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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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617292 |
5ghc ![]() ![]() |
36007 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 9.487 10.022 16.605 2 HA MET 1 HA MET 1 10.724 11.752 17.527 3 HB2 MET 1 HB2 MET 1 11.996 10.350 19.130 4 HB3 MET 1 HB3 MET 1 13.018 9.796 17.816 5 HG2 MET 1 HG2 MET 1 14.134 11.520 19.098 6 HG3 MET 1 HG3 MET 1 13.802 12.090 17.463 7 HE1 MET 1 HE1 MET 1 13.479 15.358 19.587 8 HE2 MET 1 HE2 MET 1 14.258 14.591 18.206 9 HE3 MET 1 HE3 MET 1 14.617 14.036 19.840 10 H ALA 2 H ALA 2 13.559 10.216 16.101 11 HA ALA 2 HA ALA 2 13.476 12.109 13.960 12 HB1 ALA 2 HB1 ALA 2 15.418 9.861 14.471 13 HB2 ALA 2 HB2 ALA 2 15.575 11.511 15.074 14 HB3 ALA 2 HB3 ALA 2 15.646 11.194 13.340 15 H ASP 3 H ASP 3 12.142 9.138 14.389 16 HA ASP 3 HA ASP 3 12.349 8.177 11.672 17 HB2 ASP 3 HB2 ASP 3 10.760 6.417 12.482 18 HB3 ASP 3 HB3 ASP 3 12.239 6.528 13.429 19 H GLU 4 H GLU 4 10.663 10.596 13.068 20 HA GLU 4 HA GLU 4 8.572 10.448 11.031 21 HB2 GLU 4 HB2 GLU 4 6.908 11.294 12.652 22 HB3 GLU 4 HB3 GLU 4 7.507 9.691 13.056 23 HG2 GLU 4 HG2 GLU 4 9.088 10.796 14.650 24 HG3 GLU 4 HG3 GLU 4 8.229 12.303 14.343 25 H LYS 5 H LYS 5 10.636 12.354 13.057 26 HA LYS 5 HA LYS 5 10.132 14.665 11.367 27 HB2 LYS 5 HB2 LYS 5 8.847 15.137 13.349 28 HB3 LYS 5 HB3 LYS 5 10.164 14.626 14.393 29 HG2 LYS 5 HG2 LYS 5 11.503 16.544 13.599 30 HG3 LYS 5 HG3 LYS 5 10.130 17.068 12.624 31 HD2 LYS 5 HD2 LYS 5 8.802 17.462 14.569 32 HD3 LYS 5 HD3 LYS 5 9.997 16.685 15.608 33 HE2 LYS 5 HE2 LYS 5 10.117 19.111 15.807 34 HE3 LYS 5 HE3 LYS 5 11.598 18.466 15.105 35 HZ1 LYS 5 HZ1 LYS 5 10.729 19.084 12.910 36 HZ2 LYS 5 HZ2 LYS 5 10.920 20.427 13.919 37 HZ3 LYS 5 HZ3 LYS 5 9.378 19.790 13.639 38 HA PRO 6 HA PRO 6 14.598 14.432 11.235 39 HB2 PRO 6 HB2 PRO 6 14.479 17.187 10.249 40 HB3 PRO 6 HB3 PRO 6 15.094 15.744 9.446 41 HG2 PRO 6 HG2 PRO 6 12.793 16.997 8.743 42 HG3 PRO 6 HG3 PRO 6 13.065 15.262 8.500 43 HD2 PRO 6 HD2 PRO 6 11.404 16.653 10.544 44 HD3 PRO 6 HD3 PRO 6 11.189 15.063 9.792 45 H LYS 7 H LYS 7 16.435 15.839 11.981 46 HA LYS 7 HA LYS 7 15.965 16.822 14.597 47 HB2 LYS 7 HB2 LYS 7 18.304 17.243 14.731 48 HB3 LYS 7 HB3 LYS 7 18.116 15.770 13.801 49 HG2 LYS 7 HG2 LYS 7 18.460 18.444 12.471 50 HG3 LYS 7 HG3 LYS 7 19.842 17.486 12.997 51 HD2 LYS 7 HD2 LYS 7 17.708 16.545 11.070 52 HD3 LYS 7 HD3 LYS 7 19.271 17.195 10.603 53 HE2 LYS 7 HE2 LYS 7 18.850 14.733 12.296 54 HE3 LYS 7 HE3 LYS 7 19.240 14.733 10.578 55 HZ1 LYS 7 HZ1 LYS 7 21.333 15.819 11.080 56 HZ2 LYS 7 HZ2 LYS 7 21.202 14.381 11.954 57 HZ3 LYS 7 HZ3 LYS 7 20.958 15.856 12.726 58 H GLU 8 H GLU 8 15.308 18.238 11.694 59 HA GLU 8 HA GLU 8 16.282 20.863 12.038 60 HB2 GLU 8 HB2 GLU 8 13.891 19.921 10.452 61 HB3 GLU 8 HB3 GLU 8 14.695 21.475 10.280 62 HG2 GLU 8 HG2 GLU 8 16.755 20.295 9.612 63 HG3 GLU 8 HG3 GLU 8 15.870 18.771 9.688 64 H GLY 9 H GLY 9 14.798 22.801 12.297 65 HA2 GLY 9 HA2 GLY 9 13.272 22.336 14.732 66 HA3 GLY 9 HA3 GLY 9 13.831 23.889 14.123 67 H VAL 10 H VAL 10 12.828 24.469 11.923 68 HA VAL 10 HA VAL 10 9.939 24.140 12.251 69 HB VAL 10 HB VAL 10 11.384 26.123 10.493 70 HG11 VAL 10 HG11 VAL 10 9.086 25.630 9.817 71 HG12 VAL 10 HG12 VAL 10 9.235 27.277 10.427 72 HG13 VAL 10 HG13 VAL 10 8.522 26.023 11.440 73 HG21 VAL 10 HG21 VAL 10 10.883 27.786 12.231 74 HG22 VAL 10 HG22 VAL 10 11.958 26.523 12.827 75 HG23 VAL 10 HG23 VAL 10 10.252 26.505 13.265 76 H LYS 11 H LYS 11 9.171 22.474 11.139 77 HA LYS 11 HA LYS 11 9.432 22.545 8.276 78 HB2 LYS 11 HB2 LYS 11 10.522 20.282 9.908 79 HB3 LYS 11 HB3 LYS 11 9.744 19.914 8.377 80 HG2 LYS 11 HG2 LYS 11 12.134 21.715 8.778 81 HG3 LYS 11 HG3 LYS 11 12.143 20.094 8.080 82 HD2 LYS 11 HD2 LYS 11 10.706 20.893 6.242 83 HD3 LYS 11 HD3 LYS 11 10.731 22.512 6.934 84 HE2 LYS 11 HE2 LYS 11 12.321 22.452 5.159 85 HE3 LYS 11 HE3 LYS 11 13.206 22.514 6.681 86 HZ1 LYS 11 HZ1 LYS 11 14.128 20.928 5.072 87 HZ2 LYS 11 HZ2 LYS 11 12.695 20.033 5.132 88 HZ3 LYS 11 HZ3 LYS 11 13.664 20.179 6.517 89 H THR 12 H THR 12 7.747 21.621 7.235 90 HA THR 12 HA THR 12 5.690 20.282 8.737 91 HB THR 12 HB THR 12 5.202 22.626 9.294 92 HG1 THR 12 HG1 THR 12 3.032 22.516 8.752 93 HG21 THR 12 HG21 THR 12 6.122 23.710 7.298 94 HG22 THR 12 HG22 THR 12 4.442 24.183 7.545 95 HG23 THR 12 HG23 THR 12 4.849 22.992 6.311 96 H GLU 13 H GLU 13 3.900 19.576 7.392 97 HA GLU 13 HA GLU 13 4.432 19.601 4.511 98 HB2 GLU 13 HB2 GLU 13 4.020 17.251 6.299 99 HB3 GLU 13 HB3 GLU 13 3.472 17.194 4.633 100 HG2 GLU 13 HG2 GLU 13 6.301 17.838 5.418 101 HG3 GLU 13 HG3 GLU 13 5.745 16.201 5.066 102 H ASN 14 H ASN 14 2.698 21.296 4.741 103 HA ASN 14 HA ASN 14 0.071 20.282 5.340 104 HB2 ASN 14 HB2 ASN 14 0.965 22.977 4.290 105 HB3 ASN 14 HB3 ASN 14 -0.659 22.580 4.834 106 HD21 ASN 14 HD21 ASN 14 0.407 20.905 7.027 107 HD22 ASN 14 HD22 ASN 14 0.930 22.031 8.230 108 H ASN 15 H ASN 15 1.949 19.610 2.996 109 HA ASN 15 HA ASN 15 0.730 20.312 0.586 110 HB2 ASN 15 HB2 ASN 15 2.356 17.883 1.363 111 HB3 ASN 15 HB3 ASN 15 1.899 18.273 -0.292 112 HD21 ASN 15 HD21 ASN 15 4.518 18.108 1.217 113 HD22 ASN 15 HD22 ASN 15 5.306 19.591 0.828 114 H ASP 16 H ASP 16 -0.188 18.530 -0.827 115 HA ASP 16 HA ASP 16 -2.568 17.600 0.576 116 HB2 ASP 16 HB2 ASP 16 -2.856 18.740 -1.615 117 HB3 ASP 16 HB3 ASP 16 -1.993 17.412 -2.389 118 H HIS 17 H HIS 17 -1.865 15.960 1.770 119 HA HIS 17 HA HIS 17 -0.742 13.684 0.317 120 HB2 HIS 17 HB2 HIS 17 0.325 12.935 2.347 121 HB3 HIS 17 HB3 HIS 17 0.734 14.625 2.117 122 HD1 HIS 17 HD1 HIS 17 -0.255 16.327 3.844 123 HD2 HIS 17 HD2 HIS 17 -1.196 12.348 4.585 124 HE1 HIS 17 HE1 HIS 17 -1.121 16.274 6.200 125 HE2 HIS 17 HE2 HIS 17 -1.978 13.925 6.484 126 H ILE 18 H ILE 18 -1.757 11.777 0.377 127 HA ILE 18 HA ILE 18 -4.304 11.785 1.811 128 HB ILE 18 HB ILE 18 -5.195 10.384 -0.044 129 HG12 ILE 18 HG12 ILE 18 -2.694 11.226 -1.515 130 HG13 ILE 18 HG13 ILE 18 -2.955 9.616 -0.854 131 HG21 ILE 18 HG21 ILE 18 -5.641 12.790 0.046 132 HG22 ILE 18 HG22 ILE 18 -5.509 12.223 -1.620 133 HG23 ILE 18 HG23 ILE 18 -4.170 13.096 -0.880 134 HD11 ILE 18 HD11 ILE 18 -4.898 9.351 -2.321 135 HD12 ILE 18 HD12 ILE 18 -3.415 9.650 -3.222 136 HD13 ILE 18 HD13 ILE 18 -4.590 10.950 -3.004 137 H ASN 19 H ASN 19 -5.154 9.658 2.237 138 HA ASN 19 HA ASN 19 -3.046 7.796 3.033 139 HB2 ASN 19 HB2 ASN 19 -4.517 8.523 4.837 140 HB3 ASN 19 HB3 ASN 19 -5.937 8.085 3.899 141 HD21 ASN 19 HD21 ASN 19 -3.318 6.921 5.840 142 HD22 ASN 19 HD22 ASN 19 -3.907 5.310 6.027 143 H LEU 20 H LEU 20 -2.901 5.847 2.097 144 HA LEU 20 HA LEU 20 -5.149 5.025 0.400 145 HB2 LEU 20 HB2 LEU 20 -2.201 4.740 -0.161 146 HB3 LEU 20 HB3 LEU 20 -3.414 3.802 -0.999 147 HG LEU 20 HG LEU 20 -2.910 5.545 -2.468 148 HD11 LEU 20 HD11 LEU 20 -5.323 6.522 -0.964 149 HD12 LEU 20 HD12 LEU 20 -5.318 5.222 -2.153 150 HD13 LEU 20 HD13 LEU 20 -4.908 6.865 -2.643 151 HD21 LEU 20 HD21 LEU 20 -3.127 7.478 -0.176 152 HD22 LEU 20 HD22 LEU 20 -2.738 7.875 -1.854 153 HD23 LEU 20 HD23 LEU 20 -1.623 6.901 -0.896 154 H LYS 21 H LYS 21 -5.887 3.053 0.673 155 HA LYS 21 HA LYS 21 -4.388 1.327 2.511 156 HB2 LYS 21 HB2 LYS 21 -7.365 1.500 2.099 157 HB3 LYS 21 HB3 LYS 21 -6.541 0.420 3.214 158 HG2 LYS 21 HG2 LYS 21 -5.669 2.388 4.421 159 HG3 LYS 21 HG3 LYS 21 -6.609 3.419 3.343 160 HD2 LYS 21 HD2 LYS 21 -7.799 1.266 5.082 161 HD3 LYS 21 HD3 LYS 21 -7.735 2.978 5.507 162 HE2 LYS 21 HE2 LYS 21 -9.126 3.571 3.659 163 HE3 LYS 21 HE3 LYS 21 -9.037 1.948 2.984 164 HZ1 LYS 21 HZ1 LYS 21 -10.301 1.123 4.840 165 HZ2 LYS 21 HZ2 LYS 21 -11.144 2.384 4.101 166 HZ3 LYS 21 HZ3 LYS 21 -10.332 2.652 5.559 167 H VAL 22 H VAL 22 -4.317 -0.832 1.999 168 HA VAL 22 HA VAL 22 -5.216 -1.480 -0.721 169 HB VAL 22 HB VAL 22 -2.597 -2.297 0.496 170 HG11 VAL 22 HG11 VAL 22 -3.652 -2.902 -2.206 171 HG12 VAL 22 HG12 VAL 22 -3.550 -4.025 -0.853 172 HG13 VAL 22 HG13 VAL 22 -2.077 -3.360 -1.558 173 HG21 VAL 22 HG21 VAL 22 -1.467 -0.896 -0.905 174 HG22 VAL 22 HG22 VAL 22 -2.820 0.078 -0.321 175 HG23 VAL 22 HG23 VAL 22 -2.872 -0.648 -1.931 176 H ALA 23 H ALA 23 -6.173 -3.440 -0.971 177 HA ALA 23 HA ALA 23 -6.334 -5.123 1.437 178 HB1 ALA 23 HB1 ALA 23 -8.448 -3.964 0.976 179 HB2 ALA 23 HB2 ALA 23 -8.606 -5.711 0.789 180 HB3 ALA 23 HB3 ALA 23 -8.481 -4.679 -0.636 181 H GLY 24 H GLY 24 -5.752 -7.161 1.206 182 HA2 GLY 24 HA2 GLY 24 -5.139 -8.130 -1.484 183 HA3 GLY 24 HA3 GLY 24 -4.465 -8.761 0.013 184 H GLN 25 H GLN 25 -5.253 -10.636 -1.522 185 HA GLN 25 HA GLN 25 -7.950 -11.352 -1.650 186 HB2 GLN 25 HB2 GLN 25 -5.651 -13.285 -1.418 187 HB3 GLN 25 HB3 GLN 25 -7.188 -13.539 -2.228 188 HG2 GLN 25 HG2 GLN 25 -5.788 -13.174 -4.011 189 HG3 GLN 25 HG3 GLN 25 -6.422 -11.554 -3.695 190 HE21 GLN 25 HE21 GLN 25 -5.068 -9.948 -3.222 191 HE22 GLN 25 HE22 GLN 25 -3.354 -10.131 -3.037 192 H ASP 26 H ASP 26 -5.570 -11.711 0.821 193 HA ASP 26 HA ASP 26 -6.971 -13.580 2.448 194 HB2 ASP 26 HB2 ASP 26 -4.573 -13.361 2.667 195 HB3 ASP 26 HB3 ASP 26 -4.723 -11.657 3.080 196 H GLY 27 H GLY 27 -7.469 -10.275 1.849 197 HA2 GLY 27 HA2 GLY 27 -9.151 -8.944 2.758 198 HA3 GLY 27 HA3 GLY 27 -9.312 -10.088 4.087 199 H SER 28 H SER 28 -6.105 -9.460 3.582 200 HA SER 28 HA SER 28 -5.902 -7.901 5.972 201 HB2 SER 28 HB2 SER 28 -4.352 -9.789 5.276 202 HB3 SER 28 HB3 SER 28 -3.707 -8.697 4.055 203 HG SER 28 HG SER 28 -2.484 -7.945 5.548 204 H VAL 29 H VAL 29 -5.764 -5.750 6.033 205 HA VAL 29 HA VAL 29 -5.200 -4.316 3.518 206 HB VAL 29 HB VAL 29 -6.939 -3.334 5.762 207 HG11 VAL 29 HG11 VAL 29 -7.702 -1.650 4.154 208 HG12 VAL 29 HG12 VAL 29 -6.536 -2.268 2.983 209 HG13 VAL 29 HG13 VAL 29 -5.973 -1.537 4.486 210 HG21 VAL 29 HG21 VAL 29 -7.788 -4.575 3.151 211 HG22 VAL 29 HG22 VAL 29 -8.872 -3.777 4.289 212 HG23 VAL 29 HG23 VAL 29 -8.027 -5.250 4.762 213 H VAL 30 H VAL 30 -3.771 -2.675 3.578 214 HA VAL 30 HA VAL 30 -2.587 -1.960 6.195 215 HB VAL 30 HB VAL 30 -1.049 -1.910 3.600 216 HG11 VAL 30 HG11 VAL 30 0.896 -1.837 5.065 217 HG12 VAL 30 HG12 VAL 30 -0.155 -1.925 6.478 218 HG13 VAL 30 HG13 VAL 30 -0.214 -0.514 5.424 219 HG21 VAL 30 HG21 VAL 30 -1.104 -4.142 5.632 220 HG22 VAL 30 HG22 VAL 30 0.007 -4.016 4.265 221 HG23 VAL 30 HG23 VAL 30 -1.719 -4.214 3.979 222 H GLN 31 H GLN 31 -2.393 0.227 6.590 223 HA GLN 31 HA GLN 31 -3.432 1.979 4.479 224 HB2 GLN 31 HB2 GLN 31 -3.168 2.651 7.416 225 HB3 GLN 31 HB3 GLN 31 -4.051 3.551 6.199 226 HG2 GLN 31 HG2 GLN 31 -5.778 2.501 7.263 227 HG3 GLN 31 HG3 GLN 31 -5.419 1.320 6.007 228 HE21 GLN 31 HE21 GLN 31 -4.631 -0.659 6.559 229 HE22 GLN 31 HE22 GLN 31 -4.454 -1.199 8.188 230 H PHE 32 H PHE 32 -2.345 3.835 3.850 231 HA PHE 32 HA PHE 32 0.330 4.293 5.012 232 HB2 PHE 32 HB2 PHE 32 -0.180 4.330 2.038 233 HB3 PHE 32 HB3 PHE 32 1.365 4.405 2.866 234 HD1 PHE 32 HD1 PHE 32 -1.462 2.198 1.992 235 HD2 PHE 32 HD2 PHE 32 2.523 2.433 3.480 236 HE1 PHE 32 HE1 PHE 32 -1.229 -0.227 1.739 237 HE2 PHE 32 HE2 PHE 32 2.758 -0.004 3.232 238 HZ PHE 32 HZ PHE 32 0.873 -1.333 2.360 239 HH31 ALY 33 HH31 ALY 33 -5.069 13.895 5.241 240 HH32 ALY 33 HH32 ALY 33 -5.852 12.302 5.252 241 HH33 ALY 33 HH33 ALY 33 -4.477 12.625 4.179 242 HZ ALY 33 HZ ALY 33 -4.443 10.450 6.254 243 HE3 ALY 33 HE3 ALY 33 -1.621 11.066 5.994 244 HE2 ALY 33 HE2 ALY 33 -2.193 10.677 7.615 245 HD3 ALY 33 HD3 ALY 33 -3.060 8.530 6.764 246 HD2 ALY 33 HD2 ALY 33 -2.416 8.939 5.171 247 HG3 ALY 33 HG3 ALY 33 -0.675 8.809 7.619 248 HG2 ALY 33 HG2 ALY 33 -1.003 7.395 6.619 249 HB3 ALY 33 HB3 ALY 33 0.115 9.968 5.542 250 HB2 ALY 33 HB2 ALY 33 1.122 8.649 6.115 251 HCA ALY 33 HCA ALY 33 -0.873 8.424 3.846 252 H ALY 33 H ALY 33 1.117 6.436 4.756 253 H ILE 34 H ILE 34 -0.126 9.029 1.861 254 HA ILE 34 HA ILE 34 2.674 9.942 1.714 255 HB ILE 34 HB ILE 34 2.956 9.023 -0.512 256 HG12 ILE 34 HG12 ILE 34 0.235 7.737 -0.214 257 HG13 ILE 34 HG13 ILE 34 0.527 9.202 -1.145 258 HG21 ILE 34 HG21 ILE 34 1.937 6.930 1.406 259 HG22 ILE 34 HG22 ILE 34 3.574 7.584 1.350 260 HG23 ILE 34 HG23 ILE 34 2.965 6.620 0.003 261 HD11 ILE 34 HD11 ILE 34 0.412 7.171 -2.527 262 HD12 ILE 34 HD12 ILE 34 1.830 6.544 -1.677 263 HD13 ILE 34 HD13 ILE 34 1.961 8.004 -2.657 264 H LYS 35 H LYS 35 3.033 11.368 -0.259 265 HA LYS 35 HA LYS 35 0.889 13.270 -0.380 266 HB2 LYS 35 HB2 LYS 35 3.653 13.261 -1.576 267 HB3 LYS 35 HB3 LYS 35 2.480 14.518 -1.936 268 HG2 LYS 35 HG2 LYS 35 3.743 15.437 -0.234 269 HG3 LYS 35 HG3 LYS 35 2.331 14.812 0.613 270 HD2 LYS 35 HD2 LYS 35 4.047 14.067 1.955 271 HD3 LYS 35 HD3 LYS 35 3.790 12.688 0.879 272 HE2 LYS 35 HE2 LYS 35 6.171 13.137 1.116 273 HE3 LYS 35 HE3 LYS 35 5.645 13.451 -0.535 274 HZ1 LYS 35 HZ1 LYS 35 7.174 15.150 0.491 275 HZ2 LYS 35 HZ2 LYS 35 5.886 15.617 1.494 276 HZ3 LYS 35 HZ3 LYS 35 5.753 15.762 -0.185 277 H ARG 36 H ARG 36 -0.077 14.035 -2.299 278 HA ARG 36 HA ARG 36 -1.051 12.027 -3.998 279 HB2 ARG 36 HB2 ARG 36 -2.057 13.883 -5.236 280 HB3 ARG 36 HB3 ARG 36 -2.306 14.009 -3.505 281 HG2 ARG 36 HG2 ARG 36 -0.781 15.754 -3.277 282 HG3 ARG 36 HG3 ARG 36 -0.036 15.422 -4.842 283 HD2 ARG 36 HD2 ARG 36 -2.003 16.104 -5.960 284 HD3 ARG 36 HD3 ARG 36 -2.844 16.393 -4.435 285 HE ARG 36 HE ARG 36 -0.410 17.892 -4.674 286 HH11 ARG 36 HH11 ARG 36 -3.813 17.855 -5.516 287 HH12 ARG 36 HH12 ARG 36 -3.936 19.573 -5.671 288 HH21 ARG 36 HH21 ARG 36 -0.561 20.184 -4.873 289 HH22 ARG 36 HH22 ARG 36 -2.068 20.913 -5.303 290 H HIS 37 H HIS 37 1.870 13.831 -4.154 291 HA HIS 37 HA HIS 37 2.077 13.400 -7.054 292 HB2 HIS 37 HB2 HIS 37 2.342 15.735 -6.183 293 HB3 HIS 37 HB3 HIS 37 3.728 15.188 -5.259 294 HD1 HIS 37 HD1 HIS 37 2.612 15.699 -8.839 295 HD2 HIS 37 HD2 HIS 37 6.110 15.136 -6.672 296 HE1 HIS 37 HE1 HIS 37 4.478 16.128 -10.455 297 HE2 HIS 37 HE2 HIS 37 6.565 16.022 -9.052 298 H THR 38 H THR 38 2.776 12.083 -4.190 299 HA THR 38 HA THR 38 5.446 11.155 -4.728 300 HB THR 38 HB THR 38 3.516 11.080 -2.471 301 HG1 THR 38 HG1 THR 38 5.541 12.474 -2.940 302 HG21 THR 38 HG21 THR 38 4.853 9.400 -1.256 303 HG22 THR 38 HG22 THR 38 5.794 9.103 -2.723 304 HG23 THR 38 HG23 THR 38 4.070 8.719 -2.684 305 HA PRO 39 HA PRO 39 4.030 7.646 -7.043 306 HB2 PRO 39 HB2 PRO 39 6.210 6.015 -6.572 307 HB3 PRO 39 HB3 PRO 39 6.140 7.265 -7.816 308 HG2 PRO 39 HG2 PRO 39 7.363 7.366 -5.097 309 HG3 PRO 39 HG3 PRO 39 7.960 8.043 -6.622 310 HD2 PRO 39 HD2 PRO 39 6.789 9.568 -4.749 311 HD3 PRO 39 HD3 PRO 39 6.578 9.892 -6.483 312 H LEU 40 H LEU 40 2.521 6.313 -6.361 313 HA LEU 40 HA LEU 40 2.254 5.397 -3.717 314 HB2 LEU 40 HB2 LEU 40 0.533 3.804 -4.798 315 HB3 LEU 40 HB3 LEU 40 0.237 5.529 -4.823 316 HG LEU 40 HG LEU 40 1.069 5.579 -7.185 317 HD11 LEU 40 HD11 LEU 40 2.439 3.575 -7.180 318 HD12 LEU 40 HD12 LEU 40 1.196 3.477 -8.425 319 HD13 LEU 40 HD13 LEU 40 1.007 2.580 -6.918 320 HD21 LEU 40 HD21 LEU 40 -0.954 4.596 -8.141 321 HD22 LEU 40 HD22 LEU 40 -1.307 5.522 -6.683 322 HD23 LEU 40 HD23 LEU 40 -1.264 3.759 -6.621 323 H SER 41 H SER 41 4.123 4.278 -6.282 324 HA SER 41 HA SER 41 4.336 1.569 -6.047 325 HB2 SER 41 HB2 SER 41 6.836 3.120 -6.292 326 HB3 SER 41 HB3 SER 41 6.171 1.868 -7.349 327 HG SER 41 HG SER 41 5.999 3.827 -8.424 328 H LYS 42 H LYS 42 5.675 4.070 -3.985 329 HA LYS 42 HA LYS 42 7.502 2.566 -2.500 330 HB2 LYS 42 HB2 LYS 42 5.799 4.869 -1.555 331 HB3 LYS 42 HB3 LYS 42 7.274 4.302 -0.804 332 HG2 LYS 42 HG2 LYS 42 8.475 4.878 -2.912 333 HG3 LYS 42 HG3 LYS 42 6.978 5.615 -3.482 334 HD2 LYS 42 HD2 LYS 42 8.158 7.414 -2.587 335 HD3 LYS 42 HD3 LYS 42 7.058 6.962 -1.286 336 HE2 LYS 42 HE2 LYS 42 9.839 5.860 -1.444 337 HE3 LYS 42 HE3 LYS 42 9.522 7.426 -0.702 338 HZ1 LYS 42 HZ1 LYS 42 8.450 4.786 0.169 339 HZ2 LYS 42 HZ2 LYS 42 8.005 6.272 0.846 340 HZ3 LYS 42 HZ3 LYS 42 9.590 5.735 0.968 341 H LEU 43 H LEU 43 4.123 3.348 -1.826 342 HA LEU 43 HA LEU 43 3.978 1.747 0.511 343 HB2 LEU 43 HB2 LEU 43 1.693 2.290 0.628 344 HB3 LEU 43 HB3 LEU 43 2.461 3.699 -0.065 345 HG LEU 43 HG LEU 43 1.703 2.598 -2.340 346 HD11 LEU 43 HD11 LEU 43 -0.315 1.475 -0.402 347 HD12 LEU 43 HD12 LEU 43 0.847 0.536 -1.334 348 HD13 LEU 43 HD13 LEU 43 -0.429 1.431 -2.162 349 HD21 LEU 43 HD21 LEU 43 -0.166 4.033 -0.460 350 HD22 LEU 43 HD22 LEU 43 -0.388 3.886 -2.205 351 HD23 LEU 43 HD23 LEU 43 0.991 4.777 -1.564 352 H MET 44 H MET 44 3.335 1.138 -2.888 353 HA MET 44 HA MET 44 1.953 -1.285 -2.559 354 HB2 MET 44 HB2 MET 44 3.667 -0.366 -4.867 355 HB3 MET 44 HB3 MET 44 2.650 -1.799 -4.900 356 HG2 MET 44 HG2 MET 44 0.731 -0.194 -4.320 357 HG3 MET 44 HG3 MET 44 1.842 1.077 -4.825 358 HE1 MET 44 HE1 MET 44 2.600 -0.176 -8.539 359 HE2 MET 44 HE2 MET 44 3.476 -0.569 -7.059 360 HE3 MET 44 HE3 MET 44 2.959 1.091 -7.371 361 H LYS 45 H LYS 45 5.399 -0.691 -3.192 362 HA LYS 45 HA LYS 45 6.101 -3.405 -2.991 363 HB2 LYS 45 HB2 LYS 45 7.755 -0.905 -2.727 364 HB3 LYS 45 HB3 LYS 45 8.429 -2.536 -2.773 365 HG2 LYS 45 HG2 LYS 45 7.328 -2.891 -4.946 366 HG3 LYS 45 HG3 LYS 45 6.781 -1.222 -4.911 367 HD2 LYS 45 HD2 LYS 45 9.051 -0.430 -4.980 368 HD3 LYS 45 HD3 LYS 45 9.665 -2.085 -4.853 369 HE2 LYS 45 HE2 LYS 45 8.727 -2.676 -6.964 370 HE3 LYS 45 HE3 LYS 45 7.866 -1.143 -7.069 371 HZ1 LYS 45 HZ1 LYS 45 10.805 -1.548 -7.227 372 HZ2 LYS 45 HZ2 LYS 45 10.067 -0.032 -7.122 373 HZ3 LYS 45 HZ3 LYS 45 9.771 -1.019 -8.466 374 H ALA 46 H ALA 46 5.843 -0.816 -0.637 375 HA ALA 46 HA ALA 46 7.059 -2.163 1.521 376 HB1 ALA 46 HB1 ALA 46 4.852 -0.105 1.599 377 HB2 ALA 46 HB2 ALA 46 6.578 0.249 1.520 378 HB3 ALA 46 HB3 ALA 46 5.906 -0.556 2.941 379 H TYR 47 H TYR 47 3.786 -2.158 0.219 380 HA TYR 47 HA TYR 47 2.500 -3.588 2.229 381 HB2 TYR 47 HB2 TYR 47 1.200 -2.525 0.524 382 HB3 TYR 47 HB3 TYR 47 1.983 -3.457 -0.744 383 HD1 TYR 47 HD1 TYR 47 -0.522 -3.541 1.943 384 HD2 TYR 47 HD2 TYR 47 1.304 -5.741 -1.200 385 HE1 TYR 47 HE1 TYR 47 -2.338 -5.207 2.069 386 HE2 TYR 47 HE2 TYR 47 -0.496 -7.415 -1.098 387 HH TYR 47 HH TYR 47 -2.131 -8.225 0.660 388 H CYS 48 H CYS 48 3.981 -4.844 -0.806 389 HA CYS 48 HA CYS 48 3.436 -7.529 -0.153 390 HB2 CYS 48 HB2 CYS 48 4.972 -8.082 -2.007 391 HB3 CYS 48 HB3 CYS 48 3.780 -6.873 -2.455 392 HG CYS 48 HG CYS 48 6.402 -5.239 -1.423 393 H GLU 49 H GLU 49 6.198 -5.446 0.509 394 HA GLU 49 HA GLU 49 7.975 -7.473 1.308 395 HB2 GLU 49 HB2 GLU 49 7.808 -4.541 1.923 396 HB3 GLU 49 HB3 GLU 49 9.092 -5.565 2.551 397 HG2 GLU 49 HG2 GLU 49 8.468 -5.303 -0.369 398 HG3 GLU 49 HG3 GLU 49 9.635 -4.291 0.473 399 H ARG 50 H ARG 50 5.546 -5.615 3.084 400 HA ARG 50 HA ARG 50 6.390 -6.804 5.584 401 HB2 ARG 50 HB2 ARG 50 4.802 -5.397 6.658 402 HB3 ARG 50 HB3 ARG 50 5.550 -4.434 5.396 403 HG2 ARG 50 HG2 ARG 50 3.595 -4.776 3.968 404 HG3 ARG 50 HG3 ARG 50 2.845 -5.758 5.224 405 HD2 ARG 50 HD2 ARG 50 3.395 -2.799 5.229 406 HD3 ARG 50 HD3 ARG 50 1.878 -3.644 5.477 407 HE ARG 50 HE ARG 50 4.067 -3.447 7.435 408 HH11 ARG 50 HH11 ARG 50 0.706 -4.174 6.699 409 HH12 ARG 50 HH12 ARG 50 0.211 -4.200 8.350 410 HH21 ARG 50 HH21 ARG 50 3.397 -3.478 9.637 411 HH22 ARG 50 HH22 ARG 50 1.744 -3.812 10.025 412 H GLN 51 H GLN 51 3.904 -7.307 3.180 413 HA GLN 51 HA GLN 51 2.313 -9.018 4.855 414 HB2 GLN 51 HB2 GLN 51 2.181 -8.381 1.930 415 HB3 GLN 51 HB3 GLN 51 1.022 -9.414 2.766 416 HG2 GLN 51 HG2 GLN 51 1.620 -6.565 3.436 417 HG3 GLN 51 HG3 GLN 51 0.262 -7.116 2.458 418 HE21 GLN 51 HE21 GLN 51 1.653 -7.100 5.677 419 HE22 GLN 51 HE22 GLN 51 0.200 -7.511 6.512 420 H GLY 52 H GLY 52 4.983 -9.468 2.751 421 HA2 GLY 52 HA2 GLY 52 6.181 -11.457 2.522 422 HA3 GLY 52 HA3 GLY 52 4.819 -12.325 3.226 423 H LEU 53 H LEU 53 4.853 -10.084 0.515 424 HA LEU 53 HA LEU 53 4.005 -12.282 -1.238 425 HB2 LEU 53 HB2 LEU 53 2.808 -9.560 -0.929 426 HB3 LEU 53 HB3 LEU 53 2.738 -10.372 -2.477 427 HG LEU 53 HG LEU 53 0.688 -10.704 -1.376 428 HD11 LEU 53 HD11 LEU 53 0.521 -13.122 -1.256 429 HD12 LEU 53 HD12 LEU 53 2.273 -13.248 -1.122 430 HD13 LEU 53 HD13 LEU 53 1.547 -12.632 -2.606 431 HD21 LEU 53 HD21 LEU 53 1.315 -10.250 0.896 432 HD22 LEU 53 HD22 LEU 53 2.213 -11.771 0.976 433 HD23 LEU 53 HD23 LEU 53 0.456 -11.788 0.792 434 H SER 54 H SER 54 4.424 -11.833 -3.556 435 HA SER 54 HA SER 54 6.798 -10.125 -3.863 436 HB2 SER 54 HB2 SER 54 6.041 -12.611 -5.412 437 HB3 SER 54 HB3 SER 54 7.484 -11.644 -5.665 438 HG SER 54 HG SER 54 7.602 -12.181 -3.169 439 H MET 55 H MET 55 6.971 -8.863 -5.780 440 HA MET 55 HA MET 55 4.560 -7.822 -6.791 441 HB2 MET 55 HB2 MET 55 7.438 -7.473 -7.532 442 HB3 MET 55 HB3 MET 55 6.183 -6.818 -8.581 443 HG2 MET 55 HG2 MET 55 6.549 -6.225 -5.665 444 HG3 MET 55 HG3 MET 55 6.988 -5.167 -7.010 445 HE1 MET 55 HE1 MET 55 4.994 -4.719 -4.422 446 HE2 MET 55 HE2 MET 55 3.771 -3.676 -5.149 447 HE3 MET 55 HE3 MET 55 5.480 -3.400 -5.488 448 H ARG 56 H ARG 56 6.504 -10.461 -7.815 449 HA ARG 56 HA ARG 56 5.234 -10.641 -10.405 450 HB2 ARG 56 HB2 ARG 56 6.478 -12.798 -10.612 451 HB3 ARG 56 HB3 ARG 56 7.513 -11.410 -10.311 452 HG2 ARG 56 HG2 ARG 56 6.627 -12.925 -7.940 453 HG3 ARG 56 HG3 ARG 56 7.736 -13.747 -9.037 454 HD2 ARG 56 HD2 ARG 56 8.235 -10.995 -7.928 455 HD3 ARG 56 HD3 ARG 56 8.818 -12.468 -7.159 456 HE ARG 56 HE ARG 56 9.650 -11.456 -9.796 457 HH11 ARG 56 HH11 ARG 56 10.187 -13.558 -7.025 458 HH12 ARG 56 HH12 ARG 56 11.788 -13.981 -7.505 459 HH21 ARG 56 HH21 ARG 56 11.769 -12.024 -10.423 460 HH22 ARG 56 HH22 ARG 56 12.697 -13.107 -9.445 461 H GLN 57 H GLN 57 4.577 -11.598 -7.241 462 HA GLN 57 HA GLN 57 2.873 -13.843 -7.978 463 HB2 GLN 57 HB2 GLN 57 4.195 -12.931 -5.561 464 HB3 GLN 57 HB3 GLN 57 2.536 -13.431 -5.282 465 HG2 GLN 57 HG2 GLN 57 4.354 -15.176 -5.017 466 HG3 GLN 57 HG3 GLN 57 2.947 -15.611 -5.983 467 HE21 GLN 57 HE21 GLN 57 6.261 -14.569 -6.129 468 HE22 GLN 57 HE22 GLN 57 6.606 -15.252 -7.684 469 H ILE 58 H ILE 58 2.624 -10.546 -6.933 470 HA ILE 58 HA ILE 58 -0.311 -10.829 -7.139 471 HB ILE 58 HB ILE 58 -0.709 -9.310 -5.347 472 HG12 ILE 58 HG12 ILE 58 2.296 -8.932 -5.225 473 HG13 ILE 58 HG13 ILE 58 1.095 -7.743 -5.722 474 HG21 ILE 58 HG21 ILE 58 0.194 -10.513 -3.442 475 HG22 ILE 58 HG22 ILE 58 1.416 -11.253 -4.477 476 HG23 ILE 58 HG23 ILE 58 -0.288 -11.635 -4.718 477 HD11 ILE 58 HD11 ILE 58 1.357 -8.896 -2.955 478 HD12 ILE 58 HD12 ILE 58 0.196 -7.676 -3.471 479 HD13 ILE 58 HD13 ILE 58 1.919 -7.307 -3.472 480 H ARG 59 H ARG 59 -1.292 -8.528 -7.146 481 HA ARG 59 HA ARG 59 0.226 -6.516 -8.518 482 HB2 ARG 59 HB2 ARG 59 -1.649 -8.260 -10.014 483 HB3 ARG 59 HB3 ARG 59 -1.767 -6.537 -10.336 484 HG2 ARG 59 HG2 ARG 59 0.738 -8.198 -10.595 485 HG3 ARG 59 HG3 ARG 59 -0.289 -7.667 -11.928 486 HD2 ARG 59 HD2 ARG 59 0.146 -5.319 -11.253 487 HD3 ARG 59 HD3 ARG 59 1.269 -5.906 -10.034 488 HE ARG 59 HE ARG 59 2.095 -7.003 -12.429 489 HH11 ARG 59 HH11 ARG 59 1.680 -3.751 -11.140 490 HH12 ARG 59 HH12 ARG 59 2.986 -3.087 -12.050 491 HH21 ARG 59 HH21 ARG 59 3.818 -6.095 -13.659 492 HH22 ARG 59 HH22 ARG 59 4.188 -4.415 -13.504 493 H PHE 60 H PHE 60 -0.683 -4.522 -8.388 494 HA PHE 60 HA PHE 60 -3.000 -4.312 -6.630 495 HB2 PHE 60 HB2 PHE 60 -0.967 -2.218 -7.457 496 HB3 PHE 60 HB3 PHE 60 -2.268 -1.973 -6.300 497 HD1 PHE 60 HD1 PHE 60 0.639 -4.222 -6.898 498 HD2 PHE 60 HD2 PHE 60 -1.783 -2.203 -4.025 499 HE1 PHE 60 HE1 PHE 60 2.125 -4.989 -5.105 500 HE2 PHE 60 HE2 PHE 60 -0.286 -2.970 -2.241 501 HZ PHE 60 HZ PHE 60 1.662 -4.363 -2.778 502 H ARG 61 H ARG 61 -4.747 -2.959 -7.174 503 HA ARG 61 HA ARG 61 -4.894 -1.941 -9.892 504 HB2 ARG 61 HB2 ARG 61 -5.559 -4.165 -10.265 505 HB3 ARG 61 HB3 ARG 61 -6.538 -4.202 -8.810 506 HG2 ARG 61 HG2 ARG 61 -7.414 -2.225 -10.774 507 HG3 ARG 61 HG3 ARG 61 -7.464 -3.892 -11.357 508 HD2 ARG 61 HD2 ARG 61 -8.563 -4.372 -9.055 509 HD3 ARG 61 HD3 ARG 61 -8.898 -2.643 -9.057 510 HE ARG 61 HE ARG 61 -9.836 -3.366 -11.445 511 HH11 ARG 61 HH11 ARG 61 -10.242 -4.934 -8.323 512 HH12 ARG 61 HH12 ARG 61 -11.876 -5.411 -8.629 513 HH21 ARG 61 HH21 ARG 61 -12.028 -4.014 -11.852 514 HH22 ARG 61 HH22 ARG 61 -12.889 -4.894 -10.643 515 H PHE 62 H PHE 62 -6.142 -0.195 -10.076 516 HA PHE 62 HA PHE 62 -8.096 0.419 -8.007 517 HB2 PHE 62 HB2 PHE 62 -5.995 1.515 -7.297 518 HB3 PHE 62 HB3 PHE 62 -5.930 2.366 -8.836 519 HD1 PHE 62 HD1 PHE 62 -7.705 2.049 -5.643 520 HD2 PHE 62 HD2 PHE 62 -7.319 4.276 -9.245 521 HE1 PHE 62 HE1 PHE 62 -9.077 3.845 -4.678 522 HE2 PHE 62 HE2 PHE 62 -8.688 6.076 -8.286 523 HZ PHE 62 HZ PHE 62 -9.567 5.865 -6.000 524 H ASP 63 H ASP 63 -9.639 1.895 -8.686 525 HA ASP 63 HA ASP 63 -11.273 2.590 -10.208 526 HB2 ASP 63 HB2 ASP 63 -9.247 4.160 -10.605 527 HB3 ASP 63 HB3 ASP 63 -9.022 3.253 -12.079 528 H GLY 64 H GLY 64 -10.072 -0.131 -10.427 529 HA2 GLY 64 HA2 GLY 64 -10.794 -1.906 -11.665 530 HA3 GLY 64 HA3 GLY 64 -11.335 -0.823 -12.934 531 H GLN 65 H GLN 65 -8.554 0.472 -12.668 532 HA GLN 65 HA GLN 65 -7.328 -1.292 -14.650 533 HB2 GLN 65 HB2 GLN 65 -5.890 0.703 -15.155 534 HB3 GLN 65 HB3 GLN 65 -7.609 0.958 -15.412 535 HG2 GLN 65 HG2 GLN 65 -7.737 2.086 -13.232 536 HG3 GLN 65 HG3 GLN 65 -5.995 1.909 -13.055 537 HE21 GLN 65 HE21 GLN 65 -5.659 4.102 -12.998 538 HE22 GLN 65 HE22 GLN 65 -5.833 5.124 -14.379 539 HA PRO 66 HA PRO 66 -4.130 -2.660 -11.935 540 HB2 PRO 66 HB2 PRO 66 -2.132 -3.140 -13.701 541 HB3 PRO 66 HB3 PRO 66 -3.570 -4.163 -13.590 542 HG2 PRO 66 HG2 PRO 66 -2.952 -1.971 -15.534 543 HG3 PRO 66 HG3 PRO 66 -3.661 -3.568 -15.835 544 HD2 PRO 66 HD2 PRO 66 -5.155 -1.312 -15.666 545 HD3 PRO 66 HD3 PRO 66 -5.761 -2.903 -15.161 546 H ILE 67 H ILE 67 -2.461 -1.839 -10.760 547 HA ILE 67 HA ILE 67 -1.502 0.830 -11.517 548 HB ILE 67 HB ILE 67 -1.072 -0.541 -8.866 549 HG12 ILE 67 HG12 ILE 67 -3.407 1.236 -9.627 550 HG13 ILE 67 HG13 ILE 67 -3.495 -0.497 -9.335 551 HG21 ILE 67 HG21 ILE 67 0.302 1.406 -9.336 552 HG22 ILE 67 HG22 ILE 67 -0.852 1.738 -8.043 553 HG23 ILE 67 HG23 ILE 67 -1.147 2.360 -9.667 554 HD11 ILE 67 HD11 ILE 67 -2.768 1.622 -7.328 555 HD12 ILE 67 HD12 ILE 67 -2.745 -0.113 -7.021 556 HD13 ILE 67 HD13 ILE 67 -4.265 0.692 -7.398 557 H ASN 68 H ASN 68 0.686 1.360 -11.545 558 HA ASN 68 HA ASN 68 2.594 -0.874 -11.413 559 HB2 ASN 68 HB2 ASN 68 3.105 1.406 -13.277 560 HB3 ASN 68 HB3 ASN 68 3.643 -0.263 -13.373 561 HD21 ASN 68 HD21 ASN 68 1.129 1.982 -14.052 562 HD22 ASN 68 HD22 ASN 68 0.226 0.965 -15.092 563 H GLU 69 H GLU 69 4.889 0.102 -11.272 564 HA GLU 69 HA GLU 69 4.901 1.939 -9.083 565 HB2 GLU 69 HB2 GLU 69 7.370 1.749 -9.205 566 HB3 GLU 69 HB3 GLU 69 6.568 0.189 -9.134 567 HG2 GLU 69 HG2 GLU 69 6.937 -0.168 -11.478 568 HG3 GLU 69 HG3 GLU 69 7.583 1.462 -11.662 569 H THR 70 H THR 70 4.702 2.363 -12.373 570 HA THR 70 HA THR 70 6.078 4.915 -12.406 571 HB THR 70 HB THR 70 5.330 4.923 -14.822 572 HG1 THR 70 HG1 THR 70 4.189 3.253 -15.566 573 HG21 THR 70 HG21 THR 70 6.932 3.165 -15.487 574 HG22 THR 70 HG22 THR 70 6.920 2.552 -13.832 575 HG23 THR 70 HG23 THR 70 7.556 4.161 -14.172 576 H ASP 71 H ASP 71 3.135 3.849 -11.438 577 HA ASP 71 HA ASP 71 1.659 6.165 -12.427 578 HB2 ASP 71 HB2 ASP 71 0.872 3.557 -11.268 579 HB3 ASP 71 HB3 ASP 71 -0.200 4.924 -11.003 580 H THR 72 H THR 72 0.788 7.723 -11.148 581 HA THR 72 HA THR 72 1.602 7.736 -8.324 582 HB THR 72 HB THR 72 1.060 10.379 -8.999 583 HG1 THR 72 HG1 THR 72 1.129 10.149 -11.163 584 HG21 THR 72 HG21 THR 72 3.720 8.944 -8.957 585 HG22 THR 72 HG22 THR 72 2.881 9.627 -7.564 586 HG23 THR 72 HG23 THR 72 3.499 10.687 -8.829 587 HA PRO 73 HA PRO 73 -2.595 7.702 -7.117 588 HB2 PRO 73 HB2 PRO 73 -2.621 9.563 -5.080 589 HB3 PRO 73 HB3 PRO 73 -2.061 7.897 -4.912 590 HG2 PRO 73 HG2 PRO 73 -0.487 10.400 -5.312 591 HG3 PRO 73 HG3 PRO 73 -0.125 8.996 -4.291 592 HD2 PRO 73 HD2 PRO 73 1.074 9.404 -6.654 593 HD3 PRO 73 HD3 PRO 73 0.704 7.768 -6.066 594 H ALA 74 H ALA 74 -1.247 10.891 -7.727 595 HA ALA 74 HA ALA 74 -3.730 12.242 -7.756 596 HB1 ALA 74 HB1 ALA 74 -1.645 13.407 -7.358 597 HB2 ALA 74 HB2 ALA 74 -2.481 14.102 -8.751 598 HB3 ALA 74 HB3 ALA 74 -1.100 13.024 -8.989 599 H GLN 75 H GLN 75 -2.094 10.316 -10.099 600 HA GLN 75 HA GLN 75 -3.311 11.397 -12.428 601 HB2 GLN 75 HB2 GLN 75 -1.720 8.992 -11.770 602 HB3 GLN 75 HB3 GLN 75 -2.760 8.870 -13.180 603 HG2 GLN 75 HG2 GLN 75 -0.498 9.543 -13.758 604 HG3 GLN 75 HG3 GLN 75 -1.683 10.772 -14.187 605 HE21 GLN 75 HE21 GLN 75 -0.126 12.386 -14.221 606 HE22 GLN 75 HE22 GLN 75 0.576 13.023 -12.775 607 H LEU 76 H LEU 76 -4.217 8.857 -10.154 608 HA LEU 76 HA LEU 76 -6.473 8.099 -11.795 609 HB2 LEU 76 HB2 LEU 76 -5.963 7.170 -8.986 610 HB3 LEU 76 HB3 LEU 76 -6.825 6.345 -10.268 611 HG LEU 76 HG LEU 76 -4.329 6.512 -11.351 612 HD11 LEU 76 HD11 LEU 76 -3.960 6.106 -8.393 613 HD12 LEU 76 HD12 LEU 76 -3.401 7.492 -9.325 614 HD13 LEU 76 HD13 LEU 76 -2.724 5.891 -9.634 615 HD21 LEU 76 HD21 LEU 76 -5.308 4.321 -9.524 616 HD22 LEU 76 HD22 LEU 76 -4.115 4.163 -10.815 617 HD23 LEU 76 HD23 LEU 76 -5.797 4.528 -11.206 618 H GLU 77 H GLU 77 -5.744 10.530 -9.709 619 HA GLU 77 HA GLU 77 -6.898 12.083 -8.532 620 HB2 GLU 77 HB2 GLU 77 -9.195 11.126 -10.249 621 HB3 GLU 77 HB3 GLU 77 -9.140 12.643 -9.362 622 HG2 GLU 77 HG2 GLU 77 -7.270 13.391 -10.728 623 HG3 GLU 77 HG3 GLU 77 -7.283 11.858 -11.597 624 H MET 78 H MET 78 -6.553 9.782 -7.190 625 HA MET 78 HA MET 78 -9.055 8.875 -6.078 626 HB2 MET 78 HB2 MET 78 -7.705 7.255 -4.888 627 HB3 MET 78 HB3 MET 78 -7.198 7.326 -6.573 628 HG2 MET 78 HG2 MET 78 -5.493 9.089 -5.549 629 HG3 MET 78 HG3 MET 78 -5.747 8.083 -4.124 630 HE1 MET 78 HE1 MET 78 -4.767 4.533 -5.619 631 HE2 MET 78 HE2 MET 78 -6.366 5.269 -5.717 632 HE3 MET 78 HE3 MET 78 -5.437 5.375 -4.221 633 H GLU 79 H GLU 79 -9.344 8.799 -3.670 634 HA GLU 79 HA GLU 79 -8.399 11.327 -2.476 635 HB2 GLU 79 HB2 GLU 79 -10.454 11.422 -1.249 636 HB3 GLU 79 HB3 GLU 79 -10.860 11.118 -2.934 637 HG2 GLU 79 HG2 GLU 79 -11.018 8.682 -2.351 638 HG3 GLU 79 HG3 GLU 79 -10.837 9.148 -0.672 639 H ASP 80 H ASP 80 -8.159 11.271 -0.042 640 HA ASP 80 HA ASP 80 -6.671 9.111 0.816 641 HB2 ASP 80 HB2 ASP 80 -6.921 10.118 3.090 642 HB3 ASP 80 HB3 ASP 80 -6.370 11.245 1.857 643 H GLU 81 H GLU 81 -7.004 7.491 2.142 644 HA GLU 81 HA GLU 81 -7.941 5.805 3.246 645 HB2 GLU 81 HB2 GLU 81 -10.373 7.582 3.395 646 HB3 GLU 81 HB3 GLU 81 -10.247 6.017 4.190 647 HG2 GLU 81 HG2 GLU 81 -8.246 6.865 5.403 648 HG3 GLU 81 HG3 GLU 81 -8.549 8.449 4.697 649 H ASP 82 H ASP 82 -8.252 6.350 0.244 650 HA ASP 82 HA ASP 82 -10.515 4.708 -0.412 651 HB2 ASP 82 HB2 ASP 82 -9.227 6.488 -1.902 652 HB3 ASP 82 HB3 ASP 82 -8.324 5.056 -2.398 653 H THR 83 H THR 83 -10.171 2.628 -1.753 654 HA THR 83 HA THR 83 -8.115 1.046 -0.353 655 HB THR 83 HB THR 83 -10.770 0.028 -1.367 656 HG1 THR 83 HG1 THR 83 -10.439 1.632 0.605 657 HG21 THR 83 HG21 THR 83 -9.010 -1.685 -1.138 658 HG22 THR 83 HG22 THR 83 -10.276 -1.900 0.070 659 HG23 THR 83 HG23 THR 83 -8.735 -1.172 0.526 660 H ILE 84 H ILE 84 -6.813 -0.275 -1.441 661 HA ILE 84 HA ILE 84 -6.854 -0.256 -4.371 662 HB ILE 84 HB ILE 84 -4.698 -1.264 -2.474 663 HG12 ILE 84 HG12 ILE 84 -5.203 1.191 -2.241 664 HG13 ILE 84 HG13 ILE 84 -3.558 0.822 -2.737 665 HG21 ILE 84 HG21 ILE 84 -4.489 -2.253 -4.642 666 HG22 ILE 84 HG22 ILE 84 -3.248 -1.002 -4.485 667 HG23 ILE 84 HG23 ILE 84 -4.700 -0.691 -5.434 668 HD11 ILE 84 HD11 ILE 84 -4.432 2.712 -3.936 669 HD12 ILE 84 HD12 ILE 84 -5.796 1.748 -4.510 670 HD13 ILE 84 HD13 ILE 84 -4.152 1.363 -5.035 671 H ASP 85 H ASP 85 -7.084 -2.146 -5.547 672 HA ASP 85 HA ASP 85 -7.839 -4.548 -4.045 673 HB2 ASP 85 HB2 ASP 85 -9.427 -3.747 -5.744 674 HB3 ASP 85 HB3 ASP 85 -8.165 -3.870 -6.967 675 H VAL 86 H VAL 86 -6.316 -6.015 -3.736 676 HA VAL 86 HA VAL 86 -4.223 -6.343 -5.788 677 HB VAL 86 HB VAL 86 -4.135 -6.981 -2.829 678 HG11 VAL 86 HG11 VAL 86 -1.987 -7.455 -4.898 679 HG12 VAL 86 HG12 VAL 86 -2.989 -8.718 -4.189 680 HG13 VAL 86 HG13 VAL 86 -1.886 -7.796 -3.169 681 HG21 VAL 86 HG21 VAL 86 -2.319 -5.365 -2.819 682 HG22 VAL 86 HG22 VAL 86 -3.824 -4.649 -3.396 683 HG23 VAL 86 HG23 VAL 86 -2.559 -5.087 -4.544 684 H PHE 87 H PHE 87 -3.855 -8.298 -6.650 685 HA PHE 87 HA PHE 87 -5.447 -10.535 -5.706 686 HB2 PHE 87 HB2 PHE 87 -5.943 -11.048 -8.186 687 HB3 PHE 87 HB3 PHE 87 -6.908 -9.815 -7.384 688 HD1 PHE 87 HD1 PHE 87 -6.672 -7.469 -7.970 689 HD2 PHE 87 HD2 PHE 87 -4.363 -10.481 -9.910 690 HE1 PHE 87 HE1 PHE 87 -6.091 -5.894 -9.733 691 HE2 PHE 87 HE2 PHE 87 -3.783 -8.885 -11.685 692 HZ PHE 87 HZ PHE 87 -4.647 -6.585 -11.601 693 H GLN 88 H GLN 88 -4.672 -12.604 -6.535 694 HA GLN 88 HA GLN 88 -1.780 -12.539 -6.636 695 HB2 GLN 88 HB2 GLN 88 -3.135 -14.104 -5.168 696 HB3 GLN 88 HB3 GLN 88 -3.556 -14.976 -6.635 697 HG2 GLN 88 HG2 GLN 88 -1.753 -16.210 -6.186 698 HG3 GLN 88 HG3 GLN 88 -0.851 -14.845 -6.839 699 HE21 GLN 88 HE21 GLN 88 -1.586 -13.187 -4.458 700 HE22 GLN 88 HE22 GLN 88 -0.546 -13.739 -3.194 701 H GLN 89 H GLN 89 -0.761 -12.417 -8.465 702 HA GLN 89 HA GLN 89 -1.906 -13.500 -10.947 703 HB2 GLN 89 HB2 GLN 89 0.318 -11.544 -10.400 704 HB3 GLN 89 HB3 GLN 89 0.023 -12.214 -11.997 705 HG2 GLN 89 HG2 GLN 89 -2.028 -10.696 -10.413 706 HG3 GLN 89 HG3 GLN 89 -0.947 -9.956 -11.593 707 HE21 GLN 89 HE21 GLN 89 -2.605 -9.316 -12.925 708 HE22 GLN 89 HE22 GLN 89 -3.538 -10.426 -13.863 709 H GLN 90 H GLN 90 -0.537 -14.983 -8.715 710 HA GLN 90 HA GLN 90 2.017 -15.849 -9.502 711 HB2 GLN 90 HB2 GLN 90 1.125 -16.187 -7.253 712 HB3 GLN 90 HB3 GLN 90 -0.093 -17.283 -7.886 713 HG2 GLN 90 HG2 GLN 90 1.716 -18.801 -8.617 714 HG3 GLN 90 HG3 GLN 90 2.882 -17.721 -7.855 715 HE21 GLN 90 HE21 GLN 90 2.965 -17.594 -5.618 716 HE22 GLN 90 HE22 GLN 90 2.218 -18.770 -4.597 717 H THR 91 H THR 91 2.437 -16.744 -11.419 718 