 HN SER 31 2.621 6.099 -30.493 240 HA SER 31 HA SER 31 2.657 4.361 -32.661 241 HB2 SER 31 HB2 SER 31 0.629 4.788 -31.376 242 HB3 SER 31 HB1 SER 31 0.586 6.453 -31.948 243 HG SER 31 HG SER 31 0.123 4.051 -33.339 244 H ASN 32 HN ASN 32 2.276 7.896 -32.680 245 HA ASN 32 HA ASN 32 2.071 8.393 -35.376 246 HB2 ASN 32 HB2 ASN 32 3.352 10.548 -34.850 247 HB3 ASN 32 HB1 ASN 32 1.882 10.247 -33.925 248 HD21 ASN 32 HD21 ASN 32 5.150 11.067 -33.599 249 HD22 ASN 32 HD22 ASN 32 5.342 10.669 -31.961 250 H ASN 33 HN ASN 33 5.114 8.205 -33.525 251 HA ASN 33 HA ASN 33 6.851 8.471 -35.725 252 HB2 ASN 33 HB2 ASN 33 7.202 7.159 -33.028 253 HB3 ASN 33 HB1 ASN 33 8.512 7.319 -34.197 254 HD21 ASN 33 HD21 ASN 33 8.583 8.634 -31.634 255 HD22 ASN 33 HD22 ASN 33 8.508 10.308 -31.905 256 H PHE 34 HN PHE 34 5.398 5.589 -34.236 257 HA PHE 34 HA PHE 34 6.814 3.638 -35.633 258 HB2 PHE 34 HB2 PHE 34 5.252 3.154 -33.776 259 HB3 PHE 34 HB1 PHE 34 3.895 3.559 -34.828 260 HD1 PHE 34 HD1 PHE 34 6.763 1.226 -34.397 261 HD2 PHE 34 HD2 PHE 34 3.062 2.007 -36.432 262 HE1 PHE 34 HE1 PHE 34 6.780 -1.079 -35.313 263 HE2 PHE 34 HE2 PHE 34 3.079 -0.297 -37.348 264 HZ PHE 34 HZ PHE 34 4.938 -1.840 -36.788 265 H GLY 35 HN GLY 35 3.975 5.516 -36.584 266 HA2 GLY 35 HA2 GLY 35 3.358 4.161 -38.976 267 HA3 GLY 35 HA1 GLY 35 2.969 5.844 -38.631 268 H ALA 36 HN ALA 36 5.557 6.836 -38.278 269 HA ALA 36 HA ALA 36 6.291 7.517 -40.892 270 HB1 ALA 36 HB1 ALA 36 8.161 7.553 -38.521 271 HB2 ALA 36 HB2 ALA 36 6.884 8.746 -38.753 272 HB3 ALA 36 HB3 ALA 36 8.186 8.607 -39.935 273 H ILE 37 HN ILE 37 7.671 5.092 -38.692 274 HA ILE 37 HA ILE 37 9.751 4.275 -40.460 275 HB ILE 37 HB ILE 37 8.443 2.931 -38.090 276 HG12 ILE 37 HG12 ILE 37 11.239 4.051 -38.418 277 HG13 ILE 37 HG11 ILE 37 9.893 5.014 -37.808 278 HG21 ILE 37 HG21 ILE 37 10.478 1.409 -38.221 279 HG22 ILE 37 HG22 ILE 37 10.736 2.031 -39.851 280 HG23 ILE 37 HG23 ILE 37 9.260 1.144 -39.469 281 HD11 ILE 37 HD11 ILE 37 10.691 2.358 -36.598 282 HD12 ILE 37 HD12 ILE 37 9.593 3.561 -35.924 283 HD13 ILE 37 HD13 ILE 37 11.320 3.902 -36.023 284 H LEU 38 HN LEU 38 6.491 3.014 -39.807 285 HA LEU 38 HA LEU 38 6.623 0.744 -41.440 286 HB2 LEU 38 HB2 LEU 38 4.793 1.154 -39.852 287 HB3 LEU 38 HB1 LEU 38 4.232 2.504 -40.837 288 HG LEU 38 HG LEU 38 3.892 0.929 -42.744 289 HD11 LEU 38 HD11 LEU 38 5.461 -0.814 -42.245 290 HD12 LEU 38 HD12 LEU 38 3.859 -1.538 -42.103 291 HD13 LEU 38 HD13 LEU 38 4.753 -1.083 -40.652 292 HD21 LEU 38 HD21 LEU 38 1.977 1.438 -41.361 293 HD22 LEU 38 HD22 LEU 38 2.504 0.298 -40.124 294 HD23 LEU 38 HD23 LEU 38 1.946 -0.294 -41.689 295 H SER 39 HN SER 39 5.501 4.031 -42.200 296 HA SER 39 HA SER 39 4.692 3.710 -44.806 297 HB2 SER 39 HB2 SER 39 6.212 6.038 -43.615 298 HB3 SER 39 HB1 SER 39 5.353 6.082 -45.152 299 HG SER 39 HG SER 39 4.179 5.370 -42.666 300 H SER 40 HN SER 40 7.963 3.821 -43.545 301 HA SER 40 HA SER 40 9.098 3.790 -46.248 302 HB2 SER 40 HB2 SER 40 10.314 4.045 -43.499 303 HB3 SER 40 HB1 SER 40 11.287 3.829 -44.951 304 HG SER 40 HG SER 40 10.864 5.817 -45.514 305 H THR 41 HN THR 41 7.553 1.514 -45.401 306 HA THR 41 HA THR 41 9.528 -0.563 -44.812 307 HB THR 41 HB THR 41 7.293 -0.577 -43.698 308 HG1 THR 41 HG1 THR 41 8.483 -2.503 -44.038 309 HG21 THR 41 HG21 THR 41 5.305 -1.022 -44.926 310 HG22 THR 41 HG22 THR 41 6.205 -1.399 -46.394 311 HG23 THR 41 HG23 THR 41 6.117 0.265 -45.817 312 H ASN 42 HN ASN 42 9.697 0.863 -47.343 313 HA ASN 42 HA ASN 42 8.723 -1.004 -49.354 314 HB2 ASN 42 HB2 ASN 42 9.608 0.562 -50.968 315 HB3 ASN 42 HB1 ASN 42 8.727 1.463 -49.735 316 HD21 ASN 42 HD21 ASN 42 10.643 2.863 -51.195 317 HD22 ASN 42 HD22 ASN 42 11.998 3.177 -50.223 318 H VAL 43 HN VAL 43 11.007 -1.491 -47.252 319 HA VAL 43 HA VAL 43 13.402 -1.864 -48.711 320 HB VAL 43 HB VAL 43 13.191 -1.805 -46.205 321 HG11 VAL 43 HG11 VAL 43 12.343 -4.694 -46.515 322 HG12 VAL 43 HG12 VAL 43 11.195 -3.389 -46.217 323 HG13 VAL 43 HG13 VAL 43 12.444 -3.754 -45.027 324 HG21 VAL 43 HG21 VAL 43 14.526 -4.263 -47.387 325 HG22 VAL 43 HG22 VAL 43 14.932 -3.509 -45.845 326 HG23 VAL 43 HG23 VAL 43 15.225 -2.644 -47.354 327 H GLY 44 HN GLY 44 10.466 -3.688 -48.528 328 HA2 GLY 44 HA2 GLY 44 10.590 -5.240 -50.668 329 HA3 GLY 44 HA1 GLY 44 11.701 -6.108 -49.613 330 H SER 45 HN SER 45 9.911 -5.057 -47.299 331 HA SER 45 HA SER 45 8.105 -7.358 -47.346 332 HB2 SER 45 HB2 SER 45 7.791 -6.866 -44.957 333 HB3 SER 45 HB1 SER 45 9.501 -7.005 -45.355 334 HG SER 45 HG SER 45 8.658 -5.100 -44.061 335 H ASN 46 HN ASN 46 7.640 -4.897 -48.966 336 HA ASN 46 HA ASN 46 5.279 -3.720 -47.700 337 HB2 ASN 46 HB2 ASN 46 5.293 -2.153 -49.542 338 HB3 ASN 46 HB1 ASN 46 6.932 -2.289 -48.909 339 HD21 ASN 46 HD21 ASN 46 6.646 -1.381 -51.533 340 HD22 ASN 46 HD22 ASN 46 7.147 -2.587 -52.618 341 H THR 47 HN THR 47 5.404 -6.561 -48.645 342 HA THR 47 HA THR 47 3.521 -6.570 -50.884 343 HB THR 47 HB THR 47 4.055 -9.159 -49.681 344 HG1 THR 47 HG1 THR 47 6.302 -9.093 -50.280 345 HG21 THR 47 HG21 THR 47 3.266 -8.971 -51.938 346 HG22 THR 47 HG22 THR 47 4.934 -9.538 -52.032 347 HG23 THR 47 HG23 THR 47 4.558 -7.846 -52.360 348 H TYR 48 HN TYR 48 2.774 -5.525 -48.212 349 HA TYR 48 HA TYR 48 0.605 -7.433 -47.575 350 HB2 TYR 48 HB2 TYR 48 0.668 -6.729 -45.310 351 HB3 TYR 48 HB1 TYR 48 2.353 -6.965 -45.770 352 HD1 TYR 48 HD1 TYR 48 -0.014 -4.679 -44.401 353 HD2 TYR 48 HD2 TYR 48 3.614 -4.869 -46.693 354 HE1 TYR 48 HE1 TYR 48 0.475 -2.317 -43.823 355 HE2 TYR 48 HE2 TYR 48 4.102 -2.508 -46.115 356 HH TYR 48 HH TYR 48 3.161 -0.941 -43.837 357 H GLY 49 HN GLY 49 0.765 -5.180 -49.580 358 HA2 GLY 49 HA2 GLY 49 -0.669 -2.929 -48.778 359 HA3 GLY 49 HA1 GLY 49 -0.676 -3.589 -50.410 360 H LYS 50 HN LYS 50 -2.843 -2.402 -48.719 361 HA LYS 50 HA LYS 50 -4.650 -4.399 -47.877 362 HB2 LYS 50 HB2 LYS 50 -5.042 -1.543 -48.771 363 HB3 LYS 50 HB1 LYS 50 -6.373 -2.553 -48.204 364 HG2 LYS 50 HG2 LYS 50 -5.175 -2.936 -46.077 365 HG3 LYS 50 HG1 LYS 50 -3.856 -1.910 -46.640 366 HD2 LYS 50 HD2 LYS 50 -6.647 -0.816 -46.666 367 HD3 LYS 50 HD1 LYS 50 -5.777 -0.895 -45.133 368 HE2 LYS 50 HE2 LYS 50 -4.577 0.342 -47.619 369 HE3 LYS 50 HE1 LYS 50 -5.508 1.277 -46.449 370 HZ1 LYS 50 HZ1 LYS 50 -3.926 1.027 -44.843 371 HZ2 LYS 50 HZ2 LYS 50 -2.933 1.041 -46.222 372 HZ3 LYS 50 HZ3 LYS 50 -3.334 -0.432 -45.475 373 H ARG 51 HN ARG 51 -4.132 -2.837 -51.003 374 HA ARG 51 HA ARG 51 -6.418 -3.844 -52.315 375 HB2 ARG 51 HB2 ARG 51 -5.340 -3.209 -54.356 376 HB3 ARG 51 HB1 ARG 51 -4.893 -2.009 -53.142 377 HG2 ARG 51 HG2 ARG 51 -2.781 -3.320 -52.730 378 HG3 ARG 51 HG1 ARG 51 -3.213 -4.343 -54.101 379 HD2 ARG 51 HD2 ARG 51 -3.280 -2.324 -55.551 380 HD3 ARG 51 HD1 ARG 51 -2.761 -1.346 -54.181 381 HE ARG 51 HE ARG 51 -1.109 -3.113 -55.770 382 HH11 ARG 51 HH11 ARG 51 -1.514 -1.507 -52.699 383 HH12 ARG 51 HH12 ARG 51 0.175 -1.534 -52.329 384 HH21 ARG 51 HH21 ARG 51 1.092 -3.132 -55.260 385 HH22 ARG 51 HH22 ARG 51 1.643 -2.448 -53.768 386 H ASN 52 HN ASN 52 -3.559 -5.422 -51.265 387 HA ASN 52 HA ASN 52 -3.536 -7.513 -53.233 388 HB2 ASN 52 HB2 ASN 52 -1.525 -6.909 -51.932 389 HB3 ASN 52 HB1 ASN 52 -2.327 -7.452 -50.459 390 HD21 ASN 52 HD21 ASN 52 -2.112 -9.645 -49.947 391 HD22 ASN 52 HD22 ASN 52 -1.535 -10.829 -51.018 392 H ALA 53 HN ALA 53 -5.168 -6.960 -50.197 393 HA ALA 53 HA ALA 53 -5.878 -9.582 -49.517 394 HB1 ALA 53 HB1 ALA 53 -7.955 -8.356 -48.522 395 HB2 ALA 53 HB2 ALA 53 -7.107 -6.891 -49.017 396 HB3 ALA 53 HB3 ALA 53 -6.354 -8.003 -47.874 397 H VAL 54 HN VAL 54 -7.453 -7.263 -51.695 398 HA VAL 54 HA VAL 54 -9.687 -8.975 -52.246 399 HB VAL 54 HB VAL 54 -9.349 -6.350 -52.561 400 HG11 VAL 54 HG11 VAL 54 -8.939 -7.387 -55.374 401 HG12 VAL 54 HG12 VAL 54 -7.609 -6.810 -54.371 402 HG13 VAL 54 HG13 VAL 54 -8.912 -5.713 -54.822 403 HG21 VAL 54 HG21 VAL 54 -11.333 -6.386 -53.997 404 HG22 VAL 54 HG22 VAL 54 -11.459 -7.656 -52.779 405 HG23 VAL 54 HG23 VAL 54 -11.010 -8.064 -54.435 406 H GLU 55 HN GLU 55 -6.504 -8.528 -53.666 407 HA GLU 55 HA GLU 55 -6.990 -9.815 -56.133 408 HB2 GLU 55 HB2 GLU 55 -4.953 -8.448 -55.501 409 HB3 GLU 55 HB1 GLU 55 -4.388 -9.853 -54.597 410 HG2 GLU 55 HG2 GLU 55 -5.232 -10.146 -57.469 411 HG3 GLU 55 HG1 GLU 55 -3.620 -9.553 -57.080 412 H VAL 56 HN VAL 56 -5.677 -11.095 -53.068 413 HA VAL 56 HA VAL 56 -5.540 -13.782 -54.005 414 HB VAL 56 HB VAL 56 -4.178 -12.999 -52.119 415 HG11 VAL 56 HG11 VAL 56 -6.763 -12.929 -50.541 416 HG12 VAL 56 HG12 VAL 56 -5.975 -11.488 -51.184 417 HG13 VAL 56 HG13 VAL 56 -5.155 -12.476 -49.978 418 HG21 VAL 56 HG21 VAL 56 -4.450 -14.946 -50.734 419 HG22 VAL 56 HG22 VAL 56 -4.908 -15.420 -52.370 420 HG23 VAL 56 HG23 VAL 56 -6.154 -15.088 -51.166 421 H LEU 57 HN LEU 57 -7.971 -11.942 -52.203 422 HA LEU 57 HA LEU 57 -9.695 -13.986 -51.441 423 HB2 LEU 57 HB2 LEU 57 -9.840 -11.111 -51.777 424 HB3 LEU 57 HB1 LEU 57 -11.352 -11.885 -52.249 425 HG LEU 57 HG LEU 57 -11.080 -13.244 -50.046 426 HD11 LEU 57 HD11 LEU 57 -8.707 -12.341 -49.738 427 HD12 LEU 57 HD12 LEU 57 -9.758 -12.241 -48.326 428 HD13 LEU 57 HD13 LEU 57 -9.453 -10.803 -49.301 429 HD21 LEU 57 HD21 LEU 57 -12.754 -11.397 -50.565 430 HD22 LEU 57 HD22 LEU 57 -11.634 -10.276 -49.790 431 HD23 LEU 57 HD23 LEU 57 -12.354 -11.589 -48.858 432 H LYS 58 HN LYS 58 -9.755 -12.132 -54.502 433 HA LYS 58 HA LYS 58 -11.880 -13.674 -55.593 434 HB2 LYS 58 HB2 LYS 58 -9.857 -11.805 -56.832 435 HB3 LYS 58 HB1 LYS 58 -11.099 -12.620 -57.783 436 HG2 LYS 58 HG2 LYS 58 -11.827 -11.058 -55.310 437 HG3 LYS 58 HG1 LYS 58 -11.635 -10.251 -56.867 438 HD2 LYS 58 HD2 LYS 58 -13.289 -11.823 -57.858 439 HD3 LYS 58 HD1 LYS 58 -13.523 -12.548 -56.266 440 HE2 LYS 58 HE2 LYS 58 -13.931 -9.599 -56.816 441 HE3 LYS 58 HE1 LYS 58 -15.234 -10.784 -56.889 442 HZ1 LYS 58 HZ1 LYS 58 -13.497 -10.375 -54.519 443 HZ2 LYS 58 HZ2 LYS 58 -14.892 -11.340 -54.614 444 HZ3 LYS 58 HZ3 LYS 58 -15.017 -9.648 -54.714 445 H ARG 59 HN ARG 59 -8.376 -13.889 -55.711 446 HA ARG 59 HA ARG 59 -8.120 -15.788 -57.776 447 HB2 ARG 59 HB2 ARG 59 -6.263 -14.436 -56.719 448 HB3 ARG 59 HB1 ARG 59 -6.325 -15.554 -55.356 449 HG2 ARG 59 HG2 ARG 59 -6.210 -16.852 -58.007 450 HG3 ARG 59 HG1 ARG 59 -4.769 -15.931 -57.575 451 HD2 ARG 59 HD2 ARG 59 -4.689 -17.142 -55.399 452 HD3 ARG 59 HD1 ARG 59 -6.066 -18.110 -55.914 453 HE ARG 59 HE ARG 59 -4.088 -18.311 -57.894 454 HH11 ARG 59 HH11 ARG 59 -4.602 -19.175 -54.554 455 HH12 ARG 59 HH12 ARG 59 -3.565 -20.556 -54.629 456 HH21 ARG 59 HH21 ARG 59 -2.739 -20.122 -57.963 457 HH22 ARG 59 HH22 ARG 59 -2.516 -21.092 -56.545 458 H GLU 60 HN GLU 60 -8.995 -16.095 -54.409 459 HA GLU 60 HA GLU 60 -9.044 -19.037 -54.707 460 HB2 GLU 60 HB2 GLU 60 -7.565 -18.134 -52.905 461 HB3 GLU 60 HB1 GLU 60 -8.994 -17.438 -52.141 462 HG2 GLU 60 HG2 GLU 60 -10.000 -19.666 -51.940 463 HG3 GLU 60 HG1 GLU 60 -8.611 -20.382 -52.756 464 HA PRO 61 HA PRO 61 -13.460 -17.569 -54.515 465 HB2 PRO 61 HB2 PRO 61 -14.353 -19.296 -56.450 466 HB3 PRO 61 HB1 PRO 61 -13.726 -17.672 -56.793 467 HG2 PRO 61 HG2 PRO 61 -12.380 -20.313 -57.041 468 HG3 PRO 61 HG1 PRO 61 -12.283 -18.890 -58.093 469 HD2 PRO 61 HD2 PRO 61 -10.332 -19.530 -56.288 470 HD3 PRO 61 HD1 PRO 61 -10.685 -17.858 -56.777 471 H LEU 62 HN LEU 62 -11.739 -20.403 -53.851 472 HA LEU 62 HA LEU 62 -13.800 -22.270 -53.379 473 HB2 LEU 62 HB2 LEU 62 -11.346 -22.791 -53.463 474 HB3 LEU 62 HB1 LEU 62 -11.183 -22.035 -51.878 475 HG LEU 62 HG LEU 62 -13.369 -23.987 -52.006 476 HD11 LEU 62 HD11 LEU 62 -11.640 -24.982 -53.574 477 HD12 LEU 62 HD12 LEU 62 -12.009 -25.968 -52.159 478 HD13 LEU 62 HD13 LEU 62 -10.526 -25.015 -52.207 479 HD21 LEU 62 HD21 LEU 62 -12.408 -24.664 -49.879 480 HD22 LEU 62 HD22 LEU 62 -12.406 -22.902 -49.950 481 HD23 LEU 62 HD23 LEU 62 -10.914 -23.798 -50.233 482 H ASN 63 HN ASN 63 -12.329 -19.787 -51.335 483 HA ASN 63 HA ASN 63 -13.679 -20.450 -48.936 484 HB2 ASN 63 HB2 ASN 63 -12.860 -18.430 -48.087 485 HB3 ASN 63 HB1 ASN 63 -11.678 -18.842 -49.327 486 HD21 ASN 63 HD21 ASN 63 -13.248 -16.216 -48.185 487 HD22 ASN 63 HD22 ASN 63 -13.437 -15.324 -49.617 488 H TYR 64 HN TYR 64 -14.564 -18.537 -51.736 489 HA TYR 64 HA TYR 64 -16.911 -17.368 -50.553 490 HB2 TYR 64 HB2 TYR 64 -15.711 -16.324 -52.454 491 HB3 TYR 64 HB1 TYR 64 -16.173 -17.688 -53.472 492 HD1 TYR 64 HD1 TYR 64 -17.549 -14.925 -51.376 493 HD2 TYR 64 HD2 TYR 64 -18.314 -17.791 -54.484 494 HE1 TYR 64 HE1 TYR 64 -19.735 -13.847 -51.832 495 HE2 TYR 64 HE2 TYR 64 -20.501 -16.713 -54.939 496 HH TYR 64 HH TYR 64 -21.323 -13.671 -53.795 497 H LEU 65 HN LEU 65 -16.243 -20.194 -52.575 498 HA LEU 65 HA LEU 65 -18.962 -20.861 -53.054 499 HB2 LEU 65 HB2 LEU 65 -16.435 -22.522 -53.125 500 HB3 LEU 65 HB1 LEU 65 -18.011 -23.118 -53.642 501 HG LEU 65 HG LEU 65 -16.754 -20.605 -54.767 502 HD11 LEU 65 HD11 LEU 65 -15.977 -21.903 -56.634 503 HD12 LEU 65 HD12 LEU 65 -16.796 -23.350 -56.046 504 HD13 LEU 65 HD13 LEU 65 -15.397 -22.714 -55.180 505 HD21 LEU 65 HD21 LEU 65 -18.397 -21.199 -56.640 506 HD22 LEU 65 HD22 LEU 65 -19.121 -20.649 -55.130 507 HD23 LEU 65 HD23 LEU 65 -19.098 -22.369 -55.521 508 HA PRO 66 HA PRO 66 -20.395 -22.753 -49.347 509 HB2 PRO 66 HB2 PRO 66 -20.914 -25.270 -50.856 510 HB3 PRO 66 HB1 PRO 66 -22.026 -24.285 -49.887 511 HG2 PRO 66 HG2 PRO 66 -22.114 -24.275 -52.548 512 HG3 PRO 66 HG1 PRO 66 -22.430 -22.813 -51.598 513 HD2 PRO 66 HD2 PRO 66 -20.008 -23.536 -53.193 514 HD3 PRO 66 HD1 PRO 66 -20.727 -21.939 -52.887 515 H LEU 67 HN LEU 67 -19.596 -23.960 -47.657 516 HA LEU 67 HA LEU 67 -17.611 -26.052 -48.217 517 HB2 LEU 67 HB2 LEU 67 -17.125 -23.477 -46.778 518 HB3 LEU 67 HB1 LEU 67 -16.315 -24.933 -46.201 519 HG LEU 67 HG LEU 67 -16.271 -24.150 -49.116 520 HD11 LEU 67 HD11 LEU 67 -14.440 -23.278 -46.869 521 HD12 LEU 67 HD12 LEU 67 -15.303 -22.254 -48.016 522 HD13 LEU 67 HD13 LEU 67 -13.952 -23.247 -48.563 523 HD21 LEU 67 HD21 LEU 67 -15.604 -26.419 -48.726 524 HD22 LEU 67 HD22 LEU 67 -14.643 -25.965 -47.318 525 HD23 LEU 67 HD23 LEU 67 -14.110 -25.505 -48.935 Start of MODEL 14 1 H1 THR 1 HT1 THR 1 -3.987 -2.862 -0.359 2 H2 THR 1 HT2 THR 1 -4.197 -3.027 1.319 3 H3 THR 1 HT3 THR 1 -4.293 -4.390 0.310 4 HA THR 1 HA THR 1 -2.200 -4.596 1.205 5 HB THR 1 HB THR 1 -2.486 -3.757 -1.520 6 HG1 THR 1 HG1 THR 1 -0.349 -5.195 -0.363 7 HG21 THR 1 HG21 THR 1 -0.183 -2.987 -1.973 8 HG22 THR 1 HG22 THR 1 0.138 -2.924 -0.243 9 HG23 THR 1 HG23 THR 1 -1.053 -1.838 -0.961 10 HA PRO 2 HA PRO 2 -0.708 -1.067 3.430 11 HB2 PRO 2 HB2 PRO 2 1.928 -1.694 3.783 12 HB3 PRO 2 HB1 PRO 2 0.612 -2.498 4.660 13 HG2 PRO 2 HG2 PRO 2 2.159 -3.431 2.298 14 HG3 PRO 2 HG1 PRO 2 1.572 -4.343 3.698 15 HD2 PRO 2 HD2 PRO 2 0.327 -4.374 1.252 16 HD3 PRO 2 HD1 PRO 2 -0.524 -4.654 2.785 17 H ILE 3 HN ILE 3 0.477 0.882 3.224 18 HA ILE 3 HA ILE 3 0.890 1.846 0.627 19 HB ILE 3 HB ILE 3 0.496 3.222 2.705 20 HG12 ILE 3 HG12 ILE 3 2.184 5.018 1.975 21 HG13 ILE 3 HG11 ILE 3 2.761 3.839 0.797 22 HG21 ILE 3 HG21 ILE 3 2.301 1.982 4.007 23 HG22 ILE 3 HG22 ILE 3 2.340 3.739 4.145 24 HG23 ILE 3 HG23 ILE 3 3.483 2.913 3.087 25 HD11 ILE 3 HD11 ILE 3 -0.151 4.623 1.027 26 HD12 ILE 3 HD12 ILE 3 0.627 3.734 -0.282 27 HD13 ILE 3 HD13 ILE 3 0.976 5.447 -0.050 28 H GLU 4 HN GLU 4 2.667 2.073 -0.665 29 HA GLU 4 HA GLU 4 4.767 0.209 -0.450 30 HB2 GLU 4 HB2 GLU 4 5.769 1.393 -2.337 31 HB3 GLU 4 HB1 GLU 4 4.032 1.221 -2.586 32 HG2 GLU 4 HG2 GLU 4 3.735 3.528 -1.632 33 HG3 GLU 4 HG1 GLU 4 5.491 3.689 -1.606 34 H SER 5 HN SER 5 7.067 0.650 -0.231 35 HA SER 5 HA SER 5 7.644 2.182 2.107 36 HB2 SER 5 HB2 SER 5 9.919 1.442 1.806 37 HB3 SER 5 HB1 SER 5 8.852 0.095 1.418 38 HG SER 5 HG SER 5 10.552 0.493 -0.138 39 H HIS 6 HN HIS 6 9.239 3.909 2.243 40 HA HIS 6 HA HIS 6 8.986 5.762 -0.036 41 HB2 HIS 6 HB2 HIS 6 9.566 7.518 1.606 42 HB3 HIS 6 HB1 HIS 6 8.137 6.607 2.095 43 HD1 HIS 6 HD1 HIS 6 11.832 6.926 2.859 44 HD2 HIS 6 HD2 HIS 6 8.419 5.176 4.493 45 HE1 HIS 6 HE1 HIS 6 12.486 6.090 5.158 46 HE2 HIS 6 HE2 HIS 6 10.416 5.020 6.168 47 H GLN 7 HN GLN 7 10.978 3.503 0.306 48 HA GLN 7 HA GLN 7 13.535 4.614 0.831 49 HB2 GLN 7 HB2 GLN 7 13.103 2.189 0.853 50 HB3 GLN 7 HB1 GLN 7 12.795 2.230 -0.884 51 HG2 GLN 7 HG2 GLN 7 15.075 2.992 -1.309 52 HG3 GLN 7 HG1 GLN 7 15.396 3.079 0.422 53 HE21 GLN 7 HE21 GLN 7 17.108 1.447 0.257 54 HE22 GLN 7 HE22 GLN 7 16.732 -0.189 0.002 55 H VAL 8 HN VAL 8 14.917 5.730 -0.425 56 HA VAL 8 HA VAL 8 14.272 6.019 -3.294 57 HB VAL 8 HB VAL 8 13.514 8.030 -2.100 58 HG11 VAL 8 HG11 VAL 8 15.207 7.728 -0.220 59 HG12 VAL 8 HG12 VAL 8 15.015 9.380 -0.807 60 HG13 VAL 8 HG13 VAL 8 16.409 8.422 -1.307 61 HG21 VAL 8 HG21 VAL 8 16.078 8.497 -3.659 62 HG22 VAL 8 HG22 VAL 8 14.780 9.666 -3.421 63 HG23 VAL 8 HG23 VAL 8 14.494 8.216 -4.383 64 H GLU 9 HN GLU 9 15.986 5.972 -4.666 65 HA GLU 9 HA GLU 9 18.701 6.167 -3.584 66 HB2 GLU 9 HB2 GLU 9 19.132 4.040 -5.135 67 HB3 GLU 9 HB1 GLU 9 18.679 3.875 -3.440 68 HG2 GLU 9 HG2 GLU 9 17.328 2.423 -4.969 69 HG3 GLU 9 HG1 GLU 9 16.347 3.549 -4.035 70 H LYS 10 HN LYS 10 18.113 8.199 -4.902 71 HA LYS 10 HA LYS 10 17.804 8.269 -7.644 72 HB2 LYS 10 HB2 LYS 10 19.080 10.446 -7.534 73 HB3 LYS 10 HB1 LYS 10 17.741 10.315 -6.394 74 HG2 LYS 10 HG2 LYS 10 20.179 9.236 -5.247 75 HG3 LYS 10 HG1 LYS 10 20.415 10.903 -5.773 76 HD2 LYS 10 HD2 LYS 10 18.366 11.563 -4.532 77 HD3 LYS 10 HD1 LYS 10 18.200 9.904 -3.958 78 HE2 LYS 10 HE2 LYS 10 20.421 10.059 -2.881 79 HE3 LYS 10 HE1 LYS 10 20.567 11.727 -3.435 80 HZ1 LYS 10 HZ1 LYS 10 18.345 10.748 -1.731 81 HZ2 LYS 10 HZ2 LYS 10 18.710 12.360 -2.124 82 HZ3 LYS 10 HZ3 LYS 10 19.750 11.472 -1.115 83 H ARG 11 HN ARG 11 19.139 8.141 -9.411 84 HA ARG 11 HA ARG 11 21.989 7.634 -9.003 85 HB2 ARG 11 HB2 ARG 11 21.709 5.675 -10.715 86 HB3 ARG 11 HB1 ARG 11 21.411 5.387 -9.005 87 HG2 ARG 11 HG2 ARG 11 19.607 4.382 -10.264 88 HG3 ARG 11 HG1 ARG 11 18.954 5.790 -9.437 89 HD2 ARG 11 HD2 ARG 11 20.063 6.322 -12.126 90 HD3 ARG 11 HD1 ARG 11 18.637 5.292 -12.101 91 HE ARG 11 HE ARG 11 18.692 8.098 -11.602 92 HH11 ARG 11 HH11 ARG 11 17.174 5.123 -10.600 93 HH12 ARG 11 HH12 ARG 11 15.716 5.901 -10.091 94 HH21 ARG 11 HH21 ARG 11 16.775 9.087 -10.930 95 HH22 ARG 11 HH22 ARG 11 15.488 8.130 -10.276 96 H LYS 12 HN LYS 12 23.100 7.397 -11.208 97 HA LYS 12 HA LYS 12 22.667 9.730 -12.700 98 HB2 LYS 12 HB2 LYS 12 24.254 8.764 -14.317 99 HB3 LYS 12 HB1 LYS 12 24.820 8.553 -12.660 100 HG2 LYS 12 HG2 LYS 12 23.879 6.251 -12.657 101 HG3 LYS 12 HG1 LYS 12 23.404 6.465 -14.342 102 HD2 LYS 12 HD2 LYS 12 25.712 6.740 -15.023 103 HD3 LYS 12 HD1 LYS 12 26.252 6.738 -13.344 104 HE2 LYS 12 HE2 LYS 12 26.646 4.533 -14.299 105 HE3 LYS 12 HE1 LYS 12 25.352 4.416 -13.106 106 HZ1 LYS 12 HZ1 LYS 12 24.697 3.240 -15.057 107 HZ2 LYS 12 HZ2 LYS 12 25.054 4.568 -16.055 108 HZ3 LYS 12 HZ3 LYS 12 23.756 4.647 -14.962 109 H CYS 13 HN CYS 13 21.592 10.178 -14.571 110 HA CYS 13 HA CYS 13 19.378 8.504 -15.275 111 HB2 CYS 13 HB2 CYS 13 20.398 11.170 -16.011 112 HB3 CYS 13 HB1 CYS 13 19.530 10.331 -17.296 113 H ASN 14 HN ASN 14 20.412 6.530 -15.908 114 HA ASN 14 HA ASN 14 21.962 6.649 -18.403 115 HB2 ASN 14 HB2 ASN 14 22.421 4.236 -17.942 116 HB3 ASN 14 HB1 ASN 14 22.984 5.314 -16.665 117 HD21 ASN 14 HD21 ASN 14 22.005 5.123 -14.579 118 HD22 ASN 14 HD22 ASN 14 20.826 3.957 -14.219 119 H THR 15 HN THR 15 19.083 5.091 -17.002 120 HA THR 15 HA THR 15 18.236 3.514 -19.076 121 HB THR 15 HB THR 15 17.027 3.595 -16.977 122 HG1 THR 15 HG1 THR 15 14.938 3.690 -17.838 123 HG21 THR 15 HG21 THR 15 15.465 5.613 -16.634 124 HG22 THR 15 HG22 THR 15 16.484 6.447 -17.806 125 HG23 THR 15 HG23 THR 15 17.177 5.858 -16.295 126 H ALA 16 HN ALA 16 16.795 3.799 -20.837 127 HA ALA 16 HA ALA 16 17.325 6.125 -22.403 128 HB1 ALA 16 HB1 ALA 16 15.541 3.726 -22.774 129 HB2 ALA 16 HB2 ALA 16 17.062 4.095 -23.587 130 HB3 ALA 16 HB3 ALA 16 15.615 5.035 -23.954 131 H THR 17 HN THR 17 14.947 5.416 -20.036 132 HA THR 17 HA THR 17 12.781 6.933 -21.090 133 HB THR 17 HB THR 17 13.457 6.226 -18.225 134 HG1 THR 17 HG1 THR 17 13.102 4.382 -19.338 135 HG21 THR 17 HG21 THR 17 11.008 6.616 -17.879 136 HG22 THR 17 HG22 THR 17 10.922 7.266 -19.516 137 HG23 THR 17 HG23 THR 17 11.895 8.083 -18.293 138 H CYS 18 HN CYS 18 15.419 7.699 -18.840 139 HA CYS 18 HA CYS 18 14.614 10.345 -18.265 140 HB2 CYS 18 HB2 CYS 18 16.368 8.919 -17.058 141 HB3 CYS 18 HB1 CYS 18 17.478 9.399 -18.342 142 H ALA 19 HN ALA 19 16.770 8.992 -20.733 143 HA ALA 19 HA ALA 19 17.581 11.472 -21.843 144 HB1 ALA 19 HB1 ALA 19 18.615 9.129 -22.166 145 HB2 ALA 19 HB2 ALA 19 18.570 10.206 -23.562 146 HB3 ALA 19 HB3 ALA 19 17.384 8.909 -23.410 147 H THR 20 HN THR 20 14.865 9.314 -22.486 148 HA THR 20 HA THR 20 13.932 10.255 -24.897 149 HB THR 20 HB THR 20 12.316 9.467 -22.465 150 HG1 THR 20 HG1 THR 20 12.204 7.503 -23.770 151 HG21 THR 20 HG21 THR 20 11.560 9.876 -25.364 152 HG22 THR 20 HG22 THR 20 10.854 10.652 -23.946 153 HG23 THR 20 HG23 THR 20 10.578 8.935 -24.241 154 H GLN 21 HN GLN 21 13.365 11.676 -21.682 155 HA GLN 21 HA GLN 21 11.701 13.778 -22.695 156 HB2 GLN 21 HB2 GLN 21 11.438 14.406 -20.511 157 HB3 GLN 21 HB1 GLN 21 12.023 12.765 -20.241 158 HG2 GLN 21 HG2 GLN 21 14.379 13.775 -20.206 159 HG3 GLN 21 HG1 GLN 21 13.589 15.346 -20.092 160 HE21 GLN 21 HE21 GLN 21 15.129 13.364 -18.105 161 HE22 GLN 21 HE22 GLN 21 14.170 13.470 -16.709 162 H ARG 22 HN ARG 22 15.137 13.361 -22.281 163 HA ARG 22 HA ARG 22 15.776 16.157 -22.391 164 HB2 ARG 22 HB2 ARG 22 17.300 14.578 -21.316 165 HB3 ARG 22 HB1 ARG 22 17.503 13.709 -22.836 166 HG2 ARG 22 HG2 ARG 22 19.399 15.225 -22.466 167 HG3 ARG 22 HG1 ARG 22 18.465 15.753 -23.864 168 HD2 ARG 22 HD2 ARG 22 19.113 17.610 -22.281 169 HD3 ARG 22 HD1 ARG 22 17.384 17.483 -22.583 170 HE ARG 22 HE ARG 22 17.085 16.875 -20.359 171 HH11 ARG 22 HH11 ARG 22 20.458 16.682 -21.228 172 HH12 ARG 22 HH12 ARG 22 20.984 16.430 -19.600 173 HH21 ARG 22 HH21 ARG 22 17.802 16.545 -18.243 174 HH22 ARG 22 HH22 ARG 22 19.493 16.352 -17.920 175 H LEU 23 HN LEU 23 15.656 13.515 -24.732 176 HA LEU 23 HA LEU 23 16.587 15.227 -26.888 177 HB2 LEU 23 HB2 LEU 23 16.359 13.271 -28.308 178 HB3 LEU 23 HB1 LEU 23 17.184 12.816 -26.818 179 HG LEU 23 HG LEU 23 14.561 12.417 -26.132 180 HD11 LEU 23 HD11 LEU 23 13.919 12.886 -28.521 181 HD12 LEU 23 HD12 LEU 23 13.460 11.275 -27.970 182 HD13 LEU 23 HD13 LEU 23 14.876 11.484 -29.000 183 HD21 LEU 23 HD21 LEU 23 15.097 9.978 -26.626 184 HD22 LEU 23 HD22 LEU 23 16.296 10.826 -25.649 185 HD23 LEU 23 HD23 LEU 23 16.596 10.543 -27.364 186 H ALA 24 HN ALA 24 13.554 14.028 -25.620 187 HA ALA 24 HA ALA 24 11.893 14.528 -27.828 188 HB1 ALA 24 HB1 ALA 24 11.450 14.419 -24.862 189 HB2 ALA 24 HB2 ALA 24 10.851 13.336 -26.119 190 HB3 ALA 24 HB3 ALA 24 10.144 14.941 -25.927 191 H ASN 25 HN ASN 25 12.791 16.639 -25.101 192 HA ASN 25 HA ASN 25 11.291 18.882 -25.942 193 HB2 ASN 25 HB2 ASN 25 13.675 18.535 -24.138 194 HB3 ASN 25 HB1 ASN 25 13.021 20.132 -24.493 195 HD21 ASN 25 HD21 ASN 25 12.460 20.162 -22.099 196 HD22 ASN 25 HD22 ASN 25 11.031 19.395 -21.597 197 H PHE 26 HN PHE 26 14.622 17.861 -26.577 198 HA PHE 26 HA PHE 26 15.457 20.196 -27.931 199 HB2 PHE 26 HB2 PHE 26 17.019 18.484 -27.077 200 HB3 PHE 26 HB1 PHE 26 16.432 17.353 -28.296 201 HD1 PHE 26 HD1 PHE 26 18.104 20.649 -27.827 202 HD2 PHE 26 HD2 PHE 26 17.214 17.439 -30.540 203 HE1 PHE 26 HE1 PHE 26 19.678 21.612 -29.484 204 HE2 PHE 26 HE2 PHE 26 18.789 18.402 -32.196 205 HZ PHE 26 HZ PHE 26 20.021 20.488 -31.668 206 H LEU 27 HN LEU 27 13.833 17.258 -29.014 207 HA LEU 27 HA LEU 27 14.092 17.498 -31.760 208 HB2 LEU 27 HB2 LEU 27 13.091 15.546 -30.704 209 HB3 LEU 27 HB1 LEU 27 11.746 16.508 -30.114 210 HG LEU 27 HG LEU 27 11.471 15.026 -32.265 211 HD11 LEU 27 HD11 LEU 27 10.467 17.848 -32.571 212 HD12 LEU 27 HD12 LEU 27 9.912 16.845 -31.231 213 HD13 LEU 27 HD13 LEU 27 9.639 16.326 -32.892 214 HD21 LEU 27 HD21 LEU 27 13.525 16.213 -33.311 215 HD22 LEU 27 HD22 LEU 27 12.418 17.548 -33.622 216 HD23 LEU 27 HD23 LEU 27 12.107 15.965 -34.328 217 H VAL 28 HN VAL 28 11.285 18.622 -29.842 218 HA VAL 28 HA VAL 28 10.143 20.136 -31.926 219 HB VAL 28 HB VAL 28 8.740 21.120 -30.174 220 HG11 VAL 28 HG11 VAL 28 8.440 18.730 -31.015 221 HG12 VAL 28 HG12 VAL 28 7.713 19.085 -29.448 222 HG13 VAL 28 HG13 VAL 28 9.239 18.205 -29.533 223 HG21 VAL 28 HG21 VAL 28 10.651 19.711 -28.281 224 HG22 VAL 28 HG22 VAL 28 9.159 20.523 -27.808 225 HG23 VAL 28 HG23 VAL 28 10.497 21.457 -28.476 226 H HIS 29 HN HIS 29 12.774 20.796 -29.795 227 HA HIS 29 HA HIS 29 12.590 23.692 -30.206 228 HB2 HIS 29 HB2 HIS 29 13.138 22.690 -27.953 229 HB3 HIS 29 HB1 HIS 29 14.679 22.174 -28.640 230 HD1 HIS 29 HD1 HIS 29 12.665 25.421 -28.443 231 HD2 HIS 29 HD2 HIS 29 16.620 24.105 -28.339 232 HE1 HIS 29 HE1 HIS 29 14.094 27.476 -28.055 233 HE2 HIS 29 HE2 HIS 29 16.508 26.690 -27.989 234 H SER 30 HN SER 30 13.807 21.151 -31.960 235 HA SER 30 HA SER 30 16.052 22.780 -32.997 236 HB2 SER 30 HB2 SER 30 16.748 20.643 -31.935 237 HB3 SER 30 HB1 SER 30 15.724 19.773 -33.073 238 HG SER 30 HG SER 30 17.545 19.823 -34.179 239 H SER 31 HN SER 31 13.012 22.453 -33.684 240 HA SER 31 HA SER 31 12.861 21.268 -36.244 241 HB2 SER 31 HB2 SER 31 10.870 21.750 -34.906 242 HB3 SER 31 HB1 SER 31 11.186 23.479 -35.032 243 HG SER 31 HG SER 31 10.614 21.656 -37.135 244 H ASN 32 HN ASN 32 13.389 24.586 -35.167 245 HA ASN 32 HA ASN 32 13.442 25.856 -37.666 246 HB2 ASN 32 HB2 ASN 32 15.005 27.510 -36.415 247 HB3 ASN 32 HB1 ASN 32 13.348 27.316 -35.848 248 HD21 ASN 32 HD21 ASN 32 16.595 27.249 -34.837 249 HD22 ASN 32 HD22 ASN 32 16.367 26.454 -33.355 250 H ASN 33 HN ASN 33 16.263 24.869 -35.698 251 HA ASN 33 HA ASN 33 18.182 25.350 -37.693 252 HB2 ASN 33 HB2 ASN 33 18.189 23.507 -35.301 253 HB3 ASN 33 HB1 ASN 33 19.598 23.754 -36.331 254 HD21 ASN 33 HD21 ASN 33 19.930 26.334 -36.747 255 HD22 ASN 33 HD22 ASN 33 19.881 27.263 -35.327 256 H PHE 34 HN PHE 34 16.382 22.384 -36.879 257 HA PHE 34 HA PHE 34 17.683 20.565 -38.476 258 HB2 PHE 34 HB2 PHE 34 15.856 19.926 -36.999 259 HB3 PHE 34 HB1 PHE 34 14.705 20.814 -37.998 260 HD1 PHE 34 HD1 PHE 34 17.237 18.062 -38.160 261 HD2 PHE 34 HD2 PHE 34 13.655 19.757 -39.817 262 HE1 PHE 34 HE1 PHE 34 16.973 16.076 -39.622 263 HE2 PHE 34 HE2 PHE 34 13.392 17.772 -41.279 264 HZ PHE 34 HZ PHE 34 15.051 15.931 -41.182 265 H GLY 35 HN GLY 35 15.151 22.872 -39.440 266 HA2 GLY 35 HA2 GLY 35 14.858 22.008 -42.094 267 HA3 GLY 35 HA1 GLY 35 14.494 23.628 -41.521 268 H ALA 36 HN ALA 36 17.099 24.257 -40.584 269 HA ALA 36 HA ALA 36 18.252 25.386 -42.883 270 HB1 ALA 36 HB1 ALA 36 20.036 26.099 -41.474 271 HB2 ALA 36 HB2 ALA 36 19.755 24.784 -40.334 272 HB3 ALA 36 HB3 ALA 36 18.591 26.102 -40.464 273 H ILE 37 HN ILE 37 19.070 22.436 -41.090 274 HA ILE 37 HA ILE 37 21.350 21.781 -42.679 275 HB ILE 37 HB ILE 37 19.591 20.129 -40.857 276 HG12 ILE 37 HG12 ILE 37 22.471 21.013 -40.533 277 HG13 ILE 37 HG11 ILE 37 21.110 21.961 -39.931 278 HG21 ILE 37 HG21 ILE 37 21.523 18.476 -41.017 279 HG22 ILE 37 HG22 ILE 37 22.069 19.382 -42.428 280 HG23 ILE 37 HG23 ILE 37 20.498 18.581 -42.448 281 HD11 ILE 37 HD11 ILE 37 21.907 19.158 -39.117 282 HD12 ILE 37 HD12 ILE 37 20.350 19.871 -38.697 283 HD13 ILE 37 HD13 ILE 37 21.842 20.597 -38.101 284 H LEU 38 HN LEU 38 17.933 20.832 -42.793 285 HA LEU 38 HA LEU 38 18.130 18.912 -44.829 286 HB2 LEU 38 HB2 LEU 38 16.092 19.235 -43.500 287 HB3 LEU 38 HB1 LEU 38 15.855 20.822 -44.231 288 HG LEU 38 HG LEU 38 15.705 19.734 -46.470 289 HD11 LEU 38 HD11 LEU 38 16.986 17.733 -46.143 290 HD12 LEU 38 HD12 LEU 38 15.322 17.216 -46.419 291 HD13 LEU 38 HD13 LEU 38 15.980 17.236 -44.783 292 HD21 LEU 38 HD21 LEU 38 13.699 20.169 -44.964 293 HD22 LEU 38 HD22 LEU 38 13.779 18.468 -44.506 294 HD23 LEU 38 HD23 LEU 38 13.466 18.915 -46.183 295 H SER 39 HN SER 39 17.365 22.375 -45.034 296 HA SER 39 HA SER 39 17.133 22.654 -47.778 297 HB2 SER 39 HB2 SER 39 16.664 24.465 -46.167 298 HB3 SER 39 HB1 SER 39 18.390 24.626 -45.854 299 HG SER 39 HG SER 39 18.694 25.369 -47.885 300 H SER 40 HN SER 40 19.982 22.146 -45.854 301 HA SER 40 HA SER 40 21.775 22.821 -48.065 302 HB2 SER 40 HB2 SER 40 22.322 21.867 -45.246 303 HB3 SER 40 HB1 SER 40 23.566 22.269 -46.427 304 HG SER 40 HG SER 40 23.103 24.338 -46.222 305 H THR 41 HN THR 41 19.884 20.543 -48.227 306 HA THR 41 HA THR 41 21.567 18.177 -48.068 307 HB THR 41 HB THR 41 19.165 18.054 -47.486 308 HG1 THR 41 HG1 THR 41 19.803 16.614 -49.840 309 HG21 THR 41 HG21 THR 41 17.443 18.466 -49.012 310 HG22 THR 41 HG22 THR 41 18.502 18.301 -50.409 311 HG23 THR 41 HG23 THR 41 18.584 19.750 -49.408 312 H ASN 42 HN ASN 42 22.750 19.972 -49.757 313 HA ASN 42 HA ASN 42 22.024 19.267 -52.498 314 HB2 ASN 42 HB2 ASN 42 23.668 20.915 -53.160 315 HB3 ASN 42 HB1 ASN 42 22.649 21.604 -51.897 316 HD21 ASN 42 HD21 ASN 42 25.139 22.774 -52.229 317 HD22 ASN 42 HD22 ASN 42 26.171 22.336 -50.954 318 H VAL 43 HN VAL 43 23.252 17.357 -50.454 319 HA VAL 43 HA VAL 43 25.830 16.747 -51.681 320 HB VAL 43 HB VAL 43 25.309 16.617 -49.167 321 HG11 VAL 43 HG11 VAL 43 24.200 13.907 -49.921 322 HG12 VAL 43 HG12 VAL 43 23.155 15.298 -49.635 323 HG13 VAL 43 HG13 VAL 43 24.189 14.691 -48.342 324 HG21 VAL 43 HG21 VAL 43 26.425 14.070 -50.363 325 HG22 VAL 43 HG22 VAL 43 26.915 14.882 -48.877 326 HG23 VAL 43 HG23 VAL 43 27.298 15.600 -50.440 327 H GLY 44 HN GLY 44 23.095 16.430 -53.032 328 HA2 GLY 44 HA2 GLY 44 22.487 15.018 -54.788 329 HA3 GLY 44 HA1 GLY 44 23.690 13.855 -54.239 330 H SER 45 HN SER 45 21.519 15.137 -51.877 331 HA SER 45 HA SER 45 19.983 12.609 -51.924 332 HB2 SER 45 HB2 SER 45 19.787 12.874 -49.456 333 HB3 SER 45 HB1 SER 45 21.450 12.652 -49.991 334 HG SER 45 HG SER 45 21.635 14.396 -48.758 335 H ASN 46 HN ASN 46 19.380 15.187 -53.237 336 HA ASN 46 HA ASN 46 17.105 16.180 -51.673 337 HB2 ASN 46 HB2 ASN 46 17.011 17.992 -53.271 338 HB3 ASN 46 HB1 ASN 46 18.681 17.794 -52.742 339 HD21 ASN 46 HD21 ASN 46 18.258 19.062 -55.194 340 HD22 ASN 46 HD22 ASN 46 18.719 18.032 -56.462 341 H THR 47 HN THR 47 17.180 13.506 -52.985 342 HA THR 47 HA THR 47 15.207 13.773 -55.129 343 HB THR 47 HB THR 47 16.171 11.153 -54.028 344 HG1 THR 47 HG1 THR 47 17.896 11.424 -55.617 345 HG21 THR 47 HG21 THR 47 14.397 11.319 -55.802 346 HG22 THR 47 HG22 THR 47 15.833 10.432 -56.312 347 HG23 THR 47 HG23 THR 47 15.588 12.094 -56.846 348 H TYR 48 HN TYR 48 14.567 14.470 -52.316 349 HA TYR 48 HA TYR 48 12.461 12.459 -51.802 350 HB2 TYR 48 HB2 TYR 48 12.524 13.110 -49.477 351 HB3 TYR 48 HB1 TYR 48 14.170 12.745 -49.994 352 HD1 TYR 48 HD1 TYR 48 11.895 15.313 -48.782 353 HD2 TYR 48 HD2 TYR 48 15.744 14.619 -50.558 354 HE1 TYR 48 HE1 TYR 48 12.607 17.597 -48.130 355 HE2 TYR 48 HE2 TYR 48 16.456 16.903 -49.905 356 HH TYR 48 HH TYR 48 15.748 18.589 -48.051 357 H GLY 49 HN GLY 49 12.497 14.905 -53.604 358 HA2 GLY 49 HA2 GLY 49 10.879 16.929 -52.466 359 HA3 GLY 49 HA1 GLY 49 11.077 16.619 -54.188 360 H LYS 50 HN LYS 50 8.641 17.413 -53.031 361 HA LYS 50 HA LYS 50 6.886 15.280 -52.444 362 HB2 LYS 50 HB2 LYS 50 6.397 18.050 -53.546 363 HB3 LYS 50 HB1 LYS 50 5.097 16.939 -53.113 364 HG2 LYS 50 HG2 LYS 50 6.129 16.755 -50.818 365 HG3 LYS 50 HG1 LYS 50 7.237 18.047 -51.278 366 HD2 LYS 50 HD2 LYS 50 4.239 18.356 -51.503 367 HD3 LYS 50 HD1 LYS 50 5.112 18.757 -50.024 368 HE2 LYS 50 HE2 LYS 50 5.843 19.898 -52.732 369 HE3 LYS 50 HE1 LYS 50 4.745 20.703 -51.613 370 HZ1 LYS 50 HZ1 LYS 50 7.264 19.817 -50.474 371 HZ2 LYS 50 HZ2 LYS 50 6.412 21.268 -50.242 372 HZ3 LYS 50 HZ3 LYS 50 7.386 21.062 -51.619 373 H ARG 51 HN ARG 51 8.010 16.664 -55.462 374 HA ARG 51 HA ARG 51 6.080 15.648 -57.218 375 HB2 ARG 51 HB2 ARG 51 7.685 15.993 -58.960 376 HB3 ARG 51 HB1 ARG 51 7.934 17.272 -57.772 377 HG2 ARG 51 HG2 ARG 51 9.738 15.851 -56.731 378 HG3 ARG 51 HG1 ARG 51 9.564 14.737 -58.088 379 HD2 ARG 51 HD2 ARG 51 10.062 16.600 -59.652 380 HD3 ARG 51 HD1 ARG 51 10.302 17.671 -58.275 381 HE ARG 51 HE ARG 51 12.135 15.647 -59.233 382 HH11 ARG 51 HH11 ARG 51 11.109 17.571 -56.509 383 HH12 ARG 51 HH12 ARG 51 12.638 17.463 -55.708 384 HH21 ARG 51 HH21 ARG 51 14.120 15.525 -58.162 385 HH22 ARG 51 HH22 ARG 51 14.332 16.313 -56.635 386 H ASN 52 HN ASN 52 8.406 13.974 -55.337 387 HA ASN 52 HA ASN 52 8.632 11.684 -57.084 388 HB2 ASN 52 HB2 ASN 52 10.177 12.625 -55.060 389 HB3 ASN 52 HB1 ASN 52 9.267 11.374 -54.215 390 HD21 ASN 52 HD21 ASN 52 8.982 9.401 -56.163 391 HD22 ASN 52 HD22 ASN 52 10.510 8.845 -56.652 392 H ALA 53 HN ALA 53 6.524 12.723 -54.508 393 HA ALA 53 HA ALA 53 5.504 10.243 -53.676 394 HB1 ALA 53 HB1 ALA 53 3.399 11.669 -53.188 395 HB2 ALA 53 HB2 ALA 53 4.374 13.030 -53.742 396 HB3 ALA 53 HB3 ALA 53 4.896 12.081 -52.350 397 H VAL 54 HN VAL 54 4.255 12.472 -56.177 398 HA VAL 54 HA VAL 54 2.162 10.738 -57.023 399 HB VAL 54 HB VAL 54 2.403 13.256 -57.456 400 HG11 VAL 54 HG11 VAL 54 3.963 12.257 -59.851 401 HG12 VAL 54 HG12 VAL 54 4.727 12.979 -58.436 402 HG13 VAL 54 HG13 VAL 54 3.615 13.930 -59.417 403 HG21 VAL 54 HG21 VAL 54 1.287 12.998 -59.726 404 HG22 VAL 54 HG22 VAL 54 0.578 12.030 -58.433 405 HG23 VAL 54 HG23 VAL 54 1.643 11.274 -59.618 406 H GLU 55 HN GLU 55 5.550 11.007 -57.864 407 HA GLU 55 HA GLU 55 5.481 9.516 -60.274 408 HB2 GLU 55 HB2 GLU 55 7.395 10.940 -59.414 409 HB3 GLU 55 HB1 GLU 55 7.774 9.618 -58.309 410 HG2 GLU 55 HG2 GLU 55 7.438 9.081 -61.250 411 HG3 GLU 55 HG1 GLU 55 8.967 9.701 -60.634 412 H VAL 56 HN VAL 56 6.118 8.534 -56.904 413 HA VAL 56 HA VAL 56 6.327 5.750 -57.622 414 HB VAL 56 HB VAL 56 7.349 7.096 -55.574 415 HG11 VAL 56 HG11 VAL 56 4.980 7.565 -54.732 416 HG12 VAL 56 HG12 VAL 56 6.099 6.884 -53.553 417 HG13 VAL 56 HG13 VAL 56 4.892 5.852 -54.320 418 HG21 VAL 56 HG21 VAL 56 7.784 4.976 -54.528 419 HG22 VAL 56 HG22 VAL 56 7.668 4.669 -56.261 420 HG23 VAL 56 HG23 VAL 56 6.313 4.273 -55.202 421 H LEU 57 HN LEU 57 3.777 7.885 -56.508 422 HA LEU 57 HA LEU 57 1.956 5.963 -55.568 423 HB2 LEU 57 HB2 LEU 57 1.886 8.771 -56.318 424 HB3 LEU 57 HB1 LEU 57 0.406 7.935 -56.786 425 HG LEU 57 HG LEU 57 0.395 6.940 -54.428 426 HD11 LEU 57 HD11 LEU 57 2.828 7.620 -54.044 427 HD12 LEU 57 HD12 LEU 57 1.708 8.000 -52.736 428 HD13 LEU 57 HD13 LEU 57 2.236 9.269 -53.841 429 HD21 LEU 57 HD21 LEU 57 -1.103 8.781 -55.175 430 HD22 LEU 57 HD22 LEU 57 0.129 9.952 -54.705 431 HD23 LEU 57 HD23 LEU 57 -0.650 8.951 -53.479 432 H LYS 58 HN LYS 58 2.454 7.245 -58.857 433 HA LYS 58 HA LYS 58 0.322 5.769 -60.015 434 HB2 LYS 58 HB2 LYS 58 2.804 7.034 -61.190 435 HB3 LYS 58 HB1 LYS 58 1.594 6.215 -62.178 436 HG2 LYS 58 HG2 LYS 58 0.844 8.406 -60.237 437 HG3 LYS 58 HG1 LYS 58 1.324 8.757 -61.898 438 HD2 LYS 58 HD2 LYS 58 -0.456 7.129 -62.659 439 HD3 LYS 58 HD1 LYS 58 -1.013 7.060 -60.987 440 HE2 LYS 58 HE2 LYS 58 -0.761 9.625 -62.581 441 HE3 LYS 58 HE1 LYS 58 -2.266 8.726 -62.389 442 HZ1 LYS 58 HZ1 LYS 58 -0.627 9.813 -60.164 443 HZ2 LYS 58 HZ2 LYS 58 -2.108 8.995 -60.010 444 HZ3 LYS 58 HZ3 LYS 58 -2.049 10.516 -60.763 445 H ARG 59 HN ARG 59 3.755 5.108 -59.529 446 HA ARG 59 HA ARG 59 3.891 2.720 -61.039 447 HB2 ARG 59 HB2 ARG 59 5.814 4.130 -60.063 448 HB3 ARG 59 HB1 ARG 59 5.526 3.247 -58.563 449 HG2 ARG 59 HG2 ARG 59 5.654 1.530 -60.951 450 HG3 ARG 59 HG1 ARG 59 7.160 2.376 -60.595 451 HD2 ARG 59 HD2 ARG 59 7.041 1.551 -58.254 452 HD3 ARG 59 HD1 ARG 59 5.581 0.656 -58.662 453 HE ARG 59 HE ARG 59 7.521 -0.134 -60.492 454 HH11 ARG 59 HH11 ARG 59 7.052 -0.185 -57.036 455 HH12 ARG 59 HH12 ARG 59 7.987 -1.622 -56.812 456 HH21 ARG 59 HH21 ARG 59 8.734 -2.012 -60.169 457 HH22 ARG 59 HH22 ARG 59 8.934 -2.652 -58.573 458 H GLU 60 HN GLU 60 2.621 3.453 -57.894 459 HA GLU 60 HA GLU 60 2.296 0.577 -57.307 460 HB2 GLU 60 HB2 GLU 60 2.175 2.996 -55.495 461 HB3 GLU 60 HB1 GLU 60 1.840 1.342 -54.981 462 HG2 GLU 60 HG2 GLU 60 4.432 2.135 -56.322 463 HG3 GLU 60 HG1 GLU 60 4.220 2.167 -54.572 464 HA PRO 61 HA PRO 61 -1.900 2.105 -58.615 465 HB2 PRO 61 HB2 PRO 61 -2.654 -0.315 -59.702 466 HB3 PRO 61 HB1 PRO 61 -1.848 0.982 -60.603 467 HG2 PRO 61 HG2 PRO 61 -0.714 -1.505 -59.442 468 HG3 PRO 61 HG1 PRO 61 -0.313 -0.676 -60.956 469 HD2 PRO 61 HD2 PRO 61 1.246 -0.502 -58.727 470 HD3 PRO 61 HD1 PRO 61 1.127 0.810 -59.920 471 H LEU 62 HN LEU 62 -0.706 -0.196 -56.433 472 HA LEU 62 HA LEU 62 -3.007 -1.572 -55.618 473 HB2 LEU 62 HB2 LEU 62 -0.657 -2.056 -54.872 474 HB3 LEU 62 HB1 LEU 62 -0.756 -0.641 -53.822 475 HG LEU 62 HG LEU 62 -3.030 -2.516 -53.602 476 HD11 LEU 62 HD11 LEU 62 -1.194 -4.124 -53.874 477 HD12 LEU 62 HD12 LEU 62 -1.737 -4.103 -52.197 478 HD13 LEU 62 HD13 LEU 62 -0.249 -3.273 -52.652 479 HD21 LEU 62 HD21 LEU 62 -2.476 -2.093 -51.148 480 HD22 LEU 62 HD22 LEU 62 -2.892 -0.659 -52.087 481 HD23 LEU 62 HD23 LEU 62 -1.205 -1.009 -51.712 482 H ASN 63 HN ASN 63 -1.747 1.602 -54.666 483 HA ASN 63 HA ASN 63 -3.753 2.075 -52.684 484 HB2 ASN 63 HB2 ASN 63 -2.829 4.229 -52.477 485 HB3 ASN 63 HB1 ASN 63 -1.458 3.222 -52.938 486 HD21 ASN 63 HD21 ASN 63 -2.439 6.207 -53.522 487 HD22 ASN 63 HD22 ASN 63 -2.100 6.363 -55.178 488 H TYR 64 HN TYR 64 -3.820 2.113 -56.092 489 HA TYR 64 HA TYR 64 -5.783 4.178 -56.444 490 HB2 TYR 64 HB2 TYR 64 -4.197 3.336 -58.226 491 HB3 TYR 64 HB1 TYR 64 -5.188 1.879 -58.313 492 HD1 TYR 64 HD1 TYR 64 -5.202 5.564 -58.765 493 HD2 TYR 64 HD2 TYR 64 -7.336 1.886 -59.378 494 HE1 TYR 64 HE1 TYR 64 -6.809 6.742 -60.242 495 HE2 TYR 64 HE2 TYR 64 -8.942 3.065 -60.856 496 HH TYR 64 HH TYR 64 -8.580 5.523 -62.373 497 H LEU 65 HN LEU 65 -5.827 0.704 -55.926 498 HA LEU 65 HA LEU 65 -8.614 0.361 -56.487 499 HB2 LEU 65 HB2 LEU 65 -6.634 -1.362 -54.979 500 HB3 LEU 65 HB1 LEU 65 -8.277 -1.859 -55.377 501 HG LEU 65 HG LEU 65 -6.280 -0.939 -57.457 502 HD11 LEU 65 HD11 LEU 65 -5.977 -3.333 -57.977 503 HD12 LEU 65 HD12 LEU 65 -7.008 -3.761 -56.612 504 HD13 LEU 65 HD13 LEU 65 -5.454 -2.976 -56.331 505 HD21 LEU 65 HD21 LEU 65 -7.910 -2.268 -58.918 506 HD22 LEU 65 HD22 LEU 65 -8.529 -0.755 -58.258 507 HD23 LEU 65 HD23 LEU 65 -8.990 -2.291 -57.524 508 HA PRO 66 HA PRO 66 -10.630 1.634 -52.785 509 HB2 PRO 66 HB2 PRO 66 -11.713 -1.127 -52.465 510 HB3 PRO 66 HB1 PRO 66 -12.574 0.421 -52.546 511 HG2 PRO 66 HG2 PRO 66 -12.566 -1.272 -54.598 512 HG3 PRO 66 HG1 PRO 66 -12.527 0.483 -54.839 513 HD2 PRO 66 HD2 PRO 66 -10.321 -1.509 -55.146 514 HD3 PRO 66 HD1 PRO 66 -10.613 0.001 -56.036 515 H LEU 67 HN LEU 67 -10.107 1.775 -50.644 516 HA LEU 67 HA LEU 67 -9.162 -0.444 -49.099 517 HB2 LEU 67 HB2 LEU 67 -7.220 1.086 -50.589 518 HB3 LEU 67 HB1 LEU 67 -6.957 1.286 -48.856 519 HG LEU 67 HG LEU 67 -7.362 -1.415 -50.163 520 HD11 LEU 67 HD11 LEU 67 -4.817 0.102 -49.530 521 HD12 LEU 67 HD12 LEU 67 -5.338 -0.501 -51.103 522 HD13 LEU 67 HD13 LEU 67 -4.863 -1.634 -49.838 523 HD21 LEU 67 HD21 LEU 67 -7.832 -1.439 -47.799 524 HD22 LEU 67 HD22 LEU 67 -6.400 -0.471 -47.448 525 HD23 LEU 67 HD23 LEU 67 -6.224 -2.133 -48.011 Start of MODEL 15 1 H1 THR 1 HT1 THR 1 -3.577 -4.845 0.032 2 H2 THR 1 HT2 THR 1 -3.619 -3.159 0.242 3 H3 THR 1 HT3 THR 1 -3.871 -4.190 1.569 4 HA THR 1 HA THR 1 -1.626 -4.967 1.486 5 HB THR 1 HB THR 1 -1.821 -4.155 -1.190 6 HG1 THR 1 HG1 THR 1 -0.082 -5.483 0.421 7 HG21 THR 1 HG21 THR 1 0.004 -2.601 -1.542 8 HG22 THR 1 HG22 THR 1 0.343 -2.543 0.185 9 HG23 THR 1 HG23 THR 1 -1.160 -1.864 -0.443 10 HA PRO 2 HA PRO 2 -0.757 -1.489 4.048 11 HB2 PRO 2 HB2 PRO 2 1.952 -1.602 4.335 12 HB3 PRO 2 HB1 PRO 2 0.852 -2.778 5.078 13 HG2 PRO 2 HG2 PRO 2 2.518 -3.029 2.629 14 HG3 PRO 2 HG1 PRO 2 2.153 -4.232 3.877 15 HD2 PRO 2 HD2 PRO 2 0.902 -4.149 1.423 16 HD3 PRO 2 HD1 PRO 2 0.171 -4.856 2.880 17 H ILE 3 HN ILE 3 0.249 0.636 4.183 18 HA ILE 3 HA ILE 3 0.151 2.157 1.886 19 HB ILE 3 HB ILE 3 0.193 3.026 4.238 20 HG12 ILE 3 HG12 ILE 3 1.647 5.039 3.641 21 HG13 ILE 3 HG11 ILE 3 2.064 4.183 2.157 22 HG21 ILE 3 HG21 ILE 3 2.222 1.629 4.865 23 HG22 ILE 3 HG22 ILE 3 2.291 3.317 5.371 24 HG23 ILE 3 HG23 ILE 3 3.198 2.782 3.956 25 HD11 ILE 3 HD11 ILE 3 -0.802 4.674 2.991 26 HD12 ILE 3 HD12 ILE 3 -0.204 4.175 1.408 27 HD13 ILE 3 HD13 ILE 3 0.101 5.811 1.991 28 H GLU 4 HN GLU 4 1.512 2.667 0.258 29 HA GLU 4 HA GLU 4 3.808 1.033 -0.203 30 HB2 GLU 4 HB2 GLU 4 4.081 2.369 -2.243 31 HB3 GLU 4 HB1 GLU 4 2.399 1.878 -2.039 32 HG2 GLU 4 HG2 GLU 4 1.875 4.078 -1.049 33 HG3 GLU 4 HG1 GLU 4 3.554 4.572 -1.262 34 H SER 5 HN SER 5 5.940 2.050 -0.855 35 HA SER 5 HA SER 5 6.996 3.485 1.383 36 HB2 SER 5 HB2 SER 5 9.118 3.313 0.254 37 HB3 SER 5 HB1 SER 5 8.264 1.788 0.035 38 HG SER 5 HG SER 5 8.086 2.190 -2.034 39 H HIS 6 HN HIS 6 8.454 5.445 0.961 40 HA HIS 6 HA HIS 6 6.932 7.661 0.310 41 HB2 HIS 6 HB2 HIS 6 8.979 8.929 0.327 42 HB3 HIS 6 HB1 HIS 6 9.122 7.663 1.546 43 HD1 HIS 6 HD1 HIS 6 10.337 8.605 -1.898 44 HD2 HIS 6 HD2 HIS 6 11.086 5.705 1.002 45 HE1 HIS 6 HE1 HIS 6 12.424 7.375 -2.637 46 HE2 HIS 6 HE2 HIS 6 12.894 5.604 -0.880 47 H GLN 7 HN GLN 7 8.732 5.532 -1.784 48 HA GLN 7 HA GLN 7 8.799 7.254 -4.064 49 HB2 GLN 7 HB2 GLN 7 10.336 5.354 -3.836 50 HB3 GLN 7 HB1 GLN 7 8.973 4.236 -3.890 51 HG2 GLN 7 HG2 GLN 7 8.406 4.975 -6.146 52 HG3 GLN 7 HG1 GLN 7 9.683 6.189 -6.097 53 HE21 GLN 7 HE21 GLN 7 9.042 3.158 -7.304 54 HE22 GLN 7 HE22 GLN 7 10.623 2.546 -7.370 55 H VAL 8 HN VAL 8 7.269 7.661 -5.546 56 HA VAL 8 HA VAL 8 4.926 5.881 -5.697 57 HB VAL 8 HB VAL 8 4.356 7.803 -4.238 58 HG11 VAL 8 HG11 VAL 8 4.839 9.478 -6.717 59 HG12 VAL 8 HG12 VAL 8 5.965 9.385 -5.363 60 HG13 VAL 8 HG13 VAL 8 4.351 10.054 -5.123 61 HG21 VAL 8 HG21 VAL 8 2.603 6.781 -5.610 62 HG22 VAL 8 HG22 VAL 8 3.059 7.789 -6.983 63 HG23 VAL 8 HG23 VAL 8 2.356 8.526 -5.544 64 H GLU 9 HN GLU 9 4.059 5.647 -7.716 65 HA GLU 9 HA GLU 9 5.080 7.341 -9.889 66 HB2 GLU 9 HB2 GLU 9 5.213 5.031 -11.191 67 HB3 GLU 9 HB1 GLU 9 6.581 5.630 -10.255 68 HG2 GLU 9 HG2 GLU 9 6.041 3.226 -9.795 69 HG3 GLU 9 HG1 GLU 9 5.967 4.245 -8.360 70 H LYS 10 HN LYS 10 2.700 7.906 -9.168 71 HA LYS 10 HA LYS 10 0.531 6.294 -9.868 72 HB2 LYS 10 HB2 LYS 10 -0.760 8.371 -9.998 73 HB3 LYS 10 HB1 LYS 10 0.325 8.407 -8.608 74 HG2 LYS 10 HG2 LYS 10 1.963 9.712 -9.928 75 HG3 LYS 10 HG1 LYS 10 0.854 9.700 -11.300 76 HD2 LYS 10 HD2 LYS 10 -0.839 10.879 -9.949 77 HD3 LYS 10 HD1 LYS 10 0.265 10.892 -8.574 78 HE2 LYS 10 HE2 LYS 10 1.887 12.211 -9.883 79 HE3 LYS 10 HE1 LYS 10 0.788 12.198 -11.262 80 HZ1 LYS 10 HZ1 LYS 10 0.392 14.215 -10.181 81 HZ2 LYS 10 HZ2 LYS 10 0.421 13.509 -8.636 82 HZ3 LYS 10 HZ3 LYS 10 -0.886 13.218 -9.682 83 H ARG 11 HN ARG 11 -0.805 6.241 -11.721 84 HA ARG 11 HA ARG 11 0.257 7.393 -14.190 85 HB2 ARG 11 HB2 ARG 11 -0.203 5.060 -15.275 86 HB3 ARG 11 HB1 ARG 11 1.329 5.350 -14.460 87 HG2 ARG 11 HG2 ARG 11 0.492 3.198 -13.743 88 HG3 ARG 11 HG1 ARG 11 0.342 4.302 -12.383 89 HD2 ARG 11 HD2 ARG 11 -1.995 4.203 -14.198 90 HD3 ARG 11 HD1 ARG 11 -1.683 2.726 -13.292 91 HE ARG 11 HE ARG 11 -2.691 5.184 -12.231 92 HH11 ARG 11 HH11 ARG 11 -0.672 2.431 -11.516 93 HH12 ARG 11 HH12 ARG 11 -0.930 2.536 -9.809 94 HH21 ARG 11 HH21 ARG 11 -3.012 5.296 -9.997 95 HH22 ARG 11 HH22 ARG 11 -2.246 4.146 -8.952 96 H LYS 12 HN LYS 12 -1.319 6.650 -16.069 97 HA LYS 12 HA LYS 12 -4.086 6.844 -15.040 98 HB2 LYS 12 HB2 LYS 12 -4.619 8.335 -16.905 99 HB3 LYS 12 HB1 LYS 12 -3.313 9.017 -15.935 100 HG2 LYS 12 HG2 LYS 12 -1.661 8.089 -17.541 101 HG3 LYS 12 HG1 LYS 12 -2.989 7.479 -18.528 102 HD2 LYS 12 HD2 LYS 12 -3.813 9.737 -18.905 103 HD3 LYS 12 HD1 LYS 12 -2.603 10.397 -17.805 104 HE2 LYS 12 HE2 LYS 12 -1.765 10.724 -20.034 105 HE3 LYS 12 HE1 LYS 12 -0.831 9.407 -19.326 106 HZ1 LYS 12 HZ1 LYS 12 -2.859 9.329 -21.433 107 HZ2 LYS 12 HZ2 LYS 12 -2.755 7.994 -20.388 108 HZ3 LYS 12 HZ3 LYS 12 -1.403 8.469 -21.299 109 H CYS 13 HN CYS 13 -5.718 5.970 -16.400 110 HA CYS 13 HA CYS 13 -6.526 4.015 -17.383 111 HB2 CYS 13 HB2 CYS 13 -5.103 5.613 -19.495 112 HB3 CYS 13 HB1 CYS 13 -6.010 4.156 -19.901 113 H ASN 14 HN ASN 14 -5.197 2.482 -16.175 114 HA ASN 14 HA ASN 14 -2.952 1.357 -17.718 115 HB2 ASN 14 HB2 ASN 14 -2.376 0.178 -15.635 116 HB3 ASN 14 HB1 ASN 14 -2.465 1.920 -15.378 117 HD21 ASN 14 HD21 ASN 14 -3.601 2.459 -13.516 118 HD22 ASN 14 HD22 ASN 14 -4.872 1.551 -12.852 119 H THR 15 HN THR 15 -5.782 0.977 -18.423 120 HA THR 15 HA THR 15 -5.758 -1.951 -18.465 121 HB THR 15 HB THR 15 -7.146 -1.322 -16.506 122 HG1 THR 15 HG1 THR 15 -7.663 -3.153 -17.785 123 HG21 THR 15 HG21 THR 15 -9.165 -0.050 -16.778 124 HG22 THR 15 HG22 THR 15 -8.979 -0.023 -18.531 125 HG23 THR 15 HG23 THR 15 -7.865 0.888 -17.512 126 H ALA 16 HN ALA 16 -6.901 -2.852 -20.200 127 HA ALA 16 HA ALA 16 -6.948 -1.351 -22.579 128 HB1 ALA 16 HB1 ALA 16 -8.005 -4.045 -21.782 129 HB2 ALA 16 HB2 ALA 16 -6.688 -3.647 -22.887 130 HB3 ALA 16 HB3 ALA 16 -8.361 -3.384 -23.378 131 H THR 17 HN THR 17 -9.325 -1.750 -20.090 132 HA THR 17 HA THR 17 -11.685 -1.310 -21.546 133 HB THR 17 HB THR 17 -11.018 -0.500 -18.706 134 HG1 THR 17 HG1 THR 17 -10.816 -2.709 -19.062 135 HG21 THR 17 HG21 THR 17 -13.525 -0.668 -18.447 136 HG22 THR 17 HG22 THR 17 -13.635 -0.753 -20.205 137 HG23 THR 17 HG23 THR 17 -12.981 0.691 -19.431 138 H CYS 18 HN CYS 18 -9.344 0.961 -20.167 139 HA CYS 18 HA CYS 18 -10.789 3.333 -20.549 140 HB2 CYS 18 HB2 CYS 18 -8.720 3.244 -19.239 141 HB3 CYS 18 HB1 CYS 18 -7.797 2.894 -20.701 142 H ALA 19 HN ALA 19 -8.476 1.703 -22.719 143 HA ALA 19 HA ALA 19 -8.643 3.581 -24.816 144 HB1 ALA 19 HB1 ALA 19 -7.950 0.638 -24.823 145 HB2 ALA 19 HB2 ALA 19 -6.831 2.001 -24.790 146 HB3 ALA 19 HB3 ALA 19 -7.792 1.683 -26.235 147 H THR 20 HN THR 20 -10.440 0.590 -24.188 148 HA THR 20 HA THR 20 -11.893 0.329 -26.501 149 HB THR 20 HB THR 20 -12.902 -0.079 -23.678 150 HG1 THR 20 HG1 THR 20 -11.543 -1.727 -25.537 151 HG21 THR 20 HG21 THR 20 -13.872 -1.078 -26.366 152 HG22 THR 20 HG22 THR 20 -14.762 -0.082 -25.214 153 HG23 THR 20 HG23 THR 20 -14.389 -1.761 -24.825 154 H GLN 21 HN GLN 21 -12.621 2.479 -23.761 155 HA GLN 21 HA GLN 21 -15.006 3.488 -25.055 156 HB2 GLN 21 HB2 GLN 21 -15.524 4.412 -23.047 157 HB3 GLN 21 HB1 GLN 21 -14.318 3.269 -22.458 158 HG2 GLN 21 HG2 GLN 21 -12.589 5.114 -22.852 159 HG3 GLN 21 HG1 GLN 21 -13.954 6.211 -23.048 160 HE21 GLN 21 HE21 GLN 21 -14.814 7.084 -21.148 161 HE22 GLN 21 HE22 GLN 21 -14.482 6.503 -19.588 162 H ARG 22 HN ARG 22 -11.645 4.425 -24.834 163 HA ARG 22 HA ARG 22 -12.077 7.163 -25.560 164 HB2 ARG 22 HB2 ARG 22 -9.833 7.439 -25.320 165 HB3 ARG 22 HB1 ARG 22 -9.998 5.932 -24.431 166 HG2 ARG 22 HG2 ARG 22 -8.250 5.370 -25.824 167 HG3 ARG 22 HG1 ARG 22 -9.586 4.874 -26.850 168 HD2 ARG 22 HD2 ARG 22 -8.741 6.267 -28.416 169 HD3 ARG 22 HD1 ARG 22 -9.289 7.594 -27.396 170 HE ARG 22 HE ARG 22 -7.082 7.966 -26.774 171 HH11 ARG 22 HH11 ARG 22 -7.396 4.857 -28.322 172 HH12 ARG 22 HH12 ARG 22 -5.689 4.594 -28.406 173 HH21 ARG 22 HH21 ARG 22 -4.857 7.597 -26.899 174 HH22 ARG 22 HH22 ARG 22 -4.258 6.133 -27.605 175 H LEU 23 HN LEU 23 -11.706 4.199 -27.377 176 HA LEU 23 HA LEU 23 -11.210 5.626 -29.859 177 HB2 LEU 23 HB2 LEU 23 -11.121 3.467 -30.912 178 HB3 LEU 23 HB1 LEU 23 -10.226 3.367 -29.398 179 HG LEU 23 HG LEU 23 -12.740 2.684 -28.568 180 HD11 LEU 23 HD11 LEU 23 -13.424 2.731 -31.032 181 HD12 LEU 23 HD12 LEU 23 -13.762 1.228 -30.175 182 HD13 LEU 23 HD13 LEU 