HA THR 91 HA THR 91 1.035 -19.164 -12.184 719 HB THR 91 HB THR 91 1.221 -16.810 -14.089 720 HG1 THR 91 HG1 THR 91 -0.531 -17.134 -12.281 721 HG21 THR 91 HG21 THR 91 -0.015 -18.249 -15.635 722 HG22 THR 91 HG22 THR 91 0.029 -19.563 -14.461 723 HG23 THR 91 HG23 THR 91 1.525 -18.983 -15.194 724 H GLY 92 H GLY 92 2.689 -20.554 -12.423 725 HA2 GLY 92 HA2 GLY 92 4.523 -20.618 -14.386 726 HA3 GLY 92 HA3 GLY 92 5.315 -19.618 -13.175 727 H GLY 93 H GLY 93 6.822 -20.854 -12.225 728 HA2 GLY 93 HA2 GLY 93 6.363 -22.700 -10.325 729 HA3 GLY 93 HA3 GLY 93 6.382 -23.662 -11.798 Start of MODEL 2 1 H MET 1 H MET 1 23.774 16.309 2.733 2 HA MET 1 HA MET 1 22.898 15.530 4.803 3 HB2 MET 1 HB2 MET 1 24.966 16.643 5.026 4 HB3 MET 1 HB3 MET 1 24.237 18.225 4.798 5 HG2 MET 1 HG2 MET 1 23.487 18.348 6.928 6 HG3 MET 1 HG3 MET 1 23.347 16.606 7.094 7 HE1 MET 1 HE1 MET 1 25.901 17.428 9.926 8 HE2 MET 1 HE2 MET 1 24.389 16.628 9.504 9 HE3 MET 1 HE3 MET 1 24.500 18.386 9.451 10 H ALA 2 H ALA 2 21.629 18.721 3.950 11 HA ALA 2 HA ALA 2 19.390 18.241 5.742 12 HB1 ALA 2 HB1 ALA 2 20.868 20.866 5.452 13 HB2 ALA 2 HB2 ALA 2 20.886 19.826 6.876 14 HB3 ALA 2 HB3 ALA 2 19.389 20.615 6.380 15 H ASP 3 H ASP 3 18.140 17.667 4.009 16 HA ASP 3 HA ASP 3 17.990 19.513 1.754 17 HB2 ASP 3 HB2 ASP 3 17.130 16.658 2.075 18 HB3 ASP 3 HB3 ASP 3 16.611 17.639 0.707 19 H GLU 4 H GLU 4 16.160 18.632 4.524 20 HA GLU 4 HA GLU 4 13.672 19.465 3.375 21 HB2 GLU 4 HB2 GLU 4 13.316 19.544 6.128 22 HB3 GLU 4 HB3 GLU 4 12.909 18.214 5.061 23 HG2 GLU 4 HG2 GLU 4 14.153 17.413 6.962 24 HG3 GLU 4 HG3 GLU 4 15.104 17.207 5.498 25 H LYS 5 H LYS 5 12.902 21.395 3.217 26 HA LYS 5 HA LYS 5 12.466 23.597 3.495 27 HB2 LYS 5 HB2 LYS 5 12.342 23.115 5.920 28 HB3 LYS 5 HB3 LYS 5 14.068 23.423 6.047 29 HG2 LYS 5 HG2 LYS 5 13.520 25.733 5.062 30 HG3 LYS 5 HG3 LYS 5 11.849 25.354 5.485 31 HD2 LYS 5 HD2 LYS 5 12.844 26.610 7.282 32 HD3 LYS 5 HD3 LYS 5 12.592 24.949 7.821 33 HE2 LYS 5 HE2 LYS 5 14.920 24.434 7.465 34 HE3 LYS 5 HE3 LYS 5 15.197 26.018 6.747 35 HZ1 LYS 5 HZ1 LYS 5 15.951 25.901 9.040 36 HZ2 LYS 5 HZ2 LYS 5 14.382 25.530 9.558 37 HZ3 LYS 5 HZ3 LYS 5 14.713 27.038 8.858 38 HA PRO 6 HA PRO 6 16.386 25.018 1.779 39 HB2 PRO 6 HB2 PRO 6 15.390 26.011 -0.469 40 HB3 PRO 6 HB3 PRO 6 15.458 24.258 -0.235 41 HG2 PRO 6 HG2 PRO 6 13.128 26.109 0.003 42 HG3 PRO 6 HG3 PRO 6 13.195 24.472 -0.675 43 HD2 PRO 6 HD2 PRO 6 12.363 25.159 1.911 44 HD3 PRO 6 HD3 PRO 6 12.793 23.528 1.357 45 H LYS 7 H LYS 7 16.437 27.400 0.381 46 HA LYS 7 HA LYS 7 16.260 29.418 2.213 47 HB2 LYS 7 HB2 LYS 7 16.286 30.971 0.197 48 HB3 LYS 7 HB3 LYS 7 17.591 29.806 0.328 49 HG2 LYS 7 HG2 LYS 7 17.001 29.775 -1.934 50 HG3 LYS 7 HG3 LYS 7 16.217 28.346 -1.266 51 HD2 LYS 7 HD2 LYS 7 14.108 29.615 -1.099 52 HD3 LYS 7 HD3 LYS 7 14.909 31.009 -1.819 53 HE2 LYS 7 HE2 LYS 7 14.541 28.312 -3.125 54 HE3 LYS 7 HE3 LYS 7 13.605 29.759 -3.478 55 HZ1 LYS 7 HZ1 LYS 7 16.513 29.382 -3.941 56 HZ2 LYS 7 HZ2 LYS 7 15.688 30.832 -4.193 57 HZ3 LYS 7 HZ3 LYS 7 15.310 29.474 -5.121 58 H GLU 8 H GLU 8 13.587 28.037 0.563 59 HA GLU 8 HA GLU 8 11.849 30.317 0.774 60 HB2 GLU 8 HB2 GLU 8 11.259 27.395 0.310 61 HB3 GLU 8 HB3 GLU 8 10.044 28.669 0.279 62 HG2 GLU 8 HG2 GLU 8 11.278 29.754 -1.561 63 HG3 GLU 8 HG3 GLU 8 12.414 28.407 -1.560 64 H GLY 9 H GLY 9 9.810 30.209 2.098 65 HA2 GLY 9 HA2 GLY 9 10.751 29.898 4.812 66 HA3 GLY 9 HA3 GLY 9 9.283 30.703 4.293 67 H VAL 10 H VAL 10 7.457 29.383 3.756 68 HA VAL 10 HA VAL 10 7.232 27.282 5.725 69 HB VAL 10 HB VAL 10 5.099 28.357 3.875 70 HG11 VAL 10 HG11 VAL 10 4.880 26.700 6.389 71 HG12 VAL 10 HG12 VAL 10 4.558 26.150 4.745 72 HG13 VAL 10 HG13 VAL 10 3.525 27.375 5.483 73 HG21 VAL 10 HG21 VAL 10 5.999 30.111 5.319 74 HG22 VAL 10 HG22 VAL 10 5.730 29.095 6.736 75 HG23 VAL 10 HG23 VAL 10 4.357 29.683 5.799 76 H LYS 11 H LYS 11 8.270 25.496 5.023 77 HA LYS 11 HA LYS 11 7.109 24.227 2.653 78 HB2 LYS 11 HB2 LYS 11 9.923 24.118 3.703 79 HB3 LYS 11 HB3 LYS 11 9.294 22.906 2.595 80 HG2 LYS 11 HG2 LYS 11 9.363 25.859 2.026 81 HG3 LYS 11 HG3 LYS 11 10.576 24.699 1.486 82 HD2 LYS 11 HD2 LYS 11 8.881 23.484 0.225 83 HD3 LYS 11 HD3 LYS 11 7.640 24.601 0.795 84 HE2 LYS 11 HE2 LYS 11 8.637 26.417 -0.359 85 HE3 LYS 11 HE3 LYS 11 10.060 25.459 -0.762 86 HZ1 LYS 11 HZ1 LYS 11 8.596 25.657 -2.644 87 HZ2 LYS 11 HZ2 LYS 11 7.305 25.014 -1.772 88 HZ3 LYS 11 HZ3 LYS 11 8.644 24.047 -2.136 89 H THR 12 H THR 12 5.601 23.026 3.504 90 HA THR 12 HA THR 12 6.424 20.851 5.234 91 HB THR 12 HB THR 12 5.743 22.470 6.888 92 HG1 THR 12 HG1 THR 12 4.518 21.104 7.953 93 HG21 THR 12 HG21 THR 12 3.131 22.678 5.383 94 HG22 THR 12 HG22 THR 12 4.371 23.927 5.481 95 HG23 THR 12 HG23 THR 12 3.491 23.441 6.930 96 H GLU 13 H GLU 13 5.099 19.032 5.093 97 HA GLU 13 HA GLU 13 3.456 19.055 2.695 98 HB2 GLU 13 HB2 GLU 13 3.620 16.583 2.859 99 HB3 GLU 13 HB3 GLU 13 5.150 17.409 2.615 100 HG2 GLU 13 HG2 GLU 13 5.653 15.768 4.175 101 HG3 GLU 13 HG3 GLU 13 5.413 17.209 5.160 102 H ASN 14 H ASN 14 2.754 19.894 5.559 103 HA ASN 14 HA ASN 14 0.696 18.068 6.368 104 HB2 ASN 14 HB2 ASN 14 1.568 20.805 7.254 105 HB3 ASN 14 HB3 ASN 14 0.040 20.140 7.816 106 HD21 ASN 14 HD21 ASN 14 2.785 18.080 7.196 107 HD22 ASN 14 HD22 ASN 14 3.129 17.738 8.848 108 H ASN 15 H ASN 15 0.992 20.560 4.093 109 HA ASN 15 HA ASN 15 -1.870 21.105 3.990 110 HB2 ASN 15 HB2 ASN 15 0.326 22.176 2.193 111 HB3 ASN 15 HB3 ASN 15 -1.325 22.773 2.305 112 HD21 ASN 15 HD21 ASN 15 1.832 22.831 3.649 113 HD22 ASN 15 HD22 ASN 15 1.520 24.005 4.877 114 H ASP 16 H ASP 16 -0.026 18.671 3.075 115 HA ASP 16 HA ASP 16 -1.679 18.043 0.749 116 HB2 ASP 16 HB2 ASP 16 0.690 18.987 0.165 117 HB3 ASP 16 HB3 ASP 16 1.276 17.435 0.745 118 H HIS 17 H HIS 17 -0.588 15.577 0.188 119 HA HIS 17 HA HIS 17 -0.277 13.518 0.709 120 HB2 HIS 17 HB2 HIS 17 0.860 12.789 2.577 121 HB3 HIS 17 HB3 HIS 17 1.317 14.476 2.548 122 HD1 HIS 17 HD1 HIS 17 1.431 15.335 4.868 123 HD2 HIS 17 HD2 HIS 17 -1.629 12.582 4.371 124 HE1 HIS 17 HE1 HIS 17 0.317 15.180 7.111 125 HE2 HIS 17 HE2 HIS 17 -1.656 13.661 6.743 126 H ILE 18 H ILE 18 -1.434 11.830 1.041 127 HA ILE 18 HA ILE 18 -4.028 12.194 2.369 128 HB ILE 18 HB ILE 18 -5.154 10.976 0.501 129 HG12 ILE 18 HG12 ILE 18 -2.604 11.515 -1.036 130 HG13 ILE 18 HG13 ILE 18 -3.057 9.942 -0.394 131 HG21 ILE 18 HG21 ILE 18 -5.259 12.878 -1.039 132 HG22 ILE 18 HG22 ILE 18 -3.815 13.561 -0.293 133 HG23 ILE 18 HG23 ILE 18 -5.302 13.403 0.645 134 HD11 ILE 18 HD11 ILE 18 -4.565 11.518 -2.471 135 HD12 ILE 18 HD12 ILE 18 -5.060 9.957 -1.811 136 HD13 ILE 18 HD13 ILE 18 -3.573 10.085 -2.751 137 H ASN 19 H ASN 19 -5.188 10.000 2.481 138 HA ASN 19 HA ASN 19 -3.208 8.008 3.327 139 HB2 ASN 19 HB2 ASN 19 -4.746 8.689 5.091 140 HB3 ASN 19 HB3 ASN 19 -6.126 8.341 4.057 141 HD21 ASN 19 HD21 ASN 19 -3.625 6.993 6.048 142 HD22 ASN 19 HD22 ASN 19 -4.264 5.391 6.101 143 H LEU 20 H LEU 20 -2.979 6.224 2.212 144 HA LEU 20 HA LEU 20 -5.141 5.448 0.376 145 HB2 LEU 20 HB2 LEU 20 -2.157 5.045 0.022 146 HB3 LEU 20 HB3 LEU 20 -3.383 4.386 -1.036 147 HG LEU 20 HG LEU 20 -2.456 6.261 -2.156 148 HD11 LEU 20 HD11 LEU 20 -4.886 6.102 -2.302 149 HD12 LEU 20 HD12 LEU 20 -4.318 7.767 -2.423 150 HD13 LEU 20 HD13 LEU 20 -5.034 7.187 -0.919 151 HD21 LEU 20 HD21 LEU 20 -3.045 7.970 0.228 152 HD22 LEU 20 HD22 LEU 20 -2.132 8.406 -1.224 153 HD23 LEU 20 HD23 LEU 20 -1.474 7.238 -0.074 154 H LYS 21 H LYS 21 -5.714 3.296 0.360 155 HA LYS 21 HA LYS 21 -4.314 1.648 2.341 156 HB2 LYS 21 HB2 LYS 21 -7.313 1.843 2.042 157 HB3 LYS 21 HB3 LYS 21 -6.458 0.740 3.114 158 HG2 LYS 21 HG2 LYS 21 -5.499 2.685 4.297 159 HG3 LYS 21 HG3 LYS 21 -6.453 3.742 3.260 160 HD2 LYS 21 HD2 LYS 21 -7.574 1.659 5.135 161 HD3 LYS 21 HD3 LYS 21 -7.540 3.397 5.428 162 HE2 LYS 21 HE2 LYS 21 -8.865 3.657 3.309 163 HE3 LYS 21 HE3 LYS 21 -9.070 1.910 3.308 164 HZ1 LYS 21 HZ1 LYS 21 -10.094 2.118 5.528 165 HZ2 LYS 21 HZ2 LYS 21 -10.957 2.959 4.340 166 HZ3 LYS 21 HZ3 LYS 21 -9.959 3.805 5.412 167 H VAL 22 H VAL 22 -4.177 -0.456 1.909 168 HA VAL 22 HA VAL 22 -5.058 -1.257 -0.773 169 HB VAL 22 HB VAL 22 -2.670 -0.887 -0.856 170 HG11 VAL 22 HG11 VAL 22 -2.319 -2.812 1.377 171 HG12 VAL 22 HG12 VAL 22 -2.400 -1.070 1.597 172 HG13 VAL 22 HG13 VAL 22 -1.108 -1.775 0.613 173 HG21 VAL 22 HG21 VAL 22 -1.850 -3.127 -1.414 174 HG22 VAL 22 HG22 VAL 22 -3.440 -2.804 -2.101 175 HG23 VAL 22 HG23 VAL 22 -3.287 -3.821 -0.667 176 H ALA 23 H ALA 23 -6.202 -3.071 -0.859 177 HA ALA 23 HA ALA 23 -6.175 -4.799 1.524 178 HB1 ALA 23 HB1 ALA 23 -8.554 -5.251 1.119 179 HB2 ALA 23 HB2 ALA 23 -8.542 -4.087 -0.206 180 HB3 ALA 23 HB3 ALA 23 -8.248 -3.545 1.445 181 H GLY 24 H GLY 24 -5.844 -6.891 1.143 182 HA2 GLY 24 HA2 GLY 24 -5.691 -7.721 -1.673 183 HA3 GLY 24 HA3 GLY 24 -4.716 -8.404 -0.374 184 H GLN 25 H GLN 25 -6.568 -9.644 -2.304 185 HA GLN 25 HA GLN 25 -8.947 -10.471 -1.195 186 HB2 GLN 25 HB2 GLN 25 -8.413 -12.670 -2.579 187 HB3 GLN 25 HB3 GLN 25 -8.830 -11.153 -3.354 188 HG2 GLN 25 HG2 GLN 25 -6.966 -12.231 -4.479 189 HG3 GLN 25 HG3 GLN 25 -6.480 -10.696 -3.769 190 HE21 GLN 25 HE21 GLN 25 -4.988 -10.676 -2.126 191 HE22 GLN 25 HE22 GLN 25 -4.112 -12.074 -1.599 192 H ASP 26 H ASP 26 -5.887 -11.244 0.062 193 HA ASP 26 HA ASP 26 -6.575 -13.746 1.265 194 HB2 ASP 26 HB2 ASP 26 -4.371 -11.753 1.796 195 HB3 ASP 26 HB3 ASP 26 -4.577 -13.198 2.778 196 H GLY 27 H GLY 27 -7.079 -10.461 2.011 197 HA2 GLY 27 HA2 GLY 27 -9.035 -9.929 3.390 198 HA3 GLY 27 HA3 GLY 27 -8.599 -11.297 4.408 199 H SER 28 H SER 28 -6.250 -9.087 3.145 200 HA SER 28 HA SER 28 -5.958 -7.930 5.817 201 HB2 SER 28 HB2 SER 28 -3.479 -7.826 5.236 202 HB3 SER 28 HB3 SER 28 -4.137 -9.415 5.614 203 HG SER 28 HG SER 28 -2.868 -8.633 3.434 204 H VAL 29 H VAL 29 -4.925 -5.790 5.848 205 HA VAL 29 HA VAL 29 -4.958 -4.306 3.368 206 HB VAL 29 HB VAL 29 -7.273 -4.100 3.899 207 HG11 VAL 29 HG11 VAL 29 -6.450 -3.311 6.677 208 HG12 VAL 29 HG12 VAL 29 -7.227 -4.819 6.189 209 HG13 VAL 29 HG13 VAL 29 -8.100 -3.291 6.050 210 HG21 VAL 29 HG21 VAL 29 -6.272 -2.021 3.149 211 HG22 VAL 29 HG22 VAL 29 -5.848 -1.598 4.807 212 HG23 VAL 29 HG23 VAL 29 -7.543 -1.684 4.325 213 H VAL 30 H VAL 30 -3.652 -2.536 3.400 214 HA VAL 30 HA VAL 30 -2.393 -1.861 5.975 215 HB VAL 30 HB VAL 30 -0.944 -1.660 3.343 216 HG11 VAL 30 HG11 VAL 30 1.034 -1.524 4.721 217 HG12 VAL 30 HG12 VAL 30 0.078 -1.798 6.177 218 HG13 VAL 30 HG13 VAL 30 -0.137 -0.316 5.247 219 HG21 VAL 30 HG21 VAL 30 -0.866 -3.968 5.287 220 HG22 VAL 30 HG22 VAL 30 0.196 -3.756 3.888 221 HG23 VAL 30 HG23 VAL 30 -1.535 -3.995 3.654 222 H GLN 31 H GLN 31 -2.217 0.308 6.431 223 HA GLN 31 HA GLN 31 -3.340 2.125 4.415 224 HB2 GLN 31 HB2 GLN 31 -3.114 2.561 7.398 225 HB3 GLN 31 HB3 GLN 31 -3.938 3.604 6.255 226 HG2 GLN 31 HG2 GLN 31 -5.738 2.500 7.091 227 HG3 GLN 31 HG3 GLN 31 -5.310 1.396 5.790 228 HE21 GLN 31 HE21 GLN 31 -4.574 -0.622 6.256 229 HE22 GLN 31 HE22 GLN 31 -4.519 -1.285 7.852 230 H PHE 32 H PHE 32 -2.297 4.063 3.911 231 HA PHE 32 HA PHE 32 0.348 4.538 5.118 232 HB2 PHE 32 HB2 PHE 32 -0.051 4.728 2.134 233 HB3 PHE 32 HB3 PHE 32 1.456 4.731 3.034 234 HD1 PHE 32 HD1 PHE 32 -1.336 2.650 1.868 235 HD2 PHE 32 HD2 PHE 32 2.568 2.699 3.553 236 HE1 PHE 32 HE1 PHE 32 -1.121 0.263 1.426 237 HE2 PHE 32 HE2 PHE 32 2.785 0.281 3.118 238 HZ PHE 32 HZ PHE 32 0.926 -0.939 2.050 239 HH31 ALY 33 HH31 ALY 33 -6.384 12.220 5.502 240 HH32 ALY 33 HH32 ALY 33 -5.290 12.351 4.109 241 HH33 ALY 33 HH33 ALY 33 -5.696 13.782 5.081 242 HZ ALY 33 HZ ALY 33 -4.715 10.503 6.187 243 HE3 ALY 33 HE3 ALY 33 -1.914 11.285 5.994 244 HE2 ALY 33 HE2 ALY 33 -2.544 10.881 7.591 245 HD3 ALY 33 HD3 ALY 33 -3.225 8.668 6.720 246 HD2 ALY 33 HD2 ALY 33 -2.494 9.098 5.172 247 HG3 ALY 33 HG3 ALY 33 -0.907 9.147 7.724 248 HG2 ALY 33 HG2 ALY 33 -1.114 7.664 6.794 249 HB3 ALY 33 HB3 ALY 33 -0.017 10.232 5.665 250 HB2 ALY 33 HB2 ALY 33 0.982 8.936 6.306 251 HCA ALY 33 HCA ALY 33 -0.920 8.638 3.957 252 H ALY 33 H ALY 33 1.054 6.704 4.976 253 H ILE 34 H ILE 34 -0.081 9.093 1.981 254 HA ILE 34 HA ILE 34 2.744 9.937 1.902 255 HB ILE 34 HB ILE 34 3.102 8.923 -0.245 256 HG12 ILE 34 HG12 ILE 34 0.228 7.994 -0.165 257 HG13 ILE 34 HG13 ILE 34 0.825 9.319 -1.152 258 HG21 ILE 34 HG21 ILE 34 1.724 6.943 1.566 259 HG22 ILE 34 HG22 ILE 34 3.419 7.427 1.650 260 HG23 ILE 34 HG23 ILE 34 2.827 6.528 0.251 261 HD11 ILE 34 HD11 ILE 34 2.250 7.757 -2.378 262 HD12 ILE 34 HD12 ILE 34 0.552 7.290 -2.461 263 HD13 ILE 34 HD13 ILE 34 1.651 6.432 -1.381 264 H LYS 35 H LYS 35 3.207 11.279 -0.080 265 HA LYS 35 HA LYS 35 1.278 13.389 -0.191 266 HB2 LYS 35 HB2 LYS 35 3.877 13.019 -1.693 267 HB3 LYS 35 HB3 LYS 35 2.894 14.471 -1.749 268 HG2 LYS 35 HG2 LYS 35 4.694 14.883 -0.289 269 HG3 LYS 35 HG3 LYS 35 3.274 14.651 0.734 270 HD2 LYS 35 HD2 LYS 35 3.975 12.542 1.436 271 HD3 LYS 35 HD3 LYS 35 5.084 12.355 0.076 272 HE2 LYS 35 HE2 LYS 35 6.571 13.939 0.972 273 HE3 LYS 35 HE3 LYS 35 5.414 14.411 2.219 274 HZ1 LYS 35 HZ1 LYS 35 6.741 11.765 1.982 275 HZ2 LYS 35 HZ2 LYS 35 5.648 12.202 3.194 276 HZ3 LYS 35 HZ3 LYS 35 7.146 12.967 3.096 277 H ARG 36 H ARG 36 0.215 14.136 -2.073 278 HA ARG 36 HA ARG 36 -0.765 12.016 -3.724 279 HB2 ARG 36 HB2 ARG 36 -2.047 13.849 -4.889 280 HB3 ARG 36 HB3 ARG 36 -2.335 13.714 -3.168 281 HG2 ARG 36 HG2 ARG 36 -2.087 15.961 -3.292 282 HG3 ARG 36 HG3 ARG 36 -0.394 15.509 -3.099 283 HD2 ARG 36 HD2 ARG 36 -0.149 15.544 -5.559 284 HD3 ARG 36 HD3 ARG 36 -1.802 16.155 -5.674 285 HE ARG 36 HE ARG 36 -0.122 17.689 -3.926 286 HH11 ARG 36 HH11 ARG 36 -1.223 17.285 -7.236 287 HH12 ARG 36 HH12 ARG 36 -0.786 18.886 -7.708 288 HH21 ARG 36 HH21 ARG 36 0.488 19.811 -4.578 289 HH22 ARG 36 HH22 ARG 36 0.188 20.327 -6.201 290 H HIS 37 H HIS 37 1.974 13.967 -3.917 291 HA HIS 37 HA HIS 37 2.142 13.682 -6.820 292 HB2 HIS 37 HB2 HIS 37 2.536 15.941 -5.836 293 HB3 HIS 37 HB3 HIS 37 3.873 15.267 -4.916 294 HD1 HIS 37 HD1 HIS 37 2.879 15.962 -8.515 295 HD2 HIS 37 HD2 HIS 37 6.271 15.203 -6.233 296 HE1 HIS 37 HE1 HIS 37 4.826 16.334 -10.051 297 HE2 HIS 37 HE2 HIS 37 6.855 15.732 -8.690 298 H THR 38 H THR 38 2.840 12.154 -4.059 299 HA THR 38 HA THR 38 5.509 11.237 -4.636 300 HB THR 38 HB THR 38 3.551 11.000 -2.405 301 HG1 THR 38 HG1 THR 38 6.273 11.757 -2.622 302 HG21 THR 38 HG21 THR 38 4.952 9.371 -1.241 303 HG22 THR 38 HG22 THR 38 5.973 9.213 -2.673 304 HG23 THR 38 HG23 THR 38 4.285 8.688 -2.731 305 HA PRO 39 HA PRO 39 4.146 7.808 -7.097 306 HB2 PRO 39 HB2 PRO 39 6.259 6.108 -6.569 307 HB3 PRO 39 HB3 PRO 39 6.293 7.402 -7.772 308 HG2 PRO 39 HG2 PRO 39 7.343 7.384 -4.973 309 HG3 PRO 39 HG3 PRO 39 8.066 8.077 -6.437 310 HD2 PRO 39 HD2 PRO 39 6.835 9.611 -4.622 311 HD3 PRO 39 HD3 PRO 39 6.717 9.962 -6.362 312 H LEU 40 H LEU 40 2.611 6.423 -6.576 313 HA LEU 40 HA LEU 40 2.187 5.508 -3.942 314 HB2 LEU 40 HB2 LEU 40 0.434 4.006 -5.074 315 HB3 LEU 40 HB3 LEU 40 0.221 5.739 -5.148 316 HG LEU 40 HG LEU 40 1.156 5.685 -7.480 317 HD11 LEU 40 HD11 LEU 40 1.206 3.556 -8.662 318 HD12 LEU 40 HD12 LEU 40 0.879 2.705 -7.153 319 HD13 LEU 40 HD13 LEU 40 2.388 3.594 -7.354 320 HD21 LEU 40 HD21 LEU 40 -1.234 5.790 -7.063 321 HD22 LEU 40 HD22 LEU 40 -1.304 4.031 -6.962 322 HD23 LEU 40 HD23 LEU 40 -0.885 4.809 -8.487 323 H SER 41 H SER 41 4.149 4.338 -6.415 324 HA SER 41 HA SER 41 4.155 1.600 -6.116 325 HB2 SER 41 HB2 SER 41 6.650 1.902 -6.749 326 HB3 SER 41 HB3 SER 41 5.405 2.425 -7.881 327 HG SER 41 HG SER 41 6.679 4.145 -7.772 328 H LYS 42 H LYS 42 5.463 4.047 -4.035 329 HA LYS 42 HA LYS 42 7.281 2.441 -2.609 330 HB2 LYS 42 HB2 LYS 42 5.800 4.905 -1.681 331 HB3 LYS 42 HB3 LYS 42 7.225 4.211 -0.916 332 HG2 LYS 42 HG2 LYS 42 8.521 4.648 -2.958 333 HG3 LYS 42 HG3 LYS 42 7.093 5.374 -3.693 334 HD2 LYS 42 HD2 LYS 42 8.522 7.123 -2.852 335 HD3 LYS 42 HD3 LYS 42 7.065 7.049 -1.861 336 HE2 LYS 42 HE2 LYS 42 9.047 7.332 -0.482 337 HE3 LYS 42 HE3 LYS 42 8.283 5.778 -0.163 338 HZ1 LYS 42 HZ1 LYS 42 9.952 4.753 -1.655 339 HZ2 LYS 42 HZ2 LYS 42 10.640 5.491 -0.303 340 HZ3 LYS 42 HZ3 LYS 42 10.713 6.256 -1.805 341 H LEU 43 H LEU 43 3.875 3.193 -2.123 342 HA LEU 43 HA LEU 43 3.686 1.682 0.298 343 HB2 LEU 43 HB2 LEU 43 1.392 2.151 0.331 344 HB3 LEU 43 HB3 LEU 43 2.111 3.560 -0.414 345 HG LEU 43 HG LEU 43 1.458 2.343 -2.650 346 HD11 LEU 43 HD11 LEU 43 -0.608 1.050 -2.474 347 HD12 LEU 43 HD12 LEU 43 -0.529 1.147 -0.716 348 HD13 LEU 43 HD13 LEU 43 0.704 0.255 -1.602 349 HD21 LEU 43 HD21 LEU 43 0.587 4.497 -1.912 350 HD22 LEU 43 HD22 LEU 43 -0.570 3.669 -0.863 351 HD23 LEU 43 HD23 LEU 43 -0.693 3.503 -2.615 352 H MET 44 H MET 44 3.260 0.998 -3.098 353 HA MET 44 HA MET 44 1.946 -1.483 -2.795 354 HB2 MET 44 HB2 MET 44 3.675 -0.524 -5.080 355 HB3 MET 44 HB3 MET 44 2.631 -1.936 -5.126 356 HG2 MET 44 HG2 MET 44 0.740 -0.286 -4.540 357 HG3 MET 44 HG3 MET 44 1.880 0.955 -5.047 358 HE1 MET 44 HE1 MET 44 3.473 -0.611 -7.320 359 HE2 MET 44 HE2 MET 44 2.927 1.049 -7.573 360 HE3 MET 44 HE3 MET 44 2.574 -0.190 -8.777 361 H LYS 45 H LYS 45 5.395 -0.713 -3.311 362 HA LYS 45 HA LYS 45 6.192 -3.422 -3.098 363 HB2 LYS 45 HB2 LYS 45 7.754 -0.871 -2.799 364 HB3 LYS 45 HB3 LYS 45 8.486 -2.469 -2.707 365 HG2 LYS 45 HG2 LYS 45 7.243 -2.789 -5.001 366 HG3 LYS 45 HG3 LYS 45 7.356 -1.029 -5.041 367 HD2 LYS 45 HD2 LYS 45 9.765 -1.173 -4.747 368 HD3 LYS 45 HD3 LYS 45 9.659 -2.934 -4.650 369 HE2 LYS 45 HE2 LYS 45 10.309 -2.432 -6.868 370 HE3 LYS 45 HE3 LYS 45 8.601 -2.884 -6.921 371 HZ1 LYS 45 HZ1 LYS 45 9.051 -0.906 -8.278 372 HZ2 LYS 45 HZ2 LYS 45 9.655 -0.105 -6.915 373 HZ3 LYS 45 HZ3 LYS 45 8.029 -0.529 -6.977 374 H ALA 46 H ALA 46 5.776 -0.824 -0.769 375 HA ALA 46 HA ALA 46 6.985 -2.111 1.428 376 HB1 ALA 46 HB1 ALA 46 4.722 -0.117 1.445 377 HB2 ALA 46 HB2 ALA 46 6.437 0.288 1.390 378 HB3 ALA 46 HB3 ALA 46 5.766 -0.523 2.809 379 H TYR 47 H TYR 47 3.810 -2.342 -0.056 380 HA TYR 47 HA TYR 47 2.491 -3.700 2.001 381 HB2 TYR 47 HB2 TYR 47 1.246 -2.701 0.198 382 HB3 TYR 47 HB3 TYR 47 2.081 -3.693 -0.990 383 HD1 TYR 47 HD1 TYR 47 -0.495 -3.644 1.604 384 HD2 TYR 47 HD2 TYR 47 1.434 -6.006 -1.342 385 HE1 TYR 47 HE1 TYR 47 -2.298 -5.294 1.772 386 HE2 TYR 47 HE2 TYR 47 -0.359 -7.680 -1.193 387 HH TYR 47 HH TYR 47 -2.067 -8.403 0.524 388 H CYS 48 H CYS 48 4.081 -4.960 -0.961 389 HA CYS 48 HA CYS 48 3.611 -7.646 -0.290 390 HB2 CYS 48 HB2 CYS 48 5.334 -8.145 -2.041 391 HB3 CYS 48 HB3 CYS 48 4.033 -7.098 -2.580 392 HG CYS 48 HG CYS 48 6.552 -5.257 -1.483 393 H GLU 49 H GLU 49 6.263 -5.465 0.443 394 HA GLU 49 HA GLU 49 8.036 -7.449 1.379 395 HB2 GLU 49 HB2 GLU 49 7.862 -4.491 1.921 396 HB3 GLU 49 HB3 GLU 49 9.149 -5.509 2.556 397 HG2 GLU 49 HG2 GLU 49 9.697 -6.132 0.202 398 HG3 GLU 49 HG3 GLU 49 8.526 -4.922 -0.323 399 H ARG 50 H ARG 50 5.561 -5.505 3.008 400 HA ARG 50 HA ARG 50 6.318 -6.583 5.583 401 HB2 ARG 50 HB2 ARG 50 4.693 -5.131 6.537 402 HB3 ARG 50 HB3 ARG 50 5.503 -4.230 5.266 403 HG2 ARG 50 HG2 ARG 50 3.584 -4.734 3.768 404 HG3 ARG 50 HG3 ARG 50 2.765 -5.473 5.145 405 HD2 ARG 50 HD2 ARG 50 3.575 -2.593 4.800 406 HD3 ARG 50 HD3 ARG 50 1.959 -3.258 4.956 407 HE ARG 50 HE ARG 50 2.504 -3.811 7.265 408 HH11 ARG 50 HH11 ARG 50 4.535 -1.428 5.644 409 HH12 ARG 50 HH12 ARG 50 5.009 -0.648 7.106 410 HH21 ARG 50 HH21 ARG 50 3.163 -2.773 9.203 411 HH22 ARG 50 HH22 ARG 50 4.241 -1.422 9.136 412 H GLN 51 H GLN 51 3.849 -7.177 3.172 413 HA GLN 51 HA GLN 51 2.241 -8.814 4.900 414 HB2 GLN 51 HB2 GLN 51 2.213 -8.362 1.930 415 HB3 GLN 51 HB3 GLN 51 1.033 -9.357 2.787 416 HG2 GLN 51 HG2 GLN 51 1.560 -6.471 3.343 417 HG3 GLN 51 HG3 GLN 51 0.305 -7.063 2.255 418 HE21 GLN 51 HE21 GLN 51 1.378 -6.927 5.574 419 HE22 GLN 51 HE22 GLN 51 -0.152 -7.293 6.287 420 H GLY 52 H GLY 52 4.938 -9.297 2.869 421 HA2 GLY 52 HA2 GLY 52 6.236 -11.243 2.802 422 HA3 GLY 52 HA3 GLY 52 4.892 -12.118 3.533 423 H LEU 53 H LEU 53 4.899 -10.058 0.676 424 HA LEU 53 HA LEU 53 4.206 -12.396 -0.957 425 HB2 LEU 53 HB2 LEU 53 2.869 -9.708 -0.879 426 HB3 LEU 53 HB3 LEU 53 2.819 -10.696 -2.320 427 HG LEU 53 HG LEU 53 0.795 -10.991 -1.159 428 HD11 LEU 53 HD11 LEU 53 1.703 -13.009 -2.168 429 HD12 LEU 53 HD12 LEU 53 0.752 -13.388 -0.734 430 HD13 LEU 53 HD13 LEU 53 2.513 -13.410 -0.652 431 HD21 LEU 53 HD21 LEU 53 2.380 -11.718 1.287 432 HD22 LEU 53 HD22 LEU 53 0.622 -11.788 1.138 433 HD23 LEU 53 HD23 LEU 53 1.458 -10.236 1.037 434 H SER 54 H SER 54 4.579 -11.944 -3.328 435 HA SER 54 HA SER 54 6.878 -10.142 -3.659 436 HB2 SER 54 HB2 SER 54 6.220 -12.733 -5.069 437 HB3 SER 54 HB3 SER 54 7.600 -11.714 -5.444 438 HG SER 54 HG SER 54 7.072 -12.890 -2.916 439 H MET 55 H MET 55 7.019 -8.978 -5.669 440 HA MET 55 HA MET 55 4.597 -7.981 -6.665 441 HB2 MET 55 HB2 MET 55 7.445 -7.748 -7.564 442 HB3 MET 55 HB3 MET 55 6.157 -7.159 -8.609 443 HG2 MET 55 HG2 MET 55 6.629 -6.327 -5.763 444 HG3 MET 55 HG3 MET 55 7.076 -5.405 -7.199 445 HE1 MET 55 HE1 MET 55 5.610 -3.451 -5.772 446 HE2 MET 55 HE2 MET 55 5.175 -4.708 -4.613 447 HE3 MET 55 HE3 MET 55 3.916 -3.712 -5.349 448 H ARG 56 H ARG 56 6.497 -10.692 -7.669 449 HA ARG 56 HA ARG 56 5.006 -11.041 -10.127 450 HB2 ARG 56 HB2 ARG 56 6.283 -13.213 -10.289 451 HB3 ARG 56 HB3 ARG 56 7.267 -11.759 -10.267 452 HG2 ARG 56 HG2 ARG 56 6.798 -13.023 -7.646 453 HG3 ARG 56 HG3 ARG 56 7.785 -13.937 -8.790 454 HD2 ARG 56 HD2 ARG 56 8.267 -11.070 -7.979 455 HD3 ARG 56 HD3 ARG 56 9.133 -12.465 -7.335 456 HE ARG 56 HE ARG 56 9.620 -12.810 -9.880 457 HH11 ARG 56 HH11 ARG 56 9.681 -9.787 -8.081 458 HH12 ARG 56 HH12 ARG 56 10.813 -9.042 -9.149 459 HH21 ARG 56 HH21 ARG 56 11.147 -11.827 -11.261 460 HH22 ARG 56 HH22 ARG 56 11.664 -10.207 -10.937 461 H GLN 57 H GLN 57 4.557 -11.718 -6.895 462 HA GLN 57 HA GLN 57 2.895 -14.065 -7.367 463 HB2 GLN 57 HB2 GLN 57 4.274 -12.925 -5.030 464 HB3 GLN 57 HB3 GLN 57 2.707 -13.658 -4.698 465 HG2 GLN 57 HG2 GLN 57 4.489 -15.250 -4.366 466 HG3 GLN 57 HG3 GLN 57 3.476 -15.744 -5.721 467 HE21 GLN 57 HE21 GLN 57 4.318 -15.533 -7.823 468 HE22 GLN 57 HE22 GLN 57 6.017 -15.451 -8.096 469 H ILE 58 H ILE 58 2.552 -10.700 -6.975 470 HA ILE 58 HA ILE 58 -0.355 -11.062 -6.785 471 HB ILE 58 HB ILE 58 -0.654 -9.319 -5.154 472 HG12 ILE 58 HG12 ILE 58 2.351 -9.042 -5.242 473 HG13 ILE 58 HG13 ILE 58 1.159 -7.848 -5.729 474 HG21 ILE 58 HG21 ILE 58 1.431 -11.269 -4.194 475 HG22 ILE 58 HG22 ILE 58 -0.302 -11.574 -4.294 476 HG23 ILE 58 HG23 ILE 58 0.317 -10.358 -3.170 477 HD11 ILE 58 HD11 ILE 58 1.622 -8.817 -2.919 478 HD12 ILE 58 HD12 ILE 58 0.423 -7.624 -3.421 479 HD13 ILE 58 HD13 ILE 58 2.143 -7.273 -3.594 480 H ARG 59 H ARG 59 -1.416 -8.802 -7.036 481 HA ARG 59 HA ARG 59 0.030 -6.990 -8.732 482 HB2 ARG 59 HB2 ARG 59 -1.946 -8.902 -9.758 483 HB3 ARG 59 HB3 ARG 59 -2.199 -7.254 -10.292 484 HG2 ARG 59 HG2 ARG 59 0.346 -8.833 -10.586 485 HG3 ARG 59 HG3 ARG 59 -0.839 -8.529 -11.863 486 HD2 ARG 59 HD2 ARG 59 -0.418 -6.167 -11.727 487 HD3 ARG 59 HD3 ARG 59 0.667 -6.394 -10.371 488 HE ARG 59 HE ARG 59 2.199 -7.520 -11.809 489 HH11 ARG 59 HH11 ARG 59 -0.392 -5.847 -13.495 490 HH12 ARG 59 HH12 ARG 59 0.508 -5.694 -14.961 491 HH21 ARG 59 HH21 ARG 59 3.360 -7.344 -13.741 492 HH22 ARG 59 HH22 ARG 59 2.649 -6.563 -15.114 493 H PHE 60 H PHE 60 -0.771 -4.962 -8.722 494 HA PHE 60 HA PHE 60 -2.950 -4.456 -6.836 495 HB2 PHE 60 HB2 PHE 60 -0.771 -2.633 -7.885 496 HB3 PHE 60 HB3 PHE 60 -2.020 -2.157 -6.741 497 HD1 PHE 60 HD1 PHE 60 0.796 -4.531 -7.198 498 HD2 PHE 60 HD2 PHE 60 -1.689 -2.432 -4.461 499 HE1 PHE 60 HE1 PHE 60 2.223 -5.272 -5.344 500 HE2 PHE 60 HE2 PHE 60 -0.261 -3.169 -2.599 501 HZ PHE 60 HZ PHE 60 1.694 -4.594 -3.038 502 H ARG 61 H ARG 61 -4.732 -3.321 -7.414 503 HA ARG 61 HA ARG 61 -4.945 -2.256 -10.138 504 HB2 ARG 61 HB2 ARG 61 -5.757 -4.556 -10.137 505 HB3 ARG 61 HB3 ARG 61 -6.852 -4.179 -8.819 506 HG2 ARG 61 HG2 ARG 61 -7.549 -2.325 -10.696 507 HG3 ARG 61 HG3 ARG 61 -7.114 -3.723 -11.686 508 HD2 ARG 61 HD2 ARG 61 -8.520 -5.024 -9.939 509 HD3 ARG 61 HD3 ARG 61 -9.222 -3.436 -9.616 510 HE ARG 61 HE ARG 61 -9.241 -3.928 -12.386 511 HH11 ARG 61 HH11 ARG 61 -10.847 -4.992 -9.440 512 HH12 ARG 61 HH12 ARG 61 -12.311 -5.419 -10.247 513 HH21 ARG 61 HH21 ARG 61 -11.179 -4.498 -13.446 514 HH22 ARG 61 HH22 ARG 61 -12.512 -5.120 -12.538 515 H PHE 62 H PHE 62 -6.426 -0.553 -10.315 516 HA PHE 62 HA PHE 62 -8.122 0.109 -8.074 517 HB2 PHE 62 HB2 PHE 62 -6.003 1.163 -7.454 518 HB3 PHE 62 HB3 PHE 62 -5.970 2.040 -8.979 519 HD1 PHE 62 HD1 PHE 62 -7.726 1.666 -5.769 520 HD2 PHE 62 HD2 PHE 62 -7.236 4.020 -9.270 521 HE1 PHE 62 HE1 PHE 62 -9.002 3.490 -4.717 522 HE2 PHE 62 HE2 PHE 62 -8.499 5.852 -8.227 523 HZ PHE 62 HZ PHE 62 -9.382 5.590 -5.947 524 H ASP 63 H ASP 63 -9.779 1.442 -8.627 525 HA ASP 63 HA ASP 63 -11.455 2.176 -9.997 526 HB2 ASP 63 HB2 ASP 63 -9.081 3.603 -10.690 527 HB3 ASP 63 HB3 ASP 63 -10.033 3.354 -12.145 528 H GLY 64 H GLY 64 -10.192 -0.457 -10.575 529 HA2 GLY 64 HA2 GLY 64 -11.002 -2.108 -12.002 530 HA3 GLY 64 HA3 GLY 64 -11.501 -0.876 -13.145 531 H GLN 65 H GLN 65 -8.698 0.294 -12.775 532 HA GLN 65 HA GLN 65 -7.484 -1.366 -14.882 533 HB2 GLN 65 HB2 GLN 65 -6.025 0.628 -15.292 534 HB3 GLN 65 HB3 GLN 65 -7.738 0.918 -15.550 535 HG2 GLN 65 HG2 GLN 65 -7.926 2.106 -13.509 536 HG3 GLN 65 HG3 GLN 65 -6.311 1.620 -13.006 537 HE21 GLN 65 HE21 GLN 65 -5.690 3.724 -12.719 538 HE22 GLN 65 HE22 GLN 65 -5.370 4.802 -14.026 539 HA PRO 66 HA PRO 66 -4.187 -2.745 -12.255 540 HB2 PRO 66 HB2 PRO 66 -2.197 -3.066 -14.074 541 HB3 PRO 66 HB3 PRO 66 -3.580 -4.165 -13.978 542 HG2 PRO 66 HG2 PRO 66 -3.113 -1.872 -15.847 543 HG3 PRO 66 HG3 PRO 66 -3.739 -3.491 -16.202 544 HD2 PRO 66 HD2 PRO 66 -5.353 -1.340 -15.932 545 HD3 PRO 66 HD3 PRO 66 -5.858 -2.974 -15.455 546 H ILE 67 H ILE 67 -2.623 -1.792 -11.037 547 HA ILE 67 HA ILE 67 -1.888 0.943 -11.710 548 HB ILE 67 HB ILE 67 -1.174 -0.635 -9.228 549 HG12 ILE 67 HG12 ILE 67 -3.528 1.212 -9.679 550 HG13 ILE 67 HG13 ILE 67 -3.614 -0.539 -9.513 551 HG21 ILE 67 HG21 ILE 67 0.198 1.347 -9.593 552 HG22 ILE 67 HG22 ILE 67 -0.873 1.571 -8.210 553 HG23 ILE 67 HG23 ILE 67 -1.253 2.335 -9.754 554 HD11 ILE 67 HD11 ILE 67 -2.755 1.435 -7.419 555 HD12 ILE 67 HD12 ILE 67 -2.678 -0.316 -7.239 556 HD13 ILE 67 HD13 ILE 67 -4.236 0.478 -7.444 557 H ASN 68 H ASN 68 0.296 1.681 -11.901 558 HA ASN 68 HA ASN 68 2.269 -0.451 -12.331 559 HB2 ASN 68 HB2 ASN 68 2.942 2.130 -13.527 560 HB3 ASN 68 HB3 ASN 68 2.961 0.531 -14.252 561 HD21 ASN 68 HD21 ASN 68 1.174 3.434 -13.759 562 HD22 ASN 68 HD22 ASN 68 -0.091 3.102 -14.871 563 H GLU 69 H GLU 69 4.464 0.141 -11.696 564 HA GLU 69 HA GLU 69 4.391 1.554 -9.232 565 HB2 GLU 69 HB2 GLU 69 6.805 1.065 -9.080 566 HB3 GLU 69 HB3 GLU 69 5.838 -0.361 -9.410 567 HG2 GLU 69 HG2 GLU 69 6.471 -0.192 -11.788 568 HG3 GLU 69 HG3 GLU 69 7.510 1.176 -11.381 569 H THR 70 H THR 70 4.787 2.523 -12.410 570 HA THR 70 HA THR 70 6.208 4.958 -11.713 571 HB THR 70 HB THR 70 5.967 5.359 -14.226 572 HG1 THR 70 HG1 THR 70 5.335 3.582 -15.444 573 HG21 THR 70 HG21 THR 70 7.419 2.894 -13.258 574 HG22 THR 70 HG22 THR 70 8.033 4.546 -13.190 575 HG23 THR 70 HG23 THR 70 7.767 3.768 -14.751 576 H ASP 71 H ASP 71 3.232 4.147 -11.096 577 HA ASP 71 HA ASP 71 1.912 6.434 -12.374 578 HB2 ASP 71 HB2 ASP 71 0.951 3.972 -12.119 579 HB3 ASP 71 HB3 ASP 71 0.450 4.584 -10.548 580 H THR 72 H THR 72 0.782 7.989 -11.142 581 HA THR 72 HA THR 72 1.716 8.287 -8.354 582 HB THR 72 HB THR 72 0.659 10.573 -9.994 583 HG1 THR 72 HG1 THR 72 2.844 9.104 -10.602 584 HG21 THR 72 HG21 THR 72 1.094 11.007 -7.655 585 HG22 THR 72 HG22 THR 72 2.293 11.851 -8.633 586 HG23 THR 72 HG23 THR 72 2.728 10.357 -7.804 587 HA PRO 73 HA PRO 73 -2.496 7.734 -6.966 588 HB2 PRO 73 HB2 PRO 73 -2.502 9.634 -4.937 589 HB3 PRO 73 HB3 PRO 73 -1.887 7.984 -4.773 590 HG2 PRO 73 HG2 PRO 73 -0.390 10.508 -5.400 591 HG3 PRO 73 HG3 PRO 73 0.042 9.213 -4.253 592 HD2 PRO 73 HD2 PRO 73 1.204 9.362 -6.600 593 HD3 PRO 73 HD3 PRO 73 0.673 7.772 -5.997 594 H ALA 74 H ALA 74 -1.283 10.989 -7.502 595 HA ALA 74 HA ALA 74 -3.800 12.269 -7.581 596 HB1 ALA 74 HB1 ALA 74 -1.763 13.472 -7.091 597 HB2 ALA 74 HB2 ALA 74 -2.539 14.159 -8.526 598 HB3 ALA 74 HB3 ALA 74 -1.139 13.093 -8.696 599 H GLN 75 H GLN 75 -2.191 10.280 -9.833 600 HA GLN 75 HA GLN 75 -3.263 11.457 -12.211 601 HB2 GLN 75 HB2 GLN 75 -1.915 8.876 -11.556 602 HB3 GLN 75 HB3 GLN 75 -2.638 9.117 -13.142 603 HG2 GLN 75 HG2 GLN 75 -0.465 10.774 -11.879 604 HG3 GLN 75 HG3 GLN 75 -0.258 9.584 -13.162 605 HE21 GLN 75 HE21 GLN 75 -1.353 12.767 -12.362 606 HE22 GLN 75 HE22 GLN 75 -1.555 13.332 -13.979 607 H LEU 76 H LEU 76 -4.213 8.884 -10.037 608 HA LEU 76 HA LEU 76 -6.446 8.150 -11.723 609 HB2 LEU 76 HB2 LEU 76 -6.033 7.130 -8.935 610 HB3 LEU 76 HB3 LEU 76 -6.820 6.346 -10.285 611 HG LEU 76 HG LEU 76 -4.298 6.562 -11.263 612 HD11 LEU 76 HD11 LEU 76 -2.719 6.007 -9.540 613 HD12 LEU 76 HD12 LEU 76 -3.989 6.046 -8.320 614 HD13 LEU 76 HD13 LEU 76 -3.507 7.536 -9.134 615 HD21 LEU 76 HD21 LEU 76 -4.079 4.224 -10.801 616 HD22 LEU 76 HD22 LEU 76 -5.784 4.557 -11.124 617 HD23 LEU 76 HD23 LEU 76 -5.226 4.328 -9.469 618 H GLU 77 H GLU 77 -5.929 10.635 -9.662 619 HA GLU 77 HA GLU 77 -7.240 12.109 -8.531 620 HB2 GLU 77 HB2 GLU 77 -9.252 10.842 -10.370 621 HB3 GLU 77 HB3 GLU 77 -9.707 12.115 -9.243 622 HG2 GLU 77 HG2 GLU 77 -7.512 12.384 -11.256 623 HG3 GLU 77 HG3 GLU 77 -9.182 12.872 -11.566 624 H MET 78 H MET 78 -6.702 9.603 -7.347 625 HA MET 78 HA MET 78 -9.065 8.708 -5.992 626 HB2 MET 78 HB2 MET 78 -7.594 7.172 -4.839 627 HB3 MET 78 HB3 MET 78 -7.166 7.205 -6.545 628 HG2 MET 78 HG2 MET 78 -5.478 9.055 -5.659 629 HG3 MET 78 HG3 MET 78 -5.636 8.101 -4.186 630 HE1 MET 78 HE1 MET 78 -5.217 5.391 -4.190 631 HE2 MET 78 HE2 MET 78 -4.614 4.525 -5.604 632 HE3 MET 78 HE3 MET 78 -6.234 5.222 -5.620 633 H GLU 79 H GLU 79 -9.170 8.711 -3.590 634 HA GLU 79 HA GLU 79 -8.050 11.198 -2.480 635 HB2 GLU 79 HB2 GLU 79 -10.103 11.697 -1.391 636 HB3 GLU 79 HB3 GLU 79 -10.492 11.370 -3.075 637 HG2 GLU 79 HG2 GLU 79 -11.124 9.060 -2.407 638 HG3 GLU 79 HG3 GLU 79 -10.860 9.526 -0.739 639 H ASP 80 H ASP 80 -8.304 11.147 0.067 640 HA ASP 80 HA ASP 80 -6.897 9.018 1.053 641 HB2 ASP 80 HB2 ASP 80 -7.362 9.866 3.252 642 HB3 ASP 80 HB3 ASP 80 -7.126 11.235 2.171 643 H GLU 81 H GLU 81 -7.333 7.259 2.133 644 HA GLU 81 HA GLU 81 -8.353 5.501 3.080 645 HB2 GLU 81 HB2 GLU 81 -10.933 7.008 2.681 646 HB3 GLU 81 HB3 GLU 81 -10.728 5.539 3.632 647 HG2 GLU 81 HG2 GLU 81 -9.220 8.062 4.179 648 HG3 GLU 81 HG3 GLU 81 -10.769 7.718 4.908 649 H ASP 82 H ASP 82 -8.053 6.140 0.132 650 HA ASP 82 HA ASP 82 -9.975 4.696 -1.332 651 HB2 ASP 82 HB2 ASP 82 -8.622 5.079 -3.113 652 HB3 ASP 82 HB3 ASP 82 -7.724 6.094 -1.987 653 H THR 83 H THR 83 -10.070 2.485 -1.978 654 HA THR 83 HA THR 83 -8.258 0.722 -0.519 655 HB THR 83 HB THR 83 -10.900 0.005 -1.780 656 HG1 THR 83 HG1 THR 83 -10.313 1.427 0.453 657 HG21 THR 83 HG21 THR 83 -9.207 -1.356 0.326 658 HG22 THR 83 HG22 THR 83 -9.370 -1.876 -1.350 659 HG23 THR 83 HG23 THR 83 -10.766 -1.926 -0.271 660 H ILE 84 H ILE 84 -6.647 -0.015 -1.670 661 HA ILE 84 HA ILE 84 -6.715 -0.299 -4.542 662 HB ILE 84 HB ILE 84 -4.566 -1.192 -2.585 663 HG12 ILE 84 HG12 ILE 84 -5.014 1.272 -2.542 664 HG13 ILE 84 HG13 ILE 84 -3.390 0.850 -3.070 665 HG21 ILE 84 HG21 ILE 84 -4.501 -0.880 -5.571 666 HG22 ILE 84 HG22 ILE 84 -4.329 -2.371 -4.638 667 HG23 ILE 84 HG23 ILE 84 -3.083 -1.123 -4.550 668 HD11 ILE 84 HD11 ILE 84 -4.058 1.209 -5.388 669 HD12 ILE 84 HD12 ILE 84 -4.306 2.649 -4.403 670 HD13 ILE 84 HD13 ILE 84 -5.682 1.641 -4.851 671 H ASP 85 H ASP 85 -6.781 -2.220 -5.674 672 HA ASP 85 HA ASP 85 -7.715 -4.553 -4.161 673 HB2 ASP 85 HB2 ASP 85 -7.930 -3.756 -7.045 674 HB3 ASP 85 HB3 ASP 85 -8.350 -5.373 -6.484 675 H VAL 86 H VAL 86 -6.207 -6.031 -3.691 676 HA VAL 86 HA VAL 86 -4.117 -6.523 -5.709 677 HB VAL 86 HB VAL 86 -4.004 -7.052 -2.733 678 HG11 VAL 86 HG11 VAL 86 -2.749 -8.715 -4.033 679 HG12 VAL 86 HG12 VAL 86 -1.673 -7.658 -3.117 680 HG13 VAL 86 HG13 VAL 86 -1.884 -7.414 -4.852 681 HG21 VAL 86 HG21 VAL 86 -2.587 -5.029 -4.445 682 HG22 VAL 86 HG22 VAL 86 -2.294 -5.308 -2.728 683 HG23 VAL 86 HG23 VAL 86 -3.860 -4.698 -3.270 684 H PHE 87 H PHE 87 -3.819 -8.528 -6.478 685 HA PHE 87 HA PHE 87 -5.359 -10.724 -5.339 686 HB2 PHE 87 HB2 PHE 87 -5.940 -11.427 -7.749 687 HB3 PHE 87 HB3 PHE 87 -6.882 -10.132 -7.026 688 HD1 PHE 87 HD1 PHE 87 -6.531 -7.809 -7.744 689 HD2 PHE 87 HD2 PHE 87 -4.566 -11.059 -9.650 690 HE1 PHE 87 HE1 PHE 87 -6.031 -6.372 -9.659 691 HE2 PHE 87 HE2 PHE 87 -4.059 -9.622 -11.583 692 HZ PHE 87 HZ PHE 87 -4.794 -7.272 -11.591 693 H GLN 88 H GLN 88 -4.559 -12.857 -5.967 694 HA GLN 88 HA GLN 88 -1.705 -12.801 -6.005 695 HB2 GLN 88 HB2 GLN 88 -3.261 -14.372 -4.691 696 HB3 GLN 88 HB3 GLN 88 -3.415 -15.264 -6.196 697 HG2 GLN 88 HG2 GLN 88 -1.679 -16.422 -5.322 698 HG3 GLN 88 HG3 GLN 88 -0.759 -15.117 -6.072 699 HE21 GLN 88 HE21 GLN 88 -1.671 -13.169 -4.056 700 HE22 GLN 88 HE22 GLN 88 -0.765 -13.525 -2.632 701 H GLN 89 H GLN 89 -0.497 -12.797 -7.707 702 HA GLN 89 HA GLN 89 -1.464 -13.966 -10.242 703 HB2 GLN 89 HB2 GLN 89 0.594 -11.840 -9.692 704 HB3 GLN 89 HB3 GLN 89 0.395 -12.591 -11.268 705 HG2 GLN 89 HG2 GLN 89 -1.705 -11.036 -9.784 706 HG3 GLN 89 HG3 GLN 89 -0.722 -10.438 -11.117 707 HE21 GLN 89 HE21 GLN 89 -3.349 -12.428 -10.188 708 HE22 GLN 89 HE22 GLN 89 -3.956 -12.760 -11.770 709 H GLN 90 H GLN 90 -0.057 -15.207 -7.823 710 HA GLN 90 HA GLN 90 2.547 -15.941 -8.340 711 HB2 GLN 90 HB2 GLN 90 1.303 -16.511 -6.284 712 HB3 GLN 90 HB3 GLN 90 0.385 -17.706 -7.185 713 HG2 GLN 90 HG2 GLN 90 2.432 -18.960 -7.618 714 HG3 GLN 90 HG3 GLN 90 3.359 -17.759 -6.720 715 HE21 GLN 90 HE21 GLN 90 3.147 -17.661 -4.480 716 HE22 GLN 90 HE22 GLN 90 2.436 -18.943 -3.571 717 H THR 91 H THR 91 -0.411 -17.341 -9.649 718 HA THR 91 HA THR 91 1.090 -19.183 -11.290 719 HB THR 91 HB THR 91 -1.883 -18.600 -11.195 720 HG1 THR 91 HG1 THR 91 -0.207 -20.527 -9.942 721 HG21 THR 91 HG21 THR 91 -1.183 -19.566 -13.344 722 HG22 THR 91 HG22 THR 91 -2.117 -20.730 -12.400 723 HG23 THR 91 HG23 THR 91 -0.362 -20.872 -12.489 724 H GLY 92 H GLY 92 2.027 -18.448 -13.063 725 HA2 GLY 92 HA2 GLY 92 2.345 -17.362 -15.075 726 HA3 GLY 92 HA3 GLY 92 0.637 -16.957 -15.055 727 H GLY 93 H GLY 93 3.624 -16.052 -13.290 728 HA2 GLY 93 HA2 GLY 93 2.812 -13.256 -13.644 729 HA3 GLY 93 HA3 GLY 93 3.291 -13.849 -12.060 Start of MODEL 3 1 H MET 1 H MET 1 3.443 8.021 -21.565 2 HA MET 1 HA MET 1 2.156 8.881 -19.766 3 HB2 MET 1 HB2 MET 1 2.952 7.402 -17.943 4 HB3 MET 1 HB3 MET 1 2.945 6.600 -19.503 5 HG2 MET 1 HG2 MET 1 5.354 6.913 -19.682 6 HG3 MET 1 HG3 MET 1 5.367 7.744 -18.128 7 HE1 MET 1 HE1 MET 1 7.141 4.357 -17.315 8 HE2 MET 1 HE2 MET 1 7.236 6.112 -17.182 9 HE3 MET 1 HE3 MET 1 7.284 5.346 -18.768 10 H ALA 2 H ALA 2 5.646 9.505 -19.213 11 HA ALA 2 HA ALA 2 4.884 11.524 -17.218 12 HB1 ALA 2 HB1 ALA 2 6.395 9.780 -16.394 13 HB2 ALA 2 HB2 ALA 2 7.210 11.344 -16.433 14 HB3 ALA 2 HB3 ALA 2 7.538 10.147 -17.687 15 H ASP 3 H ASP 3 4.560 11.996 -19.950 16 HA ASP 3 HA ASP 3 6.754 13.277 -21.195 17 HB2 ASP 3 HB2 ASP 3 3.828 13.753 -21.735 18 HB3 ASP 3 HB3 ASP 3 5.173 13.959 -22.852 19 H GLU 4 H GLU 4 4.307 14.340 -18.975 20 HA GLU 4 HA GLU 4 4.451 17.090 -19.499 21 HB2 GLU 4 HB2 GLU 4 3.686 15.725 -16.924 22 HB3 GLU 4 HB3 GLU 4 3.308 17.386 -17.371 23 HG2 GLU 4 HG2 GLU 4 2.020 16.494 -19.309 24 HG3 GLU 4 HG3 GLU 4 2.285 14.874 -18.668 25 H LYS 5 H LYS 5 5.737 15.448 -16.640 26 HA LYS 5 HA LYS 5 8.225 16.874 -16.829 27 HB2 LYS 5 HB2 LYS 5 8.009 18.149 -14.775 28 HB3 LYS 5 HB3 LYS 5 6.731 18.607 -15.893 29 HG2 LYS 5 HG2 LYS 5 5.146 17.226 -14.675 30 HG3 LYS 5 HG3 LYS 5 6.421 16.719 -13.570 31 HD2 LYS 5 HD2 LYS 5 6.737 19.106 -12.949 32 HD3 LYS 5 HD3 LYS 5 5.331 19.501 -13.940 33 HE2 LYS 5 HE2 LYS 5 3.978 17.966 -12.567 34 HE3 LYS 5 HE3 LYS 5 5.387 17.664 -11.557 35 HZ1 LYS 5 HZ1 LYS 5 5.427 20.056 -11.034 36 HZ2 LYS 5 HZ2 LYS 5 3.997 19.307 -10.531 37 HZ3 LYS 5 HZ3 LYS 5 4.004 20.260 -11.923 38 HA PRO 6 HA PRO 6 9.396 13.429 -14.252 39 HB2 PRO 6 HB2 PRO 6 11.815 14.225 -13.434 40 HB3 PRO 6 HB3 PRO 6 11.516 13.816 -15.127 41 HG2 PRO 6 HG2 PRO 6 11.666 16.500 -13.809 42 HG3 PRO 6 HG3 PRO 6 12.337 15.987 -15.370 43 HD2 PRO 6 HD2 PRO 6 9.995 17.388 -15.083 44 HD3 PRO 6 HD3 PRO 6 10.352 16.325 -16.459 45 H LYS 7 H LYS 7 10.857 13.383 -12.005 46 HA LYS 7 HA LYS 7 9.437 15.112 -10.097 47 HB2 LYS 7 HB2 LYS 7 9.704 13.069 -8.507 48 HB3 LYS 7 HB3 LYS 7 8.405 13.074 -9.685 49 HG2 LYS 7 HG2 LYS 7 9.445 10.882 -9.575 50 HG3 LYS 7 HG3 LYS 7 9.732 11.619 -11.150 51 HD2 LYS 7 HD2 LYS 7 11.988 12.144 -10.577 52 HD3 LYS 7 HD3 LYS 7 11.725 11.692 -8.891 53 HE2 LYS 7 HE2 LYS 7 12.952 10.018 -10.340 54 HE3 LYS 7 HE3 LYS 7 11.576 9.399 -9.424 55 HZ1 LYS 7 HZ1 LYS 7 11.552 10.154 -12.300 56 HZ2 LYS 7 HZ2 LYS 7 10.237 9.548 -11.435 57 HZ3 LYS 7 HZ3 LYS 7 11.590 8.577 -11.697 58 H GLU 8 H GLU 8 12.125 15.198 -11.401 59 HA GLU 8 HA GLU 8 13.730 15.385 -8.959 60 HB2 GLU 8 HB2 GLU 8 15.682 14.588 -10.291 61 HB3 GLU 8 HB3 GLU 8 14.450 13.365 -10.007 62 HG2 GLU 8 HG2 GLU 8 13.575 13.729 -12.254 63 HG3 GLU 8 HG3 GLU 8 14.833 14.933 -12.546 64 H GLY 9 H GLY 9 15.903 16.618 -9.598 65 HA2 GLY 9 HA2 GLY 9 16.918 18.433 -10.594 66 HA3 GLY 9 HA3 GLY 9 15.465 18.689 -11.562 67 H VAL 10 H VAL 10 13.661 19.584 -10.574 68 HA VAL 10 HA VAL 10 14.079 20.927 -8.005 69 HB VAL 10 HB VAL 10 12.932 22.281 -10.468 70 HG11 VAL 10 HG11 VAL 10 11.876 23.029 -8.405 71 HG12 VAL 10 HG12 VAL 10 12.906 24.300 -9.064 72 HG13 VAL 10 HG13 VAL 10 13.457 23.340 -7.690 73 HG21 VAL 10 HG21 VAL 10 15.510 22.887 -9.028 74 HG22 VAL 10 HG22 VAL 10 14.912 23.644 -10.511 75 HG23 VAL 10 HG23 VAL 10 15.397 21.943 -10.511 76 H LYS 11 H LYS 11 12.350 20.521 -6.681 77 HA LYS 11 HA LYS 11 9.824 19.873 -7.924 78 HB2 LYS 11 HB2 LYS 11 11.112 17.757 -7.561 79 HB3 LYS 11 HB3 LYS 11 11.211 18.147 -5.854 80 HG2 LYS 11 HG2 LYS 11 8.584 17.916 -7.240 81 HG3 LYS 11 HG3 LYS 11 9.430 16.480 -6.656 82 HD2 LYS 11 HD2 LYS 11 8.776 18.848 -4.899 83 HD3 LYS 11 HD3 LYS 11 7.686 17.475 -5.094 84 HE2 LYS 11 HE2 LYS 11 10.546 17.143 -4.224 85 HE3 LYS 11 HE3 LYS 11 9.248 17.460 -3.076 86 HZ1 LYS 11 HZ1 LYS 11 9.384 15.149 -4.941 87 HZ2 LYS 11 HZ2 LYS 11 8.124 15.475 -3.851 88 HZ3 LYS 11 HZ3 LYS 11 9.670 15.109 -3.273 89 H THR 12 H THR 12 8.080 20.614 -6.667 90 HA THR 12 HA THR 12 8.595 21.301 -3.920 91 HB THR 12 HB THR 12 7.124 23.457 -4.634 92 HG1 THR 12 HG1 THR 12 8.652 22.686 -6.870 93 HG21 THR 12 HG21 THR 12 9.112 23.491 -3.228 94 HG22 THR 12 HG22 THR 12 9.187 24.768 -4.443 95 HG23 THR 12 HG23 THR 12 10.139 23.294 -4.648 96 H GLU 13 H GLU 13 6.773 21.081 -2.673 97 HA GLU 13 HA GLU 13 4.208 20.870 -3.903 98 HB2 GLU 13 HB2 GLU 13 3.790 18.606 -2.783 99 HB3 GLU 13 HB3 GLU 13 4.773 18.596 -4.239 100 HG2 GLU 13 HG2 GLU 13 6.795 18.551 -2.771 101 HG3 GLU 13 HG3 GLU 13 5.716 18.345 -1.393 102 H ASN 14 H ASN 14 2.475 20.553 -2.135 103 HA ASN 14 HA ASN 14 3.210 22.420 -0.032 104 HB2 ASN 14 HB2 ASN 14 0.479 21.255 -0.554 105 HB3 ASN 14 HB3 ASN 14 0.878 22.767 0.245 106 HD21 ASN 14 HD21 ASN 14 0.493 21.126 -2.761 107 HD22 ASN 14 HD22 ASN 14 0.517 22.529 -3.779 108 H ASN 15 H ASN 15 3.738 19.338 -0.184 109 HA ASN 15 HA ASN 15 3.773 17.537 1.207 110 HB2 ASN 15 HB2 ASN 15 3.081 19.576 3.351 111 HB3 ASN 15 HB3 ASN 15 3.596 17.923 3.661 112 HD21 ASN 15 HD21 ASN 15 5.527 18.020 1.408 113 HD22 ASN 15 HD22 ASN 15 6.855 18.957 1.982 114 H ASP 16 H ASP 16 1.554 18.461 -0.151 115 HA ASP 16 HA ASP 16 -0.844 17.936 1.365 116 HB2 ASP 16 HB2 ASP 16 -1.967 18.018 -0.950 117 HB3 ASP 16 HB3 ASP 16 -1.219 19.496 -0.360 118 H HIS 17 H HIS 17 -1.151 15.993 2.069 119 HA HIS 17 HA HIS 17 -0.535 13.762 0.284 120 HB2 HIS 17 HB2 HIS 17 0.254 12.472 2.211 121 HB3 HIS 17 HB3 HIS 17 1.195 13.942 2.003 122 HD1 HIS 17 HD1 HIS 17 1.055 15.715 3.864 123 HD2 HIS 17 HD2 HIS 17 -1.339 12.381 4.538 124 HE1 HIS 17 HE1 HIS 17 0.326 15.875 6.258 125 HE2 HIS 17 HE2 HIS 17 -0.926 13.740 6.693 126 H ILE 18 H ILE 18 -1.570 11.763 0.776 127 HA ILE 18 HA ILE 18 -4.136 12.059 2.138 128 HB ILE 18 HB ILE 18 -5.165 10.642 0.339 129 HG12 ILE 18 HG12 ILE 18 -2.652 11.331 -1.205 130 HG13 ILE 18 HG13 ILE 18 -3.033 9.742 -0.554 131 HG21 ILE 18 HG21 ILE 18 -4.086 13.306 -0.576 132 HG22 ILE 18 HG22 ILE 18 -5.542 13.053 0.387 133 HG23 ILE 18 HG23 ILE 18 -5.467 12.461 -1.274 134 HD11 ILE 18 HD11 ILE 18 -4.568 11.214 -2.685 135 HD12 ILE 18 HD12 ILE 18 -5.016 9.651 -2.000 136 HD13 ILE 18 HD13 ILE 18 -3.515 9.815 -2.911 137 H ASN 19 H ASN 19 -5.110 9.815 2.428 138 HA ASN 19 HA ASN 19 -2.983 7.959 3.242 139 HB2 ASN 19 HB2 ASN 19 -4.426 8.696 5.083 140 HB3 ASN 19 HB3 ASN 19 -5.857 8.232 4.176 141 HD21 ASN 19 HD21 ASN 19 -3.096 7.077 5.961 142 HD22 ASN 19 HD22 ASN 19 -3.688 5.478 6.220 143 H LEU 20 H LEU 20 -2.836 6.059 2.232 144 HA LEU 20 HA LEU 20 -5.074 5.305 0.477 145 HB2 LEU 20 HB2 LEU 20 -2.121 4.807 0.056 146 HB3 LEU 20 HB3 LEU 20 -3.391 4.148 -0.949 147 HG LEU 20 HG LEU 20 -2.455 5.974 -2.146 148 HD11 LEU 20 HD11 LEU 20 -4.879 5.866 -2.245 149 HD12 LEU 20 HD12 LEU 20 -4.294 7.524 -2.384 150 HD13 LEU 20 HD13 LEU 20 -4.988 6.958 -0.865 151 HD21 LEU 20 HD21 LEU 20 -2.081 8.146 -1.285 152 HD22 LEU 20 HD22 LEU 20 -1.392 6.998 -0.128 153 HD23 LEU 20 HD23 LEU 20 -2.946 7.764 0.204 154 H LYS 21 H LYS 21 -5.712 3.183 0.480 155 HA LYS 21 HA LYS 21 -4.359 1.487 2.450 156 HB2 LYS 21 HB2 LYS 21 -7.350 1.736 2.111 157 HB3 LYS 21 HB3 LYS 21 -6.524 0.635 3.207 158 HG2 LYS 21 HG2 LYS 21 -5.536 2.647 4.335 159 HG3 LYS 21 HG3 LYS 21 -6.605 3.637 3.339 160 HD2 LYS 21 HD2 LYS 21 -7.512 1.480 5.249 161 HD3 LYS 21 HD3 LYS 21 -7.549 3.212 5.574 162 HE2 LYS 21 HE2 LYS 21 -9.108 3.537 3.731 163 HE3 LYS 21 HE3 LYS 21 -9.041 1.818 3.352 164 HZ1 LYS 21 HZ1 LYS 21 -10.038 2.970 5.902 165 HZ2 LYS 21 HZ2 LYS 21 -10.003 1.331 5.500 166 HZ3 LYS 21 HZ3 LYS 21 -11.004 2.382 4.647 167 H VAL 22 H VAL 22 -4.248 -0.610 1.963 168 HA VAL 22 HA VAL 22 -5.142 -1.324 -0.739 169 HB VAL 22 HB VAL 22 -2.763 -0.999 -0.840 170 HG11 VAL 22 HG11 VAL 22 -2.399 -2.908 1.395 171 HG12 VAL 22 HG12 VAL 22 -2.499 -1.164 1.601 172 HG13 VAL 22 HG13 VAL 22 -1.203 -1.861 0.616 173 HG21 VAL 22 HG21 VAL 22 -1.949 -3.234 -1.397 174 HG22 VAL 22 HG22 VAL 22 -3.549 -2.923 -2.068 175 HG23 VAL 22 HG23 VAL 22 -3.376 -3.930 -0.631 176 H ALA 23 H ALA 23 -6.328 -3.093 -0.889 177 HA ALA 23 HA ALA 23 -6.435 -4.868 1.460 178 HB1 ALA 23 HB1 ALA 23 -8.772 -5.308 0.906 179 HB2 ALA 23 HB2 ALA 23 -8.666 -4.195 -0.458 180 HB3 ALA 23 HB3 ALA 23 -8.499 -3.589 1.189 181 H GLY 24 H GLY 24 -5.959 -6.910 1.098 182 HA2 GLY 24 HA2 GLY 24 -5.564 -7.749 -1.688 183 HA3 GLY 24 HA3 GLY 24 -4.825 -8.511 -0.284 184 H GLN 25 H GLN 25 -6.239 -9.842 -2.358 185 HA GLN 25 HA GLN 25 -8.842 -10.524 -1.794 186 HB2 GLN 25 HB2 GLN 25 -8.112 -12.848 -2.759 187 HB3 GLN 25 HB3 GLN 25 -8.124 -11.422 -3.777 188 HG2 GLN 25 HG2 GLN 25 -6.133 -12.775 -4.169 189 HG3 GLN 25 HG3 GLN 25 -5.715 -11.193 -3.523 190 HE21 GLN 25 HE21 GLN 25 -4.644 -11.050 -1.616 191 HE22 GLN 25 HE22 GLN 25 -4.107 -12.414 -0.703 192 H ASP 26 H ASP 26 -6.152 -11.181 0.148 193 HA ASP 26 HA ASP 26 -7.161 -13.498 1.495 194 HB2 ASP 26 HB2 ASP 26 -4.804 -13.239 1.499 195 HB3 ASP 26 HB3 ASP 26 -4.910 -11.565 2.023 196 H GLY 27 H GLY 27 -7.679 -10.107 1.718 197 HA2 GLY 27 HA2 GLY 27 -9.508 -9.254 2.999 198 HA3 GLY 27 HA3 GLY 27 -9.226 -10.524 4.183 199 H SER 28 H SER 28 -6.210 -9.646 3.549 200 HA SER 28 HA SER 28 -6.028 -7.997 5.884 201 HB2 SER 28 HB2 SER 28 -4.345 -9.752 5.362 202 HB3 SER 28 HB3 SER 28 -3.873 -8.849 3.925 203 HG SER 28 HG SER 28 -2.588 -7.789 5.160 204 H VAL 29 H VAL 29 -4.981 -5.884 5.888 205 HA VAL 29 HA VAL 29 -4.944 -4.427 3.400 206 HB VAL 29 HB VAL 29 -7.276 -4.184 3.846 207 HG11 VAL 29 HG11 VAL 29 -7.287 -4.883 6.156 208 HG12 VAL 29 HG12 VAL 29 -8.185 -3.379 5.944 209 HG13 VAL 29 HG13 VAL 29 -6.562 -3.348 6.639 210 HG21 VAL 29 HG21 VAL 29 -6.208 -2.121 3.125 211 HG22 VAL 29 HG22 VAL 29 -5.872 -1.690 4.802 212 HG23 VAL 29 HG23 VAL 29 -7.538 -1.767 4.229 213 H VAL 30 H VAL 30 -3.656 -2.625 3.463 214 HA VAL 30 HA VAL 30 -2.442 -1.973 6.069 215 HB VAL 30 HB VAL 30 -0.937 -1.741 3.479 216 HG11 VAL 30 HG11 VAL 30 0.020 -1.979 6.327 217 HG12 VAL 30 HG12 VAL 30 -0.176 -0.465 5.446 218 HG13 VAL 30 HG13 VAL 30 1.007 -1.651 4.902 219 HG21 VAL 30 HG21 VAL 30 0.188 -3.866 4.033 220 HG22 VAL 30 HG22 VAL 30 -1.521 -4.066 3.655 221 HG23 VAL 30 HG23 VAL 30 -0.980 -4.118 5.337 222 H GLN 31 H GLN 31 -2.221 0.197 6.522 223 HA GLN 31 HA GLN 31 -3.310 2.014 4.493 224 HB2 GLN 31 HB2 GLN 31 -3.120 2.478 7.474 225 HB3 GLN 31 HB3 GLN 31 -3.933 3.504 6.310 226 HG2 GLN 31 HG2 GLN 31 -5.727 2.407 7.207 227 HG3 GLN 31 HG3 GLN 31 -5.339 1.331 5.865 228 HE21 GLN 31 HE21 GLN 31 -4.661 -0.709 6.271 229 HE22 GLN 31 HE22 GLN 31 -4.590 -1.406 7.849 230 H PHE 32 H PHE 32 -2.256 3.906 3.977 231 HA PHE 32 HA PHE 32 0.439 4.322 5.122 232 HB2 PHE 32 HB2 PHE 32 -0.075 4.469 2.156 233 HB3 PHE 32 HB3 PHE 32 1.471 4.548 2.985 234 HD1 PHE 32 HD1 PHE 32 -1.298 2.362 1.999 235 HD2 PHE 32 HD2 PHE 32 2.646 2.568 3.581 236 HE1 PHE 32 HE1 PHE 32 -1.041 -0.032 1.667 237 HE2 PHE 32 HE2 PHE 32 2.905 0.142 3.251 238 HZ PHE 32 HZ PHE 32 1.039 -1.164 2.290 239 HH31 ALY 33 HH31 ALY 33 -6.223 12.002 6.199 240 HH32 ALY 33 HH32 ALY 33 -7.377 10.735 6.668 241 HH33 ALY 33 HH33 ALY 33 -6.251 10.482 5.317 242 HZ ALY 33 HZ ALY 33 -3.814 11.427 6.651 243 HE3 ALY 33 HE3 ALY 33 -2.700 9.797 8.248 244 HE2 ALY 33 HE2 ALY 33 -3.462 8.576 7.230 245 HD3 ALY 33 HD3 ALY 33 -2.223 9.353 5.308 246 HD2 ALY 33 HD2 ALY 33 -1.530 10.669 6.260 247 HG3 ALY 33 HG3 ALY 33 -0.473 8.987 7.738 248 HG2 ALY 33 HG2 ALY 33 -1.094 7.715 6.681 249 HB3 ALY 33 HB3 ALY 33 0.614 9.958 5.673 250 HB2 ALY 33 HB2 ALY 33 1.302 8.477 6.320 251 HCA ALY 33 HCA ALY 33 -0.675 8.466 4.043 252 H ALY 33 H ALY 33 1.267 6.423 4.892 253 H ILE 34 H ILE 34 0.031 8.980 2.027 254 HA ILE 34 HA ILE 34 2.829 9.858 1.796 255 HB ILE 34 HB ILE 34 3.139 8.825 -0.355 256 HG12 ILE 34 HG12 ILE 34 0.358 7.681 -0.109 257 HG13 ILE 34 HG13 ILE 34 0.771 9.062 -1.115 258 HG21 ILE 34 HG21 ILE 34 1.977 6.811 1.560 259 HG22 ILE 34 HG22 ILE 34 3.639 7.408 1.558 260 HG23 ILE 34 HG23 ILE 34 3.048 6.439 0.206 261 HD11 ILE 34 HD11 ILE 34 1.864 6.272 -1.425 262 HD12 ILE 34 HD12 ILE 34 2.236 7.656 -2.455 263 HD13 ILE 34 HD13 ILE 34 0.598 7.003 -2.411 264 H LYS 35 H LYS 35 3.158 11.262 -0.126 265 HA LYS 35 HA LYS 35 1.003 13.128 -0.247 266 HB2 LYS 35 HB2 LYS 35 3.732 13.128 -1.514 267 HB3 LYS 35 HB3 LYS 35 2.545 14.384 -1.832 268 HG2 LYS 35 HG2 LYS 35 3.902 15.281 -0.168 269 HG3 LYS 35 HG3 LYS 35 2.482 14.717 0.707 270 HD2 LYS 35 HD2 LYS 35 3.992 13.730 2.060 271 HD3 LYS 35 HD3 LYS 35 4.080 12.515 0.785 272 HE2 LYS 35 HE2 LYS 35 5.909 14.876 1.195 273 HE3 LYS 35 HE3 LYS 35 6.315 13.170 1.367 274 HZ1 LYS 35 HZ1 LYS 35 7.140 13.934 -0.704 275 HZ2 LYS 35 HZ2 LYS 35 5.668 14.635 -1.134 276 HZ3 LYS 35 HZ3 LYS 35 5.811 12.945 -1.059 277 H ARG 36 H ARG 36 -0.108 13.808 -2.109 278 HA ARG 36 HA ARG 36 -0.814 11.679 -3.864 279 HB2 ARG 36 HB2 ARG 36 -2.266 13.333 -4.985 280 HB3 ARG 36 HB3 ARG 36 -2.494 13.324 -3.250 281 HG2 ARG 36 HG2 ARG 36 -2.444 15.568 -3.626 282 HG3 ARG 36 HG3 ARG 36 -0.730 15.282 -3.353 283 HD2 ARG 36 HD2 ARG 36 -0.466 15.044 -5.840 284 HD3 ARG 36 HD3 ARG 36 -2.139 15.573 -6.002 285 HE ARG 36 HE ARG 36 -0.463 17.334 -4.451 286 HH11 ARG 36 HH11 ARG 36 -1.753 16.610 -7.642 287 HH12 ARG 36 HH12 ARG 36 -1.405 18.177 -8.274 288 HH21 ARG 36 HH21 ARG 36 -0.016 19.406 -5.293 289 HH22 ARG 36 HH22 ARG 36 -0.406 19.775 -6.933 290 H HIS 37 H HIS 37 1.789 13.699 -3.832 291 HA HIS 37 HA HIS 37 2.103 13.754 -6.740 292 HB2 HIS 37 HB2 HIS 37 2.257 15.934 -5.584 293 HB3 HIS 37 HB3 HIS 37 3.521 15.296 -4.545 294 HD1 HIS 37 HD1 HIS 37 5.760 15.982 -5.230 295 HD2 HIS 37 HD2 HIS 37 3.175 15.716 -8.479 296 HE1 HIS 37 HE1 HIS 37 7.113 16.648 -7.237 297 HE2 HIS 37 HE2 HIS 37 5.449 16.793 -9.097 298 H THR 38 H THR 38 2.846 12.115 -3.980 299 HA THR 38 HA THR 38 5.522 11.278 -4.633 300 HB THR 38 HB THR 38 3.601 10.967 -2.373 301 HG1 THR 38 HG1 THR 38 6.389 11.260 -2.140 302 HG21 THR 38 HG21 THR 38 4.946 9.220 -1.308 303 HG22 THR 38 HG22 THR 38 5.923 9.075 -2.772 304 HG23 THR 38 HG23 THR 38 4.208 8.649 -2.806 305 HA PRO 39 HA PRO 39 4.194 7.846 -7.159 306 HB2 PRO 39 HB2 PRO 39 6.323 6.154 -6.663 307 HB3 PRO 39 HB3 PRO 39 6.337 7.461 -7.851 308 HG2 PRO 39 HG2 PRO 39 7.430 7.408 -5.072 309 HG3 PRO 39 HG3 PRO 39 8.114 8.146 -6.532 310 HD2 PRO 39 HD2 PRO 39 6.883 9.605 -4.643 311 HD3 PRO 39 HD3 PRO 39 6.767 10.020 -6.367 312 H LEU 40 H LEU 40 2.711 6.369 -6.684 313 HA LEU 40 HA LEU 40 2.259 5.478 -4.038 314 HB2 LEU 40 HB2 LEU 40 0.536 3.955 -5.167 315 HB3 LEU 40 HB3 LEU 40 0.310 5.688 -5.265 316 HG LEU 40 HG LEU 40 1.270 5.608 -7.586 317 HD11 LEU 40 HD11 LEU 40 1.003 2.631 -7.217 318 HD12 LEU 40 HD12 LEU 40 2.510 3.523 -7.421 319 HD13 LEU 40 HD13 LEU 40 1.339 3.458 -8.738 320 HD21 LEU 40 HD21 LEU 40 -1.127 5.709 -7.196 321 HD22 LEU 40 HD22 LEU 40 -1.189 3.952 -7.069 322 HD23 LEU 40 HD23 LEU 40 -0.762 4.710 -8.602 323 H SER 41 H SER 41 4.276 4.269 -6.476 324 HA SER 41 HA SER 41 4.242 1.530 -6.066 325 HB2 SER 41 HB2 SER 41 6.749 1.778 -6.736 326 HB3 SER 41 HB3 SER 41 5.486 2.212 -7.887 327 HG SER 41 HG SER 41 6.557 4.016 -7.951 328 H LYS 42 H LYS 42 5.607 4.055 -4.109 329 HA LYS 42 HA LYS 42 7.423 2.562 -2.591 330 HB2 LYS 42 HB2 LYS 42 5.775 4.936 -1.699 331 HB3 LYS 42 HB3 LYS 42 7.253 4.357 -0.943 332 HG2 LYS 42 HG2 LYS 42 8.528 4.920 -2.929 333 HG3 LYS 42 HG3 LYS 42 7.055 5.422 -3.756 334 HD2 LYS 42 HD2 LYS 42 8.171 7.392 -2.975 335 HD3 LYS 42 HD3 LYS 42 6.739 7.151 -1.975 336 HE2 LYS 42 HE2 LYS 42 8.128 6.133 -0.239 337 HE3 LYS 42 HE3 LYS 42 9.554 6.367 -1.248 338 HZ1 LYS 42 HZ1 LYS 42 7.830 8.537 -0.182 339 HZ2 LYS 42 HZ2 LYS 42 9.215 8.749 -1.124 340 HZ3 LYS 42 HZ3 LYS 42 9.341 8.093 0.429 341 H LEU 43 H LEU 43 3.993 3.266 -2.048 342 HA LEU 43 HA LEU 43 3.849 1.705 0.337 343 HB2 LEU 43 HB2 LEU 43 1.562 2.179 0.432 344 HB3 LEU 43 HB3 LEU 43 2.252 3.587 -0.338 345 HG LEU 43 HG LEU 43 1.535 2.381 -2.555 346 HD11 LEU 43 HD11 LEU 43 -0.361 1.128 -0.565 347 HD12 LEU 43 HD12 LEU 43 0.849 0.271 -1.521 348 HD13 LEU 43 HD13 LEU 43 -0.512 1.060 -2.322 349 HD21 LEU 43 HD21 LEU 43 -0.462 3.644 -0.696 350 HD22 LEU 43 HD22 LEU 43 -0.628 3.501 -2.443 351 HD23 LEU 43 HD23 LEU 43 0.647 4.512 -1.759 352 H MET 44 H MET 44 3.299 1.049 -3.060 353 HA MET 44 HA MET 44 1.983 -1.419 -2.736 354 HB2 MET 44 HB2 MET 44 3.707 -0.500 -5.042 355 HB3 MET 44 HB3 MET 44 2.637 -1.891 -5.069 356 HG2 MET 44 HG2 MET 44 0.783 -0.210 -4.485 357 HG3 MET 44 HG3 MET 44 1.939 1.013 -5.000 358 HE1 MET 44 HE1 MET 44 3.034 1.003 -7.532 359 HE2 MET 44 HE2 MET 44 2.608 -0.214 -8.732 360 HE3 MET 44 HE3 MET 44 3.486 -0.682 -7.276 361 H LYS 45 H LYS 45 5.422 -0.653 -3.177 362 HA LYS 45 HA LYS 45 6.223 -3.372 -3.017 363 HB2 LYS 45 HB2 LYS 45 7.812 -0.848 -2.578 364 HB3 LYS 45 HB3 LYS 45 8.499 -2.464 -2.689 365 HG2 LYS 45 HG2 LYS 45 7.457 -2.633 -4.966 366 HG3 LYS 45 HG3 LYS 45 7.082 -0.917 -4.838 367 HD2 LYS 45 HD2 LYS 45 9.113 -1.143 -6.079 368 HD3 LYS 45 HD3 LYS 45 9.519 -0.488 -4.494 369 HE2 LYS 45 HE2 LYS 45 9.600 -3.448 -4.895 370 HE3 LYS 45 HE3 LYS 45 10.900 -2.469 -5.572 371 HZ1 LYS 45 HZ1 LYS 45 11.211 -1.517 -3.309 372 HZ2 LYS 45 HZ2 LYS 45 11.561 -3.163 -3.419 373 HZ3 LYS 45 HZ3 LYS 45 10.124 -2.662 -2.696 374 H ALA 46 H ALA 46 5.811 -0.798 -0.667 375 HA ALA 46 HA ALA 46 7.031 -2.094 1.516 376 HB1 ALA 46 HB1 ALA 46 5.793 -0.544 2.913 377 HB2 ALA 46 HB2 ALA 46 4.737 -0.136 1.561 378 HB3 ALA 46 HB3 ALA 46 6.446 0.295 1.506 379 H TYR 47 H TYR 47 3.774 -2.199 0.171 380 HA TYR 47 HA TYR 47 2.491 -3.692 2.133 381 HB2 TYR 47 HB2 TYR 47 1.252 -2.656 0.333 382 HB3 TYR 47 HB3 TYR 47 2.113 -3.612 -0.865 383 HD1 TYR 47 HD1 TYR 47 -0.476 -3.668 1.717 384 HD2 TYR 47 HD2 TYR 47 1.469 -5.896 -1.317 385 HE1 TYR 47 HE1 TYR 47 -2.272 -5.335 1.814 386 HE2 TYR 47 HE2 TYR 47 -0.320 -7.582 -1.242 387 HH TYR 47 HH TYR 47 -3.262 -7.044 0.449 388 H CYS 48 H CYS 48 4.094 -4.818 -0.845 389 HA CYS 48 HA CYS 48 3.706 -7.549 -0.399 390 HB2 CYS 48 HB2 CYS 48 6.019 -6.302 -1.896 391 HB3 CYS 48 HB3 CYS 48 5.303 -7.889 -2.149 392 HG CYS 48 HG CYS 48 3.792 -4.893 -2.841 393 H GLU 49 H GLU 49 6.392 -5.403 0.412 394 HA GLU 49 HA GLU 49 8.087 -7.445 1.360 395 HB2 GLU 49 HB2 GLU 49 8.117 -4.462 1.765 396 HB3 GLU 49 HB3 GLU 49 9.403 -5.538 2.310 397 HG2 GLU 49 HG2 GLU 49 9.818 -6.245 0.028 398 HG3 GLU 49 HG3 GLU 49 8.459 -5.281 -0.535 399 H ARG 50 H ARG 50 5.606 -5.541 2.978 400 HA ARG 50 HA ARG 50 6.460 -6.566 5.575 401 HB2 ARG 50 HB2 ARG 50 4.789 -5.152 6.572 402 HB3 ARG 50 HB3 ARG 50 5.644 -4.214 5.356 403 HG2 ARG 50 HG2 ARG 50 3.791 -4.498 3.811 404 HG3 ARG 50 HG3 ARG 50 2.944 -5.500 4.990 405 HD2 ARG 50 HD2 ARG 50 3.647 -2.573 5.292 406 HD3 ARG 50 HD3 ARG 50 2.060 -3.260 5.016 407 HE ARG 50 HE ARG 50 2.672 -4.481 7.265 408 HH11 ARG 50 HH11 ARG 50 3.221 -1.112 6.427 409 HH12 ARG 50 HH12 ARG 50 2.943 -0.535 8.032 410 HH21 ARG 50 HH21 ARG 50 2.345 -3.725 9.400 411 HH22 ARG 50 HH22 ARG 50 2.473 -2.033 9.740 412 H GLN 51 H GLN 51 3.883 -7.089 3.241 413 HA GLN 51 HA GLN 51 2.325 -8.777 4.956 414 HB2 GLN 51 HB2 GLN 51 2.246 -8.269 1.996 415 HB3 GLN 51 HB3 GLN 51 1.082 -9.283 2.853 416 HG2 GLN 51 HG2 GLN 51 1.617 -6.418 3.505 417 HG3 GLN 51 HG3 GLN 51 0.371 -6.954 2.379 418 HE21 GLN 51 HE21 GLN 51 1.413 -7.009 5.718 419 HE22 GLN 51 HE22 GLN 51 -0.125 -7.414 6.387 420 H GLY 52 H GLY 52 4.994 -9.236 2.895 421 HA2 GLY 52 HA2 GLY 52 6.273 -11.200 2.769 422 HA3 GLY 52 HA3 GLY 52 4.921 -12.085 3.472 423 H LEU 53 H LEU 53 4.935 -9.911 0.712 424 HA LEU 53 HA LEU 53 4.190 -12.162 -1.015 425 HB2 LEU 53 HB2 LEU 53 2.904 -9.460 -0.791 426 HB3 LEU 53 HB3 LEU 53 2.853 -10.345 -2.298 427 HG LEU 53 HG LEU 53 0.813 -10.671 -1.176 428 HD11 LEU 53 HD11 LEU 53 2.462 -13.162 -0.813 429 HD12 LEU 53 HD12 LEU 53 1.710 -12.633 -2.316 430 HD13 LEU 53 HD13 LEU 53 0.705 -13.086 -0.941 431 HD21 LEU 53 HD21 LEU 53 0.596 -11.609 1.049 432 HD22 LEU 53 HD22 LEU 53 1.497 -10.090 1.070 433 HD23 LEU 53 HD23 LEU 53 2.352 -11.625 1.218 434 H SER 54 H SER 54 4.582 -11.610 -3.350 435 HA SER 54 HA SER 54 6.928 -9.849 -3.588 436 HB2 SER 54 HB2 SER 54 6.260 -12.240 -5.302 437 HB3 SER 54 HB3 SER 54 7.768 -11.349 -5.263 438 HG SER 54 HG SER 54 7.621 -12.056 -2.867 439 H MET 55 H MET 55 7.127 -8.667 -5.593 440 HA MET 55 HA MET 55 4.751 -7.585 -6.599 441 HB2 MET 55 HB2 MET 55 7.626 -7.432 -7.378 442 HB3 MET 55 HB3 MET 55 6.419 -6.867 -8.536 443 HG2 MET 55 HG2 MET 55 6.717 -5.945 -5.703 444 HG3 MET 55 HG3 MET 55 7.266 -5.078 -7.140 445 HE1 MET 55 HE1 MET 55 5.212 -4.287 -4.702 446 HE2 MET 55 HE2 MET 55 4.038 -3.283 -5.553 447 HE3 MET 55 HE3 MET 55 5.765 -3.079 -5.864 448 H ARG 56 H ARG 56 6.620 -10.306 -7.574 449 HA ARG 56 HA ARG 56 5.234 -10.678 -10.085 450 HB2 ARG 56 HB2 ARG 56 6.490 -12.877 -10.085 451 HB3 ARG 56 HB3 ARG 56 7.483 -11.426 -10.084 452 HG2 ARG 56 HG2 ARG 56 6.907 -12.357 -7.410 453 HG3 ARG 56 HG3 ARG 56 7.708 -13.583 -8.394 454 HD2 ARG 56 HD2 ARG 56 8.666 -10.745 -8.126 455 HD3 ARG 56 HD3 ARG 56 9.257 -12.076 -7.127 456 HE ARG 56 HE ARG 56 9.435 -12.642 -9.918 457 HH11 ARG 56 HH11 ARG 56 11.041 -10.946 -7.309 458 HH12 ARG 56 HH12 ARG 56 12.613 -11.088 -8.004 459 HH21 ARG 56 HH21 ARG 56 11.514 -12.845 -10.854 460 HH22 ARG 56 HH22 ARG 56 12.887 -12.177 -10.045 461 H GLN 57 H GLN 57 4.741 -11.450 -6.836 462 HA GLN 57 HA GLN 57 3.150 -13.836 -7.312 463 HB2 GLN 57 HB2 GLN 57 4.390 -12.529 -5.010 464 HB3 GLN 57 HB3 GLN 57 2.798 -13.203 -4.675 465 HG2 GLN 57 HG2 GLN 57 4.812 -14.679 -4.255 466 HG3 GLN 57 HG3 GLN 57 3.485 -15.369 -5.187 467 HE21 GLN 57 HE21 GLN 57 6.675 -14.025 -5.371 468 HE22 GLN 57 HE22 GLN 57 7.090 -14.774 -6.877 469 H ILE 58 H ILE 58 2.704 -10.478 -6.793 470 HA ILE 58 HA ILE 58 -0.216 -10.947 -6.862 471 HB ILE 58 HB ILE 58 -0.691 -9.265 -5.235 472 HG12 ILE 58 HG12 ILE 58 2.289 -8.749 -5.192 473 HG13 ILE 58 HG13 ILE 58 1.024 -7.654 -5.747 474 HG21 ILE 58 HG21 ILE 58 -0.163 -11.495 -4.379 475 HG22 ILE 58 HG22 ILE 58 0.278 -10.231 -3.228 476 HG23 ILE 58 HG23 ILE 58 1.527 -11.017 -4.198 477 HD11 ILE 58 HD11 ILE 58 1.870 -7.030 -3.552 478 HD12 ILE 58 HD12 ILE 58 1.379 -8.601 -2.915 479 HD13 ILE 58 HD13 ILE 58 0.163 -7.464 -3.496 480 H ARG 59 H ARG 59 -1.356 -8.727 -7.083 481 HA ARG 59 HA ARG 59 0.028 -6.851 -8.800 482 HB2 ARG 59 HB2 ARG 59 -2.011 -8.745 -9.786 483 HB3 ARG 59 HB3 ARG 59 -2.256 -7.071 -10.255 484 HG2 ARG 59 HG2 ARG 59 0.226 -8.698 -10.763 485 HG3 ARG 59 HG3 ARG 59 -1.022 -8.310 -11.951 486 HD2 ARG 59 HD2 ARG 59 -0.549 -5.894 -11.535 487 HD3 ARG 59 HD3 ARG 59 0.806 -6.386 -10.528 488 HE ARG 59 HE ARG 59 0.709 -7.305 -13.303 489 HH11 ARG 59 HH11 ARG 59 2.238 -5.341 -10.822 490 HH12 ARG 59 HH12 ARG 59 3.580 -4.902 -11.818 491 HH21 ARG 59 HH21 ARG 59 2.516 -6.737 -14.610 492 HH22 ARG 59 HH22 ARG 59 3.744 -5.699 -13.973 493 H PHE 60 H PHE 60 -0.768 -4.829 -8.661 494 HA PHE 60 HA PHE 60 -2.947 -4.388 -6.762 495 HB2 PHE 60 HB2 PHE 60 -0.822 -2.504 -7.818 496 HB3 PHE 60 HB3 PHE 60 -2.076 -2.058 -6.670 497 HD1 PHE 60 HD1 PHE 60 0.799 -4.355 -7.140 498 HD2 PHE 60 HD2 PHE 60 -1.740 -2.338 -4.387 499 HE1 PHE 60 HE1 PHE 60 2.245 -5.069 -5.288 500 HE2 PHE 60 HE2 PHE 60 -0.294 -3.048 -2.533 501 HZ PHE 60 HZ PHE 60 1.696 -4.418 -2.980 502 H ARG 61 H ARG 61 -4.738 -3.185 -7.291 503 HA ARG 61 HA ARG 61 -5.005 -2.236 -10.041 504 HB2 ARG 61 HB2 ARG 61 -5.743 -4.505 -10.063 505 HB3 ARG 61 HB3 ARG 61 -6.756 -4.243 -8.653 506 HG2 ARG 61 HG2 ARG 61 -7.661 -2.397 -10.508 507 HG3 ARG 61 HG3 ARG 61 -7.320 -3.852 -11.454 508 HD2 ARG 61 HD2 ARG 61 -8.504 -4.989 -9.385 509 HD3 ARG 61 HD3 ARG 61 -9.263 -3.400 -9.280 510 HE ARG 61 HE ARG 61 -9.640 -3.993 -11.853 511 HH11 ARG 61 HH11 ARG 61 -10.110 -5.960 -8.959 512 HH12 ARG 61 HH12 ARG 61 -11.453 -6.828 -9.632 513 HH21 ARG 61 HH21 ARG 61 -11.429 -5.175 -12.736 514 HH22 ARG 61 HH22 ARG 61 -12.193 -6.388 -11.768 515 H PHE 62 H PHE 62 -6.431 -0.560 -10.274 516 HA PHE 62 HA PHE 62 -8.186 0.221 -8.101 517 HB2 PHE 62 HB2 PHE 62 -6.049 1.350 -7.577 518 HB3 PHE 62 HB3 PHE 62 -6.055 2.093 -9.171 519 HD1 PHE 62 HD1 PHE 62 -7.668 2.028 -5.878 520 HD2 PHE 62 HD2 PHE 62 -7.432 3.999 -9.637 521 HE1 PHE 62 HE1 PHE 62 -8.947 3.928 -4.965 522 HE2 PHE 62 HE2 PHE 62 -8.700 5.898 -8.735 523 HZ PHE 62 HZ PHE 62 -9.456 5.870 -6.394 524 H ASP 63 H ASP 63 -9.827 1.565 -8.802 525 HA ASP 63 HA ASP 63 -11.482 2.232 -10.294 526 HB2 ASP 63 HB2 ASP 63 -9.482 3.789 -10.793 527 HB3 ASP 63 HB3 ASP 63 -9.267 2.826 -12.227 528 H GLY 64 H GLY 64 -10.251 -0.507 -10.489 529 HA2 GLY 64 HA2 GLY 64 -11.012 -2.320 -11.666 530 HA3 GLY 64 HA3 GLY 64 -11.601 -1.266 -12.940 531 H GLN 65 H GLN 65 -8.833 0.051 -12.788 532 HA GLN 65 HA GLN 65 -7.602 -1.737 -14.758 533 HB2 GLN 65 HB2 GLN 65 -6.234 0.208 -15.395 534 HB3 GLN 65 HB3 GLN 65 -7.949 0.586 -15.447 535 HG2 GLN 65 HG2 GLN 65 -7.823 1.873 -13.510 536 HG3 GLN 65 HG3 GLN 65 -6.245 1.229 -13.073 537 HE21 GLN 65 HE21 GLN 65 -7.118 3.912 -13.392 538 HE22 GLN 65 HE22 GLN 65 -6.100 4.662 -14.567 539 HA PRO 66 HA PRO 66 -4.257 -2.804 -12.063 540 HB2 PRO 66 HB2 PRO 66 -2.274 -3.286 -13.833 541 HB3 PRO 66 HB3 PRO 66 -3.672 -4.356 -13.667 542 HG2 PRO 66 HG2 PRO 66 -3.097 -2.294 -15.740 543 HG3 PRO 66 HG3 PRO 66 -3.873 -3.876 -15.915 544 HD2 PRO 66 HD2 PRO 66 -5.226 -1.455 -15.781 545 HD3 PRO 66 HD3 PRO 66 -5.934 -3.042 -15.406 546 H ILE 67 H ILE 67 -2.608 -1.839 -10.967 547 HA ILE 67 HA ILE 67 -1.947 0.895 -11.741 548 HB ILE 67 HB ILE 67 -1.193 -0.595 -9.213 549 HG12 ILE 67 HG12 ILE 67 -3.570 1.213 -9.716 550 HG13 ILE 67 HG13 ILE 67 -3.630 -0.530 -9.469 551 HG21 ILE 67 HG21 ILE 67 0.164 1.380 -9.639 552 HG22 ILE 67 HG22 ILE 67 -0.909 1.643 -8.263 553 HG23 ILE 67 HG23 ILE 67 -1.294 2.355 -9.832 554 HD11 ILE 67 HD11 ILE 67 -4.263 0.596 -7.449 555 HD12 ILE 67 HD12 ILE 67 -2.777 1.543 -7.463 556 HD13 ILE 67 HD13 ILE 67 -2.709 -0.198 -7.206 557 H ASN 68 H ASN 68 0.264 1.672 -11.794 558 HA ASN 68 HA ASN 68 2.225 -0.439 -12.385 559 HB2 ASN 68 HB2 ASN 68 2.756 2.273 -13.426 560 HB3 ASN 68 HB3 ASN 68 3.020 0.710 -14.182 561 HD21 ASN 68 HD21 ASN 68 0.909 3.376 -13.788 562 HD22 ASN 68 HD22 ASN 68 -0.270 2.896 -14.926 563 H GLU 69 H GLU 69 4.452 0.219 -11.943 564 HA GLU 69 HA GLU 69 4.589 1.377 -9.337 565 HB2 GLU 69 HB2 GLU 69 7.043 0.978 -9.546 566 HB3 GLU 69 HB3 GLU 69 6.072 -0.459 -9.821 567 HG2 GLU 69 HG2 GLU 69 7.084 1.233 -12.078 568 HG3 GLU 69 HG3 GLU 69 8.061 -0.047 -11.361 569 H THR 70 H THR 70 4.811 2.537 -12.510 570 HA THR 70 HA THR 70 6.227 4.946 -11.700 571 HB THR 70 HB THR 70 7.017 3.894 -13.727 572 HG1 THR 70 HG1 THR 70 5.678 6.375 -14.010 573 HG21 THR 70 HG21 THR 70 4.230 4.326 -14.759 574 HG22 THR 70 HG22 THR 70 4.957 2.777 -14.335 575 HG23 THR 70 HG23 THR 70 5.590 3.705 -15.700 576 H ASP 71 H ASP 71 3.218 4.104 -11.232 577 HA ASP 71 HA ASP 71 1.932 6.408 -12.492 578 HB2 ASP 71 HB2 ASP 71 1.011 3.910 -12.256 579 HB3 ASP 71 HB3 ASP 71 0.427 4.552 -10.728 580 H THR 72 H THR 72 0.711 7.905 -11.224 581 HA THR 72 HA THR 72 1.621 8.095 -8.442 582 HB THR 72 HB THR 72 0.795 10.595 -8.924 583 HG1 THR 72 HG1 THR 72 1.767 10.966 -11.168 584 HG21 THR 72 HG21 THR 72 3.495 9.451 -9.663 585 HG22 THR 72 HG22 THR 72 2.980 10.014 -8.068 586 HG23 THR 72 HG23 THR 72 3.156 11.164 -9.396 587 HA PRO 73 HA PRO 73 -2.507 7.668 -6.953 588 HB2 PRO 73 HB2 PRO 73 -2.444 9.567 -4.932 589 HB3 PRO 73 HB3 PRO 73 -1.831 7.917 -4.783 590 HG2 PRO 73 HG2 PRO 73 -0.339 10.447 -5.362 591 HG3 PRO 73 HG3 PRO 73 0.123 9.083 -4.322 592 HD2 PRO 73 HD2 PRO 73 1.157 9.440 -6.749 593 HD3 PRO 73 HD3 PRO 73 0.809 7.810 -6.127 594 H ALA 74 H ALA 74 -1.262 10.835 -7.718 595 HA ALA 74 HA ALA 74 -3.818 12.118 -7.729 596 HB1 ALA 74 HB1 ALA 74 -1.150 13.018 -8.789 597 HB2 ALA 74 HB2 ALA 74 -1.833 13.384 -7.201 598 HB3 ALA 74 HB3 ALA 74 -2.587 14.035 -8.662 599 H GLN 75 H GLN 75 -2.159 10.124 -9.925 600 HA GLN 75 HA GLN 75 -3.043 11.260 -12.373 601 HB2 GLN 75 HB2 GLN 75 -1.295 9.301 -11.754 602 HB3 GLN 75 HB3 GLN 75 -2.691 8.326 -12.153 603 HG2 GLN 75 HG2 GLN 75 -1.353 8.538 -14.091 604 HG3 GLN 75 HG3 GLN 75 -2.830 9.469 -14.337 605 HE21 GLN 75 HE21 GLN 75 -2.711 11.735 -14.326 606 HE22 GLN 75 HE22 GLN 75 -1.211 12.566 -14.538 607 H LEU 76 H LEU 76 -4.248 8.797 -10.222 608 HA LEU 76 HA LEU 76 -6.651 8.414 -11.813 609 HB2 LEU 76 HB2 LEU 76 -6.226 7.125 -9.153 610 HB3 LEU 76 HB3 LEU 76 -7.028 6.492 -10.576 611 HG LEU 76 HG LEU 76 -4.459 6.710 -11.482 612 HD11 LEU 76 HD11 LEU 76 -2.974 5.836 -9.789 613 HD12 LEU 76 HD12 LEU 76 -4.265 5.916 -8.592 614 HD13 LEU 76 HD13 LEU 76 -3.630 7.400 -9.301 615 HD21 LEU 76 HD21 LEU 76 -5.996 4.764 -11.656 616 HD22 LEU 76 HD22 LEU 76 -5.562 4.323 -10.002 617 HD23 LEU 76 HD23 LEU 76 -4.336 4.318 -11.268 618 H GLU 77 H GLU 77 -5.632 10.588 -9.610 619 HA GLU 77 HA GLU 77 -6.581 12.131 -8.238 620 HB2 GLU 77 HB2 GLU 77 -9.092 11.407 -9.740 621 HB3 GLU 77 HB3 GLU 77 -8.862 12.848 -8.765 622 HG2 GLU 77 HG2 GLU 77 -7.094 13.584 -10.291 623 HG3 GLU 77 HG3 GLU 77 -7.376 12.150 -11.283 624 H MET 78 H MET 78 -6.406 9.483 -7.239 625 HA MET 78 HA MET 78 -8.821 8.718 -5.968 626 HB2 MET 78 HB2 MET 78 -7.482 7.075 -4.807 627 HB3 MET 78 HB3 MET 78 -6.975 7.163 -6.490 628 HG2 MET 78 HG2 MET 78 -5.271 8.903 -5.413 629 HG3 MET 78 HG3 MET 78 -5.512 7.832 -4.034 630 HE1 MET 78 HE1 MET 78 -6.166 5.120 -5.791 631 HE2 MET 78 HE2 MET 78 -5.224 5.104 -4.298 632 HE3 MET 78 HE3 MET 78 -4.577 4.357 -5.762 633 H GLU 79 H GLU 79 -9.096 8.608 -3.590 634 HA GLU 79 HA GLU 79 -8.191 11.127 -2.351 635 HB2 GLU 79 HB2 GLU 79 -10.328 11.203 -1.204 636 HB3 GLU 79 HB3 GLU 79 -10.598 11.073 -2.937 637 HG2 GLU 79 HG2 GLU 79 -10.826 8.562 -2.540 638 HG3 GLU 79 HG3 GLU 79 -10.922 8.966 -0.834 639 H ASP 80 H ASP 80 -8.166 11.038 0.114 640 HA ASP 80 HA ASP 80 -6.739 8.869 1.034 641 HB2 ASP 80 HB2 ASP 80 -7.130 9.822 3.285 642 HB3 ASP 80 HB3 ASP 80 -6.590 11.024 2.117 643 H GLU 81 H GLU 81 -7.167 7.182 2.173 644 HA GLU 81 HA GLU 81 -8.204 5.467 3.247 645 HB2 GLU 81 HB2 GLU 81 -10.755 7.059 2.923 646 HB3 GLU 81 HB3 GLU 81 -10.644 5.520 3.765 647 HG2 GLU 81 HG2 GLU 81 -8.962 6.602 5.289 648 HG3 GLU 81 HG3 GLU 81 -9.382 8.135 4.530 649 H ASP 82 H ASP 82 -7.996 6.092 0.281 650 HA ASP 82 HA ASP 82 -9.976 4.672 -1.121 651 HB2 ASP 82 HB2 ASP 82 -8.729 5.218 -2.914 652 HB3 ASP 82 HB3 ASP 82 -7.642 6.026 -1.790 653 H THR 83 H THR 83 -10.133 2.485 -1.784 654 HA THR 83 HA THR 83 -8.325 0.670 -0.388 655 HB THR 83 HB THR 83 -11.056 0.089 -1.544 656 HG1 THR 83 HG1 THR 83 -10.377 1.462 0.606 657 HG21 THR 83 HG21 THR 83 -10.921 -1.945 -0.186 658 HG22 THR 83 HG22 THR 83 -9.310 -1.483 0.365 659 HG23 THR 83 HG23 THR 83 -9.581 -1.881 -1.332 660 H ILE 84 H ILE 84 -6.739 0.021 -1.601 661 HA ILE 84 HA ILE 84 -6.871 -0.297 -4.478 662 HB ILE 84 HB ILE 84 -4.688 -1.228 -2.578 663 HG12 ILE 84 HG12 ILE 84 -5.123 1.232 -2.459 664 HG13 ILE 84 HG13 ILE 84 -3.511 0.821 -3.037 665 HG21 ILE 84 HG21 ILE 84 -4.533 -2.343 -4.691 666 HG22 ILE 84 HG22 ILE 84 -3.243 -1.146 -4.558 667 HG23 ILE 84 HG23 ILE 84 -4.663 -0.804 -5.551 668 HD11 ILE 84 HD11 ILE 84 -4.456 2.657 -4.295 669 HD12 ILE 84 HD12 ILE 84 -5.845 1.664 -4.736 670 HD13 ILE 84 HD13 ILE 84 -4.236 1.244 -5.327 671 H ASP 85 H ASP 85 -7.058 -2.205 -5.624 672 HA ASP 85 HA ASP 85 -7.917 -4.558 -4.092 673 HB2 ASP 85 HB2 ASP 85 -9.408 -3.653 -5.884 674 HB3 ASP 85 HB3 ASP 85 -8.141 -4.012 -7.053 675 H VAL 86 H VAL 86 -6.372 -6.000 -3.680 676 HA VAL 86 HA VAL 86 -4.292 -6.437 -5.719 677 HB VAL 86 HB VAL 86 -4.189 -6.934 -2.736 678 HG11 VAL 86 HG11 VAL 86 -2.068 -7.464 -4.818 679 HG12 VAL 86 HG12 VAL 86 -2.993 -8.696 -3.960 680 HG13 VAL 86 HG13 VAL 86 -1.885 -7.650 -3.072 681 HG21 VAL 86 HG21 VAL 86 -2.671 -5.045 -4.514 682 HG22 VAL 86 HG22 VAL 86 -2.431 -5.253 -2.778 683 HG23 VAL 86 HG23 VAL 86 -3.955 -4.608 -3.388 684 H PHE 87 H PHE 87 -3.958 -8.404 -6.539 685 HA PHE 87 HA PHE 87 -5.490 -10.627 -5.455 686 HB2 PHE 87 HB2 PHE 87 -5.873 -11.299 -7.957 687 HB3 PHE 87 HB3 PHE 87 -6.957 -10.158 -7.179 688 HD1 PHE 87 HD1 PHE 87 -6.819 -7.740 -7.725 689 HD2 PHE 87 HD2 PHE 87 -4.489 -10.662 -9.774 690 HE1 PHE 87 HE1 PHE 87 -6.419 -6.156 -9.526 691 HE2 PHE 87 HE2 PHE 87 -4.086 -9.056 -11.592 692 HZ PHE 87 HZ PHE 87 -5.053 -6.798 -11.471 693 H GLN 88 H GLN 88 -4.673 -12.801 -6.562 694 HA GLN 88 HA GLN 88 -1.792 -12.590 -6.261 695 HB2 GLN 88 HB2 GLN 88 -3.331 -14.167 -4.902 696 HB3 GLN 88 HB3 GLN 88 -3.359 -15.150 -6.359 697 HG2 GLN 88 HG2 GLN 88 -1.620 -16.136 -5.271 698 HG3 GLN 88 HG3 GLN 88 -0.745 -14.896 -6.168 699 HE21 GLN 88 HE21 GLN 88 -1.859 -12.797 -4.351 700 HE22 GLN 88 HE22 GLN 88 -0.910 -12.918 -2.913 701 H GLN 89 H GLN 89 -0.440 -12.981 -7.794 702 HA GLN 89 HA GLN 89 -1.377 -14.034 -10.394 703 HB2 GLN 89 