23 -12.371 1.335 -31.254 183 HD21 LEU 23 HD21 LEU 23 -11.874 0.339 -28.645 184 HD22 LEU 23 HD22 LEU 23 -10.687 1.483 -28.018 185 HD23 LEU 23 HD23 LEU 23 -10.555 0.895 -29.675 186 H ALA 24 HN ALA 24 -13.916 4.253 -28.132 187 HA ALA 24 HA ALA 24 -15.771 4.022 -30.214 188 HB1 ALA 24 HB1 ALA 24 -16.112 4.682 -27.288 189 HB2 ALA 24 HB2 ALA 24 -16.351 3.127 -28.084 190 HB3 ALA 24 HB3 ALA 24 -17.479 4.451 -28.378 191 H ASN 25 HN ASN 25 -15.138 6.808 -28.068 192 HA ASN 25 HA ASN 25 -17.005 8.546 -29.278 193 HB2 ASN 25 HB2 ASN 25 -15.929 8.880 -27.041 194 HB3 ASN 25 HB1 ASN 25 -14.439 9.317 -27.877 195 HD21 ASN 25 HD21 ASN 25 -14.321 11.567 -27.551 196 HD22 ASN 25 HD22 ASN 25 -15.560 12.652 -27.964 197 H PHE 26 HN PHE 26 -13.546 8.007 -29.864 198 HA PHE 26 HA PHE 26 -13.171 10.075 -31.738 199 HB2 PHE 26 HB2 PHE 26 -11.303 8.896 -30.673 200 HB3 PHE 26 HB1 PHE 26 -11.739 7.416 -31.527 201 HD1 PHE 26 HD1 PHE 26 -10.680 10.956 -32.036 202 HD2 PHE 26 HD2 PHE 26 -11.036 7.038 -33.760 203 HE1 PHE 26 HE1 PHE 26 -9.365 11.702 -34.002 204 HE2 PHE 26 HE2 PHE 26 -9.721 7.783 -35.726 205 HZ PHE 26 HZ PHE 26 -8.886 10.115 -35.847 206 H LEU 27 HN LEU 27 -14.233 6.722 -32.119 207 HA LEU 27 HA LEU 27 -14.182 6.684 -34.948 208 HB2 LEU 27 HB2 LEU 27 -14.218 4.627 -33.635 209 HB3 LEU 27 HB1 LEU 27 -15.778 5.053 -32.949 210 HG LEU 27 HG LEU 27 -15.633 3.345 -34.937 211 HD11 LEU 27 HD11 LEU 27 -17.691 5.508 -35.324 212 HD12 LEU 27 HD12 LEU 27 -17.689 4.534 -33.853 213 HD13 LEU 27 HD13 LEU 27 -17.875 3.758 -35.424 214 HD21 LEU 27 HD21 LEU 27 -14.311 5.100 -36.313 215 HD22 LEU 27 HD22 LEU 27 -15.878 5.860 -36.583 216 HD23 LEU 27 HD23 LEU 27 -15.596 4.208 -37.125 217 H VAL 28 HN VAL 28 -17.011 6.865 -32.757 218 HA VAL 28 HA VAL 28 -18.915 7.453 -34.695 219 HB VAL 28 HB VAL 28 -20.290 8.314 -32.866 220 HG11 VAL 28 HG11 VAL 28 -19.776 5.831 -33.152 221 HG12 VAL 28 HG12 VAL 28 -20.332 6.317 -31.551 222 HG13 VAL 28 HG13 VAL 28 -18.619 6.013 -31.834 223 HG21 VAL 28 HG21 VAL 28 -17.661 8.283 -31.360 224 HG22 VAL 28 HG22 VAL 28 -19.230 8.408 -30.568 225 HG23 VAL 28 HG23 VAL 28 -18.696 9.675 -31.672 226 H HIS 29 HN HIS 29 -16.435 9.477 -33.389 227 HA HIS 29 HA HIS 29 -17.771 11.912 -34.323 228 HB2 HIS 29 HB2 HIS 29 -16.736 12.022 -32.121 229 HB3 HIS 29 HB1 HIS 29 -15.186 11.521 -32.799 230 HD1 HIS 29 HD1 HIS 29 -17.720 14.343 -33.215 231 HD2 HIS 29 HD2 HIS 29 -13.637 13.640 -33.676 232 HE1 HIS 29 HE1 HIS 29 -16.673 16.570 -33.815 233 HE2 HIS 29 HE2 HIS 29 -14.184 16.158 -34.099 234 H SER 30 HN SER 30 -15.304 9.671 -35.251 235 HA SER 30 HA SER 30 -14.164 11.533 -37.215 236 HB2 SER 30 HB2 SER 30 -12.667 10.119 -35.787 237 HB3 SER 30 HB1 SER 30 -13.337 8.695 -36.577 238 HG SER 30 HG SER 30 -12.323 9.206 -38.385 239 H SER 31 HN SER 31 -16.914 10.120 -37.325 240 HA SER 31 HA SER 31 -16.928 8.185 -39.337 241 HB2 SER 31 HB2 SER 31 -18.937 8.741 -38.073 242 HB3 SER 31 HB1 SER 31 -18.961 10.358 -38.769 243 HG SER 31 HG SER 31 -19.403 7.860 -40.013 244 H ASN 32 HN ASN 32 -17.313 11.704 -39.635 245 HA ASN 32 HA ASN 32 -17.501 11.989 -42.365 246 HB2 ASN 32 HB2 ASN 32 -16.264 14.191 -42.008 247 HB3 ASN 32 HB1 ASN 32 -17.712 13.940 -41.034 248 HD21 ASN 32 HD21 ASN 32 -14.456 14.839 -40.833 249 HD22 ASN 32 HD22 ASN 32 -14.226 14.563 -39.174 250 H ASN 33 HN ASN 33 -14.494 11.906 -40.461 251 HA ASN 33 HA ASN 33 -12.710 12.050 -42.638 252 HB2 ASN 33 HB2 ASN 33 -12.422 10.905 -39.860 253 HB3 ASN 33 HB1 ASN 33 -11.086 10.982 -41.008 254 HD21 ASN 33 HD21 ASN 33 -11.016 13.376 -42.102 255 HD22 ASN 33 HD22 ASN 33 -11.093 14.641 -40.973 256 H PHE 34 HN PHE 34 -14.210 9.262 -41.023 257 HA PHE 34 HA PHE 34 -12.769 7.213 -42.208 258 HB2 PHE 34 HB2 PHE 34 -14.504 6.929 -40.437 259 HB3 PHE 34 HB1 PHE 34 -15.745 7.195 -41.661 260 HD1 PHE 34 HD1 PHE 34 -12.902 4.986 -40.711 261 HD2 PHE 34 HD2 PHE 34 -16.406 5.463 -43.149 262 HE1 PHE 34 HE1 PHE 34 -12.768 2.599 -41.370 263 HE2 PHE 34 HE2 PHE 34 -16.273 3.076 -43.808 264 HZ PHE 34 HZ PHE 34 -14.454 1.644 -42.919 265 H GLY 35 HN GLY 35 -15.484 9.074 -43.495 266 HA2 GLY 35 HA2 GLY 35 -15.918 7.541 -45.835 267 HA3 GLY 35 HA1 GLY 35 -16.371 9.229 -45.619 268 H ALA 36 HN ALA 36 -13.908 10.376 -45.172 269 HA ALA 36 HA ALA 36 -12.966 10.844 -47.774 270 HB1 ALA 36 HB1 ALA 36 -11.016 11.940 -46.607 271 HB2 ALA 36 HB2 ALA 36 -11.692 11.365 -45.082 272 HB3 ALA 36 HB3 ALA 36 -12.602 12.502 -46.077 273 H ILE 37 HN ILE 37 -11.674 8.768 -45.196 274 HA ILE 37 HA ILE 37 -9.347 7.964 -46.615 275 HB ILE 37 HB ILE 37 -10.863 6.712 -44.320 276 HG12 ILE 37 HG12 ILE 37 -8.131 8.020 -44.400 277 HG13 ILE 37 HG11 ILE 37 -9.607 8.915 -44.039 278 HG21 ILE 37 HG21 ILE 37 -8.731 5.346 -44.062 279 HG22 ILE 37 HG22 ILE 37 -8.307 5.853 -45.697 280 HG23 ILE 37 HG23 ILE 37 -9.758 4.889 -45.421 281 HD11 ILE 37 HD11 ILE 37 -8.713 6.451 -42.518 282 HD12 ILE 37 HD12 ILE 37 -10.055 7.520 -42.110 283 HD13 ILE 37 HD13 ILE 37 -8.395 8.104 -41.991 284 H LEU 38 HN LEU 38 -12.534 6.414 -46.196 285 HA LEU 38 HA LEU 38 -11.994 4.096 -47.669 286 HB2 LEU 38 HB2 LEU 38 -13.996 4.350 -46.272 287 HB3 LEU 38 HB1 LEU 38 -14.616 5.583 -47.368 288 HG LEU 38 HG LEU 38 -14.616 3.906 -49.212 289 HD11 LEU 38 HD11 LEU 38 -12.894 2.390 -48.513 290 HD12 LEU 38 HD12 LEU 38 -14.404 1.480 -48.466 291 HD13 LEU 38 HD13 LEU 38 -13.695 2.091 -46.971 292 HD21 LEU 38 HD21 LEU 38 -16.644 4.285 -47.837 293 HD22 LEU 38 HD22 LEU 38 -16.111 3.028 -46.720 294 HD23 LEU 38 HD23 LEU 38 -16.536 2.610 -48.380 295 H SER 39 HN SER 39 -13.314 7.222 -48.714 296 HA SER 39 HA SER 39 -13.901 6.687 -51.348 297 HB2 SER 39 HB2 SER 39 -12.644 9.190 -50.206 298 HB3 SER 39 HB1 SER 39 -13.396 9.076 -51.795 299 HG SER 39 HG SER 39 -14.526 9.194 -49.284 300 H SER 40 HN SER 40 -10.764 7.040 -49.847 301 HA SER 40 HA SER 40 -9.402 7.019 -52.441 302 HB2 SER 40 HB2 SER 40 -8.337 7.240 -49.619 303 HB3 SER 40 HB1 SER 40 -7.345 7.287 -51.073 304 HG SER 40 HG SER 40 -8.344 9.162 -51.680 305 H THR 41 HN THR 41 -10.920 4.685 -51.633 306 HA THR 41 HA THR 41 -8.885 2.710 -50.905 307 HB THR 41 HB THR 41 -11.167 2.630 -49.885 308 HG1 THR 41 HG1 THR 41 -10.364 0.472 -51.537 309 HG21 THR 41 HG21 THR 41 -13.070 2.030 -51.198 310 HG22 THR 41 HG22 THR 41 -12.076 1.711 -52.618 311 HG23 THR 41 HG23 THR 41 -12.296 3.366 -52.049 312 H ASN 42 HN ASN 42 -8.741 4.117 -53.474 313 HA ASN 42 HA ASN 42 -9.435 2.042 -55.424 314 HB2 ASN 42 HB2 ASN 42 -8.913 3.674 -57.110 315 HB3 ASN 42 HB1 ASN 42 -9.895 4.469 -55.881 316 HD21 ASN 42 HD21 ASN 42 -8.164 5.983 -57.578 317 HD22 ASN 42 HD22 ASN 42 -6.909 6.621 -56.630 318 H VAL 43 HN VAL 43 -7.234 1.824 -53.358 319 HA VAL 43 HA VAL 43 -4.823 1.781 -55.000 320 HB VAL 43 HB VAL 43 -4.943 2.517 -52.540 321 HG11 VAL 43 HG11 VAL 43 -4.760 -0.460 -52.042 322 HG12 VAL 43 HG12 VAL 43 -6.285 0.419 -51.925 323 HG13 VAL 43 HG13 VAL 43 -4.944 0.834 -50.859 324 HG21 VAL 43 HG21 VAL 43 -2.918 0.341 -53.108 325 HG22 VAL 43 HG22 VAL 43 -2.697 1.818 -52.172 326 HG23 VAL 43 HG23 VAL 43 -2.863 1.903 -53.925 327 H GLY 44 HN GLY 44 -7.244 -0.096 -55.318 328 HA2 GLY 44 HA2 GLY 44 -6.901 -2.208 -56.493 329 HA3 GLY 44 HA1 GLY 44 -5.669 -2.599 -55.298 330 H SER 45 HN SER 45 -7.601 -1.324 -53.238 331 HA SER 45 HA SER 45 -9.015 -3.821 -52.672 332 HB2 SER 45 HB2 SER 45 -9.404 -2.830 -50.456 333 HB3 SER 45 HB1 SER 45 -7.695 -2.781 -50.877 334 HG SER 45 HG SER 45 -7.986 -0.740 -50.357 335 H ASN 46 HN ASN 46 -9.853 -1.862 -54.795 336 HA ASN 46 HA ASN 46 -12.426 -0.923 -53.740 337 HB2 ASN 46 HB2 ASN 46 -12.618 0.342 -55.786 338 HB3 ASN 46 HB1 ASN 46 -11.002 0.597 -55.129 339 HD21 ASN 46 HD21 ASN 46 -11.399 1.038 -57.872 340 HD22 ASN 46 HD22 ASN 46 -10.637 -0.193 -58.760 341 H THR 47 HN THR 47 -11.764 -3.794 -54.218 342 HA THR 47 HA THR 47 -13.420 -4.516 -56.505 343 HB THR 47 HB THR 47 -12.366 -6.494 -54.514 344 HG1 THR 47 HG1 THR 47 -10.392 -6.042 -55.023 345 HG21 THR 47 HG21 THR 47 -13.721 -7.340 -56.338 346 HG22 THR 47 HG22 THR 47 -12.041 -7.784 -56.641 347 HG23 THR 47 HG23 THR 47 -12.769 -6.437 -57.516 348 H TYR 48 HN TYR 48 -14.447 -3.201 -53.912 349 HA TYR 48 HA TYR 48 -16.517 -5.223 -53.303 350 HB2 TYR 48 HB2 TYR 48 -16.685 -4.360 -51.101 351 HB3 TYR 48 HB1 TYR 48 -14.955 -4.483 -51.416 352 HD1 TYR 48 HD1 TYR 48 -17.612 -2.308 -50.433 353 HD2 TYR 48 HD2 TYR 48 -13.783 -2.365 -52.380 354 HE1 TYR 48 HE1 TYR 48 -17.361 0.123 -50.011 355 HE2 TYR 48 HE2 TYR 48 -13.533 0.066 -51.958 356 HH TYR 48 HH TYR 48 -15.077 2.029 -51.556 357 H GLY 49 HN GLY 49 -16.328 -3.067 -55.441 358 HA2 GLY 49 HA2 GLY 49 -18.049 -0.930 -54.877 359 HA3 GLY 49 HA1 GLY 49 -17.765 -1.604 -56.478 360 H LYS 50 HN LYS 50 -20.259 -0.598 -55.412 361 HA LYS 50 HA LYS 50 -22.007 -2.645 -54.584 362 HB2 LYS 50 HB2 LYS 50 -22.493 -0.050 -56.052 363 HB3 LYS 50 HB1 LYS 50 -23.796 -1.105 -55.503 364 HG2 LYS 50 HG2 LYS 50 -22.849 -0.972 -53.184 365 HG3 LYS 50 HG1 LYS 50 -21.685 0.214 -53.773 366 HD2 LYS 50 HD2 LYS 50 -24.674 0.558 -54.094 367 HD3 LYS 50 HD1 LYS 50 -23.784 1.184 -52.706 368 HE2 LYS 50 HE2 LYS 50 -23.222 1.866 -55.608 369 HE3 LYS 50 HE1 LYS 50 -24.032 2.916 -54.447 370 HZ1 LYS 50 HZ1 LYS 50 -21.218 2.026 -54.475 371 HZ2 LYS 50 HZ2 LYS 50 -21.945 2.586 -53.045 372 HZ3 LYS 50 HZ3 LYS 50 -21.830 3.606 -54.399 373 H ARG 51 HN ARG 51 -20.978 -1.571 -57.785 374 HA ARG 51 HA ARG 51 -22.863 -2.964 -59.328 375 HB2 ARG 51 HB2 ARG 51 -21.366 -2.655 -61.171 376 HB3 ARG 51 HB1 ARG 51 -21.220 -1.228 -60.145 377 HG2 ARG 51 HG2 ARG 51 -19.236 -2.322 -59.038 378 HG3 ARG 51 HG1 ARG 51 -19.332 -3.596 -60.255 379 HD2 ARG 51 HD2 ARG 51 -19.102 -1.873 -62.034 380 HD3 ARG 51 HD1 ARG 51 -18.919 -0.641 -60.789 381 HE ARG 51 HE ARG 51 -16.926 -2.566 -61.625 382 HH11 ARG 51 HH11 ARG 51 -18.034 -0.470 -59.066 383 HH12 ARG 51 HH12 ARG 51 -16.471 -0.339 -58.337 384 HH21 ARG 51 HH21 ARG 51 -14.897 -2.376 -60.651 385 HH22 ARG 51 HH22 ARG 51 -14.706 -1.411 -59.225 386 H ASN 52 HN ASN 52 -20.331 -4.162 -57.363 387 HA ASN 52 HA ASN 52 -19.892 -6.597 -58.858 388 HB2 ASN 52 HB2 ASN 52 -18.126 -5.603 -57.430 389 HB3 ASN 52 HB1 ASN 52 -19.128 -5.906 -56.012 390 HD21 ASN 52 HD21 ASN 52 -18.938 -7.952 -55.057 391 HD22 ASN 52 HD22 ASN 52 -18.151 -9.274 -55.773 392 H ALA 53 HN ALA 53 -21.847 -5.551 -56.120 393 HA ALA 53 HA ALA 53 -22.647 -8.057 -55.148 394 HB1 ALA 53 HB1 ALA 53 -24.621 -6.844 -54.257 395 HB2 ALA 53 HB2 ALA 53 -24.165 -5.440 -55.222 396 HB3 ALA 53 HB3 ALA 53 -23.107 -6.002 -53.928 397 H VAL 54 HN VAL 54 -24.077 -6.011 -57.681 398 HA VAL 54 HA VAL 54 -26.232 -7.823 -58.226 399 HB VAL 54 HB VAL 54 -26.342 -5.401 -58.753 400 HG11 VAL 54 HG11 VAL 54 -24.352 -6.127 -60.924 401 HG12 VAL 54 HG12 VAL 54 -24.005 -5.133 -59.509 402 HG13 VAL 54 HG13 VAL 54 -25.141 -4.562 -60.730 403 HG21 VAL 54 HG21 VAL 54 -27.315 -5.692 -61.032 404 HG22 VAL 54 HG22 VAL 54 -27.835 -6.954 -59.914 405 HG23 VAL 54 HG23 VAL 54 -26.585 -7.296 -61.111 406 H GLU 55 HN GLU 55 -22.963 -7.424 -59.441 407 HA GLU 55 HA GLU 55 -23.192 -8.989 -61.777 408 HB2 GLU 55 HB2 GLU 55 -21.246 -7.504 -61.101 409 HB3 GLU 55 HB1 GLU 55 -20.739 -8.806 -60.025 410 HG2 GLU 55 HG2 GLU 55 -21.323 -9.380 -62.919 411 HG3 GLU 55 HG1 GLU 55 -19.759 -8.720 -62.446 412 H VAL 56 HN VAL 56 -22.138 -9.894 -58.488 413 HA VAL 56 HA VAL 56 -21.903 -12.676 -59.126 414 HB VAL 56 HB VAL 56 -20.657 -11.557 -57.273 415 HG11 VAL 56 HG11 VAL 56 -23.360 -11.611 -55.894 416 HG12 VAL 56 HG12 VAL 56 -22.553 -10.155 -56.476 417 HG13 VAL 56 HG13 VAL 56 -21.833 -11.101 -55.175 418 HG21 VAL 56 HG21 VAL 56 -20.983 -13.413 -55.654 419 HG22 VAL 56 HG22 VAL 56 -20.921 -14.002 -57.315 420 HG23 VAL 56 HG23 VAL 56 -22.472 -13.861 -56.487 421 H LEU 57 HN LEU 57 -24.471 -10.641 -57.851 422 HA LEU 57 HA LEU 57 -26.188 -12.563 -56.793 423 HB2 LEU 57 HB2 LEU 57 -26.368 -9.821 -57.619 424 HB3 LEU 57 HB1 LEU 57 -27.790 -10.694 -58.186 425 HG LEU 57 HG LEU 57 -27.829 -11.704 -55.781 426 HD11 LEU 57 HD11 LEU 57 -25.565 -10.709 -55.237 427 HD12 LEU 57 HD12 LEU 57 -26.830 -10.339 -54.066 428 HD13 LEU 57 HD13 LEU 57 -26.337 -9.123 -55.245 429 HD21 LEU 57 HD21 LEU 57 -29.439 -10.030 -56.825 430 HD22 LEU 57 HD22 LEU 57 -28.469 -8.759 -56.080 431 HD23 LEU 57 HD23 LEU 57 -29.299 -9.941 -55.069 432 H LYS 58 HN LYS 58 -25.895 -11.476 -60.181 433 HA LYS 58 HA LYS 58 -27.975 -13.167 -61.125 434 HB2 LYS 58 HB2 LYS 58 -25.670 -11.794 -62.516 435 HB3 LYS 58 HB1 LYS 58 -26.871 -12.754 -63.381 436 HG2 LYS 58 HG2 LYS 58 -27.710 -10.550 -61.501 437 HG3 LYS 58 HG1 LYS 58 -27.287 -10.203 -63.178 438 HD2 LYS 58 HD2 LYS 58 -28.966 -11.885 -63.920 439 HD3 LYS 58 HD1 LYS 58 -29.429 -12.131 -62.236 440 HE2 LYS 58 HE2 LYS 58 -29.507 -9.431 -63.604 441 HE3 LYS 58 HE1 LYS 58 -30.900 -10.507 -63.501 442 HZ1 LYS 58 HZ1 LYS 58 -29.365 -9.588 -61.136 443 HZ2 LYS 58 HZ2 LYS 58 -30.856 -10.404 -61.149 444 HZ3 LYS 58 HZ3 LYS 58 -30.755 -8.803 -61.708 445 H ARG 59 HN ARG 59 -24.467 -13.520 -60.866 446 HA ARG 59 HA ARG 59 -24.240 -15.983 -62.232 447 HB2 ARG 59 HB2 ARG 59 -22.381 -14.358 -61.503 448 HB3 ARG 59 HB1 ARG 59 -22.471 -15.164 -59.936 449 HG2 ARG 59 HG2 ARG 59 -22.382 -17.018 -62.219 450 HG3 ARG 59 HG1 ARG 59 -20.935 -16.023 -62.052 451 HD2 ARG 59 HD2 ARG 59 -20.745 -16.701 -59.685 452 HD3 ARG 59 HD1 ARG 59 -22.183 -17.703 -59.859 453 HE ARG 59 HE ARG 59 -20.404 -18.523 -61.837 454 HH11 ARG 59 HH11 ARG 59 -20.508 -18.347 -58.356 455 HH12 ARG 59 HH12 ARG 59 -19.469 -19.712 -58.138 456 HH21 ARG 59 HH21 ARG 59 -19.051 -20.305 -61.522 457 HH22 ARG 59 HH22 ARG 59 -18.649 -20.815 -59.916 458 H GLU 60 HN GLU 60 -25.349 -15.167 -59.049 459 HA GLU 60 HA GLU 60 -25.332 -18.013 -58.266 460 HB2 GLU 60 HB2 GLU 60 -25.585 -15.494 -56.612 461 HB3 GLU 60 HB1 GLU 60 -25.742 -17.128 -55.966 462 HG2 GLU 60 HG2 GLU 60 -23.306 -16.106 -57.453 463 HG3 GLU 60 HG1 GLU 60 -23.439 -16.186 -55.697 464 HA PRO 61 HA PRO 61 -29.740 -17.013 -59.371 465 HB2 PRO 61 HB2 PRO 61 -30.288 -19.563 -60.277 466 HB3 PRO 61 HB1 PRO 61 -29.695 -18.241 -61.300 467 HG2 PRO 61 HG2 PRO 61 -28.212 -20.516 -60.095 468 HG3 PRO 61 HG1 PRO 61 -28.008 -19.741 -61.675 469 HD2 PRO 61 HD2 PRO 61 -26.333 -19.261 -59.580 470 HD3 PRO 61 HD1 PRO 61 -26.686 -18.040 -60.823 471 H LEU 62 HN LEU 62 -28.155 -19.053 -57.167 472 HA LEU 62 HA LEU 62 -30.320 -20.539 -56.117 473 HB2 LEU 62 HB2 LEU 62 -27.818 -20.852 -55.659 474 HB3 LEU 62 HB1 LEU 62 -27.978 -19.529 -54.503 475 HG LEU 62 HG LEU 62 -30.033 -21.652 -54.297 476 HD11 LEU 62 HD11 LEU 62 -28.112 -23.067 -54.724 477 HD12 LEU 62 HD12 LEU 62 -28.447 -23.107 -52.993 478 HD13 LEU 62 HD13 LEU 62 -27.118 -22.126 -53.612 479 HD21 LEU 62 HD21 LEU 62 -29.646 -21.257 -51.903 480 HD22 LEU 62 HD22 LEU 62 -29.848 -19.719 -52.743 481 HD23 LEU 62 HD23 LEU 62 -28.237 -20.266 -52.280 482 H ASN 63 HN ASN 63 -29.004 -17.336 -55.330 483 HA ASN 63 HA ASN 63 -30.986 -16.894 -53.262 484 HB2 ASN 63 HB2 ASN 63 -29.920 -14.785 -52.920 485 HB3 ASN 63 HB1 ASN 63 -28.638 -15.960 -53.209 486 HD21 ASN 63 HD21 ASN 63 -30.535 -13.381 -54.819 487 HD22 ASN 63 HD22 ASN 63 -29.373 -13.062 -56.014 488 H TYR 64 HN TYR 64 -31.069 -16.805 -56.602 489 HA TYR 64 HA TYR 64 -32.642 -14.438 -57.010 490 HB2 TYR 64 HB2 TYR 64 -31.248 -15.593 -58.768 491 HB3 TYR 64 HB1 TYR 64 -32.463 -16.872 -58.792 492 HD1 TYR 64 HD1 TYR 64 -31.984 -13.200 -59.246 493 HD2 TYR 64 HD2 TYR 64 -34.494 -16.607 -59.985 494 HE1 TYR 64 HE1 TYR 64 -33.394 -11.832 -60.758 495 HE2 TYR 64 HE2 TYR 64 -35.905 -15.238 -61.498 496 HH TYR 64 HH TYR 64 -35.375 -12.986 -62.967 497 H LEU 65 HN LEU 65 -33.299 -17.844 -56.395 498 HA LEU 65 HA LEU 65 -36.166 -17.472 -56.753 499 HB2 LEU 65 HB2 LEU 65 -34.518 -19.875 -55.929 500 HB3 LEU 65 HB1 LEU 65 -36.267 -19.896 -56.154 501 HG LEU 65 HG LEU 65 -34.321 -19.025 -58.306 502 HD11 LEU 65 HD11 LEU 65 -34.518 -21.213 -59.269 503 HD12 LEU 65 HD12 LEU 65 -35.755 -21.684 -58.103 504 HD13 LEU 65 HD13 LEU 65 -34.088 -21.452 -57.575 505 HD21 LEU 65 HD21 LEU 65 -36.385 -19.573 -59.726 506 HD22 LEU 65 HD22 LEU 65 -36.504 -18.135 -58.713 507 HD23 LEU 65 HD23 LEU 65 -37.287 -19.633 -58.211 508 HA PRO 66 HA PRO 66 -37.331 -16.623 -52.593 509 HB2 PRO 66 HB2 PRO 66 -39.032 -19.072 -52.600 510 HB3 PRO 66 HB1 PRO 66 -39.476 -17.389 -52.256 511 HG2 PRO 66 HG2 PRO 66 -40.143 -18.561 -54.550 512 HG3 PRO 66 HG1 PRO 66 -39.690 -16.850 -54.476 513 HD2 PRO 66 HD2 PRO 66 -38.112 -19.172 -55.499 514 HD3 PRO 66 HD1 PRO 66 -38.120 -17.480 -56.046 515 H LEU 67 HN LEU 67 -36.570 -17.085 -50.567 516 HA LEU 67 HA LEU 67 -35.532 -19.806 -50.066 517 HB2 LEU 67 HB2 LEU 67 -33.994 -17.449 -50.390 518 HB3 LEU 67 HB1 LEU 67 -33.965 -17.848 -48.671 519 HG LEU 67 HG LEU 67 -33.465 -19.919 -50.817 520 HD11 LEU 67 HD11 LEU 67 -31.360 -18.401 -49.254 521 HD12 LEU 67 HD12 LEU 67 -31.819 -17.989 -50.907 522 HD13 LEU 67 HD13 LEU 67 -31.100 -19.561 -50.557 523 HD21 LEU 67 HD21 LEU 67 -34.031 -20.861 -48.673 524 HD22 LEU 67 HD22 LEU 67 -32.963 -19.736 -47.833 525 HD23 LEU 67 HD23 LEU 67 -32.283 -21.006 -48.850 Start of MODEL 16 1 H1 THR 1 HT1 THR 1 -3.196 -4.377 -0.693 2 H2 THR 1 HT2 THR 1 -3.383 -2.777 -0.153 3 H3 THR 1 HT3 THR 1 -3.859 -4.072 0.838 4 HA THR 1 HA THR 1 -1.745 -4.616 1.433 5 HB THR 1 HB THR 1 -1.284 -4.251 -1.302 6 HG1 THR 1 HG1 THR 1 0.705 -5.224 -0.758 7 HG21 THR 1 HG21 THR 1 0.709 -2.879 -1.457 8 HG22 THR 1 HG22 THR 1 0.674 -2.555 0.274 9 HG23 THR 1 HG23 THR 1 -0.588 -1.901 -0.775 10 HA PRO 2 HA PRO 2 -1.122 -0.814 3.578 11 HB2 PRO 2 HB2 PRO 2 1.420 -1.064 4.528 12 HB3 PRO 2 HB1 PRO 2 0.060 -2.022 5.146 13 HG2 PRO 2 HG2 PRO 2 2.207 -2.793 3.239 14 HG3 PRO 2 HG1 PRO 2 1.441 -3.741 4.524 15 HD2 PRO 2 HD2 PRO 2 0.799 -3.984 1.853 16 HD3 PRO 2 HD1 PRO 2 -0.312 -4.392 3.179 17 H ILE 3 HN ILE 3 -0.104 1.258 3.523 18 HA ILE 3 HA ILE 3 0.630 2.237 1.034 19 HB ILE 3 HB ILE 3 -0.088 3.591 3.033 20 HG12 ILE 3 HG12 ILE 3 1.694 5.436 2.533 21 HG13 ILE 3 HG11 ILE 3 2.311 4.285 1.347 22 HG21 ILE 3 HG21 ILE 3 1.561 2.461 4.586 23 HG22 ILE 3 HG22 ILE 3 1.557 4.222 4.678 24 HG23 ILE 3 HG23 ILE 3 2.837 3.388 3.796 25 HD11 ILE 3 HD11 ILE 3 -0.483 5.450 1.476 26 HD12 ILE 3 HD12 ILE 3 -0.020 4.133 0.398 27 HD13 ILE 3 HD13 ILE 3 0.725 5.722 0.221 28 H GLU 4 HN GLU 4 2.501 2.444 -0.083 29 HA GLU 4 HA GLU 4 4.714 0.783 0.599 30 HB2 GLU 4 HB2 GLU 4 5.758 1.693 -1.410 31 HB3 GLU 4 HB1 GLU 4 4.067 1.310 -1.737 32 HG2 GLU 4 HG2 GLU 4 3.473 3.688 -1.326 33 HG3 GLU 4 HG1 GLU 4 5.180 4.054 -1.084 34 H SER 5 HN SER 5 6.916 1.470 0.945 35 HA SER 5 HA SER 5 7.136 3.494 2.945 36 HB2 SER 5 HB2 SER 5 9.475 2.917 3.010 37 HB3 SER 5 HB1 SER 5 8.556 1.427 2.814 38 HG SER 5 HG SER 5 8.933 1.725 0.503 39 H HIS 6 HN HIS 6 8.589 5.349 2.845 40 HA HIS 6 HA HIS 6 8.530 6.613 0.175 41 HB2 HIS 6 HB2 HIS 6 8.587 8.762 1.403 42 HB3 HIS 6 HB1 HIS 6 7.183 7.787 1.838 43 HD1 HIS 6 HD1 HIS 6 10.599 8.773 3.146 44 HD2 HIS 6 HD2 HIS 6 7.085 7.007 4.530 45 HE1 HIS 6 HE1 HIS 6 10.836 8.580 5.660 46 HE2 HIS 6 HE2 HIS 6 8.702 7.505 6.519 47 H GLN 7 HN GLN 7 10.633 4.815 1.447 48 HA GLN 7 HA GLN 7 12.898 6.467 2.016 49 HB2 GLN 7 HB2 GLN 7 12.714 4.147 2.836 50 HB3 GLN 7 HB1 GLN 7 12.787 3.560 1.174 51 HG2 GLN 7 HG2 GLN 7 15.011 4.596 0.903 52 HG3 GLN 7 HG1 GLN 7 14.941 5.178 2.566 53 HE21 GLN 7 HE21 GLN 7 16.177 3.860 3.901 54 HE22 GLN 7 HE22 GLN 7 16.309 2.174 3.756 55 H VAL 8 HN VAL 8 14.346 7.359 0.670 56 HA VAL 8 HA VAL 8 13.852 7.295 -2.171 57 HB VAL 8 HB VAL 8 14.587 9.351 -0.981 58 HG11 VAL 8 HG11 VAL 8 16.164 8.088 0.556 59 HG12 VAL 8 HG12 VAL 8 16.838 9.553 -0.158 60 HG13 VAL 8 HG13 VAL 8 17.278 7.973 -0.806 61 HG21 VAL 8 HG21 VAL 8 15.019 8.904 -3.446 62 HG22 VAL 8 HG22 VAL 8 16.654 8.423 -2.993 63 HG23 VAL 8 HG23 VAL 8 16.108 10.074 -2.700 64 H GLU 9 HN GLU 9 14.897 6.157 -3.699 65 HA GLU 9 HA GLU 9 17.446 4.863 -3.078 66 HB2 GLU 9 HB2 GLU 9 16.319 2.740 -4.230 67 HB3 GLU 9 HB1 GLU 9 16.243 2.996 -2.487 68 HG2 GLU 9 HG2 GLU 9 14.025 2.425 -3.503 69 HG3 GLU 9 HG1 GLU 9 14.030 3.976 -2.669 70 H LYS 10 HN LYS 10 17.708 6.780 -4.666 71 HA LYS 10 HA LYS 10 16.859 6.716 -7.308 72 HB2 LYS 10 HB2 LYS 10 19.036 7.933 -7.794 73 HB3 LYS 10 HB1 LYS 10 18.023 8.649 -6.541 74 HG2 LYS 10 HG2 LYS 10 19.836 6.655 -5.434 75 HG3 LYS 10 HG1 LYS 10 20.712 7.930 -6.281 76 HD2 LYS 10 HD2 LYS 10 19.120 9.547 -4.988 77 HD3 LYS 10 HD1 LYS 10 18.858 8.166 -3.923 78 HE2 LYS 10 HE2 LYS 10 21.614 9.182 -4.651 79 HE3 LYS 10 HE1 LYS 10 20.737 9.725 -3.221 80 HZ1 LYS 10 HZ1 LYS 10 22.349 7.716 -3.070 81 HZ2 LYS 10 HZ2 LYS 10 21.042 6.845 -3.718 82 HZ3 LYS 10 HZ3 LYS 10 20.869 7.672 -2.244 83 H ARG 11 HN ARG 11 18.047 6.117 -9.255 84 HA ARG 11 HA ARG 11 19.993 3.948 -8.950 85 HB2 ARG 11 HB2 ARG 11 18.725 2.481 -10.477 86 HB3 ARG 11 HB1 ARG 11 17.831 2.801 -8.993 87 HG2 ARG 11 HG2 ARG 11 16.150 3.239 -10.502 88 HG3 ARG 11 HG1 ARG 11 16.888 4.838 -10.471 89 HD2 ARG 11 HD2 ARG 11 18.383 3.364 -12.339 90 HD3 ARG 11 HD1 ARG 11 16.702 2.957 -12.664 91 HE ARG 11 HE ARG 11 17.964 5.447 -13.224 92 HH11 ARG 11 HH11 ARG 11 14.979 4.050 -12.082 93 HH12 ARG 11 HH12 ARG 11 14.010 5.366 -12.648 94 HH21 ARG 11 HH21 ARG 11 16.672 7.151 -13.954 95 HH22 ARG 11 HH22 ARG 11 14.959 7.111 -13.701 96 H LYS 12 HN LYS 12 21.282 3.603 -10.787 97 HA LYS 12 HA LYS 12 21.660 5.913 -12.435 98 HB2 LYS 12 HB2 LYS 12 23.481 4.627 -13.450 99 HB3 LYS 12 HB1 LYS 12 23.540 4.499 -11.692 100 HG2 LYS 12 HG2 LYS 12 22.339 2.329 -11.828 101 HG3 LYS 12 HG1 LYS 12 22.361 2.448 -13.588 102 HD2 LYS 12 HD2 LYS 12 24.802 2.442 -13.598 103 HD3 LYS 12 HD1 LYS 12 24.835 2.439 -11.834 104 HE2 LYS 12 HE2 LYS 12 25.185 0.164 -12.642 105 HE3 LYS 12 HE1 LYS 12 23.609 0.263 -11.856 106 HZ1 LYS 12 HZ1 LYS 12 23.730 -0.882 -14.106 107 HZ2 LYS 12 HZ2 LYS 12 23.913 0.672 -14.767 108 HZ3 LYS 12 HZ3 LYS 12 22.511 0.277 -13.893 109 H CYS 13 HN CYS 13 21.332 6.166 -14.632 110 HA CYS 13 HA CYS 13 19.073 4.819 -15.741 111 HB2 CYS 13 HB2 CYS 13 20.679 7.126 -16.354 112 HB3 CYS 13 HB1 CYS 13 20.460 6.152 -17.807 113 H ASN 14 HN ASN 14 19.496 2.628 -15.955 114 HA ASN 14 HA ASN 14 21.526 1.931 -17.989 115 HB2 ASN 14 HB2 ASN 14 21.973 -0.135 -16.819 116 HB3 ASN 14 HB1 ASN 14 22.184 1.205 -15.694 117 HD21 ASN 14 HD21 ASN 14 20.785 1.304 -13.866 118 HD22 ASN 14 HD22 ASN 14 19.583 0.146 -13.555 119 H THR 15 HN THR 15 18.411 1.093 -16.500 120 HA THR 15 HA THR 15 17.662 -1.031 -18.119 121 HB THR 15 HB THR 15 16.400 -0.213 -16.129 122 HG1 THR 15 HG1 THR 15 15.010 -1.450 -17.073 123 HG21 THR 15 HG21 THR 15 14.900 1.666 -16.338 124 HG22 THR 15 HG22 THR 15 15.304 1.858 -18.043 125 HG23 THR 15 HG23 THR 15 16.510 2.211 -16.808 126 H ALA 16 HN ALA 16 16.375 -1.188 -19.992 127 HA ALA 16 HA ALA 16 17.115 0.516 -22.110 128 HB1 ALA 16 HB1 ALA 16 15.004 -1.610 -21.816 129 HB2 ALA 16 HB2 ALA 16 16.529 -1.688 -22.699 130 HB3 ALA 16 HB3 ALA 16 15.202 -0.704 -23.316 131 H THR 17 HN THR 17 14.594 0.790 -19.771 132 HA THR 17 HA THR 17 12.722 2.299 -21.268 133 HB THR 17 HB THR 17 13.280 2.345 -18.292 134 HG1 THR 17 HG1 THR 17 11.576 0.813 -19.952 135 HG21 THR 17 HG21 THR 17 10.908 3.132 -18.184 136 HG22 THR 17 HG22 THR 17 10.916 3.277 -19.942 137 HG23 THR 17 HG23 THR 17 11.986 4.287 -18.969 138 H CYS 18 HN CYS 18 15.589 3.191 -19.414 139 HA CYS 18 HA CYS 18 15.220 5.971 -19.358 140 HB2 CYS 18 HB2 CYS 18 16.952 4.767 -18.058 141 HB3 CYS 18 HB1 CYS 18 17.832 4.453 -19.554 142 H ALA 19 HN ALA 19 16.838 3.908 -21.762 143 HA ALA 19 HA ALA 19 17.711 5.978 -23.463 144 HB1 ALA 19 HB1 ALA 19 18.616 3.766 -23.724 145 HB2 ALA 19 HB2 ALA 19 17.760 4.169 -25.212 146 HB3 ALA 19 HB3 ALA 19 17.017 3.090 -24.032 147 H THR 20 HN THR 20 14.673 4.170 -23.321 148 HA THR 20 HA THR 20 13.449 4.862 -25.670 149 HB THR 20 HB THR 20 12.125 4.842 -22.952 150 HG1 THR 20 HG1 THR 20 13.027 2.898 -23.130 151 HG21 THR 20 HG21 THR 20 11.073 4.412 -25.760 152 HG22 THR 20 HG22 THR 20 10.688 5.762 -24.692 153 HG23 THR 20 HG23 THR 20 10.143 4.134 -24.287 154 H GLN 21 HN GLN 21 13.650 6.861 -22.724 155 HA GLN 21 HA GLN 21 12.135 9.009 -23.900 156 HB2 GLN 21 HB2 GLN 21 12.198 9.976 -21.834 157 HB3 GLN 21 HB1 GLN 21 12.618 8.335 -21.347 158 HG2 GLN 21 HG2 GLN 21 15.061 9.010 -21.699 159 HG3 GLN 21 HG1 GLN 21 14.482 10.672 -21.799 160 HE21 GLN 21 HE21 GLN 21 15.901 8.708 -19.630 161 HE22 GLN 21 HE22 GLN 21 15.162 9.239 -18.197 162 H ARG 22 HN ARG 22 15.502 8.123 -23.733 163 HA ARG 22 HA ARG 22 16.580 10.698 -24.307 164 HB2 ARG 22 HB2 ARG 22 17.990 8.972 -23.344 165 HB3 ARG 22 HB1 ARG 22 17.711 7.920 -24.729 166 HG2 ARG 22 HG2 ARG 22 19.897 9.049 -24.907 167 HG3 ARG 22 HG1 ARG 22 18.823 9.562 -26.205 168 HD2 ARG 22 HD2 ARG 22 20.055 11.456 -25.110 169 HD3 ARG 22 HD1 ARG 22 18.304 11.622 -25.044 170 HE ARG 22 HE ARG 22 18.417 11.391 -22.734 171 HH11 ARG 22 HH11 ARG 22 21.424 10.407 -24.201 172 HH12 ARG 22 HH12 ARG 22 22.251 10.263 -22.689 173 HH21 ARG 22 HH21 ARG 22 19.522 11.194 -20.774 174 HH22 ARG 22 HH22 ARG 22 21.183 10.704 -20.760 175 H LEU 23 HN LEU 23 15.912 7.862 -26.352 176 HA LEU 23 HA LEU 23 16.635 9.182 -28.780 177 HB2 LEU 23 HB2 LEU 23 15.686 7.240 -29.907 178 HB3 LEU 23 HB1 LEU 23 16.666 6.719 -28.537 179 HG LEU 23 HG LEU 23 14.208 7.027 -27.364 180 HD11 LEU 23 HD11 LEU 23 13.291 7.430 -29.709 181 HD12 LEU 23 HD12 LEU 23 12.516 6.130 -28.805 182 HD13 LEU 23 HD13 LEU 23 13.696 5.750 -30.060 183 HD21 LEU 23 HD21 LEU 23 14.073 4.494 -27.648 184 HD22 LEU 23 HD22 LEU 23 15.587 5.103 -26.980 185 HD23 LEU 23 HD23 LEU 23 15.501 4.624 -28.675 186 H ALA 24 HN ALA 24 13.648 8.840 -26.966 187 HA ALA 24 HA ALA 24 11.794 9.548 -28.928 188 HB1 ALA 24 HB1 ALA 24 11.848 10.044 -25.950 189 HB2 ALA 24 HB2 ALA 24 10.972 8.789 -26.826 190 HB3 ALA 24 HB3 ALA 24 10.467 10.474 -26.960 191 H ASN 25 HN ASN 25 13.606 11.658 -26.688 192 HA ASN 25 HA ASN 25 12.539 14.084 -27.701 193 HB2 ASN 25 HB2 ASN 25 13.640 13.856 -25.483 194 HB3 ASN 25 HB1 ASN 25 15.185 13.634 -26.302 195 HD21 ASN 25 HD21 ASN 25 16.353 15.552 -26.284 196 HD22 ASN 25 HD22 ASN 25 15.685 17.102 -26.465 197 H PHE 26 HN PHE 26 15.436 12.202 -28.455 198 HA PHE 26 HA PHE 26 16.664 14.051 -30.193 199 HB2 PHE 26 HB2 PHE 26 17.795 12.055 -29.250 200 HB3 PHE 26 HB1 PHE 26 16.804 11.029 -30.287 201 HD1 PHE 26 HD1 PHE 26 19.331 13.765 -30.317 202 HD2 PHE 26 HD2 PHE 26 17.340 10.706 -32.581 203 HE1 PHE 26 HE1 PHE 26 20.923 14.114 -32.187 204 HE2 PHE 26 HE2 PHE 26 18.932 11.054 -34.451 205 HZ PHE 26 HZ PHE 26 20.723 12.758 -34.254 206 H LEU 27 HN LEU 27 14.017 11.823 -30.651 207 HA LEU 27 HA LEU 27 14.074 11.669 -33.469 208 HB2 LEU 27 HB2 LEU 27 12.770 10.113 -32.116 209 HB3 LEU 27 HB1 LEU 27 11.775 11.424 -31.507 210 HG LEU 27 HG LEU 27 10.903 9.895 -33.457 211 HD11 LEU 27 HD11 LEU 27 10.580 12.849 -33.949 212 HD12 LEU 27 HD12 LEU 27 9.951 12.113 -32.475 213 HD13 LEU 27 HD13 LEU 27 9.380 11.563 -34.048 214 HD21 LEU 27 HD21 LEU 27 13.039 10.440 -34.813 215 HD22 LEU 27 HD22 LEU 27 12.269 11.990 -35.145 216 HD23 LEU 27 HD23 LEU 27 11.494 10.494 -35.658 217 H VAL 28 HN VAL 28 11.884 13.594 -31.393 218 HA VAL 28 HA VAL 28 10.991 15.223 -33.548 219 HB VAL 28 HB VAL 28 9.854 16.534 -31.831 220 HG11 VAL 28 HG11 VAL 28 9.058 14.209 -32.520 221 HG12 VAL 28 HG12 VAL 28 8.457 14.797 -30.970 222 HG13 VAL 28 HG13 VAL 28 9.770 13.621 -31.017 223 HG21 VAL 28 HG21 VAL 28 11.506 14.882 -29.892 224 HG22 VAL 28 HG22 VAL 28 10.208 15.985 -29.437 225 HG23 VAL 28 HG23 VAL 28 11.678 16.613 -30.181 226 H HIS 29 HN HIS 29 13.773 15.322 -31.535 227 HA HIS 29 HA HIS 29 14.222 18.174 -31.781 228 HB2 HIS 29 HB2 HIS 29 15.011 16.967 -29.796 229 HB3 HIS 29 HB1 HIS 29 16.048 15.964 -30.811 230 HD1 HIS 29 HD1 HIS 29 15.524 19.663 -30.031 231 HD2 HIS 29 HD2 HIS 29 18.553 17.061 -31.230 232 HE1 HIS 29 HE1 HIS 29 17.657 21.028 -30.098 233 HE2 HIS 29 HE2 HIS 29 19.513 19.455 -30.828 234 H SER 30 HN SER 30 15.404 15.204 -33.294 235 HA SER 30 HA SER 30 17.115 16.765 -35.116 236 HB2 SER 30 HB2 SER 30 17.688 14.511 -33.749 237 HB3 SER 30 HB1 SER 30 17.059 13.810 -35.237 238 HG SER 30 HG SER 30 19.220 14.189 -35.549 239 H SER 31 HN SER 31 14.034 16.350 -35.188 240 HA SER 31 HA SER 31 13.349 14.711 -37.339 241 HB2 SER 31 HB2 SER 31 11.666 15.768 -35.910 242 HB3 SER 31 HB1 SER 31 12.121 17.356 -36.519 243 HG SER 31 HG SER 31 11.171 15.194 -38.100 244 H ASN 32 HN ASN 32 14.232 18.153 -37.335 245 HA ASN 32 HA ASN 32 14.014 18.713 -40.039 246 HB2 ASN 32 HB2 ASN 32 15.999 20.304 -39.592 247 HB3 ASN 32 HB1 ASN 32 14.527 20.543 -38.652 248 HD21 ASN 32 HD21 ASN 32 17.893 20.108 -38.382 249 HD22 ASN 32 HD22 ASN 32 17.950 19.719 -36.730 250 H ASN 33 HN ASN 33 16.924 17.563 -38.338 251 HA ASN 33 HA ASN 33 18.576 17.225 -40.575 252 HB2 ASN 33 HB2 ASN 33 18.478 15.795 -37.920 253 HB3 ASN 33 HB1 ASN 33 19.728 15.488 -39.125 254 HD21 ASN 33 HD21 ASN 33 20.355 16.613 -36.555 255 HD22 ASN 33 HD22 ASN 33 20.891 18.205 -36.796 256 H PHE 34 HN PHE 34 16.356 14.899 -39.034 257 HA PHE 34 HA PHE 34 16.911 12.658 -40.571 258 HB2 PHE 34 HB2 PHE 34 15.411 12.659 -38.617 259 HB3 PHE 34 HB1 PHE 34 14.210 13.555 -39.547 260 HD1 PHE 34 HD1 PHE 34 16.348 10.485 -39.886 261 HD2 PHE 34 HD2 PHE 34 12.537 12.331 -40.611 262 HE1 PHE 34 HE1 PHE 34 15.498 8.358 -40.838 263 HE2 PHE 34 HE2 PHE 34 11.688 10.205 -41.563 264 HZ PHE 34 HZ PHE 34 13.168 8.218 -41.676 265 H GLY 35 HN GLY 35 14.412 15.130 -41.208 266 HA2 GLY 35 HA2 GLY 35 13.644 14.039 -43.710 267 HA3 GLY 35 HA1 GLY 35 13.263 15.659 -43.142 268 H ALA 36 HN ALA 36 16.046 16.413 -42.753 269 HA ALA 36 HA ALA 36 16.609 17.497 -45.301 270 HB1 ALA 36 HB1 ALA 36 18.398 18.558 -44.287 271 HB2 ALA 36 HB2 ALA 36 18.767 17.177 -43.254 272 HB3 ALA 36 HB3 ALA 36 17.386 18.210 -42.885 273 H ILE 37 HN ILE 37 17.988 14.736 -43.547 274 HA ILE 37 HA ILE 37 19.983 14.115 -45.473 275 HB ILE 37 HB ILE 37 18.641 12.460 -43.331 276 HG12 ILE 37 HG12 ILE 37 21.480 13.497 -43.530 277 HG13 ILE 37 HG11 ILE 37 20.189 14.400 -42.737 278 HG21 ILE 37 HG21 ILE 37 20.607 10.895 -43.753 279 HG22 ILE 37 HG22 ILE 37 20.859 11.761 -45.268 280 HG23 ILE 37 HG23 ILE 37 19.353 10.886 -44.993 281 HD11 ILE 37 HD11 ILE 37 20.906 11.551 -42.007 282 HD12 ILE 37 HD12 ILE 37 19.847 12.650 -41.124 283 HD13 ILE 37 HD13 ILE 37 21.582 12.958 -41.186 284 H LEU 38 HN LEU 38 16.673 12.891 -44.985 285 HA LEU 38 HA LEU 38 16.779 10.991 -47.083 286 HB2 LEU 38 HB2 LEU 38 15.062 10.924 -45.315 287 HB3 LEU 38 HB1 LEU 38 14.381 12.434 -45.918 288 HG LEU 38 HG LEU 38 13.962 11.324 -48.116 289 HD11 LEU 38 HD11 LEU 38 15.613 9.588 -48.131 290 HD12 LEU 38 HD12 LEU 38 14.050 8.775 -48.054 291 HD13 LEU 38 HD13 LEU 38 15.034 8.934 -46.599 292 HD21 LEU 38 HD21 LEU 38 12.173 11.427 -46.441 293 HD22 LEU 38 HD22 LEU 38 12.776 9.955 -45.681 294 HD23 LEU 38 HD23 LEU 38 12.094 9.893 -47.307 295 H SER 39 HN SER 39 15.722 14.359 -46.934 296 HA SER 39 HA SER 39 14.705 14.607 -49.535 297 HB2 SER 39 HB2 SER 39 16.056 16.654 -47.766 298 HB3 SER 39 HB1 SER 39 15.210 17.042 -49.261 299 HG SER 39 HG SER 39 13.372 15.930 -48.286 300 H SER 40 HN SER 40 18.001 14.829 -48.296 301 HA SER 40 HA SER 40 19.041 15.499 -50.946 302 HB2 SER 40 HB2 SER 40 20.438 15.109 -48.290 303 HB3 SER 40 HB1 SER 40 21.227 15.607 -49.784 304 HG SER 40 HG SER 40 20.253 17.211 -48.096 305 H THR 41 HN THR 41 17.744 12.954 -50.637 306 HA THR 41 HA THR 41 19.458 10.795 -50.202 307 HB THR 41 HB THR 41 17.035 10.544 -50.480 308 HG1 THR 41 HG1 THR 41 17.148 8.736 -51.881 309 HG21 THR 41 HG21 THR 41 15.950 10.835 -52.588 310 HG22 THR 41 HG22 THR 41 17.488 11.012 -53.432 311 HG23 THR 41 HG23 THR 41 16.929 12.281 -52.343 312 H ASN 42 HN ASN 42 19.479 13.111 -52.742 313 HA ASN 42 HA ASN 42 20.761 11.421 -54.699 314 HB2 ASN 42 HB2 ASN 42 20.952 13.426 -56.027 315 HB3 ASN 42 HB1 ASN 42 19.349 13.394 -55.294 316 HD21 ASN 42 HD21 ASN 42 20.330 15.878 -56.097 317 HD22 ASN 42 HD22 ASN 42 20.750 16.801 -54.735 318 H VAL 43 HN VAL 43 21.895 12.445 -51.825 319 HA VAL 43 HA VAL 43 24.500 13.392 -52.722 320 HB VAL 43 HB VAL 43 23.211 14.221 -50.647 321 HG11 VAL 43 HG11 VAL 43 24.519 11.798 -49.394 322 HG12 VAL 43 HG12 VAL 43 22.819 11.818 -49.862 323 HG13 VAL 43 HG13 VAL 43 23.412 12.944 -48.641 324 HG21 VAL 43 HG21 VAL 43 26.055 13.311 -50.144 325 HG22 VAL 43 HG22 VAL 43 25.263 14.774 -49.560 326 HG23 VAL 43 HG23 VAL 43 25.670 14.615 -51.268 327 H GLY 44 HN GLY 44 23.339 10.515 -53.060 328 HA2 GLY 44 HA2 GLY 44 25.466 8.979 -53.368 329 HA3 GLY 44 HA1 GLY 44 25.358 8.969 -51.610 330 H SER 45 HN SER 45 22.385 9.159 -51.736 331 HA SER 45 HA SER 45 21.885 6.301 -52.220 332 HB2 SER 45 HB2 SER 45 19.727 6.864 -50.933 333 HB3 SER 45 HB1 SER 45 21.238 6.870 -50.028 334 HG SER 45 HG SER 45 19.788 8.746 -49.774 335 H ASN 46 HN ASN 46 22.067 8.159 -54.422 336 HA ASN 46 HA ASN 46 19.532 8.996 -55.346 337 HB2 ASN 46 HB2 ASN 46 20.597 9.242 -57.507 338 HB3 ASN 46 HB1 ASN 46 21.710 9.787 -56.253 339 HD21 ASN 46 HD21 ASN 46 22.880 9.060 -58.645 340 HD22 ASN 46 HD22 ASN 46 23.657 7.558 -58.496 341 H THR 47 HN THR 47 20.762 5.856 -54.955 342 HA THR 47 HA THR 47 19.225 4.713 -57.159 343 HB THR 47 HB THR 47 20.301 2.778 -55.297 344 HG1 THR 47 HG1 THR 47 22.472 3.369 -55.575 345 HG21 THR 47 HG21 THR 47 19.830 2.213 -57.583 346 HG22 THR 47 HG22 THR 47 21.583 2.163 -57.395 347 HG23 THR 47 HG23 THR 47 20.819 3.546 -58.177 348 H TYR 48 HN TYR 48 17.898 6.113 -54.899 349 HA TYR 48 HA TYR 48 16.543 3.966 -53.462 350 HB2 TYR 48 HB2 TYR 48 15.614 5.653 -52.092 351 HB3 TYR 48 HB1 TYR 48 17.257 6.200 -52.423 352 HD1 TYR 48 HD1 TYR 48 13.772 7.017 -52.637 353 HD2 TYR 48 HD2 TYR 48 17.597 7.807 -54.427 354 HE1 TYR 48 HE1 TYR 48 12.876 9.104 -53.633 355 HE2 TYR 48 HE2 TYR 48 16.700 9.891 -55.424 356 HH TYR 48 HH TYR 48 14.440 10.788 -56.084 357 H GLY 49 HN GLY 49 16.261 4.576 -56.461 358 HA2 GLY 49 HA2 GLY 49 13.833 5.653 -57.164 359 HA3 GLY 49 HA1 GLY 49 14.561 4.280 -57.991 360 H LYS 50 HN LYS 50 12.049 5.336 -55.936 361 HA LYS 50 HA LYS 50 11.322 2.737 -54.906 362 HB2 LYS 50 HB2 LYS 50 9.852 5.381 -54.949 363 HB3 LYS 50 HB1 LYS 50 9.276 3.932 -54.125 364 HG2 LYS 50 HG2 LYS 50 11.451 3.894 -52.845 365 HG3 LYS 50 HG1 LYS 50 11.825 5.466 -53.552 366 HD2 LYS 50 HD2 LYS 50 9.291 4.908 -51.991 367 HD3 LYS 50 HD1 LYS 50 10.753 5.572 -51.261 368 HE2 LYS 50 HE2 LYS 50 9.211 6.814 -53.559 369 HE3 LYS 50 HE1 LYS 50 9.194 7.376 -51.888 370 HZ1 LYS 50 HZ1 LYS 50 11.359 7.506 -53.869 371 HZ2 LYS 50 HZ2 LYS 50 11.752 7.430 -52.218 372 HZ3 LYS 50 HZ3 LYS 50 10.797 8.705 -52.809 373 H ARG 51 HN ARG 51 10.747 4.521 -57.800 374 HA ARG 51 HA ARG 51 8.240 3.550 -58.580 375 HB2 ARG 51 HB2 ARG 51 8.846 4.192 -60.808 376 HB3 ARG 51 HB1 ARG 51 9.575 5.365 -59.711 377 HG2 ARG 51 HG2 ARG 51 11.700 4.016 -59.796 378 HG3 ARG 51 HG1 ARG 51 10.955 3.019 -61.045 379 HD2 ARG 51 HD2 ARG 51 10.607 5.054 -62.427 380 HD3 ARG 51 HD1 ARG 51 11.427 6.009 -61.196 381 HE ARG 51 HE ARG 51 12.665 4.241 -63.123 382 HH11 ARG 51 HH11 ARG 51 12.965 5.811 -60.023 383 HH12 ARG 51 HH12 ARG 51 14.693 5.757 -60.030 384 HH21 ARG 51 HH21 ARG 51 14.923 4.187 -63.106 385 HH22 ARG 51 HH22 ARG 51 15.797 4.844 -61.763 386 H ASN 52 HN ASN 52 11.198 1.863 -58.196 387 HA ASN 52 HA ASN 52 10.734 -0.168 -60.171 388 HB2 ASN 52 HB2 ASN 52 12.929 0.583 -58.822 389 HB3 ASN 52 HB1 ASN 52 12.414 -0.752 -57.792 390 HD21 ASN 52 HD21 ASN 52 11.346 -2.539 -59.689 391 HD22 ASN 52 HD22 ASN 52 12.576 -3.032 -60.750 392 H ALA 53 HN ALA 53 9.713 0.394 -56.903 393 HA ALA 53 HA ALA 53 9.152 -2.208 -56.047 394 HB1 ALA 53 HB1 ALA 53 7.254 -0.959 -54.747 395 HB2 ALA 53 HB2 ALA 53 8.014 0.490 -55.405 396 HB3 ALA 53 HB3 ALA 53 8.942 -0.605 -54.379 397 H VAL 54 HN VAL 54 7.128 0.061 -57.898 398 HA VAL 54 HA VAL 54 4.938 -1.808 -58.070 399 HB VAL 54 HB VAL 54 4.882 0.803 -58.194 400 HG11 VAL 54 HG11 VAL 54 5.147 0.153 -61.138 401 HG12 VAL 54 HG12 VAL 54 6.485 0.785 -60.178 402 HG13 VAL 54 HG13 VAL 54 5.021 1.744 -60.388 403 HG21 VAL 54 HG21 VAL 54 2.774 0.675 -59.377 404 HG22 VAL 54 HG22 VAL 54 2.957 -0.808 -58.441 405 HG23 VAL 54 HG23 VAL 54 3.261 -0.819 -60.178 406 H GLU 55 HN GLU 55 7.721 -0.983 -60.032 407 HA GLU 55 HA GLU 55 6.855 -2.182 -62.450 408 HB2 GLU 55 HB2 GLU 55 9.605 -1.626 -61.327 409 HB3 GLU 55 HB1 GLU 55 9.342 -2.301 -62.936 410 HG2 GLU 55 HG2 GLU 55 8.128 0.299 -61.956 411 HG3 GLU 55 HG1 GLU 55 9.586 0.192 -62.943 412 H VAL 56 HN VAL 56 8.788 -3.453 -59.733 413 HA VAL 56 HA VAL 56 9.078 -6.046 -60.901 414 HB VAL 56 HB VAL 56 10.653 -5.174 -59.214 415 HG11 VAL 56 HG11 VAL 56 8.411 -5.610 -57.224 416 HG12 VAL 56 HG12 VAL 56 8.863 -4.023 -57.847 417 HG13 VAL 56 HG13 VAL 56 10.017 -4.958 -56.898 418 HG21 VAL 56 HG21 VAL 56 10.895 -7.234 -57.989 419 HG22 VAL 56 HG22 VAL 56 10.239 -7.650 -59.572 420 HG23 VAL 56 HG23 VAL 56 9.180 -7.604 -58.163 421 H LEU 57 HN LEU 57 6.820 -4.603 -58.592 422 HA LEU 57 HA LEU 57 5.503 -6.828 -57.631 423 HB2 LEU 57 HB2 LEU 57 4.951 -4.014 -57.868 424 HB3 LEU 57 HB1 LEU 57 3.490 -4.940 -58.212 425 HG LEU 57 HG LEU 57 4.156 -6.316 -56.097 426 HD11 LEU 57 HD11 LEU 57 6.415 -5.131 -55.993 427 HD12 LEU 57 HD12 LEU 57 5.508 -5.181 -54.482 428 HD13 LEU 57 HD13 LEU 57 5.538 -3.704 -55.444 429 HD21 LEU 57 HD21 LEU 57 2.220 -4.686 -56.385 430 HD22 LEU 57 HD22 LEU 57 3.265 -3.449 -55.688 431 HD23 LEU 57 HD23 LEU 57 2.814 -4.861 -54.733 432 H LYS 58 HN LYS 58 4.634 -5.000 -60.579 433 HA LYS 58 HA LYS 58 2.616 -6.793 -61.396 434 HB2 LYS 58 HB2 LYS 58 4.259 -4.762 -62.912 435 HB3 LYS 58 HB1 LYS 58 2.971 -5.700 -63.668 436 HG2 LYS 58 HG2 LYS 58 2.488 -4.145 -61.127 437 HG3 LYS 58 HG1 LYS 58 2.346 -3.381 -62.710 438 HD2 LYS 58 HD2 LYS 58 0.728 -5.169 -63.377 439 HD3 LYS 58 HD1 LYS 58 0.802 -5.801 -61.732 440 HE2 LYS 58 HE2 LYS 58 0.020 -2.952 -62.402 441 HE3 LYS 58 HE1 LYS 58 -1.142 -4.253 -62.141 442 HZ1 LYS 58 HZ1 LYS 58 0.770 -3.089 -60.210 443 HZ2 LYS 58 HZ2 LYS 58 0.050 -4.606 -59.951 444 HZ3 LYS 58 HZ3 LYS 58 -0.916 -3.215 -60.078 445 H ARG 59 HN ARG 59 6.081 -6.736 -61.890 446 HA ARG 59 HA ARG 59 6.256 -8.578 -64.021 447 HB2 ARG 59 HB2 ARG 59 8.125 -7.127 -63.201 448 HB3 ARG 59 HB1 ARG 59 8.263 -8.179 -61.793 449 HG2 ARG 59 HG2 ARG 59 8.224 -9.580 -64.396 450 HG3 ARG 59 HG1 ARG 59 9.641 -8.569 -64.112 451 HD2 ARG 59 HD2 ARG 59 9.882 -9.692 -61.863 452 HD3 ARG 59 HD1 ARG 59 8.611 -10.809 -62.354 453 HE ARG 59 HE ARG 59 10.600 -10.776 -64.351 454 HH11 ARG 59 HH11 ARG 59 10.125 -11.770 -61.042 455 HH12 ARG 59 HH12 ARG 59 11.280 -13.053 -61.137 456 HH21 ARG 59 HH21 ARG 59 12.104 -12.459 -64.447 457 HH22 ARG 59 HH22 ARG 59 12.395 -13.443 -63.051 458 H GLU 60 HN GLU 60 6.061 -9.010 -60.522 459 HA GLU 60 HA GLU 60 5.918 -11.935 -60.946 460 HB2 GLU 60 HB2 GLU 60 7.836 -11.149 -59.559 461 HB3 GLU 60 HB1 GLU 60 6.680 -10.467 -58.413 462 HG2 GLU 60 HG2 GLU 60 5.704 -12.684 -58.039 463 HG3 GLU 60 HG1 GLU 60 6.799 -13.385 -59.229 464 HA PRO 61 HA PRO 61 1.729 -10.468 -59.537 465 HB2 PRO 61 HB2 PRO 61 0.340 -12.174 -61.183 466 HB3 PRO 61 HB1 PRO 61 0.849 -10.541 -61.653 467 HG2 PRO 61 HG2 PRO 61 2.077 -13.169 -62.308 468 HG3 PRO 61 HG1 PRO 61 1.891 -11.724 -63.316 469 HD2 PRO 61 HD2 PRO 61 4.253 -12.394 -62.121 470 HD3 PRO 61 HD1 PRO 61 3.786 -10.713 -62.456 471 H LEU 62 HN LEU 62 3.447 -13.432 -59.584 472 HA LEU 62 HA LEU 62 1.586 -15.230 -58.507 473 HB2 LEU 62 HB2 LEU 62 3.858 -15.830 -59.367 474 HB3 LEU 62 HB1 LEU 62 4.551 -15.119 -57.909 475 HG LEU 62 HG LEU 62 3.052 -16.684 -56.577 476 HD11 LEU 62 HD11 LEU 62 1.416 -17.309 -58.203 477 HD12 LEU 62 HD12 LEU 62 2.384 -18.756 -57.922 478 HD13 LEU 62 HD13 LEU 62 2.652 -17.783 -59.368 479 HD21 LEU 62 HD21 LEU 62 4.587 -18.549 -56.797 480 HD22 LEU 62 HD22 LEU 62 5.502 -17.060 -57.033 481 HD23 LEU 62 HD23 LEU 62 5.039 -18.040 -58.424 482 H ASN 63 HN ASN 63 3.758 -12.916 -56.920 483 HA ASN 63 HA ASN 63 3.379 -13.597 -54.269 484 HB2 ASN 63 HB2 ASN 63 4.095 -11.419 -53.709 485 HB3 ASN 63 HB1 ASN 63 4.858 -11.752 -55.262 486 HD21 ASN 63 HD21 ASN 63 3.530 -9.232 -53.752 487 HD22 ASN 63 HD22 ASN 63 2.719 -8.471 -55.035 488 H TYR 64 HN TYR 64 1.239 -11.810 -56.422 489 HA TYR 64 HA TYR 64 -0.624 -11.064 -54.358 490 HB2 TYR 64 HB2 TYR 64 -0.425 -9.746 -56.418 491 HB3 TYR 64 HB1 TYR 64 -0.941 -11.139 -57.368 492 HD1 TYR 64 HD1 TYR 64 -2.016 -8.822 -54.649 493 HD2 TYR 64 HD2 TYR 64 -3.238 -11.649 -57.643 494 HE1 TYR 64 HE1 TYR 64 -4.388 -8.218 -54.250 495 HE2 TYR 64 HE2 TYR 64 -5.610 -11.046 -57.244 496 HH TYR 64 HH TYR 64 -6.854 -9.923 -54.923 497 H LEU 65 HN LEU 65 -0.597 -13.518 -56.939 498 HA LEU 65 HA LEU 65 -3.093 -14.669 -56.160 499 HB2 LEU 65 HB2 LEU 65 -0.841 -15.722 -57.886 500 HB3 LEU 65 HB1 LEU 65 -2.402 -16.519 -57.699 501 HG LEU 65 HG LEU 65 -2.116 -13.650 -58.621 502 HD11 LEU 65 HD11 LEU 65 -2.472 -14.497 -60.898 503 HD12 LEU 65 HD12 LEU 65 -2.491 -16.154 -60.294 504 HD13 LEU 65 HD13 LEU 65 -1.008 -15.203 -60.213 505 HD21 LEU 65 HD21 LEU 65 -4.446 -14.207 -59.521 506 HD22 LEU 65 HD22 LEU 65 -4.310 -14.091 -57.767 507 HD23 LEU 65 HD23 LEU 65 -4.369 -15.674 -58.544 508 HA PRO 66 HA PRO 66 -2.071 -17.380 -52.845 509 HB2 PRO 66 HB2 PRO 66 -3.046 -19.688 -54.461 510 HB3 PRO 66 HB1 PRO 66 -3.554 -19.142 -52.852 511 HG2 PRO 66 HG2 PRO 66 -5.073 -18.744 -55.001 512 HG3 PRO 66 HG1 PRO 66 -4.979 -17.553 -53.692 513 HD2 PRO 66 HD2 PRO 66 -3.748 -17.461 -56.414 514 HD3 PRO 66 HD1 PRO 66 -4.356 -16.132 -55.402 515 H LEU 67 HN LEU 67 -0.313 -18.549 -52.168 516 HA LEU 67 HA LEU 67 1.327 -19.885 -54.232 517 HB2 LEU 67 HB2 LEU 67 2.024 -17.525 -52.965 518 HB3 LEU 67 HB1 LEU 67 2.860 -18.756 -52.016 519 HG LEU 67 HG LEU 67 2.954 -18.729 -55.036 520 HD11 LEU 67 HD11 LEU 67 4.739 -17.319 -53.037 521 HD12 LEU 67 HD12 LEU 67 3.876 -16.606 -54.400 522 HD13 LEU 67 HD13 LEU 67 5.245 -17.679 -54.688 523 HD21 LEU 67 HD21 LEU 67 3.624 -20.824 -54.062 524 HD22 LEU 67 HD22 LEU 67 4.585 -20.011 -52.827 525 HD23 LEU 67 HD23 LEU 67 5.106 -19.980 -54.512 Start of MODEL 17 1 H1 THR 1 HT1 THR 1 -3.574 -5.443 -0.036 2 H2 THR 1 HT2 THR 1 -3.638 -3.860 -0.650 3 H3 THR 1 HT3 THR 1 -4.005 -4.156 0.982 4 HA THR 1 HA THR 1 -1.578 -5.166 0.937 5 HB THR 1 HB THR 1 -1.822 -3.995 -1.590 6 HG1 THR 1 HG1 THR 1 -0.338 -5.552 -1.152 7 HG21 THR 1 HG21 THR 1 -0.296 -2.110 -1.599 8 HG22 THR 1 HG22 THR 1 -0.028 -2.264 0.135 9 HG23 THR 1 HG23 THR 1 -1.607 -1.760 -0.474 10 HA PRO 2 HA PRO 2 -1.410 -2.028 4.030 11 HB2 PRO 2 HB2 PRO 2 1.263 -1.784 4.499 12 HB3 PRO 2 HB1 PRO 2 0.326 -3.213 4.976 13 HG2 PRO 2 HG2 PRO 2 2.138 -2.826 2.651 14 HG3 PRO 2 HG1 PRO 2 1.900 -4.252 3.676 15 HD2 PRO 2 HD2 PRO 2 0.781 -3.958 1.170 16 HD3 PRO 2 HD1 PRO 2 0.106 -4.999 2.442 17 H ILE 3 HN ILE 3 -1.009 0.190 4.436 18 HA ILE 3 HA ILE 3 -0.868 1.866 2.164 19 HB ILE 3 HB ILE 3 -1.989 2.452 4.321 20 HG12 ILE 3 HG12 ILE 3 -1.098 4.833 4.356 21 HG13 ILE 3 HG11 ILE 3 0.133 4.308 3.208 22 HG21 ILE 3 HG21 ILE 3 -0.068 1.583 5.732 23 HG22 ILE 3 HG22 ILE 3 -0.676 3.170 6.206 24 HG23 ILE 3 HG23 ILE 3 0.822 3.038 5.285 25 HD11 ILE 3 HD11 ILE 3 -2.820 3.880 2.713 26 HD12 ILE 3 HD12 ILE 3 -1.497 3.774 1.550 27 HD13 ILE 3 HD13 ILE 3 -1.980 5.342 2.197 28 H GLU 4 HN GLU 4 0.769 3.065 1.291 29 HA GLU 4 HA GLU 4 3.412 2.130 1.491 30 HB2 GLU 4 HB2 GLU 4 4.014 4.047 0.116 31 HB3 GLU 4 HB1 GLU 4 2.495 3.363 -0.464 32 HG2 GLU 4 HG2 GLU 4 1.254 5.067 0.856 33 HG3 GLU 4 HG1 GLU 4 2.791 5.781 1.341 34 H SER 5 HN SER 5 5.204 2.848 2.581 35 HA SER 5 HA SER 5 4.769 4.191 5.070 36 HB2 SER 5 HB2 SER 5 7.129 3.862 5.444 37 HB3 SER 5 HB1 SER 5 6.491 2.407 4.684 38 HG SER 5 HG SER 5 8.497 3.788 3.857 39 H HIS 6 HN HIS 6 5.957 6.122 5.762 40 HA HIS 6 HA HIS 6 5.504 8.320 4.042 41 HB2 HIS 6 HB2 HIS 6 6.536 9.662 5.771 42 HB3 HIS 6 HB1 HIS 6 5.536 8.429 6.540 43 HD1 HIS 6 HD1 HIS 6 9.143 9.302 5.845 44 HD2 HIS 6 HD2 HIS 6 6.960 6.526 8.062 45 HE1 HIS 6 HE1 HIS 6 10.806 8.112 7.339 46 HE2 HIS 6 HE2 HIS 6 9.491 6.416 8.697 47 H GLN 7 HN GLN 7 8.222 6.211 4.477 48 HA GLN 7 HA GLN 7 10.251 7.927 3.464 49 HB2 GLN 7 HB2 GLN 7 10.743 5.880 4.752 50 HB3 GLN 7 HB1 GLN 7 10.107 4.903 3.428 51 HG2 GLN 7 HG2 GLN 7 11.817 5.763 1.917 52 HG3 GLN 7 HG1 GLN 7 12.415 6.851 3.169 53 HE21 GLN 7 HE21 GLN 7 13.312 4.089 1.704 54 HE22 GLN 7 HE22 GLN 7 14.043 3.270 2.999 55 H VAL 8 HN VAL 8 10.966 8.288 1.415 56 HA VAL 8 HA VAL 8 9.527 6.936 -0.786 57 HB VAL 8 HB VAL 8 8.638 9.207 -0.509 58 HG11 VAL 8 HG11 VAL 8 10.604 10.212 0.580 59 HG12 VAL 8 HG12 VAL 8 10.144 11.144 -0.845 60 HG13 VAL 8 HG13 VAL 8 11.525 10.050 -0.916 61 HG21 VAL 8 HG21 VAL 8 9.034 8.155 -2.797 62 HG22 VAL 8 HG22 VAL 8 10.495 9.137 -2.901 63 HG23 VAL 8 HG23 VAL 8 8.916 9.914 -2.786 64 H GLU 9 HN GLU 9 10.734 6.390 -2.564 65 HA GLU 9 HA GLU 9 13.557 7.210 -2.630 66 HB2 GLU 9 HB2 GLU 9 13.839 4.647 -3.404 67 HB3 GLU 9 HB1 GLU 9 14.046 5.170 -1.735 68 HG2 GLU 9 HG2 GLU 9 12.562 3.184 -1.925 69 HG3 GLU 9 HG1 GLU 9 11.732 4.567 -1.221 70 H LYS 10 HN LYS 10 12.643 8.559 -4.357 71 HA LYS 10 HA LYS 10 11.488 7.440 -6.689 72 HB2 LYS 10 HB2 LYS 10 11.345 9.586 -7.397 73 HB3 LYS 10 HB1 LYS 10 11.816 9.971 -5.748 74 HG2 LYS 10 HG2 LYS 10 13.740 9.707 -8.093 75 HG3 LYS 10 HG1 LYS 10 13.158 11.217 -7.415 76 HD2 LYS 10 HD2 LYS 10 14.609 11.143 -5.692 77 HD3 LYS 10 HD1 LYS 10 14.266 9.448 -5.363 78 HE2 LYS 10 HE2 LYS 10 15.648 9.012 -7.545 79 HE3 LYS 10 HE1 LYS 10 16.278 10.633 -7.254 80 HZ1 LYS 10 HZ1 LYS 10 16.547 8.214 -5.600 81 HZ2 LYS 10 HZ2 LYS 10 16.635 9.746 -4.871 82 HZ3 LYS 10 HZ3 LYS 10 17.740 9.317 -6.088 83 H ARG 11 HN ARG 11 12.539 7.554 -8.874 84 HA ARG 11 HA ARG 11 15.408 6.920 -8.780 85 HB2 ARG 11 HB2 ARG 11 14.814 5.090 -10.553 86 HB3 ARG 11 HB1 ARG 11 14.648 4.728 -8.839 87 HG2 ARG 11 HG2 ARG 11 12.661 3.938 -9.961 88 HG3 ARG 11 HG1 ARG 11 12.202 5.352 -9.023 89 HD2 ARG 11 HD2 ARG 11 13.113 5.941 -11.768 90 HD3 ARG 11 HD1 ARG 11 11.632 4.997 -11.676 91 HE ARG 11 HE ARG 11 11.912 7.767 -11.031 92 HH11 ARG 11 HH11 ARG 11 10.252 4.835 -10.132 93 HH12 ARG 11 HH12 ARG 11 8.879 5.669 -9.492 94 HH21 ARG 11 HH21 ARG 11 10.105 8.830 -10.189 95 HH22 ARG 11 HH22 ARG 11 8.793 7.916 -9.523 96 H LYS 12 HN LYS 12 16.332 6.786 -11.045 97 HA LYS 12 HA LYS 12 15.869 9.212 -12.390 98 HB2 LYS 12 HB2 LYS 12 17.479 8.478 -13.972 99 HB3 LYS 12 HB1 LYS 12 17.967 7.759 -12.437 100 HG2 LYS 12 HG2 LYS 12 16.666 5.688 -13.112 101 HG3 LYS 12 HG1 LYS 12 16.497 6.409 -14.713 102 HD2 LYS 12 HD2 LYS 12 18.427 5.090 -14.943 103 HD3 LYS 12 HD1 LYS 12 19.085 6.691 -14.602 104 HE2 LYS 12 HE2 LYS 12 20.232 5.079 -13.196 105 HE3 LYS 12 HE1 LYS 12 19.188 6.065 -12.174 106 HZ1 LYS 12 HZ1 LYS 12 19.152 3.513 -11.924 107 HZ2 LYS 12 HZ2 LYS 12 18.180 3.547 -13.318 108 HZ3 LYS 12 HZ3 LYS 12 17.683 4.361 -11.912 109 H CYS 13 HN CYS 13 14.835 9.712 -14.309 110 HA CYS 13 HA CYS 13 12.461 8.241 -14.893 111 HB2 CYS 13 HB2 CYS 13 13.672 10.773 -15.686 112 HB3 CYS 13 HB1 CYS 13 12.869 9.967 -17.033 113 H ASN 14 HN ASN 14 13.269 6.138 -15.426 114 HA ASN 14 HA ASN 14 14.605 5.979 -18.054 115 HB2 ASN 14 HB2 ASN 14 15.179 3.648 -17.391 116 HB3 ASN 14 HB1 ASN 14 15.858 4.858 -16.304 117 HD21 ASN 14 HD21 ASN 14 15.294 4.709 -14.103 118 HD22 ASN 14 HD22 ASN 14 14.122 3.642 -13.494 119 H THR 15 HN THR 15 11.870 4.792 -16.151 120 HA THR 15 HA THR 15 10.799 2.904 -17.856 121 HB THR 15 HB THR 15 9.895 3.505 -15.605 122 HG1 THR 15 HG1 THR 15 8.588 2.255 -16.827 123 HG21 THR 15 HG21 THR 15 8.325 5.685 -16.950 124 HG22 THR 15 HG22 THR 15 9.908 6.045 -16.261 125 HG23 THR 15 HG23 THR 15 8.616 5.427 -15.233 126 H ALA 16 HN ALA 16 9.253 2.969 -19.533 127 HA ALA 16 HA ALA 16 9.692 5.001 -21.466 128 HB1 ALA 16 HB1 ALA 16 7.473 2.949 -21.428 129 HB2 ALA 16 HB2 ALA 16 9.120 2.614 -21.965 130 HB3 ALA 16 HB3 ALA 16 8.130 3.786 -22.835 131 H THR 17 HN THR 17 7.523 4.827 -18.813 132 HA THR 17 HA THR 17 5.366 6.334 -19.905 133 HB THR 17 HB THR 17 6.243 5.991 -17.028 134 HG1 THR 17 HG1 THR 17 5.713 4.043 -17.993 135 HG21 THR 17 HG21 THR 17 3.803 6.539 -16.613 136 HG22 THR 17 HG22 THR 17 3.711 7.056 -18.296 137 HG23 THR 17 HG23 THR 17 4.785 7.892 -17.174 138 H CYS 18 HN CYS 18 8.300 7.203 -18.123 139 HA CYS 18 HA CYS 18 7.696 9.940 -17.764 140 HB2 CYS 18 HB2 CYS 18 9.508 8.597 -16.599 141 HB3 CYS 18 HB1 CYS 18 10.463 8.771 -18.071 142 H ALA 19 HN ALA 19 9.636 8.275 -20.249 143 HA ALA 19 HA ALA 19 10.273 10.603 -21.725 144 HB1 ALA 19 HB1 ALA 19 11.255 8.177 -21.840 145 HB2 ALA 19 HB2 ALA 19 11.208 9.169 -23.297 146 HB3 ALA 19 HB3 ALA 19 9.987 7.923 -23.039 147 H THR 20 HN THR 20 7.614 8.275 -21.980 148 HA THR 20 HA THR 20 6.471 9.018 -24.366 149 HB THR 20 HB THR 20 5.193 8.167 -21.772 150 HG1 THR 20 HG1 THR 20 6.532 6.761 -23.167 151 HG21 THR 20 HG21 THR 20 3.924 8.771 -24.448 152 HG22 THR 20 HG22 THR 20 3.470 9.406 -22.866 153 HG23 THR 20 HG23 THR 20 3.170 7.712 -23.255 154 H GLN 21 HN GLN 21 6.330 10.733 -21.287 155 HA GLN 21 HA GLN 21 4.360 12.621 -22.232 156 HB2 GLN 21 HB2 GLN 21 4.245 13.330 -20.080 157 HB3 GLN 21 HB1 GLN 21 5.081 11.812 -19.755 158 HG2 GLN 21 HG2 GLN 21 7.262 13.112 -20.068 159 HG3 GLN 21 HG1 GLN 21 6.282 14.576 -20.007 160 HE21 GLN 21 HE21 GLN 21 7.584 11.933 -18.086 161 HE22 GLN 21 HE22 GLN 21 7.054 12.521 -16.585 162 H ARG 22 HN ARG 22 7.851 12.433 -22.199 163 HA ARG 22 HA ARG 22 8.270 15.247 -22.534 164 HB2 ARG 22 HB2 ARG 22 10.509 14.784 -22.505 165 HB3 ARG 22 HB1 ARG 22 9.912 13.318 -21.740 166 HG2 ARG 22 HG2 ARG 22 11.271 12.366 -23.333 167 HG3 ARG 22 HG1 ARG 22 9.803 12.490 -24.291 168 HD2 ARG 22 HD2 ARG 22 10.956 13.747 -25.761 169 HD3 ARG 22 HD1 ARG 22 11.054 14.998 -24.526 170 HE ARG 22 HE ARG 22 13.273 14.410 -24.175 171 HH11 ARG 22 HH11 ARG 22 11.638 11.928 -26.000 172 HH12 ARG 22 HH12 ARG 22 13.091 11.053 -26.337 173 HH21 ARG 22 HH21 ARG 22 15.155 13.246 -24.631 174 HH22 ARG 22 HH22 ARG 22 15.071 11.792 -25.568 175 H LEU 23 HN LEU 23 7.541 12.629 -24.696 176 HA LEU 23 HA LEU 23 8.374 14.130 -27.043 177 HB2 LEU 23 HB2 LEU 23 7.838 12.235 -28.326 178 HB3 LEU 23 HB1 LEU 23 8.458 11.571 -26.818 179 HG LEU 23 HG LEU 23 5.815 11.770 -26.208 180 HD11 LEU 23 HD11 LEU 23 5.442 12.534 -28.635 181 HD12 LEU 23 HD12 LEU 23 4.455 11.183 -28.082 182 HD13 LEU 23 HD13 LEU 23 5.861 10.887 -29.104 183 HD21 LEU 23 HD21 LEU 23 5.756 9.388 -26.475 184 HD22 LEU 23 HD22 LEU 23 7.424 9.801 -26.076 185 HD23 LEU 23 HD23 LEU 23 6.980 9.437 -27.744 186 H ALA 24 HN ALA 24 5.483 13.618 -25.185 187 HA ALA 24 HA ALA 24 3.545 14.297 -27.105 188 HB1 ALA 24 HB1 ALA 24 3.262 15.169 -24.252 189 HB2 ALA 24 HB2 ALA 24 3.312 13.447 -24.631 190 HB3 ALA 24 HB3 ALA 24 2.056 14.467 -25.332 191 H ASN 25 HN ASN 25 5.226 16.368 -24.730 192 HA ASN 25 HA ASN 25 4.072 18.796 -25.602 193 HB2 ASN 25 HB2 ASN 25 6.628 18.177 -24.117 194 HB3 ASN 25 HB1 ASN 25 6.074 19.820 -24.432 195 HD21 ASN 25 HD21 ASN 25 6.309 18.590 -21.768 196 HD22 ASN 25 HD22 ASN 25 4.745 18.560 -21.109 197 H PHE 26 HN PHE 26 7.042 17.098 -26.513 198 HA PHE 26 HA PHE 26 8.116 19.129 -28.159 199 HB2 PHE 26 HB2 PHE 26 9.431 17.203 -27.350 200 HB3 PHE 26 HB1 PHE 26 8.480 16.130 -28.375 201 HD1 PHE 26 HD1 PHE 26 10.770 19.071 -28.439 202 HD2 PHE 26 HD2 PHE 26 8.970 15.882 -30.685 203 HE1 PHE 26 HE1 PHE 26 12.255 19.584 -30.357 204 HE2 PHE 26 HE2 PHE 26 10.455 16.396 -32.603 205 HZ PHE 26 HZ PHE 26 12.098 18.246 -32.440 206 H LEU 27 HN LEU 27 5.831 16.514 -28.774 207 HA LEU 27 HA LEU 27 5.760 16.571 -31.559 208 HB2 LEU 27 HB2 LEU 27 4.631 14.851 -30.259 209 HB3 LEU 27 HB1 LEU 27 3.553 16.041 -29.549 210 HG LEU 27 HG LEU 27 2.743 14.542 -31.550 211 HD11 LEU 27 HD11 LEU 27 2.152 17.476 -31.883 212 HD12 LEU 27 HD12 LEU 27 1.648 16.625 -30.423 213 HD13 LEU 27 HD13 LEU 27 1.062 16.096 -31.998 214 HD21 LEU 27 HD21 LEU 27 4.780 15.341 -32.938 215 HD22 LEU 27 HD22 LEU 27 3.861 16.826 -33.173 216 HD23 LEU 27 HD23 LEU 27 3.208 15.289 -33.733 217 H VAL 28 HN VAL 28 3.443 18.186 -29.364 218 HA VAL 28 HA VAL 28 2.314 19.803 -31.388 219 HB VAL 28 HB VAL 28 1.238 21.015 -29.549 220 HG11 VAL 28 HG11 VAL 28 0.522 18.676 -30.272 221 HG12 VAL 28 HG12 VAL 28 0.009 19.166 -28.658 222 HG13 VAL 28 HG13 VAL 28 1.379 18.073 -28.854 223 HG21 VAL 28 HG21 VAL 28 3.078 19.373 -27.776 224 HG22 VAL 28 HG22 VAL 28 1.796 20.448 -27.217 225 HG23 VAL 28 HG23 VAL 28 3.205 21.112 -28.044 226 H HIS 29 HN HIS 29 5.219 20.102 -29.562 227 HA HIS 29 HA HIS 29 5.415 22.983 -29.875 228 HB2 HIS 29 HB2 HIS 29 6.347 21.867 -27.876 229 HB3 HIS 29 HB1 HIS 29 7.474 20.986 -28.907 230 HD1 HIS 29 HD1 HIS 29 6.526 24.612 -28.176 231 HD2 HIS 29 HD2 HIS 29 9.834 22.357 -29.336 232 HE1 HIS 29 HE1 HIS 29 8.484 26.215 -28.280 233 HE2 HIS 29 HE2 HIS 29 10.509 24.855 -28.986 234 H SER 30 HN SER 30 6.097 20.255 -31.809 235 HA SER 30 HA SER 30 8.310 21.474 -33.239 236 HB2 SER 30 HB2 SER 30 8.246 19.043 -32.938 237 HB3 SER 30 HB1 SER 30 6.710 18.967 -33.798 238 HG SER 30 HG SER 30 9.186 19.919 -34.824 239 H SER 31 HN SER 31 5.431 22.618 -33.157 240 HA SER 31 HA SER 31 4.268 22.390 -35.699 241 HB2 SER 31 HB2 SER 31 3.095 23.377 -33.790 242 HB3 SER 31 HB1 SER 31 4.225 24.728 -33.778 243 HG SER 31 HG SER 31 2.728 25.533 -35.055 244 H ASN 32 HN ASN 32 6.793 24.507 -34.456 245 HA ASN 32 HA ASN 32 6.958 26.066 -36.890 246 HB2 ASN 32 HB2 ASN 32 8.983 27.047 -35.745 247 HB3 ASN 32 HB1 ASN 32 7.470 27.215 -34.857 248 HD21 ASN 32 HD21 ASN 32 10.682 26.297 -34.479 249 HD22 ASN 32 HD22 ASN 32 10.513 25.330 -33.094 250 H ASN 33 HN ASN 33 9.071 23.722 -35.230 251 HA ASN 33 HA ASN 33 11.117 23.661 -37.155 252 HB2 ASN 33 HB2 ASN 33 10.151 21.585 -35.187 253 HB3 ASN 33 HB1 ASN 33 11.580 21.364 -36.196 254 HD21 ASN 33 HD21 ASN 33 13.147 23.413 -36.064 255 HD22 ASN 33 HD22 ASN 33 13.400 24.020 -34.500 256 H PHE 34 HN PHE 34 8.186 21.665 -36.872 257 HA PHE 34 HA PHE 34 8.561 19.791 -38.804 258 HB2 PHE 34 HB2 PHE 34 6.532 19.943 -37.443 259 HB3 PHE 34 HB1 PHE 34 6.028 21.376 -38.339 260 HD1 PHE 34 HD1 PHE 34 7.329 17.941 -39.143 261 HD2 PHE 34 HD2 PHE 34 4.439 21.004 -39.994 262 HE1 PHE 34 HE1 PHE 34 6.306 16.495 -40.879 263 HE2 PHE 34 HE2 PHE 34 3.418 19.559 -41.730 264 HZ PHE 34 HZ PHE 34 4.351 17.304 -42.173 265 H GLY 35 HN GLY 35 7.119 23.009 -39.439 266 HA2 GLY 35 HA2 GLY 35 7.026 22.704 -42.234 267 HA3 GLY 35 HA1 GLY 35 6.968 24.238 -41.397 268 H ALA 36 HN ALA 36 9.539 23.778 -40.059 269 HA ALA 36 HA ALA 36 11.259 25.012 -41.945 270 HB1 ALA 36 HB1 ALA 36 12.799 25.147 -40.226 271 HB2 ALA 36 HB2 ALA 36 12.373 23.563 -39.578 272 HB3 ALA 36 HB3 ALA 36 11.311 24.943 -39.301 273 H ILE 37 HN ILE 37 11.034 21.672 -40.758 274 HA ILE 37 HA ILE 37 13.283 20.732 -42.255 275 HB ILE 37 HB ILE 37 11.011 19.414 -40.794 276 HG12 ILE 37 HG12 ILE 37 13.233 18.343 -39.796 277 HG13 ILE 37 HG11 ILE 37 13.966 19.793 -40.482 278 HG21 ILE 37 HG21 ILE 37 12.213 17.229 -41.387 279 HG22 ILE 37 HG22 ILE 37 13.004 18.134 -42.678 280 HG23 ILE 37 HG23 ILE 37 11.249 17.957 -42.671 281 HD11 ILE 37 HD11 ILE 37 13.162 19.990 -38.065 282 HD12 ILE 37 HD12 ILE 37 11.521 19.901 -38.705 283 HD13 ILE 37 HD13 ILE 37 12.581 21.231 -39.174 284 H LEU 38 HN LEU 38 9.771 20.685 -42.818 285 HA LEU 38 HA LEU 38 9.826 19.208 -45.209 286 HB2 LEU 38 HB2 LEU 38 7.751 19.662 -43.981 287 HB3 LEU 38 HB1 LEU 38 7.896 21.380 -44.349 288 HG LEU 38 HG LEU 38 7.790 20.837 -46.781 289 HD11 LEU 38 HD11 LEU 38 8.630 18.595 -46.839 290 HD12 LEU 38 HD12 LEU 38 6.936 18.494 -47.319 291 HD13 LEU 38 HD13 LEU 38 7.418 18.041 -45.684 292 HD21 LEU 38 HD21 LEU 38 5.418 20.446 -46.831 293 HD22 LEU 38 HD22 LEU 38 5.749 21.357 -45.358 294 HD23 LEU 38 HD23 LEU 38 5.462 19.619 -45.273 295 H SER 39 HN SER 39 9.796 22.701 -44.644 296 HA SER 39 HA SER 39 9.859 23.681 -47.215 297 HB2 SER 39 HB2 SER 39 11.366 24.721 -44.808 298 HB3 SER 39 HB1 SER 39 11.087 25.629 -46.291 299 HG SER 39 HG SER 39 9.527 25.973 -44.561 300 H SER 40 HN SER 40 12.410 22.106 -45.425 301 HA SER 40 HA SER 40 14.427 22.782 -47.428 302 HB2 SER 40 HB2 SER 40 14.608 21.114 -44.910 303 HB3 SER 40 HB1 SER 40 15.966 21.543 -45.947 304 HG SER 40 HG SER 40 15.628 22.957 -44.113 305 H THR 41 HN THR 41 12.186 21.211 -48.309 306 HA THR 41 HA THR 41 12.625 18.457 -48.387 307 HB THR 41 HB THR 41 10.582 19.680 -49.211 308 HG1 THR 41 HG1 THR 41 10.251 18.173 -50.879 309 HG21 THR 41 HG21 THR 41 10.582 20.583 -51.449 310 HG22 THR 41 HG22 THR 41 12.242 20.051 -51.715 311 HG23 THR 41 HG23 THR 41 11.904 21.344 -50.564 312 H ASN 42 HN ASN 42 14.347 21.016 -49.952 313 HA ASN 42 HA ASN 42 15.495 19.323 -52.007 314 HB2 ASN 42 HB2 ASN 42 16.738 21.285 -52.664 315 HB3 ASN 42 HB1 ASN 42 15.069 21.758 -52.348 316 HD21 ASN 42 HD21 ASN 42 16.994 23.764 -52.206 317 HD22 ASN 42 HD22 ASN 42 17.254 24.206 -50.588 318 H VAL 43 HN VAL 43 15.932 19.160 -48.844 319 HA VAL 43 HA VAL 43 18.830 19.294 -48.716 320 HB VAL 43 HB VAL 43 17.253 19.886 -46.803 321 HG11 VAL 43 HG11 VAL 43 17.164 16.882 -46.446 322 HG12 VAL 43 HG12 VAL 43 15.849 17.792 -47.188 323 HG13 VAL 43 HG13 VAL 43 16.303 18.106 -45.513 324 HG21 VAL 43 HG21 VAL 43 19.458 17.837 -46.431 325 HG22 VAL 43 HG22 VAL 43 18.751 18.769 -45.111 326 HG23 VAL 43 HG23 VAL 43 19.627 19.592 -46.402 327 H GLY 44 HN GLY 44 16.386 16.951 -49.399 328 HA2 GLY 44 HA2 GLY 44 17.401 14.965 -50.605 329 HA3 GLY 44 HA1 GLY 44 18.355 14.760 -49.139 330 H SER 45 HN SER 45 15.091 15.882 -48.839 331 HA SER 45 HA SER 45 14.234 13.186 -47.977 332 HB2 SER 45 HB2 SER 45 12.915 14.265 -46.202 333 HB3 SER 45 HB1 SER 45 14.629 14.630 -46.027 334 HG SER 45 HG SER 45 13.669 16.572 -45.877 335 H ASN 46 HN ASN 46 13.890 14.426 -50.570 336 HA ASN 46 HA ASN 46 11.076 15.218 -50.649 337 HB2 ASN 46 HB2 ASN 46 11.501 15.667 -53.025 338 HB3 ASN 46 HB1 ASN 46 12.690 16.477 -52.007 339 HD21 ASN 46 HD21 ASN 46 13.713 16.242 -54.422 340 HD22 ASN 46 HD22 ASN 46 14.739 14.901 -54.599 341 H THR 47 HN THR 47 11.952 12.452 -49.951 342 HA THR 47 HA THR 47 11.048 10.877 -52.243 343 HB THR 47 HB THR 47 11.676 9.726 -49.545 344 HG1 THR 47 HG1 THR 47 13.573 10.466 -51.516 345 HG21 THR 47 HG21 THR 47 10.821 8.379 -51.525 346 HG22 THR 47 HG22 THR 47 12.348 7.826 -50.837 347 HG23 THR 47 HG23 THR 47 12.341 8.760 -52.332 348 H TYR 48 HN TYR 48 9.220 12.709 -50.762 349 HA TYR 48 HA TYR 48 7.211 10.688 -49.973 350 HB2 TYR 48 HB2 TYR 48 6.356 12.212 -48.295 351 HB3 TYR 48 HB1 TYR 48 8.083 11.978 -48.019 352 HD1 TYR 48 HD1 TYR 48 5.471 14.363 -48.793 353 HD2 TYR 48 HD2 TYR 48 9.715 13.714 -48.882 354 HE1 TYR 48 HE1 TYR 48 5.839 16.805 -49.015 355 HE2 TYR 48 HE2 TYR 48 10.084 16.156 -49.103 356 HH TYR 48 HH TYR 48 8.002 18.244 -50.106 357 H GLY 49 HN GLY 49 7.801 12.093 -52.555 358 HA2 GLY 49 HA2 GLY 49 6.083 14.153 -53.187 359 HA3 GLY 49 HA1 GLY 49 6.520 12.869 -54.311 360 H LYS 50 HN LYS 50 3.953 14.404 -53.086 361 HA LYS 50 HA LYS 50 2.182 12.330 -52.309 362 HB2 LYS 50 HB2 LYS 50 1.699 15.101 -53.413 363 HB3 LYS 50 HB1 LYS 50 0.403 14.037 -52.864 364 HG2 LYS 50 HG2 LYS 50 1.585 13.859 -50.649 365 HG3 LYS 50 HG1 LYS 50 2.715 15.091 -51.212 366 HD2 LYS 50 HD2 LYS 50 -0.285 15.498 -51.157 367 HD3 LYS 50 HD1 LYS 50 0.779 15.976 -49.834 368 HE2 LYS 50 HE2 LYS 50 0.984 16.941 -52.703 369 HE3 LYS 50 HE1 LYS 50 0.364 17.877 -51.345 370 HZ1 LYS 50 HZ1 LYS 50 3.125 16.914 -51.790 371 HZ2 LYS 50 HZ2 LYS 50 2.586 17.438 -50.266 372 HZ3 LYS 50 HZ3 LYS 50 2.591 18.510 -51.584 373 H ARG 51 HN ARG 51 2.996 13.769 -55.425 374 HA ARG 51 HA ARG 51 0.928 12.596 -56.945 375 HB2 ARG 51 HB2 ARG 51 2.240 13.175 -58.878 376 HB3 ARG 51 HB1 ARG 51 2.427 14.465 -57.691 377 HG2 ARG 51 HG2 ARG 51 4.557 13.420 -56.931 378 HG3 ARG 51 HG1 ARG 51 4.384 12.203 -58.195 379 HD2 ARG 51 HD2 ARG 51 5.830 13.862 -59.096 380 HD3 ARG 51 HD1 ARG 51 4.271 14.129 -59.859 381 HE ARG 51 HE ARG 51 5.543 15.828 -57.830 382 HH11 ARG 51 HH11 ARG 51 2.754 15.160 -59.835 383 HH12 ARG 51 HH12 ARG 51 2.122 16.759 -59.678 384 HH21 ARG 51 HH21 ARG 51 4.687 17.902 -57.663 385 HH22 ARG 51 HH22 ARG 51 3.200 18.298 -58.457 386 H ASN 52 HN ASN 52 3.748 11.232 -55.523 387 HA ASN 52 HA ASN 52 4.053 9.043 -57.355 388 HB2 ASN 52 HB2 ASN 52 5.690 10.077 -55.511 389 HB3 ASN 52 HB1 ASN 52 4.969 8.799 -54.534 390 HD21 ASN 52 HD21 ASN 52 4.610 6.789 -56.510 391 HD22 ASN 52 HD22 ASN 52 6.135 6.303 -57.077 392 H ALA 53 HN ALA 53 2.157 9.659 -54.484 393 HA ALA 53 HA ALA 53 1.510 7.039 -53.739 394 HB1 ALA 53 HB1 ALA 53 -0.403 8.007 -52.610 395 HB2 ALA 53 HB2 ALA 53 -0.284 9.470 -53.588 396 HB3 ALA 53 HB3 ALA 53 0.980 9.084 -52.420 397 H VAL 54 HN VAL 54 0.001 9.184 -56.138 398 HA VAL 54 HA VAL 54 -2.117 7.359 -56.758 399 HB VAL 54 HB VAL 54 -1.830 9.971 -57.215 400 HG11 VAL 54 HG11 VAL 54 -1.174 8.775 -59.917 401 HG12 VAL 54 HG12 VAL 54 0.061 9.444 -58.852 402 HG13 VAL 54 HG13 VAL 54 -1.224 10.480 -59.468 403 HG21 VAL 54 HG21 VAL 54 -3.740 9.810 -58.662 404 HG22 VAL 54 HG22 VAL 54 -3.843 8.448 -57.545 405 HG23 VAL 54 HG23 VAL 54 -3.277 8.194 -59.196 406 H GLU 55 HN GLU 55 1.159 7.805 -57.929 407 HA GLU 55 HA GLU 55 0.943 6.413 -60.365 408 HB2 GLU 55 HB2 GLU 55 3.251 6.763 -58.448 409 HB3 GLU 55 HB1 GLU 55 3.411 5.963 -60.012 410 HG2 GLU 55 HG2 GLU 55 2.313 8.764 -59.651 411 HG3 GLU 55 HG1 GLU 55 3.989 8.409 -60.068 412 H VAL 56 HN VAL 56 1.931 5.222 -57.147 413 HA VAL 56 HA VAL 56 2.060 2.493 -57.983 414 HB VAL 56 HB VAL 56 3.326 3.310 -56.041 415 HG11 VAL 56 HG11 VAL 56 0.649 3.502 -54.635 416 HG12 VAL 56 HG12 VAL 56 1.518 4.899 -55.271 417 HG13 VAL 56 HG13 VAL 56 2.231 3.929 -53.984 418 HG21 VAL 56 HG21 VAL 56 2.920 1.417 -54.620 419 HG22 VAL 56 HG22 VAL 56 2.536 0.901 -56.262 420 HG23 VAL 56 HG23 VAL 56 1.238 1.310 -55.140 421 H LEU 57 HN LEU 57 -0.423 4.464 -56.394 422 HA LEU 57 HA LEU 57 -2.249 2.483 -55.702 423 HB2 LEU 57 HB2 LEU 57 -2.302 5.358 -56.135 424 HB3 LEU 57 HB1 LEU 57 -3.810 4.591 -56.632 425 HG LEU 57 HG LEU 57 -3.642 3.316 -54.370 426 HD11 LEU 57 HD11 LEU 57 -1.265 4.179 -54.011 427 HD12 LEU 57 HD12 LEU 57 -2.362 4.362 -52.643 428 HD13 LEU 57 HD13 LEU 57 -1.988 5.750 -53.664 429 HD21 LEU 57 HD21 LEU 57 -5.308 5.090 -54.946 430 HD22 LEU 57 HD22 LEU 57 -4.170 6.305 -54.364 431 HD23 LEU 57 HD23 LEU 57 -4.845 5.121 -53.244 432 H LYS 58 HN LYS 58 -1.906 4.179 -58.825 433 HA LYS 58 HA LYS 58 -4.071 2.824 -60.061 434 HB2 LYS 58 HB2 LYS 58 -1.671 4.273 -61.193 435 HB3 LYS 58 HB1 LYS 58 -2.941 3.586 -62.206 436 HG2 LYS 58 HG2 LYS 58 -3.566 5.484 -59.940 437 HG3 LYS 58 HG1 LYS 58 -3.195 6.062 -61.564 438 HD2 LYS 58 HD2 LYS 58 -5.020 4.543 -62.428 439 HD3 LYS 58 HD1 LYS 58 -5.465 4.230 -60.750 440 HE2 LYS 58 HE2 LYS 58 -5.332 6.993 -61.989 441 HE3 LYS 58 HE1 LYS 58 -6.817 6.060 -61.801 442 HZ1 LYS 58 HZ1 LYS 58 -6.163 5.915 -59.366 443 HZ2 LYS 58 HZ2 LYS 58 -6.725 7.417 -59.926 444 HZ3 LYS 58 HZ3 LYS 58 -5.062 7.163 -59.694 445 H ARG 59 HN ARG 59 -0.603 2.185 -59.864 446 HA ARG 59 HA ARG 59 -0.552 -0.001 -61.674 447 HB2 ARG 59 HB2 ARG 59 1.441 1.315 -60.810 448 HB3 ARG 59 HB1 ARG 59 1.293 0.390 -59.315 449 HG2 ARG 59 HG2 ARG 59 1.231 -1.255 -61.759 450 HG3 ARG 59 HG1 ARG 59 2.756 -0.409 -61.497 451 HD2 ARG 59 HD2 ARG 59 2.896 -1.328 -59.225 452 HD3 ARG 59 HD1 ARG 59 1.350 -2.142 -59.445 453 HE ARG 59 HE ARG 59 3.096 -2.936 -61.514 454 HH11 ARG 59 HH11 ARG 59 2.683 -3.249 -58.065 455 HH12 ARG 59 HH12 ARG 59 3.465 -4.789 -57.992 456 HH21 ARG 59 HH21 ARG 59 4.111 -4.950 -61.389 457 HH22 ARG 59 HH22 ARG 59 4.270 -5.748 -59.860 458 H GLU 60 HN GLU 60 -1.537 0.329 -58.366 459 HA GLU 60 HA GLU 60 -1.677 -2.599 -58.045 460 HB2 GLU 60 HB2 GLU 60 -1.806 -0.345 -56.037 461 HB3 GLU 60 HB1 GLU 60 -2.076 -2.041 -55.634 462 HG2 GLU 60 HG2 GLU 60 0.432 -1.037 -57.002 463 HG3 GLU 60 HG1 GLU 60 0.293 -1.231 -55.255 464 HA PRO 61 HA PRO 61 -6.052 -1.348 -58.984 465 HB2 PRO 61 HB2 PRO 61 -6.749 -3.833 -59.972 466 HB3 PRO 61 HB1 PRO 61 -6.107 -2.504 -60.954 467 HG2 PRO 61 HG2 PRO 61 -4.722 -4.895 -59.866 468 HG3 PRO 61 HG1 PRO 61 -4.504 -4.067 -61.417 469 HD2 PRO 61 HD2 PRO 61 -2.772 -3.760 -59.342 470 HD3 PRO 61 HD1 PRO 61 -3.089 -2.467 -60.520 471 H LEU 62 HN LEU 62 -4.572 -3.568 -56.883 472 HA LEU 62 HA LEU 62 -6.759 -5.004 -55.855 473 HB2 LEU 62 HB2 LEU 62 -4.357 -5.457 -55.324 474 HB3 LEU 62 HB1 LEU 62 -4.349 -4.009 -54.316 475 HG LEU 62 HG LEU 62 -6.600 -5.814 -53.760 476 HD11 LEU 62 HD11 LEU 62 -4.714 -7.407 -54.353 477 HD12 LEU 62 HD12 LEU 62 -5.331 -7.566 -52.709 478 HD13 LEU 62 HD13 LEU 62 -3.811 -6.721 -53.002 479 HD21 LEU 62 HD21 LEU 62 -5.669 -5.428 -51.415 480 HD22 LEU 62 HD22 LEU 62 -6.155 -3.974 -52.287 481 HD23 LEU 62 HD23 LEU 62 -4.448 -4.400 -52.166 482 H ASN 63 HN ASN 63 -5.463 -1.806 -55.010 483 HA ASN 63 HA ASN 63 -7.422 -1.385 -52.935 484 HB2 ASN 63 HB2 ASN 63 -6.343 0.630 -52.525 485 HB3 ASN 63 HB1 ASN 63 -5.036 -0.347 -53.191 486 HD21 ASN 63 HD21 ASN 63 -7.055 2.456 -53.750 487 HD22 ASN 63 HD22 ASN 63 -6.339 2.918 -55.218 488 H TYR 64 HN TYR 64 -7.513 -1.221 -56.317 489 HA TYR 64 HA TYR 64 -9.284 1.018 -56.608 490 HB2 TYR 64 HB2 TYR 64 -7.833 0.162 -58.442 491 HB3 TYR 64 HB1 TYR 64 -8.820 -1.298 -58.498 492 HD1 TYR 64 HD1 TYR 64 -8.974 2.417 -58.817 493 HD2 TYR 64 HD2 TYR 64 -10.873 -1.339 -59.675 494 HE1 TYR 64 HE1 TYR 64 -10.614 3.578 -60.271 495 HE2 TYR 64 HE2 TYR 64 -12.513 -0.179 -61.129 496 HH TYR 64 HH TYR 64 -12.784 3.270 -61.203 497 H LEU 65 HN LEU 65 -9.669 -2.485 -56.315 498 HA LEU 65 HA LEU 65 -12.491 -2.474 -56.769 499 HB2 LEU 65 HB2 LEU 65 -10.665 -4.515 -55.479 500 HB3 LEU 65 HB1 LEU 65 -12.368 -4.798 -55.839 501 HG LEU 65 HG LEU 65 -10.352 -3.945 -57.931 502 HD11 LEU 65 HD11 LEU 65 -10.174 -6.250 -58.594 503 HD12 LEU 65 HD12 LEU 65 -11.421 -6.737 -57.447 504 HD13 LEU 65 HD13 LEU 65 -9.850 -6.191 -56.861 505 HD21 LEU 65 HD21 LEU 65 -12.175 -4.966 -59.415 506 HD22 LEU 65 HD22 LEU 65 -12.591 -3.448 -58.621 507 HD23 LEU 65 HD23 LEU 65 -13.201 -4.974 -57.981 508 HA PRO 66 HA PRO 66 -14.233 -1.274 -52.910 509 HB2 PRO 66 HB2 PRO 66 -15.591 -3.926 -52.746 510 HB3 PRO 66 HB1 PRO 66 -16.285 -2.295 -52.668 511 HG2 PRO 66 HG2 PRO 66 -16.536 -3.805 -54.843 512 HG3 PRO 66 HG1 PRO 66 -16.312 -2.050 -54.950 513 HD2 PRO 66 HD2 PRO 66 -14.353 -4.235 -55.509 514 HD3 PRO 66 HD1 PRO 66 -14.506 -2.633 -56.264 515 H LEU 67 HN LEU 67 -13.578 -1.326 -50.809 516 HA LEU 67 HA LEU 67 -12.740 -3.787 -49.532 517 HB2 LEU 67 HB2 LEU 67 -10.801 -2.000 -50.763 518 HB3 LEU 67 HB1 LEU 67 -10.520 -2.185 -49.032 519 HG LEU 67 HG LEU 67 -11.009 -4.552 -50.849 520 HD11 LEU 67 HD11 LEU 67 -8.417 -3.174 -50.110 521 HD12 LEU 67 HD12 LEU 67 -9.030 -3.519 -51.727 522 HD13 LEU 67 HD13 LEU 67 -8.485 -4.837 -50.690 523 HD21 LEU 67 HD21 LEU 67 -11.342 -4.973 -48.474 524 HD22 LEU 67 HD22 LEU 67 -9.808 -4.194 -48.085 525 HD23 LEU 67 HD23 LEU 67 -9.822 -5.720 -48.969 Start of MODEL 18 1 H1 THR 1 HT1 THR 1 -3.107 -5.163 -1.243 2 H2 THR 1 HT2 THR 1 -3.464 -3.571 -0.769 3 H3 THR 1 HT3 THR 1 -3.814 -4.869 0.270 4 HA THR 1 HA THR 1 -1.570 -5.284 0.722 5 HB THR 1 HB THR 1 -1.226 -4.385 -1.904 6 HG1 THR 1 HG1 THR 1 0.023 -5.975 -1.123 7 HG21 THR 1 HG21 THR 1 0.452 -2.639 -1.793 8 HG22 THR 1 HG22 THR 1 0.378 -2.619 -0.033 9 HG23 THR 1 HG23 THR 1 -1.004 -2.064 -0.983 10 HA PRO 2 HA PRO 2 -1.672 -1.842 3.478 11 HB2 PRO 2 HB2 PRO 2 0.878 -1.759 4.434 12 HB3 PRO 2 HB1 PRO 2 -0.267 -3.048 4.852 13 HG2 PRO 2 HG2 PRO 2 1.974 -3.065 2.898 14 HG3 PRO 2 HG1 PRO 2 1.412 -4.345 3.987 15 HD2 PRO 2 HD2 PRO 2 0.811 -4.246 1.295 16 HD3 PRO 2 HD1 PRO 2 -0.187 -5.083 2.504 17 H ILE 3 HN ILE 3 -1.127 0.368 3.749 18 HA ILE 3 HA ILE 3 -0.397 1.760 1.396 19 HB ILE 3 HB ILE 3 -1.853 2.673 3.211 20 HG12 ILE 3 HG12 ILE 3 -0.760 4.966 3.204 21 HG13 ILE 3 HG11 ILE 3 0.620 4.224 2.396 22 HG21 ILE 3 HG21 ILE 3 -0.412 1.836 5.086 23 HG22 ILE 3 HG22 ILE 3 -0.823 3.545 5.233 24 HG23 ILE 3 HG23 ILE 3 0.778 3.068 4.667 25 HD11 ILE 3 HD11 ILE 3 -2.199 3.968 1.331 26 HD12 ILE 3 HD12 ILE 3 -0.686 3.632 0.489 27 HD13 ILE 3 HD13 ILE 3 -1.133 5.295 0.869 28 H GLU 4 HN GLU 4 1.487 2.736 0.769 29 HA GLU 4 HA GLU 4 3.938 1.626 1.581 30 HB2 GLU 4 HB2 GLU 4 4.978 3.331 0.191 31 HB3 GLU 4 HB1 GLU 4 3.540 2.710 -0.621 32 HG2 GLU 4 HG2 GLU 4 2.241 4.639 0.268 33 HG3 GLU 4 HG1 GLU 4 3.721 5.277 0.982 34 H SER 5 HN SER 5 5.581 2.359 2.897 35 HA SER 5 HA SER 5 4.806 3.943 5.151 36 HB2 SER 5 HB2 SER 5 7.033 3.523 5.974 37 HB3 SER 5 HB1 SER 5 6.442 2.042 5.227 38 HG SER 5 HG SER 5 8.421 3.823 4.398 39 H HIS 6 HN HIS 6 6.067 5.834 5.904 40 HA HIS 6 HA HIS 6 6.556 7.669 3.650 41 HB2 HIS 6 HB2 HIS 6 6.343 9.446 5.435 42 HB3 HIS 6 HB1 HIS 6 4.879 8.507 5.141 43 HD1 HIS 6 HD1 HIS 6 3.909 8.645 7.502 44 HD2 HIS 6 HD2 HIS 6 7.805 7.160 7.438 45 HE1 HIS 6 HE1 HIS 6 4.382 7.772 9.832 46 HE2 HIS 6 HE2 HIS 6 6.753 6.863 9.810 47 H GLN 7 HN GLN 7 8.472 5.640 4.814 48 HA GLN 7 HA GLN 7 10.530 7.312 6.026 49 HB2 GLN 7 HB2 GLN 7 10.171 5.014 6.853 50 HB3 GLN 7 HB1 GLN 7 10.581 4.383 5.257 51 HG2 GLN 7 HG2 GLN 7 12.816 5.422 5.421 52 HG3 GLN 7 HG1 GLN 7 12.409 6.036 7.023 53 HE21 GLN 7 HE21 GLN 7 13.307 4.742 8.624 54 HE22 GLN 7 HE22 GLN 7 13.476 3.055 8.535 55 H VAL 8 HN VAL 8 12.237 8.155 4.983 56 HA VAL 8 HA VAL 8 12.768 7.262 2.217 57 HB VAL 8 HB VAL 8 11.537 9.386 2.142 58 HG11 VAL 8 HG11 VAL 8 12.141 10.235 4.363 59 HG12 VAL 8 HG12 VAL 8 12.584 11.414 3.128 60 HG13 VAL 8 HG13 VAL 8 13.824 10.396 3.862 61 HG21 VAL 8 HG21 VAL 8 13.359 8.915 0.498 62 HG22 VAL 8 HG22 VAL 8 14.491 9.762 1.553 63 HG23 VAL 8 HG23 VAL 8 13.157 10.640 0.805 64 H GLU 9 HN GLU 9 14.904 7.182 1.611 65 HA GLU 9 HA GLU 9 16.937 8.147 3.492 66 HB2 GLU 9 HB2 GLU 9 18.072 5.792 2.937 67 HB3 GLU 9 HB1 GLU 9 17.004 6.010 4.322 68 HG2 GLU 9 HG2 GLU 9 16.437 3.992 2.960 69 HG3 GLU 9 HG1 GLU 9 15.110 5.145 3.063 70 H LYS 10 HN LYS 10 16.881 9.647 1.534 71 HA LYS 10 HA LYS 10 17.719 8.900 -1.015 72 HB2 LYS 10 HB2 LYS 10 18.450 11.215 -1.286 73 HB3 LYS 10 HB1 LYS 10 16.915 11.164 -0.418 74 HG2 LYS 10 HG2 LYS 10 18.128 11.363 1.730 75 HG3 LYS 10 HG1 LYS 10 19.656 11.445 0.851 76 HD2 LYS 10 HD2 LYS 10 18.882 13.483 -0.309 77 HD3 LYS 10 HD1 LYS 10 17.357 13.405 0.575 78 HE2 LYS 10 HE2 LYS 10 18.574 13.625 2.708 79 HE3 LYS 10 HE1 LYS 10 20.103 13.694 1.831 80 HZ1 LYS 10 HZ1 LYS 10 17.874 15.598 1.387 81 HZ2 LYS 10 HZ2 LYS 10 19.463 15.711 0.797 82 HZ3 LYS 10 HZ3 LYS 10 19.156 15.895 2.457 83 H ARG 11 HN ARG 11 19.800 9.065 -2.040 84 HA ARG 11 HA ARG 11 22.140 8.972 -0.289 85 HB2 ARG 11 HB2 ARG 11 22.894 6.905 -1.718 86 HB3 ARG 11 HB1 ARG 11 21.865 6.672 -0.310 87 HG2 ARG 11 HG2 ARG 11 20.962 5.360 -2.129 88 HG3 ARG 11 HG1 ARG 11 19.865 6.706 -1.853 89 HD2 ARG 11 HD2 ARG 11 22.032 7.258 -3.781 90 HD3 ARG 11 HD1 ARG 11 20.894 6.018 -4.293 91 HE ARG 11 HE ARG 11 20.377 8.823 -4.138 92 HH11 ARG 11 HH11 ARG 11 18.935 5.681 -3.676 93 HH12 ARG 11 HH12 ARG 11 17.331 6.238 -4.006 94 HH21 ARG 11 HH21 ARG 11 18.271 9.522 -4.565 95 HH22 ARG 11 HH22 ARG 11 16.955 8.397 -4.506 96 H LYS 12 HN LYS 12 24.190 8.898 -1.593 97 HA LYS 12 HA LYS 12 24.215 11.000 -3.465 98 HB2 LYS 12 HB2 LYS 12 26.536 10.587 -3.685 99 HB3 LYS 12 HB1 LYS 12 26.145 10.129 -2.027 100 HG2 LYS 12 HG2 LYS 12 25.849 7.752 -2.866 101 HG3 LYS 12 HG1 LYS 12 26.535 8.289 -4.399 102 HD2 LYS 12 HD2 LYS 12 28.419 7.494 -3.246 103 HD3 LYS 12 HD1 LYS 12 28.474 9.229 -2.931 104 HE2 LYS 12 HE2 LYS 12 28.823 8.078 -0.829 105 HE3 LYS 12 HE1 LYS 12 27.219 8.809 -0.791 106 HZ1 LYS 12 HZ1 LYS 12 27.388 6.422 -0.039 107 HZ2 LYS 12 HZ2 LYS 12 27.664 6.017 -1.666 108 HZ3 LYS 12 HZ3 LYS 12 26.204 6.754 -1.207 109 H CYS 13 HN CYS 13 24.630 11.000 -5.703 110 HA CYS 13 HA CYS 13 23.236 8.948 -7.147 111 HB2 CYS 13 HB2 CYS 13 24.526 11.544 -7.802 112 HB3 CYS 13 HB1 CYS 13 24.359 10.383 -9.119 113 H ASN 14 HN ASN 14 24.797 7.254 -6.238 114 HA ASN 14 HA ASN 14 27.169 7.015 -7.988 115 HB2 ASN 14 HB2 ASN 14 28.067 5.485 -6.266 116 HB3 ASN 14 HB1 ASN 14 27.758 7.097 -5.624 117 HD21 ASN 14 HD21 ASN 14 27.734 5.677 -3.518 118 HD22 ASN 14 HD22 ASN 14 26.226 5.043 -3.063 119 H THR 15 HN THR 15 24.287 6.236 -8.495 120 HA THR 15 HA THR 15 24.849 3.419 -9.175 121 HB THR 15 HB THR 15 23.295 3.435 -7.285 122 HG1 THR 15 HG1 THR 15 21.542 2.386 -8.400 123 HG21 THR 15 HG21 THR 15 21.018 4.466 -7.653 124 HG22 THR 15 HG22 THR 15 21.683 5.269 -9.074 125 HG23 THR 15 HG23 THR 15 22.328 5.632 -7.475 126 H ALA 16 HN ALA 16 23.789 2.650 -11.076 127 HA ALA 16 HA ALA 16 23.796 4.448 -13.228 128 HB1 ALA 16 HB1 ALA 16 22.201 1.918 -13.351 129 HB2 ALA 16 HB2 ALA 16 23.949 1.826 -13.140 130 HB3 ALA 16 HB3 ALA 16 23.273 2.626 -14.559 131 H THR 17 HN THR 17 21.320 3.739 -10.926 132 HA THR 17 HA THR 17 19.029 4.308 -12.472 133 HB THR 17 HB THR 17 19.506 4.710 -9.510 134 HG1 THR 17 HG1 THR 17 18.223 2.599 -10.889 135 HG21 THR 17 HG21 THR 17 16.976 4.447 -9.461 136 HG22 THR 17 HG22 THR 17 17.004 4.689 -11.208 137 HG23 THR 17 HG23 THR 17 17.567 5.967 -10.131 138 H CYS 18 HN CYS 18 21.176 6.396 -10.570 139 HA CYS 18 HA CYS 18 19.695 8.774 -10.792 140 HB2 CYS 18 HB2 CYS 18 21.625 8.458 -9.260 141 HB3 CYS 18 HB1 CYS 18 22.705 8.485 -10.655 142 H ALA 19 HN ALA 19 22.257 7.436 -12.864 143 HA ALA 19 HA ALA 19 22.378 9.588 -14.683 144 HB1 ALA 19 HB1 ALA 19 23.907 7.459 -14.374 145 HB2 ALA 19 HB2 ALA 19 23.769 8.241 -15.949 146 HB3 ALA 19 HB3 ALA 19 22.842 6.781 -15.605 147 H THR 20 HN THR 20 20.402 6.649 -14.629 148 HA THR 20 HA THR 20 19.251 6.631 -17.104 149 HB THR 20 HB THR 20 17.807 6.186 -14.484 150 HG1 THR 20 HG1 THR 20 19.787 4.974 -14.941 151 HG21 THR 20 HG21 THR 20 17.223 5.340 -17.331 152 HG22 THR 20 HG22 THR 20 16.220 6.354 -16.294 153 HG23 THR 20 HG23 THR 20 16.426 4.643 -15.921 154 H GLN 21 HN GLN 21 18.294 8.709 -14.373 155 HA GLN 21 HA GLN 21 16.192 9.954 -15.930 156 HB2 GLN 21 HB2 GLN 21 15.501 10.901 -13.971 157 HB3 GLN 21 HB1 GLN 21 16.466 9.595 -13.285 158 HG2 GLN 21 HG2 GLN 21 18.441 11.224 -13.337 159 HG3 GLN 21 HG1 GLN 21 17.257 12.489 -13.661 160 HE21 GLN 21 HE21 GLN 21 18.981 11.873 -11.179 161 HE22 GLN 21 HE22 GLN 21 17.858 11.843 -9.906 162 H ARG 22 HN ARG 22 19.544 10.565 -15.202 163 HA ARG 22 HA ARG 22 19.573 13.342 -15.792 164 HB2 ARG 22 HB2 ARG 22 21.408 12.342 -14.569 165 HB3 ARG 22 HB1 ARG 22 21.764 11.255 -15.909 166 HG2 ARG 22 HG2 ARG 22 23.321 13.178 -15.870 167 HG3 ARG 22 HG1 ARG 22 22.341 13.182 -17.335 168 HD2 ARG 22 HD2 ARG 22 22.523 15.434 -16.243 169 HD3 ARG 22 HD1 ARG 22 20.865 14.867 -16.415 170 HE ARG 22 HE ARG 22 20.716 14.745 -14.099 171 HH11 ARG 22 HH11 ARG 22 24.046 15.063 -15.085 172 HH12 ARG 22 HH12 ARG 22 24.624 15.303 -13.473 173 HH21 ARG 22 HH21 ARG 22 21.499 15.062 -12.004 174 HH22 ARG 22 HH22 ARG 22 23.194 15.303 -11.738 175 H LEU 23 HN LEU 23 20.371 10.489 -17.767 176 HA LEU 23 HA LEU 23 20.933 11.942 -20.132 177 HB2 LEU 23 HB2 LEU 23 20.758 9.800 -21.292 178 HB3 LEU 23 HB1 LEU 23 21.659 9.606 -19.789 179 HG LEU 23 HG LEU 23 19.093 9.157 -18.943 180 HD11 LEU 23 HD11 LEU 23 18.411 9.264 -21.401 181 HD12 LEU 23 HD12 LEU 23 17.943 7.795 -20.545 182 HD13 LEU 23 HD13 LEU 23 19.335 7.780 -21.627 183 HD21 LEU 23 HD21 LEU 23 19.759 6.701 -19.143 184 HD22 LEU 23 HD22 LEU 23 20.923 7.738 -18.319 185 HD23 LEU 23 HD23 LEU 23 21.202 7.255 -19.992 186 H ALA 24 HN ALA 24 17.952 10.706 -18.744 187 HA ALA 24 HA ALA 24 16.285 10.880 -20.987 188 HB1 ALA 24 HB1 ALA 24 15.813 11.105 -18.028 189 HB2 ALA 24 HB2 ALA 24 15.319 9.826 -19.138 190 HB3 ALA 24 HB3 ALA 24 14.494 11.385 -19.164 191 H ASN 25 HN ASN 25 17.144 13.340 -18.565 192 HA ASN 25 HA ASN 25 15.488 15.390 -19.591 193 HB2 ASN 25 HB2 ASN 25 16.513 15.441 -17.339 194 HB3 ASN 25 HB1 ASN 25 18.098 15.653 -18.080 195 HD21 ASN 25 HD21 ASN 25 18.719 17.810 -18.065 196 HD22 ASN 25 HD22 ASN 25 17.667 19.131 -18.241 197 H PHE 26 HN PHE 26 18.838 14.457 -20.250 198 HA PHE 26 HA PHE 26 19.527 16.631 -21.903 199 HB2 PHE 26 HB2 PHE 26 21.180 15.057 -20.965 200 HB3 PHE 26 HB1 PHE 26 20.554 13.784 -22.013 201 HD1 PHE 26 HD1 PHE 26 22.146 17.154 -22.023 202 HD2 PHE 26 HD2 PHE 26 21.223 13.622 -24.286 203 HE1 PHE 26 HE1 PHE 26 23.598 17.956 -23.867 204 HE2 PHE 26 HE2 PHE 26 22.676 14.423 -26.130 205 HZ PHE 26 HZ PHE 26 23.863 16.590 -25.920 206 H LEU 27 HN LEU 27 17.829 13.621 -22.564 207 HA LEU 27 HA LEU 27 17.974 13.616 -25.360 208 HB2 LEU 27 HB2 LEU 27 17.149 11.703 -24.100 209 HB3 LEU 27 HB1 LEU 27 15.793 12.638 -23.494 210 HG LEU 27 HG LEU 27 15.467 10.986 -25.510 211 HD11 LEU 27 HD11 LEU 27 14.290 13.722 -25.951 212 HD12 LEU 27 HD12 LEU 27 13.876 12.796 -24.508 213 HD13 LEU 27 HD13 LEU 27 13.530 12.140 -26.106 214 HD21 LEU 27 HD21 LEU 27 17.382 12.191 -26.773 215 HD22 LEU 27 HD22 LEU 27 16.186 13.443 -27.105 216 HD23 LEU 27 HD23 LEU 27 15.918 11.797 -27.672 217 H VAL 28 HN VAL 28 15.227 14.731 -23.357 218 HA VAL 28 HA VAL 28 13.890 16.027 -25.471 219 HB VAL 28 HB VAL 28 12.526 17.065 -23.710 220 HG11 VAL 28 HG11 VAL 28 12.304 14.615 -24.383 221 HG12 VAL 28 HG12 VAL 28 11.648 15.032 -22.800 222 HG13 VAL 28 HG13 VAL 28 13.211 14.224 -22.922 223 HG21 VAL 28 HG21 VAL 28 14.566 15.847 -21.819 224 HG22 VAL 28 HG22 VAL 28 13.092 16.694 -21.348 225 HG23 VAL 28 HG23 VAL 28 14.394 17.571 -22.151 226 H HIS 29 HN HIS 29 16.610 16.968 -23.597 227 HA HIS 29 HA HIS 29 16.239 19.826 -24.008 228 HB2 HIS 29 HB2 HIS 29 17.276 19.034 -21.933 229 HB3 HIS 29 HB1 HIS 29 18.568 18.272 -22.860 230 HD1 HIS 29 HD1 HIS 29 17.056 21.743 -22.381 231 HD2 HIS 29 HD2 HIS 29 20.698 19.965 -23.358 232 HE1 HIS 29 HE1 HIS 29 18.747 23.621 -22.550 233 HE2 HIS 29 HE2 HIS 29 20.973 22.553 -23.144 234 H SER 30 HN SER 30 17.952 17.154 -25.472 235 HA SER 30 HA SER 30 19.522 18.940 -27.196 236 HB2 SER 30 HB2 SER 30 20.530 16.920 -26.062 237 HB3 SER 30 HB1 SER 30 19.521 15.923 -27.106 238 HG SER 30 HG SER 30 20.572 16.726 -28.872 239 H SER 31 HN SER 31 16.471 18.352 -27.356 240 HA SER 31 HA SER 31 15.914 16.827 -29.620 241 HB2 SER 31 HB2 SER 31 14.139 17.670 -28.188 242 HB3 SER 31 HB1 SER 31 14.535 19.331 -28.620 243 HG SER 31 HG SER 31 12.913 18.774 -29.971 244 H ASN 32 HN ASN 32 16.352 20.356 -29.445 245 HA ASN 32 HA ASN 32 16.244 20.987 -32.128 246 HB2 ASN 32 HB2 ASN 32 17.850 22.863 -31.551 247 HB3 ASN 32 HB1 ASN 32 16.407 22.764 -30.544 248 HD21 ASN 32 HD21 ASN 32 19.752 23.087 -30.374 249 HD22 ASN 32 HD22 ASN 32 19.982 22.548 -28.781 250 H ASN 33 HN ASN 33 19.130 20.056 -30.278 251 HA ASN 33 HA ASN 33 20.984 20.117 -32.392 252 HB2 ASN 33 HB2 ASN 33 20.888 18.459 -29.870 253 HB3 ASN 33 HB1 ASN 33 22.261 18.464 -30.975 254 HD21 ASN 33 HD21 ASN 33 22.874 20.953 -31.586 255 HD22 ASN 33 HD22 ASN 33 23.010 21.970 -30.234 256 H PHE 34 HN PHE 34 18.911 17.460 -31.237 257 HA PHE 34 HA PHE 34 19.879 15.409 -32.831 258 HB2 PHE 34 HB2 PHE 34 18.183 15.117 -31.063 259 HB3 PHE 34 HB1 PHE 34 16.995 15.927 -32.084 260 HD1 PHE 34 HD1 PHE 34 19.460 13.102 -32.204 261 HD2 PHE 34 HD2 PHE 34 15.670 14.641 -33.515 262 HE1 PHE 34 HE1 PHE 34 18.987 10.957 -33.356 263 HE2 PHE 34 HE2 PHE 34 15.197 12.497 -34.667 264 HZ PHE 34 HZ PHE 34 16.856 10.654 -34.587 265 H GLY 35 HN GLY 35 17.279 17.731 -33.601 266 HA2 GLY 35 HA2 GLY 35 16.786 16.746 -36.202 267 HA3 GLY 35 HA1 GLY 35 16.334 18.342 -35.619 268 H ALA 36 HN ALA 36 18.932 19.263 -34.967 269 HA ALA 36 HA ALA 36 19.769 20.356 -37.424 270 HB1 ALA 36 HB1 ALA 36 21.728 21.171 -36.165 271 HB2 ALA 36 HB2 ALA 36 21.296 20.113 -34.821 272 HB3 ALA 36 HB3 ALA 36 20.228 21.441 -35.276 273 H ILE 37 HN ILE 37 21.070 17.664 -35.508 274 HA ILE 37 HA ILE 37 23.279 17.155 -37.244 275 HB ILE 37 HB ILE 37 21.898 15.470 -35.149 276 HG12 ILE 37 HG12 ILE 37 24.660 16.718 -35.169 277 HG13 ILE 37 HG11 ILE 37 23.246 17.539 -34.507 278 HG21 ILE 37 HG21 ILE 37 24.001 14.048 -35.363 279 HG22 ILE 37 HG22 ILE 37 24.308 14.886 -36.885 280 HG23 ILE 37 HG23 ILE 37 22.853 13.907 -36.695 281 HD11 ILE 37 HD11 ILE 37 24.472 14.934 -33.575 282 HD12 ILE 37 HD12 ILE 37 22.875 15.477 -33.060 283 HD13 ILE 37 HD13 ILE 37 24.303 16.433 -32.662 284 H LEU 38 HN LEU 38 20.037 15.708 -36.949 285 HA LEU 38 HA LEU 38 20.386 13.720 -38.905 286 HB2 LEU 38 HB2 LEU 38 18.485 13.733 -37.347 287 HB3 LEU 38 HB1 LEU 38 17.859 15.192 -38.113 288 HG LEU 38 HG LEU 38 17.678 13.950 -40.266 289 HD11 LEU 38 HD11 LEU 38 19.358 12.257 -40.014 290 HD12 LEU 38 HD12 LEU 38 17.809 11.415 -40.062 291 HD13 LEU 38 HD13 LEU 38 18.628 11.667 -38.520 292 HD21 LEU 38 HD21 LEU 38 15.685 14.073 -38.933 293 HD22 LEU 38 HD22 LEU 38 16.271 12.827 -37.831 294 HD23 LEU 38 HD23 LEU 38 15.816 12.402 -39.481 295 H SER 39 HN SER 39 19.208 17.049 -39.135 296 HA SER 39 HA SER 39 18.452 17.123 -41.802 297 HB2 SER 39 HB2 SER 39 19.752 19.275 -40.122 298 HB3 SER 39 HB1 SER 39 19.013 19.560 -41.695 299 HG SER 39 HG SER 39 17.072 18.650 -40.788 300 H SER 40 HN SER 40 21.665 17.292 -40.375 301 HA SER 40 HA SER 40 22.905 17.776 -42.977 302 HB2 SER 40 HB2 SER 40 24.058 17.483 -40.197 303 HB3 SER 40 HB1 SER 40 25.026 17.759 -41.643 304 HG SER 40 HG SER 40 23.427 19.478 -40.210 305 H THR 41 HN THR 41 21.453 15.313 -42.645 306 HA THR 41 HA THR 41 23.035 13.098 -42.011 307 HB THR 41 HB THR 41 20.604 12.983 -42.427 308 HG1 THR 41 HG1 THR 41 22.077 11.386 -44.245 309 HG21 THR 41 HG21 THR 41 19.773 12.995 -44.738 310 HG22 THR 41 HG22 THR 41 21.400 13.332 -45.330 311 HG23 THR 41 HG23 THR 41 20.551 14.531 -44.356 312 H ASN 42 HN ASN 42 23.305 15.291 -44.641 313 HA ASN 42 HA ASN 42 24.326 13.720 -46.693 314 HB2 ASN 42 HB2 ASN 42 25.392 15.720 -47.518 315 HB3 ASN 42 HB1 ASN 42 23.837 16.171 -46.822 316 HD21 ASN 42 HD21 ASN 42 26.229 17.915 -47.102 317 HD22 ASN 42 HD22 ASN 42 26.643 18.396 -45.528 318 H VAL 43 HN VAL 43 25.723 14.493 -43.625 319 HA VAL 43 HA VAL 43 28.449 14.309 -44.100 320 HB VAL 43 HB VAL 43 27.292 14.796 -41.898 321 HG11 VAL 43 HG11 VAL 43 27.292 11.781 -41.627 322 HG12 VAL 43 HG12 VAL 43 25.853 12.698 -42.070 323 HG13 VAL 43 HG13 VAL 43 26.622 12.966 -40.506 324 HG21 VAL 43 HG21 VAL 43 29.520 12.735 -41.974 325 HG22 VAL 43 HG22 VAL 43 29.101 13.706 -40.563 326 HG23 VAL 43 HG23 VAL 43 29.715 14.487 -42.019 327 H GLY 44 HN GLY 44 26.020 11.841 -44.272 328 HA2 GLY 44 HA2 GLY 44 26.843 9.934 -45.738 329 HA3 GLY 44 HA1 GLY 44 28.107 9.761 -44.525 330 H SER 45 HN SER 45 24.867 10.663 -43.608 331 HA SER 45 HA SER 45 24.440 7.946 -42.521 332 HB2 SER 45 HB2 SER 45 23.296 9.011 -40.608 333 HB3 SER 45 HB1 SER 45 24.983 9.508 -40.717 334 HG SER 45 HG SER 45 22.736 10.995 -40.859 335 H ASN 46 HN ASN 46 23.541 9.166 -45.064 336 HA ASN 46 HA ASN 46 20.661 9.508 -44.654 337 HB2 ASN 46 HB2 ASN 46 20.601 10.120 -47.013 338 HB3 ASN 46 HB1 ASN 46 21.865 11.032 -46.191 339 HD21 ASN 46 HD21 ASN 46 21.323 9.392 -49.013 340 HD22 ASN 46 HD22 ASN 46 22.904 8.876 -49.351 341 H THR 47 HN THR 47 22.206 6.889 -44.365 342 HA THR 47 HA THR 47 21.019 5.289 -46.510 343 HB THR 47 HB THR 47 22.578 4.165 -44.202 344 HG1 THR 47 HG1 THR 47 24.432 4.564 -45.589 345 HG21 THR 47 HG21 THR 47 21.610 2.569 -45.735 346 HG22 THR 47 HG22 THR 47 23.343 2.640 -46.055 347 HG23 THR 47 HG23 THR 47 22.214 3.469 -47.126 348 H TYR 48 HN TYR 48 19.374 6.646 -44.459 349 HA TYR 48 HA TYR 48 18.090 4.250 -43.290 350 HB2 TYR 48 HB2 TYR 48 17.442 5.536 -41.378 351 HB3 TYR 48 HB1 TYR 48 19.165 5.825 -41.624 352 HD1 TYR 48 HD1 TYR 48 15.929 7.340 -41.328 353 HD2 TYR 48 HD2 TYR 48 19.838 7.897 -43.019 354 HE1 TYR 48 HE1 TYR 48 15.492 9.771 -41.537 355 HE2 TYR 48 HE2 TYR 48 19.401 10.329 -43.228 356 HH TYR 48 HH TYR 48 16.497 11.682 -43.182 357 H GLY 49 HN GLY 49 17.689 5.715 -45.892 358 HA2 GLY 49 HA2 GLY 49 15.452 7.319 -45.987 359 HA3 GLY 49 HA1 GLY 49 15.867 6.152 -47.239 360 H LYS 50 HN LYS 50 13.474 7.065 -45.193 361 HA LYS 50 HA LYS 50 12.474 4.553 -44.272 362 HB2 LYS 50 HB2 LYS 50 11.198 7.269 -44.619 363 HB3 LYS 50 HB1 LYS 50 10.339 5.881 -43.950 364 HG2 LYS 50 HG2 LYS 50 12.166 5.655 -42.240 365 HG3 LYS 50 HG1 LYS 50 12.855 7.160 -42.847 366 HD2 LYS 50 HD2 LYS 50 9.987 6.957 -41.910 367 HD3 LYS 50 HD1 LYS 50 11.310 7.377 -40.822 368 HE2 LYS 50 HE2 LYS 50 10.632 8.864 -43.376 369 HE3 LYS 50 HE1 LYS 50 10.193 9.394 -41.753 370 HZ1 LYS 50 HZ1 LYS 50 12.880 9.167 -42.952 371 HZ2 LYS 50 HZ2 LYS 50 12.673 9.183 -41.266 372 HZ3 LYS 50 HZ3 LYS 50 12.164 10.508 -42.200 373 H ARG 51 HN ARG 51 12.261 6.310 -47.260 374 HA ARG 51 HA ARG 51 9.914 5.092 -48.299 375 HB2 ARG 51 HB2 ARG 51 10.573 6.005 -50.412 376 HB3 ARG 51 HB1 ARG 51 11.018 7.183 -49.177 377 HG2 ARG 51 HG2 ARG 51 13.336 6.208 -49.174 378 HG3 ARG 51 HG1 ARG 51 12.860 5.197 -50.539 379 HD2 ARG 51 HD2 ARG 51 12.274 7.247 -51.817 380 HD3 ARG 51 HD1 ARG 51 12.841 8.227 -50.469 381 HE ARG 51 HE ARG 51 14.480 6.821 -52.397 382 HH11 ARG 51 HH11 ARG 51 14.309 8.198 -49.196 383 HH12 ARG 51 HH12 ARG 51 16.019 8.421 -49.074 384 HH21 ARG 51 HH21 ARG 51 16.709 7.127 -52.209 385 HH22 ARG 51 HH22 ARG 51 17.371 7.819 -50.766 386 H ASN 52 HN ASN 52 13.117 3.925 -47.832 387 HA ASN 52 HA ASN 52 13.082 1.962 -49.933 388 HB2 ASN 52 HB2 ASN 52 15.064 3.036 -48.447 389 HB3 ASN 52 HB1 ASN 52 14.807 1.532 -47.564 390 HD21 ASN 52 HD21 ASN 52 13.964 -0.010 -49.944 391 HD22 ASN 52 HD22 ASN 52 15.361 -0.242 -50.880 392 H ALA 53 HN ALA 53 11.939 2.146 -46.659 393 HA ALA 53 HA ALA 53 11.839 -0.580 -45.992 394 HB1 ALA 53 HB1 ALA 53 9.834 0.215 -44.554 395 HB2 ALA 53 HB2 ALA 53 10.247 1.825 -45.145 396 HB3 ALA 53 HB3 ALA 53 11.427 0.895 -44.221 397 H VAL 54 HN VAL 54 9.554 1.464 -47.773 398 HA VAL 54 HA VAL 54 7.602 -0.647 -48.016 399 HB VAL 54 HB VAL 54 7.294 1.977 -48.098 400 HG11 VAL 54 HG11 VAL 54 7.467 1.323 -51.047 401 HG12 VAL 54 HG12 VAL 54 8.792 2.084 -50.167 402 HG13 VAL 54 HG13 VAL 54 7.237 2.903 -50.298 403 HG21 VAL 54 HG21 VAL 54 5.150 1.614 -49.135 404 HG22 VAL 54 HG22 VAL 54 5.550 0.143 -48.248 405 HG23 VAL 54 HG23 VAL 54 5.746 0.197 -49.999 406 H GLU 55 HN GLU 55 10.290 0.563 -49.906 407 HA GLU 55 HA GLU 55 9.629 -0.605 -52.390 408 HB2 GLU 55 HB2 GLU 55 11.442 1.103 -51.952 409 HB3 GLU 55 HB1 GLU 55 12.419 -0.210 -51.296 410 HG2 GLU 55 HG2 GLU 55 11.162 -0.484 -54.014 411 HG3 GLU 55 HG1 GLU 55 12.664 0.418 -53.826 412 H VAL 56 HN VAL 56 11.668 -1.822 -49.725 413 HA VAL 56 HA VAL 56 12.202 -4.323 -50.962 414 HB VAL 56 HB VAL 56 13.621 -3.444 -49.168 415 HG11 VAL 56 HG11 VAL 56 11.331 -4.061 -47.286 416 HG12 VAL 56 HG12 VAL 56 11.678 -2.437 -47.879 417 HG13 VAL 56 HG13 VAL 56 12.867 -3.288 -46.894 418 HG21 VAL 56 HG21 VAL 56 13.936 -5.514 -47.994 419 HG22 VAL 56 HG22 VAL 56 13.339 -5.938 -49.599 420 HG23 VAL 56 HG23 VAL 56 12.246 -5.968 -48.215 421 H LEU 57 HN LEU 57 9.736 -3.250 -48.649 422 HA LEU 57 HA LEU 57 8.584 -5.681 -47.974 423 HB2 LEU 57 HB2 LEU 57 7.864 -2.905 -47.831 424 HB3 LEU 57 HB1 LEU 57 6.464 -3.850 -48.340 425 HG LEU 57 HG LEU 57 7.175 -5.477 -46.425 426 HD11 LEU 57 HD11 LEU 57 9.342 -4.394 -45.973 427 HD12 LEU 57 HD12 LEU 57 8.300 -4.314 -44.553 428 HD13 LEU 57 HD13 LEU 57 8.512 -2.890 -45.571 429 HD21 LEU 57 HD21 LEU 57 5.102 -4.257 -46.314 430 HD22 LEU 57 HD22 LEU 57 5.945 -2.741 -45.993 431 HD23 LEU 57 HD23 LEU 57 5.921 -4.012 -44.771 432 H LYS 58 HN LYS 58 7.695 -3.559 -50.711 433 HA LYS 58 HA LYS 58 5.740 -5.291 -51.766 434 HB2 LYS 58 HB2 LYS 58 7.390 -3.096 -53.022 435 HB3 LYS 58 HB1 LYS 58 6.136 -3.969 -53.904 436 HG2 LYS 58 HG2 LYS 58 5.564 -2.686 -51.233 437 HG3 LYS 58 HG1 LYS 58 5.450 -1.768 -52.734 438 HD2 LYS 58 HD2 LYS 58 3.885 -3.514 -53.620 439 HD3 LYS 58 HD1 LYS 58 3.917 -4.288 -52.036 440 HE2 LYS 58 HE2 LYS 58 3.106 -1.404 -52.488 441 HE3 LYS 58 HE1 LYS 58 1.963 -2.740 -52.359 442 HZ1 LYS 58 HZ1 LYS 58 3.973 -2.073 -50.282 443 HZ2 LYS 58 HZ2 LYS 58 2.707 -3.201 -50.161 444 HZ3 LYS 58 HZ3 LYS 58 2.363 -1.539 -50.245 445 H ARG 59 HN ARG 59 9.189 -5.350 -51.908 446 HA ARG 59 HA ARG 59 9.525 -6.834 -54.305 447 HB2 ARG 59 HB2 ARG 59 11.282 -5.548 -52.900 448 HB3 ARG 59 HB1 ARG 59 11.384 -7.030 -51.950 449 HG2 ARG 59 HG2 ARG 59 11.444 -7.507 -54.845 450 HG3 ARG 59 HG1 ARG 59 12.797 -6.532 -54.271 451 HD2 ARG 59 HD2 ARG 59 13.126 -8.273 -52.448 452 HD3 ARG 59 HD1 ARG 59 11.966 -9.279 -53.312 453 HE ARG 59 HE ARG 59 13.983 -8.413 -55.103 454 HH11 ARG 59 HH11 ARG 59 13.475 -10.543 -52.390 455 HH12 ARG 59 HH12 ARG 59 14.716 -11.646 -52.874 456 HH21 ARG 59 HH21 ARG 59 15.599 -9.871 -55.709 457 HH22 ARG 59 HH22 ARG 59 15.911 -11.271 -54.738 458 H GLU 60 HN GLU 60 8.908 -7.743 -50.959 459 HA GLU 60 HA GLU 60 8.677 -10.561 -51.837 460 HB2 GLU 60 HB2 GLU 60 9.635 -9.499 -49.169 461 HB3 GLU 60 HB1 GLU 60 9.346 -11.200 -49.534 462 HG2 GLU 60 HG2 GLU 60 11.154 -9.581 -51.306 463 HG3 GLU 60 HG1 GLU 60 11.768 -10.234 -49.788 464 HA PRO 61 HA PRO 61 4.604 -9.035 -50.173 465 HB2 PRO 61 HB2 PRO 61 3.099 -10.224 -52.134 466 HB3 PRO 61 HB1 PRO 61 3.771 -8.588 -52.265 467 HG2 PRO 61 HG2 PRO 61 4.754 -11.137 -53.438 468 HG3 PRO 61 HG1 PRO 61 4.728 -9.507 -54.132 469 HD2 PRO 61 HD2 PRO 61 6.990 -10.641 -53.087 470 HD3 PRO 61 HD1 PRO 61 6.700 -8.888 -53.095 471 H LEU 62 HN LEU 62 5.939 -12.113 -51.042 472 HA LEU 62 HA LEU 62 3.896 -13.843 -50.187 473 HB2 LEU 62 HB2 LEU 62 5.973 -14.485 -51.460 474 HB3 LEU 62 HB1 LEU 62 6.868 -14.344 -49.947 475 HG LEU 62 HG LEU 62 4.397 -15.954 -49.777 476 HD11 LEU 62 HD11 LEU 62 5.284 -16.565 -52.038 477 HD12 LEU 62 HD12 LEU 62 5.345 -17.903 -50.890 478 HD13 LEU 62 HD13 LEU 62 6.813 -17.007 -51.278 479 HD21 LEU 62 HD21 LEU 62 6.046 -17.453 -48.561 480 HD22 LEU 62 HD22 LEU 62 5.887 -15.831 -47.886 481 HD23 LEU 62 HD23 LEU 62 7.281 -16.237 -48.887 482 H ASN 63 HN ASN 63 6.589 -12.351 -48.429 483 HA ASN 63 HA ASN 63 6.113 -13.641 -45.950 484 HB2 ASN 63 HB2 ASN 63 7.870 -12.418 -45.192 485 HB3 ASN 63 HB1 ASN 63 8.102 -12.071 -46.905 486 HD21 ASN 63 HD21 ASN 63 6.919 -10.723 -43.850 487 HD22 ASN 63 HD22 ASN 63 6.796 -9.124 -44.405 488 H TYR 64 HN TYR 64 4.809 -10.737 -47.437 489 HA TYR 64 HA TYR 64 3.551 -9.760 -45.047 490 HB2 TYR 64 HB2 TYR 64 4.142 -8.258 -46.910 491 HB3 TYR 64 HB1 TYR 64 2.990 -9.098 -47.948 492 HD1 TYR 64 HD1 TYR 64 3.274 -7.141 -44.784 493 HD2 TYR 64 HD2 TYR 64 0.686 -8.556 -47.906 494 HE1 TYR 64 HE1 TYR 64 1.442 -5.715 -43.911 495 HE2 TYR 64 HE2 TYR 64 -1.146 -7.131 -47.034 496 HH TYR 64 HH TYR 64 -1.182 -4.865 -45.588 497 H LEU 65 HN LEU 65 2.480 -11.648 -47.857 498 HA LEU 65 HA LEU 65 -0.257 -11.722 -47.175 499 HB2 LEU 65 HB2 LEU 65 1.465 -13.596 -48.808 500 HB3 LEU 65 HB1 LEU 65 -0.285 -13.759 -48.671 501 HG LEU 65 HG LEU 65 1.058 -11.201 -49.573 502 HD11 LEU 65 HD11 LEU 65 0.641 -11.866 -51.852 503 HD12 LEU 65 HD12 LEU 65 -0.203 -13.324 -51.330 504 HD13 LEU 65 HD13 LEU 65 1.538 -13.176 -51.085 505 HD21 LEU 65 HD21 LEU 65 -1.282 -10.895 -50.573 506 HD22 LEU 65 HD22 LEU 65 -1.180 -10.810 -48.815 507 HD23 LEU 65 HD23 LEU 65 -1.774 -12.277 -49.593 508 HA PRO 66 HA PRO 66 -0.673 -14.565 -43.841 509 HB2 PRO 66 HB2 PRO 66 -2.417 -16.274 -45.551 510 HB3 PRO 66 HB1 PRO 66 -2.750 -15.550 -43.966 511 HG2 PRO 66 HG2 PRO 66 -3.827 -14.575 -46.197 512 HG3 PRO 66 HG1 PRO 66 -3.326 -13.519 -44.864 513 HD2 PRO 66 HD2 PRO 66 -2.005 -13.973 -47.505 514 HD3 PRO 66 HD1 PRO 66 -2.060 -12.505 -46.505 515 H LEU 67 HN LEU 67 0.381 -16.356 -43.068 516 HA LEU 67 HA LEU 67 1.034 -18.619 -44.710 517 HB2 LEU 67 HB2 LEU 67 2.796 -16.445 -44.886 518 HB3 LEU 67 HB1 LEU 67 3.578 -17.587 -43.792 519 HG LEU 67 HG LEU 67 2.412 -18.351 -46.483 520 HD11 LEU 67 HD11 LEU 67 5.232 -17.641 -45.642 521 HD12 LEU 67 HD12 LEU 67 4.275 -16.912 -46.932 522 HD13 LEU 67 HD13 LEU 67 4.874 -18.562 -47.103 523 HD21 LEU 67 HD21 LEU 67 2.538 -20.177 -44.830 524 HD22 LEU 67 HD22 LEU 67 4.236 -19.801 -44.536 525 HD23 LEU 67 HD23 LEU 67 3.729 -20.417 -46.109 Start of MODEL 19 1 H1 THR 1 HT1 THR 1 -4.300 -4.203 -0.317 2 H2 THR 1 HT2 THR 1 -3.549 -2.999 -1.252 3 H3 THR 1 HT3 THR 1 -4.014 -2.669 0.348 4 HA THR 1 HA THR 1 -2.445 -4.693 0.853 5 HB THR 1 HB THR 1 -2.093 -4.321 -1.900 6 HG1 THR 1 HG1 THR 1 -1.230 -6.165 -1.493 7 HG21 THR 1 HG21 THR 1 0.201 -3.581 -2.169 8 HG22 THR 1 HG22 THR 1 0.377 -3.357 -0.431 9 HG23 THR 1 HG23 THR 1 -0.704 -2.308 -1.352 10 HA PRO 2 HA PRO 2 -0.615 -1.350 3.068 11 HB2 PRO 2 HB2 PRO 2 1.831 -2.344 3.756 12 HB3 PRO 2 HB1 PRO 2 0.316 -2.918 4.478 13 HG2 PRO 2 HG2 PRO 2 1.984 -4.148 2.345 14 HG3 PRO 2 HG1 PRO 2 1.099 -4.916 3.674 15 HD2 PRO 2 HD2 PRO 2 0.179 -4.835 1.081 16 HD3 PRO 2 HD1 PRO 2 -0.884 -4.968 2.499 17 H ILE 3 HN ILE 3 1.035 0.311 3.053 18 HA ILE 3 HA ILE 3 1.728 1.318 0.582 19 HB ILE 3 HB ILE 3 1.809 2.590 2.716 20 HG12 ILE 3 HG12 ILE 3 3.943 3.831 2.176 21 HG13 ILE 3 HG11 ILE 3 4.314 2.565 1.006 22 HG21 ILE 3 HG21 ILE 3 3.028 0.720 3.942 23 HG22 ILE 3 HG22 ILE 3 3.646 2.345 4.234 24 HG23 ILE 3 HG23 ILE 3 4.497 1.263 3.131 25 HD11 ILE 3 HD11 ILE 3 1.709 4.100 0.951 26 HD12 ILE 3 HD12 ILE 3 2.401 3.092 -0.320 27 HD13 ILE 3 HD13 ILE 3 3.143 4.641 0.078 28 H GLU 4 HN GLU 4 3.263 0.925 -0.892 29 HA GLU 4 HA GLU 4 5.018 -1.338 -0.533 30 HB2 GLU 4 HB2 GLU 4 5.658 -0.942 -2.852 31 HB3 GLU 4 HB1 GLU 4 3.903 -0.860 -2.697 32 HG2 GLU 4 HG2 GLU 4 4.075 1.625 -2.519 33 HG3 GLU 4 HG1 GLU 4 5.809 1.494 -2.808 34 H SER 5 HN SER 5 7.358 -1.049 -1.372 35 HA SER 5 HA SER 5 8.765 0.550 0.473 36 HB2 SER 5 HB2 SER 5 9.705 -0.719 -2.108 37 HB3 SER 5 HB1 SER 5 10.765 -0.037 -0.878 38 HG SER 5 HG SER 5 10.535 -1.818 0.196 39 H HIS 6 HN HIS 6 10.040 2.416 0.162 40 HA HIS 6 HA HIS 6 8.847 4.477 -1.336 41 HB2 HIS 6 HB2 HIS 6 10.716 5.838 -0.661 42 HB3 HIS 6 HB1 HIS 6 10.311 4.774 0.686 43 HD1 HIS 6 HD1 HIS 6 12.878 5.255 -2.037 44 HD2 HIS 6 HD2 HIS 6 12.293 2.864 1.328 45 HE1 HIS 6 HE1 HIS 6 15.062 4.037 -1.635 46 HE2 HIS 6 HE2 HIS 6 14.721 2.575 0.414 47 H GLN 7 HN GLN 7 11.254 2.115 -2.167 48 HA GLN 7 HA GLN 7 12.081 3.561 -4.565 49 HB2 GLN 7 HB2 GLN 7 13.761 2.301 -3.273 50 HB3 GLN 7 HB1 GLN 7 12.860 0.812 -3.561 51 HG2 GLN 7 HG2 GLN 7 13.151 1.104 -5.994 52 HG3 GLN 7 HG1 GLN 7 14.056 2.588 -5.707 53 HE21 GLN 7 HE21 GLN 7 16.262 2.211 -5.896 54 HE22 GLN 7 HE22 GLN 7 17.055 0.796 -5.395 55 H VAL 8 HN VAL 8 10.129 3.614 -5.738 56 HA VAL 8 HA VAL 8 9.492 1.062 -7.056 57 HB VAL 8 HB VAL 8 7.800 1.415 -5.286 58 HG11 VAL 8 HG11 VAL 8 8.032 3.953 -5.384 59 HG12 VAL 8 HG12 VAL 8 6.380 3.345 -5.283 60 HG13 VAL 8 HG13 VAL 8 7.021 3.901 -6.828 61 HG21 VAL 8 HG21 VAL 8 7.178 0.316 -7.417 62 HG22 VAL 8 HG22 VAL 8 6.771 1.888 -8.103 63 HG23 VAL 8 HG23 VAL 8 5.829 1.242 -6.760 64 H GLU 9 HN GLU 9 8.837 1.256 -9.195 65 HA GLU 9 HA GLU 9 8.647 3.964 -10.322 66 HB2 GLU 9 HB2 GLU 9 10.089 2.885 -12.276 67 