HB2 GLN 89 0.942 -12.234 -9.716 704 HB3 GLN 89 HB3 GLN 89 0.728 -12.966 -11.302 705 HG2 GLN 89 HG2 GLN 89 -1.185 -11.087 -9.945 706 HG3 GLN 89 HG3 GLN 89 -0.091 -10.692 -11.270 707 HE21 GLN 89 HE21 GLN 89 -3.008 -10.567 -11.102 708 HE22 GLN 89 HE22 GLN 89 -3.595 -11.536 -12.403 709 H GLN 90 H GLN 90 -0.290 -15.360 -7.854 710 HA GLN 90 HA GLN 90 1.861 -16.900 -9.117 711 HB2 GLN 90 HB2 GLN 90 2.725 -15.897 -7.157 712 HB3 GLN 90 HB3 GLN 90 1.286 -16.279 -6.229 713 HG2 GLN 90 HG2 GLN 90 3.306 -17.609 -5.669 714 HG3 GLN 90 HG3 GLN 90 1.889 -18.574 -6.085 715 HE21 GLN 90 HE21 GLN 90 4.032 -16.930 -8.347 716 HE22 GLN 90 HE22 GLN 90 4.663 -18.363 -9.079 717 H THR 91 H THR 91 1.204 -18.778 -9.872 718 HA THR 91 HA THR 91 -0.358 -20.556 -8.273 719 HB THR 91 HB THR 91 -2.171 -19.230 -9.274 720 HG1 THR 91 HG1 THR 91 -2.509 -21.474 -9.022 721 HG21 THR 91 HG21 THR 91 -1.013 -18.423 -11.272 722 HG22 THR 91 HG22 THR 91 -2.527 -19.215 -11.710 723 HG23 THR 91 HG23 THR 91 -0.993 -20.057 -11.934 724 H GLY 92 H GLY 92 -0.094 -22.692 -8.936 725 HA2 GLY 92 HA2 GLY 92 0.499 -23.853 -11.249 726 HA3 GLY 92 HA3 GLY 92 2.041 -23.096 -10.866 727 H GLY 93 H GLY 93 0.450 -25.913 -10.693 728 HA2 GLY 93 HA2 GLY 93 1.755 -27.723 -9.642 729 HA3 GLY 93 HA3 GLY 93 1.854 -26.688 -8.222 Start of MODEL 4 1 H MET 1 H MET 1 14.246 1.583 11.907 2 HA MET 1 HA MET 1 14.953 2.688 9.936 3 HB2 MET 1 HB2 MET 1 12.788 2.954 8.806 4 HB3 MET 1 HB3 MET 1 12.785 1.544 9.852 5 HG2 MET 1 HG2 MET 1 11.558 2.830 11.545 6 HG3 MET 1 HG3 MET 1 11.525 4.211 10.449 7 HE1 MET 1 HE1 MET 1 7.803 2.996 10.413 8 HE2 MET 1 HE2 MET 1 8.880 4.373 10.640 9 HE3 MET 1 HE3 MET 1 8.912 3.031 11.783 10 H ALA 2 H ALA 2 13.230 4.823 12.153 11 HA ALA 2 HA ALA 2 14.471 7.091 10.761 12 HB1 ALA 2 HB1 ALA 2 12.045 7.073 10.356 13 HB2 ALA 2 HB2 ALA 2 12.528 8.454 11.340 14 HB3 ALA 2 HB3 ALA 2 11.759 7.058 12.095 15 H ASP 3 H ASP 3 14.926 5.247 13.222 16 HA ASP 3 HA ASP 3 14.981 7.241 15.365 17 HB2 ASP 3 HB2 ASP 3 15.758 4.316 15.495 18 HB3 ASP 3 HB3 ASP 3 15.449 5.392 16.848 19 H GLU 4 H GLU 4 16.880 5.940 12.941 20 HA GLU 4 HA GLU 4 19.427 6.151 14.276 21 HB2 GLU 4 HB2 GLU 4 18.912 5.802 11.319 22 HB3 GLU 4 HB3 GLU 4 20.371 5.396 12.206 23 HG2 GLU 4 HG2 GLU 4 19.464 3.319 11.946 24 HG3 GLU 4 HG3 GLU 4 18.749 3.771 13.492 25 H LYS 5 H LYS 5 18.273 8.548 14.554 26 HA LYS 5 HA LYS 5 18.352 10.769 14.198 27 HB2 LYS 5 HB2 LYS 5 21.007 9.963 13.061 28 HB3 LYS 5 HB3 LYS 5 20.512 11.642 13.203 29 HG2 LYS 5 HG2 LYS 5 20.192 11.237 15.659 30 HG3 LYS 5 HG3 LYS 5 20.934 9.653 15.422 31 HD2 LYS 5 HD2 LYS 5 22.588 11.277 16.199 32 HD3 LYS 5 HD3 LYS 5 22.963 10.739 14.560 33 HE2 LYS 5 HE2 LYS 5 21.979 12.771 13.649 34 HE3 LYS 5 HE3 LYS 5 21.521 13.299 15.264 35 HZ1 LYS 5 HZ1 LYS 5 23.543 14.389 14.511 36 HZ2 LYS 5 HZ2 LYS 5 24.304 12.900 14.294 37 HZ3 LYS 5 HZ3 LYS 5 23.867 13.405 15.845 38 HA PRO 6 HA PRO 6 16.780 11.080 9.980 39 HB2 PRO 6 HB2 PRO 6 14.903 13.008 10.974 40 HB3 PRO 6 HB3 PRO 6 14.573 11.354 10.466 41 HG2 PRO 6 HG2 PRO 6 14.384 12.292 13.069 42 HG3 PRO 6 HG3 PRO 6 14.562 10.588 12.619 43 HD2 PRO 6 HD2 PRO 6 16.598 12.524 13.607 44 HD3 PRO 6 HD3 PRO 6 16.442 10.779 13.911 45 H LYS 7 H LYS 7 16.179 13.190 8.739 46 HA LYS 7 HA LYS 7 18.257 14.950 8.552 47 HB2 LYS 7 HB2 LYS 7 16.827 16.448 7.297 48 HB3 LYS 7 HB3 LYS 7 16.417 14.792 6.895 49 HG2 LYS 7 HG2 LYS 7 14.860 16.436 8.877 50 HG3 LYS 7 HG3 LYS 7 14.472 16.373 7.161 51 HD2 LYS 7 HD2 LYS 7 14.183 13.924 7.367 52 HD3 LYS 7 HD3 LYS 7 14.512 14.066 9.098 53 HE2 LYS 7 HE2 LYS 7 12.557 15.449 9.399 54 HE3 LYS 7 HE3 LYS 7 12.259 15.465 7.661 55 HZ1 LYS 7 HZ1 LYS 7 10.842 13.887 8.839 56 HZ2 LYS 7 HZ2 LYS 7 12.196 13.037 9.372 57 HZ3 LYS 7 HZ3 LYS 7 11.839 13.113 7.722 58 H GLU 8 H GLU 8 15.502 15.186 10.734 59 HA GLU 8 HA GLU 8 16.947 16.581 12.643 60 HB2 GLU 8 HB2 GLU 8 15.795 18.726 12.673 61 HB3 GLU 8 HB3 GLU 8 16.653 18.491 11.162 62 HG2 GLU 8 HG2 GLU 8 14.476 17.808 10.145 63 HG3 GLU 8 HG3 GLU 8 13.699 18.327 11.639 64 H GLY 9 H GLY 9 15.439 17.319 14.472 65 HA2 GLY 9 HA2 GLY 9 13.808 15.048 15.078 66 HA3 GLY 9 HA3 GLY 9 14.092 16.432 16.115 67 H VAL 10 H VAL 10 13.079 18.461 14.422 68 HA VAL 10 HA VAL 10 10.291 18.059 14.958 69 HB VAL 10 HB VAL 10 11.271 20.256 15.397 70 HG11 VAL 10 HG11 VAL 10 11.676 20.464 12.421 71 HG12 VAL 10 HG12 VAL 10 12.942 20.303 13.637 72 HG13 VAL 10 HG13 VAL 10 11.939 21.753 13.595 73 HG21 VAL 10 HG21 VAL 10 8.891 20.161 14.913 74 HG22 VAL 10 HG22 VAL 10 9.215 20.331 13.187 75 HG23 VAL 10 HG23 VAL 10 9.582 21.658 14.288 76 H LYS 11 H LYS 11 8.776 17.419 13.631 77 HA LYS 11 HA LYS 11 9.452 17.044 10.809 78 HB2 LYS 11 HB2 LYS 11 7.173 15.908 12.399 79 HB3 LYS 11 HB3 LYS 11 7.570 15.521 10.732 80 HG2 LYS 11 HG2 LYS 11 9.768 14.675 11.525 81 HG3 LYS 11 HG3 LYS 11 9.192 14.905 13.178 82 HD2 LYS 11 HD2 LYS 11 7.886 13.237 11.075 83 HD3 LYS 11 HD3 LYS 11 8.882 12.600 12.394 84 HE2 LYS 11 HE2 LYS 11 6.222 14.027 12.593 85 HE3 LYS 11 HE3 LYS 11 6.559 12.348 13.006 86 HZ1 LYS 11 HZ1 LYS 11 7.643 14.730 14.418 87 HZ2 LYS 11 HZ2 LYS 11 7.978 13.123 14.813 88 HZ3 LYS 11 HZ3 LYS 11 6.411 13.721 14.977 89 H THR 12 H THR 12 8.245 17.896 9.216 90 HA THR 12 HA THR 12 5.856 19.400 9.857 91 HB THR 12 HB THR 12 7.670 21.032 10.236 92 HG1 THR 12 HG1 THR 12 6.131 22.277 9.529 93 HG21 THR 12 HG21 THR 12 8.349 20.585 7.325 94 HG22 THR 12 HG22 THR 12 9.342 20.106 8.701 95 HG23 THR 12 HG23 THR 12 9.056 21.815 8.373 96 H GLU 13 H GLU 13 4.464 19.581 8.130 97 HA GLU 13 HA GLU 13 5.158 17.866 5.888 98 HB2 GLU 13 HB2 GLU 13 2.530 18.933 6.880 99 HB3 GLU 13 HB3 GLU 13 2.694 18.025 5.384 100 HG2 GLU 13 HG2 GLU 13 3.403 17.036 8.136 101 HG3 GLU 13 HG3 GLU 13 1.960 16.606 7.218 102 H ASN 14 H ASN 14 3.177 20.816 6.109 103 HA ASN 14 HA ASN 14 2.831 22.547 4.656 104 HB2 ASN 14 HB2 ASN 14 5.692 22.084 3.756 105 HB3 ASN 14 HB3 ASN 14 4.762 23.567 3.592 106 HD21 ASN 14 HD21 ASN 14 6.602 21.566 5.669 107 HD22 ASN 14 HD22 ASN 14 6.689 22.641 7.021 108 H ASN 15 H ASN 15 2.529 19.673 3.758 109 HA ASN 15 HA ASN 15 2.388 20.213 0.875 110 HB2 ASN 15 HB2 ASN 15 3.160 17.988 0.332 111 HB3 ASN 15 HB3 ASN 15 4.354 18.732 1.390 112 HD21 ASN 15 HD21 ASN 15 4.736 17.847 3.382 113 HD22 ASN 15 HD22 ASN 15 4.017 16.366 3.943 114 H ASP 16 H ASP 16 1.059 18.355 -0.150 115 HA ASP 16 HA ASP 16 -1.271 17.876 1.558 116 HB2 ASP 16 HB2 ASP 16 -2.457 17.599 -0.778 117 HB3 ASP 16 HB3 ASP 16 -2.201 19.195 -0.089 118 H HIS 17 H HIS 17 -1.206 15.897 2.300 119 HA HIS 17 HA HIS 17 -0.498 13.768 0.422 120 HB2 HIS 17 HB2 HIS 17 0.531 12.486 2.212 121 HB3 HIS 17 HB3 HIS 17 1.279 14.072 2.134 122 HD1 HIS 17 HD1 HIS 17 1.410 15.326 4.298 123 HD2 HIS 17 HD2 HIS 17 -1.356 12.217 4.446 124 HE1 HIS 17 HE1 HIS 17 0.613 15.233 6.674 125 HE2 HIS 17 HE2 HIS 17 -1.243 13.539 6.659 126 H ILE 18 H ILE 18 -1.507 11.731 0.759 127 HA ILE 18 HA ILE 18 -4.045 11.939 2.218 128 HB ILE 18 HB ILE 18 -5.105 10.577 0.395 129 HG12 ILE 18 HG12 ILE 18 -2.685 11.410 -1.214 130 HG13 ILE 18 HG13 ILE 18 -2.949 9.786 -0.591 131 HG21 ILE 18 HG21 ILE 18 -5.491 12.471 -1.094 132 HG22 ILE 18 HG22 ILE 18 -4.092 13.298 -0.412 133 HG23 ILE 18 HG23 ILE 18 -5.504 12.976 0.597 134 HD11 ILE 18 HD11 ILE 18 -4.663 11.233 -2.600 135 HD12 ILE 18 HD12 ILE 18 -5.006 9.638 -1.932 136 HD13 ILE 18 HD13 ILE 18 -3.565 9.888 -2.916 137 H ASN 19 H ASN 19 -5.072 9.709 2.385 138 HA ASN 19 HA ASN 19 -2.993 7.796 3.193 139 HB2 ASN 19 HB2 ASN 19 -4.389 8.543 5.056 140 HB3 ASN 19 HB3 ASN 19 -5.845 8.170 4.149 141 HD21 ASN 19 HD21 ASN 19 -3.151 6.847 5.911 142 HD22 ASN 19 HD22 ASN 19 -3.818 5.275 6.133 143 H LEU 20 H LEU 20 -2.800 6.051 1.998 144 HA LEU 20 HA LEU 20 -5.119 5.225 0.392 145 HB2 LEU 20 HB2 LEU 20 -2.177 4.797 -0.163 146 HB3 LEU 20 HB3 LEU 20 -3.472 4.103 -1.111 147 HG LEU 20 HG LEU 20 -2.668 5.940 -2.358 148 HD11 LEU 20 HD11 LEU 20 -4.535 7.472 -2.466 149 HD12 LEU 20 HD12 LEU 20 -5.114 6.903 -0.903 150 HD13 LEU 20 HD13 LEU 20 -5.091 5.809 -2.286 151 HD21 LEU 20 HD21 LEU 20 -2.966 7.683 0.067 152 HD22 LEU 20 HD22 LEU 20 -2.308 8.142 -1.508 153 HD23 LEU 20 HD23 LEU 20 -1.440 6.994 -0.486 154 H LYS 21 H LYS 21 -5.755 3.126 0.496 155 HA LYS 21 HA LYS 21 -4.281 1.460 2.411 156 HB2 LYS 21 HB2 LYS 21 -7.288 1.613 2.146 157 HB3 LYS 21 HB3 LYS 21 -6.387 0.623 3.287 158 HG2 LYS 21 HG2 LYS 21 -5.500 2.674 4.327 159 HG3 LYS 21 HG3 LYS 21 -6.479 3.629 3.216 160 HD2 LYS 21 HD2 LYS 21 -7.542 1.645 5.221 161 HD3 LYS 21 HD3 LYS 21 -7.540 3.397 5.421 162 HE2 LYS 21 HE2 LYS 21 -8.903 3.536 3.328 163 HE3 LYS 21 HE3 LYS 21 -9.046 1.781 3.374 164 HZ1 LYS 21 HZ1 LYS 21 -10.964 2.742 4.395 165 HZ2 LYS 21 HZ2 LYS 21 -10.015 3.713 5.403 166 HZ3 LYS 21 HZ3 LYS 21 -10.029 2.034 5.620 167 H VAL 22 H VAL 22 -4.202 -0.683 1.938 168 HA VAL 22 HA VAL 22 -5.179 -1.372 -0.746 169 HB VAL 22 HB VAL 22 -2.562 -2.227 0.446 170 HG11 VAL 22 HG11 VAL 22 -3.684 -2.878 -2.223 171 HG12 VAL 22 HG12 VAL 22 -3.585 -3.966 -0.843 172 HG13 VAL 22 HG13 VAL 22 -2.109 -3.359 -1.592 173 HG21 VAL 22 HG21 VAL 22 -2.754 0.133 -0.434 174 HG22 VAL 22 HG22 VAL 22 -2.830 -0.638 -2.030 175 HG23 VAL 22 HG23 VAL 22 -1.428 -0.878 -0.993 176 H ALA 23 H ALA 23 -6.302 -3.189 -0.904 177 HA ALA 23 HA ALA 23 -6.355 -4.947 1.454 178 HB1 ALA 23 HB1 ALA 23 -8.690 -5.421 0.935 179 HB2 ALA 23 HB2 ALA 23 -8.610 -4.341 -0.457 180 HB3 ALA 23 HB3 ALA 23 -8.442 -3.691 1.174 181 H GLY 24 H GLY 24 -5.690 -6.931 1.093 182 HA2 GLY 24 HA2 GLY 24 -5.392 -7.813 -1.676 183 HA3 GLY 24 HA3 GLY 24 -4.607 -8.535 -0.275 184 H GLN 25 H GLN 25 -6.028 -9.933 -2.285 185 HA GLN 25 HA GLN 25 -8.618 -10.624 -1.702 186 HB2 GLN 25 HB2 GLN 25 -7.872 -12.967 -2.604 187 HB3 GLN 25 HB3 GLN 25 -7.901 -11.567 -3.658 188 HG2 GLN 25 HG2 GLN 25 -5.907 -12.894 -4.040 189 HG3 GLN 25 HG3 GLN 25 -5.480 -11.316 -3.391 190 HE21 GLN 25 HE21 GLN 25 -4.436 -11.188 -1.453 191 HE22 GLN 25 HE22 GLN 25 -3.894 -12.565 -0.559 192 H ASP 26 H ASP 26 -5.936 -11.229 0.292 193 HA ASP 26 HA ASP 26 -6.947 -13.522 1.672 194 HB2 ASP 26 HB2 ASP 26 -4.570 -13.109 1.672 195 HB3 ASP 26 HB3 ASP 26 -4.799 -11.507 2.363 196 H GLY 27 H GLY 27 -7.497 -10.141 1.818 197 HA2 GLY 27 HA2 GLY 27 -9.313 -9.196 3.030 198 HA3 GLY 27 HA3 GLY 27 -9.188 -10.516 4.189 199 H SER 28 H SER 28 -6.186 -9.370 3.322 200 HA SER 28 HA SER 28 -5.921 -7.980 5.858 201 HB2 SER 28 HB2 SER 28 -4.348 -9.807 5.351 202 HB3 SER 28 HB3 SER 28 -3.820 -8.943 3.909 203 HG SER 28 HG SER 28 -2.380 -8.229 5.269 204 H VAL 29 H VAL 29 -5.836 -5.838 5.925 205 HA VAL 29 HA VAL 29 -5.271 -4.367 3.429 206 HB VAL 29 HB VAL 29 -6.911 -3.340 5.728 207 HG11 VAL 29 HG11 VAL 29 -6.006 -1.609 4.314 208 HG12 VAL 29 HG12 VAL 29 -7.755 -1.716 4.105 209 HG13 VAL 29 HG13 VAL 29 -6.678 -2.397 2.886 210 HG21 VAL 29 HG21 VAL 29 -7.922 -4.672 3.218 211 HG22 VAL 29 HG22 VAL 29 -8.927 -3.842 4.406 212 HG23 VAL 29 HG23 VAL 29 -8.048 -5.302 4.860 213 H VAL 30 H VAL 30 -3.875 -2.669 3.500 214 HA VAL 30 HA VAL 30 -2.599 -2.035 6.093 215 HB VAL 30 HB VAL 30 -1.132 -1.991 3.455 216 HG11 VAL 30 HG11 VAL 30 -0.080 -2.004 6.282 217 HG12 VAL 30 HG12 VAL 30 -0.348 -0.548 5.328 218 HG13 VAL 30 HG13 VAL 30 0.837 -1.737 4.797 219 HG21 VAL 30 HG21 VAL 30 -1.111 -4.167 5.550 220 HG22 VAL 30 HG22 VAL 30 -0.026 -4.066 4.160 221 HG23 VAL 30 HG23 VAL 30 -1.757 -4.290 3.914 222 H GLN 31 H GLN 31 -2.310 0.142 6.492 223 HA GLN 31 HA GLN 31 -3.376 1.937 4.428 224 HB2 GLN 31 HB2 GLN 31 -3.127 2.492 7.388 225 HB3 GLN 31 HB3 GLN 31 -3.952 3.484 6.202 226 HG2 GLN 31 HG2 GLN 31 -5.756 2.456 7.125 227 HG3 GLN 31 HG3 GLN 31 -5.370 1.275 5.880 228 HE21 GLN 31 HE21 GLN 31 -4.643 -0.726 6.458 229 HE22 GLN 31 HE22 GLN 31 -4.586 -1.290 8.090 230 H PHE 32 H PHE 32 -2.265 3.778 3.831 231 HA PHE 32 HA PHE 32 0.439 4.146 4.958 232 HB2 PHE 32 HB2 PHE 32 -0.137 4.292 1.999 233 HB3 PHE 32 HB3 PHE 32 1.430 4.307 2.792 234 HD1 PHE 32 HD1 PHE 32 -1.436 2.211 1.840 235 HD2 PHE 32 HD2 PHE 32 2.522 2.273 3.410 236 HE1 PHE 32 HE1 PHE 32 -1.280 -0.212 1.527 237 HE2 PHE 32 HE2 PHE 32 2.683 -0.161 3.098 238 HZ PHE 32 HZ PHE 32 0.772 -1.406 2.154 239 HH31 ALY 33 HH31 ALY 33 -5.758 11.979 6.490 240 HH32 ALY 33 HH32 ALY 33 -4.795 11.950 4.999 241 HH33 ALY 33 HH33 ALY 33 -5.035 13.466 5.891 242 HZ ALY 33 HZ ALY 33 -4.058 10.281 7.395 243 HE3 ALY 33 HE3 ALY 33 -1.404 10.894 6.297 244 HE2 ALY 33 HE2 ALY 33 -1.609 10.386 7.973 245 HD3 ALY 33 HD3 ALY 33 -2.711 8.300 7.093 246 HD2 ALY 33 HD2 ALY 33 -2.198 8.817 5.481 247 HG3 ALY 33 HG3 ALY 33 -0.261 8.492 7.763 248 HG2 ALY 33 HG2 ALY 33 -0.688 7.162 6.687 249 HB3 ALY 33 HB3 ALY 33 0.337 9.791 5.669 250 HB2 ALY 33 HB2 ALY 33 1.411 8.486 6.141 251 HCA ALY 33 HCA ALY 33 -0.690 8.323 3.961 252 H ALY 33 H ALY 33 1.271 6.267 4.757 253 H ILE 34 H ILE 34 0.038 8.856 1.940 254 HA ILE 34 HA ILE 34 2.827 9.780 1.764 255 HB ILE 34 HB ILE 34 3.170 8.804 -0.402 256 HG12 ILE 34 HG12 ILE 34 0.421 7.568 -0.263 257 HG13 ILE 34 HG13 ILE 34 0.740 9.081 -1.103 258 HG21 ILE 34 HG21 ILE 34 1.965 6.748 1.445 259 HG22 ILE 34 HG22 ILE 34 3.634 7.324 1.471 260 HG23 ILE 34 HG23 ILE 34 3.041 6.397 0.090 261 HD11 ILE 34 HD11 ILE 34 2.223 7.971 -2.630 262 HD12 ILE 34 HD12 ILE 34 0.682 7.112 -2.588 263 HD13 ILE 34 HD13 ILE 34 2.081 6.466 -1.729 264 H LYS 35 H LYS 35 3.153 11.149 -0.244 265 HA LYS 35 HA LYS 35 1.069 13.110 -0.323 266 HB2 LYS 35 HB2 LYS 35 3.600 12.964 -1.970 267 HB3 LYS 35 HB3 LYS 35 2.557 14.363 -1.780 268 HG2 LYS 35 HG2 LYS 35 3.171 14.515 0.529 269 HG3 LYS 35 HG3 LYS 35 4.113 13.025 0.401 270 HD2 LYS 35 HD2 LYS 35 5.447 14.156 -1.403 271 HD3 LYS 35 HD3 LYS 35 4.623 15.654 -0.964 272 HE2 LYS 35 HE2 LYS 35 5.413 15.337 1.337 273 HE3 LYS 35 HE3 LYS 35 6.335 13.937 0.791 274 HZ1 LYS 35 HZ1 LYS 35 7.613 16.092 0.930 275 HZ2 LYS 35 HZ2 LYS 35 6.702 16.633 -0.388 276 HZ3 LYS 35 HZ3 LYS 35 7.705 15.289 -0.553 277 H ARG 36 H ARG 36 -0.086 13.748 -2.178 278 HA ARG 36 HA ARG 36 -1.027 11.599 -3.783 279 HB2 ARG 36 HB2 ARG 36 -2.294 13.392 -4.963 280 HB3 ARG 36 HB3 ARG 36 -2.552 13.328 -3.229 281 HG2 ARG 36 HG2 ARG 36 -1.299 15.242 -2.846 282 HG3 ARG 36 HG3 ARG 36 -0.512 15.147 -4.424 283 HD2 ARG 36 HD2 ARG 36 -2.597 15.620 -5.500 284 HD3 ARG 36 HD3 ARG 36 -3.420 15.714 -3.942 285 HE ARG 36 HE ARG 36 -1.342 17.484 -3.749 286 HH11 ARG 36 HH11 ARG 36 -4.049 17.110 -5.968 287 HH12 ARG 36 HH12 ARG 36 -4.249 18.810 -6.210 288 HH21 ARG 36 HH21 ARG 36 -1.634 19.742 -4.058 289 HH22 ARG 36 HH22 ARG 36 -2.876 20.313 -5.126 290 H HIS 37 H HIS 37 1.631 13.715 -4.099 291 HA HIS 37 HA HIS 37 1.685 13.424 -7.012 292 HB2 HIS 37 HB2 HIS 37 1.760 15.721 -6.155 293 HB3 HIS 37 HB3 HIS 37 3.139 15.321 -5.154 294 HD1 HIS 37 HD1 HIS 37 5.376 15.737 -6.193 295 HD2 HIS 37 HD2 HIS 37 2.347 15.539 -9.024 296 HE1 HIS 37 HE1 HIS 37 6.462 16.309 -8.383 297 HE2 HIS 37 HE2 HIS 37 4.559 16.418 -10.021 298 H THR 38 H THR 38 2.660 12.016 -4.296 299 HA THR 38 HA THR 38 5.376 11.361 -5.023 300 HB THR 38 HB THR 38 3.578 11.040 -2.679 301 HG1 THR 38 HG1 THR 38 5.537 12.611 -3.323 302 HG21 THR 38 HG21 THR 38 4.486 8.791 -2.982 303 HG22 THR 38 HG22 THR 38 5.158 9.568 -1.543 304 HG23 THR 38 HG23 THR 38 6.125 9.449 -3.017 305 HA PRO 39 HA PRO 39 4.229 7.678 -7.263 306 HB2 PRO 39 HB2 PRO 39 6.445 6.143 -6.650 307 HB3 PRO 39 HB3 PRO 39 6.396 7.360 -7.931 308 HG2 PRO 39 HG2 PRO 39 7.424 7.590 -5.133 309 HG3 PRO 39 HG3 PRO 39 8.140 8.202 -6.639 310 HD2 PRO 39 HD2 PRO 39 6.832 9.843 -4.996 311 HD3 PRO 39 HD3 PRO 39 6.651 9.996 -6.758 312 H LEU 40 H LEU 40 2.714 6.346 -6.555 313 HA LEU 40 HA LEU 40 2.489 5.538 -3.858 314 HB2 LEU 40 HB2 LEU 40 0.518 4.440 -4.422 315 HB3 LEU 40 HB3 LEU 40 0.569 5.848 -5.448 316 HG LEU 40 HG LEU 40 1.050 2.984 -6.247 317 HD11 LEU 40 HD11 LEU 40 -0.934 3.424 -7.679 318 HD12 LEU 40 HD12 LEU 40 -1.134 4.955 -6.829 319 HD13 LEU 40 HD13 LEU 40 -1.245 3.430 -5.944 320 HD21 LEU 40 HD21 LEU 40 1.232 3.808 -8.547 321 HD22 LEU 40 HD22 LEU 40 2.554 4.364 -7.523 322 HD23 LEU 40 HD23 LEU 40 1.235 5.467 -7.942 323 H SER 41 H SER 41 4.247 4.295 -6.415 324 HA SER 41 HA SER 41 4.422 1.580 -6.054 325 HB2 SER 41 HB2 SER 41 5.643 2.758 -7.803 326 HB3 SER 41 HB3 SER 41 6.677 3.518 -6.595 327 HG SER 41 HG SER 41 7.806 1.817 -7.323 328 H LYS 42 H LYS 42 5.741 4.129 -4.040 329 HA LYS 42 HA LYS 42 7.517 2.575 -2.525 330 HB2 LYS 42 HB2 LYS 42 5.945 4.997 -1.661 331 HB3 LYS 42 HB3 LYS 42 7.316 4.316 -0.800 332 HG2 LYS 42 HG2 LYS 42 8.577 4.699 -3.030 333 HG3 LYS 42 HG3 LYS 42 7.252 5.808 -3.378 334 HD2 LYS 42 HD2 LYS 42 9.098 5.903 -0.992 335 HD3 LYS 42 HD3 LYS 42 9.099 7.013 -2.361 336 HE2 LYS 42 HE2 LYS 42 6.931 7.850 -1.748 337 HE3 LYS 42 HE3 LYS 42 6.768 6.627 -0.487 338 HZ1 LYS 42 HZ1 LYS 42 7.415 8.821 0.369 339 HZ2 LYS 42 HZ2 LYS 42 8.850 8.737 -0.515 340 HZ3 LYS 42 HZ3 LYS 42 8.556 7.627 0.720 341 H LEU 43 H LEU 43 4.103 3.387 -2.001 342 HA LEU 43 HA LEU 43 3.937 1.841 0.384 343 HB2 LEU 43 HB2 LEU 43 1.666 2.411 0.501 344 HB3 LEU 43 HB3 LEU 43 2.445 3.809 -0.205 345 HG LEU 43 HG LEU 43 1.664 2.736 -2.472 346 HD11 LEU 43 HD11 LEU 43 -0.330 1.555 -0.538 347 HD12 LEU 43 HD12 LEU 43 0.841 0.646 -1.489 348 HD13 LEU 43 HD13 LEU 43 -0.450 1.537 -2.299 349 HD21 LEU 43 HD21 LEU 43 0.929 4.887 -1.649 350 HD22 LEU 43 HD22 LEU 43 -0.206 4.105 -0.553 351 HD23 LEU 43 HD23 LEU 43 -0.442 3.987 -2.297 352 H MET 44 H MET 44 3.246 1.242 -3.025 353 HA MET 44 HA MET 44 1.920 -1.206 -2.651 354 HB2 MET 44 HB2 MET 44 3.588 -0.290 -4.996 355 HB3 MET 44 HB3 MET 44 2.555 -1.714 -4.999 356 HG2 MET 44 HG2 MET 44 0.657 -0.117 -4.392 357 HG3 MET 44 HG3 MET 44 1.762 1.170 -4.861 358 HE1 MET 44 HE1 MET 44 2.773 1.402 -7.349 359 HE2 MET 44 HE2 MET 44 2.436 0.238 -8.632 360 HE3 MET 44 HE3 MET 44 3.372 -0.252 -7.219 361 H LYS 45 H LYS 45 5.378 -0.532 -3.224 362 HA LYS 45 HA LYS 45 6.141 -3.247 -3.027 363 HB2 LYS 45 HB2 LYS 45 7.725 -0.709 -2.676 364 HB3 LYS 45 HB3 LYS 45 8.444 -2.315 -2.618 365 HG2 LYS 45 HG2 LYS 45 7.328 -2.658 -4.908 366 HG3 LYS 45 HG3 LYS 45 7.191 -0.901 -4.934 367 HD2 LYS 45 HD2 LYS 45 9.553 -0.641 -4.810 368 HD3 LYS 45 HD3 LYS 45 9.780 -2.356 -4.452 369 HE2 LYS 45 HE2 LYS 45 10.328 -2.072 -6.742 370 HE3 LYS 45 HE3 LYS 45 8.747 -2.850 -6.675 371 HZ1 LYS 45 HZ1 LYS 45 8.588 -1.187 -8.301 372 HZ2 LYS 45 HZ2 LYS 45 9.373 -0.040 -7.346 373 HZ3 LYS 45 HZ3 LYS 45 7.804 -0.530 -6.945 374 H ALA 46 H ALA 46 5.736 -0.675 -0.691 375 HA ALA 46 HA ALA 46 6.906 -1.948 1.518 376 HB1 ALA 46 HB1 ALA 46 4.655 0.061 1.471 377 HB2 ALA 46 HB2 ALA 46 6.374 0.449 1.457 378 HB3 ALA 46 HB3 ALA 46 5.661 -0.337 2.864 379 H TYR 47 H TYR 47 3.664 -2.107 0.085 380 HA TYR 47 HA TYR 47 2.405 -3.499 2.146 381 HB2 TYR 47 HB2 TYR 47 1.085 -2.468 0.435 382 HB3 TYR 47 HB3 TYR 47 1.879 -3.402 -0.825 383 HD1 TYR 47 HD1 TYR 47 1.313 -5.770 -1.151 384 HD2 TYR 47 HD2 TYR 47 -0.691 -3.433 1.773 385 HE1 TYR 47 HE1 TYR 47 -0.445 -7.474 -1.019 386 HE2 TYR 47 HE2 TYR 47 -2.471 -5.137 1.927 387 HH TYR 47 HH TYR 47 -2.142 -8.224 0.733 388 H CYS 48 H CYS 48 3.946 -4.721 -0.865 389 HA CYS 48 HA CYS 48 3.389 -7.417 -0.253 390 HB2 CYS 48 HB2 CYS 48 5.045 -7.937 -2.048 391 HB3 CYS 48 HB3 CYS 48 3.799 -6.803 -2.540 392 HG CYS 48 HG CYS 48 6.349 -5.069 -1.436 393 H GLU 49 H GLU 49 6.128 -5.329 0.489 394 HA GLU 49 HA GLU 49 7.844 -7.400 1.334 395 HB2 GLU 49 HB2 GLU 49 7.796 -4.458 1.966 396 HB3 GLU 49 HB3 GLU 49 9.055 -5.549 2.545 397 HG2 GLU 49 HG2 GLU 49 9.450 -6.147 0.124 398 HG3 GLU 49 HG3 GLU 49 8.406 -4.787 -0.282 399 H ARG 50 H ARG 50 5.508 -5.393 3.095 400 HA ARG 50 HA ARG 50 6.245 -6.580 5.615 401 HB2 ARG 50 HB2 ARG 50 4.588 -5.194 6.615 402 HB3 ARG 50 HB3 ARG 50 5.363 -4.232 5.369 403 HG2 ARG 50 HG2 ARG 50 3.444 -4.788 3.864 404 HG3 ARG 50 HG3 ARG 50 2.656 -5.533 5.255 405 HD2 ARG 50 HD2 ARG 50 3.379 -2.636 4.854 406 HD3 ARG 50 HD3 ARG 50 1.797 -3.353 5.086 407 HE ARG 50 HE ARG 50 2.501 -3.861 7.397 408 HH11 ARG 50 HH11 ARG 50 4.208 -1.341 5.634 409 HH12 ARG 50 HH12 ARG 50 4.646 -0.458 7.049 410 HH21 ARG 50 HH21 ARG 50 3.073 -2.661 9.287 411 HH22 ARG 50 HH22 ARG 50 3.986 -1.202 9.132 412 H GLN 51 H GLN 51 3.914 -7.198 3.113 413 HA GLN 51 HA GLN 51 2.348 -8.970 4.741 414 HB2 GLN 51 HB2 GLN 51 2.250 -8.185 1.857 415 HB3 GLN 51 HB3 GLN 51 1.277 -9.508 2.485 416 HG2 GLN 51 HG2 GLN 51 1.227 -6.695 3.532 417 HG3 GLN 51 HG3 GLN 51 0.064 -7.377 2.392 418 HE21 GLN 51 HE21 GLN 51 1.216 -7.412 5.679 419 HE22 GLN 51 HE22 GLN 51 -0.133 -8.257 6.348 420 H GLY 52 H GLY 52 5.185 -9.284 2.768 421 HA2 GLY 52 HA2 GLY 52 6.504 -11.197 2.811 422 HA3 GLY 52 HA3 GLY 52 5.094 -12.137 3.274 423 H LEU 53 H LEU 53 4.320 -10.088 0.747 424 HA LEU 53 HA LEU 53 4.458 -12.347 -1.114 425 HB2 LEU 53 HB2 LEU 53 2.793 -9.837 -1.143 426 HB3 LEU 53 HB3 LEU 53 2.906 -10.906 -2.522 427 HG LEU 53 HG LEU 53 0.888 -11.445 -1.459 428 HD11 LEU 53 HD11 LEU 53 2.886 -13.484 -0.513 429 HD12 LEU 53 HD12 LEU 53 2.180 -13.392 -2.127 430 HD13 LEU 53 HD13 LEU 53 1.155 -13.734 -0.733 431 HD21 LEU 53 HD21 LEU 53 1.311 -10.303 0.652 432 HD22 LEU 53 HD22 LEU 53 2.367 -11.625 1.158 433 HD23 LEU 53 HD23 LEU 53 0.643 -11.919 0.904 434 H SER 54 H SER 54 4.636 -11.577 -3.484 435 HA SER 54 HA SER 54 6.824 -9.640 -3.692 436 HB2 SER 54 HB2 SER 54 6.546 -12.383 -4.871 437 HB3 SER 54 HB3 SER 54 7.578 -11.185 -5.638 438 HG SER 54 HG SER 54 8.246 -12.757 -3.682 439 H MET 55 H MET 55 7.018 -8.630 -5.832 440 HA MET 55 HA MET 55 4.552 -7.666 -6.775 441 HB2 MET 55 HB2 MET 55 7.374 -7.412 -7.736 442 HB3 MET 55 HB3 MET 55 6.054 -6.821 -8.737 443 HG2 MET 55 HG2 MET 55 6.590 -5.999 -5.897 444 HG3 MET 55 HG3 MET 55 7.016 -5.071 -7.335 445 HE1 MET 55 HE1 MET 55 5.098 -4.415 -4.693 446 HE2 MET 55 HE2 MET 55 3.891 -3.368 -5.440 447 HE3 MET 55 HE3 MET 55 5.601 -3.156 -5.821 448 H ARG 56 H ARG 56 6.467 -10.359 -7.783 449 HA ARG 56 HA ARG 56 4.951 -10.695 -10.227 450 HB2 ARG 56 HB2 ARG 56 6.261 -12.842 -10.477 451 HB3 ARG 56 HB3 ARG 56 7.216 -11.373 -10.459 452 HG2 ARG 56 HG2 ARG 56 6.856 -12.806 -7.886 453 HG3 ARG 56 HG3 ARG 56 7.911 -13.534 -9.101 454 HD2 ARG 56 HD2 ARG 56 8.153 -10.748 -7.959 455 HD3 ARG 56 HD3 ARG 56 9.194 -12.121 -7.589 456 HE ARG 56 HE ARG 56 9.262 -11.760 -10.342 457 HH11 ARG 56 HH11 ARG 56 10.190 -9.958 -7.477 458 HH12 ARG 56 HH12 ARG 56 11.474 -9.116 -8.264 459 HH21 ARG 56 HH21 ARG 56 10.952 -10.635 -11.392 460 HH22 ARG 56 HH22 ARG 56 11.914 -9.505 -10.500 461 H GLN 57 H GLN 57 4.617 -11.463 -7.007 462 HA GLN 57 HA GLN 57 2.996 -13.842 -7.431 463 HB2 GLN 57 HB2 GLN 57 4.300 -12.538 -5.121 464 HB3 GLN 57 HB3 GLN 57 2.784 -13.371 -4.781 465 HG2 GLN 57 HG2 GLN 57 4.699 -14.804 -4.388 466 HG3 GLN 57 HG3 GLN 57 3.708 -15.425 -5.707 467 HE21 GLN 57 HE21 GLN 57 4.501 -15.255 -7.826 468 HE22 GLN 57 HE22 GLN 57 6.183 -15.066 -8.146 469 H ILE 58 H ILE 58 2.609 -10.470 -6.848 470 HA ILE 58 HA ILE 58 -0.311 -10.863 -6.840 471 HB ILE 58 HB ILE 58 -0.703 -9.243 -5.122 472 HG12 ILE 58 HG12 ILE 58 2.296 -8.820 -5.107 473 HG13 ILE 58 HG13 ILE 58 1.061 -7.666 -5.596 474 HG21 ILE 58 HG21 ILE 58 0.262 -10.330 -3.172 475 HG22 ILE 58 HG22 ILE 58 1.471 -11.105 -4.198 476 HG23 ILE 58 HG23 ILE 58 -0.232 -11.529 -4.377 477 HD11 ILE 58 HD11 ILE 58 0.231 -7.575 -3.304 478 HD12 ILE 58 HD12 ILE 58 1.929 -7.117 -3.407 479 HD13 ILE 58 HD13 ILE 58 1.483 -8.713 -2.807 480 H ARG 59 H ARG 59 -1.356 -8.584 -6.954 481 HA ARG 59 HA ARG 59 0.122 -6.646 -8.460 482 HB2 ARG 59 HB2 ARG 59 -1.715 -8.504 -9.806 483 HB3 ARG 59 HB3 ARG 59 -1.995 -6.810 -10.175 484 HG2 ARG 59 HG2 ARG 59 0.630 -8.261 -10.494 485 HG3 ARG 59 HG3 ARG 59 -0.496 -7.864 -11.795 486 HD2 ARG 59 HD2 ARG 59 -0.245 -5.469 -11.213 487 HD3 ARG 59 HD3 ARG 59 0.972 -5.913 -10.023 488 HE ARG 59 HE ARG 59 2.026 -6.994 -12.194 489 HH11 ARG 59 HH11 ARG 59 0.578 -3.824 -11.744 490 HH12 ARG 59 HH12 ARG 59 1.547 -3.067 -12.949 491 HH21 ARG 59 HH21 ARG 59 3.328 -5.966 -13.796 492 HH22 ARG 59 HH22 ARG 59 3.114 -4.280 -14.116 493 H PHE 60 H PHE 60 -0.724 -4.650 -8.371 494 HA PHE 60 HA PHE 60 -3.004 -4.294 -6.588 495 HB2 PHE 60 HB2 PHE 60 -0.903 -2.313 -7.522 496 HB3 PHE 60 HB3 PHE 60 -2.184 -1.970 -6.366 497 HD1 PHE 60 HD1 PHE 60 0.718 -4.230 -6.910 498 HD2 PHE 60 HD2 PHE 60 -1.780 -2.247 -4.077 499 HE1 PHE 60 HE1 PHE 60 2.186 -4.979 -5.088 500 HE2 PHE 60 HE2 PHE 60 -0.304 -2.995 -2.265 501 HZ PHE 60 HZ PHE 60 1.669 -4.366 -2.767 502 H ARG 61 H ARG 61 -4.780 -3.095 -7.185 503 HA ARG 61 HA ARG 61 -4.929 -2.077 -9.917 504 HB2 ARG 61 HB2 ARG 61 -5.611 -4.306 -10.207 505 HB3 ARG 61 HB3 ARG 61 -6.586 -4.285 -8.748 506 HG2 ARG 61 HG2 ARG 61 -7.553 -2.306 -10.565 507 HG3 ARG 61 HG3 ARG 61 -7.392 -3.854 -11.402 508 HD2 ARG 61 HD2 ARG 61 -8.473 -4.744 -9.166 509 HD3 ARG 61 HD3 ARG 61 -9.101 -3.101 -9.098 510 HE ARG 61 HE ARG 61 -9.883 -3.678 -11.499 511 HH11 ARG 61 HH11 ARG 61 -9.768 -5.921 -8.785 512 HH12 ARG 61 HH12 ARG 61 -11.120 -6.848 -9.342 513 HH21 ARG 61 HH21 ARG 61 -11.698 -4.909 -12.222 514 HH22 ARG 61 HH22 ARG 61 -12.214 -6.277 -11.295 515 H PHE 62 H PHE 62 -6.265 -0.357 -10.137 516 HA PHE 62 HA PHE 62 -8.164 0.307 -8.026 517 HB2 PHE 62 HB2 PHE 62 -6.103 1.448 -7.357 518 HB3 PHE 62 HB3 PHE 62 -5.984 2.198 -8.943 519 HD1 PHE 62 HD1 PHE 62 -7.944 2.065 -5.839 520 HD2 PHE 62 HD2 PHE 62 -7.230 4.150 -9.471 521 HE1 PHE 62 HE1 PHE 62 -9.319 3.950 -5.031 522 HE2 PHE 62 HE2 PHE 62 -8.589 6.036 -8.670 523 HZ PHE 62 HZ PHE 62 -9.632 5.939 -6.449 524 H ASP 63 H ASP 63 -9.775 1.698 -8.718 525 HA ASP 63 HA ASP 63 -11.373 2.462 -10.234 526 HB2 ASP 63 HB2 ASP 63 -9.454 4.028 -10.705 527 HB3 ASP 63 HB3 ASP 63 -8.972 2.978 -12.003 528 H GLY 64 H GLY 64 -10.177 -0.306 -10.365 529 HA2 GLY 64 HA2 GLY 64 -10.929 -2.129 -11.492 530 HA3 GLY 64 HA3 GLY 64 -11.557 -1.106 -12.775 531 H GLN 65 H GLN 65 -8.789 0.236 -12.676 532 HA GLN 65 HA GLN 65 -7.614 -1.542 -14.664 533 HB2 GLN 65 HB2 GLN 65 -6.232 0.452 -15.269 534 HB3 GLN 65 HB3 GLN 65 -7.963 0.706 -15.433 535 HG2 GLN 65 HG2 GLN 65 -7.990 1.871 -13.295 536 HG3 GLN 65 HG3 GLN 65 -6.254 1.637 -13.136 537 HE21 GLN 65 HE21 GLN 65 -5.822 3.787 -13.072 538 HE22 GLN 65 HE22 GLN 65 -5.979 4.837 -14.432 539 HA PRO 66 HA PRO 66 -4.237 -2.796 -12.089 540 HB2 PRO 66 HB2 PRO 66 -2.442 -2.702 -14.382 541 HB3 PRO 66 HB3 PRO 66 -3.032 -4.106 -13.492 542 HG2 PRO 66 HG2 PRO 66 -3.802 -3.474 -16.045 543 HG3 PRO 66 HG3 PRO 66 -4.777 -4.430 -14.919 544 HD2 PRO 66 HD2 PRO 66 -5.105 -1.583 -15.752 545 HD3 PRO 66 HD3 PRO 66 -6.308 -2.783 -15.257 546 H ILE 67 H ILE 67 -2.729 -1.765 -10.888 547 HA ILE 67 HA ILE 67 -1.986 0.952 -11.621 548 HB ILE 67 HB ILE 67 -1.292 -0.617 -9.123 549 HG12 ILE 67 HG12 ILE 67 -3.551 1.347 -9.576 550 HG13 ILE 67 HG13 ILE 67 -3.727 -0.394 -9.394 551 HG21 ILE 67 HG21 ILE 67 -1.265 2.356 -9.619 552 HG22 ILE 67 HG22 ILE 67 0.157 1.314 -9.588 553 HG23 ILE 67 HG23 ILE 67 -0.808 1.527 -8.129 554 HD11 ILE 67 HD11 ILE 67 -2.817 -0.226 -7.117 555 HD12 ILE 67 HD12 ILE 67 -4.286 0.721 -7.334 556 HD13 ILE 67 HD13 ILE 67 -2.717 1.525 -7.307 557 H ASN 68 H ASN 68 0.238 1.669 -11.754 558 HA ASN 68 HA ASN 68 2.183 -0.488 -12.124 559 HB2 ASN 68 HB2 ASN 68 2.894 1.960 -13.506 560 HB3 ASN 68 HB3 ASN 68 2.798 0.322 -14.132 561 HD21 ASN 68 HD21 ASN 68 1.244 3.355 -13.819 562 HD22 ASN 68 HD22 ASN 68 -0.097 3.023 -14.828 563 H GLU 69 H GLU 69 4.346 0.072 -11.514 564 HA GLU 69 HA GLU 69 4.309 1.577 -9.093 565 HB2 GLU 69 HB2 GLU 69 6.733 1.040 -9.000 566 HB3 GLU 69 HB3 GLU 69 5.694 -0.368 -9.156 567 HG2 GLU 69 HG2 GLU 69 6.303 -0.668 -11.416 568 HG3 GLU 69 HG3 GLU 69 7.074 0.917 -11.494 569 H THR 70 H THR 70 4.917 2.368 -12.324 570 HA THR 70 HA THR 70 6.564 4.641 -11.608 571 HB THR 70 HB THR 70 7.211 3.355 -13.557 572 HG1 THR 70 HG1 THR 70 6.317 6.013 -13.944 573 HG21 THR 70 HG21 THR 70 5.030 2.560 -14.163 574 HG22 THR 70 HG22 THR 70 5.801 3.337 -15.557 575 HG23 THR 70 HG23 THR 70 4.540 4.181 -14.645 576 H ASP 71 H ASP 71 3.409 4.151 -11.306 577 HA ASP 71 HA ASP 71 2.606 6.681 -12.542 578 HB2 ASP 71 HB2 ASP 71 1.344 4.280 -12.525 579 HB3 ASP 71 HB3 ASP 71 0.565 5.081 -11.166 580 H THR 72 H THR 72 0.976 7.931 -11.241 581 HA THR 72 HA THR 72 1.713 7.960 -8.377 582 HB THR 72 HB THR 72 0.959 10.536 -8.776 583 HG1 THR 72 HG1 THR 72 2.129 9.591 -11.192 584 HG21 THR 72 HG21 THR 72 3.722 9.381 -9.182 585 HG22 THR 72 HG22 THR 72 2.982 9.825 -7.641 586 HG23 THR 72 HG23 THR 72 3.366 11.073 -8.826 587 HA PRO 73 HA PRO 73 -2.488 7.535 -7.223 588 HB2 PRO 73 HB2 PRO 73 -2.591 9.261 -5.062 589 HB3 PRO 73 HB3 PRO 73 -1.963 7.613 -5.003 590 HG2 PRO 73 HG2 PRO 73 -0.487 10.197 -5.233 591 HG3 PRO 73 HG3 PRO 73 -0.067 8.737 -4.316 592 HD2 PRO 73 HD2 PRO 73 1.097 9.381 -6.645 593 HD3 PRO 73 HD3 PRO 73 0.815 7.695 -6.171 594 H ALA 74 H ALA 74 -1.264 10.817 -7.595 595 HA ALA 74 HA ALA 74 -3.794 12.081 -7.638 596 HB1 ALA 74 HB1 ALA 74 -2.579 14.015 -8.538 597 HB2 ALA 74 HB2 ALA 74 -1.156 12.987 -8.756 598 HB3 ALA 74 HB3 ALA 74 -1.772 13.310 -7.134 599 H GLN 75 H GLN 75 -2.090 10.237 -9.948 600 HA GLN 75 HA GLN 75 -3.203 11.388 -12.295 601 HB2 GLN 75 HB2 GLN 75 -1.864 8.801 -11.653 602 HB3 GLN 75 HB3 GLN 75 -2.574 9.055 -13.239 603 HG2 GLN 75 HG2 GLN 75 -0.340 10.587 -11.939 604 HG3 GLN 75 HG3 GLN 75 -0.253 9.545 -13.358 605 HE21 GLN 75 HE21 GLN 75 -1.062 12.665 -12.148 606 HE22 GLN 75 HE22 GLN 75 -1.371 13.411 -13.677 607 H LEU 76 H LEU 76 -4.147 8.783 -10.129 608 HA LEU 76 HA LEU 76 -6.475 8.186 -11.757 609 HB2 LEU 76 HB2 LEU 76 -5.920 7.022 -9.047 610 HB3 LEU 76 HB3 LEU 76 -6.788 6.307 -10.389 611 HG LEU 76 HG LEU 76 -4.308 6.519 -11.472 612 HD11 LEU 76 HD11 LEU 76 -3.334 7.391 -9.418 613 HD12 LEU 76 HD12 LEU 76 -2.676 5.803 -9.812 614 HD13 LEU 76 HD13 LEU 76 -3.891 5.965 -8.544 615 HD21 LEU 76 HD21 LEU 76 -5.779 4.523 -11.394 616 HD22 LEU 76 HD22 LEU 76 -5.231 4.226 -9.742 617 HD23 LEU 76 HD23 LEU 76 -4.086 4.151 -11.076 618 H GLU 77 H GLU 77 -5.681 10.585 -9.864 619 HA GLU 77 HA GLU 77 -6.575 12.009 -8.366 620 HB2 GLU 77 HB2 GLU 77 -8.700 12.943 -8.984 621 HB3 GLU 77 HB3 GLU 77 -7.793 12.562 -10.435 622 HG2 GLU 77 HG2 GLU 77 -9.161 10.588 -10.789 623 HG3 GLU 77 HG3 GLU 77 -10.034 10.908 -9.290 624 H MET 78 H MET 78 -6.484 9.405 -7.383 625 HA MET 78 HA MET 78 -8.892 8.688 -6.076 626 HB2 MET 78 HB2 MET 78 -7.526 7.056 -4.901 627 HB3 MET 78 HB3 MET 78 -7.086 7.095 -6.605 628 HG2 MET 78 HG2 MET 78 -5.308 8.825 -5.695 629 HG3 MET 78 HG3 MET 78 -5.526 7.872 -4.229 630 HE1 MET 78 HE1 MET 78 -5.314 5.136 -4.274 631 HE2 MET 78 HE2 MET 78 -4.731 4.249 -5.685 632 HE3 MET 78 HE3 MET 78 -6.303 5.048 -5.734 633 H GLU 79 H GLU 79 -9.097 8.603 -3.687 634 HA GLU 79 HA GLU 79 -8.059 11.090 -2.494 635 HB2 GLU 79 HB2 GLU 79 -10.172 11.403 -1.399 636 HB3 GLU 79 HB3 GLU 79 -10.477 11.167 -3.114 637 HG2 GLU 79 HG2 GLU 79 -10.838 8.688 -2.466 638 HG3 GLU 79 HG3 GLU 79 -11.005 9.316 -0.831 639 H ASP 80 H ASP 80 -8.101 11.032 -0.033 640 HA ASP 80 HA ASP 80 -6.750 8.831 0.937 641 HB2 ASP 80 HB2 ASP 80 -7.240 9.831 3.194 642 HB3 ASP 80 HB3 ASP 80 -6.503 10.933 2.038 643 H GLU 81 H GLU 81 -7.274 7.189 2.238 644 HA GLU 81 HA GLU 81 -8.427 5.561 3.279 645 HB2 GLU 81 HB2 GLU 81 -10.833 7.321 2.791 646 HB3 GLU 81 HB3 GLU 81 -10.924 5.760 3.600 647 HG2 GLU 81 HG2 GLU 81 -8.877 7.483 4.718 648 HG3 GLU 81 HG3 GLU 81 -10.484 8.195 4.797 649 H ASP 82 H ASP 82 -8.080 6.092 0.287 650 HA ASP 82 HA ASP 82 -10.035 4.620 -1.114 651 HB2 ASP 82 HB2 ASP 82 -8.798 5.352 -2.830 652 HB3 ASP 82 HB3 ASP 82 -7.546 5.873 -1.710 653 H THR 83 H THR 83 -10.169 2.436 -1.734 654 HA THR 83 HA THR 83 -8.401 0.612 -0.286 655 HB THR 83 HB THR 83 -11.062 -0.039 -1.541 656 HG1 THR 83 HG1 THR 83 -10.529 1.478 0.592 657 HG21 THR 83 HG21 THR 83 -10.988 -1.962 -0.032 658 HG22 THR 83 HG22 THR 83 -9.440 -1.411 0.614 659 HG23 THR 83 HG23 THR 83 -9.556 -1.935 -1.066 660 H ILE 84 H ILE 84 -6.813 -0.052 -1.493 661 HA ILE 84 HA ILE 84 -6.934 -0.325 -4.362 662 HB ILE 84 HB ILE 84 -4.728 -1.279 -2.488 663 HG12 ILE 84 HG12 ILE 84 -5.326 1.192 -2.335 664 HG13 ILE 84 HG13 ILE 84 -3.658 0.822 -2.740 665 HG21 ILE 84 HG21 ILE 84 -4.787 -0.711 -5.449 666 HG22 ILE 84 HG22 ILE 84 -4.568 -2.283 -4.671 667 HG23 ILE 84 HG23 ILE 84 -3.322 -1.041 -4.522 668 HD11 ILE 84 HD11 ILE 84 -4.133 1.272 -5.075 669 HD12 ILE 84 HD12 ILE 84 -4.498 2.659 -4.046 670 HD13 ILE 84 HD13 ILE 84 -5.808 1.647 -4.666 671 H ASP 85 H ASP 85 -7.073 -2.195 -5.545 672 HA ASP 85 HA ASP 85 -7.940 -4.592 -4.100 673 HB2 ASP 85 HB2 ASP 85 -9.381 -3.695 -5.907 674 HB3 ASP 85 HB3 ASP 85 -8.058 -3.926 -7.042 675 H VAL 86 H VAL 86 -6.368 -5.992 -3.640 676 HA VAL 86 HA VAL 86 -4.257 -6.417 -5.648 677 HB VAL 86 HB VAL 86 -4.185 -6.789 -2.656 678 HG11 VAL 86 HG11 VAL 86 -3.150 -8.767 -3.693 679 HG12 VAL 86 HG12 VAL 86 -1.945 -7.739 -2.917 680 HG13 VAL 86 HG13 VAL 86 -2.130 -7.710 -4.671 681 HG21 VAL 86 HG21 VAL 86 -2.468 -5.253 -4.575 682 HG22 VAL 86 HG22 VAL 86 -2.288 -5.301 -2.822 683 HG23 VAL 86 HG23 VAL 86 -3.726 -4.576 -3.544 684 H PHE 87 H PHE 87 -3.896 -8.357 -6.459 685 HA PHE 87 HA PHE 87 -5.463 -10.594 -5.459 686 HB2 PHE 87 HB2 PHE 87 -5.930 -11.188 -7.926 687 HB3 PHE 87 HB3 PHE 87 -6.909 -9.932 -7.181 688 HD1 PHE 87 HD1 PHE 87 -6.601 -7.573 -7.804 689 HD2 PHE 87 HD2 PHE 87 -4.400 -10.692 -9.702 690 HE1 PHE 87 HE1 PHE 87 -6.002 -6.051 -9.614 691 HE2 PHE 87 HE2 PHE 87 -3.800 -9.153 -11.522 692 HZ PHE 87 HZ PHE 87 -4.601 -6.829 -11.482 693 H GLN 88 H GLN 88 -4.623 -12.678 -6.119 694 HA GLN 88 HA GLN 88 -1.764 -12.639 -6.126 695 HB2 GLN 88 HB2 GLN 88 -3.414 -14.247 -4.907 696 HB3 GLN 88 HB3 GLN 88 -3.457 -15.097 -6.445 697 HG2 GLN 88 HG2 GLN 88 -1.802 -16.255 -5.373 698 HG3 GLN 88 HG3 GLN 88 -0.852 -15.017 -6.200 699 HE21 GLN 88 HE21 GLN 88 0.135 -13.428 -5.030 700 HE22 GLN 88 HE22 GLN 88 0.261 -13.474 -3.304 701 H GLN 89 H GLN 89 -0.643 -12.411 -7.957 702 HA GLN 89 HA GLN 89 -1.705 -13.537 -10.459 703 HB2 GLN 89 HB2 GLN 89 0.091 -11.225 -9.845 704 HB3 GLN 89 HB3 GLN 89 0.248 -12.039 -11.396 705 HG2 GLN 89 HG2 GLN 89 -2.318 -10.887 -10.339 706 HG3 GLN 89 HG3 GLN 89 -1.222 -10.050 -11.438 707 HE21 GLN 89 HE21 GLN 89 -4.004 -10.912 -11.813 708 HE22 GLN 89 HE22 GLN 89 -4.002 -11.922 -13.215 709 H GLN 90 H GLN 90 -0.186 -14.781 -8.179 710 HA GLN 90 HA GLN 90 2.415 -15.460 -9.019 711 HB2 GLN 90 HB2 GLN 90 1.534 -15.690 -6.709 712 HB3 GLN 90 HB3 GLN 90 0.528 -17.019 -7.256 713 HG2 GLN 90 HG2 GLN 90 2.519 -18.315 -7.794 714 HG3 GLN 90 HG3 GLN 90 3.538 -16.971 -7.277 715 HE21 GLN 90 HE21 GLN 90 0.571 -17.915 -5.687 716 HE22 GLN 90 HE22 GLN 90 1.307 -18.472 -4.229 717 H THR 91 H THR 91 -0.714 -16.618 -9.909 718 HA THR 91 HA THR 91 0.493 -18.850 -11.366 719 HB THR 91 HB THR 91 -1.199 -19.688 -9.909 720 HG1 THR 91 HG1 THR 91 -1.790 -20.860 -11.558 721 HG21 THR 91 HG21 THR 91 -2.373 -17.613 -9.402 722 HG22 THR 91 HG22 THR 91 -3.520 -18.850 -9.918 723 HG23 THR 91 HG23 THR 91 -3.041 -17.571 -11.034 724 H GLY 92 H GLY 92 0.532 -18.797 -13.531 725 HA2 GLY 92 HA2 GLY 92 -1.230 -16.868 -14.897 726 HA3 GLY 92 HA3 GLY 92 0.469 -17.040 -15.330 727 H GLY 93 H GLY 93 -2.559 -17.884 -16.252 728 HA2 GLY 93 HA2 GLY 93 -1.637 -19.779 -18.146 729 HA3 GLY 93 HA3 GLY 93 -2.503 -20.579 -16.841 Start of MODEL 5 1 H MET 1 H MET 1 19.908 7.810 21.914 2 HA MET 1 HA MET 1 21.466 8.778 23.511 3 HB2 MET 1 HB2 MET 1 23.465 7.548 22.810 4 HB3 MET 1 HB3 MET 1 23.431 8.346 21.245 5 HG2 MET 1 HG2 MET 1 23.889 10.478 22.293 6 HG3 MET 1 HG3 MET 1 23.841 9.725 23.883 7 HE1 MET 1 HE1 MET 1 26.269 11.521 22.975 8 HE2 MET 1 HE2 MET 1 27.643 10.546 23.494 9 HE3 MET 1 HE3 MET 1 26.222 10.686 24.528 10 H ALA 2 H ALA 2 22.401 9.579 20.190 11 HA ALA 2 HA ALA 2 21.120 12.188 20.509 12 HB1 ALA 2 HB1 ALA 2 22.352 12.809 18.470 13 HB2 ALA 2 HB2 ALA 2 22.969 11.162 18.343 14 HB3 ALA 2 HB3 ALA 2 23.442 12.177 19.705 15 H ASP 3 H ASP 3 19.100 10.871 20.478 16 HA ASP 3 HA ASP 3 18.303 9.700 17.959 17 HB2 ASP 3 HB2 ASP 3 16.697 10.138 20.482 18 HB3 ASP 3 HB3 ASP 3 16.238 9.124 19.121 19 H GLU 4 H GLU 4 17.605 12.559 19.863 20 HA GLU 4 HA GLU 4 15.517 13.369 18.012 21 HB2 GLU 4 HB2 GLU 4 15.187 13.628 20.441 22 HB3 GLU 4 HB3 GLU 4 16.546 14.740 20.494 23 HG2 GLU 4 HG2 GLU 4 15.310 16.226 18.931 24 HG3 GLU 4 HG3 GLU 4 13.923 15.146 19.079 25 H LYS 5 H LYS 5 16.304 14.155 16.145 26 HA LYS 5 HA LYS 5 18.679 15.640 15.877 27 HB2 LYS 5 HB2 LYS 5 17.929 16.139 13.623 28 HB3 LYS 5 HB3 LYS 5 17.569 14.462 13.992 29 HG2 LYS 5 HG2 LYS 5 15.243 14.952 14.284 30 HG3 LYS 5 HG3 LYS 5 15.546 16.684 14.182 31 HD2 LYS 5 HD2 LYS 5 14.657 15.968 12.075 32 HD3 LYS 5 HD3 LYS 5 16.367 16.333 11.846 33 HE2 LYS 5 HE2 LYS 5 15.860 14.298 10.677 34 HE3 LYS 5 HE3 LYS 5 16.851 13.899 12.077 35 HZ1 LYS 5 HZ1 LYS 5 14.981 12.369 11.784 36 HZ2 LYS 5 HZ2 LYS 5 13.895 13.647 11.951 37 HZ3 LYS 5 HZ3 LYS 5 14.869 13.200 13.250 38 HA PRO 6 HA PRO 6 17.590 19.673 17.296 39 HB2 PRO 6 HB2 PRO 6 18.837 21.112 15.224 40 HB3 PRO 6 HB3 PRO 6 19.519 20.727 16.794 41 HG2 PRO 6 HG2 PRO 6 20.029 19.522 14.173 42 HG3 PRO 6 HG3 PRO 6 21.001 19.430 15.648 43 HD2 PRO 6 HD2 PRO 6 19.501 17.362 14.580 44 HD3 PRO 6 HD3 PRO 6 20.060 17.451 16.257 45 H LYS 7 H LYS 7 17.068 21.899 16.155 46 HA LYS 7 HA LYS 7 14.583 21.408 14.726 47 HB2 LYS 7 HB2 LYS 7 13.945 23.646 15.320 48 HB3 LYS 7 HB3 LYS 7 14.609 22.871 16.744 49 HG2 LYS 7 HG2 LYS 7 16.190 24.737 14.995 50 HG3 LYS 7 HG3 LYS 7 15.257 25.282 16.391 51 HD2 LYS 7 HD2 LYS 7 16.661 23.566 17.700 52 HD3 LYS 7 HD3 LYS 7 17.710 23.558 16.277 53 HE2 LYS 7 HE2 LYS 7 17.075 25.852 18.109 54 HE3 LYS 7 HE3 LYS 7 18.645 25.146 17.741 55 HZ1 LYS 7 HZ1 LYS 7 16.953 26.811 15.966 56 HZ2 LYS 7 HZ2 LYS 7 18.287 25.937 15.405 57 HZ3 LYS 7 HZ3 LYS 7 18.501 27.163 16.550 58 H GLU 8 H GLU 8 17.388 21.374 13.536 59 HA GLU 8 HA GLU 8 17.170 23.541 11.580 60 HB2 GLU 8 HB2 GLU 8 19.381 21.533 11.811 61 HB3 GLU 8 HB3 GLU 8 19.387 23.070 10.958 62 HG2 GLU 8 HG2 GLU 8 19.168 22.764 13.933 63 HG3 GLU 8 HG3 GLU 8 20.670 23.106 13.073 64 H GLY 9 H GLY 9 15.301 22.488 10.544 65 HA2 GLY 9 HA2 GLY 9 16.064 21.252 8.173 66 HA3 GLY 9 HA3 GLY 9 15.503 20.009 9.285 67 H VAL 10 H VAL 10 14.608 22.928 7.582 68 HA VAL 10 HA VAL 10 11.863 22.793 8.431 69 HB VAL 10 HB VAL 10 12.942 24.931 7.920 70 HG11 VAL 10 HG11 VAL 10 13.194 25.643 5.561 71 HG12 VAL 10 HG12 VAL 10 12.862 23.979 5.071 72 HG13 VAL 10 HG13 VAL 10 14.294 24.346 6.029 73 HG21 VAL 10 HG21 VAL 10 10.502 24.273 6.284 74 HG22 VAL 10 HG22 VAL 10 11.037 25.916 6.660 75 HG23 VAL 10 HG23 VAL 10 10.539 24.822 7.957 76 H LYS 11 H LYS 11 12.351 20.455 7.498 77 HA LYS 11 HA LYS 11 10.699 20.264 5.080 78 HB2 LYS 11 HB2 LYS 11 12.901 19.573 4.402 79 HB3 LYS 11 HB3 LYS 11 13.130 18.639 5.870 80 HG2 LYS 11 HG2 LYS 11 12.778 17.173 3.984 81 HG3 LYS 11 HG3 LYS 11 11.427 17.044 5.110 82 HD2 LYS 11 HD2 LYS 11 10.082 18.491 3.678 83 HD3 LYS 11 HD3 LYS 11 11.444 18.677 2.569 84 HE2 LYS 11 HE2 LYS 11 11.410 16.295 2.092 85 HE3 LYS 11 HE3 LYS 11 10.109 16.062 3.255 86 HZ1 LYS 11 HZ1 LYS 11 9.927 17.670 0.763 87 HZ2 LYS 11 HZ2 LYS 11 8.682 17.441 1.877 88 HZ3 LYS 11 HZ3 LYS 11 9.268 16.135 0.999 89 H THR 12 H THR 12 8.633 19.550 5.922 90 HA THR 12 HA THR 12 8.882 17.680 8.078 91 HB THR 12 HB THR 12 7.852 19.684 8.904 92 HG1 THR 12 HG1 THR 12 6.233 18.638 9.802 93 HG21 THR 12 HG21 THR 12 7.231 20.708 6.771 94 HG22 THR 12 HG22 THR 12 5.845 20.664 7.865 95 HG23 THR 12 HG23 THR 12 5.971 19.492 6.549 96 H GLU 13 H GLU 13 7.816 15.793 7.802 97 HA GLU 13 HA GLU 13 6.916 15.002 5.246 98 HB2 GLU 13 HB2 GLU 13 6.621 13.673 7.931 99 HB3 GLU 13 HB3 GLU 13 6.230 12.899 6.401 100 HG2 GLU 13 HG2 GLU 13 8.949 13.986 7.077 101 HG3 GLU 13 HG3 GLU 13 8.462 12.318 7.364 102 H ASN 14 H ASN 14 5.330 16.806 7.551 103 HA ASN 14 HA ASN 14 2.698 15.696 7.012 104 HB2 ASN 14 HB2 ASN 14 3.641 17.864 8.885 105 HB3 ASN 14 HB3 ASN 14 1.943 17.460 8.654 106 HD21 ASN 14 HD21 ASN 14 5.026 16.318 9.830 107 HD22 ASN 14 HD22 ASN 14 4.387 15.049 10.816 108 H ASN 15 H ASN 15 3.239 16.444 4.638 109 HA ASN 15 HA ASN 15 1.488 18.700 4.202 110 HB2 ASN 15 HB2 ASN 15 2.959 20.173 3.097 111 HB3 ASN 15 HB3 ASN 15 3.865 19.664 4.515 112 HD21 ASN 15 HD21 ASN 15 5.606 18.206 4.241 113 HD22 ASN 15 HD22 ASN 15 6.348 17.985 2.701 114 H ASP 16 H ASP 16 0.342 18.451 2.312 115 HA ASP 16 HA ASP 16 -0.264 17.771 0.232 116 HB2 ASP 16 HB2 ASP 16 1.907 18.809 -0.387 117 HB3 ASP 16 HB3 ASP 16 2.708 17.271 -0.119 118 H HIS 17 H HIS 17 -0.417 15.864 2.370 119 HA HIS 17 HA HIS 17 0.165 13.409 0.882 120 HB2 HIS 17 HB2 HIS 17 0.779 12.231 2.874 121 HB3 HIS 17 HB3 HIS 17 1.741 13.697 2.783 122 HD1 HIS 17 HD1 HIS 17 1.453 15.402 4.659 123 HD2 HIS 17 HD2 HIS 17 -1.134 12.167 4.945 124 HE1 HIS 17 HE1 HIS 17 0.444 15.552 6.950 125 HE2 HIS 17 HE2 HIS 17 -1.170 13.620 7.087 126 H ILE 18 H ILE 18 -1.138 11.659 1.164 127 HA ILE 18 HA ILE 18 -3.768 12.127 2.393 128 HB ILE 18 HB ILE 18 -4.846 10.948 0.473 129 HG12 ILE 18 HG12 ILE 18 -2.250 11.428 -1.001 130 HG13 ILE 18 HG13 ILE 18 -2.693 9.873 -0.306 131 HG21 ILE 18 HG21 ILE 18 -4.839 12.849 -1.068 132 HG22 ILE 18 HG22 ILE 18 -3.407 13.494 -0.267 133 HG23 ILE 18 HG23 ILE 18 -4.932 13.379 0.612 134 HD11 ILE 18 HD11 ILE 18 -4.158 11.352 -2.484 135 HD12 ILE 18 HD12 ILE 18 -4.686 9.835 -1.750 136 HD13 ILE 18 HD13 ILE 18 -3.180 9.890 -2.660 137 H ASN 19 H ASN 19 -5.003 9.983 2.474 138 HA ASN 19 HA ASN 19 -3.183 7.880 3.427 139 HB2 ASN 19 HB2 ASN 19 -6.178 8.274 3.732 140 HB3 ASN 19 HB3 ASN 19 -5.310 6.867 4.320 141 HD21 ASN 19 HD21 ASN 19 -4.429 6.936 6.258 142 HD22 ASN 19 HD22 ASN 19 -4.371 8.335 7.274 143 H LEU 20 H LEU 20 -3.059 5.927 2.446 144 HA LEU 20 HA LEU 20 -5.065 5.288 0.396 145 HB2 LEU 20 HB2 LEU 20 -2.070 4.957 0.167 146 HB3 LEU 20 HB3 LEU 20 -3.189 4.054 -0.830 147 HG LEU 20 HG LEU 20 -2.459 5.838 -2.177 148 HD11 LEU 20 HD11 LEU 20 -5.079 6.756 -1.028 149 HD12 LEU 20 HD12 LEU 20 -4.883 5.478 -2.223 150 HD13 LEU 20 HD13 LEU 20 -4.422 7.133 -2.619 151 HD21 LEU 20 HD21 LEU 20 -1.445 7.156 -0.386 152 HD22 LEU 20 HD22 LEU 20 -3.043 7.728 0.089 153 HD23 LEU 20 HD23 LEU 20 -2.388 8.146 -1.497 154 H LYS 21 H LYS 21 -5.796 3.204 0.420 155 HA LYS 21 HA LYS 21 -4.513 1.448 2.383 156 HB2 LYS 21 HB2 LYS 21 -7.489 1.767 1.958 157 HB3 LYS 21 HB3 LYS 21 -6.720 0.642 3.070 158 HG2 LYS 21 HG2 LYS 21 -5.719 2.601 4.252 159 HG3 LYS 21 HG3 LYS 21 -6.688 3.647 3.218 160 HD2 LYS 21 HD2 LYS 21 -7.786 1.532 5.065 161 HD3 LYS 21 HD3 LYS 21 -7.728 3.259 5.418 162 HE2 LYS 21 HE2 LYS 21 -9.148 3.682 3.464 163 HE3 LYS 21 HE3 LYS 21 -9.246 1.951 3.163 164 HZ1 LYS 21 HZ1 LYS 21 -11.188 2.645 4.335 165 HZ2 LYS 21 HZ2 LYS 21 -10.281 3.416 5.534 166 HZ3 LYS 21 HZ3 LYS 21 -10.254 1.725 5.400 167 H VAL 22 H VAL 22 -4.493 -0.696 1.901 168 HA VAL 22 HA VAL 22 -5.325 -1.371 -0.836 169 HB VAL 22 HB VAL 22 -2.754 -2.232 0.466 170 HG11 VAL 22 HG11 VAL 22 -3.669 -3.979 -0.859 171 HG12 VAL 22 HG12 VAL 22 -2.205 -3.317 -1.586 172 HG13 VAL 22 HG13 VAL 22 -3.788 -2.887 -2.236 173 HG21 VAL 22 HG21 VAL 22 -1.555 -0.879 -0.923 174 HG22 VAL 22 HG22 VAL 22 -2.908 0.136 -0.408 175 HG23 VAL 22 HG23 VAL 22 -2.920 -0.628 -2.001 176 H ALA 23 H ALA 23 -6.319 -3.295 -1.088 177 HA ALA 23 HA ALA 23 -6.707 -4.889 1.359 178 HB1 ALA 23 HB1 ALA 23 -8.616 -4.535 -0.950 179 HB2 ALA 23 HB2 ALA 23 -8.744 -3.744 0.620 180 HB3 ALA 23 HB3 ALA 23 -8.906 -5.496 0.500 181 H GLY 24 H GLY 24 -6.124 -6.945 1.317 182 HA2 GLY 24 HA2 GLY 24 -5.187 -8.055 -1.226 183 HA3 GLY 24 HA3 GLY 24 -4.714 -8.608 0.376 184 H GLN 25 H GLN 25 -5.440 -10.440 -1.437 185 HA GLN 25 HA GLN 25 -8.189 -11.053 -1.588 186 HB2 GLN 25 HB2 GLN 25 -6.030 -13.135 -1.711 187 HB3 GLN 25 HB3 GLN 25 -7.547 -13.073 -2.586 188 HG2 GLN 25 HG2 GLN 25 -6.035 -12.579 -4.244 189 HG3 GLN 25 HG3 GLN 25 -6.511 -10.971 -3.691 190 HE21 GLN 25 HE21 GLN 25 -5.007 -9.620 -2.952 191 HE22 GLN 25 HE22 GLN 25 -3.336 -10.027 -2.718 192 H ASP 26 H ASP 26 -5.711 -11.738 0.717 193 HA ASP 26 HA ASP 26 -7.076 -13.843 2.079 194 HB2 ASP 26 HB2 ASP 26 -4.595 -13.509 2.094 195 HB3 ASP 26 HB3 ASP 26 -4.834 -12.091 3.107 196 H GLY 27 H GLY 27 -7.516 -10.488 2.019 197 HA2 GLY 27 HA2 GLY 27 -9.418 -9.511 3.100 198 HA3 GLY 27 HA3 GLY 27 -9.231 -10.674 4.405 199 H SER 28 H SER 28 -6.239 -9.662 3.681 200 HA SER 28 HA SER 28 -6.121 -7.941 5.996 201 HB2 SER 28 HB2 SER 28 -4.362 -9.645 5.521 202 HB3 SER 28 HB3 SER 28 -3.897 -8.719 4.095 203 HG SER 28 HG SER 28 -2.575 -7.926 5.563 204 H VAL 29 H VAL 29 -5.342 -5.778 5.989 205 HA VAL 29 HA VAL 29 -5.322 -4.350 3.435 206 HB VAL 29 HB VAL 29 -7.099 -3.475 5.716 207 HG11 VAL 29 HG11 VAL 29 -6.752 -2.322 2.968 208 HG12 VAL 29 HG12 VAL 29 -6.221 -1.602 4.488 209 HG13 VAL 29 HG13 VAL 29 -7.944 -1.784 4.151 210 HG21 VAL 29 HG21 VAL 29 -9.020 -3.968 4.264 211 HG22 VAL 29 HG22 VAL 29 -8.091 -5.420 4.638 212 HG23 VAL 29 HG23 VAL 29 -7.922 -4.648 3.062 213 H VAL 30 H VAL 30 -3.901 -2.679 3.467 214 HA VAL 30 HA VAL 30 -2.758 -1.922 6.094 215 HB VAL 30 HB VAL 30 -1.218 -1.872 3.504 216 HG11 VAL 30 HG11 VAL 30 -0.459 -0.395 5.320 217 HG12 VAL 30 HG12 VAL 30 0.715 -1.653 4.948 218 HG13 VAL 30 HG13 VAL 30 -0.306 -1.797 6.378 219 HG21 VAL 30 HG21 VAL 30 -1.849 -4.182 3.985 220 HG22 VAL 30 HG22 VAL 30 -1.190 -4.030 5.614 221 HG23 VAL 30 HG23 VAL 30 -0.121 -3.931 4.212 222 H GLN 31 H GLN 31 -2.640 0.219 6.530 223 HA GLN 31 HA GLN 31 -3.580 2.030 4.437 224 HB2 GLN 31 HB2 GLN 31 -3.381 2.599 7.402 225 HB3 GLN 31 HB3 GLN 31 -4.206 3.566 6.198 226 HG2 GLN 31 HG2 GLN 31 -5.991 2.522 7.155 227 HG3 GLN 31 HG3 GLN 31 -5.611 1.368 5.880 228 HE21 GLN 31 HE21 GLN 31 -4.875 -0.645 6.416 229 HE22 GLN 31 HE22 GLN 31 -4.803 -1.235 8.037 230 H PHE 32 H PHE 32 -2.401 3.816 3.819 231 HA PHE 32 HA PHE 32 0.273 4.130 5.032 232 HB2 PHE 32 HB2 PHE 32 -0.294 4.378 2.074 233 HB3 PHE 32 HB3 PHE 32 1.273 4.378 2.868 234 HD1 PHE 32 HD1 PHE 32 -1.595 2.309 1.883 235 HD2 PHE 32 HD2 PHE 32 2.372 2.335 3.424 236 HE1 PHE 32 HE1 PHE 32 -1.448 -0.104 1.519 237 HE2 PHE 32 HE2 PHE 32 2.527 -0.092 3.060 238 HZ PHE 32 HZ PHE 32 0.610 -1.312 2.107 239 HH31 ALY 33 HH31 ALY 33 -5.262 12.458 6.725 240 HH32 ALY 33 HH32 ALY 33 -4.969 13.398 8.205 241 HH33 ALY 33 HH33 ALY 33 -5.298 11.654 8.289 242 HZ ALY 33 HZ ALY 33 -3.729 10.525 6.556 243 HE3 ALY 33 HE3 ALY 33 -0.984 10.888 6.606 244 HE2 ALY 33 HE2 ALY 33 -1.452 10.409 8.236 245 HD3 ALY 33 HD3 ALY 33 -2.502 8.389 7.354 246 HD2 ALY 33 HD2 ALY 33 -2.068 8.872 5.715 247 HG3 ALY 33 HG3 ALY 33 -0.036 8.444 7.891 248 HG2 ALY 33 HG2 ALY 33 -0.579 7.160 6.808 249 HB3 ALY 33 HB3 ALY 33 0.495 9.763 5.787 250 HB2 ALY 33 HB2 ALY 33 1.551 8.420 6.190 251 HCA ALY 33 HCA ALY 33 -0.636 8.411 4.087 252 H ALY 33 H ALY 33 1.219 6.216 4.762 253 H ILE 34 H ILE 34 0.106 8.995 2.067 254 HA ILE 34 HA ILE 34 2.981 9.613 1.838 255 HB ILE 34 HB ILE 34 3.197 8.611 -0.324 256 HG12 ILE 34 HG12 ILE 34 0.285 7.829 -0.166 257 HG13 ILE 34 HG13 ILE 34 0.890 9.194 -1.095 258 HG21 ILE 34 HG21 ILE 34 1.730 6.680 1.472 259 HG22 ILE 34 HG22 ILE 34 3.453 7.064 1.552 260 HG23 ILE 34 HG23 ILE 34 2.798 6.238 0.135 261 HD11 ILE 34 HD11 ILE 34 0.472 7.210 -2.472 262 HD12 ILE 34 HD12 ILE 34 1.674 6.329 -1.527 263 HD13 ILE 34 HD13 ILE 34 2.162 7.711 -2.504 264 H LYS 35 H LYS 35 3.446 10.988 -0.100 265 HA LYS 35 HA LYS 35 1.569 13.143 -0.220 266 HB2 LYS 35 HB2 LYS 35 4.267 12.663 -1.454 267 HB3 LYS 35 HB3 LYS 35 3.294 14.067 -1.860 268 HG2 LYS 35 HG2 LYS 35 3.407 14.901 0.349 269 HG3 LYS 35 HG3 LYS 35 4.072 13.384 0.958 270 HD2 LYS 35 HD2 LYS 35 5.754 15.216 0.701 271 HD3 LYS 35 HD3 LYS 35 6.138 13.747 -0.193 272 HE2 LYS 35 HE2 LYS 35 6.587 15.707 -1.556 273 HE3 LYS 35 HE3 LYS 35 5.263 14.769 -2.238 274 HZ1 LYS 35 HZ1 LYS 35 4.968 17.260 -2.158 275 HZ2 LYS 35 HZ2 LYS 35 4.786 17.117 -0.487 276 HZ3 LYS 35 HZ3 LYS 35 3.694 16.349 -1.532 277 H ARG 36 H ARG 36 0.458 13.871 -2.012 278 HA ARG 36 HA ARG 36 -0.434 11.829 -3.790 279 HB2 ARG 36 HB2 ARG 36 -1.807 13.633 -4.837 280 HB3 ARG 36 HB3 ARG 36 -2.059 13.451 -3.116 281 HG2 ARG 36 HG2 ARG 36 -1.906 15.710 -3.192 282 HG3 ARG 36 HG3 ARG 36 -0.182 15.350 -3.072 283 HD2 ARG 36 HD2 ARG 36 -0.023 15.433 -5.526 284 HD3 ARG 36 HD3 ARG 36 -1.728 15.877 -5.601 285 HE ARG 36 HE ARG 36 0.064 17.553 -4.019 286 HH11 ARG 36 HH11 ARG 36 -1.908 17.138 -6.909 287 HH12 ARG 36 HH12 ARG 36 -1.811 18.801 -7.362 288 HH21 ARG 36 HH21 ARG 36 0.171 19.758 -4.628 289 HH22 ARG 36 HH22 ARG 36 -0.635 20.299 -6.058 290 H HIS 37 H HIS 37 2.198 13.918 -3.858 291 HA HIS 37 HA HIS 37 2.414 13.843 -6.783 292 HB2 HIS 37 HB2 HIS 37 2.825 16.016 -5.552 293 HB3 HIS 37 HB3 HIS 37 4.200 15.250 -4.772 294 HD1 HIS 37 HD1 HIS 37 3.128 16.827 -7.969 295 HD2 HIS 37 HD2 HIS 37 6.457 14.840 -6.470 296 HE1 HIS 37 HE1 HIS 37 4.960 17.222 -9.636 297 HE2 HIS 37 HE2 HIS 37 6.880 15.829 -8.819 298 H THR 38 H THR 38 3.089 12.094 -4.141 299 HA THR 38 HA THR 38 5.721 11.158 -4.881 300 HB THR 38 HB THR 38 3.918 10.915 -2.519 301 HG1 THR 38 HG1 THR 38 6.701 11.465 -2.753 302 HG21 THR 38 HG21 THR 38 5.332 9.232 -1.496 303 HG22 THR 38 HG22 THR 38 6.286 9.105 -2.979 304 HG23 THR 38 HG23 THR 38 4.587 8.607 -2.971 305 HA PRO 39 HA PRO 39 4.094 7.784 -7.255 306 HB2 PRO 39 HB2 PRO 39 6.214 6.048 -6.914 307 HB3 PRO 39 HB3 PRO 39 6.174 7.353 -8.106 308 HG2 PRO 39 HG2 PRO 39 7.459 7.281 -5.410 309 HG3 PRO 39 HG3 PRO 39 8.056 7.992 -6.922 310 HD2 PRO 39 HD2 PRO 39 7.004 9.491 -4.964 311 HD3 PRO 39 HD3 PRO 39 6.774 9.896 -6.679 312 H LEU 40 H LEU 40 2.621 6.377 -6.634 313 HA LEU 40 HA LEU 40 2.355 5.508 -3.974 314 HB2 LEU 40 HB2 LEU 40 0.561 3.968 -4.963 315 HB3 LEU 40 HB3 LEU 40 0.333 5.699 -5.085 316 HG LEU 40 HG LEU 40 1.140 5.570 -7.455 317 HD11 LEU 40 HD11 LEU 40 2.406 3.502 -7.321 318 HD12 LEU 40 HD12 LEU 40 1.155 3.396 -8.558 319 HD13 LEU 40 HD13 LEU 40 0.924 2.602 -7.000 320 HD21 LEU 40 HD21 LEU 40 -1.227 5.665 -6.926 321 HD22 LEU 40 HD22 LEU 40 -1.268 3.909 -6.745 322 HD23 LEU 40 HD23 LEU 40 -0.942 4.625 -8.321 323 H SER 41 H SER 41 4.240 4.300 -6.501 324 HA SER 41 HA SER 41 4.299 1.575 -6.154 325 HB2 SER 41 HB2 SER 41 6.788 1.878 -6.805 326 HB3 SER 41 HB3 SER 41 5.546 2.406 -7.935 327 HG SER 41 HG SER 41 6.934 4.088 -7.792 328 H LYS 42 H LYS 42 5.682 4.071 -4.141 329 HA LYS 42 HA LYS 42 7.446 2.500 -2.626 330 HB2 LYS 42 HB2 LYS 42 5.899 4.932 -1.713 331 HB3 LYS 42 HB3 LYS 42 7.380 4.306 -1.001 332 HG2 LYS 42 HG2 LYS 42 8.558 4.778 -3.122 333 HG3 LYS 42 HG3 LYS 42 7.074 5.485 -3.757 334 HD2 LYS 42 HD2 LYS 42 8.457 7.272 -2.981 335 HD3 LYS 42 HD3 LYS 42 7.124 7.097 -1.840 336 HE2 LYS 42 HE2 LYS 42 9.252 7.435 -0.690 337 HE3 LYS 42 HE3 LYS 42 8.571 5.851 -0.320 338 HZ1 LYS 42 HZ1 LYS 42 10.945 5.730 -0.759 339 HZ2 LYS 42 HZ2 LYS 42 10.729 6.392 -2.295 340 HZ3 LYS 42 HZ3 LYS 42 10.086 4.867 -1.928 341 H LEU 43 H LEU 43 4.076 3.430 -2.024 342 HA LEU 43 HA LEU 43 3.822 1.901 0.350 343 HB2 LEU 43 HB2 LEU 43 1.557 2.481 0.387 344 HB3 LEU 43 HB3 LEU 43 2.310 3.826 -0.437 345 HG LEU 43 HG LEU 43 1.594 2.489 -2.600 346 HD11 LEU 43 HD11 LEU 43 0.751 0.525 -1.423 347 HD12 LEU 43 HD12 LEU 43 -0.537 1.330 -2.320 348 HD13 LEU 43 HD13 LEU 43 -0.421 1.530 -0.570 349 HD21 LEU 43 HD21 LEU 43 -0.556 3.724 -2.577 350 HD22 LEU 43 HD22 LEU 43 0.832 4.706 -2.125 351 HD23 LEU 43 HD23 LEU 43 -0.269 4.113 -0.881 352 H MET 44 H MET 44 3.316 1.190 -3.041 353 HA MET 44 HA MET 44 1.935 -1.231 -2.696 354 HB2 MET 44 HB2 MET 44 3.703 -0.365 -4.988 355 HB3 MET 44 HB3 MET 44 2.660 -1.779 -5.012 356 HG2 MET 44 HG2 MET 44 0.762 -0.128 -4.506 357 HG3 MET 44 HG3 MET 44 1.906 1.113 -5.015 358 HE1 MET 44 HE1 MET 44 3.548 -0.598 -7.206 359 HE2 MET 44 HE2 MET 44 3.062 1.064 -7.553 360 HE3 MET 44 HE3 MET 44 2.699 -0.219 -8.703 361 H LYS 45 H LYS 45 5.408 -0.589 -3.170 362 HA LYS 45 HA LYS 45 6.097 -3.330 -2.973 363 HB2 LYS 45 HB2 LYS 45 7.854 -0.927 -2.472 364 HB3 LYS 45 HB3 LYS 45 8.408 -2.575 -2.737 365 HG2 LYS 45 HG2 LYS 45 7.231 -2.441 -4.992 366 HG3 LYS 45 HG3 LYS 45 7.133 -0.701 -4.707 367 HD2 LYS 45 HD2 LYS 45 9.096 -0.875 -5.893 368 HD3 LYS 45 HD3 LYS 45 9.687 -0.938 -4.231 369 HE2 LYS 45 HE2 LYS 45 10.803 -2.752 -5.061 370 HE3 LYS 45 HE3 LYS 45 9.290 -3.547 -4.629 371 HZ1 LYS 45 HZ1 LYS 45 10.006 -2.539 -7.321 372 HZ2 LYS 45 HZ2 LYS 45 8.535 -3.261 -6.910 373 HZ3 LYS 45 HZ3 LYS 45 9.966 -4.156 -6.836 374 H ALA 46 H ALA 46 5.793 -0.731 -0.632 375 HA ALA 46 HA ALA 46 6.943 -2.076 1.560 376 HB1 ALA 46 HB1 ALA 46 6.466 0.335 1.564 377 HB2 ALA 46 HB2 ALA 46 5.733 -0.471 2.949 378 HB3 ALA 46 HB3 ALA 46 4.737 -0.011 1.569 379 H TYR 47 H TYR 47 3.687 -2.019 0.224 380 HA TYR 47 HA TYR 47 2.360 -3.495 2.174 381 HB2 TYR 47 HB2 TYR 47 1.108 -2.388 0.435 382 HB3 TYR 47 HB3 TYR 47 1.883 -3.366 -0.803 383 HD1 TYR 47 HD1 TYR 47 -0.622 -3.360 1.882 384 HD2 TYR 47 HD2 TYR 47 1.160 -5.633 -1.225 385 HE1 TYR 47 HE1 TYR 47 -2.461 -4.996 2.038 386 HE2 TYR 47 HE2 TYR 47 -0.665 -7.280 -1.093 387 HH TYR 47 HH TYR 47 -3.525 -6.684 0.705 388 H CYS 48 H CYS 48 3.945 -4.705 -0.829 389 HA CYS 48 HA CYS 48 3.324 -7.396 -0.231 390 HB2 CYS 48 HB2 CYS 48 4.863 -7.972 -2.050 391 HB3 CYS 48 HB3 CYS 48 3.780 -6.670 -2.521 392 HG CYS 48 HG CYS 48 6.266 -5.030 -1.460 393 H GLU 49 H GLU 49 6.100 -5.354 0.501 394 HA GLU 49 HA GLU 49 7.794 -7.430 1.383 395 HB2 GLU 49 HB2 GLU 49 7.745 -4.482 2.013 396 HB3 GLU 49 HB3 GLU 49 9.014 -5.571 2.565 397 HG2 GLU 49 HG2 GLU 49 9.548 -6.103 0.232 398 HG3 GLU 49 HG3 GLU 49 8.293 -4.989 -0.299 399 H ARG 50 H ARG 50 5.425 -5.417 3.082 400 HA ARG 50 HA ARG 50 6.094 -6.581 5.638 401 HB2 ARG 50 HB2 ARG 50 4.271 -5.259 6.540 402 HB3 ARG 50 HB3 ARG 50 5.247 -4.263 5.472 403 HG2 ARG 50 HG2 ARG 50 3.591 -4.494 3.709 404 HG3 ARG 50 HG3 ARG 50 2.627 -5.552 4.740 405 HD2 ARG 50 HD2 ARG 50 3.289 -2.662 5.314 406 HD3 ARG 50 HD3 ARG 50 1.769 -3.267 4.682 407 HE ARG 50 HE ARG 50 1.534 -4.520 6.799 408 HH11 ARG 50 HH11 ARG 50 3.605 -1.687 6.708 409 HH12 ARG 50 HH12 ARG 50 3.450 -1.372 8.399 410 HH21 ARG 50 HH21 ARG 50 1.327 -4.097 9.023 411 HH22 ARG 50 HH22 ARG 50 2.152 -2.750 9.724 412 H GLN 51 H GLN 51 3.743 -7.165 3.117 413 HA GLN 51 HA GLN 51 2.169 -8.901 4.774 414 HB2 GLN 51 HB2 GLN 51 2.005 -8.152 1.879 415 HB3 GLN 51 HB3 GLN 51 0.953 -9.367 2.599 416 HG2 GLN 51 HG2 GLN 51 1.197 -6.503 3.475 417 HG3 GLN 51 HG3 GLN 51 -0.112 -7.186 2.510 418 HE21 GLN 51 HE21 GLN 51 1.370 -7.099 5.671 419 HE22 GLN 51 HE22 GLN 51 0.028 -7.767 6.530 420 H GLY 52 H GLY 52 4.992 -9.358 2.855 421 HA2 GLY 52 HA2 GLY 52 6.192 -11.344 2.889 422 HA3 GLY 52 HA3 GLY 52 4.727 -12.207 3.330 423 H LEU 53 H LEU 53 4.055 -10.140 0.795 424 HA LEU 53 HA LEU 53 4.206 -12.369 -1.096 425 HB2 LEU 53 HB2 LEU 53 2.647 -9.788 -1.175 426 HB3 LEU 53 HB3 LEU 53 2.725 -10.902 -2.521 427 HG LEU 53 HG LEU 53 0.667 -11.314 -1.471 428 HD11 LEU 53 HD11 LEU 53 1.873 -13.339 -2.058 429 HD12 LEU 53 HD12 LEU 53 0.810 -13.586 -0.674 430 HD13 LEU 53 HD13 LEU 53 2.547 -13.413 -0.428 431 HD21 LEU 53 HD21 LEU 53 1.080 -10.133 0.610 432 HD22 LEU 53 HD22 LEU 53 2.110 -11.452 1.167 433 HD23 LEU 53 HD23 LEU 53 0.386 -11.726 0.914 434 H SER 54 H SER 54 4.466 -11.530 -3.472 435 HA SER 54 HA SER 54 6.716 -9.650 -3.554 436 HB2 SER 54 HB2 SER 54 6.414 -12.288 -4.968 437 HB3 SER 54 HB3 SER 54 7.630 -11.097 -5.401 438 HG SER 54 HG SER 54 7.466 -11.780 -2.713 439 H MET 55 H MET 55 7.009 -8.607 -5.674 440 HA MET 55 HA MET 55 4.566 -7.650 -6.712 441 HB2 MET 55 HB2 MET 55 7.442 -7.297 -7.479 442 HB3 MET 55 HB3 MET 55 6.167 -6.688 -8.535 443 HG2 MET 55 HG2 MET 55 6.505 -6.000 -5.635 444 HG3 MET 55 HG3 MET 55 7.037 -5.000 -6.987 445 HE1 MET 55 HE1 MET 55 3.771 -3.435 -5.222 446 HE2 MET 55 HE2 MET 55 5.501 -3.197 -5.460 447 HE3 MET 55 HE3 MET 55 4.923 -4.530 -4.459 448 H ARG 56 H ARG 56 6.600 -10.278 -7.626 449 HA ARG 56 HA ARG 56 5.272 -10.629 -10.172 450 HB2 ARG 56 HB2 ARG 56 6.621 -12.775 -10.276 451 HB3 ARG 56 HB3 ARG 56 7.544 -11.286 -10.242 452 HG2 ARG 56 HG2 ARG 56 7.040 -12.621 -7.645 453 HG3 ARG 56 HG3 ARG 56 8.165 -13.399 -8.758 454 HD2 ARG 56 HD2 ARG 56 8.344 -10.542 -7.788 455 HD3 ARG 56 HD3 ARG 56 9.320 -11.889 -7.208 456 HE ARG 56 HE ARG 56 9.871 -11.976 -9.794 457 HH11 ARG 56 HH11 ARG 56 9.739 -9.205 -7.631 458 HH12 ARG 56 HH12 ARG 56 10.891 -8.295 -8.535 459 HH21 ARG 56 HH21 ARG 56 11.419 -10.771 -10.966 460 HH22 ARG 56 HH22 ARG 56 11.856 -9.189 -10.440 461 H GLN 57 H GLN 57 4.820 -11.514 -6.958 462 HA GLN 57 HA GLN 57 3.189 -13.835 -7.507 463 HB2 GLN 57 HB2 GLN 57 4.341 -12.539 -5.107 464 HB3 GLN 57 HB3 GLN 57 2.838 -13.431 -4.872 465 HG2 GLN 57 HG2 GLN 57 4.779 -14.802 -4.386 466 HG3 GLN 57 HG3 GLN 57 3.894 -15.441 -5.766 467 HE21 GLN 57 HE21 GLN 57 4.813 -15.236 -7.823 468 HE22 GLN 57 HE22 GLN 57 6.507 -14.980 -8.034 469 H ILE 58 H ILE 58 2.786 -10.518 -6.848 470 HA ILE 58 HA ILE 58 -0.142 -10.852 -7.022 471 HB ILE 58 HB ILE 58 -0.633 -9.330 -5.248 472 HG12 ILE 58 HG12 ILE 58 2.360 -8.905 -5.059 473 HG13 ILE 58 HG13 ILE 58 1.140 -7.729 -5.535 474 HG21 ILE 58 HG21 ILE 58 -0.188 -11.661 -4.616 475 HG22 ILE 58 HG22 ILE 58 0.204 -10.525 -3.319 476 HG23 ILE 58 HG23 ILE 58 1.495 -11.231 -4.294 477 HD11 ILE 58 HD11 ILE 58 1.394 -8.946 -2.799 478 HD12 ILE 58 HD12 ILE 58 0.226 -7.723 -3.298 479 HD13 ILE 58 HD13 ILE 58 1.946 -7.339 -3.273 480 H ARG 59 H ARG 59 -1.194 -8.599 -7.085 481 HA ARG 59 HA ARG 59 0.322 -6.589 -8.506 482 HB2 ARG 59 HB2 ARG 59 -1.723 -8.297 -9.849 483 HB3 ARG 59 HB3 ARG 59 -1.628 -6.599 -10.288 484 HG2 ARG 59 HG2 ARG 59 0.696 -8.506 -10.390 485 HG3 ARG 59 HG3 ARG 59 -0.331 -8.109 -11.768 486 HD2 ARG 59 HD2 ARG 59 0.267 -5.737 -11.479 487 HD3 ARG 59 HD3 ARG 59 1.361 -6.186 -10.176 488 HE ARG 59 HE ARG 59 2.314 -7.713 -12.093 489 HH11 ARG 59 HH11 ARG 59 1.323 -4.352 -12.320 490 HH12 ARG 59 HH12 ARG 59 2.446 -3.982 -13.579 491 HH21 ARG 59 HH21 ARG 59 3.810 -7.210 -13.742 492 HH22 ARG 59 HH22 ARG 59 3.886 -5.601 -14.371 493 H PHE 60 H PHE 60 -0.577 -4.586 -8.417 494 HA PHE 60 HA PHE 60 -2.860 -4.315 -6.615 495 HB2 PHE 60 HB2 PHE 60 -0.777 -2.297 -7.494 496 HB3 PHE 60 HB3 PHE 60 -2.095 -1.957 -6.375 497 HD1 PHE 60 HD1 PHE 60 0.798 -4.244 -6.840 498 HD2 PHE 60 HD2 PHE 60 -1.714 -2.191 -4.066 499 HE1 PHE 60 HE1 PHE 60 2.223 -4.991 -4.990 500 HE2 PHE 60 HE2 PHE 60 -0.280 -2.936 -2.228 501 HZ PHE 60 HZ PHE 60 1.688 -4.337 -2.688 502 H ARG 61 H ARG 61 -4.631 -3.078 -7.164 503 HA ARG 61 HA ARG 61 -4.840 -2.076 -9.910 504 HB2 ARG 61 HB2 ARG 61 -5.620 -4.287 -10.095 505 HB3 ARG 61 HB3 ARG 61 -6.584 -4.150 -8.627 506 HG2 ARG 61 HG2 ARG 61 -7.637 -2.163 -10.081 507 HG3 ARG 61 HG3 ARG 61 -7.131 -3.255 -11.372 508 HD2 ARG 61 HD2 ARG 61 -8.371 -4.685 -9.222 509 HD3 ARG 61 HD3 ARG 61 -9.402 -3.380 -9.821 510 HE ARG 61 HE ARG 61 -8.817 -4.426 -12.101 511 HH11 ARG 61 HH11 ARG 61 -9.299 -6.273 -9.120 512 HH12 ARG 61 HH12 ARG 61 -9.835 -7.687 -9.953 513 HH21 ARG 61 HH21 ARG 61 -9.509 -6.330 -13.182 514 HH22 ARG 61 HH22 ARG 61 -9.967 -7.723 -12.263 515 H PHE 62 H PHE 62 -6.435 -0.540 -10.217 516 HA PHE 62 HA PHE 62 -8.191 0.182 -8.079 517 HB2 PHE 62 HB2 PHE 62 -6.126 1.302 -7.451 518 HB3 PHE 62 HB3 PHE 62 -6.047 2.103 -9.018 519 HD1 PHE 62 HD1 PHE 62 -7.686 1.981 -5.764 520 HD2 PHE 62 HD2 PHE 62 -7.517 3.972 -9.516 521 HE1 PHE 62 HE1 PHE 62 -8.997 3.843 -4.836 522 HE2 PHE 62 HE2 PHE 62 -8.825 5.835 -8.598 523 HZ PHE 62 HZ PHE 62 -9.563 5.776 -6.253 524 H ASP 63 H ASP 63 -9.836 1.546 -8.798 525 HA ASP 63 HA ASP 63 -11.476 2.145 -10.334 526 HB2 ASP 63 HB2 ASP 63 -9.561 3.781 -10.773 527 HB3 ASP 63 HB3 ASP 63 -9.196 2.819 -12.180 528 H GLY 64 H GLY 64 -10.232 -0.558 -10.441 529 HA2 GLY 64 HA2 GLY 64 -10.785 -2.419 -11.617 530 HA3 GLY 64 HA3 GLY 64 -11.474 -1.425 -12.892 531 H GLN 65 H GLN 65 -8.721 0.032 -12.704 532 HA GLN 65 HA GLN 65 -7.423 -1.685 -14.702 533 HB2 GLN 65 HB2 GLN 65 -6.102 0.358 -15.256 534 HB3 GLN 65 HB3 GLN 65 -7.836 0.576 -15.446 535 HG2 GLN 65 HG2 GLN 65 -7.928 1.700 -13.288 536 HG3 GLN 65 HG3 GLN 65 -6.194 1.494 -13.098 537 HE21 GLN 65 HE21 GLN 65 -5.823 3.639 -12.965 538 HE22 GLN 65 HE22 GLN 65 -5.973 4.742 -14.279 539 HA PRO 66 HA PRO 66 -4.179 -2.809 -11.917 540 HB2 PRO 66 HB2 PRO 66 -2.176 -3.320 -13.667 541 HB3 PRO 66 HB3 PRO 66 -3.571 -4.387 -13.485 542 HG2 PRO 66 HG2 PRO 66 -3.045 -2.301 -15.565 543 HG3 PRO 66 HG3 PRO 66 -3.707 -3.933 -15.759 544 HD2 PRO 66 HD2 PRO 66 -5.261 -1.706 -15.712 545 HD3 PRO 66 HD3 PRO 66 -5.821 -3.285 -15.124 546 H ILE 67 H ILE 67 -2.633 -1.794 -10.759 547 HA ILE 67 HA ILE 67 -1.853 0.887 -11.585 548 HB ILE 67 HB ILE 67 -1.175 -0.538 -9.003 549 HG12 ILE 67 HG12 ILE 67 -3.552 1.241 -9.595 550 HG13 ILE 67 HG13 ILE 67 -3.611 -0.492 -9.298 551 HG21 ILE 67 HG21 ILE 67 0.172 1.427 -9.466 552 HG22 ILE 67 HG22 ILE 67 -0.923 1.722 -8.115 553 HG23 ILE 67 HG23 ILE 67 -1.287 2.388 -9.710 554 HD11 ILE 67 HD11 ILE 67 -2.752 -0.112 -7.029 555 HD12 ILE 67 HD12 ILE 67 -4.275 0.723 -7.326 556 HD13 ILE 67 HD13 ILE 67 -2.760 1.624 -7.336 557 H ASN 68 H ASN 68 0.358 1.606 -11.609 558 HA ASN 68 HA ASN 68 2.345 -0.537 -11.903 559 HB2 ASN 68 HB2 ASN 68 2.559 1.955 -13.543 560 HB3 ASN 68 HB3 ASN 68 3.206 0.353 -13.854 561 HD21 ASN 68 HD21 ASN 68 0.496 2.458 -14.130 562 HD22 ASN 68 HD22 ASN 68 -0.408 1.462 -15.189 563 H GLU 69 H GLU 69 4.586 0.494 -11.832 564 HA GLU 69 HA GLU 69 4.697 2.192 -9.531 565 HB2 GLU 69 HB2 GLU 69 7.132 1.956 -9.741 566 HB3 GLU 69 HB3 GLU 69 6.330 0.395 -9.843 567 HG2 GLU 69 HG2 GLU 69 6.452 0.792 -12.404 568 HG3 GLU 69 HG3 GLU 69 7.703 1.960 -11.978 569 H THR 70 H THR 70 4.300 2.715 -12.774 570 HA THR 70 HA THR 70 5.676 5.263 -12.873 571 HB THR 70 HB THR 70 4.774 5.283 -15.243 572 HG1 THR 70 HG1 THR 70 3.210 3.863 -15.514 573 HG21 THR 70 HG21 THR 70 7.050 4.559 -14.752 574 HG22 THR 70 HG22 THR 70 6.354 3.547 -16.020 575 HG23 THR 70 HG23 THR 70 6.466 2.940 -14.366 576 H ASP 71 H ASP 71 2.799 4.206 -11.707 577 HA ASP 71 HA ASP 71 1.396 6.651 -12.499 578 HB2 ASP 71 HB2 ASP 71 0.475 3.959 -11.720 579 HB3 ASP 71 HB3 ASP 71 -0.518 5.314 -11.205 580 H THR 72 H THR 72 0.615 8.099 -11.050 581 HA THR 72 HA THR 72 1.470 7.778 -8.261 582 HB THR 72 HB THR 72 0.898 10.408 -8.434 583 HG1 THR 72 HG1 THR 72 2.217 10.605 -10.703 584 HG21 THR 72 HG21 THR 72 3.314 10.796 -8.775 585 HG22 THR 72 HG22 THR 72 3.500 9.096 -9.217 586 HG23 THR 72 HG23 THR 72 2.974 9.539 -7.588 587 HA PRO 73 HA PRO 73 -2.690 7.747 -6.768 588 HB2 PRO 73 HB2 PRO 73 -2.594 9.708 -4.810 589 HB3 PRO 73 HB3 PRO 73 -2.061 8.039 -4.588 590 HG2 PRO 73 HG2 PRO 73 -0.441 10.480 -5.206 591 HG3 PRO 73 HG3 PRO 73 -0.068 9.136 -4.108 592 HD2 PRO 73 HD2 PRO 73 1.056 9.349 -6.507 593 HD3 PRO 73 HD3 PRO 73 0.603 7.764 -5.845 594 H ALA 74 H ALA 74 -1.289 10.821 -7.614 595 HA ALA 74 HA ALA 74 -3.769 12.262 -7.679 596 HB1 ALA 74 HB1 ALA 74 -1.683 13.363 -7.132 597 HB2 ALA 74 HB2 ALA 74 -2.404 14.078 -8.583 598 HB3 ALA 74 HB3 ALA 74 -1.045 12.954 -8.726 599 H GLN 75 H GLN 75 -2.311 10.071 -9.799 600 HA GLN 75 HA GLN 75 -3.126 11.337 -12.250 601 HB2 GLN 75 HB2 GLN 75 -2.019 8.649 -11.571 602 HB3 GLN 75 HB3 GLN 75 -2.538 9.035 -13.209 603 HG2 GLN 75 HG2 GLN 75 -0.312 10.251 -11.600 604 HG3 GLN 75 HG3 GLN 75 -0.203 9.371 -13.122 605 HE21 GLN 75 HE21 GLN 75 -0.897 12.392 -11.607 606 HE22 GLN 75 HE22 GLN 75 -0.986 13.333 -13.052 607 H LEU 76 H LEU 76 -4.354 8.767 -10.196 608 HA LEU 76 HA LEU 76 -6.636 8.387 -11.979 609 HB2 LEU 76 HB2 LEU 76 -6.663 6.957 -9.418 610 HB3 LEU 76 HB3 LEU 76 -6.921 6.348 -11.037 611 HG LEU 76 HG LEU 76 -4.286 6.683 -11.189 612 HD11 LEU 76 HD11 LEU 76 -3.171 6.265 -9.132 613 HD12 LEU 76 HD12 LEU 76 -4.702 6.063 -8.282 614 HD13 LEU 76 HD13 LEU 76 -4.239 7.650 -8.882 615 HD21 LEU 76 HD21 LEU 76 -5.547 4.351 -9.748 616 HD22 LEU 76 HD22 LEU 76 -4.036 4.343 -10.661 617 HD23 LEU 76 HD23 LEU 76 -5.571 4.589 -11.493 618 H GLU 77 H GLU 77 -5.810 10.531 -9.728 619 HA GLU 77 HA GLU 77 -6.828 11.930 -8.296 620 HB2 GLU 77 HB2 GLU 77 -8.074 12.347 -10.460 621 HB3 GLU 77 HB3 GLU 77 -9.354 11.318 -9.827 622 HG2 GLU 77 HG2 GLU 77 -9.596 12.802 -7.922 623 HG3 GLU 77 HG3 GLU 77 -8.328 13.834 -8.578 624 H MET 78 H MET 78 -6.481 9.577 -7.149 625 HA MET 78 HA MET 78 -8.951 8.547 -6.079 626 HB2 MET 78 HB2 MET 78 -7.606 6.918 -4.974 627 HB3 MET 78 HB3 MET 78 -6.968 7.122 -6.601 628 HG2 MET 78 HG2 MET 78 -5.398 8.845 -5.400 629 HG3 MET 78 HG3 MET 78 -5.787 7.863 -3.988 630 HE1 MET 78 HE1 MET 78 -6.251 5.098 -5.882 631 HE2 MET 78 HE2 MET 78 -5.637 5.074 -4.227 632 HE3 MET 78 HE3 MET 78 -4.725 4.293 -5.524 633 H GLU 79 H GLU 79 -9.450 8.531 -3.820 634 HA GLU 79 HA GLU 79 -8.697 11.061 -2.538 635 HB2 GLU 79 HB2 GLU 79 -10.728 10.834 -1.284 636 HB3 GLU 79 HB3 GLU 79 -11.111 10.492 -2.968 637 HG2 GLU 79 HG2 GLU 79 -10.903 8.066 -2.445 638 HG3 GLU 79 HG3 GLU 79 -10.715 8.501 -0.753 639 H ASP 80 H ASP 80 -8.306 11.034 -0.151 640 HA ASP 80 HA ASP 80 -6.662 9.058 0.760 641 HB2 ASP 80 HB2 ASP 80 -6.971 9.957 2.976 642 HB3 ASP 80 HB3 ASP 80 -6.925 11.293 1.826 643 H GLU 81 H GLU 81 -6.882 7.325 2.008 644 HA GLU 81 HA GLU 81 -7.722 5.415 2.858 645 HB2 GLU 81 HB2 GLU 81 -10.240 7.041 3.088 646 HB3 GLU 81 HB3 GLU 81 -10.105 5.391 3.671 647 HG2 GLU 81 HG2 GLU 81 -8.053 6.326 4.969 648 HG3 GLU 81 HG3 GLU 81 -8.837 7.877 4.685 649 H ASP 82 H ASP 82 -7.933 6.162 -0.060 650 HA ASP 82 HA ASP 82 -10.221 4.783 -1.028 651 HB2 ASP 82 HB2 ASP 82 -8.258 6.365 -2.205 652 HB3 ASP 82 HB3 ASP 82 -8.011 4.769 -2.916 653 H THR 83 H THR 83 -10.186 2.738 -2.248 654 HA THR 83 HA THR 83 -8.533 0.842 -0.737 655 HB THR 83 HB THR 83 -11.055 0.244 -2.283 656 HG1 THR 83 HG1 THR 83 -10.795 1.574 -0.019 657 HG21 THR 83 HG21 THR 83 -9.533 -1.667 -1.892 658 HG22 THR 83 HG22 THR 83 -11.051 -1.829 -1.014 659 HG23 THR 83 HG23 THR 83 -9.589 -1.331 -0.161 660 H ILE 84 H ILE 84 -6.855 -0.032 -1.733 661 HA ILE 84 HA ILE 84 -6.744 -0.258 -4.622 662 HB ILE 84 HB ILE 84 -4.735 -1.199 -2.545 663 HG12 ILE 84 HG12 ILE 84 -5.245 1.258 -2.392 664 HG13 ILE 84 HG13 ILE 84 -3.572 0.883 -2.780 665 HG21 ILE 84 HG21 ILE 84 -4.380 -2.234 -4.663 666 HG22 ILE 84 HG22 ILE 84 -3.152 -0.976 -4.456 667 HG23 ILE 84 HG23 ILE 84 -4.542 -0.690 -5.503 668 HD11 ILE 84 HD11 ILE 84 -4.372 2.744 -4.064 669 HD12 ILE 84 HD12 ILE 84 -5.700 1.769 -4.700 670 HD13 ILE 84 HD13 ILE 84 -4.029 1.374 -5.119 671 H ASP 85 H ASP 85 -6.969 -2.186 -5.714 672 HA ASP 85 HA ASP 85 -7.729 -4.519 -4.096 673 HB2 ASP 85 HB2 ASP 85 -9.350 -3.795 -5.826 674 HB3 ASP 85 HB3 ASP 85 -8.110 -4.047 -7.055 675 H VAL 86 H VAL 86 -6.259 -5.999 -3.787 676 HA VAL 86 HA VAL 86 -4.151 -6.350 -5.815 677 HB VAL 86 HB VAL 86 -4.078 -6.936 -2.845 678 HG11 VAL 86 HG11 VAL 86 -1.800 -7.726 -3.177 679 HG12 VAL 86 HG12 VAL 86 -1.943 -7.474 -4.916 680 HG13 VAL 86 HG13 VAL 86 -2.919 -8.711 -4.122 681 HG21 VAL 86 HG21 VAL 86 -2.469 -5.086 -4.581 682 HG22 VAL 86 HG22 VAL 86 -2.274 -5.319 -2.844 683 HG23 VAL 86 HG23 VAL 86 -3.759 -4.613 -3.479 684 H PHE 87 H PHE 87 -3.732 -8.345 -6.602 685 HA PHE 87 HA PHE 87 -5.342 -10.551 -5.625 686 HB2 PHE 87 HB2 PHE 87 -5.758 -11.182 -8.093 687 HB3 PHE 87 HB3 PHE 87 -6.756 -9.923 -7.380 688 HD1 PHE 87 HD1 PHE 87 -6.499 -7.588 -8.042 689 