HB3 GLU 9 HB1 GLU 9 10.856 3.673 -10.897 68 HG2 GLU 9 HG2 GLU 9 11.833 1.426 -11.435 69 HG3 GLU 9 HG1 GLU 9 11.201 1.541 -9.795 70 H LYS 10 HN LYS 10 7.690 4.013 -12.457 71 HA LYS 10 HA LYS 10 6.270 1.560 -13.249 72 HB2 LYS 10 HB2 LYS 10 4.165 2.773 -13.480 73 HB3 LYS 10 HB1 LYS 10 4.740 2.880 -11.815 74 HG2 LYS 10 HG2 LYS 10 5.718 5.103 -12.307 75 HG3 LYS 10 HG1 LYS 10 5.094 5.002 -13.954 76 HD2 LYS 10 HD2 LYS 10 2.789 4.797 -13.040 77 HD3 LYS 10 HD1 LYS 10 3.440 4.994 -11.412 78 HE2 LYS 10 HE2 LYS 10 3.731 7.014 -13.656 79 HE3 LYS 10 HE1 LYS 10 2.578 7.137 -12.327 80 HZ1 LYS 10 HZ1 LYS 10 5.537 7.181 -12.171 81 HZ2 LYS 10 HZ2 LYS 10 4.544 6.982 -10.806 82 HZ3 LYS 10 HZ3 LYS 10 4.454 8.408 -11.725 83 H ARG 11 HN ARG 11 5.399 1.672 -15.438 84 HA ARG 11 HA ARG 11 6.879 3.599 -17.129 85 HB2 ARG 11 HB2 ARG 11 6.095 0.761 -17.838 86 HB3 ARG 11 HB1 ARG 11 7.043 1.870 -18.829 87 HG2 ARG 11 HG2 ARG 11 8.812 0.811 -17.844 88 HG3 ARG 11 HG1 ARG 11 8.483 1.939 -16.528 89 HD2 ARG 11 HD2 ARG 11 7.171 0.300 -15.351 90 HD3 ARG 11 HD1 ARG 11 7.205 -0.798 -16.727 91 HE ARG 11 HE ARG 11 9.298 -0.417 -14.766 92 HH11 ARG 11 HH11 ARG 11 8.525 -1.431 -18.013 93 HH12 ARG 11 HH12 ARG 11 9.918 -2.445 -18.154 94 HH21 ARG 11 HH21 ARG 11 11.109 -1.751 -14.979 95 HH22 ARG 11 HH22 ARG 11 11.373 -2.626 -16.450 96 H LYS 12 HN LYS 12 5.720 4.772 -18.546 97 HA LYS 12 HA LYS 12 2.892 4.835 -18.396 98 HB2 LYS 12 HB2 LYS 12 3.026 6.463 -20.217 99 HB3 LYS 12 HB1 LYS 12 4.266 6.797 -19.008 100 HG2 LYS 12 HG2 LYS 12 5.916 5.553 -20.396 101 HG3 LYS 12 HG1 LYS 12 4.674 5.322 -21.626 102 HD2 LYS 12 HD2 LYS 12 4.450 7.751 -21.891 103 HD3 LYS 12 HD1 LYS 12 5.650 8.013 -20.624 104 HE2 LYS 12 HE2 LYS 12 6.711 8.210 -22.824 105 HE3 LYS 12 HE1 LYS 12 7.326 6.785 -21.987 106 HZ1 LYS 12 HZ1 LYS 12 6.722 6.370 -24.328 107 HZ2 LYS 12 HZ2 LYS 12 5.107 6.742 -23.958 108 HZ3 LYS 12 HZ3 LYS 12 5.857 5.398 -23.240 109 H CYS 13 HN CYS 13 1.331 3.991 -19.650 110 HA CYS 13 HA CYS 13 0.407 2.202 -20.827 111 HB2 CYS 13 HB2 CYS 13 1.762 4.073 -22.730 112 HB3 CYS 13 HB1 CYS 13 0.945 2.639 -23.353 113 H ASN 14 HN ASN 14 1.707 0.483 -19.875 114 HA ASN 14 HA ASN 14 3.831 -0.533 -21.651 115 HB2 ASN 14 HB2 ASN 14 4.444 -1.973 -19.717 116 HB3 ASN 14 HB1 ASN 14 4.542 -0.253 -19.345 117 HD21 ASN 14 HD21 ASN 14 3.881 -0.069 -17.188 118 HD22 ASN 14 HD22 ASN 14 2.469 -0.765 -16.554 119 H THR 15 HN THR 15 0.953 -0.762 -22.210 120 HA THR 15 HA THR 15 0.868 -3.681 -22.483 121 HB THR 15 HB THR 15 -0.445 -3.106 -20.449 122 HG1 THR 15 HG1 THR 15 -2.075 -4.407 -21.033 123 HG21 THR 15 HG21 THR 15 -2.329 -1.687 -22.334 124 HG22 THR 15 HG22 THR 15 -1.119 -0.824 -21.385 125 HG23 THR 15 HG23 THR 15 -2.391 -1.737 -20.573 126 H ALA 16 HN ALA 16 -0.291 -4.411 -24.263 127 HA ALA 16 HA ALA 16 -0.333 -2.767 -26.534 128 HB1 ALA 16 HB1 ALA 16 -1.791 -5.364 -26.002 129 HB2 ALA 16 HB2 ALA 16 -0.183 -5.188 -26.704 130 HB3 ALA 16 HB3 ALA 16 -1.599 -4.621 -27.590 131 H THR 17 HN THR 17 -2.745 -3.331 -24.082 132 HA THR 17 HA THR 17 -5.070 -2.614 -25.464 133 HB THR 17 HB THR 17 -4.371 -2.106 -22.563 134 HG1 THR 17 HG1 THR 17 -4.820 -4.136 -22.295 135 HG21 THR 17 HG21 THR 17 -6.850 -2.139 -22.276 136 HG22 THR 17 HG22 THR 17 -7.020 -2.180 -24.031 137 HG23 THR 17 HG23 THR 17 -6.293 -0.777 -23.248 138 H CYS 18 HN CYS 18 -2.617 -0.595 -23.904 139 HA CYS 18 HA CYS 18 -3.962 1.865 -24.049 140 HB2 CYS 18 HB2 CYS 18 -1.909 1.572 -22.750 141 HB3 CYS 18 HB1 CYS 18 -0.992 1.310 -24.234 142 H ALA 19 HN ALA 19 -1.797 0.280 -26.387 143 HA ALA 19 HA ALA 19 -1.735 2.346 -28.286 144 HB1 ALA 19 HB1 ALA 19 -0.359 0.156 -28.177 145 HB2 ALA 19 HB2 ALA 19 -0.811 0.774 -29.766 146 HB3 ALA 19 HB3 ALA 19 -1.711 -0.564 -29.052 147 H THR 20 HN THR 20 -3.954 -0.408 -27.945 148 HA THR 20 HA THR 20 -5.459 -0.043 -30.259 149 HB THR 20 HB THR 20 -6.394 -1.008 -27.548 150 HG1 THR 20 HG1 THR 20 -5.517 -2.840 -28.103 151 HG21 THR 20 HG21 THR 20 -7.571 -1.256 -30.327 152 HG22 THR 20 HG22 THR 20 -8.304 -0.474 -28.926 153 HG23 THR 20 HG23 THR 20 -8.097 -2.225 -28.950 154 H GLN 21 HN GLN 21 -5.900 1.435 -27.048 155 HA GLN 21 HA GLN 21 -8.254 2.873 -27.810 156 HB2 GLN 21 HB2 GLN 21 -8.214 2.586 -25.535 157 HB3 GLN 21 HB1 GLN 21 -6.465 2.787 -25.429 158 HG2 GLN 21 HG2 GLN 21 -6.613 5.146 -25.613 159 HG3 GLN 21 HG1 GLN 21 -8.276 5.077 -26.193 160 HE21 GLN 21 HE21 GLN 21 -6.311 4.297 -23.276 161 HE22 GLN 21 HE22 GLN 21 -7.564 4.608 -22.173 162 H ARG 22 HN ARG 22 -4.926 3.991 -27.088 163 HA ARG 22 HA ARG 22 -5.330 6.661 -27.825 164 HB2 ARG 22 HB2 ARG 22 -2.972 6.904 -27.797 165 HB3 ARG 22 HB1 ARG 22 -3.344 5.682 -26.584 166 HG2 ARG 22 HG2 ARG 22 -1.699 4.523 -27.671 167 HG3 ARG 22 HG1 ARG 22 -3.025 4.090 -28.745 168 HD2 ARG 22 HD2 ARG 22 -1.748 4.969 -30.395 169 HD3 ARG 22 HD1 ARG 22 -2.237 6.532 -29.747 170 HE ARG 22 HE ARG 22 -0.093 6.798 -28.894 171 HH11 ARG 22 HH11 ARG 22 -0.622 3.480 -29.828 172 HH12 ARG 22 HH12 ARG 22 1.033 3.029 -29.606 173 HH21 ARG 22 HH21 ARG 22 2.063 6.182 -28.615 174 HH22 ARG 22 HH22 ARG 22 2.545 4.547 -28.924 175 H LEU 23 HN LEU 23 -4.783 3.838 -29.807 176 HA LEU 23 HA LEU 23 -3.994 5.257 -32.164 177 HB2 LEU 23 HB2 LEU 23 -3.487 2.869 -31.863 178 HB3 LEU 23 HB1 LEU 23 -5.210 2.497 -31.871 179 HG LEU 23 HG LEU 23 -5.372 3.453 -34.171 180 HD11 LEU 23 HD11 LEU 23 -3.545 5.005 -34.203 181 HD12 LEU 23 HD12 LEU 23 -3.140 3.745 -35.368 182 HD13 LEU 23 HD13 LEU 23 -2.385 3.748 -33.775 183 HD21 LEU 23 HD21 LEU 23 -4.044 1.611 -35.281 184 HD22 LEU 23 HD22 LEU 23 -5.091 1.062 -33.972 185 HD23 LEU 23 HD23 LEU 23 -3.357 1.238 -33.701 186 H ALA 24 HN ALA 24 -7.075 3.853 -31.060 187 HA ALA 24 HA ALA 24 -8.614 4.558 -33.295 188 HB1 ALA 24 HB1 ALA 24 -9.752 4.551 -30.516 189 HB2 ALA 24 HB2 ALA 24 -9.190 3.051 -31.255 190 HB3 ALA 24 HB3 ALA 24 -10.482 3.981 -32.017 191 H ASN 25 HN ASN 25 -7.918 6.358 -30.308 192 HA ASN 25 HA ASN 25 -9.636 8.540 -30.826 193 HB2 ASN 25 HB2 ASN 25 -7.123 8.284 -29.170 194 HB3 ASN 25 HB1 ASN 25 -8.098 9.751 -29.220 195 HD21 ASN 25 HD21 ASN 25 -10.647 9.089 -28.963 196 HD22 ASN 25 HD22 ASN 25 -10.944 8.061 -27.645 197 H PHE 26 HN PHE 26 -6.262 7.912 -31.684 198 HA PHE 26 HA PHE 26 -5.783 10.507 -32.782 199 HB2 PHE 26 HB2 PHE 26 -3.979 8.993 -31.982 200 HB3 PHE 26 HB1 PHE 26 -4.317 7.919 -33.339 201 HD1 PHE 26 HD1 PHE 26 -3.291 11.392 -32.459 202 HD2 PHE 26 HD2 PHE 26 -3.466 8.373 -35.509 203 HE1 PHE 26 HE1 PHE 26 -1.857 12.789 -33.923 204 HE2 PHE 26 HE2 PHE 26 -2.031 9.770 -36.973 205 HZ PHE 26 HZ PHE 26 -1.227 11.978 -36.180 206 H LEU 27 HN LEU 27 -6.872 7.420 -34.101 207 HA LEU 27 HA LEU 27 -6.630 8.086 -36.827 208 HB2 LEU 27 HB2 LEU 27 -6.909 5.779 -36.069 209 HB3 LEU 27 HB1 LEU 27 -8.494 6.153 -35.414 210 HG LEU 27 HG LEU 27 -8.285 4.971 -37.743 211 HD11 LEU 27 HD11 LEU 27 -10.141 7.341 -37.744 212 HD12 LEU 27 HD12 LEU 27 -10.345 6.051 -36.559 213 HD13 LEU 27 HD13 LEU 27 -10.436 5.689 -38.281 214 HD21 LEU 27 HD21 LEU 27 -6.719 6.884 -38.542 215 HD22 LEU 27 HD22 LEU 27 -8.203 7.814 -38.747 216 HD23 LEU 27 HD23 LEU 27 -7.971 6.316 -39.645 217 H VAL 28 HN VAL 28 -9.590 8.017 -34.801 218 HA VAL 28 HA VAL 28 -11.354 9.122 -36.605 219 HB VAL 28 HB VAL 28 -12.647 9.896 -34.644 220 HG11 VAL 28 HG11 VAL 28 -12.528 7.468 -35.416 221 HG12 VAL 28 HG12 VAL 28 -13.038 7.714 -33.746 222 HG13 VAL 28 HG13 VAL 28 -11.389 7.200 -34.097 223 HG21 VAL 28 HG21 VAL 28 -10.115 9.119 -33.172 224 HG22 VAL 28 HG22 VAL 28 -11.663 9.405 -32.381 225 HG23 VAL 28 HG23 VAL 28 -10.853 10.718 -33.233 226 H HIS 29 HN HIS 29 -8.755 10.693 -34.925 227 HA HIS 29 HA HIS 29 -9.821 13.355 -35.511 228 HB2 HIS 29 HB2 HIS 29 -8.829 13.058 -33.317 229 HB3 HIS 29 HB1 HIS 29 -7.331 12.468 -34.038 230 HD1 HIS 29 HD1 HIS 29 -9.498 15.608 -34.114 231 HD2 HIS 29 HD2 HIS 29 -5.511 14.480 -34.573 232 HE1 HIS 29 HE1 HIS 29 -8.174 17.751 -34.381 233 HE2 HIS 29 HE2 HIS 29 -5.741 17.080 -34.662 234 H SER 30 HN SER 30 -7.345 11.115 -36.558 235 HA SER 30 HA SER 30 -6.214 13.106 -38.403 236 HB2 SER 30 HB2 SER 30 -4.764 11.614 -36.910 237 HB3 SER 30 HB1 SER 30 -5.234 10.288 -37.969 238 HG SER 30 HG SER 30 -3.857 11.016 -39.367 239 H SER 31 HN SER 31 -8.883 11.580 -38.647 240 HA SER 31 HA SER 31 -8.844 9.673 -40.643 241 HB2 SER 31 HB2 SER 31 -10.904 10.347 -39.517 242 HB3 SER 31 HB1 SER 31 -10.825 11.934 -40.275 243 HG SER 31 HG SER 31 -10.926 10.820 -42.308 244 H ASN 32 HN ASN 32 -8.984 13.203 -41.048 245 HA ASN 32 HA ASN 32 -9.057 13.432 -43.781 246 HB2 ASN 32 HB2 ASN 32 -7.636 15.526 -43.447 247 HB3 ASN 32 HB1 ASN 32 -9.123 15.432 -42.506 248 HD21 ASN 32 HD21 ASN 32 -5.813 16.056 -42.238 249 HD22 ASN 32 HD22 ASN 32 -5.645 15.800 -40.569 250 H ASN 33 HN ASN 33 -6.105 13.148 -41.805 251 HA ASN 33 HA ASN 33 -4.252 13.081 -43.909 252 HB2 ASN 33 HB2 ASN 33 -4.197 11.847 -41.153 253 HB3 ASN 33 HB1 ASN 33 -2.825 11.779 -42.258 254 HD21 ASN 33 HD21 ASN 33 -2.675 13.183 -39.755 255 HD22 ASN 33 HD22 ASN 33 -2.521 14.840 -40.090 256 H PHE 34 HN PHE 34 -6.002 10.407 -42.329 257 HA PHE 34 HA PHE 34 -4.805 8.293 -43.704 258 HB2 PHE 34 HB2 PHE 34 -6.308 7.961 -41.795 259 HB3 PHE 34 HB1 PHE 34 -7.670 8.536 -42.756 260 HD1 PHE 34 HD1 PHE 34 -4.947 5.962 -42.790 261 HD2 PHE 34 HD2 PHE 34 -8.926 7.014 -44.022 262 HE1 PHE 34 HE1 PHE 34 -5.270 3.678 -43.702 263 HE2 PHE 34 HE2 PHE 34 -9.248 4.731 -44.934 264 HZ PHE 34 HZ PHE 34 -7.420 3.063 -44.773 265 H GLY 35 HN GLY 35 -7.647 10.245 -44.559 266 HA2 GLY 35 HA2 GLY 35 -8.319 8.892 -46.943 267 HA3 GLY 35 HA1 GLY 35 -8.749 10.556 -46.560 268 H ALA 36 HN ALA 36 -6.385 11.826 -46.404 269 HA ALA 36 HA ALA 36 -5.710 12.369 -49.061 270 HB1 ALA 36 HB1 ALA 36 -5.264 13.700 -46.839 271 HB2 ALA 36 HB2 ALA 36 -4.179 13.890 -48.216 272 HB3 ALA 36 HB3 ALA 36 -3.723 12.844 -46.872 273 H ILE 37 HN ILE 37 -4.093 10.288 -46.684 274 HA ILE 37 HA ILE 37 -1.845 9.644 -48.279 275 HB ILE 37 HB ILE 37 -3.187 8.197 -45.992 276 HG12 ILE 37 HG12 ILE 37 -0.511 9.609 -46.132 277 HG13 ILE 37 HG11 ILE 37 -1.995 10.426 -45.644 278 HG21 ILE 37 HG21 ILE 37 -0.991 6.907 -45.934 279 HG22 ILE 37 HG22 ILE 37 -0.688 7.520 -47.560 280 HG23 ILE 37 HG23 ILE 37 -2.082 6.484 -47.253 281 HD11 ILE 37 HD11 ILE 37 -0.657 8.073 -44.290 282 HD12 ILE 37 HD12 ILE 37 -2.294 8.602 -43.901 283 HD13 ILE 37 HD13 ILE 37 -0.929 9.684 -43.625 284 H LEU 38 HN LEU 38 -4.931 7.912 -47.784 285 HA LEU 38 HA LEU 38 -4.333 5.762 -49.505 286 HB2 LEU 38 HB2 LEU 38 -6.176 5.705 -47.873 287 HB3 LEU 38 HB1 LEU 38 -7.030 6.944 -48.791 288 HG LEU 38 HG LEU 38 -7.054 5.412 -50.765 289 HD11 LEU 38 HD11 LEU 38 -5.150 4.017 -50.347 290 HD12 LEU 38 HD12 LEU 38 -6.563 2.969 -50.220 291 HD13 LEU 38 HD13 LEU 38 -5.760 3.548 -48.760 292 HD21 LEU 38 HD21 LEU 38 -9.025 5.441 -49.389 293 HD22 LEU 38 HD22 LEU 38 -8.254 4.438 -48.159 294 HD23 LEU 38 HD23 LEU 38 -8.671 3.747 -49.727 295 H SER 39 HN SER 39 -5.822 8.912 -50.081 296 HA SER 39 HA SER 39 -6.803 8.613 -52.634 297 HB2 SER 39 HB2 SER 39 -7.061 10.684 -51.368 298 HB3 SER 39 HB1 SER 39 -5.332 10.997 -51.486 299 HG SER 39 HG SER 39 -5.567 11.565 -53.522 300 H SER 40 HN SER 40 -3.475 8.856 -51.583 301 HA SER 40 HA SER 40 -2.482 9.077 -54.321 302 HB2 SER 40 HB2 SER 40 -1.036 8.918 -51.669 303 HB3 SER 40 HB1 SER 40 -0.252 9.136 -53.232 304 HG SER 40 HG SER 40 -1.021 11.037 -51.769 305 H THR 41 HN THR 41 -3.963 6.699 -53.667 306 HA THR 41 HA THR 41 -2.008 4.578 -53.312 307 HB THR 41 HB THR 41 -4.238 4.350 -52.312 308 HG1 THR 41 HG1 THR 41 -4.734 2.298 -53.378 309 HG21 THR 41 HG21 THR 41 -6.184 3.967 -53.837 310 HG22 THR 41 HG22 THR 41 -5.170 4.452 -55.194 311 HG23 THR 41 HG23 THR 41 -5.554 5.611 -53.922 312 H ASN 42 HN ASN 42 -2.251 6.467 -55.799 313 HA ASN 42 HA ASN 42 -2.653 4.467 -57.895 314 HB2 ASN 42 HB2 ASN 42 -2.523 6.317 -59.441 315 HB3 ASN 42 HB1 ASN 42 -3.597 6.771 -58.118 316 HD21 ASN 42 HD21 ASN 42 -2.420 8.839 -59.582 317 HD22 ASN 42 HD22 ASN 42 -1.226 9.600 -58.645 318 H VAL 43 HN VAL 43 -0.246 4.761 -55.914 319 HA VAL 43 HA VAL 43 1.945 5.115 -57.812 320 HB VAL 43 HB VAL 43 1.917 5.990 -55.394 321 HG11 VAL 43 HG11 VAL 43 2.773 3.158 -54.768 322 HG12 VAL 43 HG12 VAL 43 1.118 3.714 -54.524 323 HG13 VAL 43 HG13 VAL 43 2.442 4.471 -53.640 324 HG21 VAL 43 HG21 VAL 43 4.289 4.238 -56.077 325 HG22 VAL 43 HG22 VAL 43 4.286 5.793 -55.246 326 HG23 VAL 43 HG23 VAL 43 3.931 5.715 -56.972 327 H GLY 44 HN GLY 44 -0.044 2.771 -57.767 328 HA2 GLY 44 HA2 GLY 44 0.562 0.684 -58.843 329 HA3 GLY 44 HA1 GLY 44 2.017 0.655 -57.853 330 H SER 45 HN SER 45 -0.914 1.658 -56.327 331 HA SER 45 HA SER 45 -1.206 -1.014 -55.094 332 HB2 SER 45 HB2 SER 45 -1.764 0.139 -52.975 333 HB3 SER 45 HB1 SER 45 -0.123 0.492 -53.507 334 HG SER 45 HG SER 45 -0.871 2.456 -54.331 335 H ASN 46 HN ASN 46 -2.635 0.275 -57.347 336 HA ASN 46 HA ASN 46 -5.290 0.791 -56.220 337 HB2 ASN 46 HB2 ASN 46 -5.904 1.506 -58.446 338 HB3 ASN 46 HB1 ASN 46 -4.369 2.260 -58.017 339 HD21 ASN 46 HD21 ASN 46 -4.949 2.043 -60.732 340 HD22 ASN 46 HD22 ASN 46 -3.976 0.846 -61.440 341 H THR 47 HN THR 47 -3.897 -1.917 -56.336 342 HA THR 47 HA THR 47 -5.682 -3.399 -58.124 343 HB THR 47 HB THR 47 -3.683 -4.692 -56.302 344 HG1 THR 47 HG1 THR 47 -2.537 -3.024 -57.246 345 HG21 THR 47 HG21 THR 47 -4.699 -5.211 -59.109 346 HG22 THR 47 HG22 THR 47 -5.114 -6.122 -57.656 347 HG23 THR 47 HG23 THR 47 -3.471 -6.181 -58.296 348 H TYR 48 HN TYR 48 -6.608 -1.993 -55.652 349 HA TYR 48 HA TYR 48 -7.692 -4.344 -54.218 350 HB2 TYR 48 HB2 TYR 48 -7.761 -3.062 -52.208 351 HB3 TYR 48 HB1 TYR 48 -6.159 -2.808 -52.900 352 HD1 TYR 48 HD1 TYR 48 -9.183 -1.230 -51.778 353 HD2 TYR 48 HD2 TYR 48 -5.812 -0.736 -54.394 354 HE1 TYR 48 HE1 TYR 48 -9.602 1.213 -51.856 355 HE2 TYR 48 HE2 TYR 48 -6.231 1.708 -54.472 356 HH TYR 48 HH TYR 48 -8.910 3.133 -53.813 357 H GLY 49 HN GLY 49 -8.667 -2.774 -56.636 358 HA2 GLY 49 HA2 GLY 49 -10.804 -1.114 -56.124 359 HA3 GLY 49 HA1 GLY 49 -10.750 -2.244 -57.473 360 H LYS 50 HN LYS 50 -12.293 -1.443 -54.578 361 HA LYS 50 HA LYS 50 -13.226 -4.019 -53.778 362 HB2 LYS 50 HB2 LYS 50 -14.227 -1.221 -53.228 363 HB3 LYS 50 HB1 LYS 50 -14.949 -2.665 -52.517 364 HG2 LYS 50 HG2 LYS 50 -12.676 -3.280 -51.631 365 HG3 LYS 50 HG1 LYS 50 -12.089 -1.717 -52.197 366 HD2 LYS 50 HD2 LYS 50 -14.449 -2.005 -50.325 367 HD3 LYS 50 HD1 LYS 50 -12.795 -1.785 -49.755 368 HE2 LYS 50 HE2 LYS 50 -14.280 0.106 -51.605 369 HE3 LYS 50 HE1 LYS 50 -13.982 0.378 -49.888 370 HZ1 LYS 50 HZ1 LYS 50 -11.551 0.079 -50.464 371 HZ2 LYS 50 HZ2 LYS 50 -12.287 1.514 -50.998 372 HZ3 LYS 50 HZ3 LYS 50 -12.010 0.241 -52.089 373 H ARG 51 HN ARG 51 -14.240 -1.680 -56.146 374 HA ARG 51 HA ARG 51 -16.915 -2.451 -56.498 375 HB2 ARG 51 HB2 ARG 51 -16.801 -1.354 -58.630 376 HB3 ARG 51 HB1 ARG 51 -15.793 -0.436 -57.511 377 HG2 ARG 51 HG2 ARG 51 -13.800 -1.713 -58.358 378 HG3 ARG 51 HG1 ARG 51 -14.848 -2.447 -59.573 379 HD2 ARG 51 HD2 ARG 51 -15.426 -0.182 -60.410 380 HD3 ARG 51 HD1 ARG 51 -14.316 0.518 -59.236 381 HE ARG 51 HE ARG 51 -13.608 -0.816 -61.705 382 HH11 ARG 51 HH11 ARG 51 -12.559 0.113 -58.511 383 HH12 ARG 51 HH12 ARG 51 -10.880 0.083 -58.926 384 HH21 ARG 51 HH21 ARG 51 -11.409 -0.844 -62.218 385 HH22 ARG 51 HH22 ARG 51 -10.231 -0.455 -61.010 386 H ASN 52 HN ASN 52 -14.003 -4.122 -57.240 387 HA ASN 52 HA ASN 52 -15.163 -5.786 -59.313 388 HB2 ASN 52 HB2 ASN 52 -12.612 -5.084 -58.780 389 HB3 ASN 52 HB1 ASN 52 -12.677 -6.634 -57.942 390 HD21 ASN 52 HD21 ASN 52 -14.647 -7.837 -59.789 391 HD22 ASN 52 HD22 ASN 52 -13.824 -8.117 -61.247 392 H ALA 53 HN ALA 53 -14.776 -5.836 -55.861 393 HA ALA 53 HA ALA 53 -14.991 -8.602 -55.375 394 HB1 ALA 53 HB1 ALA 53 -15.741 -7.939 -53.124 395 HB2 ALA 53 HB2 ALA 53 -15.951 -6.280 -53.687 396 HB3 ALA 53 HB3 ALA 53 -14.341 -6.998 -53.639 397 H VAL 54 HN VAL 54 -17.501 -6.087 -55.655 398 HA VAL 54 HA VAL 54 -19.641 -7.937 -55.191 399 HB VAL 54 HB VAL 54 -19.767 -5.454 -54.772 400 HG11 VAL 54 HG11 VAL 54 -20.116 -5.334 -57.782 401 HG12 VAL 54 HG12 VAL 54 -18.655 -4.826 -56.935 402 HG13 VAL 54 HG13 VAL 54 -20.175 -3.978 -56.655 403 HG21 VAL 54 HG21 VAL 54 -22.100 -5.265 -55.602 404 HG22 VAL 54 HG22 VAL 54 -21.793 -6.845 -54.880 405 HG23 VAL 54 HG23 VAL 54 -21.834 -6.670 -56.635 406 H GLU 55 HN GLU 55 -17.920 -6.779 -58.015 407 HA GLU 55 HA GLU 55 -19.774 -7.583 -59.996 408 HB2 GLU 55 HB2 GLU 55 -17.770 -6.080 -60.317 409 HB3 GLU 55 HB1 GLU 55 -16.764 -7.527 -60.259 410 HG2 GLU 55 HG2 GLU 55 -19.117 -7.410 -62.127 411 HG3 GLU 55 HG1 GLU 55 -17.598 -6.642 -62.581 412 H VAL 56 HN VAL 56 -17.001 -9.253 -58.515 413 HA VAL 56 HA VAL 56 -17.411 -11.654 -60.046 414 HB VAL 56 HB VAL 56 -15.184 -10.993 -59.181 415 HG11 VAL 56 HG11 VAL 56 -16.395 -11.688 -56.487 416 HG12 VAL 56 HG12 VAL 56 -15.941 -10.069 -57.017 417 HG13 VAL 56 HG13 VAL 56 -14.702 -11.300 -56.785 418 HG21 VAL 56 HG21 VAL 56 -14.587 -13.249 -58.281 419 HG22 VAL 56 HG22 VAL 56 -15.593 -13.337 -59.728 420 HG23 VAL 56 HG23 VAL 56 -16.308 -13.612 -58.139 421 H LEU 57 HN LEU 57 -18.433 -10.460 -56.905 422 HA LEU 57 HA LEU 57 -19.266 -12.895 -55.757 423 HB2 LEU 57 HB2 LEU 57 -19.550 -10.067 -55.203 424 HB3 LEU 57 HB1 LEU 57 -21.056 -10.926 -54.882 425 HG LEU 57 HG LEU 57 -19.554 -12.666 -53.675 426 HD11 LEU 57 HD11 LEU 57 -17.446 -11.568 -54.608 427 HD12 LEU 57 HD12 LEU 57 -17.437 -11.891 -52.874 428 HD13 LEU 57 HD13 LEU 57 -17.735 -10.256 -53.465 429 HD21 LEU 57 HD21 LEU 57 -21.148 -11.048 -52.596 430 HD22 LEU 57 HD22 LEU 57 -19.820 -9.894 -52.470 431 HD23 LEU 57 HD23 LEU 57 -19.746 -11.424 -51.594 432 H LYS 58 HN LYS 58 -20.906 -10.614 -57.911 433 HA LYS 58 HA LYS 58 -23.472 -11.778 -57.808 434 HB2 LYS 58 HB2 LYS 58 -22.062 -10.135 -59.911 435 HB3 LYS 58 HB1 LYS 58 -23.731 -10.675 -60.094 436 HG2 LYS 58 HG2 LYS 58 -22.830 -9.221 -57.609 437 HG3 LYS 58 HG1 LYS 58 -23.335 -8.338 -59.050 438 HD2 LYS 58 HD2 LYS 58 -25.491 -9.597 -59.020 439 HD3 LYS 58 HD1 LYS 58 -24.990 -10.359 -57.510 440 HE2 LYS 58 HE2 LYS 58 -25.191 -7.361 -57.896 441 HE3 LYS 58 HE1 LYS 58 -26.468 -8.349 -57.187 442 HZ1 LYS 58 HZ1 LYS 58 -23.688 -8.136 -56.165 443 HZ2 LYS 58 HZ2 LYS 58 -24.932 -9.064 -55.477 444 HZ3 LYS 58 HZ3 LYS 58 -25.043 -7.369 -55.493 445 H ARG 59 HN ARG 59 -20.721 -12.350 -59.987 446 HA ARG 59 HA ARG 59 -22.065 -14.287 -61.587 447 HB2 ARG 59 HB2 ARG 59 -19.996 -12.970 -62.232 448 HB3 ARG 59 HB1 ARG 59 -19.080 -14.053 -61.183 449 HG2 ARG 59 HG2 ARG 59 -20.918 -15.371 -63.102 450 HG3 ARG 59 HG1 ARG 59 -19.521 -14.559 -63.810 451 HD2 ARG 59 HD2 ARG 59 -18.073 -15.784 -62.145 452 HD3 ARG 59 HD1 ARG 59 -19.497 -16.708 -61.677 453 HE ARG 59 HE ARG 59 -19.137 -16.829 -64.493 454 HH11 ARG 59 HH11 ARG 59 -17.806 -18.000 -61.490 455 HH12 ARG 59 HH12 ARG 59 -17.192 -19.456 -62.193 456 HH21 ARG 59 HH21 ARG 59 -18.328 -18.742 -65.384 457 HH22 ARG 59 HH22 ARG 59 -17.484 -19.876 -64.383 458 H GLU 60 HN GLU 60 -19.998 -14.469 -58.726 459 HA GLU 60 HA GLU 60 -19.867 -17.338 -58.734 460 HB2 GLU 60 HB2 GLU 60 -19.099 -15.191 -56.767 461 HB3 GLU 60 HB1 GLU 60 -19.034 -16.894 -56.320 462 HG2 GLU 60 HG2 GLU 60 -17.656 -15.717 -58.750 463 HG3 GLU 60 HG1 GLU 60 -16.859 -16.020 -57.208 464 HA PRO 61 HA PRO 61 -23.645 -18.215 -56.622 465 HB2 PRO 61 HB2 PRO 61 -22.981 -20.399 -55.128 466 HB3 PRO 61 HB1 PRO 61 -23.166 -20.452 -56.891 467 HG2 PRO 61 HG2 PRO 61 -20.690 -20.333 -55.251 468 HG3 PRO 61 HG1 PRO 61 -21.016 -21.228 -56.744 469 HD2 PRO 61 HD2 PRO 61 -19.607 -18.866 -56.668 470 HD3 PRO 61 HD1 PRO 61 -20.511 -19.426 -58.091 471 H LEU 62 HN LEU 62 -20.966 -17.073 -54.921 472 HA LEU 62 HA LEU 62 -21.644 -17.391 -52.230 473 HB2 LEU 62 HB2 LEU 62 -19.540 -16.332 -53.246 474 HB3 LEU 62 HB1 LEU 62 -20.486 -14.848 -53.364 475 HG LEU 62 HG LEU 62 -20.537 -16.283 -50.752 476 HD11 LEU 62 HD11 LEU 62 -18.139 -16.340 -51.432 477 HD12 LEU 62 HD12 LEU 62 -18.418 -15.281 -50.049 478 HD13 LEU 62 HD13 LEU 62 -18.185 -14.591 -51.655 479 HD21 LEU 62 HD21 LEU 62 -20.388 -13.842 -50.006 480 HD22 LEU 62 HD22 LEU 62 -21.826 -14.271 -50.931 481 HD23 LEU 62 HD23 LEU 62 -20.500 -13.411 -51.713 482 H ASN 63 HN ASN 63 -22.713 -14.966 -54.585 483 HA ASN 63 HA ASN 63 -24.366 -13.576 -52.673 484 HB2 ASN 63 HB2 ASN 63 -24.973 -12.154 -54.463 485 HB3 ASN 63 HB1 ASN 63 -23.290 -12.578 -54.772 486 HD21 ASN 63 HD21 ASN 63 -25.781 -11.961 -56.595 487 HD22 ASN 63 HD22 ASN 63 -25.718 -13.211 -57.741 488 H TYR 64 HN TYR 64 -24.731 -16.270 -54.819 489 HA TYR 64 HA TYR 64 -27.594 -16.181 -55.001 490 HB2 TYR 64 HB2 TYR 64 -26.125 -17.333 -56.662 491 HB3 TYR 64 HB1 TYR 64 -25.745 -18.537 -55.431 492 HD1 TYR 64 HD1 TYR 64 -28.534 -17.019 -57.377 493 HD2 TYR 64 HD2 TYR 64 -27.254 -20.304 -54.922 494 HE1 TYR 64 HE1 TYR 64 -30.619 -18.244 -57.928 495 HE2 TYR 64 HE2 TYR 64 -29.339 -21.528 -55.473 496 HH TYR 64 HH TYR 64 -31.044 -21.383 -57.613 497 H LEU 65 HN LEU 65 -25.251 -17.730 -52.873 498 HA LEU 65 HA LEU 65 -27.168 -19.382 -51.533 499 HB2 LEU 65 HB2 LEU 65 -24.379 -18.500 -50.749 500 HB3 LEU 65 HB1 LEU 65 -25.325 -19.708 -49.880 501 HG LEU 65 HG LEU 65 -24.673 -19.922 -52.828 502 HD11 LEU 65 HD11 LEU 65 -23.031 -21.690 -52.006 503 HD12 LEU 65 HD12 LEU 65 -23.234 -21.003 -50.395 504 HD13 LEU 65 HD13 LEU 65 -22.564 -20.018 -51.695 505 HD21 LEU 65 HD21 LEU 65 -25.202 -22.367 -52.283 506 HD22 LEU 65 HD22 LEU 65 -26.574 -21.260 -52.254 507 HD23 LEU 65 HD23 LEU 65 -25.834 -21.786 -50.742 508 HA PRO 66 HA PRO 66 -29.033 -16.687 -48.594 509 HB2 PRO 66 HB2 PRO 66 -27.994 -18.417 -46.397 510 HB3 PRO 66 HB1 PRO 66 -29.660 -17.922 -46.753 511 HG2 PRO 66 HG2 PRO 66 -28.802 -20.387 -47.271 512 HG3 PRO 66 HG1 PRO 66 -29.952 -19.558 -48.335 513 HD2 PRO 66 HD2 PRO 66 -27.041 -20.086 -48.756 514 HD3 PRO 66 HD1 PRO 66 -28.358 -20.000 -49.946 515 H LEU 67 HN LEU 67 -28.476 -14.850 -47.493 516 HA LEU 67 HA LEU 67 -26.106 -14.622 -45.899 517 HB2 LEU 67 HB2 LEU 67 -25.634 -14.367 -48.602 518 HB3 LEU 67 HB1 LEU 67 -25.863 -12.694 -48.091 519 HG LEU 67 HG LEU 67 -24.095 -14.556 -46.515 520 HD11 LEU 67 HD11 LEU 67 -23.154 -12.755 -48.759 521 HD12 LEU 67 HD12 LEU 67 -23.409 -14.488 -48.962 522 HD13 LEU 67 HD13 LEU 67 -22.193 -13.903 -47.827 523 HD21 LEU 67 HD21 LEU 67 -24.643 -12.488 -45.411 524 HD22 LEU 67 HD22 LEU 67 -24.339 -11.557 -46.878 525 HD23 LEU 67 HD23 LEU 67 -22.997 -12.316 -46.021 Start of MODEL 20 1 H1 THR 1 HT1 THR 1 -3.242 -4.572 -1.729 2 H2 THR 1 HT2 THR 1 -3.295 -2.978 -1.144 3 H3 THR 1 HT3 THR 1 -4.381 -4.140 -0.549 4 HA THR 1 HA THR 1 -2.902 -5.048 0.851 5 HB THR 1 HB THR 1 -1.400 -5.164 -1.511 6 HG1 THR 1 HG1 THR 1 -0.405 -6.755 -0.422 7 HG21 THR 1 HG21 THR 1 0.842 -4.478 -0.886 8 HG22 THR 1 HG22 THR 1 0.285 -3.949 0.699 9 HG23 THR 1 HG23 THR 1 -0.228 -3.084 -0.752 10 HA PRO 2 HA PRO 2 -1.941 -1.358 3.061 11 HB2 PRO 2 HB2 PRO 2 -0.076 -2.196 4.868 12 HB3 PRO 2 HB1 PRO 2 -1.790 -2.645 4.965 13 HG2 PRO 2 HG2 PRO 2 0.525 -4.220 3.965 14 HG3 PRO 2 HG1 PRO 2 -0.880 -4.748 4.904 15 HD2 PRO 2 HD2 PRO 2 -0.637 -5.136 2.192 16 HD3 PRO 2 HD1 PRO 2 -2.198 -5.016 3.033 17 H ILE 3 HN ILE 3 -0.328 0.290 3.469 18 HA ILE 3 HA ILE 3 1.400 0.846 1.393 19 HB ILE 3 HB ILE 3 0.653 2.455 3.164 20 HG12 ILE 3 HG12 ILE 3 2.923 3.614 3.304 21 HG13 ILE 3 HG11 ILE 3 3.596 2.199 2.494 22 HG21 ILE 3 HG21 ILE 3 1.198 0.916 5.076 23 HG22 ILE 3 HG22 ILE 3 1.862 2.539 5.266 24 HG23 ILE 3 HG23 ILE 3 2.909 1.211 4.764 25 HD11 ILE 3 HD11 ILE 3 1.257 3.753 1.366 26 HD12 ILE 3 HD12 ILE 3 2.266 2.564 0.542 27 HD13 ILE 3 HD13 ILE 3 2.932 4.140 0.971 28 H GLU 4 HN GLU 4 3.518 0.451 0.919 29 HA GLU 4 HA GLU 4 4.728 -1.909 1.801 30 HB2 GLU 4 HB2 GLU 4 6.718 -1.140 0.622 31 HB3 GLU 4 HB1 GLU 4 5.281 -0.754 -0.325 32 HG2 GLU 4 HG2 GLU 4 5.308 1.547 0.611 33 HG3 GLU 4 HG1 GLU 4 6.787 1.155 1.486 34 H SER 5 HN SER 5 7.099 -1.848 2.679 35 HA SER 5 HA SER 5 6.977 -1.032 5.381 36 HB2 SER 5 HB2 SER 5 9.350 -1.835 3.686 37 HB3 SER 5 HB1 SER 5 9.386 -1.652 5.437 38 HG SER 5 HG SER 5 8.124 -3.576 3.842 39 H HIS 6 HN HIS 6 8.530 0.431 6.456 40 HA HIS 6 HA HIS 6 8.415 3.039 5.324 41 HB2 HIS 6 HB2 HIS 6 9.602 3.750 7.317 42 HB3 HIS 6 HB1 HIS 6 8.373 2.568 7.768 43 HD1 HIS 6 HD1 HIS 6 12.034 3.140 7.739 44 HD2 HIS 6 HD2 HIS 6 9.449 -0.069 8.371 45 HE1 HIS 6 HE1 HIS 6 13.419 1.303 8.800 46 HE2 HIS 6 HE2 HIS 6 11.857 -0.660 9.191 47 H GLN 7 HN GLN 7 10.614 0.472 4.899 48 HA GLN 7 HA GLN 7 13.045 1.870 4.570 49 HB2 GLN 7 HB2 GLN 7 12.916 -0.584 4.761 50 HB3 GLN 7 HB1 GLN 7 12.103 -0.661 3.197 51 HG2 GLN 7 HG2 GLN 7 14.053 0.309 2.093 52 HG3 GLN 7 HG1 GLN 7 14.863 0.512 3.646 53 HE21 GLN 7 HE21 GLN 7 16.619 -0.943 2.972 54 HE22 GLN 7 HE22 GLN 7 16.369 -2.619 2.880 55 H VAL 8 HN VAL 8 13.827 3.089 2.948 56 HA VAL 8 HA VAL 8 12.244 3.236 0.452 57 HB VAL 8 HB VAL 8 11.996 5.253 1.905 58 HG11 VAL 8 HG11 VAL 8 14.369 5.055 2.812 59 HG12 VAL 8 HG12 VAL 8 13.875 6.679 2.335 60 HG13 VAL 8 HG13 VAL 8 14.919 5.729 1.278 61 HG21 VAL 8 HG21 VAL 8 11.780 5.417 -0.546 62 HG22 VAL 8 HG22 VAL 8 13.522 5.653 -0.689 63 HG23 VAL 8 HG23 VAL 8 12.530 6.874 0.108 64 H GLU 9 HN GLU 9 13.369 3.448 -1.473 65 HA GLU 9 HA GLU 9 16.292 3.524 -1.405 66 HB2 GLU 9 HB2 GLU 9 16.111 1.520 -3.139 67 HB3 GLU 9 HB1 GLU 9 16.238 1.222 -1.406 68 HG2 GLU 9 HG2 GLU 9 14.409 -0.090 -2.518 69 HG3 GLU 9 HG1 GLU 9 13.837 0.950 -1.216 70 H LYS 10 HN LYS 10 17.218 3.766 -3.591 71 HA LYS 10 HA LYS 10 15.292 4.900 -5.524 72 HB2 LYS 10 HB2 LYS 10 16.857 6.715 -6.005 73 HB3 LYS 10 HB1 LYS 10 16.421 6.728 -4.296 74 HG2 LYS 10 HG2 LYS 10 18.562 5.148 -4.110 75 HG3 LYS 10 HG1 LYS 10 19.017 6.001 -5.585 76 HD2 LYS 10 HD2 LYS 10 18.721 8.161 -4.448 77 HD3 LYS 10 HD1 LYS 10 18.230 7.327 -2.973 78 HE2 LYS 10 HE2 LYS 10 20.459 6.151 -2.988 79 HE3 LYS 10 HE1 LYS 10 20.937 7.193 -4.328 80 HZ1 LYS 10 HZ1 LYS 10 20.499 7.859 -1.516 81 HZ2 LYS 10 HZ2 LYS 10 20.084 9.032 -2.673 82 HZ3 LYS 10 HZ3 LYS 10 21.673 8.436 -2.596 83 H ARG 11 HN ARG 11 15.921 4.784 -7.719 84 HA ARG 11 HA ARG 11 18.326 3.237 -8.362 85 HB2 ARG 11 HB2 ARG 11 17.037 1.673 -9.772 86 HB3 ARG 11 HB1 ARG 11 16.577 1.543 -8.074 87 HG2 ARG 11 HG2 ARG 11 14.445 1.891 -8.718 88 HG3 ARG 11 HG1 ARG 11 14.912 3.546 -9.114 89 HD2 ARG 11 HD2 ARG 11 15.706 2.614 -11.366 90 HD3 ARG 11 HD1 ARG 11 14.828 1.146 -10.947 91 HE ARG 11 HE ARG 11 13.680 3.679 -11.740 92 HH11 ARG 11 HH11 ARG 11 13.178 0.691 -10.011 93 HH12 ARG 11 HH12 ARG 11 11.457 0.752 -10.170 94 HH21 ARG 11 HH21 ARG 11 11.430 3.730 -11.934 95 HH22 ARG 11 HH22 ARG 11 10.471 2.460 -11.250 96 H LYS 12 HN LYS 12 18.736 3.196 -10.726 97 HA LYS 12 HA LYS 12 18.188 5.809 -11.857 98 HB2 LYS 12 HB2 LYS 12 19.762 5.164 -13.594 99 HB3 LYS 12 HB1 LYS 12 20.433 4.749 -12.017 100 HG2 LYS 12 HG2 LYS 12 19.537 2.417 -12.328 101 HG3 LYS 12 HG1 LYS 12 19.087 2.867 -13.973 102 HD2 LYS 12 HD2 LYS 12 21.208 1.906 -14.269 103 HD3 LYS 12 HD1 LYS 12 21.571 3.630 -14.190 104 HE2 LYS 12 HE2 LYS 12 23.138 2.562 -12.732 105 HE3 LYS 12 HE1 LYS 12 21.931 3.308 -11.685 106 HZ1 LYS 12 HZ1 LYS 12 21.955 1.235 -10.805 107 HZ2 LYS 12 HZ2 LYS 12 22.411 0.485 -12.260 108 HZ3 LYS 12 HZ3 LYS 12 20.799 0.966 -12.017 109 H CYS 13 HN CYS 13 16.800 6.283 -13.458 110 HA CYS 13 HA CYS 13 14.627 4.677 -14.087 111 HB2 CYS 13 HB2 CYS 13 15.652 7.229 -14.898 112 HB3 CYS 13 HB1 CYS 13 15.084 6.356 -16.320 113 H ASN 14 HN ASN 14 15.149 2.595 -14.708 114 HA ASN 14 HA ASN 14 16.613 2.318 -17.262 115 HB2 ASN 14 HB2 ASN 14 16.942 -0.074 -16.519 116 HB3 ASN 14 HB1 ASN 14 17.776 1.133 -15.542 117 HD21 ASN 14 HD21 ASN 14 17.367 1.068 -13.318 118 HD22 ASN 14 HD22 ASN 14 16.084 0.221 -12.601 119 H THR 15 HN THR 15 13.723 1.350 -15.463 120 HA THR 15 HA THR 15 12.597 -0.550 -17.072 121 HB THR 15 HB THR 15 11.461 0.121 -15.073 122 HG1 THR 15 HG1 THR 15 9.357 0.667 -16.016 123 HG21 THR 15 HG21 THR 15 10.246 2.420 -15.152 124 HG22 THR 15 HG22 THR 15 11.428 2.832 -16.393 125 HG23 THR 15 HG23 THR 15 11.966 2.396 -14.771 126 H ALA 16 HN ALA 16 11.358 -0.618 -18.919 127 HA ALA 16 HA ALA 16 11.999 1.193 -20.986 128 HB1 ALA 16 HB1 ALA 16 9.849 -0.919 -20.766 129 HB2 ALA 16 HB2 ALA 16 11.430 -1.074 -21.532 130 HB3 ALA 16 HB3 ALA 16 10.201 -0.031 -22.249 131 H THR 17 HN THR 17 9.521 1.251 -18.570 132 HA THR 17 HA THR 17 7.624 2.853 -19.972 133 HB THR 17 HB THR 17 8.086 2.528 -16.997 134 HG1 THR 17 HG1 THR 17 6.491 0.978 -17.186 135 HG21 THR 17 HG21 THR 17 5.634 3.217 -16.945 136 HG22 THR 17 HG22 THR 17 5.837 3.733 -18.619 137 HG23 THR 17 HG23 THR 17 6.779 4.500 -17.340 138 H CYS 18 HN CYS 18 10.329 3.577 -17.807 139 HA CYS 18 HA CYS 18 9.883 6.345 -17.548 140 HB2 CYS 18 HB2 CYS 18 11.487 4.930 -16.197 141 HB3 CYS 18 HB1 CYS 18 12.583 4.988 -17.578 142 H ALA 19 HN ALA 19 11.874 4.515 -19.864 143 HA ALA 19 HA ALA 19 12.838 6.775 -21.273 144 HB1 ALA 19 HB1 ALA 19 13.967 4.654 -21.492 145 HB2 ALA 19 HB2 ALA 19 13.344 5.109 -23.078 146 HB3 ALA 19 HB3 ALA 19 12.507 3.889 -22.119 147 H THR 20 HN THR 20 9.960 4.769 -21.642 148 HA THR 20 HA THR 20 9.054 5.474 -24.135 149 HB THR 20 HB THR 20 7.390 5.201 -21.622 150 HG1 THR 20 HG1 THR 20 7.291 3.066 -22.218 151 HG21 THR 20 HG21 THR 20 6.706 5.159 -24.566 152 HG22 THR 20 HG22 THR 20 6.026 6.197 -23.313 153 HG23 THR 20 HG23 THR 20 5.648 4.475 -23.332 154 H GLN 21 HN GLN 21 8.749 7.370 -21.141 155 HA GLN 21 HA GLN 21 7.253 9.468 -22.421 156 HB2 GLN 21 HB2 GLN 21 7.062 10.388 -20.336 157 HB3 GLN 21 HB1 GLN 21 7.500 8.751 -19.849 158 HG2 GLN 21 HG2 GLN 21 9.936 9.537 -19.934 159 HG3 GLN 21 HG1 GLN 21 9.296 11.176 -20.040 160 HE21 GLN 21 HE21 GLN 21 10.765 10.788 -17.805 161 HE22 GLN 21 HE22 GLN 21 9.787 10.563 -16.436 162 H ARG 22 HN ARG 22 10.619 8.743 -21.930 163 HA ARG 22 HA ARG 22 11.615 11.387 -22.351 164 HB2 ARG 22 HB2 ARG 22 12.982 9.737 -21.208 165 HB3 ARG 22 HB1 ARG 22 12.948 8.682 -22.619 166 HG2 ARG 22 HG2 ARG 22 15.069 9.941 -22.504 167 HG3 ARG 22 HG1 ARG 22 14.147 10.394 -23.935 168 HD2 ARG 22 HD2 ARG 22 15.112 12.350 -22.683 169 HD3 ARG 22 HD1 ARG 22 13.363 12.417 -22.872 170 HE ARG 22 HE ARG 22 13.152 12.181 -20.569 171 HH11 ARG 22 HH11 ARG 22 16.394 11.385 -21.579 172 HH12 ARG 22 HH12 ARG 22 17.001 11.289 -19.962 173 HH21 ARG 22 HH21 ARG 22 13.973 12.053 -18.469 174 HH22 ARG 22 HH22 ARG 22 15.641 11.664 -18.211 175 H LEU 23 HN LEU 23 11.167 8.565 -24.455 176 HA LEU 23 HA LEU 23 12.178 9.955 -26.775 177 HB2 LEU 23 HB2 LEU 23 11.612 7.954 -28.011 178 HB3 LEU 23 HB1 LEU 23 12.383 7.486 -26.497 179 HG LEU 23 HG LEU 23 9.759 7.574 -25.743 180 HD11 LEU 23 HD11 LEU 23 8.865 7.968 -27.936 181 HD12 LEU 23 HD12 LEU 23 8.580 6.264 -27.581 182 HD13 LEU 23 HD13 LEU 23 9.904 6.734 -28.647 183 HD21 LEU 23 HD21 LEU 23 9.852 5.053 -26.093 184 HD22 LEU 23 HD22 LEU 23 11.205 5.739 -25.193 185 HD23 LEU 23 HD23 LEU 23 11.404 5.307 -26.892 186 H ALA 24 HN ALA 24 9.043 9.362 -25.328 187 HA ALA 24 HA ALA 24 7.393 9.923 -27.523 188 HB1 ALA 24 HB1 ALA 24 6.901 10.599 -24.611 189 HB2 ALA 24 HB2 ALA 24 6.568 9.039 -25.364 190 HB3 ALA 24 HB3 ALA 24 5.673 10.471 -25.870 191 H ASN 25 HN ASN 25 8.678 12.125 -25.026 192 HA ASN 25 HA ASN 25 7.568 14.484 -26.110 193 HB2 ASN 25 HB2 ASN 25 9.963 14.006 -24.332 194 HB3 ASN 25 HB1 ASN 25 9.384 15.615 -24.758 195 HD21 ASN 25 HD21 ASN 25 6.728 15.626 -24.486 196 HD22 ASN 25 HD22 ASN 25 6.223 15.062 -22.967 197 H PHE 26 HN PHE 26 10.632 12.813 -26.634 198 HA PHE 26 HA PHE 26 11.911 14.792 -28.183 199 HB2 PHE 26 HB2 PHE 26 13.084 12.853 -27.203 200 HB3 PHE 26 HB1 PHE 26 12.236 11.785 -28.322 201 HD1 PHE 26 HD1 PHE 26 14.541 14.718 -28.174 202 HD2 PHE 26 HD2 PHE 26 13.024 11.461 -30.528 203 HE1 PHE 26 HE1 PHE 26 16.252 15.176 -29.910 204 HE2 PHE 26 HE2 PHE 26 14.734 11.919 -32.264 205 HZ PHE 26 HZ PHE 26 16.348 13.776 -31.955 206 H LEU 27 HN LEU 27 9.617 12.255 -29.017 207 HA LEU 27 HA LEU 27 9.902 12.264 -31.795 208 HB2 LEU 27 HB2 LEU 27 8.580 10.586 -30.624 209 HB3 LEU 27 HB1 LEU 27 7.449 11.809 -30.071 210 HG LEU 27 HG LEU 27 6.861 10.299 -32.139 211 HD11 LEU 27 HD11 LEU 27 6.387 13.240 -32.579 212 HD12 LEU 27 HD12 LEU 27 5.682 12.421 -31.185 213 HD13 LEU 27 HD13 LEU 27 5.288 11.883 -32.816 214 HD21 LEU 27 HD21 LEU 27 9.076 11.027 -33.270 215 HD22 LEU 27 HD22 LEU 27 8.234 12.532 -33.633 216 HD23 LEU 27 HD23 LEU 27 7.615 11.006 -34.256 217 H VAL 28 HN VAL 28 7.390 13.961 -29.905 218 HA VAL 28 HA VAL 28 6.542 15.582 -32.064 219 HB VAL 28 HB VAL 28 5.299 16.845 -30.343 220 HG11 VAL 28 HG11 VAL 28 4.576 14.568 -31.246 221 HG12 VAL 28 HG12 VAL 28 3.870 15.040 -29.700 222 HG13 VAL 28 HG13 VAL 28 5.197 13.880 -29.745 223 HG21 VAL 28 HG21 VAL 28 6.720 15.021 -28.377 224 HG22 VAL 28 HG22 VAL 28 5.531 16.265 -27.992 225 HG23 VAL 28 HG23 VAL 28 7.118 16.723 -28.612 226 H HIS 29 HN HIS 29 9.209 15.837 -29.905 227 HA HIS 29 HA HIS 29 9.489 18.720 -30.198 228 HB2 HIS 29 HB2 HIS 29 10.094 17.666 -28.071 229 HB3 HIS 29 HB1 HIS 29 11.297 16.674 -28.895 230 HD1 HIS 29 HD1 HIS 29 10.497 20.370 -28.387 231 HD2 HIS 29 HD2 HIS 29 13.776 17.892 -29.084 232 HE1 HIS 29 HE1 HIS 29 12.550 21.850 -28.279 233 HE2 HIS 29 HE2 HIS 29 14.557 20.354 -28.701 234 H SER 30 HN SER 30 10.605 15.835 -31.761 235 HA SER 30 HA SER 30 12.776 17.271 -33.136 236 HB2 SER 30 HB2 SER 30 13.339 15.105 -32.158 237 HB3 SER 30 HB1 SER 30 12.035 14.340 -33.061 238 HG SER 30 HG SER 30 13.103 14.771 -34.946 239 H SER 31 HN SER 31 9.711 17.434 -33.633 240 HA SER 31 HA SER 31 9.168 16.229 -36.123 241 HB2 SER 31 HB2 SER 31 7.390 17.137 -34.725 242 HB3 SER 31 HB1 SER 31 8.041 18.763 -34.908 243 HG SER 31 HG SER 31 7.654 18.566 -37.155 244 H ASN 32 HN ASN 32 10.169 19.555 -35.359 245 HA ASN 32 HA ASN 32 10.395 20.543 -37.951 246 HB2 ASN 32 HB2 ASN 32 12.165 22.085 -36.933 247 HB3 ASN 32 HB1 ASN 32 10.570 22.105 -36.182 248 HD21 ASN 32 HD21 ASN 32 13.897 21.712 -35.531 249 HD22 ASN 32 HD22 ASN 32 13.753 21.057 -33.972 250 H ASN 33 HN ASN 33 12.953 19.074 -35.958 251 HA ASN 33 HA ASN 33 14.986 19.150 -37.917 252 HB2 ASN 33 HB2 ASN 33 14.550 17.342 -35.537 253 HB3 ASN 33 HB1 ASN 33 15.998 17.285 -36.541 254 HD21 ASN 33 HD21 ASN 33 16.742 19.839 -36.977 255 HD22 ASN 33 HD22 ASN 33 16.928 20.705 -35.529 256 H PHE 34 HN PHE 34 12.599 16.636 -37.134 257 HA PHE 34 HA PHE 34 13.466 14.567 -38.711 258 HB2 PHE 34 HB2 PHE 34 11.502 14.430 -37.248 259 HB3 PHE 34 HB1 PHE 34 10.608 15.487 -38.342 260 HD1 PHE 34 HD1 PHE 34 12.607 12.311 -38.385 261 HD2 PHE 34 HD2 PHE 34 9.317 14.526 -40.036 262 HE1 PHE 34 HE1 PHE 34 11.981 10.351 -39.769 263 HE2 PHE 34 HE2 PHE 34 8.693 12.566 -41.421 264 HZ PHE 34 HZ PHE 34 10.025 10.478 -41.287 265 H GLY 35 HN GLY 35 11.396 17.287 -39.739 266 HA2 GLY 35 HA2 GLY 35 11.126 16.456 -42.417 267 HA3 GLY 35 HA1 GLY 35 10.891 18.100 -41.844 268 H ALA 36 HN ALA 36 13.490 18.521 -40.805 269 HA ALA 36 HA ALA 36 14.846 19.495 -43.068 270 HB1 ALA 36 HB1 ALA 36 16.799 19.704 -41.438 271 HB2 ALA 36 HB2 ALA 36 15.728 18.998 -40.228 272 HB3 ALA 36 HB3 ALA 36 15.308 20.533 -40.988 273 H ILE 37 HN ILE 37 15.397 16.559 -41.135 274 HA ILE 37 HA ILE 37 17.667 15.735 -42.691 275 HB ILE 37 HB ILE 37 15.932 14.298 -40.677 276 HG12 ILE 37 HG12 ILE 37 18.835 15.153 -40.523 277 HG13 ILE 37 HG11 ILE 37 17.509 16.173 -39.966 278 HG21 ILE 37 HG21 ILE 37 17.819 12.593 -40.736 279 HG22 ILE 37 HG22 ILE 37 18.351 13.355 -42.235 280 HG23 ILE 37 HG23 ILE 37 16.763 12.594 -42.149 281 HD11 ILE 37 HD11 ILE 37 18.187 13.395 -38.960 282 HD12 ILE 37 HD12 ILE 37 16.769 14.318 -38.464 283 HD13 ILE 37 HD13 ILE 37 18.385 14.908 -38.075 284 H LEU 38 HN LEU 38 14.240 14.797 -42.598 285 HA LEU 38 HA LEU 38 14.364 12.711 -44.462 286 HB2 LEU 38 HB2 LEU 38 12.387 13.139 -43.078 287 HB3 LEU 38 HB1 LEU 38 12.104 14.657 -43.928 288 HG LEU 38 HG LEU 38 11.839 13.391 -46.055 289 HD11 LEU 38 HD11 LEU 38 13.174 11.439 -45.644 290 HD12 LEU 38 HD12 LEU 38 11.508 10.882 -45.796 291 HD13 LEU 38 HD13 LEU 38 12.246 11.032 -44.201 292 HD21 LEU 38 HD21 LEU 38 9.914 13.913 -44.472 293 HD22 LEU 38 HD22 LEU 38 10.050 12.253 -43.893 294 HD23 LEU 38 HD23 LEU 38 9.636 12.568 -45.578 295 H SER 39 HN SER 39 13.687 16.165 -44.950 296 HA SER 39 HA SER 39 13.207 16.223 -47.656 297 HB2 SER 39 HB2 SER 39 14.786 18.219 -46.022 298 HB3 SER 39 HB1 SER 39 14.133 18.526 -47.628 299 HG SER 39 HG SER 39 12.446 19.122 -46.500 300 H SER 40 HN SER 40 16.225 15.656 -46.013 301 HA SER 40 HA SER 40 17.787 15.961 -48.464 302 HB2 SER 40 HB2 SER 40 18.628 15.148 -45.673 303 HB3 SER 40 HB1 SER 40 19.718 15.456 -47.022 304 HG SER 40 HG SER 40 17.856 17.306 -45.928 305 H THR 41 HN THR 41 15.768 13.919 -48.456 306 HA THR 41 HA THR 41 17.159 11.387 -48.093 307 HB THR 41 HB THR 41 14.792 11.505 -47.515 308 HG1 THR 41 HG1 THR 41 14.924 9.527 -48.179 309 HG21 THR 41 HG21 THR 41 13.135 11.790 -49.408 310 HG22 THR 41 HG22 THR 41 14.479 12.341 -50.407 311 HG23 THR 41 HG23 THR 41 14.016 13.254 -48.971 312 H ASN 42 HN ASN 42 18.520 12.942 -49.914 313 HA ASN 42 HA ASN 42 17.750 11.949 -52.572 314 HB2 ASN 42 HB2 ASN 42 19.315 13.557 -53.457 315 HB3 ASN 42 HB1 ASN 42 18.306 14.370 -52.261 316 HD21 ASN 42 HD21 ASN 42 20.843 15.449 -52.889 317 HD22 ASN 42 HD22 ASN 42 21.878 15.240 -51.560 318 H VAL 43 HN VAL 43 19.044 10.375 -50.296 319 HA VAL 43 HA VAL 43 21.649 9.700 -51.416 320 HB VAL 43 HB VAL 43 21.068 9.838 -48.910 321 HG11 VAL 43 HG11 VAL 43 20.053 7.032 -49.439 322 HG12 VAL 43 HG12 VAL 43 18.985 8.415 -49.202 323 HG13 VAL 43 HG13 VAL 43 20.064 7.902 -47.905 324 HG21 VAL 43 HG21 VAL 43 22.330 7.236 -49.809 325 HG22 VAL 43 HG22 VAL 43 22.733 8.206 -48.394 326 HG23 VAL 43 HG23 VAL 43 23.136 8.792 -50.007 327 H GLY 44 HN GLY 44 18.846 9.101 -52.651 328 HA2 GLY 44 HA2 GLY 44 18.538 7.454 -54.355 329 HA3 GLY 44 HA1 GLY 44 19.528 6.342 -53.417 330 H SER 45 HN SER 45 17.399 8.013 -51.412 331 HA SER 45 HA SER 45 15.562 5.701 -51.378 332 HB2 SER 45 HB2 SER 45 15.088 6.397 -49.032 333 HB3 SER 45 HB1 SER 45 16.774 5.958 -49.293 334 HG SER 45 HG SER 45 16.764 7.888 -48.210 335 H ASN 46 HN ASN 46 15.424 8.139 -53.102 336 HA ASN 46 HA ASN 46 13.068 9.530 -52.062 337 HB2 ASN 46 HB2 ASN 46 13.351 11.031 -53.940 338 HB3 ASN 46 HB1 ASN 46 14.914 10.800 -53.159 339 HD21 ASN 46 HD21 ASN 46 14.168 11.426 -56.079 340 HD22 ASN 46 HD22 ASN 46 14.994 10.243 -56.973 341 H THR 47 HN THR 47 13.081 6.654 -52.964 342 HA THR 47 HA THR 47 11.370 6.733 -55.335 343 HB THR 47 HB THR 47 11.497 4.116 -54.254 344 HG1 THR 47 HG1 THR 47 13.864 3.997 -54.286 345 HG21 THR 47 HG21 THR 47 11.403 4.548 -56.613 346 HG22 THR 47 HG22 THR 47 12.960 3.781 -56.297 347 HG23 THR 47 HG23 THR 47 12.871 5.524 -56.552 348 H TYR 48 HN TYR 48 10.577 7.795 -52.614 349 HA TYR 48 HA TYR 48 8.256 6.047 -52.090 350 HB2 TYR 48 HB2 TYR 48 8.152 6.981 -49.906 351 HB3 TYR 48 HB1 TYR 48 9.860 6.659 -50.203 352 HD1 TYR 48 HD1 TYR 48 7.392 9.177 -49.447 353 HD2 TYR 48 HD2 TYR 48 11.329 8.571 -51.054 354 HE1 TYR 48 HE1 TYR 48 7.910 11.575 -49.083 355 HE2 TYR 48 HE2 TYR 48 11.847 10.968 -50.690 356 HH TYR 48 HH TYR 48 9.371 13.245 -49.652 357 H GLY 49 HN GLY 49 8.722 8.228 -54.214 358 HA2 GLY 49 HA2 GLY 49 7.218 10.505 -53.738 359 HA3 GLY 49 HA1 GLY 49 7.368 9.732 -55.313 360 H LYS 50 HN LYS 50 5.068 11.035 -53.826 361 HA LYS 50 HA LYS 50 3.159 9.095 -53.102 362 HB2 LYS 50 HB2 LYS 50 2.867 11.914 -54.150 363 HB3 LYS 50 HB1 LYS 50 1.500 10.940 -53.607 364 HG2 LYS 50 HG2 LYS 50 2.709 10.620 -51.413 365 HG3 LYS 50 HG1 LYS 50 3.896 11.802 -51.966 366 HD2 LYS 50 HD2 LYS 50 0.921 12.359 -51.823 367 HD3 LYS 50 HD1 LYS 50 2.054 12.775 -50.538 368 HE2 LYS 50 HE2 LYS 50 2.194 13.757 -53.404 369 HE3 LYS 50 HE1 LYS 50 1.681 14.709 -52.012 370 HZ1 LYS 50 HZ1 LYS 50 3.992 13.916 -51.101 371 HZ2 LYS 50 HZ2 LYS 50 3.865 15.280 -52.106 372 HZ3 LYS 50 HZ3 LYS 50 4.358 13.788 -52.752 373 H ARG 51 HN ARG 51 3.965 10.565 -56.214 374 HA ARG 51 HA ARG 51 1.794 9.452 -57.668 375 HB2 ARG 51 HB2 ARG 51 2.949 10.170 -59.633 376 HB3 ARG 51 HB1 ARG 51 3.255 11.387 -58.394 377 HG2 ARG 51 HG2 ARG 51 5.412 10.190 -57.864 378 HG3 ARG 51 HG1 ARG 51 5.121 9.165 -59.270 379 HD2 ARG 51 HD2 ARG 51 5.021 11.198 -60.697 380 HD3 ARG 51 HD1 ARG 51 5.400 12.183 -59.288 381 HE ARG 51 HE ARG 51 7.243 10.539 -60.797 382 HH11 ARG 51 HH11 ARG 51 6.567 12.072 -57.738 383 HH12 ARG 51 HH12 ARG 51 8.230 12.139 -57.270 384 HH21 ARG 51 HH21 ARG 51 9.408 10.643 -60.160 385 HH22 ARG 51 HH22 ARG 51 9.830 11.336 -58.630 386 H ASN 52 HN ASN 52 4.649 8.054 -56.397 387 HA ASN 52 HA ASN 52 4.863 5.945 -58.365 388 HB2 ASN 52 HB2 ASN 52 6.661 6.991 -56.674 389 HB3 ASN 52 HB1 ASN 52 6.096 5.652 -55.677 390 HD21 ASN 52 HD21 ASN 52 5.506 3.872 -57.967 391 HD22 ASN 52 HD22 ASN 52 7.008 3.395 -58.597 392 H ALA 53 HN ALA 53 3.216 6.485 -55.344 393 HA ALA 53 HA ALA 53 2.750 3.843 -54.532 394 HB1 ALA 53 HB1 ALA 53 0.961 4.729 -53.201 395 HB2 ALA 53 HB2 ALA 53 0.823 6.152 -54.234 396 HB3 ALA 53 HB3 ALA 53 2.248 5.934 -53.219 397 H VAL 54 HN VAL 54 0.914 5.928 -56.752 398 HA VAL 54 HA VAL 54 -1.110 3.942 -57.222 399 HB VAL 54 HB VAL 54 -1.265 6.527 -57.493 400 HG11 VAL 54 HG11 VAL 54 -0.389 5.790 -60.295 401 HG12 VAL 54 HG12 VAL 54 0.701 6.524 -59.119 402 HG13 VAL 54 HG13 VAL 54 -0.733 7.398 -59.656 403 HG21 VAL 54 HG21 VAL 54 -3.063 6.238 -59.124 404 HG22 VAL 54 HG22 VAL 54 -3.052 4.863 -58.021 405 HG23 VAL 54 HG23 VAL 54 -2.380 4.697 -59.642 406 H GLU 55 HN GLU 55 1.954 4.796 -58.692 407 HA GLU 55 HA GLU 55 1.603 3.496 -61.174 408 HB2 GLU 55 HB2 GLU 55 3.453 5.104 -60.538 409 HB3 GLU 55 HB1 GLU 55 4.208 3.769 -59.669 410 HG2 GLU 55 HG2 GLU 55 3.369 3.426 -62.538 411 HG3 GLU 55 HG1 GLU 55 4.900 4.207 -62.150 412 H VAL 56 HN VAL 56 3.010 2.341 -58.104 413 HA VAL 56 HA VAL 56 3.503 -0.293 -59.118 414 HB VAL 56 HB VAL 56 4.777 0.688 -57.223 415 HG11 VAL 56 HG11 VAL 56 2.245 0.190 -55.632 416 HG12 VAL 56 HG12 VAL 56 2.793 1.786 -56.144 417 HG13 VAL 56 HG13 VAL 56 3.768 0.838 -55.023 418 HG21 VAL 56 HG21 VAL 56 4.628 -1.374 -55.766 419 HG22 VAL 56 HG22 VAL 56 4.819 -1.711 -57.487 420 HG23 VAL 56 HG23 VAL 56 3.235 -1.873 -56.727 421 H LEU 57 HN LEU 57 0.895 1.223 -57.277 422 HA LEU 57 HA LEU 57 -0.542 -1.040 -56.509 423 HB2 LEU 57 HB2 LEU 57 -1.012 1.797 -56.705 424 HB3 LEU 57 HB1 LEU 57 -2.435 0.909 -57.249 425 HG LEU 57 HG LEU 57 -2.041 -0.547 -55.118 426 HD11 LEU 57 HD11 LEU 57 0.184 0.481 -54.629 427 HD12 LEU 57 HD12 LEU 57 -0.948 0.634 -53.285 428 HD13 LEU 57 HD13 LEU 57 -0.626 2.019 -54.329 429 HD21 LEU 57 HD21 LEU 57 -4.005 0.819 -55.315 430 HD22 LEU 57 HD22 LEU 57 -3.072 2.301 -55.110 431 HD23 LEU 57 HD23 LEU 57 -3.292 1.203 -53.748 432 H LYS 58 HN LYS 58 -0.914 0.889 -59.497 433 HA LYS 58 HA LYS 58 -2.861 -0.856 -60.611 434 HB2 LYS 58 HB2 LYS 58 -1.085 1.264 -61.828 435 HB3 LYS 58 HB1 LYS 58 -2.277 0.361 -62.765 436 HG2 LYS 58 HG2 LYS 58 -3.024 1.807 -60.220 437 HG3 LYS 58 HG1 LYS 58 -3.040 2.616 -61.787 438 HD2 LYS 58 HD2 LYS 58 -4.546 0.788 -62.637 439 HD3 LYS 58 HD1 LYS 58 -4.637 0.167 -60.988 440 HE2 LYS 58 HE2 LYS 58 -5.352 3.015 -61.724 441 HE3 LYS 58 HE1 LYS 58 -6.537 1.711 -61.648 442 HZ1 LYS 58 HZ1 LYS 58 -4.753 2.087 -59.360 443 HZ2 LYS 58 HZ2 LYS 58 -6.364 1.551 -59.402 444 HZ3 LYS 58 HZ3 LYS 58 -6.011 3.204 -59.572 445 H ARG 59 HN ARG 59 0.609 -0.825 -60.555 446 HA ARG 59 HA ARG 59 1.088 -2.518 -62.788 447 HB2 ARG 59 HB2 ARG 59 2.764 -1.038 -61.530 448 HB3 ARG 59 HB1 ARG 59 2.847 -2.343 -60.346 449 HG2 ARG 59 HG2 ARG 59 3.080 -3.206 -63.163 450 HG3 ARG 59 HG1 ARG 59 4.415 -2.214 -62.577 451 HD2 ARG 59 HD2 ARG 59 4.562 -3.743 -60.576 452 HD3 ARG 59 HD1 ARG 59 3.384 -4.790 -61.363 453 HE ARG 59 HE ARG 59 5.357 -4.444 -63.243 454 HH11 ARG 59 HH11 ARG 59 5.238 -5.535 -59.933 455 HH12 ARG 59 HH12 ARG 59 6.587 -6.602 -60.111 456 HH21 ARG 59 HH21 ARG 59 7.117 -5.846 -63.447 457 HH22 ARG 59 HH22 ARG 59 7.646 -6.779 -62.087 458 H GLU 60 HN GLU 60 0.278 -3.109 -59.428 459 HA GLU 60 HA GLU 60 0.295 -6.014 -59.994 460 HB2 GLU 60 HB2 GLU 60 0.910 -4.600 -57.390 461 HB3 GLU 60 HB1 GLU 60 0.756 -6.347 -57.577 462 HG2 GLU 60 HG2 GLU 60 2.618 -4.883 -59.405 463 HG3 GLU 60 HG1 GLU 60 3.130 -5.167 -57.742 464 HA PRO 61 HA PRO 61 -4.013 -4.611 -58.912 465 HB2 PRO 61 HB2 PRO 61 -5.233 -6.056 -60.896 466 HB3 PRO 61 HB1 PRO 61 -4.633 -4.401 -61.113 467 HG2 PRO 61 HG2 PRO 61 -3.402 -6.984 -61.927 468 HG3 PRO 61 HG1 PRO 61 -3.438 -5.430 -62.778 469 HD2 PRO 61 HD2 PRO 61 -1.245 -6.318 -61.401 470 HD3 PRO 61 HD1 PRO 61 -1.624 -4.595 -61.613 471 H LEU 62 HN LEU 62 -2.278 -7.529 -58.997 472 HA LEU 62 HA LEU 62 -4.307 -9.409 -58.398 473 HB2 LEU 62 HB2 LEU 62 -1.902 -9.889 -59.098 474 HB3 LEU 62 HB1 LEU 62 -1.452 -9.554 -57.426 475 HG LEU 62 HG LEU 62 -3.744 -11.381 -57.704 476 HD11 LEU 62 HD11 LEU 62 -2.560 -12.238 -59.605 477 HD12 LEU 62 HD12 LEU 62 -2.175 -13.310 -58.258 478 HD13 LEU 62 HD13 LEU 62 -1.007 -12.097 -58.782 479 HD21 LEU 62 HD21 LEU 62 -2.277 -12.658 -56.054 480 HD22 LEU 62 HD22 LEU 62 -2.747 -11.036 -55.546 481 HD23 LEU 62 HD23 LEU 62 -1.127 -11.327 -56.178 482 H ASN 63 HN ASN 63 -2.240 -7.381 -56.354 483 HA ASN 63 HA ASN 63 -2.994 -8.394 -53.854 484 HB2 ASN 63 HB2 ASN 63 -2.000 -6.497 -52.929 485 HB3 ASN 63 HB1 ASN 63 -1.183 -6.637 -54.484 486 HD21 ASN 63 HD21 ASN 63 -2.399 -4.312 -52.555 487 HD22 ASN 63 HD22 ASN 63 -2.984 -3.219 -53.715 488 H TYR 64 HN TYR 64 -4.616 -6.159 -56.015 489 HA TYR 64 HA TYR 64 -6.604 -5.374 -54.062 490 HB2 TYR 64 HB2 TYR 64 -5.934 -3.836 -55.864 491 HB3 TYR 64 HB1 TYR 64 -6.534 -4.982 -57.064 492 HD1 TYR 64 HD1 TYR 64 -7.532 -2.796 -54.229 493 HD2 TYR 64 HD2 TYR 64 -8.869 -5.171 -57.549 494 HE1 TYR 64 HE1 TYR 64 -9.816 -1.865 -53.975 495 HE2 TYR 64 HE2 TYR 64 -11.153 -4.239 -57.295 496 HH TYR 64 HH TYR 64 -12.175 -2.598 -54.565 497 H LEU 65 HN LEU 65 -6.484 -7.520 -56.893 498 HA LEU 65 HA LEU 65 -9.222 -8.312 -56.680 499 HB2 LEU 65 HB2 LEU 65 -6.859 -9.516 -58.133 500 HB3 LEU 65 HB1 LEU 65 -8.502 -10.140 -58.263 501 HG LEU 65 HG LEU 65 -7.932 -7.225 -58.763 502 HD11 LEU 65 HD11 LEU 65 -7.849 -7.896 -61.221 503 HD12 LEU 65 HD12 LEU 65 -7.598 -9.553 -60.671 504 HD13 LEU 65 HD13 LEU 65 -6.417 -8.304 -60.276 505 HD21 LEU 65 HD21 LEU 65 -9.995 -7.322 -59.989 506 HD22 LEU 65 HD22 LEU 65 -10.279 -8.193 -58.483 507 HD23 LEU 65 HD23 LEU 65 -9.994 -9.086 -59.977 508 HA PRO 66 HA PRO 66 -9.247 -11.426 -53.571 509 HB2 PRO 66 HB2 PRO 66 -10.193 -13.394 -55.604 510 HB3 PRO 66 HB1 PRO 66 -10.916 -12.941 -54.049 511 HG2 PRO 66 HG2 PRO 66 -11.943 -12.098 -56.353 512 HG3 PRO 66 HG1 PRO 66 -11.927 -11.069 -54.910 513 HD2 PRO 66 HD2 PRO 66 -10.218 -10.907 -57.356 514 HD3 PRO 66 HD1 PRO 66 -10.807 -9.604 -56.299 515 H LEU 67 HN LEU 67 -7.791 -12.852 -52.724 516 HA LEU 67 HA LEU 67 -5.812 -14.017 -54.584 517 HB2 LEU 67 HB2 LEU 67 -5.404 -12.370 -52.394 518 HB3 LEU 67 HB1 LEU 67 -5.070 -13.982 -51.760 519 HG LEU 67 HG LEU 67 -3.891 -12.924 -54.341 520 HD11 LEU 67 HD11 LEU 67 -2.528 -13.167 -51.646 521 HD12 LEU 67 HD12 LEU 67 -3.180 -11.651 -52.267 522 HD13 LEU 67 HD13 LEU 67 -1.867 -12.461 -53.121 523 HD21 LEU 67 HD21 LEU 67 -4.050 -15.395 -54.088 524 HD22 LEU 67 HD22 LEU 67 -3.156 -15.279 -52.572 525 HD23 LEU 67 HD23 LEU 67 -2.377 -14.840 -54.092
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