HD2 PHE 87 HD2 PHE 87 -4.156 -10.682 -9.818 690 HE1 PHE 87 HE1 PHE 87 -5.879 -6.083 -9.851 691 HE2 PHE 87 HE2 PHE 87 -3.535 -9.158 -11.642 692 HZ PHE 87 HZ PHE 87 -4.398 -6.848 -11.661 693 H GLN 88 H GLN 88 -4.517 -12.614 -6.270 694 HA GLN 88 HA GLN 88 -1.626 -12.553 -6.233 695 HB2 GLN 88 HB2 GLN 88 -3.171 -14.062 -4.821 696 HB3 GLN 88 HB3 GLN 88 -3.349 -15.015 -6.281 697 HG2 GLN 88 HG2 GLN 88 -1.662 -16.075 -5.029 698 HG3 GLN 88 HG3 GLN 88 -0.849 -15.214 -6.335 699 HE21 GLN 88 HE21 GLN 88 -2.087 -13.482 -3.575 700 HE22 GLN 88 HE22 GLN 88 -0.549 -13.135 -2.876 701 H GLN 89 H GLN 89 -0.491 -12.562 -8.029 702 HA GLN 89 HA GLN 89 -1.646 -13.545 -10.510 703 HB2 GLN 89 HB2 GLN 89 0.791 -11.926 -9.859 704 HB3 GLN 89 HB3 GLN 89 0.595 -12.664 -11.444 705 HG2 GLN 89 HG2 GLN 89 -1.378 -10.769 -10.185 706 HG3 GLN 89 HG3 GLN 89 -0.137 -10.308 -11.350 707 HE21 GLN 89 HE21 GLN 89 -1.659 -9.596 -12.846 708 HE22 GLN 89 HE22 GLN 89 -2.641 -10.693 -13.749 709 H GLN 90 H GLN 90 -0.746 -15.281 -8.290 710 HA GLN 90 HA GLN 90 1.232 -16.874 -9.760 711 HB2 GLN 90 HB2 GLN 90 0.768 -16.505 -6.853 712 HB3 GLN 90 HB3 GLN 90 1.211 -18.125 -7.383 713 HG2 GLN 90 HG2 GLN 90 2.750 -15.580 -7.622 714 HG3 GLN 90 HG3 GLN 90 3.201 -17.062 -6.786 715 HE21 GLN 90 HE21 GLN 90 3.887 -18.850 -8.020 716 HE22 GLN 90 HE22 GLN 90 4.461 -18.652 -9.641 717 H THR 91 H THR 91 0.219 -18.272 -10.974 718 HA THR 91 HA THR 91 -2.365 -19.292 -10.189 719 HB THR 91 HB THR 91 -0.773 -19.900 -12.681 720 HG1 THR 91 HG1 THR 91 -2.817 -18.166 -13.047 721 HG21 THR 91 HG21 THR 91 -2.636 -21.440 -12.214 722 HG22 THR 91 HG22 THR 91 -2.965 -20.441 -13.631 723 HG23 THR 91 HG23 THR 91 -3.733 -20.064 -12.088 724 H GLY 92 H GLY 92 -2.118 -20.791 -8.597 725 HA2 GLY 92 HA2 GLY 92 -1.206 -23.374 -9.325 726 HA3 GLY 92 HA3 GLY 92 -0.060 -22.595 -8.241 727 H GLY 93 H GLY 93 -1.272 -24.892 -7.437 728 HA2 GLY 93 HA2 GLY 93 -3.519 -24.110 -5.734 729 HA3 GLY 93 HA3 GLY 93 -2.947 -25.751 -6.007 Start of MODEL 6 1 H MET 1 H MET 1 17.409 -3.716 3.490 2 HA MET 1 HA MET 1 18.981 -2.511 4.798 3 HB2 MET 1 HB2 MET 1 20.537 -1.916 3.071 4 HB3 MET 1 HB3 MET 1 19.592 -3.277 2.488 5 HG2 MET 1 HG2 MET 1 19.063 -0.402 1.759 6 HG3 MET 1 HG3 MET 1 20.020 -1.511 0.790 7 HE1 MET 1 HE1 MET 1 19.055 -3.508 -0.590 8 HE2 MET 1 HE2 MET 1 17.399 -4.096 -0.449 9 HE3 MET 1 HE3 MET 1 18.504 -4.240 0.916 10 H ALA 2 H ALA 2 16.862 -0.421 2.908 11 HA ALA 2 HA ALA 2 18.095 1.946 4.096 12 HB1 ALA 2 HB1 ALA 2 17.726 1.951 1.673 13 HB2 ALA 2 HB2 ALA 2 16.808 3.227 2.475 14 HB3 ALA 2 HB3 ALA 2 15.994 1.756 1.942 15 H ASP 3 H ASP 3 15.816 -0.148 5.031 16 HA ASP 3 HA ASP 3 13.947 1.873 6.032 17 HB2 ASP 3 HB2 ASP 3 13.044 -0.194 4.938 18 HB3 ASP 3 HB3 ASP 3 13.749 -1.147 6.237 19 H GLU 4 H GLU 4 16.773 1.034 6.931 20 HA GLU 4 HA GLU 4 16.444 0.166 9.636 21 HB2 GLU 4 HB2 GLU 4 18.834 1.419 8.285 22 HB3 GLU 4 HB3 GLU 4 18.844 0.746 9.908 23 HG2 GLU 4 HG2 GLU 4 18.359 -0.739 7.339 24 HG3 GLU 4 HG3 GLU 4 19.774 -0.852 8.385 25 H LYS 5 H LYS 5 14.954 1.537 10.497 26 HA LYS 5 HA LYS 5 14.041 3.398 11.443 27 HB2 LYS 5 HB2 LYS 5 16.888 3.572 12.419 28 HB3 LYS 5 HB3 LYS 5 15.581 4.550 13.067 29 HG2 LYS 5 HG2 LYS 5 15.240 1.595 13.020 30 HG3 LYS 5 HG3 LYS 5 16.342 2.290 14.204 31 HD2 LYS 5 HD2 LYS 5 14.168 2.053 15.223 32 HD3 LYS 5 HD3 LYS 5 14.484 3.766 14.981 33 HE2 LYS 5 HE2 LYS 5 13.037 3.808 13.052 34 HE3 LYS 5 HE3 LYS 5 12.825 2.059 13.122 35 HZ1 LYS 5 HZ1 LYS 5 11.696 2.312 15.233 36 HZ2 LYS 5 HZ2 LYS 5 10.932 3.256 14.066 37 HZ3 LYS 5 HZ3 LYS 5 11.941 3.982 15.209 38 HA PRO 6 HA PRO 6 15.507 6.443 8.301 39 HB2 PRO 6 HB2 PRO 6 13.123 6.820 7.093 40 HB3 PRO 6 HB3 PRO 6 14.222 5.522 6.627 41 HG2 PRO 6 HG2 PRO 6 11.762 5.427 8.311 42 HG3 PRO 6 HG3 PRO 6 12.356 4.248 7.130 43 HD2 PRO 6 HD2 PRO 6 12.635 3.988 9.853 44 HD3 PRO 6 HD3 PRO 6 13.705 3.220 8.664 45 H LYS 7 H LYS 7 14.729 8.653 7.956 46 HA LYS 7 HA LYS 7 14.059 9.954 10.353 47 HB2 LYS 7 HB2 LYS 7 13.875 12.001 8.851 48 HB3 LYS 7 HB3 LYS 7 15.415 11.162 8.885 49 HG2 LYS 7 HG2 LYS 7 15.056 11.650 6.619 50 HG3 LYS 7 HG3 LYS 7 14.611 9.954 6.788 51 HD2 LYS 7 HD2 LYS 7 12.267 10.549 6.872 52 HD3 LYS 7 HD3 LYS 7 12.681 12.261 6.744 53 HE2 LYS 7 HE2 LYS 7 11.987 11.248 4.586 54 HE3 LYS 7 HE3 LYS 7 13.614 11.928 4.556 55 HZ1 LYS 7 HZ1 LYS 7 12.976 9.051 4.935 56 HZ2 LYS 7 HZ2 LYS 7 14.525 9.721 4.782 57 HZ3 LYS 7 HZ3 LYS 7 13.462 9.749 3.470 58 H GLU 8 H GLU 8 11.954 8.342 8.364 59 HA GLU 8 HA GLU 8 9.746 10.152 8.488 60 HB2 GLU 8 HB2 GLU 8 9.881 7.202 7.940 61 HB3 GLU 8 HB3 GLU 8 8.391 8.137 7.850 62 HG2 GLU 8 HG2 GLU 8 8.906 8.353 5.692 63 HG3 GLU 8 HG3 GLU 8 10.080 9.552 6.242 64 H GLY 9 H GLY 9 7.749 9.716 9.685 65 HA2 GLY 9 HA2 GLY 9 6.706 8.545 11.557 66 HA3 GLY 9 HA3 GLY 9 8.305 8.441 12.288 67 H VAL 10 H VAL 10 8.601 11.254 11.066 68 HA VAL 10 HA VAL 10 7.974 12.680 13.463 69 HB VAL 10 HB VAL 10 8.989 13.712 10.795 70 HG11 VAL 10 HG11 VAL 10 8.023 15.499 12.144 71 HG12 VAL 10 HG12 VAL 10 9.776 15.662 12.048 72 HG13 VAL 10 HG13 VAL 10 9.029 15.022 13.514 73 HG21 VAL 10 HG21 VAL 10 11.205 13.674 11.855 74 HG22 VAL 10 HG22 VAL 10 10.496 12.064 11.743 75 HG23 VAL 10 HG23 VAL 10 10.495 12.922 13.284 76 H LYS 11 H LYS 11 6.579 14.500 13.589 77 HA LYS 11 HA LYS 11 4.030 14.081 12.436 78 HB2 LYS 11 HB2 LYS 11 5.127 16.527 13.827 79 HB3 LYS 11 HB3 LYS 11 3.440 16.305 13.398 80 HG2 LYS 11 HG2 LYS 11 5.037 14.681 15.369 81 HG3 LYS 11 HG3 LYS 11 3.737 15.814 15.726 82 HD2 LYS 11 HD2 LYS 11 2.454 13.954 15.759 83 HD3 LYS 11 HD3 LYS 11 2.486 14.129 14.007 84 HE2 LYS 11 HE2 LYS 11 3.015 11.847 14.545 85 HE3 LYS 11 HE3 LYS 11 4.479 12.629 13.955 86 HZ1 LYS 11 HZ1 LYS 11 3.801 12.168 16.810 87 HZ2 LYS 11 HZ2 LYS 11 5.221 12.888 16.247 88 HZ3 LYS 11 HZ3 LYS 11 4.906 11.261 15.912 89 H THR 12 H THR 12 3.473 14.416 10.414 90 HA THR 12 HA THR 12 4.549 16.761 9.033 91 HB THR 12 HB THR 12 4.143 14.969 7.002 92 HG1 THR 12 HG1 THR 12 5.036 13.612 9.323 93 HG21 THR 12 HG21 THR 12 6.693 15.506 8.520 94 HG22 THR 12 HG22 THR 12 6.012 16.504 7.233 95 HG23 THR 12 HG23 THR 12 6.590 14.873 6.874 96 H GLU 13 H GLU 13 2.789 18.040 8.933 97 HA GLU 13 HA GLU 13 0.460 16.935 7.584 98 HB2 GLU 13 HB2 GLU 13 -1.060 18.082 9.114 99 HB3 GLU 13 HB3 GLU 13 -0.070 16.908 9.969 100 HG2 GLU 13 HG2 GLU 13 1.379 18.696 10.760 101 HG3 GLU 13 HG3 GLU 13 0.408 19.878 9.888 102 H ASN 14 H ASN 14 -0.785 18.425 6.443 103 HA ASN 14 HA ASN 14 -1.285 20.354 5.275 104 HB2 ASN 14 HB2 ASN 14 0.685 21.687 7.159 105 HB3 ASN 14 HB3 ASN 14 -0.429 22.521 6.081 106 HD21 ASN 14 HD21 ASN 14 0.035 21.931 9.136 107 HD22 ASN 14 HD22 ASN 14 -1.586 21.795 9.719 108 H ASN 15 H ASN 15 0.859 18.501 4.757 109 HA ASN 15 HA ASN 15 2.731 20.157 3.232 110 HB2 ASN 15 HB2 ASN 15 4.268 18.210 3.405 111 HB3 ASN 15 HB3 ASN 15 3.864 18.924 4.960 112 HD21 ASN 15 HD21 ASN 15 4.847 16.308 4.480 113 HD22 ASN 15 HD22 ASN 15 3.649 15.205 5.064 114 H ASP 16 H ASP 16 -0.070 18.752 2.611 115 HA ASP 16 HA ASP 16 -1.060 18.131 0.746 116 HB2 ASP 16 HB2 ASP 16 0.652 19.620 -0.385 117 HB3 ASP 16 HB3 ASP 16 1.600 18.168 -0.681 118 H HIS 17 H HIS 17 -0.809 16.222 2.415 119 HA HIS 17 HA HIS 17 -0.058 13.920 0.759 120 HB2 HIS 17 HB2 HIS 17 0.847 12.718 2.565 121 HB3 HIS 17 HB3 HIS 17 1.462 14.345 2.796 122 HD1 HIS 17 HD1 HIS 17 0.465 15.696 4.825 123 HD2 HIS 17 HD2 HIS 17 -0.783 11.742 4.590 124 HE1 HIS 17 HE1 HIS 17 -0.532 15.166 7.064 125 HE2 HIS 17 HE2 HIS 17 -0.981 12.707 6.980 126 H ILE 18 H ILE 18 -1.216 11.953 1.215 127 HA ILE 18 HA ILE 18 -3.879 12.318 2.395 128 HB ILE 18 HB ILE 18 -4.945 11.128 0.492 129 HG12 ILE 18 HG12 ILE 18 -2.355 11.597 -0.996 130 HG13 ILE 18 HG13 ILE 18 -2.816 10.048 -0.304 131 HG21 ILE 18 HG21 ILE 18 -4.950 13.001 -1.098 132 HG22 ILE 18 HG22 ILE 18 -3.544 13.682 -0.282 133 HG23 ILE 18 HG23 ILE 18 -5.081 13.546 0.574 134 HD11 ILE 18 HD11 ILE 18 -4.781 9.986 -1.759 135 HD12 ILE 18 HD12 ILE 18 -3.286 10.125 -2.685 136 HD13 ILE 18 HD13 ILE 18 -4.313 11.541 -2.453 137 H ASN 19 H ASN 19 -5.034 10.145 2.463 138 HA ASN 19 HA ASN 19 -3.113 8.086 3.305 139 HB2 ASN 19 HB2 ASN 19 -4.546 8.795 5.128 140 HB3 ASN 19 HB3 ASN 19 -5.981 8.611 4.129 141 HD21 ASN 19 HD21 ASN 19 -3.509 6.935 5.930 142 HD22 ASN 19 HD22 ASN 19 -4.320 5.417 6.007 143 H LEU 20 H LEU 20 -3.077 6.168 2.368 144 HA LEU 20 HA LEU 20 -5.251 5.506 0.499 145 HB2 LEU 20 HB2 LEU 20 -2.290 4.994 0.091 146 HB3 LEU 20 HB3 LEU 20 -3.556 4.354 -0.927 147 HG LEU 20 HG LEU 20 -2.595 6.165 -2.109 148 HD11 LEU 20 HD11 LEU 20 -4.406 7.740 -2.371 149 HD12 LEU 20 HD12 LEU 20 -5.110 7.218 -0.842 150 HD13 LEU 20 HD13 LEU 20 -5.033 6.100 -2.204 151 HD21 LEU 20 HD21 LEU 20 -1.509 7.166 -0.105 152 HD22 LEU 20 HD22 LEU 20 -3.047 7.956 0.254 153 HD23 LEU 20 HD23 LEU 20 -2.188 8.329 -1.244 154 H LYS 21 H LYS 21 -5.821 3.311 0.440 155 HA LYS 21 HA LYS 21 -4.490 1.663 2.463 156 HB2 LYS 21 HB2 LYS 21 -7.480 1.902 2.104 157 HB3 LYS 21 HB3 LYS 21 -6.662 0.816 3.222 158 HG2 LYS 21 HG2 LYS 21 -5.690 2.787 4.356 159 HG3 LYS 21 HG3 LYS 21 -6.631 3.823 3.286 160 HD2 LYS 21 HD2 LYS 21 -7.802 1.783 5.183 161 HD3 LYS 21 HD3 LYS 21 -7.705 3.516 5.493 162 HE2 LYS 21 HE2 LYS 21 -9.062 3.883 3.429 163 HE3 LYS 21 HE3 LYS 21 -9.277 2.138 3.317 164 HZ1 LYS 21 HZ1 LYS 21 -10.295 2.218 5.554 165 HZ2 LYS 21 HZ2 LYS 21 -11.162 3.095 4.403 166 HZ3 LYS 21 HZ3 LYS 21 -10.193 3.910 5.526 167 H VAL 22 H VAL 22 -4.458 -0.503 2.053 168 HA VAL 22 HA VAL 22 -5.270 -1.263 -0.663 169 HB VAL 22 HB VAL 22 -2.871 -0.888 -0.687 170 HG11 VAL 22 HG11 VAL 22 -1.349 -1.836 0.764 171 HG12 VAL 22 HG12 VAL 22 -2.577 -2.882 1.482 172 HG13 VAL 22 HG13 VAL 22 -2.640 -1.141 1.750 173 HG21 VAL 22 HG21 VAL 22 -2.060 -3.095 -1.325 174 HG22 VAL 22 HG22 VAL 22 -3.656 -2.766 -1.999 175 HG23 VAL 22 HG23 VAL 22 -3.492 -3.822 -0.596 176 H ALA 23 H ALA 23 -6.292 -3.165 -0.853 177 HA ALA 23 HA ALA 23 -6.437 -4.886 1.535 178 HB1 ALA 23 HB1 ALA 23 -8.506 -3.625 1.258 179 HB2 ALA 23 HB2 ALA 23 -8.772 -5.345 0.973 180 HB3 ALA 23 HB3 ALA 23 -8.666 -4.230 -0.390 181 H GLY 24 H GLY 24 -6.256 -7.031 1.176 182 HA2 GLY 24 HA2 GLY 24 -5.806 -7.890 -1.608 183 HA3 GLY 24 HA3 GLY 24 -4.992 -8.594 -0.216 184 H GLN 25 H GLN 25 -6.376 -10.119 -2.111 185 HA GLN 25 HA GLN 25 -9.051 -10.708 -1.416 186 HB2 GLN 25 HB2 GLN 25 -7.149 -12.791 -2.466 187 HB3 GLN 25 HB3 GLN 25 -8.865 -12.625 -2.777 188 HG2 GLN 25 HG2 GLN 25 -6.656 -10.897 -3.854 189 HG3 GLN 25 HG3 GLN 25 -7.601 -12.080 -4.755 190 HE21 GLN 25 HE21 GLN 25 -7.414 -8.910 -3.537 191 HE22 GLN 25 HE22 GLN 25 -8.864 -8.298 -4.220 192 H ASP 26 H ASP 26 -6.093 -11.394 0.100 193 HA ASP 26 HA ASP 26 -6.903 -13.761 1.500 194 HB2 ASP 26 HB2 ASP 26 -4.524 -11.991 2.043 195 HB3 ASP 26 HB3 ASP 26 -4.738 -13.668 2.531 196 H GLY 27 H GLY 27 -8.200 -10.865 1.885 197 HA2 GLY 27 HA2 GLY 27 -9.281 -9.909 3.637 198 HA3 GLY 27 HA3 GLY 27 -8.848 -11.321 4.585 199 H SER 28 H SER 28 -6.645 -9.015 3.064 200 HA SER 28 HA SER 28 -5.931 -8.083 5.755 201 HB2 SER 28 HB2 SER 28 -4.326 -9.843 4.909 202 HB3 SER 28 HB3 SER 28 -3.885 -8.724 3.621 203 HG SER 28 HG SER 28 -2.463 -8.151 5.076 204 H VAL 29 H VAL 29 -5.136 -5.948 5.873 205 HA VAL 29 HA VAL 29 -5.094 -4.371 3.439 206 HB VAL 29 HB VAL 29 -7.415 -4.189 3.925 207 HG11 VAL 29 HG11 VAL 29 -7.424 -5.041 6.165 208 HG12 VAL 29 HG12 VAL 29 -8.297 -3.509 6.105 209 HG13 VAL 29 HG13 VAL 29 -6.661 -3.570 6.765 210 HG21 VAL 29 HG21 VAL 29 -6.050 -1.734 5.033 211 HG22 VAL 29 HG22 VAL 29 -7.721 -1.808 4.472 212 HG23 VAL 29 HG23 VAL 29 -6.396 -2.058 3.333 213 H VAL 30 H VAL 30 -3.732 -2.650 3.533 214 HA VAL 30 HA VAL 30 -2.602 -1.957 6.166 215 HB VAL 30 HB VAL 30 -1.009 -1.732 3.631 216 HG11 VAL 30 HG11 VAL 30 -0.233 -0.511 5.593 217 HG12 VAL 30 HG12 VAL 30 0.894 -1.794 5.153 218 HG13 VAL 30 HG13 VAL 30 -0.199 -2.010 6.521 219 HG21 VAL 30 HG21 VAL 30 -1.650 -4.047 3.730 220 HG22 VAL 30 HG22 VAL 30 -1.166 -4.150 5.425 221 HG23 VAL 30 HG23 VAL 30 0.052 -3.896 4.170 222 H GLN 31 H GLN 31 -2.453 0.222 6.612 223 HA GLN 31 HA GLN 31 -3.459 2.013 4.516 224 HB2 GLN 31 HB2 GLN 31 -3.392 2.489 7.504 225 HB3 GLN 31 HB3 GLN 31 -4.143 3.525 6.306 226 HG2 GLN 31 HG2 GLN 31 -5.992 2.430 7.072 227 HG3 GLN 31 HG3 GLN 31 -5.513 1.335 5.778 228 HE21 GLN 31 HE21 GLN 31 -4.802 -0.686 6.264 229 HE22 GLN 31 HE22 GLN 31 -4.841 -1.360 7.854 230 H PHE 32 H PHE 32 -2.374 3.886 3.959 231 HA PHE 32 HA PHE 32 0.269 4.325 5.214 232 HB2 PHE 32 HB2 PHE 32 -0.181 4.450 2.229 233 HB3 PHE 32 HB3 PHE 32 1.348 4.552 3.090 234 HD1 PHE 32 HD1 PHE 32 -1.396 2.326 2.101 235 HD2 PHE 32 HD2 PHE 32 2.533 2.591 3.711 236 HE1 PHE 32 HE1 PHE 32 -1.114 -0.074 1.808 237 HE2 PHE 32 HE2 PHE 32 2.815 0.160 3.423 238 HZ PHE 32 HZ PHE 32 0.970 -1.175 2.468 239 HH31 ALY 33 HH31 ALY 33 -5.768 12.940 5.624 240 HH32 ALY 33 HH32 ALY 33 -5.460 12.531 7.325 241 HH33 ALY 33 HH33 ALY 33 -6.259 11.369 6.244 242 HZ ALY 33 HZ ALY 33 -4.348 10.227 7.370 243 HE3 ALY 33 HE3 ALY 33 -1.750 10.836 6.148 244 HE2 ALY 33 HE2 ALY 33 -2.026 10.481 7.854 245 HD3 ALY 33 HD3 ALY 33 -2.741 8.190 7.195 246 HD2 ALY 33 HD2 ALY 33 -2.283 8.587 5.536 247 HG3 ALY 33 HG3 ALY 33 -0.358 8.784 7.842 248 HG2 ALY 33 HG2 ALY 33 -0.572 7.308 6.903 249 HB3 ALY 33 HB3 ALY 33 0.178 9.977 5.726 250 HB2 ALY 33 HB2 ALY 33 1.337 8.741 6.180 251 HCA ALY 33 HCA ALY 33 -0.793 8.494 4.031 252 H ALY 33 H ALY 33 1.180 6.441 4.787 253 H ILE 34 H ILE 34 -0.030 8.894 1.971 254 HA ILE 34 HA ILE 34 2.780 9.768 1.783 255 HB ILE 34 HB ILE 34 3.083 8.773 -0.373 256 HG12 ILE 34 HG12 ILE 34 0.233 7.779 -0.222 257 HG13 ILE 34 HG13 ILE 34 0.757 9.152 -1.190 258 HG21 ILE 34 HG21 ILE 34 2.851 6.379 0.116 259 HG22 ILE 34 HG22 ILE 34 1.779 6.773 1.466 260 HG23 ILE 34 HG23 ILE 34 3.472 7.281 1.502 261 HD11 ILE 34 HD11 ILE 34 1.701 6.315 -1.525 262 HD12 ILE 34 HD12 ILE 34 2.163 7.692 -2.524 263 HD13 ILE 34 HD13 ILE 34 0.494 7.123 -2.523 264 H LYS 35 H LYS 35 2.982 10.878 -0.567 265 HA LYS 35 HA LYS 35 1.007 13.005 -0.441 266 HB2 LYS 35 HB2 LYS 35 3.600 12.895 -1.972 267 HB3 LYS 35 HB3 LYS 35 2.598 14.307 -1.681 268 HG2 LYS 35 HG2 LYS 35 3.277 14.531 0.484 269 HG3 LYS 35 HG3 LYS 35 3.629 12.812 0.666 270 HD2 LYS 35 HD2 LYS 35 5.745 13.748 0.617 271 HD3 LYS 35 HD3 LYS 35 5.506 13.263 -1.058 272 HE2 LYS 35 HE2 LYS 35 5.326 16.026 0.120 273 HE3 LYS 35 HE3 LYS 35 6.464 15.401 -1.072 274 HZ1 LYS 35 HZ1 LYS 35 4.615 15.184 -2.637 275 HZ2 LYS 35 HZ2 LYS 35 4.836 16.778 -2.146 276 HZ3 LYS 35 HZ3 LYS 35 3.560 15.872 -1.511 277 H ARG 36 H ARG 36 -0.005 13.791 -2.343 278 HA ARG 36 HA ARG 36 -1.028 11.743 -4.006 279 HB2 ARG 36 HB2 ARG 36 -2.161 13.609 -5.179 280 HB3 ARG 36 HB3 ARG 36 -2.404 13.603 -3.441 281 HG2 ARG 36 HG2 ARG 36 -1.010 15.415 -3.102 282 HG3 ARG 36 HG3 ARG 36 -0.222 15.217 -4.668 283 HD2 ARG 36 HD2 ARG 36 -2.288 15.836 -5.762 284 HD3 ARG 36 HD3 ARG 36 -3.051 16.102 -4.193 285 HE ARG 36 HE ARG 36 -0.898 17.655 -3.991 286 HH11 ARG 36 HH11 ARG 36 -3.217 17.376 -6.635 287 HH12 ARG 36 HH12 ARG 36 -3.091 19.038 -7.082 288 HH21 ARG 36 HH21 ARG 36 -0.748 19.853 -4.597 289 HH22 ARG 36 HH22 ARG 36 -1.688 20.458 -5.918 290 H HIS 37 H HIS 37 1.720 13.829 -4.323 291 HA HIS 37 HA HIS 37 1.822 13.358 -7.226 292 HB2 HIS 37 HB2 HIS 37 1.914 15.713 -6.376 293 HB3 HIS 37 HB3 HIS 37 3.398 15.310 -5.532 294 HD1 HIS 37 HD1 HIS 37 4.954 16.834 -6.838 295 HD2 HIS 37 HD2 HIS 37 2.728 14.320 -9.288 296 HE1 HIS 37 HE1 HIS 37 5.882 17.145 -9.146 297 HE2 HIS 37 HE2 HIS 37 4.374 15.782 -10.632 298 H THR 38 H THR 38 2.699 11.992 -4.509 299 HA THR 38 HA THR 38 5.432 11.311 -5.160 300 HB THR 38 HB THR 38 3.624 11.145 -2.808 301 HG1 THR 38 HG1 THR 38 6.324 11.786 -2.633 302 HG21 THR 38 HG21 THR 38 4.541 8.879 -2.954 303 HG22 THR 38 HG22 THR 38 5.193 9.775 -1.566 304 HG23 THR 38 HG23 THR 38 6.177 9.554 -3.017 305 HA PRO 39 HA PRO 39 4.239 7.557 -7.217 306 HB2 PRO 39 HB2 PRO 39 6.425 6.015 -6.554 307 HB3 PRO 39 HB3 PRO 39 6.422 7.221 -7.847 308 HG2 PRO 39 HG2 PRO 39 7.349 7.485 -5.016 309 HG3 PRO 39 HG3 PRO 39 8.166 8.016 -6.497 310 HD2 PRO 39 HD2 PRO 39 6.857 9.770 -5.007 311 HD3 PRO 39 HD3 PRO 39 6.712 9.837 -6.778 312 H LEU 40 H LEU 40 2.737 6.214 -6.503 313 HA LEU 40 HA LEU 40 2.507 5.534 -3.760 314 HB2 LEU 40 HB2 LEU 40 0.501 4.509 -4.257 315 HB3 LEU 40 HB3 LEU 40 0.594 5.826 -5.398 316 HG LEU 40 HG LEU 40 0.937 2.884 -5.932 317 HD11 LEU 40 HD11 LEU 40 -0.992 3.281 -7.438 318 HD12 LEU 40 HD12 LEU 40 -1.102 4.913 -6.782 319 HD13 LEU 40 HD13 LEU 40 -1.336 3.517 -5.728 320 HD21 LEU 40 HD21 LEU 40 1.198 3.481 -8.310 321 HD22 LEU 40 HD22 LEU 40 2.551 3.994 -7.312 322 HD23 LEU 40 HD23 LEU 40 1.348 5.176 -7.841 323 H SER 41 H SER 41 4.217 4.204 -6.303 324 HA SER 41 HA SER 41 4.303 1.491 -5.877 325 HB2 SER 41 HB2 SER 41 6.769 1.759 -6.617 326 HB3 SER 41 HB3 SER 41 5.496 2.272 -7.722 327 HG SER 41 HG SER 41 6.787 3.974 -7.704 328 H LYS 42 H LYS 42 5.703 4.033 -3.952 329 HA LYS 42 HA LYS 42 7.483 2.516 -2.392 330 HB2 LYS 42 HB2 LYS 42 5.864 4.945 -1.608 331 HB3 LYS 42 HB3 LYS 42 7.222 4.300 -0.697 332 HG2 LYS 42 HG2 LYS 42 8.684 4.720 -2.621 333 HG3 LYS 42 HG3 LYS 42 7.314 5.428 -3.481 334 HD2 LYS 42 HD2 LYS 42 7.122 7.168 -1.826 335 HD3 LYS 42 HD3 LYS 42 8.391 6.423 -0.845 336 HE2 LYS 42 HE2 LYS 42 9.928 6.710 -2.762 337 HE3 LYS 42 HE3 LYS 42 8.648 7.591 -3.589 338 HZ1 LYS 42 HZ1 LYS 42 10.272 9.048 -2.474 339 HZ2 LYS 42 HZ2 LYS 42 9.818 8.405 -0.978 340 HZ3 LYS 42 HZ3 LYS 42 8.701 9.281 -1.899 341 H LEU 43 H LEU 43 4.078 3.338 -1.890 342 HA LEU 43 HA LEU 43 3.854 1.783 0.492 343 HB2 LEU 43 HB2 LEU 43 1.606 2.356 0.584 344 HB3 LEU 43 HB3 LEU 43 2.294 3.701 -0.294 345 HG LEU 43 HG LEU 43 1.516 2.382 -2.414 346 HD11 LEU 43 HD11 LEU 43 -0.320 1.212 -0.318 347 HD12 LEU 43 HD12 LEU 43 0.865 0.320 -1.269 348 HD13 LEU 43 HD13 LEU 43 -0.522 1.066 -2.065 349 HD21 LEU 43 HD21 LEU 43 0.621 4.541 -1.718 350 HD22 LEU 43 HD22 LEU 43 -0.449 3.724 -0.572 351 HD23 LEU 43 HD23 LEU 43 -0.664 3.480 -2.304 352 H MET 44 H MET 44 3.275 1.138 -2.924 353 HA MET 44 HA MET 44 1.994 -1.335 -2.584 354 HB2 MET 44 HB2 MET 44 3.685 -0.387 -4.896 355 HB3 MET 44 HB3 MET 44 2.676 -1.824 -4.921 356 HG2 MET 44 HG2 MET 44 0.744 -0.253 -4.336 357 HG3 MET 44 HG3 MET 44 1.837 1.049 -4.800 358 HE1 MET 44 HE1 MET 44 2.902 1.231 -7.318 359 HE2 MET 44 HE2 MET 44 2.583 0.020 -8.560 360 HE3 MET 44 HE3 MET 44 3.493 -0.419 -7.115 361 H LYS 45 H LYS 45 5.452 -0.597 -3.047 362 HA LYS 45 HA LYS 45 6.242 -3.310 -2.883 363 HB2 LYS 45 HB2 LYS 45 7.792 -0.773 -2.412 364 HB3 LYS 45 HB3 LYS 45 8.515 -2.371 -2.364 365 HG2 LYS 45 HG2 LYS 45 7.503 -2.617 -4.745 366 HG3 LYS 45 HG3 LYS 45 7.423 -0.854 -4.694 367 HD2 LYS 45 HD2 LYS 45 9.498 -1.438 -5.710 368 HD3 LYS 45 HD3 LYS 45 9.858 -0.859 -4.081 369 HE2 LYS 45 HE2 LYS 45 9.886 -3.260 -3.333 370 HE3 LYS 45 HE3 LYS 45 9.748 -3.724 -5.028 371 HZ1 LYS 45 HZ1 LYS 45 12.036 -3.757 -4.296 372 HZ2 LYS 45 HZ2 LYS 45 11.950 -2.137 -3.826 373 HZ3 LYS 45 HZ3 LYS 45 11.826 -2.549 -5.459 374 H ALA 46 H ALA 46 5.796 -0.778 -0.501 375 HA ALA 46 HA ALA 46 6.982 -2.119 1.678 376 HB1 ALA 46 HB1 ALA 46 4.733 -0.105 1.699 377 HB2 ALA 46 HB2 ALA 46 6.456 0.272 1.731 378 HB3 ALA 46 HB3 ALA 46 5.713 -0.574 3.088 379 H TYR 47 H TYR 47 3.796 -2.210 0.244 380 HA TYR 47 HA TYR 47 2.478 -3.726 2.197 381 HB2 TYR 47 HB2 TYR 47 1.225 -2.620 0.454 382 HB3 TYR 47 HB3 TYR 47 2.045 -3.556 -0.789 383 HD1 TYR 47 HD1 TYR 47 -0.548 -3.601 1.788 384 HD2 TYR 47 HD2 TYR 47 1.413 -5.880 -1.211 385 HE1 TYR 47 HE1 TYR 47 -2.346 -5.261 1.887 386 HE2 TYR 47 HE2 TYR 47 -0.385 -7.556 -1.128 387 HH TYR 47 HH TYR 47 -3.339 -6.989 0.449 388 H CYS 48 H CYS 48 4.048 -4.832 -0.842 389 HA CYS 48 HA CYS 48 3.554 -7.549 -0.278 390 HB2 CYS 48 HB2 CYS 48 5.134 -8.011 -2.132 391 HB3 CYS 48 HB3 CYS 48 3.898 -6.838 -2.558 392 HG CYS 48 HG CYS 48 6.448 -5.127 -1.474 393 H GLU 49 H GLU 49 6.281 -5.432 0.421 394 HA GLU 49 HA GLU 49 8.010 -7.536 1.199 395 HB2 GLU 49 HB2 GLU 49 8.114 -4.564 1.703 396 HB3 GLU 49 HB3 GLU 49 9.382 -5.677 2.205 397 HG2 GLU 49 HG2 GLU 49 9.639 -6.364 -0.175 398 HG3 GLU 49 HG3 GLU 49 8.461 -5.127 -0.609 399 H ARG 50 H ARG 50 5.591 -5.661 2.909 400 HA ARG 50 HA ARG 50 6.479 -6.743 5.465 401 HB2 ARG 50 HB2 ARG 50 4.872 -5.348 6.521 402 HB3 ARG 50 HB3 ARG 50 5.574 -4.386 5.230 403 HG2 ARG 50 HG2 ARG 50 3.619 -4.759 3.843 404 HG3 ARG 50 HG3 ARG 50 2.924 -5.818 5.069 405 HD2 ARG 50 HD2 ARG 50 3.440 -2.845 5.307 406 HD3 ARG 50 HD3 ARG 50 1.891 -3.663 5.242 407 HE ARG 50 HE ARG 50 2.320 -4.569 7.425 408 HH11 ARG 50 HH11 ARG 50 4.527 -2.014 6.435 409 HH12 ARG 50 HH12 ARG 50 4.969 -1.595 8.052 410 HH21 ARG 50 HH21 ARG 50 2.899 -3.998 9.562 411 HH22 ARG 50 HH22 ARG 50 4.024 -2.716 9.841 412 H GLN 51 H GLN 51 3.974 -7.316 3.084 413 HA GLN 51 HA GLN 51 2.424 -9.015 4.796 414 HB2 GLN 51 HB2 GLN 51 2.320 -8.460 1.854 415 HB3 GLN 51 HB3 GLN 51 1.194 -9.538 2.682 416 HG2 GLN 51 HG2 GLN 51 1.638 -6.650 3.302 417 HG3 GLN 51 HG3 GLN 51 0.315 -7.294 2.330 418 HE21 GLN 51 HE21 GLN 51 1.686 -7.138 5.542 419 HE22 GLN 51 HE22 GLN 51 0.256 -7.606 6.387 420 H GLY 52 H GLY 52 5.099 -9.444 2.718 421 HA2 GLY 52 HA2 GLY 52 6.386 -11.400 2.595 422 HA3 GLY 52 HA3 GLY 52 5.035 -12.294 3.286 423 H LEU 53 H LEU 53 5.044 -10.108 0.530 424 HA LEU 53 HA LEU 53 4.384 -12.365 -1.222 425 HB2 LEU 53 HB2 LEU 53 2.977 -9.725 -0.997 426 HB3 LEU 53 HB3 LEU 53 2.963 -10.627 -2.494 427 HG LEU 53 HG LEU 53 0.956 -11.078 -1.417 428 HD11 LEU 53 HD11 LEU 53 1.002 -13.479 -1.031 429 HD12 LEU 53 HD12 LEU 53 2.751 -13.425 -0.844 430 HD13 LEU 53 HD13 LEU 53 2.019 -13.044 -2.404 431 HD21 LEU 53 HD21 LEU 53 0.752 -11.923 0.856 432 HD22 LEU 53 HD22 LEU 53 1.470 -10.310 0.794 433 HD23 LEU 53 HD23 LEU 53 2.493 -11.722 1.076 434 H SER 54 H SER 54 4.735 -11.761 -3.553 435 HA SER 54 HA SER 54 6.969 -9.868 -3.765 436 HB2 SER 54 HB2 SER 54 6.498 -12.480 -5.200 437 HB3 SER 54 HB3 SER 54 7.777 -11.351 -5.617 438 HG SER 54 HG SER 54 7.564 -13.109 -3.501 439 H MET 55 H MET 55 7.130 -8.671 -5.747 440 HA MET 55 HA MET 55 4.707 -7.696 -6.745 441 HB2 MET 55 HB2 MET 55 7.559 -7.382 -7.575 442 HB3 MET 55 HB3 MET 55 6.279 -6.752 -8.610 443 HG2 MET 55 HG2 MET 55 6.745 -6.062 -5.727 444 HG3 MET 55 HG3 MET 55 7.120 -5.049 -7.124 445 HE1 MET 55 HE1 MET 55 5.680 -3.210 -5.646 446 HE2 MET 55 HE2 MET 55 5.261 -4.474 -4.486 447 HE3 MET 55 HE3 MET 55 3.993 -3.477 -5.201 448 H ARG 56 H ARG 56 6.654 -10.343 -7.814 449 HA ARG 56 HA ARG 56 5.247 -10.609 -10.331 450 HB2 ARG 56 HB2 ARG 56 6.552 -12.764 -10.530 451 HB3 ARG 56 HB3 ARG 56 7.526 -11.308 -10.423 452 HG2 ARG 56 HG2 ARG 56 6.978 -12.657 -7.862 453 HG3 ARG 56 HG3 ARG 56 7.987 -13.548 -9.001 454 HD2 ARG 56 HD2 ARG 56 8.500 -10.690 -8.176 455 HD3 ARG 56 HD3 ARG 56 9.241 -12.083 -7.391 456 HE ARG 56 HE ARG 56 9.817 -12.434 -10.022 457 HH11 ARG 56 HH11 ARG 56 10.328 -9.753 -7.810 458 HH12 ARG 56 HH12 ARG 56 11.806 -9.254 -8.552 459 HH21 ARG 56 HH21 ARG 56 11.778 -11.759 -11.008 460 HH22 ARG 56 HH22 ARG 56 12.624 -10.388 -10.379 461 H GLN 57 H GLN 57 4.726 -11.422 -7.145 462 HA GLN 57 HA GLN 57 3.141 -13.806 -7.697 463 HB2 GLN 57 HB2 GLN 57 4.412 -12.606 -5.325 464 HB3 GLN 57 HB3 GLN 57 2.865 -13.398 -5.026 465 HG2 GLN 57 HG2 GLN 57 4.723 -14.902 -4.641 466 HG3 GLN 57 HG3 GLN 57 3.738 -15.458 -5.994 467 HE21 GLN 57 HE21 GLN 57 4.573 -15.211 -8.107 468 HE22 GLN 57 HE22 GLN 57 6.275 -15.098 -8.373 469 H ILE 58 H ILE 58 2.717 -10.455 -6.929 470 HA ILE 58 HA ILE 58 -0.197 -10.888 -6.965 471 HB ILE 58 HB ILE 58 -0.584 -9.318 -5.197 472 HG12 ILE 58 HG12 ILE 58 2.413 -8.907 -5.203 473 HG13 ILE 58 HG13 ILE 58 1.185 -7.731 -5.641 474 HG21 ILE 58 HG21 ILE 58 0.378 -10.484 -3.297 475 HG22 ILE 58 HG22 ILE 58 1.607 -11.202 -4.338 476 HG23 ILE 58 HG23 ILE 58 -0.088 -11.644 -4.545 477 HD11 ILE 58 HD11 ILE 58 0.389 -7.696 -3.335 478 HD12 ILE 58 HD12 ILE 58 2.092 -7.259 -3.446 479 HD13 ILE 58 HD13 ILE 58 1.628 -8.868 -2.890 480 H ARG 59 H ARG 59 -1.302 -8.676 -7.094 481 HA ARG 59 HA ARG 59 0.168 -6.691 -8.583 482 HB2 ARG 59 HB2 ARG 59 -1.881 -8.445 -9.843 483 HB3 ARG 59 HB3 ARG 59 -1.858 -6.751 -10.303 484 HG2 ARG 59 HG2 ARG 59 0.455 -8.673 -10.527 485 HG3 ARG 59 HG3 ARG 59 -0.566 -8.109 -11.853 486 HD2 ARG 59 HD2 ARG 59 0.146 -5.793 -11.363 487 HD3 ARG 59 HD3 ARG 59 1.227 -6.407 -10.122 488 HE ARG 59 HE ARG 59 2.075 -7.782 -12.227 489 HH11 ARG 59 HH11 ARG 59 1.308 -4.357 -11.939 490 HH12 ARG 59 HH12 ARG 59 2.496 -3.863 -13.092 491 HH21 ARG 59 HH21 ARG 59 3.648 -7.118 -13.755 492 HH22 ARG 59 HH22 ARG 59 3.833 -5.439 -14.125 493 H PHE 60 H PHE 60 -0.738 -4.686 -8.549 494 HA PHE 60 HA PHE 60 -2.961 -4.358 -6.672 495 HB2 PHE 60 HB2 PHE 60 -0.849 -2.409 -7.629 496 HB3 PHE 60 HB3 PHE 60 -2.136 -2.018 -6.495 497 HD1 PHE 60 HD1 PHE 60 0.726 -4.354 -6.951 498 HD2 PHE 60 HD2 PHE 60 -1.764 -2.233 -4.236 499 HE1 PHE 60 HE1 PHE 60 2.161 -5.067 -5.091 500 HE2 PHE 60 HE2 PHE 60 -0.330 -2.939 -2.367 501 HZ PHE 60 HZ PHE 60 1.634 -4.363 -2.793 502 H ARG 61 H ARG 61 -4.775 -3.217 -7.243 503 HA ARG 61 HA ARG 61 -4.882 -1.997 -9.892 504 HB2 ARG 61 HB2 ARG 61 -5.602 -4.241 -10.327 505 HB3 ARG 61 HB3 ARG 61 -6.705 -4.203 -8.955 506 HG2 ARG 61 HG2 ARG 61 -7.162 -2.124 -10.962 507 HG3 ARG 61 HG3 ARG 61 -7.424 -3.776 -11.528 508 HD2 ARG 61 HD2 ARG 61 -8.575 -2.764 -8.956 509 HD3 ARG 61 HD3 ARG 61 -9.403 -2.528 -10.488 510 HE ARG 61 HE ARG 61 -8.892 -5.167 -10.493 511 HH11 ARG 61 HH11 ARG 61 -10.398 -3.048 -8.159 512 HH12 ARG 61 HH12 ARG 61 -11.367 -4.288 -7.454 513 HH21 ARG 61 HH21 ARG 61 -10.168 -6.816 -9.592 514 HH22 ARG 61 HH22 ARG 61 -11.238 -6.459 -8.279 515 H PHE 62 H PHE 62 -6.261 -0.339 -10.098 516 HA PHE 62 HA PHE 62 -8.146 0.246 -7.970 517 HB2 PHE 62 HB2 PHE 62 -6.117 1.386 -7.270 518 HB3 PHE 62 HB3 PHE 62 -5.983 2.174 -8.840 519 HD1 PHE 62 HD1 PHE 62 -7.942 1.962 -5.751 520 HD2 PHE 62 HD2 PHE 62 -7.245 4.130 -9.332 521 HE1 PHE 62 HE1 PHE 62 -9.322 3.816 -4.901 522 HE2 PHE 62 HE2 PHE 62 -8.613 5.990 -8.491 523 HZ PHE 62 HZ PHE 62 -9.654 5.834 -6.270 524 H ASP 63 H ASP 63 -9.796 1.615 -8.634 525 HA ASP 63 HA ASP 63 -11.392 2.410 -10.101 526 HB2 ASP 63 HB2 ASP 63 -9.262 3.898 -10.487 527 HB3 ASP 63 HB3 ASP 63 -9.232 3.107 -12.044 528 H GLY 64 H GLY 64 -10.273 -0.335 -10.394 529 HA2 GLY 64 HA2 GLY 64 -10.843 -2.106 -11.685 530 HA3 GLY 64 HA3 GLY 64 -11.669 -1.033 -12.792 531 H GLN 65 H GLN 65 -8.520 0.048 -12.294 532 HA GLN 65 HA GLN 65 -7.553 -1.435 -14.643 533 HB2 GLN 65 HB2 GLN 65 -6.281 0.617 -15.241 534 HB3 GLN 65 HB3 GLN 65 -8.024 0.831 -15.318 535 HG2 GLN 65 HG2 GLN 65 -7.974 1.940 -13.147 536 HG3 GLN 65 HG3 GLN 65 -6.228 1.744 -13.078 537 HE21 GLN 65 HE21 GLN 65 -5.836 3.909 -12.995 538 HE22 GLN 65 HE22 GLN 65 -6.078 4.977 -14.329 539 HA PRO 66 HA PRO 66 -4.160 -2.720 -12.144 540 HB2 PRO 66 HB2 PRO 66 -2.197 -2.959 -14.028 541 HB3 PRO 66 HB3 PRO 66 -3.510 -4.127 -13.839 542 HG2 PRO 66 HG2 PRO 66 -3.234 -1.886 -15.798 543 HG3 PRO 66 HG3 PRO 66 -3.833 -3.534 -16.059 544 HD2 PRO 66 HD2 PRO 66 -5.489 -1.413 -15.786 545 HD3 PRO 66 HD3 PRO 66 -5.926 -3.039 -15.221 546 H ILE 67 H ILE 67 -2.621 -1.774 -10.930 547 HA ILE 67 HA ILE 67 -1.850 0.957 -11.594 548 HB ILE 67 HB ILE 67 -1.268 -0.642 -9.092 549 HG12 ILE 67 HG12 ILE 67 -3.511 1.328 -9.623 550 HG13 ILE 67 HG13 ILE 67 -3.685 -0.410 -9.413 551 HG21 ILE 67 HG21 ILE 67 -0.768 1.463 -8.064 552 HG22 ILE 67 HG22 ILE 67 -1.212 2.336 -9.530 553 HG23 ILE 67 HG23 ILE 67 0.212 1.293 -9.521 554 HD11 ILE 67 HD11 ILE 67 -2.727 1.543 -7.341 555 HD12 ILE 67 HD12 ILE 67 -2.848 -0.202 -7.122 556 HD13 ILE 67 HD13 ILE 67 -4.303 0.753 -7.397 557 H ASN 68 H ASN 68 0.299 1.625 -11.782 558 HA ASN 68 HA ASN 68 2.252 -0.548 -12.105 559 HB2 ASN 68 HB2 ASN 68 2.831 2.090 -13.318 560 HB3 ASN 68 HB3 ASN 68 3.179 0.474 -13.908 561 HD21 ASN 68 HD21 ASN 68 1.046 3.107 -13.933 562 HD22 ASN 68 HD22 ASN 68 -0.061 2.496 -15.092 563 H GLU 69 H GLU 69 4.461 0.189 -11.704 564 HA GLU 69 HA GLU 69 4.542 1.491 -9.158 565 HB2 GLU 69 HB2 GLU 69 6.967 0.994 -9.258 566 HB3 GLU 69 HB3 GLU 69 5.987 -0.431 -9.562 567 HG2 GLU 69 HG2 GLU 69 7.173 1.222 -11.772 568 HG3 GLU 69 HG3 GLU 69 8.037 -0.116 -11.021 569 H THR 70 H THR 70 4.873 2.378 -12.436 570 HA THR 70 HA THR 70 6.379 4.784 -11.868 571 HB THR 70 HB THR 70 6.142 5.145 -14.340 572 HG1 THR 70 HG1 THR 70 5.077 3.668 -15.535 573 HG21 THR 70 HG21 THR 70 7.676 3.331 -14.949 574 HG22 THR 70 HG22 THR 70 7.244 2.468 -13.473 575 HG23 THR 70 HG23 THR 70 8.096 4.008 -13.376 576 H ASP 71 H ASP 71 3.244 4.051 -11.345 577 HA ASP 71 HA ASP 71 2.179 6.489 -12.542 578 HB2 ASP 71 HB2 ASP 71 1.050 4.214 -12.775 579 HB3 ASP 71 HB3 ASP 71 0.637 4.362 -11.071 580 H THR 72 H THR 72 0.866 7.897 -11.193 581 HA THR 72 HA THR 72 1.620 7.799 -8.347 582 HB THR 72 HB THR 72 0.922 10.382 -8.650 583 HG1 THR 72 HG1 THR 72 2.365 10.225 -10.987 584 HG21 THR 72 HG21 THR 72 3.007 9.634 -7.693 585 HG22 THR 72 HG22 THR 72 3.329 10.884 -8.894 586 HG23 THR 72 HG23 THR 72 3.622 9.188 -9.286 587 HA PRO 73 HA PRO 73 -2.568 7.548 -7.038 588 HB2 PRO 73 HB2 PRO 73 -2.587 9.406 -4.983 589 HB3 PRO 73 HB3 PRO 73 -1.999 7.748 -4.835 590 HG2 PRO 73 HG2 PRO 73 -0.459 10.274 -5.258 591 HG3 PRO 73 HG3 PRO 73 -0.059 8.868 -4.255 592 HD2 PRO 73 HD2 PRO 73 1.079 9.330 -6.632 593 HD3 PRO 73 HD3 PRO 73 0.751 7.683 -6.057 594 H ALA 74 H ALA 74 -1.267 10.760 -7.639 595 HA ALA 74 HA ALA 74 -3.782 12.084 -7.746 596 HB1 ALA 74 HB1 ALA 74 -1.125 12.887 -8.918 597 HB2 ALA 74 HB2 ALA 74 -1.719 13.301 -7.306 598 HB3 ALA 74 HB3 ALA 74 -2.529 13.940 -8.742 599 H GLN 75 H GLN 75 -2.086 10.070 -9.936 600 HA GLN 75 HA GLN 75 -3.053 11.135 -12.375 601 HB2 GLN 75 HB2 GLN 75 -1.205 9.282 -11.783 602 HB3 GLN 75 HB3 GLN 75 -2.556 8.228 -12.121 603 HG2 GLN 75 HG2 GLN 75 -1.174 8.572 -14.079 604 HG3 GLN 75 HG3 GLN 75 -2.820 9.165 -14.319 605 HE21 GLN 75 HE21 GLN 75 -3.173 11.404 -14.392 606 HE22 GLN 75 HE22 GLN 75 -1.886 12.516 -14.695 607 H LEU 76 H LEU 76 -4.231 8.773 -10.090 608 HA LEU 76 HA LEU 76 -6.532 8.187 -11.768 609 HB2 LEU 76 HB2 LEU 76 -6.120 7.057 -9.032 610 HB3 LEU 76 HB3 LEU 76 -6.889 6.325 -10.426 611 HG LEU 76 HG LEU 76 -4.309 6.564 -11.312 612 HD11 LEU 76 HD11 LEU 76 -2.843 5.803 -9.545 613 HD12 LEU 76 HD12 LEU 76 -4.162 5.925 -8.379 614 HD13 LEU 76 HD13 LEU 76 -3.537 7.379 -9.161 615 HD21 LEU 76 HD21 LEU 76 -5.863 4.584 -11.346 616 HD22 LEU 76 HD22 LEU 76 -5.309 4.216 -9.710 617 HD23 LEU 76 HD23 LEU 76 -4.167 4.208 -11.052 618 H GLU 77 H GLU 77 -5.720 10.613 -9.869 619 HA GLU 77 HA GLU 77 -6.640 12.043 -8.381 620 HB2 GLU 77 HB2 GLU 77 -8.754 13.037 -9.117 621 HB3 GLU 77 HB3 GLU 77 -7.665 12.768 -10.464 622 HG2 GLU 77 HG2 GLU 77 -8.961 10.773 -11.081 623 HG3 GLU 77 HG3 GLU 77 -10.066 11.103 -9.744 624 H MET 78 H MET 78 -6.606 9.610 -7.284 625 HA MET 78 HA MET 78 -9.132 8.838 -6.212 626 HB2 MET 78 HB2 MET 78 -7.851 7.235 -4.909 627 HB3 MET 78 HB3 MET 78 -7.284 7.254 -6.578 628 HG2 MET 78 HG2 MET 78 -5.620 9.053 -5.475 629 HG3 MET 78 HG3 MET 78 -5.896 7.986 -4.099 630 HE1 MET 78 HE1 MET 78 -4.786 4.516 -5.624 631 HE2 MET 78 HE2 MET 78 -6.408 5.201 -5.662 632 HE3 MET 78 HE3 MET 78 -5.431 5.329 -4.199 633 H GLU 79 H GLU 79 -9.507 8.745 -3.847 634 HA GLU 79 HA GLU 79 -8.726 11.308 -2.630 635 HB2 GLU 79 HB2 GLU 79 -10.821 11.329 -1.500 636 HB3 GLU 79 HB3 GLU 79 -11.155 10.963 -3.188 637 HG2 GLU 79 HG2 GLU 79 -11.287 8.573 -2.606 638 HG3 GLU 79 HG3 GLU 79 -11.038 8.996 -0.921 639 H ASP 80 H ASP 80 -8.554 11.278 -0.197 640 HA ASP 80 HA ASP 80 -6.960 9.318 0.796 641 HB2 ASP 80 HB2 ASP 80 -7.432 10.258 2.991 642 HB3 ASP 80 HB3 ASP 80 -7.244 11.544 1.803 643 H GLU 81 H GLU 81 -7.186 7.489 1.792 644 HA GLU 81 HA GLU 81 -7.975 5.699 2.863 645 HB2 GLU 81 HB2 GLU 81 -10.578 7.196 2.974 646 HB3 GLU 81 HB3 GLU 81 -10.340 5.604 3.678 647 HG2 GLU 81 HG2 GLU 81 -8.295 6.822 4.826 648 HG3 GLU 81 HG3 GLU 81 -9.309 8.238 4.549 649 H ASP 82 H ASP 82 -8.054 6.243 -0.022 650 HA ASP 82 HA ASP 82 -10.108 4.774 -1.248 651 HB2 ASP 82 HB2 ASP 82 -8.934 5.130 -3.148 652 HB3 ASP 82 HB3 ASP 82 -7.855 6.082 -2.132 653 H THR 83 H THR 83 -10.202 2.546 -1.958 654 HA THR 83 HA THR 83 -8.447 0.774 -0.429 655 HB THR 83 HB THR 83 -11.128 0.114 -1.665 656 HG1 THR 83 HG1 THR 83 -10.810 1.653 0.286 657 HG21 THR 83 HG21 THR 83 -9.649 -1.832 -1.369 658 HG22 THR 83 HG22 THR 83 -11.002 -1.885 -0.238 659 HG23 THR 83 HG23 THR 83 -9.405 -1.387 0.320 660 H ILE 84 H ILE 84 -6.817 0.149 -1.568 661 HA ILE 84 HA ILE 84 -6.858 -0.285 -4.445 662 HB ILE 84 HB ILE 84 -4.689 -1.069 -2.475 663 HG12 ILE 84 HG12 ILE 84 -5.209 1.385 -2.446 664 HG13 ILE 84 HG13 ILE 84 -3.571 1.001 -2.959 665 HG21 ILE 84 HG21 ILE 84 -4.453 -2.245 -4.533 666 HG22 ILE 84 HG22 ILE 84 -3.228 -0.970 -4.470 667 HG23 ILE 84 HG23 ILE 84 -4.678 -0.757 -5.458 668 HD11 ILE 84 HD11 ILE 84 -4.522 2.765 -4.301 669 HD12 ILE 84 HD12 ILE 84 -5.869 1.720 -4.753 670 HD13 ILE 84 HD13 ILE 84 -4.231 1.327 -5.280 671 H ASP 85 H ASP 85 -7.031 -2.268 -5.487 672 HA ASP 85 HA ASP 85 -7.595 -4.548 -3.729 673 HB2 ASP 85 HB2 ASP 85 -9.347 -3.938 -5.385 674 HB3 ASP 85 HB3 ASP 85 -8.202 -4.265 -6.682 675 H VAL 86 H VAL 86 -6.191 -6.083 -3.530 676 HA VAL 86 HA VAL 86 -4.075 -6.388 -5.565 677 HB VAL 86 HB VAL 86 -3.948 -7.012 -2.606 678 HG11 VAL 86 HG11 VAL 86 -1.835 -7.387 -4.731 679 HG12 VAL 86 HG12 VAL 86 -2.722 -8.680 -3.928 680 HG13 VAL 86 HG13 VAL 86 -1.627 -7.657 -3.001 681 HG21 VAL 86 HG21 VAL 86 -2.232 -5.295 -2.559 682 HG22 VAL 86 HG22 VAL 86 -3.764 -4.650 -3.148 683 HG23 VAL 86 HG23 VAL 86 -2.463 -5.009 -4.284 684 H PHE 87 H PHE 87 -3.784 -8.335 -6.447 685 HA PHE 87 HA PHE 87 -5.373 -10.537 -5.436 686 HB2 PHE 87 HB2 PHE 87 -6.062 -11.039 -7.856 687 HB3 PHE 87 HB3 PHE 87 -6.911 -9.747 -7.024 688 HD1 PHE 87 HD1 PHE 87 -6.601 -7.450 -7.663 689 HD2 PHE 87 HD2 PHE 87 -4.567 -10.575 -9.683 690 HE1 PHE 87 HE1 PHE 87 -6.058 -5.912 -9.477 691 HE2 PHE 87 HE2 PHE 87 -4.016 -9.031 -11.521 692 HZ PHE 87 HZ PHE 87 -4.764 -6.692 -11.421 693 H GLN 88 H GLN 88 -4.668 -12.583 -6.161 694 HA GLN 88 HA GLN 88 -1.810 -12.642 -6.357 695 HB2 GLN 88 HB2 GLN 88 -3.414 -14.238 -5.074 696 HB3 GLN 88 HB3 GLN 88 -3.528 -15.079 -6.615 697 HG2 GLN 88 HG2 GLN 88 -1.810 -16.234 -5.660 698 HG3 GLN 88 HG3 GLN 88 -0.908 -14.966 -6.492 699 HE21 GLN 88 HE21 GLN 88 -1.788 -12.940 -4.537 700 HE22 GLN 88 HE22 GLN 88 -0.839 -13.217 -3.124 701 H GLN 89 H GLN 89 -0.815 -12.333 -8.188 702 HA GLN 89 HA GLN 89 -1.839 -13.607 -10.641 703 HB2 GLN 89 HB2 GLN 89 -0.142 -11.166 -10.209 704 HB3 GLN 89 HB3 GLN 89 -0.215 -11.967 -11.774 705 HG2 GLN 89 HG2 GLN 89 -2.578 -10.868 -10.273 706 HG3 GLN 89 HG3 GLN 89 -1.750 -10.060 -11.603 707 HE21 GLN 89 HE21 GLN 89 -4.532 -11.011 -11.350 708 HE22 GLN 89 HE22 GLN 89 -4.787 -12.071 -12.688 709 H GLN 90 H GLN 90 -0.231 -14.784 -8.466 710 HA GLN 90 HA GLN 90 2.440 -15.182 -9.214 711 HB2 GLN 90 HB2 GLN 90 1.338 -15.761 -6.996 712 HB3 GLN 90 HB3 GLN 90 0.668 -17.180 -7.781 713 HG2 GLN 90 HG2 GLN 90 3.628 -16.650 -7.637 714 HG3 GLN 90 HG3 GLN 90 2.752 -17.512 -6.379 715 HE21 GLN 90 HE21 GLN 90 4.902 -18.387 -8.134 716 HE22 GLN 90 HE22 GLN 90 4.297 -19.767 -8.983 717 H THR 91 H THR 91 -0.474 -17.068 -9.925 718 HA THR 91 HA THR 91 1.039 -18.657 -11.850 719 HB THR 91 HB THR 91 -1.836 -19.047 -11.003 720 HG1 THR 91 HG1 THR 91 0.506 -19.496 -9.615 721 HG21 THR 91 HG21 THR 91 -1.439 -21.347 -11.720 722 HG22 THR 91 HG22 THR 91 0.226 -20.946 -12.131 723 HG23 THR 91 HG23 THR 91 -1.104 -20.224 -13.040 724 H GLY 92 H GLY 92 0.549 -18.611 -14.038 725 HA2 GLY 92 HA2 GLY 92 -1.756 -17.530 -15.183 726 HA3 GLY 92 HA3 GLY 92 -0.568 -16.240 -15.077 727 H GLY 93 H GLY 93 1.774 -17.754 -15.556 728 HA2 GLY 93 HA2 GLY 93 1.494 -19.290 -17.921 729 HA3 GLY 93 HA3 GLY 93 1.975 -17.635 -18.281 Start of MODEL 7 1 H MET 1 H MET 1 12.990 19.420 1.491 2 HA MET 1 HA MET 1 14.822 21.706 1.150 3 HB2 MET 1 HB2 MET 1 12.773 22.996 0.542 4 HB3 MET 1 HB3 MET 1 13.189 21.751 -0.623 5 HG2 MET 1 HG2 MET 1 11.444 20.301 0.354 6 HG3 MET 1 HG3 MET 1 11.011 21.609 1.455 7 HE1 MET 1 HE1 MET 1 8.487 21.503 0.663 8 HE2 MET 1 HE2 MET 1 8.880 20.179 -0.433 9 HE3 MET 1 HE3 MET 1 7.986 21.578 -1.026 10 H ALA 2 H ALA 2 11.784 20.715 2.839 11 HA ALA 2 HA ALA 2 12.356 22.596 4.952 12 HB1 ALA 2 HB1 ALA 2 10.056 22.267 4.166 13 HB2 ALA 2 HB2 ALA 2 10.217 21.858 5.874 14 HB3 ALA 2 HB3 ALA 2 10.129 20.577 4.664 15 H ASP 3 H ASP 3 13.862 19.945 4.289 16 HA ASP 3 HA ASP 3 13.632 18.407 6.695 17 HB2 ASP 3 HB2 ASP 3 15.637 17.218 5.819 18 HB3 ASP 3 HB3 ASP 3 14.326 17.303 4.647 19 H GLU 4 H GLU 4 15.027 21.319 5.923 20 HA GLU 4 HA GLU 4 16.821 21.170 8.238 21 HB2 GLU 4 HB2 GLU 4 17.995 23.127 7.170 22 HB3 GLU 4 HB3 GLU 4 18.162 21.603 6.315 23 HG2 GLU 4 HG2 GLU 4 16.497 22.283 4.707 24 HG3 GLU 4 HG3 GLU 4 16.216 23.779 5.593 25 H LYS 5 H LYS 5 16.050 22.224 9.932 26 HA LYS 5 HA LYS 5 13.703 23.692 9.913 27 HB2 LYS 5 HB2 LYS 5 14.613 22.586 11.902 28 HB3 LYS 5 HB3 LYS 5 15.903 23.772 11.975 29 HG2 LYS 5 HG2 LYS 5 14.410 25.513 12.547 30 HG3 LYS 5 HG3 LYS 5 13.000 24.540 12.127 31 HD2 LYS 5 HD2 LYS 5 14.913 23.921 14.377 32 HD3 LYS 5 HD3 LYS 5 13.362 24.739 14.572 33 HE2 LYS 5 HE2 LYS 5 12.234 22.761 13.608 34 HE3 LYS 5 HE3 LYS 5 13.791 21.943 13.515 35 HZ1 LYS 5 HZ1 LYS 5 12.577 21.284 15.470 36 HZ2 LYS 5 HZ2 LYS 5 12.467 22.885 15.987 37 HZ3 LYS 5 HZ3 LYS 5 13.979 22.122 15.917 38 HA PRO 6 HA PRO 6 15.073 27.610 8.309 39 HB2 PRO 6 HB2 PRO 6 12.662 28.832 8.461 40 HB3 PRO 6 HB3 PRO 6 12.989 27.562 7.284 41 HG2 PRO 6 HG2 PRO 6 11.616 27.366 9.934 42 HG3 PRO 6 HG3 PRO 6 11.109 26.714 8.364 43 HD2 PRO 6 HD2 PRO 6 12.339 25.211 10.232 44 HD3 PRO 6 HD3 PRO 6 12.563 24.940 8.491 45 H LYS 7 H LYS 7 13.585 29.919 9.312 46 HA LYS 7 HA LYS 7 14.976 30.238 11.866 47 HB2 LYS 7 HB2 LYS 7 14.490 32.751 11.362 48 HB3 LYS 7 HB3 LYS 7 15.780 31.941 10.494 49 HG2 LYS 7 HG2 LYS 7 14.611 33.270 8.918 50 HG3 LYS 7 HG3 LYS 7 14.163 31.599 8.599 51 HD2 LYS 7 HD2 LYS 7 12.052 31.924 9.772 52 HD3 LYS 7 HD3 LYS 7 12.517 33.578 10.174 53 HE2 LYS 7 HE2 LYS 7 12.607 34.113 7.772 54 HE3 LYS 7 HE3 LYS 7 12.095 32.469 7.400 55 HZ1 LYS 7 HZ1 LYS 7 10.522 34.450 8.950 56 HZ2 LYS 7 HZ2 LYS 7 10.020 32.879 8.563 57 HZ3 LYS 7 HZ3 LYS 7 10.248 34.025 7.336 58 H GLU 8 H GLU 8 12.335 29.019 11.214 59 HA GLU 8 HA GLU 8 10.774 30.349 13.279 60 HB2 GLU 8 HB2 GLU 8 8.724 29.954 11.788 61 HB3 GLU 8 HB3 GLU 8 9.771 31.301 11.358 62 HG2 GLU 8 HG2 GLU 8 10.910 29.692 9.754 63 HG3 GLU 8 HG3 GLU 8 9.535 28.626 10.029 64 H GLY 9 H GLY 9 8.743 28.774 13.709 65 HA2 GLY 9 HA2 GLY 9 9.739 26.019 13.471 66 HA3 GLY 9 HA3 GLY 9 9.374 26.666 15.061 67 H VAL 10 H VAL 10 6.989 27.986 14.646 68 HA VAL 10 HA VAL 10 5.273 25.669 14.317 69 HB VAL 10 HB VAL 10 4.502 28.434 15.256 70 HG11 VAL 10 HG11 VAL 10 2.512 27.319 16.162 71 HG12 VAL 10 HG12 VAL 10 3.056 25.791 15.465 72 HG13 VAL 10 HG13 VAL 10 2.617 27.133 14.410 73 HG21 VAL 10 HG21 VAL 10 5.185 25.974 16.864 74 HG22 VAL 10 HG22 VAL 10 4.582 27.496 17.520 75 HG23 VAL 10 HG23 VAL 10 6.162 27.435 16.741 76 H LYS 11 H LYS 11 5.503 25.537 12.047 77 HA LYS 11 HA LYS 11 3.437 27.098 10.705 78 HB2 LYS 11 HB2 LYS 11 5.652 28.115 10.220 79 HB3 LYS 11 HB3 LYS 11 6.150 26.585 9.511 80 HG2 LYS 11 HG2 LYS 11 4.458 26.762 7.825 81 HG3 LYS 11 HG3 LYS 11 3.827 28.235 8.569 82 HD2 LYS 11 HD2 LYS 11 6.036 29.272 8.231 83 HD3 LYS 11 HD3 LYS 11 6.533 27.831 7.341 84 HE2 LYS 11 HE2 LYS 11 5.835 29.615 5.820 85 HE3 LYS 11 HE3 LYS 11 4.759 28.222 5.711 86 HZ1 LYS 11 HZ1 LYS 11 3.586 30.366 5.769 87 HZ2 LYS 11 HZ2 LYS 11 4.196 30.650 7.319 88 HZ3 LYS 11 HZ3 LYS 11 3.151 29.350 7.046 89 H THR 12 H THR 12 2.133 25.806 9.447 90 HA THR 12 HA THR 12 2.630 23.008 9.460 91 HB THR 12 HB THR 12 0.346 24.021 9.683 92 HG1 THR 12 HG1 THR 12 -0.644 22.426 8.460 93 HG21 THR 12 HG21 THR 12 -0.824 24.762 7.651 94 HG22 THR 12 HG22 THR 12 0.671 24.598 6.731 95 HG23 THR 12 HG23 THR 12 0.554 25.801 8.014 96 H GLU 13 H GLU 13 2.249 21.778 7.305 97 HA GLU 13 HA GLU 13 4.118 22.931 5.347 98 HB2 GLU 13 HB2 GLU 13 3.405 20.040 5.760 99 HB3 GLU 13 HB3 GLU 13 4.620 20.692 4.675 100 HG2 GLU 13 HG2 GLU 13 6.027 21.303 6.464 101 HG3 GLU 13 HG3 GLU 13 4.750 21.030 7.651 102 H ASN 14 H ASN 14 3.234 23.556 3.503 103 HA ASN 14 HA ASN 14 0.731 22.838 2.492 104 HB2 ASN 14 HB2 ASN 14 1.633 23.797 0.340 105 HB3 ASN 14 HB3 ASN 14 1.764 24.854 1.740 106 HD21 ASN 14 HD21 ASN 14 3.814 25.145 2.705 107 HD22 ASN 14 HD22 ASN 14 5.266 24.872 1.806 108 H ASN 15 H ASN 15 2.250 20.473 3.175 109 HA ASN 15 HA ASN 15 2.836 19.183 0.644 110 HB2 ASN 15 HB2 ASN 15 3.275 18.492 3.520 111 HB3 ASN 15 HB3 ASN 15 3.225 17.192 2.334 112 HD21 ASN 15 HD21 ASN 15 5.394 18.493 4.028 113 HD22 ASN 15 HD22 ASN 15 6.656 18.795 2.892 114 H ASP 16 H ASP 16 1.119 18.624 -0.426 115 HA ASP 16 HA ASP 16 -1.367 17.915 0.859 116 HB2 ASP 16 HB2 ASP 16 -0.513 18.107 -2.014 117 HB3 ASP 16 HB3 ASP 16 -2.034 17.333 -1.587 118 H HIS 17 H HIS 17 -1.250 16.069 1.958 119 HA HIS 17 HA HIS 17 -0.431 13.729 0.418 120 HB2 HIS 17 HB2 HIS 17 0.464 12.689 2.419 121 HB3 HIS 17 HB3 HIS 17 1.239 14.241 2.155 122 HD1 HIS 17 HD1 HIS 17 0.554 16.187 3.838 123 HD2 HIS 17 HD2 HIS 17 -0.848 12.388 4.801 124 HE1 HIS 17 HE1 HIS 17 -0.110 16.305 6.255 125 HE2 HIS 17 HE2 HIS 17 -0.886 13.981 6.838 126 H ILE 18 H ILE 18 -1.504 11.839 0.705 127 HA ILE 18 HA ILE 18 -4.090 12.071 2.069 128 HB ILE 18 HB ILE 18 -5.116 10.749 0.222 129 HG12 ILE 18 HG12 ILE 18 -2.589 11.384 -1.316 130 HG13 ILE 18 HG13 ILE 18 -2.938 9.811 -0.612 131 HG21 ILE 18 HG21 ILE 18 -3.911 13.383 -0.629 132 HG22 ILE 18 HG22 ILE 18 -5.403 13.170 0.289 133 HG23 ILE 18 HG23 ILE 18 -5.301 12.598 -1.377 134 HD11 ILE 18 HD11 ILE 18 -4.552 11.192 -2.750 135 HD12 ILE 18 HD12 ILE 18 -4.918 9.620 -2.035 136 HD13 ILE 18 HD13 ILE 18 -3.448 9.834 -2.979 137 H ASN 19 H ASN 19 -5.097 9.900 2.336 138 HA ASN 19 HA ASN 19 -3.077 7.958 3.191 139 HB2 ASN 19 HB2 ASN 19 -4.635 8.688 4.936 140 HB3 ASN 19 HB3 ASN 19 -6.006 8.281 3.915 141 HD21 ASN 19 HD21 ASN 19 -3.563 7.078 6.045 142 HD22 ASN 19 HD22 ASN 19 -4.159 5.467 6.145 143 H LEU 20 H LEU 20 -3.010 5.947 2.318 144 HA LEU 20 HA LEU 20 -5.172 5.248 0.465 145 HB2 LEU 20 HB2 LEU 20 -2.212 4.964 -0.008 146 HB3 LEU 20 HB3 LEU 20 -3.383 3.992 -0.873 147 HG LEU 20 HG LEU 20 -2.852 5.735 -2.343 148 HD11 LEU 20 HD11 LEU 20 -5.350 6.664 -0.954 149 HD12 LEU 20 HD12 LEU 20 -5.259 5.352 -2.123 150 HD13 LEU 20 HD13 LEU 20 -4.870 7.000 -2.616 151 HD21 LEU 20 HD21 LEU 20 -3.196 7.675 -0.074 152 HD22 LEU 20 HD22 LEU 20 -2.779 8.074 -1.743 153 HD23 LEU 20 HD23 LEU 20 -1.661 7.135 -0.754 154 H LYS 21 H LYS 21 -5.933 3.240 0.617 155 HA LYS 21 HA LYS 21 -4.536 1.501 2.511 156 HB2 LYS 21 HB2 LYS 21 -7.508 1.761 2.087 157 HB3 LYS 21 HB3 LYS 21 -6.723 0.626 3.180 158 HG2 LYS 21 HG2 LYS 21 -5.736 2.598 4.372 159 HG3 LYS 21 HG3 LYS 21 -6.773 3.624 3.378 160 HD2 LYS 21 HD2 LYS 21 -7.748 1.420 5.189 161 HD3 LYS 21 HD3 LYS 21 -7.746 3.137 5.594 162 HE2 LYS 21 HE2 LYS 21 -9.287 3.603 3.799 163 HE3 LYS 21 HE3 LYS 21 -9.205 1.933 3.241 164 HZ1 LYS 21 HZ1 LYS 21 -10.208 1.219 5.296 165 HZ2 LYS 21 HZ2 LYS 21 -11.199 2.368 4.549 166 HZ3 LYS 21 HZ3 LYS 21 -10.246 2.803 5.878 167 H VAL 22 H VAL 22 -4.497 -0.632 2.058 168 HA VAL 22 HA VAL 22 -5.322 -1.366 -0.660 169 HB VAL 22 HB VAL 22 -2.897 -1.056 -0.631 170 HG11 VAL 22 HG11 VAL 22 -1.432 -2.115 0.794 171 HG12 VAL 22 HG12 VAL 22 -2.705 -3.143 1.459 172 HG13 VAL 22 HG13 VAL 22 -2.701 -1.412 1.804 173 HG21 VAL 22 HG21 VAL 22 -3.646 -3.964 -0.665 174 HG22 VAL 22 HG22 VAL 22 -2.169 -3.271 -1.339 175 HG23 VAL 22 HG23 VAL 22 -3.736 -2.844 -2.025 176 H ALA 23 H ALA 23 -6.342 -3.280 -0.864 177 HA ALA 23 HA ALA 23 -6.662 -4.877 1.593 178 HB1 ALA 23 HB1 ALA 23 -8.721 -3.686 1.066 179 HB2 ALA 23 HB2 ALA 23 -8.925 -5.422 0.821 180 HB3 ALA 23 HB3 ALA 23 -8.708 -4.357 -0.565 181 H GLY 24 H GLY 24 -5.794 -6.784 1.383 182 HA2 GLY 24 HA2 GLY 24 -5.089 -7.822 -1.217 183 HA3 GLY 24 HA3 GLY 24 -4.659 -8.521 0.338 184 H GLN 25 H GLN 25 -5.655 -9.842 -1.982 185 HA GLN 25 HA GLN 25 -8.320 -10.576 -1.848 186 HB2 GLN 25 HB2 GLN 25 -7.336 -12.829 -2.822 187 HB3 GLN 25 HB3 GLN 25 -7.361 -11.349 -3.765 188 HG2 GLN 25 HG2 GLN 25 -5.235 -12.514 -4.011 189 HG3 GLN 25 HG3 GLN 25 -5.013 -10.948 -3.240 190 HE21 GLN 25 HE21 GLN 25 -4.239 -10.860 -1.145 191 HE22 GLN 25 HE22 GLN 25 -3.664 -12.235 -0.286 192 H ASP 26 H ASP 26 -5.897 -11.283 0.437 193 HA ASP 26 HA ASP 26 -7.250 -13.663 1.424 194 HB2 ASP 26 HB2 ASP 26 -5.369 -13.892 2.932 195 HB3 ASP 26 HB3 ASP 26 -4.773 -13.610 1.300 196 H GLY 27 H GLY 27 -7.383 -10.298 1.866 197 HA2 GLY 27 HA2 GLY 27 -9.160 -9.433 3.199 198 HA3 GLY 27 HA3 GLY 27 -8.888 -10.731 4.349 199 H SER 28 H SER 28 -5.947 -9.496 3.304 200 HA SER 28 HA SER 28 -5.624 -8.101 5.818 201 HB2 SER 28 HB2 SER 28 -3.700 -8.944 3.660 202 HB3 SER 28 HB3 SER 28 -3.234 -8.091 5.120 203 HG SER 28 HG SER 28 -3.848 -10.717 4.732 204 H VAL 29 H VAL 29 -5.712 -5.951 5.970 205 HA VAL 29 HA VAL 29 -5.319 -4.383 3.519 206 HB VAL 29 HB VAL 29 -7.611 -4.171 4.026 207 HG11 VAL 29 HG11 VAL 29 -7.598 -5.097 6.243 208 HG12 VAL 29 HG12 VAL 29 -8.486 -3.572 6.225 209 HG13 VAL 29 HG13 VAL 29 -6.847 -3.634 6.883 210 HG21 VAL 29 HG21 VAL 29 -6.572 -2.032 3.498 211 HG22 VAL 29 HG22 VAL 29 -6.231 -1.759 5.205 212 HG23 VAL 29 HG23 VAL 29 -7.900 -1.809 4.637 213 H VAL 30 H VAL 30 -3.882 -2.784 3.533 214 HA VAL 30 HA VAL 30 -2.672 -2.059 6.115 215 HB VAL 30 HB VAL 30 -1.223 -1.929 3.478 216 HG11 VAL 30 HG11 VAL 30 -0.349 -0.534 5.277 217 HG12 VAL 30 HG12 VAL 30 0.772 -1.834 4.875 218 HG13 VAL 30 HG13 VAL 30 -0.227 -1.947 6.325 219 HG21 VAL 30 HG21 VAL 30 -0.078 -4.021 4.128 220 HG22 VAL 30 HG22 VAL 30 -1.796 -4.244 3.805 221 HG23 VAL 30 HG23 VAL 30 -1.213 -4.197 5.470 222 H GLN 31 H GLN 31 -2.568 0.098 6.590 223 HA GLN 31 HA GLN 31 -3.557 1.918 4.523 224 HB2 GLN 31 HB2 GLN 31 -3.354 2.423 7.500 225 HB3 GLN 31 HB3 GLN 31 -4.163 3.438 6.322 226 HG2 GLN 31 HG2 GLN 31 -5.969 2.369 7.220 227 HG3 GLN 31 HG3 GLN 31 -5.577 1.252 5.914 228 HE21 GLN 31 HE21 GLN 31 -4.848 -0.773 6.392 229 HE22 GLN 31 HE22 GLN 31 -4.809 -1.425 7.988 230 H PHE 32 H PHE 32 -2.443 3.784 3.947 231 HA PHE 32 HA PHE 32 0.245 4.165 5.119 232 HB2 PHE 32 HB2 PHE 32 -0.292 4.352 2.154 233 HB3 PHE 32 HB3 PHE 32 1.261 4.385 2.971 234 HD1 PHE 32 HD1 PHE 32 -1.555 2.285 1.955 235 HD2 PHE 32 HD2 PHE 32 2.386 2.366 3.544 236 HE1 PHE 32 HE1 PHE 32 -1.359 -0.110 1.570 237 HE2 PHE 32 HE2 PHE 32 2.590 -0.057 3.163 238 HZ PHE 32 HZ PHE 32 0.702 -1.299 2.175 239 HH31 ALY 33 HH31 ALY 33 -5.255 13.724 7.468 240 HH32 ALY 33 HH32 ALY 33 -5.840 12.121 7.962 241 HH33 ALY 33 HH33 ALY 33 -5.995 12.664 6.278 242 HZ ALY 33 HZ ALY 33 -4.817 10.516 5.953 243 HE3 ALY 33 HE3 ALY 33 -2.696 10.177 7.892 244 HE2 ALY 33 HE2 ALY 33 -3.625 8.908 7.087 245 HD3 ALY 33 HD3 ALY 33 -2.365 9.201 5.064 246 HD2 ALY 33 HD2 ALY 33 -1.527 10.593 5.745 247 HG3 ALY 33 HG3 ALY 33 -0.661 9.041 7.539 248 HG2 ALY 33 HG2 ALY 33 -1.282 7.709 6.558 249 HB3 ALY 33 HB3 ALY 33 0.613 9.800 5.540 250 HB2 ALY 33 HB2 ALY 33 1.136 8.268 6.224 251 HCA ALY 33 HCA ALY 33 -0.772 8.350 3.899 252 H ALY 33 H ALY 33 1.181 6.270 4.606 253 H ILE 34 H ILE 34 -0.075 8.984 1.938 254 HA ILE 34 HA ILE 34 2.768 9.684 1.671 255 HB ILE 34 HB ILE 34 2.945 8.750 -0.538 256 HG12 ILE 34 HG12 ILE 34 0.079 7.831 -0.244 257 HG13 ILE 34 HG13 ILE 34 0.612 9.180 -1.245 258 HG21 ILE 34 HG21 ILE 34 3.415 7.207 1.283 259 HG22 ILE 34 HG22 ILE 34 2.713 6.349 -0.091 260 HG23 ILE 34 HG23 ILE 34 1.720 6.717 1.321 261 HD11 ILE 34 HD11 ILE 34 1.892 7.661 -2.641 262 HD12 ILE 34 HD12 ILE 34 0.203 7.161 -2.561 263 HD13 ILE 34 HD13 ILE 34 1.423 6.304 -1.618 264 H LYS 35 H LYS 35 3.087 11.030 -0.385 265 HA LYS 35 HA LYS 35 1.072 13.081 -0.312 266 HB2 LYS 35 HB2 LYS 35 3.801 12.965 -1.560 267 HB3 LYS 35 HB3 LYS 35 2.703 14.321 -1.767 268 HG2 LYS 35 HG2 LYS 35 2.698 14.702 0.642 269 HG3 LYS 35 HG3 LYS 35 3.778 13.326 0.866 270 HD2 LYS 35 HD2 LYS 35 4.874 15.607 0.857 271 HD3 LYS 35 HD3 LYS 35 5.551 14.418 -0.260 272 HE2 LYS 35 HE2 LYS 35 4.417 15.372 -2.095 273 HE3 LYS 35 HE3 LYS 35 3.478 16.449 -1.058 274 HZ1 LYS 35 HZ1 LYS 35 6.421 16.557 -1.501 275 HZ2 LYS 35 HZ2 LYS 35 5.562 17.582 -0.461 276 HZ3 LYS 35 HZ3 LYS 35 5.281 17.635 -2.127 277 H ARG 36 H ARG 36 0.132 13.990 -2.202 278 HA ARG 36 HA ARG 36 -0.977 12.065 -3.933 279 HB2 ARG 36 HB2 ARG 36 -1.953 14.008 -5.086 280 HB3 ARG 36 HB3 ARG 36 -2.182 14.046 -3.348 281 HG2 ARG 36 HG2 ARG 36 -0.593 15.732 -3.051 282 HG3 ARG 36 HG3 ARG 36 0.089 15.487 -4.658 283 HD2 ARG 36 HD2 ARG 36 -1.975 16.240 -5.637 284 HD3 ARG 36 HD3 ARG 36 -2.654 16.549 -4.038 285 HE ARG 36 HE ARG 36 -0.195 17.913 -4.341 286 HH11 ARG 36 HH11 ARG 36 -3.537 18.066 -5.402 287 HH12 ARG 36 HH12 ARG 36 -3.532 19.781 -5.622 288 HH21 ARG 36 HH21 ARG 36 -0.182 20.184 -4.611 289 HH22 ARG 36 HH22 ARG 36 -1.599 20.996 -5.172 290 H HIS 37 H HIS 37 1.935 13.920 -4.172 291 HA HIS 37 HA HIS 37 2.066 13.468 -7.075 292 HB2 HIS 37 HB2 HIS 37 2.308 15.809 -6.189 293 HB3 HIS 37 HB3 HIS 37 3.760 15.285 -5.354 294 HD1 HIS 37 HD1 HIS 37 2.402 15.871 -8.816 295 HD2 HIS 37 HD2 HIS 37 6.044 15.200 -6.941 296 HE1 HIS 37 HE1 HIS 37 4.146 16.316 -10.562 297 HE2 HIS 37 HE2 HIS 37 6.309 15.665 -9.473 298 H THR 38 H THR 38 2.865 12.162 -4.253 299 HA THR 38 HA THR 38 5.565 11.353 -4.813 300 HB THR 38 HB THR 38 3.627 11.175 -2.573 301 HG1 THR 38 HG1 THR 38 5.945 12.442 -3.147 302 HG21 THR 38 HG21 THR 38 6.105 9.470 -2.706 303 HG22 THR 38 HG22 THR 38 4.440 8.877 -2.799 304 HG23 THR 38 HG23 THR 38 5.024 9.662 -1.321 305 HA PRO 39 HA PRO 39 4.423 7.712 -7.073 306 HB2 PRO 39 HB2 PRO 39 6.547 6.106 -6.358 307 HB3 PRO 39 HB3 PRO 39 6.614 7.346 -7.616 308 HG2 PRO 39 HG2 PRO 39 7.469 7.496 -4.753 309 HG3 PRO 39 HG3 PRO 39 8.308 8.093 -6.202 310 HD2 PRO 39 HD2 PRO 39 6.956 9.767 -4.628 311 HD3 PRO 39 HD3 PRO 39 6.903 9.946 -6.395 312 H LEU 40 H LEU 40 2.871 6.382 -6.502 313 HA LEU 40 HA LEU 40 2.435 5.536 -3.847 314 HB2 LEU 40 HB2 LEU 40 0.680 4.019 -4.963 315 HB3 LEU 40 HB3 LEU 40 0.471 5.753 -5.054 316 HG LEU 40 HG LEU 40 1.423 5.668 -7.383 317 HD11 LEU 40 HD11 LEU 40 2.626 3.568 -7.239 318 HD12 LEU 40 HD12 LEU 40 1.438 3.524 -8.543 319 HD13 LEU 40 HD13 LEU 40 1.108 2.696 -7.021 320 HD21 LEU 40 HD21 LEU 40 -1.065 4.064 -6.847 321 HD22 LEU 40 HD22 LEU 40 -0.628 4.801 -8.389 322 HD23 LEU 40 HD23 LEU 40 -0.963 5.819 -6.988 323 H SER 41 H SER 41 4.420 4.341 -6.294 324 HA SER 41 HA SER 41 4.428 1.607 -6.018 325 HB2 SER 41 HB2 SER 41 6.906 1.843 -6.619 326 HB3 SER 41 HB3 SER 41 5.740 2.555 -7.730 327 HG SER 41 HG SER 41 7.708 3.814 -6.845 328 H LYS 42 H LYS 42 5.694 4.021 -3.856 329 HA LYS 42 HA LYS 42 7.420 2.334 -2.386 330 HB2 LYS 42 HB2 LYS 42 6.009 4.835 -1.445 331 HB3 LYS 42 HB3 LYS 42 7.353 4.049 -0.627 332 HG2 LYS 42 HG2 LYS 42 8.625 4.399 -2.837 333 HG3 LYS 42 HG3 LYS 42 7.351 5.555 -3.213 334 HD2 LYS 42 HD2 LYS 42 9.165 5.620 -0.800 335 HD3 LYS 42 HD3 LYS 42 9.277 6.673 -2.207 336 HE2 LYS 42 HE2 LYS 42 7.082 7.607 -1.689 337 HE3 LYS 42 HE3 LYS 42 6.940 6.530 -0.300 338 HZ1 LYS 42 HZ1 LYS 42 8.909 7.604 0.653 339 HZ2 LYS 42 HZ2 LYS 42 7.653 8.705 0.403 340 HZ3 LYS 42 HZ3 LYS 42 8.965 8.675 -0.656 341 H LEU 43 H LEU 43 4.014 3.208 -1.937 342 HA LEU 43 HA LEU 43 3.715 1.633 0.421 343 HB2 LEU 43 HB2 LEU 43 1.462 2.194 0.444 344 HB3 LEU 43 HB3 LEU 43 2.175 3.552 -0.393 345 HG LEU 43 HG LEU 43 1.467 2.286 -2.556 346 HD11 LEU 43 HD11 LEU 43 -0.553 0.921 -2.305 347 HD12 LEU 43 HD12 LEU 43 -0.407 1.022 -0.552 348 HD13 LEU 43 HD13 LEU 43 0.824 0.178 -1.490 349 HD21 LEU 43 HD21 LEU 43 -0.583 3.519 -0.738 350 HD22 LEU 43 HD22 LEU 43 -0.726 3.345 -2.485 351 HD23 LEU 43 HD23 LEU 43 0.513 4.407 -1.800 352 H MET 44 H MET 44 3.334 1.006 -3.000 353 HA MET 44 HA MET 44 1.982 -1.448 -2.752 354 HB2 MET 44 HB2 MET 44 3.800 -0.531 -4.987 355 HB3 MET 44 HB3 MET 44 2.707 -1.905 -5.065 356 HG2 MET 44 HG2 MET 44 0.870 -0.179 -4.508 357 HG3 MET 44 HG3 MET 44 2.065 1.011 -5.015 358 HE1 MET 44 HE1 MET 44 3.209 0.954 -7.511 359 HE2 MET 44 HE2 MET 44 2.767 -0.250 -8.721 360 HE3 MET 44 HE3 MET 44 3.609 -0.744 -7.253 361 H LYS 45 H LYS 45 5.465 -0.755 -3.169 362 HA LYS 45 HA LYS 45 6.241 -3.442 -2.885 363 HB2 LYS 45 HB2 LYS 45 7.698 -0.850 -2.472 364 HB3 LYS 45 HB3 LYS 45 8.476 -2.419 -2.332 365 HG2 LYS 45 HG2 LYS 45 7.019 -1.506 -4.791 366 HG3 LYS 45 HG3 LYS 45 8.740 -1.266 -4.543 367 HD2 LYS 45 HD2 LYS 45 7.316 -3.934 -4.583 368 HD3 LYS 45 HD3 LYS 45 8.264 -3.265 -5.907 369 HE2 LYS 45 HE2 LYS 45 9.338 -3.944 -3.163 370 HE3 LYS 45 HE3 LYS 45 9.499 -4.955 -4.594 371 HZ1 LYS 45 HZ1 LYS 45 10.705 -3.107 -5.658 372 HZ2 LYS 45 HZ2 LYS 45 11.493 -3.716 -4.298 373 HZ3 LYS 45 HZ3 LYS 45 10.655 -2.252 -4.199 374 H ALA 46 H ALA 46 5.727 -0.826 -0.579 375 HA ALA 46 HA ALA 46 6.824 -2.037 1.693 376 HB1 ALA 46 HB1 ALA 46 5.379 -0.538 2.981 377 HB2 ALA 46 HB2 ALA 46 4.440 -0.191 1.531 378 HB3 ALA 46 HB3 ALA 46 6.129 0.311 1.628 379 H TYR 47 H TYR 47 3.617 -2.178 0.324 380 HA TYR 47 HA TYR 47 2.354 -3.810 2.189 381 HB2 TYR 47 HB2 TYR 47 1.094 -2.768 0.413 382 HB3 TYR 47 HB3 TYR 47 1.961 -3.700 -0.802 383 HD1 TYR 47 HD1 TYR 47 -0.627 -3.799 1.774 384 HD2 TYR 47 HD2 TYR 47 1.428 -6.035 -1.182 385 HE1 TYR 47 HE1 TYR 47 -2.355 -5.523 1.907 386 HE2 TYR 47 HE2 TYR 47 -0.295 -7.784 -1.079 387 HH TYR 47 HH TYR 47 -1.996 -8.588 0.696 388 H CYS 48 H CYS 48 4.037 -4.833 -0.798 389 HA CYS 48 HA CYS 48 3.710 -7.585 -0.347 390 HB2 CYS 48 HB2 CYS 48 5.912 -6.256 -1.952 391 HB3 CYS 48 HB3 CYS 48 5.292 -7.890 -2.139 392 HG CYS 48 HG CYS 48 3.546 -5.025 -2.810 393 H GLU 49 H GLU 49 6.338 -5.348 0.473 394 HA GLU 49 HA GLU 49 8.122 -7.351 1.347 395 HB2 GLU 49 HB2 GLU 49 8.018 -4.398 1.946 396 HB3 GLU 49 HB3 GLU 49 9.323 -5.452 2.465 397 HG2 GLU 49 HG2 GLU 49 9.795 -5.996 0.116 398 HG3 GLU 49 HG3 GLU 49 8.513 -4.897 -0.380 399 H ARG 50 H ARG 50 5.620 -5.510 3.037 400 HA ARG 50 HA ARG 50 6.484 -6.586 5.587 401 HB2 ARG 50 HB2 ARG 50 4.796 -5.249 6.601 402 HB3 ARG 50 HB3 ARG 50 5.500 -4.268 5.327 403 HG2 ARG 50 HG2 ARG 50 3.594 -4.806 3.877 404 HG3 ARG 50 HG3 ARG 50 2.886 -5.759 5.181 405 HD2 ARG 50 HD2 ARG 50 3.311 -2.776 5.069 406 HD3 ARG 50 HD3 ARG 50 1.804 -3.664 5.241 407 HE ARG 50 HE ARG 50 3.856 -3.375 7.336 408 HH11 ARG 50 HH11 ARG 50 0.555 -4.142 6.407 409 HH12 ARG 50 HH12 ARG 50 -0.057 -4.033 8.014 410 HH21 ARG 50 HH21 ARG 50 3.031 -3.219 9.457 411 HH22 ARG 50 HH22 ARG 50 1.349 -3.506 9.754 412 H GLN 51 H GLN 51 3.963 -7.189 3.215 413 HA GLN 51 HA GLN 51 2.599 -9.060 4.909 414 HB2 GLN 51 HB2 GLN 51 2.182 -8.246 2.056 415 HB3 GLN 51 HB3 GLN 51 1.217 -9.494 2.848 416 HG2 GLN 51 HG2 GLN 51 1.479 -6.632 3.732 417 HG3 GLN 51 HG3 GLN 51 0.098 -7.340 2.895 418 HE21 GLN 51 HE21 GLN 51 1.901 -7.259 5.893 419 HE22 GLN 51 HE22 GLN 51 0.661 -7.946 6.877 420 H GLY 52 H GLY 52 5.316 -9.339 2.847 421 HA2 GLY 52 HA2 GLY 52 6.593 -11.256 2.672 422 HA3 GLY 52 HA3 GLY 52 5.229 -12.202 3.240 423 H LEU 53 H LEU 53 4.190 -10.161 0.809 424 HA LEU 53 HA LEU 53 4.203 -12.376 -1.085 425 HB2 LEU 53 HB2 LEU 53 2.730 -9.748 -1.065 426 HB3 LEU 53 HB3 LEU 53 2.711 -10.826 -2.440 427 HG LEU 53 HG LEU 53 0.696 -11.201 -1.294 428 HD11 LEU 53 HD11 LEU 53 2.579 -13.389 -0.446 429 HD12 LEU 53 HD12 LEU 53 1.787 -13.244 -2.015 430 HD13 LEU 53 HD13 LEU 53 0.823 -13.511 -0.564 431 HD21 LEU 53 HD21 LEU 53 1.294 -10.104 0.803 432 HD22 LEU 53 HD22 LEU 53 2.261 -11.505 1.260 433 HD23 LEU 53 HD23 LEU 53 0.513 -11.661 1.081 434 H SER 54 H SER 54 4.465 -11.729 -3.455 435 HA SER 54 HA SER 54 6.750 -9.903 -3.687 436 HB2 SER 54 HB2 SER 54 6.210 -12.524 -5.070 437 HB3 SER 54 HB3 SER 54 7.478 -11.410 -5.560 438 HG SER 54 HG SER 54 7.211 -12.829 -3.124 439 H MET 55 H MET 55 6.920 -8.765 -5.705 440 HA MET 55 HA MET 55 4.499 -7.730 -6.630 441 HB2 MET 55 HB2 MET 55 7.332 -7.511 -7.546 442 HB3 MET 55 HB3 MET 55 6.054 -6.878 -8.577 443 HG2 MET 55 HG2 MET 55 6.505 -6.116 -5.709 444 HG3 MET 55 HG3 MET 55 7.012 -5.171 -7.108 445 HE1 MET 55 HE1 MET 55 5.032 -4.515 -4.542 446 HE2 MET 55 HE2 MET 55 3.859 -3.443 -5.302 447 HE3 MET 55 HE3 MET 55 5.583 -3.245 -5.635 448 H ARG 56 H ARG 56 6.397 -10.400 -7.724 449 HA ARG 56 HA ARG 56 4.950 -10.660 -10.211 450 HB2 ARG 56 HB2 ARG 56 6.281 -12.764 -10.518 451 HB3 ARG 56 HB3 ARG 56 7.241 -11.310 -10.357 452 HG2 ARG 56 HG2 ARG 56 6.740 -12.918 -7.914 453 HG3 ARG 56 HG3 ARG 56 7.868 -13.552 -9.114 454 HD2 ARG 56 HD2 ARG 56 8.024 -10.882 -7.711 455 HD3 ARG 56 HD3 ARG 56 9.063 -12.276 -7.439 456 HE ARG 56 HE ARG 56 9.158 -11.481 -10.151 457 HH11 ARG 56 HH11 ARG 56 10.317 -10.571 -6.959 458 HH12 ARG 56 HH12 ARG 56 11.687 -9.712 -7.556 459 HH21 ARG 56 HH21 ARG 56 10.986 -10.325 -10.952 460 HH22 ARG 56 HH22 ARG 56 12.076 -9.575 -9.836 461 H GLN 57 H GLN 57 4.562 -11.577 -7.029 462 HA GLN 57 HA GLN 57 2.957 -13.932 -7.580 463 HB2 GLN 57 HB2 GLN 57 4.160 -12.688 -5.193 464 HB3 GLN 57 HB3 GLN 57 2.624 -13.509 -4.927 465 HG2 GLN 57 HG2 GLN 57 4.506 -14.974 -4.497 466 HG3 GLN 57 HG3 GLN 57 3.551 -15.557 -5.856 467 HE21 GLN 57 HE21 GLN 57 4.401 -15.310 -7.959 468 HE22 GLN 57 HE22 GLN 57 6.101 -15.150 -8.211 469 H ILE 58 H ILE 58 2.541 -10.620 -6.759 470 HA ILE 58 HA ILE 58 -0.382 -11.031 -6.873 471 HB ILE 58 HB ILE 58 -0.806 -9.431 -5.140 472 HG12 ILE 58 HG12 ILE 58 2.187 -9.016 -5.114 473 HG13 ILE 58 HG13 ILE 58 0.955 -7.843 -5.560 474 HG21 ILE 58 HG21 ILE 58 1.378 -11.296 -4.235 475 HG22 ILE 58 HG22 ILE 58 -0.307 -11.750 -4.471 476 HG23 ILE 58 HG23 ILE 58 0.124 -10.579 -3.219 477 HD11 ILE 58 HD11 ILE 58 1.889 -7.436 -3.333 478 HD12 ILE 58 HD12 ILE 58 1.286 -9.013 -2.812 479 HD13 ILE 58 HD13 ILE 58 0.156 -7.751 -3.297 480 H ARG 59 H ARG 59 -1.494 -8.804 -7.021 481 HA ARG 59 HA ARG 59 -0.036 -6.914 -8.650 482 HB2 ARG 59 HB2 ARG 59 -2.203 -8.644 -9.750 483 HB3 ARG 59 HB3 ARG 59 -2.067 -6.988 -10.321 484 HG2 ARG 59 HG2 ARG 59 0.104 -9.073 -10.438 485 HG3 ARG 59 HG3 ARG 59 -0.904 -8.544 -11.789 486 HD2 ARG 59 HD2 ARG 59 -0.028 -6.257 -11.507 487 HD3 ARG 59 HD3 ARG 59 1.022 -6.827 -10.217 488 HE ARG 59 HE ARG 59 1.509 -8.396 -12.467 489 HH11 ARG 59 HH11 ARG 59 1.919 -5.059 -11.466 490 HH12 ARG 59 HH12 ARG 59 3.296 -4.790 -12.473 491 HH21 ARG 59 HH21 ARG 59 3.340 -8.044 -13.791 492 HH22 ARG 59 HH22 ARG 59 4.106 -6.492 -13.806 493 H PHE 60 H PHE 60 -0.773 -4.896 -8.539 494 HA PHE 60 HA PHE 60 -2.981 -4.376 -6.708 495 HB2 PHE 60 HB2 PHE 60 -0.767 -2.608 -7.774 496 HB3 PHE 60 HB3 PHE 60 -2.048 -2.044 -6.706 497 HD1 PHE 60 HD1 PHE 60 0.705 -4.526 -6.935 498 HD2 PHE 60 HD2 PHE 60 -1.789 -2.194 -4.398 499 HE1 PHE 60 HE1 PHE 60 2.038 -5.221 -4.992 500 HE2 PHE 60 HE2 PHE 60 -0.460 -2.878 -2.454 501 HZ PHE 60 HZ PHE 60 1.454 -4.398 -2.745 502 H ARG 61 H ARG 61 -4.757 -3.208 -7.278 503 HA ARG 61 HA ARG 61 -5.003 -2.248 -10.021 504 HB2 ARG 61 HB2 ARG 61 -5.788 -4.455 -10.272 505 HB3 ARG 61 HB3 ARG 61 -6.623 -4.431 -8.733 506 HG2 ARG 61 HG2 ARG 61 -7.548 -2.629 -10.935 507 HG3 ARG 61 HG3 ARG 61 -7.943 -4.347 -10.989 508 HD2 ARG 61 HD2 ARG 61 -8.751 -3.979 -8.546 509 HD3 ARG 61 HD3 ARG 61 -8.776 -2.272 -8.994 510 HE ARG 61 HE ARG 61 -10.171 -4.012 -10.817 511 HH11 ARG 61 HH11 ARG 61 -10.469 -2.061 -7.894 512 HH12 ARG 61 HH12 ARG 61 -12.172 -1.857 -8.055 513 HH21 ARG 61 HH21 ARG 61 -12.432 -3.763 -11.004 514 HH22 ARG 61 HH22 ARG 61 -13.295 -2.830 -9.831 515 H PHE 62 H PHE 62 -6.263 -0.491 -10.239 516 HA PHE 62 HA PHE 62 -8.112 0.253 -8.112 517 HB2 PHE 62 HB2 PHE 62 -5.965 1.387 -7.571 518 HB3 PHE 62 HB3 PHE 62 -5.990 2.151 -9.156 519 HD1 PHE 62 HD1 PHE 62 -7.569 2.013 -5.854 520 HD2 PHE 62 HD2 PHE 62 -7.409 4.040 -9.586 521 HE1 PHE 62 HE1 PHE 62 -8.868 3.871 -4.899 522 HE2 PHE 62 HE2 PHE 62 -8.708 5.899 -8.643 523 HZ PHE 62 HZ PHE 62 -9.437 5.819 -6.295 524 H ASP 63 H ASP 63 -9.743 1.599 -8.844 525 HA ASP 63 HA ASP 63 -11.408 2.171 -10.381 526 HB2 ASP 63 HB2 ASP 63 -9.518 3.858 -10.753 527 HB3 ASP 63 HB3 ASP 63 -9.139 2.952 -12.192 528 H GLY 64 H GLY 64 -10.106 -0.506 -10.610 529 HA2 GLY 64 HA2 GLY 64 -10.660 -2.317 -11.868 530 HA3 GLY 64 HA3 GLY 64 -11.318 -1.274 -13.111 531 H GLN 65 H GLN 65 -8.591 0.187 -12.830 532 HA GLN 65 HA GLN 65 -7.272 -1.460 -14.849 533 HB2 GLN 65 HB2 GLN 65 -5.923 0.621 -15.281 534 HB3 GLN 65 HB3 GLN 65 -7.647 0.783 -15.575 535 HG2 GLN 65 HG2 GLN 65 -7.853 1.826 -13.329 536 HG3 GLN 65 HG3 GLN 65 -6.099 1.826 -13.215 537 HE21 GLN 65 HE21 GLN 65 -5.931 4.028 -13.164 538 HE22 GLN 65 HE22 GLN 65 -6.269 5.045 -14.514 539 HA PRO 66 HA PRO 66 -4.045 -2.721 -12.119 540 HB2 PRO 66 HB2 PRO 66 -1.990 -3.062 -13.854 541 HB3 PRO 66 HB3 PRO 66 -3.375 -4.160 -13.796 542 HG2 PRO 66 HG2 PRO 66 -2.819 -1.909 -15.686 543 HG3 PRO 66 HG3 PRO 66 -3.464 -3.524 -16.028 544 HD2 PRO 66 HD2 PRO 66 -5.030 -1.307 -15.837 545 HD3 PRO 66 HD3 PRO 66 -5.602 -2.932 -15.412 546 H ILE 67 H ILE 67 -2.457 -1.814 -10.880 547 HA ILE 67 HA ILE 67 -1.677 0.920 -11.575 548 HB ILE 67 HB ILE 67 -1.117 -0.527 -8.979 549 HG12 ILE 67 HG12 ILE 67 -3.491 1.233 -9.645 550 HG13 ILE 67 HG13 ILE 67 -3.545 -0.513 -9.413 551 HG21 ILE 67 HG21 ILE 67 -1.000 1.793 -8.089 552 HG22 ILE 67 HG22 ILE 67 -1.199 2.402 -9.737 553 HG23 ILE 67 HG23 ILE 67 0.225 1.454 -9.310 554 HD11 ILE 67 HD11 ILE 67 -4.304 0.529 -7.419 555 HD12 ILE 67 HD12 ILE 67 -2.892 1.581 -7.362 556 HD13 ILE 67 HD13 ILE 67 -2.712 -0.152 -7.098 557 H ASN 68 H ASN 68 0.499 1.604 -11.589 558 HA ASN 68 HA ASN 68 2.504 -0.540 -11.694 559 HB2 ASN 68 HB2 ASN 68 2.837 1.838 -13.455 560 HB3 ASN 68 HB3 ASN 68 3.389 0.188 -13.689 561 HD21 ASN 68 HD21 ASN 68 0.899 2.474 -14.180 562 HD22 ASN 68 HD22 ASN 68 -0.106 1.481 -15.157 563 H GLU 69 H GLU 69 4.727 0.411 -11.466 564 HA GLU 69 HA GLU 69 4.717 2.215 -9.256 565 HB2 GLU 69 HB2 GLU 69 7.174 2.024 -9.389 566 HB3 GLU 69 HB3 GLU 69 6.375 0.458 -9.337 567 HG2 GLU 69 HG2 GLU 69 6.671 0.238 -11.739 568 HG3 GLU 69 HG3 GLU 69 7.453 1.815 -11.795 569 H THR 70 H THR 70 4.641 2.620 -12.573 570 HA THR 70 HA THR 70 6.082 5.117 -12.569 571 HB THR 70 HB THR 70 6.548 3.745 -14.453 572 HG1 THR 70 HG1 THR 70 5.119 6.090 -14.838 573 HG21 THR 70 HG21 THR 70 4.634 2.331 -14.392 574 HG22 THR 70 HG22 THR 70 4.766 3.037 -16.010 575 HG23 THR 70 HG23 THR 70 3.579 3.662 -14.856 576 H ASP 71 H ASP 71 3.061 4.203 -11.717 577 HA ASP 71 HA ASP 71 1.834 6.646 -12.745 578 HB2 ASP 71 HB2 ASP 71 0.783 4.005 -11.888 579 HB3 ASP 71 HB3 ASP 71 -0.253 5.402 -11.661 580 H THR 72 H THR 72 0.822 8.105 -11.339 581 HA THR 72 HA THR 72 1.704 7.909 -8.544 582 HB THR 72 HB THR 72 0.989 10.526 -8.856 583 HG1 THR 72 HG1 THR 72 2.499 10.405 -11.114 584 HG21 THR 72 HG21 THR 72 3.408 10.990 -9.042 585 HG22 THR 72 HG22 THR 72 3.687 9.285 -9.404 586 HG23 THR 72 HG23 THR 72 3.042 9.762 -7.831 587 HA PRO 73 HA PRO 73 -2.431 7.641 -7.084 588 HB2 PRO 73 HB2 PRO 73 -2.409 9.419 -4.972 589 HB3 PRO 73 HB3 PRO 73 -1.758 7.778 -4.902 590 HG2 PRO 73 HG2 PRO 73 -0.322 10.369 -5.330 591 HG3 PRO 73 HG3 PRO 73 0.155 8.969 -4.351 592 HD2 PRO 73 HD2 PRO 73 1.214 9.459 -6.755 593 HD3 PRO 73 HD3 PRO 73 0.921 7.801 -6.189 594 H ALA 74 H ALA 74 -1.188 10.884 -7.634 595 HA ALA 74 HA ALA 74 -3.705 12.193 -7.568 596 HB1 ALA 74 HB1 ALA 74 -1.144 13.049 -8.879 597 HB2 ALA 74 HB2 ALA 74 -1.589 13.354 -7.197 598 HB3 ALA 74 HB3 ALA 74 -2.516 14.095 -8.508 599 H GLN 75 H GLN 75 -2.118 10.312 -9.948 600 HA GLN 75 HA GLN 75 -3.218 11.496 -12.272 601 HB2 GLN 75 HB2 GLN 75 -2.139 8.768 -11.675 602 HB3 GLN 75 HB3 GLN 75 -2.700 9.223 -13.281 603 HG2 GLN 75 HG2 GLN 75 -0.457 10.493 -11.725 604 HG3 GLN 75 HG3 GLN 75 -0.284 9.395 -13.092 605 HE21 GLN 75 HE21 GLN 75 -1.050 12.601 -12.074 606 HE22 GLN 75 HE22 GLN 75 -1.057 13.322 -13.643 607 H LEU 76 H LEU 76 -4.333 8.993 -10.075 608 HA LEU 76 HA LEU 76 -6.665 8.493 -11.749 609 HB2 LEU 76 HB2 LEU 76 -6.185 7.157 -9.112 610 HB3 LEU 76 HB3 LEU 76 -7.019 6.547 -10.522 611 HG LEU 76 HG LEU 76 -4.533 6.740 -11.541 612 HD11 LEU 76 HD11 LEU 76 -3.581 7.549 -9.427 613 HD12 LEU 76 HD12 LEU 76 -2.910 5.991 -9.905 614 HD13 LEU 76 HD13 LEU 76 -4.128 6.072 -8.633 615 HD21 LEU 76 HD21 LEU 76 -6.039 4.770 -11.501 616 HD22 LEU 76 HD22 LEU 76 -5.469 4.418 -9.867 617 HD23 LEU 76 HD23 LEU 76 -4.346 4.370 -11.223 618 H GLU 77 H GLU 77 -5.952 10.883 -9.848 619 HA GLU 77 HA GLU 77 -6.908 12.239 -8.294 620 HB2 GLU 77 HB2 GLU 77 -9.162 13.000 -8.877 621 HB3 GLU 77 HB3 GLU 77 -8.157 12.828 -10.304 622 HG2 GLU 77 HG2 GLU 77 -9.267 10.746 -10.861 623 HG3 GLU 77 HG3 GLU 77 -10.236 10.851 -9.391 624 H MET 78 H MET 78 -6.640 9.688 -7.266 625 HA MET 78 HA MET 78 -9.045 8.808 -6.018 626 HB2 MET 78 HB2 MET 78 -7.643 7.211 -4.876 627 HB3 MET 78 HB3 MET 78 -7.169 7.302 -6.565 628 HG2 MET 78 HG2 MET 78 -5.455 9.069 -5.592 629 HG3 MET 78 HG3 MET 78 -5.702 8.112 -4.133 630 HE1 MET 78 HE1 MET 78 -5.459 5.344 -4.225 631 HE2 MET 78 HE2 MET 78 -4.783 4.505 -5.621 632 HE3 MET 78 HE3 MET 78 -6.359 5.281 -5.740 633 H GLU 79 H GLU 79 -9.353 8.712 -3.679 634 HA GLU 79 HA GLU 79 -8.451 11.213 -2.430 635 HB2 GLU 79 HB2 GLU 79 -10.483 11.230 -1.180 636 HB3 GLU 79 HB3 GLU 79 -10.904 10.936 -2.863 637 HG2 GLU 79 HG2 GLU 79 -11.021 8.508 -2.335 638 HG3 GLU 79 HG3 GLU 79 -10.765 8.913 -0.646 639 H ASP 80 H ASP 80 -8.215 11.136 -0.031 640 HA ASP 80 HA ASP 80 -6.634 9.055 0.840 641 HB2 ASP 80 HB2 ASP 80 -6.854 10.040 3.065 642 HB3 ASP 80 HB3 ASP 80 -6.602 11.291 1.851 643 H GLU 81 H GLU 81 -6.950 7.332 2.066 644 HA GLU 81 HA GLU 81 -7.883 5.597 3.114 645 HB2 GLU 81 HB2 GLU 81 -10.340 7.335 3.305 646 HB3 GLU 81 HB3 GLU 81 -10.152 5.774 4.096 647 HG2 GLU 81 HG2 GLU 81 -8.175 6.698 5.297 648 HG3 GLU 81 HG3 GLU 81 -8.548 8.266 4.591 649 H ASP 82 H ASP 82 -8.227 6.293 0.144 650 HA ASP 82 HA ASP 82 -10.503 4.707 -0.621 651 HB2 ASP 82 HB2 ASP 82 -9.125 6.517 -2.013 652 HB3 ASP 82 HB3 ASP 82 -8.235 5.089 -2.530 653 H THR 83 H THR 83 -10.227 2.656 -1.955 654 HA THR 83 HA THR 83 -8.268 1.008 -0.509 655 HB THR 83 HB THR 83 -10.819 -0.006 -1.746 656 HG1 THR 83 HG1 THR 83 -10.925 1.692 0.057 657 HG21 THR 83 HG21 THR 83 -10.476 -1.859 -0.168 658 HG22 THR 83 HG22 THR 83 -8.999 -1.092 0.411 659 HG23 THR 83 HG23 THR 83 -9.093 -1.681 -1.247 660 H ILE 84 H ILE 84 -6.803 -0.116 -1.559 661 HA ILE 84 HA ILE 84 -6.828 -0.269 -4.484 662 HB ILE 84 HB ILE 84 -4.671 -1.081 -2.510 663 HG12 ILE 84 HG12 ILE 84 -5.059 1.334 -2.382 664 HG13 ILE 84 HG13 ILE 84 -3.504 0.985 -3.125 665 HG21 ILE 84 HG21 ILE 84 -3.192 -0.974 -4.497 666 HG22 ILE 84 HG22 ILE 84 -4.637 -0.820 -5.499 667 HG23 ILE 84 HG23 ILE 84 -4.386 -2.274 -4.524 668 HD11 ILE 84 HD11 ILE 84 -4.617 2.792 -4.257 669 HD12 ILE 84 HD12 ILE 84 -6.021 1.766 -4.556 670 HD13 ILE 84 HD13 ILE 84 -4.475 1.392 -5.322 671 H ASP 85 H ASP 85 -7.160 -2.215 -5.505 672 HA ASP 85 HA ASP 85 -7.713 -4.506 -3.774 673 HB2 ASP 85 HB2 ASP 85 -8.399 -3.929 -6.639 674 HB3 ASP 85 HB3 ASP 85 -8.638 -5.514 -5.913 675 H VAL 86 H VAL 86 -6.314 -6.074 -3.570 676 HA VAL 86 HA VAL 86 -4.290 -6.455 -5.675 677 HB VAL 86 HB VAL 86 -4.087 -7.036 -2.711 678 HG11 VAL 86 HG11 VAL 86 -2.953 -8.761 -4.050 679 HG12 VAL 86 HG12 VAL 86 -1.816 -7.769 -3.138 680 HG13 VAL 86 HG13 VAL 86 -2.030 -7.500 -4.869 681 HG21 VAL 86 HG21 VAL 86 -3.847 -4.690 -3.281 682 HG22 VAL 86 HG22 VAL 86 -2.611 -5.098 -4.471 683 HG23 VAL 86 HG23 VAL 86 -2.309 -5.371 -2.756 684 H PHE 87 H PHE 87 -3.951 -8.479 -6.469 685 HA PHE 87 HA PHE 87 -5.528 -10.664 -5.363 686 HB2 PHE 87 HB2 PHE 87 -6.067 -11.343 -7.795 687 HB3 PHE 87 HB3 PHE 87 -7.017 -10.057 -7.063 688 HD1 PHE 87 HD1 PHE 87 -6.720 -7.747 -7.761 689 HD2 PHE 87 HD2 PHE 87 -4.597 -10.913 -9.633 690 HE1 PHE 87 HE1 PHE 87 -6.185 -6.267 -9.632 691 HE2 PHE 87 HE2 PHE 87 -4.054 -9.432 -11.524 692 HZ PHE 87 HZ PHE 87 -4.852 -7.101 -11.526 693 H GLN 88 H GLN 88 -4.754 -12.813 -6.082 694 HA GLN 88 HA GLN 88 -1.864 -12.703 -6.189 695 HB2 GLN 88 HB2 GLN 88 -3.315 -14.137 -4.592 696 HB3 GLN 88 HB3 GLN 88 -3.517 -15.196 -5.973 697 HG2 GLN 88 HG2 GLN 88 -1.743 -16.120 -4.761 698 HG3 GLN 88 HG3 GLN 88 -0.994 -15.278 -6.117 699 HE21 GLN 88 HE21 GLN 88 -2.255 -13.573 -3.332 700 HE22 GLN 88 HE22 GLN 88 -0.724 -13.104 -2.701 701 H GLN 89 H GLN 89 -0.869 -12.778 -8.038 702 HA GLN 89 HA GLN 89 -2.048 -14.200 -10.324 703 HB2 GLN 89 HB2 GLN 89 -0.020 -11.986 -10.113 704 HB3 GLN 89 HB3 GLN 89 -0.210 -12.919 -11.590 705 HG2 GLN 89 HG2 GLN 89 -2.401 -11.351 -10.244 706 HG3 GLN 89 HG3 GLN 89 -1.449 -10.790 -11.614 707 HE21 GLN 89 HE21 GLN 89 -4.327 -11.261 -11.415 708 HE22 GLN 89 HE22 GLN 89 -4.709 -12.402 -12.654 709 H GLN 90 H GLN 90 -0.567 -15.376 -8.018 710 HA GLN 90 HA GLN 90 1.970 -16.227 -9.077 711 HB2 GLN 90 HB2 GLN 90 1.578 -15.899 -6.638 712 HB3 GLN 90 HB3 GLN 90 0.474 -17.265 -6.665 713 HG2 GLN 90 HG2 GLN 90 2.311 -18.735 -7.337 714 HG3 GLN 90 HG3 GLN 90 3.418 -17.362 -7.301 715 HE21 GLN 90 HE21 GLN 90 4.709 -18.253 -5.710 716 HE22 GLN 90 HE22 GLN 90 4.199 -18.384 -4.070 717 H THR 91 H THR 91 1.299 -17.187 -11.033 718 HA THR 91 HA THR 91 -0.231 -19.659 -10.812 719 HB THR 91 HB THR 91 0.744 -18.304 -13.334 720 HG1 THR 91 HG1 THR 91 -1.905 -18.128 -12.338 721 HG21 THR 91 HG21 THR 91 -1.451 -20.320 -12.828 722 HG22 THR 91 HG22 THR 91 0.108 -20.655 -13.581 723 HG23 THR 91 HG23 THR 91 -1.053 -19.603 -14.391 724 H GLY 92 H GLY 92 1.430 -20.903 -9.801 725 HA2 GLY 92 HA2 GLY 92 2.778 -22.735 -11.027 726 HA3 GLY 92 HA3 GLY 92 3.825 -21.370 -11.401 727 H GLY 93 H GLY 93 5.591 -22.106 -10.208 728 HA2 GLY 93 HA2 GLY 93 6.072 -21.219 -7.754 729 HA3 GLY 93 HA3 GLY 93 5.174 -22.685 -7.391 Start of MODEL 8 1 H MET 1 H MET 1 4.137 4.633 22.095 2 HA MET 1 HA MET 1 2.561 6.243 21.338 3 HB2 MET 1 HB2 MET 1 2.555 7.722 23.270 4 HB3 MET 1 HB3 MET 1 3.033 6.105 23.759 5 HG2 MET 1 HG2 MET 1 5.371 6.811 23.817 6 HG3 MET 1 HG3 MET 1 4.892 8.428 23.306 7 HE1 MET 1 HE1 MET 1 6.666 7.857 25.898 8 HE2 MET 1 HE2 MET 1 5.924 8.965 27.051 9 HE3 MET 1 HE3 MET 1 6.183 9.474 25.383 10 H ALA 2 H ALA 2 5.844 7.186 20.915 11 HA ALA 2 HA ALA 2 4.993 9.753 19.754 12 HB1 ALA 2 HB1 ALA 2 7.750 8.793 20.508 13 HB2 ALA 2 HB2 ALA 2 6.753 9.907 21.445 14 HB3 ALA 2 HB3 ALA 2 7.353 10.381 19.853 15 H ASP 3 H ASP 3 4.860 6.937 18.705 16 HA ASP 3 HA ASP 3 6.742 6.683 16.598 17 HB2 ASP 3 HB2 ASP 3 4.023 5.399 16.898 18 HB3 ASP 3 HB3 ASP 3 5.338 4.843 15.869 19 H GLU 4 H GLU 4 3.334 7.717 16.782 20 HA GLU 4 HA GLU 4 3.374 8.478 13.994 21 HB2 GLU 4 HB2 GLU 4 1.185 8.667 16.074 22 HB3 GLU 4 HB3 GLU 4 0.993 9.028 14.370 23 HG2 GLU 4 HG2 GLU 4 0.079 6.881 14.720 24 HG3 GLU 4 HG3 GLU 4 1.614 6.638 13.895 25 H LYS 5 H LYS 5 4.775 9.902 16.443 26 HA LYS 5 HA LYS 5 4.139 12.544 15.502 27 HB2 LYS 5 HB2 LYS 5 2.577 12.127 17.415 28 HB3 LYS 5 HB3 LYS 5 3.975 11.886 18.451 29 HG2 LYS 5 HG2 LYS 5 3.064 14.119 18.723 30 HG3 LYS 5 HG3 LYS 5 4.689 14.181 18.036 31 HD2 LYS 5 HD2 LYS 5 3.765 14.522 15.818 32 HD3 LYS 5 HD3 LYS 5 2.126 14.368 16.454 33 HE2 LYS 5 HE2 LYS 5 2.453 16.363 17.808 34 HE3 LYS 5 HE3 LYS 5 4.114 16.498 17.228 35 HZ1 LYS 5 HZ1 LYS 5 2.578 17.977 16.058 36 HZ2 LYS 5 HZ2 LYS 5 1.698 16.643 15.511 37 HZ3 LYS 5 HZ3 LYS 5 3.300 16.862 15.012 38 HA PRO 6 HA PRO 6 8.568 11.961 16.466 39 HB2 PRO 6 HB2 PRO 6 9.548 12.241 14.003 40 HB3 PRO 6 HB3 PRO 6 8.784 10.727 14.501 41 HG2 PRO 6 HG2 PRO 6 7.718 12.903 12.774 42 HG3 PRO 6 HG3 PRO 6 7.453 11.155 12.669 43 HD2 PRO 6 HD2 PRO 6 5.722 13.050 13.834 44 HD3 PRO 6 HD3 PRO 6 5.612 11.287 13.993 45 H LYS 7 H LYS 7 10.453 13.511 15.494 46 HA LYS 7 HA LYS 7 9.696 16.148 16.262 47 HB2 LYS 7 HB2 LYS 7 12.081 16.697 15.760 48 HB3 LYS 7 HB3 LYS 7 11.865 15.376 16.895 49 HG2 LYS 7 HG2 LYS 7 13.547 14.561 15.544 50 HG3 LYS 7 HG3 LYS 7 12.110 13.877 14.786 51 HD2 LYS 7 HD2 LYS 7 12.124 15.601 13.101 52 HD3 LYS 7 HD3 LYS 7 13.481 16.406 13.891 53 HE2 LYS 7 HE2 LYS 7 13.534 13.623 12.730 54 HE3 LYS 7 HE3 LYS 7 14.181 15.061 11.945 55 HZ1 LYS 7 HZ1 LYS 7 15.122 13.901 14.517 56 HZ2 LYS 7 HZ2 LYS 7 15.719 15.318 13.813 57 HZ3 LYS 7 HZ3 LYS 7 15.927 13.837 13.031 58 H GLU 8 H GLU 8 9.238 14.578 13.428 59 HA GLU 8 HA GLU 8 9.952 16.535 11.507 60 HB2 GLU 8 HB2 GLU 8 7.835 14.385 11.420 61 HB3 GLU 8 HB3 GLU 8 8.359 15.332 10.036 62 HG2 GLU 8 HG2 GLU 8 10.618 14.386 10.295 63 HG3 GLU 8 HG3 GLU 8 10.020 13.391 11.623 64 H GLY 9 H GLY 9 8.225 17.667 10.180 65 HA2 GLY 9 HA2 GLY 9 5.690 18.240 10.752 66 HA3 GLY 9 HA3 GLY 9 6.515 19.119 12.029 67 H VAL 10 H VAL 10 7.882 18.747 8.835 68 HA VAL 10 HA VAL 10 7.887 21.607 8.549 69 HB VAL 10 HB VAL 10 9.833 20.160 7.854 70 HG11 VAL 10 HG11 VAL 10 9.757 19.058 5.658 71 HG12 VAL 10 HG12 VAL 10 8.018 19.363 5.591 72 HG13 VAL 10 HG13 VAL 10 8.682 18.316 6.845 73 HG21 VAL 10 HG21 VAL 10 10.336 21.414 5.804 74 HG22 VAL 10 HG22 VAL 10 9.663 22.441 7.070 75 HG23 VAL 10 HG23 VAL 10 8.652 21.925 5.721 76 H LYS 11 H LYS 11 6.659 22.782 7.117 77 HA LYS 11 HA LYS 11 4.605 23.344 6.275 78 HB2 LYS 11 HB2 LYS 11 5.557 21.102 4.555 79 HB3 LYS 11 HB3 LYS 11 3.941 21.735 4.289 80 HG2 LYS 11 HG2 LYS 11 5.303 22.895 2.773 81 HG3 LYS 11 HG3 LYS 11 5.047 24.023 4.099 82 HD2 LYS 11 HD2 LYS 11 7.356 24.113 3.483 83 HD3 LYS 11 HD3 LYS 11 7.235 23.295 5.043 84 HE2 LYS 11 HE2 LYS 11 8.816 22.151 3.578 85 HE3 LYS 11 HE3 LYS 11 7.425 21.127 3.925 86 HZ1 LYS 11 HZ1 LYS 11 6.524 21.643 1.757 87 HZ2 LYS 11 HZ2 LYS 11 8.107 21.068 1.587 88 HZ3 LYS 11 HZ3 LYS 11 7.793 22.717 1.442 89 H THR 12 H THR 12 4.125 22.305 8.563 90 HA THR 12 HA THR 12 2.482 19.948 8.524 91 HB THR 12 HB THR 12 3.816 20.425 10.445 92 HG1 THR 12 HG1 THR 12 1.040 20.684 11.021 93 HG21 THR 12 HG21 THR 12 3.259 22.302 11.992 94 HG22 THR 12 HG22 THR 12 2.148 22.916 10.763 95 HG23 THR 12 HG23 THR 12 3.875 22.835 10.427 96 H GLU 13 H GLU 13 1.412 21.372 6.754 97 HA GLU 13 HA GLU 13 -1.251 21.708 7.396 98 HB2 GLU 13 HB2 GLU 13 -1.487 24.198 6.984 99 HB3 GLU 13 HB3 GLU 13 -0.774 23.758 8.521 100 HG2 GLU 13 HG2 GLU 13 1.461 24.265 7.581 101 HG3 GLU 13 HG3 GLU 13 0.670 24.802 6.098 102 H ASN 14 H ASN 14 1.017 23.387 5.264 103 HA ASN 14 HA ASN 14 -0.489 22.620 2.905 104 HB2 ASN 14 HB2 ASN 14 1.905 24.341 3.433 105 HB3 ASN 14 HB3 ASN 14 1.681 23.703 1.811 106 HD21 ASN 14 HD21 ASN 14 -1.031 24.518 3.870 107 HD22 ASN 14 HD22 ASN 14 -1.520 25.911 2.975 108 H ASN 15 H ASN 15 0.150 20.405 4.146 109 HA ASN 15 HA ASN 15 2.725 19.380 3.370 110 HB2 ASN 15 HB2 ASN 15 1.270 18.853 5.493 111 HB3 ASN 15 HB3 ASN 15 0.541 17.649 4.434 112 HD21 ASN 15 HD21 ASN 15 3.453 18.714 5.978 113 HD22 ASN 15 HD22 ASN 15 4.307 17.213 5.839 114 H ASP 16 H ASP 16 -0.696 18.833 2.465 115 HA ASP 16 HA ASP 16 -1.631 18.158 0.559 116 HB2 ASP 16 HB2 ASP 16 0.270 19.636 -0.403 117 HB3 ASP 16 HB3 ASP 16 1.040 18.109 -0.815 118 H HIS 17 H HIS 17 -1.171 16.223 2.370 119 HA HIS 17 HA HIS 17 -0.323 13.973 0.699 120 HB2 HIS 17 HB2 HIS 17 0.503 12.759 2.594 121 HB3 HIS 17 HB3 HIS 17 1.214 14.362 2.652 122 HD1 HIS 17 HD1 HIS 17 1.155 15.420 4.888 123 HD2 HIS 17 HD2 HIS 17 -1.832 12.550 4.482 124 HE1 HIS 17 HE1 HIS 17 0.028 15.286 7.135 125 HE2 HIS 17 HE2 HIS 17 -1.779 13.554 6.870 126 H ILE 18 H ILE 18 -1.419 12.019 0.907 127 HA ILE 18 HA ILE 18 -4.068 12.213 2.160 128 HB ILE 18 HB ILE 18 -4.989 10.865 0.258 129 HG12 ILE 18 HG12 ILE 18 -2.483 11.693 -1.214 130 HG13 ILE 18 HG13 ILE 18 -2.727 10.086 -0.542 131 HG21 ILE 18 HG21 ILE 18 -3.916 13.593 -0.447 132 HG22 ILE 18 HG22 ILE 18 -5.428 13.244 0.393 133 HG23 ILE 18 HG23 ILE 18 -5.221 12.759 -1.289 134 HD11 ILE 18 HD11 ILE 18 -3.210 10.134 -2.919 135 HD12 ILE 18 HD12 ILE 18 -4.426 11.387 -2.662 136 HD13 ILE 18 HD13 ILE 18 -4.663 9.771 -1.991 137 H ASN 19 H ASN 19 -5.074 9.950 2.236 138 HA ASN 19 HA ASN 19 -3.005 8.068 3.150 139 HB2 ASN 19 HB2 ASN 19 -4.516 8.694 4.938 140 HB3 ASN 19 HB3 ASN 19 -5.918 8.378 3.927 141 HD21 ASN 19 HD21 ASN 19 -3.469 6.988 5.936 142 HD22 ASN 19 HD22 ASN 19 -4.115 5.395 5.959 143 H LEU 20 H LEU 20 -2.847 6.128 2.189 144 HA LEU 20 HA LEU 20 -5.022 5.335 0.384 145 HB2 LEU 20 HB2 LEU 20 -2.048 5.094 -0.083 146 HB3 LEU 20 HB3 LEU 20 -3.226 4.174 -0.991 147 HG LEU 20 HG LEU 20 -2.630 5.980 -2.379 148 HD11 LEU 20 HD11 LEU 20 -4.653 7.242 -2.658 149 HD12 LEU 20 HD12 LEU 20 -5.180 6.823 -1.030 150 HD13 LEU 20 HD13 LEU 20 -5.037 5.567 -2.261 151 HD21 LEU 20 HD21 LEU 20 -2.619 8.304 -1.678 152 HD22 LEU 20 HD22 LEU 20 -1.507 7.342 -0.704 153 HD23 LEU 20 HD23 LEU 20 -3.073 7.821 -0.043 154 H LYS 21 H LYS 21 -5.712 3.297 0.568 155 HA LYS 21 HA LYS 21 -4.249 1.601 2.462 156 HB2 LYS 21 HB2 LYS 21 -7.239 1.813 2.120 157 HB3 LYS 21 HB3 LYS 21 -6.399 0.746 3.239 158 HG2 LYS 21 HG2 LYS 21 -5.489 2.688 4.411 159 HG3 LYS 21 HG3 LYS 21 -6.336 3.750 3.292 160 HD2 LYS 21 HD2 LYS 21 -7.681 1.759 5.119 161 HD3 LYS 21 HD3 LYS 21 -7.548 3.492 5.429 162 HE2 LYS 21 HE2 LYS 21 -8.728 3.878 3.264 163 HE3 LYS 21 HE3 LYS 21 -9.013 2.143 3.167 164 HZ1 LYS 21 HZ1 LYS 21 -10.914 3.250 4.081 165 HZ2 LYS 21 HZ2 LYS 21 -9.977 3.981 5.291 166 HZ3 LYS 21 HZ3 LYS 21 -10.203 2.299 5.286 167 H VAL 22 H VAL 22 -4.202 -0.553 2.017 168 HA VAL 22 HA VAL 22 -5.095 -1.284 -0.682 169 HB VAL 22 HB VAL 22 -2.704 -1.051 -0.807 170 HG11 VAL 22 HG11 VAL 22 -1.170 -1.899 0.671 171 HG12 VAL 22 HG12 VAL 22 -2.383 -2.889 1.487 172 HG13 VAL 22 HG13 VAL 22 -2.428 -1.131 1.646 173 HG21 VAL 22 HG21 VAL 22 -1.965 -3.330 -1.277 174 HG22 VAL 22 HG22 VAL 22 -3.556 -2.994 -1.955 175 HG23 VAL 22 HG23 VAL 22 -3.410 -3.951 -0.480 176 H ALA 23 H ALA 23 -6.301 -3.051 -0.816 177 HA ALA 23 HA ALA 23 -6.454 -4.770 1.575 178 HB1 ALA 23 HB1 ALA 23 -8.480 -3.429 1.295 179 HB2 ALA 23 HB2 ALA 23 -8.808 -5.143 1.051 180 HB3 ALA 23 HB3 ALA 23 -8.682 -4.063 -0.338 181 H GLY 24 H GLY 24 -6.017 -6.813 1.227 182 HA2 GLY 24 HA2 GLY 24 -5.715 -7.711 -1.562 183 HA3 GLY 24 HA3 GLY 24 -4.859 -8.400 -0.185 184 H GLN 25 H GLN 25 -6.485 -9.728 -2.211 185 HA GLN 25 HA GLN 25 -8.971 -10.546 -1.344 186 HB2 GLN 25 HB2 GLN 25 -8.231 -12.823 -2.466 187 HB3 GLN 25 HB3 GLN 25 -8.537 -11.382 -3.418 188 HG2 GLN 25 HG2 GLN 25 -6.532 -12.529 -4.182 189 HG3 GLN 25 HG3 GLN 25 -6.145 -10.935 -3.541 190 HE21 GLN 25 HE21 GLN 25 -4.821 -10.761 -1.788 191 HE22 GLN 25 HE22 GLN 25 -4.023 -12.102 -1.052 192 H ASP 26 H ASP 26 -6.023 -11.155 0.203 193 HA ASP 26 HA ASP 26 -6.639 -13.568 1.573 194 HB2 ASP 26 HB2 ASP 26 -4.349 -12.981 1.441 195 HB3 ASP 26 HB3 ASP 26 -4.653 -11.338 1.985 196 H GLY 27 H GLY 27 -7.489 -10.266 1.999 197 HA2 GLY 27 HA2 GLY 27 -9.415 -9.665 3.327 198 HA3 GLY 27 HA3 GLY 27 -9.010 -10.976 4.427 199 H SER 28 H SER 28 -6.287 -9.352 3.429 200 HA SER 28 HA SER 28 -6.118 -7.925 5.978 201 HB2 SER 28 HB2 SER 28 -4.361 -9.590 5.523 202 HB3 SER 28 HB3 SER 28 -3.945 -8.746 4.034 203 HG SER 28 HG SER 28 -2.540 -7.929 5.417 204 H VAL 29 H VAL 29 -5.109 -5.786 5.981 205 HA VAL 29 HA VAL 29 -5.068 -4.330 3.485 206 HB VAL 29 HB VAL 29 -7.404 -4.101 4.013 207 HG11 VAL 29 HG11 VAL 29 -7.335 -4.708 6.335 208 HG12 VAL 29 HG12 VAL 29 -8.215 -3.196 6.115 209 HG13 VAL 29 HG13 VAL 29 -6.564 -3.175 6.743 210 HG21 VAL 29 HG21 VAL 29 -7.636 -1.672 4.299 211 HG22 VAL 29 HG22 VAL 29 -6.346 -2.078 3.167 212 HG23 VAL 29 HG23 VAL 29 -5.952 -1.578 4.812 213 H VAL 30 H VAL 30 -3.721 -2.556 3.549 214 HA VAL 30 HA VAL 30 -2.567 -1.902 6.168 215 HB VAL 30 HB VAL 30 -0.946 -1.723 3.645 216 HG11 VAL 30 HG11 VAL 30 -0.131 -0.527 5.597 217 HG12 VAL 30 HG12 VAL 30 0.940 -1.870 5.197 218 HG13 VAL 30 HG13 VAL 30 -0.186 -2.010 6.547 219 HG21 VAL 30 HG21 VAL 30 -1.212 -4.138 5.427 220 HG22 VAL 30 HG22 VAL 30 0.051 -3.917 4.211 221 HG23 VAL 30 HG23 VAL 30 -1.640 -4.021 3.719 222 H GLN 31 H GLN 31 -2.269 0.279 6.591 223 HA GLN 31 HA GLN 31 -3.314 2.101 4.540 224 HB2 GLN 31 HB2 GLN 31 -3.155 2.547 7.527 225 HB3 GLN 31 HB3 GLN 31 -3.900 3.620 6.358 226 HG2 GLN 31 HG2 GLN 31 -5.772 2.585 7.118 227 HG3 GLN 31 HG3 GLN 31 -5.334 1.449 5.848 228 HE21 GLN 31 HE21 GLN 31 -4.651 -0.580 6.373 229 HE22 GLN 31 HE22 GLN 31 -4.714 -1.217 7.976 230 H PHE 32 H PHE 32 -2.254 4.008 4.060 231 HA PHE 32 HA PHE 32 0.410 4.454 5.244 232 HB2 PHE 32 HB2 PHE 32 0.011 4.500 2.258 233 HB3 PHE 32 HB3 PHE 32 1.526 4.587 3.142 234 HD1 PHE 32 HD1 PHE 32 -1.225 2.385 2.115 235 HD2 PHE 32 HD2 PHE 32 2.661 2.605 3.840 236 HE1 PHE 32 HE1 PHE 32 -0.980 -0.024 1.868 237 HE2 PHE 32 HE2 PHE 32 2.903 0.160 3.595 238 HZ PHE 32 HZ PHE 32 1.062 -1.154 2.605 239 HH31 ALY 33 HH31 ALY 33 -6.600 11.542 5.510 240 HH32 ALY 33 HH32 ALY 33 -7.469 11.209 7.026 241 HH33 ALY 33 HH33 ALY 33 -6.907 9.879 5.991 242 HZ ALY 33 HZ ALY 33 -4.391 10.481 5.435 243 HE3 ALY 33 HE3 ALY 33 -2.967 10.115 7.930 244 HE2 ALY 33 HE2 ALY 33 -3.565 8.653 7.144 245 HD3 ALY 33 HD3 ALY 33 -2.318 9.227 5.129 246 HD2 ALY 33 HD2 ALY 33 -1.737 10.697 5.909 247 HG3 ALY 33 HG3 ALY 33 -0.683 9.281 7.660 248 HG2 ALY 33 HG2 ALY 33 -1.149 7.858 6.716 249 HB3 ALY 33 HB3 ALY 33 0.509 10.114 5.645 250 HB2 ALY 33 HB2 ALY 33 1.188 8.658 6.357 251 HCA ALY 33 HCA ALY 33 -0.711 8.563 4.019 252 H ALY 33 H ALY 33 1.223 6.567 4.985 253 H ILE 34 H ILE 34 -0.007 9.212 2.086 254 HA ILE 34 HA ILE 34 2.801 10.033 1.824 255 HB ILE 34 HB ILE 34 3.031 9.001 -0.364 256 HG12 ILE 34 HG12 ILE 34 0.289 7.795 0.058 257 HG13 ILE 34 HG13 ILE 34 0.615 9.172 -0.989 258 HG21 ILE 34 HG21 ILE 34 3.014 6.617 0.249 259 HG22 ILE 34 HG22 ILE 34 2.029 7.003 1.660 260 HG23 ILE 34 HG23 ILE 34 3.677 7.625 1.539 261 HD11 ILE 34 HD11 ILE 34 2.041 7.782 -2.386 262 HD12 ILE 34 HD12 ILE 34 0.423 7.095 -2.249 263 HD13 ILE 34 HD13 ILE 34 1.756 6.406 -1.320 264 H LYS 35 H LYS 35 3.085 11.401 -0.201 265 HA LYS 35 HA LYS 35 0.904 13.242 -0.352 266 HB2 LYS 35 HB2 LYS 35 3.614 13.176 -1.654 267 HB3 LYS 35 HB3 LYS 35 2.404 14.367 -2.105 268 HG2 LYS 35 HG2 LYS 35 3.788 15.426 -0.537 269 HG3 LYS 35 HG3 LYS 35 2.314 15.013 0.340 270 HD2 LYS 35 HD2 LYS 35 4.058 14.419 1.789 271 HD3 LYS 35 HD3 LYS 35 3.541 12.903 1.039 272 HE2 LYS 35 HE2 LYS 35 5.383 13.029 -0.540 273 HE3 LYS 35 HE3 LYS 35 5.895 14.568 0.150 274 HZ1 LYS 35 HZ1 LYS 35 7.212 12.712 0.966 275 HZ2 LYS 35 HZ2 LYS 35 5.832 11.977 1.600 276 HZ3 LYS 35 HZ3 LYS 35 6.368 13.448 2.226 277 H ARG 36 H ARG 36 -0.210 13.829 -2.239 278 HA ARG 36 HA ARG 36 -1.092 11.619 -3.778 279 HB2 ARG 36 HB2 ARG 36 -2.302 13.377 -5.090 280 HB3 ARG 36 HB3 ARG 36 -2.660 13.326 -3.374 281 HG2 ARG 36 HG2 ARG 36 -1.446 15.268 -2.943 282 HG3 ARG 36 HG3 ARG 36 -0.597 15.176 -4.490 283 HD2 ARG 36 HD2 ARG 36 -2.635 15.581 -5.652 284 HD3 ARG 36 HD3 ARG 36 -3.540 15.658 -4.138 285 HE ARG 36 HE ARG 36 -1.416 17.508 -4.058 286 HH11 ARG 36 HH11 ARG 36 -4.506 17.014 -5.673 287 HH12 ARG 36 HH12 ARG 36 -4.832 18.698 -5.860 288 HH21 ARG 36 HH21 ARG 36 -1.860 19.748 -4.303 289 HH22 ARG 36 HH22 ARG 36 -3.312 20.270 -5.089 290 H HIS 37 H HIS 37 1.595 13.634 -4.075 291 HA HIS 37 HA HIS 37 1.755 13.182 -6.967 292 HB2 HIS 37 HB2 HIS 37 1.785 15.515 -6.269 293 HB3 HIS 37 HB3 HIS 37 3.113 15.201 -5.171 294 HD1 HIS 37 HD1 HIS 37 2.320 15.487 -8.851 295 HD2 HIS 37 HD2 HIS 37 5.636 15.263 -6.359 296 HE1 HIS 37 HE1 HIS 37 4.297 16.004 -10.306 297 HE2 HIS 37 HE2 HIS 37 6.296 15.782 -8.800 298 H THR 38 H THR 38 2.607 11.972 -4.113 299 HA THR 38 HA THR 38 5.342 11.253 -4.643 300 HB THR 38 HB THR 38 3.382 11.021 -2.427 301 HG1 THR 38 HG1 THR 38 5.773 12.232 -2.916 302 HG21 THR 38 HG21 THR 38 5.841 9.263 -2.590 303 HG22 THR 38 HG22 THR 38 4.162 8.717 -2.606 304 HG23 THR 38 HG23 THR 38 4.829 9.479 -1.160 305 HA PRO 39 HA PRO 39 4.303 7.578 -6.898 306 HB2 PRO 39 HB2 PRO 39 6.453 6.015 -6.149 307 HB3 PRO 39 HB3 PRO 39 6.495 7.230 -7.429 308 HG2 PRO 39 HG2 PRO 39 7.403 7.431 -4.595 309 HG3 PRO 39 HG3 PRO 39 8.164 8.068 -6.065 310 HD2 PRO 39 HD2 PRO 39 6.778 9.636 -4.395 311 HD3 PRO 39 HD3 PRO 39 6.744 9.897 -6.153 312 H LEU 40 H LEU 40 2.686 6.288 -6.264 313 HA LEU 40 HA LEU 40 2.360 5.392 -3.593 314 HB2 LEU 40 HB2 LEU 40 0.400 4.316 -4.261 315 HB3 LEU 40 HB3 LEU 40 0.486 5.757 -5.242 316 HG LEU 40 HG LEU 40 1.058 2.933 -6.147 317 HD11 LEU 40 HD11 LEU 40 -0.946 3.368 -7.563 318 HD12 LEU 40 HD12 LEU 40 -1.231 4.807 -6.587 319 HD13 LEU 40 HD13 LEU 40 -1.245 3.210 -5.833 320 HD21 LEU 40 HD21 LEU 40 2.478 4.479 -7.337 321 HD22 LEU 40 HD22 LEU 40 1.083 5.492 -7.725 322 HD23 LEU 40 HD23 LEU 40 1.208 3.860 -8.391 323 H SER 41 H SER 41 4.157 4.253 -6.171 324 HA SER 41 HA SER 41 4.306 1.522 -5.868 325 HB2 SER 41 HB2 SER 41 6.701 1.827 -6.649 326 HB3 SER 41 HB3 SER 41 5.453 2.549 -7.666 327 HG SER 41 HG SER 41 6.851 4.172 -7.432 328 H LYS 42 H LYS 42 5.564 4.035 -3.830 329 HA LYS 42 HA LYS 42 7.435 2.541 -2.347 330 HB2 LYS 42 HB2 LYS 42 5.743 4.840 -1.344 331 HB3 LYS 42 HB3 LYS 42 7.271 4.291 -0.677 332 HG2 LYS 42 HG2 LYS 42 8.420 4.978 -2.723 333 HG3 LYS 42 HG3 LYS 42 6.883 5.519 -3.402 334 HD2 LYS 42 HD2 LYS 42 7.944 7.464 -2.565 335 HD3 LYS 42 HD3 LYS 42 6.693 7.053 -1.390 336 HE2 LYS 42 HE2 LYS 42 8.409 5.918 -0.021 337 HE3 LYS 42 HE3 LYS 42 9.631 6.436 -1.181 338 HZ1 LYS 42 HZ1 LYS 42 7.977 8.165 0.573 339 HZ2 LYS 42 HZ2 LYS 42 8.934 8.752 -0.691 340 HZ3 LYS 42 HZ3 LYS 42 9.655 7.962 0.606 341 H LEU 43 H LEU 43 3.978 3.202 -1.813 342 HA LEU 43 HA LEU 43 3.870 1.587 0.534 343 HB2 LEU 43 HB2 LEU 43 1.592 2.088 0.679 344 HB3 LEU 43 HB3 LEU 43 2.291 3.513 -0.048 345 HG LEU 43 HG LEU 43 1.524 2.392 -2.297 346 HD11 LEU 43 HD11 LEU 43 0.816 0.267 -1.309 347 HD12 LEU 43 HD12 LEU 43 -0.538 1.100 -2.073 348 HD13 LEU 43 HD13 LEU 43 -0.366 1.119 -0.317 349 HD21 LEU 43 HD21 LEU 43 0.688 4.515 -1.424 350 HD22 LEU 43 HD22 LEU 43 -0.417 3.637 -0.364 351 HD23 LEU 43 HD23 LEU 43 -0.621 3.551 -2.112 352 H MET 44 H MET 44 3.168 1.076 -2.884 353 HA MET 44 HA MET 44 1.956 -1.433 -2.602 354 HB2 MET 44 HB2 MET 44 3.573 -0.386 -4.931 355 HB3 MET 44 HB3 MET 44 2.540 -1.809 -4.974 356 HG2 MET 44 HG2 MET 44 0.649 -0.252 -4.274 357 HG3 MET 44 HG3 MET 44 1.742 1.064 -4.691 358 HE1 MET 44 HE1 MET 44 2.712 1.433 -7.189 359 HE2 MET 44 HE2 MET 44 2.366 0.326 -8.518 360 HE3 MET 44 HE3 MET 44 3.325 -0.220 -7.144 361 H LYS 45 H LYS 45 5.397 -0.599 -3.033 362 HA LYS 45 HA LYS 45 6.248 -3.308 -3.008 363 HB2 LYS 45 HB2 LYS 45 7.714 -0.728 -2.534 364 HB3 LYS 45 HB3 LYS 45 8.506 -2.295 -2.433 365 HG2 LYS 45 HG2 LYS 45 7.472 -2.656 -4.788 366 HG3 LYS 45 HG3 LYS 45 7.376 -0.897 -4.801 367 HD2 LYS 45 HD2 LYS 45 9.724 -0.676 -4.528 368 HD3 LYS 45 HD3 LYS 45 9.905 -2.394 -4.160 369 HE2 LYS 45 HE2 LYS 45 10.628 -2.037 -6.415 370 HE3 LYS 45 HE3 LYS 45 9.089 -2.906 -6.439 371 HZ1 LYS 45 HZ1 LYS 45 8.005 -0.719 -6.805 372 HZ2 LYS 45 HZ2 LYS 45 8.982 -1.224 -8.081 373 HZ3 LYS 45 HZ3 LYS 45 9.540 -0.033 -7.009 374 H ALA 46 H ALA 46 5.738 -0.888 -0.527 375 HA ALA 46 HA ALA 46 7.017 -2.251 1.591 376 HB1 ALA 46 HB1 ALA 46 4.748 -0.262 1.694 377 HB2 ALA 46 HB2 ALA 46 6.467 0.132 1.727 378 HB3 ALA 46 HB3 ALA 46 5.738 -0.767 3.062 379 H TYR 47 H TYR 47 3.802 -2.328 0.214 380 HA TYR 47 HA TYR 47 2.513 -3.861 2.159 381 HB2 TYR 47 HB2 TYR 47 1.258 -2.718 0.440 382 HB3 TYR 47 HB3 TYR 47 2.055 -3.652 -0.820 383 HD1 TYR 47 HD1 TYR 47 -0.444 -3.726 1.849 384 HD2 TYR 47 HD2 TYR 47 1.372 -5.913 -1.301 385 HE1 TYR 47 HE1 TYR 47 -2.226 -5.378 1.997 386 HE2 TYR 47 HE2 TYR 47 -0.412 -7.588 -1.196 387 HH TYR 47 HH TYR 47 -2.049 -8.412 0.568 388 H CYS 48 H CYS 48 4.032 -4.884 -0.896 389 HA CYS 48 HA CYS 48 3.653 -7.627 -0.567 390 HB2 CYS 48 HB2 CYS 48 5.991 -6.357 -2.024 391 HB3 CYS 48 HB3 CYS 48 5.236 -7.914 -2.336 392 HG CYS 48 HG CYS 48 3.805 -4.858 -2.906 393 H GLU 49 H GLU 49 6.273 -5.508 0.491 394 HA GLU 49 HA GLU 49 8.047 -7.472 1.417 395 HB2 GLU 49 HB2 GLU 49 7.577 -4.645 2.337 396 HB3 GLU 49 HB3 GLU 49 8.914 -5.644 2.894 397 HG2 GLU 49 HG2 GLU 49 9.714 -5.790 0.579 398 HG3 GLU 49 HG3 GLU 49 8.394 -4.726 0.083 399 H ARG 50 H ARG 50 5.517 -5.675 3.149 400 HA ARG 50 HA ARG 50 6.078 -6.969 5.641 401 HB2 ARG 50 HB2 ARG 50 4.108 -5.754 6.479 402 HB3 ARG 50 HB3 ARG 50 5.223 -4.703 5.618 403 HG2 ARG 50 HG2 ARG 50 3.710 -5.035 3.590 404 HG3 ARG 50 HG3 ARG 50 2.537 -5.699 4.731 405 HD2 ARG 50 HD2 ARG 50 2.285 -3.266 4.217 406 HD3 ARG 50 HD3 ARG 50 2.431 -3.652 5.924 407 HE ARG 50 HE ARG 50 4.753 -2.774 4.334 408 HH11 ARG 50 HH11 ARG 50 2.653 -2.373 7.136 409 HH12 ARG 50 HH12 ARG 50 3.647 -1.157 7.862 410 HH21 ARG 50 HH21 ARG 50 6.090 -1.180 5.317 411 HH22 ARG 50 HH22 ARG 50 5.618 -0.487 6.830 412 H GLN 51 H GLN 51 3.684 -7.431 3.105 413 HA GLN 51 HA GLN 51 2.172 -9.327 4.606 414 HB2 GLN 51 HB2 GLN 51 2.163 -8.579 1.700 415 HB3 GLN 51 HB3 GLN 51 1.034 -9.727 2.430 416 HG2 GLN 51 HG2 GLN 51 1.394 -6.878 3.239 417 HG3 GLN 51 HG3 GLN 51 0.128 -7.481 2.168 418 HE21 GLN 51 HE21 GLN 51 1.328 -7.448 5.453 419 HE22 GLN 51 HE22 GLN 51 -0.120 -8.017 6.200 420 H GLY 52 H GLY 52 4.961 -9.515 2.660 421 HA2 GLY 52 HA2 GLY 52 6.326 -11.396 2.446 422 HA3 GLY 52 HA3 GLY 52 5.006 -12.381 3.079 423 H LEU 53 H LEU 53 5.030 -10.111 0.393 424 HA LEU 53 HA LEU 53 4.478 -12.324 -1.451 425 HB2 LEU 53 HB2 LEU 53 2.974 -9.730 -1.198 426 HB3 LEU 53 HB3 LEU 53 2.989 -10.642 -2.690 427 HG LEU 53 HG LEU 53 0.986 -11.133 -1.607 428 HD11 LEU 53 HD11 LEU 53 1.089 -13.534 -1.211 429 HD12 LEU 53 HD12 LEU 53 2.843 -13.438 -1.070 430 HD13 LEU 53 HD13 LEU 53 2.060 -13.071 -2.608 431 HD21 LEU 53 HD21 LEU 53 1.522 -10.360 0.606 432 HD22 LEU 53 HD22 LEU 53 2.532 -11.781 0.880 433 HD23 LEU 53 HD23 LEU 53 0.787 -11.962 0.668 434 H SER 54 H SER 54 4.776 -11.525 -3.776 435 HA SER 54 HA SER 54 6.905 -9.508 -3.868 436 HB2 SER 54 HB2 SER 54 6.699 -12.151 -5.291 437 HB3 SER 54 HB3 SER 54 7.800 -10.888 -5.816 438 HG SER 54 HG SER 54 7.733 -12.204 -3.299 439 H MET 55 H MET 55 7.087 -8.368 -5.919 440 HA MET 55 HA MET 55 4.641 -7.402 -6.840 441 HB2 MET 55 HB2 MET 55 7.466 -7.128 -7.773 442 HB3 MET 55 HB3 MET 55 6.167 -6.513 -8.787 443 HG2 MET 55 HG2 MET 55 6.587 -5.764 -5.913 444 HG3 MET 55 HG3 MET 55 7.149 -4.821 -7.296 445 HE1 MET 55 HE1 MET 55 5.678 -2.938 -5.769 446 HE2 MET 55 HE2 MET 55 5.016 -4.228 -4.763 447 HE3 MET 55 HE3 MET 55 3.933 -3.093 -5.565 448 H ARG 56 H ARG 56 6.605 -10.011 -7.972 449 HA ARG 56 HA ARG 56 5.143 -10.285 -10.451 450 HB2 ARG 56 HB2 ARG 56 6.559 -12.349 -10.775 451 HB3 ARG 56 HB3 ARG 56 7.448 -10.845 -10.648 452 HG2 ARG 56 HG2 ARG 56 7.072 -12.444 -8.174 453 HG3 ARG 56 HG3 ARG 56 8.205 -13.036 -9.390 454 HD2 ARG 56 HD2 ARG 56 8.272 -10.307 -8.087 455 HD3 ARG 56 HD3 ARG 56 9.336 -11.657 -7.714 456 HE ARG 56 HE ARG 56 9.720 -11.331 -10.350 457 HH11 ARG 56 HH11 ARG 56 9.808 -9.059 -7.668 458 HH12 ARG 56 HH12 ARG 56 10.954 -8.018 -8.433 459 HH21 ARG 56 HH21 ARG 56 11.252 -9.942 -11.340 460 HH22 ARG 56 HH22 ARG 56 11.760 -8.507 -10.516 461 H GLN 57 H GLN 57 4.819 -11.255 -7.264 462 HA GLN 57 HA GLN 57 3.349 -13.702 -7.818 463 HB2 GLN 57 HB2 GLN 57 4.553 -12.420 -5.447 464 HB3 GLN 57 HB3 GLN 57 3.094 -13.362 -5.149 465 HG2 GLN 57 HG2 GLN 57 5.097 -14.681 -4.803 466 HG3 GLN 57 HG3 GLN 57 4.159 -15.316 -6.151 467 HE21 GLN 57 HE21 GLN 57 4.956 -15.046 -8.255 468 HE22 GLN 57 HE22 GLN 57 6.629 -14.736 -8.532 469 H ILE 58 H ILE 58 2.755 -10.405 -7.098 470 HA ILE 58 HA ILE 58 -0.137 -10.965 -7.093 471 HB ILE 58 HB ILE 58 -0.609 -9.410 -5.334 472 HG12 ILE 58 HG12 ILE 58 2.360 -8.822 -5.328 473 HG13 ILE 58 HG13 ILE 58 1.058 -7.726 -5.779 474 HG21 ILE 58 HG21 ILE 58 0.022 -11.695 -4.669 475 HG22 ILE 58 HG22 ILE 58 0.396 -10.497 -3.428 476 HG23 ILE 58 HG23 ILE 58 1.685 -11.143 -4.446 477 HD11 ILE 58 HD11 ILE 58 1.957 -7.221 -3.571 478 HD12 ILE 58 HD12 ILE 58 1.515 -8.839 -3.023 479 HD13 ILE 58 HD13 ILE 58 0.260 -7.694 -3.498 480 H ARG 59 H ARG 59 -1.299 -8.732 -7.163 481 HA ARG 59 HA ARG 59 0.089 -6.774 -8.751 482 HB2 ARG 59 HB2 ARG 59 -2.077 -8.479 -9.922 483 HB3 ARG 59 HB3 ARG 59 -1.843 -6.831 -10.480 484 HG2 ARG 59 HG2 ARG 59 0.219 -9.025 -10.542 485 HG3 ARG 59 HG3 ARG 59 -0.707 -8.419 -11.920 486 HD2 ARG 59 HD2 ARG 59 0.292 -6.228 -11.640 487 HD3 ARG 59 HD3 ARG 59 1.195 -6.783 -10.243 488 HE ARG 59 HE ARG 59 2.101 -8.502 -11.986 489 HH11 ARG 59 HH11 ARG 59 1.458 -5.099 -12.533 490 HH12 ARG 59 HH12 ARG 59 2.717 -4.919 -13.704 491 HH21 ARG 59 HH21 ARG 59 3.772 -8.265 -13.541 492 HH22 ARG 59 HH22 ARG 59 4.047 -6.727 -14.276 493 H PHE 60 H PHE 60 -0.711 -4.820 -8.628 494 HA PHE 60 HA PHE 60 -2.940 -4.408 -6.804 495 HB2 PHE 60 HB2 PHE 60 -0.779 -2.565 -7.833 496 HB3 PHE 60 HB3 PHE 60 -2.078 -2.051 -6.759 497 HD1 PHE 60 HD1 PHE 60 0.742 -4.464 -7.014 498 HD2 PHE 60 HD2 PHE 60 -1.795 -2.198 -4.457 499 HE1 PHE 60 HE1 PHE 60 2.108 -5.122 -5.084 500 HE2 PHE 60 HE2 PHE 60 -0.434 -2.852 -2.523 501 HZ PHE 60 HZ PHE 60 1.518 -4.320 -2.830 502 H ARG 61 H ARG 61 -4.711 -3.265 -7.385 503 HA ARG 61 HA ARG 61 -4.884 -2.151 -10.069 504 HB2 ARG 61 HB2 ARG 61 -5.633 -4.388 -10.450 505 HB3 ARG 61 HB3 ARG 61 -6.691 -4.331 -9.044 506 HG2 ARG 61 HG2 ARG 61 -7.304 -2.188 -10.854 507 HG3 ARG 61 HG3 ARG 61 -7.339 -3.745 -11.688 508 HD2 ARG 61 HD2 ARG 61 -8.668 -3.392 -9.040 509 HD3 ARG 61 HD3 ARG 61 -9.470 -2.889 -10.525 510 HE ARG 61 HE ARG 61 -8.631 -5.389 -11.061 511 HH11 ARG 61 HH11 ARG 61 -10.603 -4.016 -8.507 512 HH12 ARG 61 HH12 ARG 61 -11.489 -5.478 -8.235 513 HH21 ARG 61 HH21 ARG 61 -9.791 -7.324 -10.708 514 HH22 ARG 61 HH22 ARG 61 -11.027 -7.373 -9.498 515 H PHE 62 H PHE 62 -6.375 -0.568 -10.319 516 HA PHE 62 HA PHE 62 -8.198 0.035 -8.180 517 HB2 PHE 62 HB2 PHE 62 -6.195 1.148 -7.438 518 HB3 PHE 62 HB3 PHE 62 -6.008 1.943 -8.999 519 HD1 PHE 62 HD1 PHE 62 -8.302 1.609 -6.145 520 HD2 PHE 62 HD2 PHE 62 -6.949 4.044 -9.331 521 HE1 PHE 62 HE1 PHE 62 -9.632 3.482 -5.284 522 HE2 PHE 62 HE2 PHE 62 -8.262 5.936 -8.471 523 HZ PHE 62 HZ PHE 62 -9.604 5.652 -6.413 524 H ASP 63 H ASP 63 -9.786 1.513 -8.817 525 HA ASP 63 HA ASP 63 -11.377 2.293 -10.302 526 HB2 ASP 63 HB2 ASP 63 -9.326 3.779 -10.728 527 HB3 ASP 63 HB3 ASP 63 -9.089 2.837 -12.173 528 H GLY 64 H GLY 64 -10.233 -0.489 -10.542 529 HA2 GLY 64 HA2 GLY 64 -10.854 -2.288 -11.764 530 HA3 GLY 64 HA3 GLY 64 -11.656 -1.247 -12.917 531 H GLN 65 H GLN 65 -8.494 -0.153 -12.417 532 HA GLN 65 HA GLN 65 -7.543 -1.687 -14.717 533 HB2 GLN 65 HB2 GLN 65 -6.283 0.344 -15.385 534 HB3 GLN 65 HB3 GLN 65 -8.025 0.576 -15.439 535 HG2 GLN 65 HG2 GLN 65 -7.955 1.756 -13.342 536 HG3 GLN 65 HG3 GLN 65 -6.229 1.467 -13.198 537 HE21 GLN 65 HE21 GLN 65 -5.720 3.580 -13.113 538 HE22 GLN 65 HE22 GLN 65 -5.857 4.671 -14.443 539 HA PRO 66 HA PRO 66 -4.155 -2.915 -12.133 540 HB2 PRO 66 HB2 PRO 66 -2.454 -2.761 -14.533 541 HB3 PRO 66 HB3 PRO 66 -2.846 -4.157 -13.527 542 HG2 PRO 66 HG2 PRO 66 -3.860 -3.840 -16.002 543 HG3 PRO 66 HG3 PRO 66 -4.762 -4.635 -14.701 544 HD2 PRO 66 HD2 PRO 66 -5.092 -1.870 -15.810 545 HD3 PRO 66 HD3 PRO 66 -6.301 -3.020 -15.207 546 H ILE 67 H ILE 67 -2.548 -1.926 -10.987 547 HA ILE 67 HA ILE 67 -1.869 0.828 -11.749 548 HB ILE 67 HB ILE 67 -1.265 -0.608 -9.155 549 HG12 ILE 67 HG12 ILE 67 -3.600 1.219 -9.788 550 HG13 ILE 67 HG13 ILE 67 -3.692 -0.516 -9.514 551 HG21 ILE 67 HG21 ILE 67 -0.902 1.583 -8.240 552 HG22 ILE 67 HG22 ILE 67 -1.365 2.344 -9.763 553 HG23 ILE 67 HG23 ILE 67 0.113 1.382 -9.669 554 HD11 ILE 67 HD11 ILE 67 -2.850 1.563 -7.510 555 HD12 ILE 67 HD12 ILE 67 -2.869 -0.177 -7.226 556 HD13 ILE 67 HD13 ILE 67 -4.374 0.679 -7.540 557 H ASN 68 H ASN 68 0.278 1.520 -11.930 558 HA ASN 68 HA ASN 68 2.283 -0.629 -12.043 559 HB2 ASN 68 HB2 ASN 68 2.821 1.969 -13.386 560 HB3 ASN 68 HB3 ASN 68 3.286 0.342 -13.850 561 HD21 ASN 68 HD21 ASN 68 0.951 2.822 -14.100 562 HD22 ASN 68 HD22 ASN 68 0.000 2.067 -15.312 563 H GLU 69 H GLU 69 4.485 0.161 -11.454 564 HA GLU 69 HA GLU 69 4.236 1.740 -9.069 565 HB2 GLU 69 HB2 GLU 69 6.720 1.333 -8.874 566 HB3 GLU 69 HB3 GLU 69 5.708 -0.101 -8.886 567 HG2 GLU 69 HG2 GLU 69 6.309 -0.571 -11.152 568 HG3 GLU 69 HG3 GLU 69 7.183 0.955 -11.282 569 H THR 70 H THR 70 4.754 2.393 -12.304 570 HA THR 70 HA THR 70 6.367 4.725 -11.929 571 HB THR 70 HB THR 70 5.882 5.077 -14.366 572 HG1 THR 70 HG1 THR 70 4.888 3.164 -15.374 573 HG21 THR 70 HG21 THR 70 7.866 3.865 -13.669 574 HG22 THR 70 HG22 THR 70 7.173 3.085 -15.094 575 HG23 THR 70 HG23 THR 70 6.929 2.383 -13.494 576 H ASP 71 H ASP 71 3.053 4.048 -11.556 577 HA ASP 71 HA ASP 71 2.138 6.613 -12.452 578 HB2 ASP 71 HB2 ASP 71 1.010 4.063 -11.732 579 HB3 ASP 71 HB3 ASP 71 0.120 5.383 -10.987 580 H THR 72 H THR 72 0.853 7.987 -11.041 581 HA THR 72 HA THR 72 1.638 7.866 -8.207 582 HB THR 72 HB THR 72 0.920 10.432 -8.422 583 HG1 THR 72 HG1 THR 72 2.141 9.990 -10.952 584 HG21 THR 72 HG21 THR 72 3.030 9.701 -7.547 585 HG22 THR 72 HG22 THR 72 3.304 10.996 -8.716 586 HG23 THR 72 HG23 THR 72 3.621 9.317 -9.168 587 HA PRO 73 HA PRO 73 -2.566 7.477 -6.994 588 HB2 PRO 73 HB2 PRO 73 -2.689 9.395 -4.977 589 HB3 PRO 73 HB3 PRO 73 -2.117 7.736 -4.773 590 HG2 PRO 73 HG2 PRO 73 -0.548 10.249 -5.169 591 HG3 PRO 73 HG3 PRO 73 -0.186 8.846 -4.146 592 HD2 PRO 73 HD2 PRO 73 1.034 9.293 -6.479 593 HD3 PRO 73 HD3 PRO 73 0.670 7.646 -5.921 594 H ALA 74 H ALA 74 -1.342 10.703 -7.623 595 HA ALA 74 HA ALA 74 -3.874 11.972 -7.778 596 HB1 ALA 74 HB1 ALA 74 -1.864 13.221 -7.296 597 HB2 ALA 74 HB2 ALA 74 -2.611 13.839 -8.777 598 HB3 ALA 74 HB3 ALA 74 -1.194 12.785 -8.869 599 H GLN 75 H GLN 75 -2.090 10.027 -9.963 600 HA GLN 75 HA GLN 75 -3.155 11.022 -12.402 601 HB2 GLN 75 HB2 GLN 75 -1.834 8.477 -11.562 602 HB3 GLN 75 HB3 GLN 75 -2.515 8.632 -13.177 603 HG2 GLN 75 HG2 GLN 75 -0.516 10.557 -12.045 604 HG3 GLN 75 HG3 GLN 75 -0.061 9.101 -12.930 605 HE21 GLN 75 HE21 GLN 75 -1.498 12.248 -13.141 606 HE22 GLN 75 HE22 GLN 75 -1.501 12.354 -14.864 607 H LEU 76 H LEU 76 -4.126 8.534 -10.152 608 HA LEU 76 HA LEU 76 -6.357 7.749 -11.817 609 HB2 LEU 76 HB2 LEU 76 -5.899 6.805 -9.007 610 HB3 LEU 76 HB3 LEU 76 -6.722 5.983 -10.320 611 HG LEU 76 HG LEU 76 -4.217 6.209 -11.356 612 HD11 LEU 76 HD11 LEU 76 -3.312 7.191 -9.338 613 HD12 LEU 76 HD12 LEU 76 -2.631 5.585 -9.612 614 HD13 LEU 76 HD13 LEU 76 -3.889 5.816 -8.397 615 HD21 LEU 76 HD21 LEU 76 -5.071 3.954 -9.554 616 HD22 LEU 76 HD22 LEU 76 -3.963 3.878 -10.921 617 HD23 LEU 76 HD23 LEU 76 -5.678 4.188 -11.192 618 H GLU 77 H GLU 77 -5.871 10.337 -9.942 619 HA GLU 77 HA GLU 77 -7.178 11.877 -8.908 620 HB2 GLU 77 HB2 GLU 77 -9.281 10.457 -10.542 621 HB3 GLU 77 HB3 GLU 77 -9.590 11.939 -9.647 622 HG2 GLU 77 HG2 GLU 77 -7.396 11.749 -11.672 623 HG3 GLU 77 HG3 GLU 77 -9.055 12.126 -12.136 624 H MET 78 H MET 78 -6.660 9.418 -7.537 625 HA MET 78 HA MET 78 -9.055 8.657 -6.153 626 HB2 MET 78 HB2 MET 78 -7.672 7.094 -4.966 627 HB3 MET 78 HB3 MET 78 -7.198 7.080 -6.662 628 HG2 MET 78 HG2 MET 78 -5.450 8.840 -5.832 629 HG3 MET 78 HG3 MET 78 -5.708 8.030 -4.288 630 HE1 MET 78 HE1 MET 78 -4.974 4.273 -5.516 631 HE2 MET 78 HE2 MET 78 -6.508 5.120 -5.700 632 HE3 MET 78 HE3 MET 78 -5.616 5.232 -4.182 633 H GLU 79 H GLU 79 -9.055 8.661 -3.712 634 HA GLU 79 HA GLU 79 -8.120 11.298 -2.734 635 HB2 GLU 79 HB2 GLU 79 -10.202 11.461 -1.471 636 HB3 GLU 79 HB3 GLU 79 -10.534 11.277 -3.190 637 HG2 GLU 79 HG2 GLU 79 -10.737 8.762 -2.647 638 HG3 GLU 79 HG3 GLU 79 -10.869 9.297 -0.984 639 H ASP 80 H ASP 80 -8.157 11.372 -0.171 640 HA ASP 80 HA ASP 80 -6.613 9.310 0.822 641 HB2 ASP 80 HB2 ASP 80 -6.998 10.326 3.032 642 HB3 ASP 80 HB3 ASP 80 -6.573 11.529 1.819 643 H GLU 81 H GLU 81 -6.972 7.696 2.154 644 HA GLU 81 HA GLU 81 -7.939 5.962 3.214 645 HB2 GLU 81 HB2 GLU 81 -10.241 7.866 3.233 646 HB3 GLU 81 HB3 GLU 81 -10.419 6.220 3.831 647 HG2 GLU 81 HG2 GLU 81 -8.171 7.894 4.810 648 HG3 GLU 81 HG3 GLU 81 -9.781 8.171 5.446 649 H ASP 82 H ASP 82 -8.155 6.612 0.222 650 HA ASP 82 HA ASP 82 -10.254 4.957 -0.720 651 HB2 ASP 82 HB2 ASP 82 -9.222 6.597 -2.203 652 HB3 ASP 82 HB3 ASP 82 -7.662 5.798 -2.054 653 H THR 83 H THR 83 -10.051 2.805 -1.699 654 HA THR 83 HA THR 83 -8.019 1.190 -0.313 655 HB THR 83 HB THR 83 -10.750 0.274 -1.230 656 HG1 THR 83 HG1 THR 83 -10.189 1.909 0.720 657 HG21 THR 83 HG21 THR 83 -9.075 -1.514 -0.960 658 HG22 THR 83 HG22 THR 83 -10.325 -1.612 0.280 659 HG23 THR 83 HG23 THR 83 -8.740 -0.947 0.676 660 H ILE 84 H ILE 84 -6.772 -0.178 -1.435 661 HA ILE 84 HA ILE 84 -6.933 -0.204 -4.369 662 HB ILE 84 HB ILE 84 -4.673 -1.149 -2.565 663 HG12 ILE 84 HG12 ILE 84 -5.066 1.281 -2.350 664 HG13 ILE 84 HG13 ILE 84 -3.523 0.922 -3.116 665 HG21 ILE 84 HG21 ILE 84 -4.799 -0.712 -5.539 666 HG22 ILE 84 HG22 ILE 84 -4.562 -2.240 -4.679 667 HG23 ILE 84 HG23 ILE 84 -3.315 -0.993 -4.625 668 HD11 ILE 84 HD11 ILE 84 -4.624 2.778 -4.195 669 HD12 ILE 84 HD12 ILE 84 -6.041 1.778 -4.517 670 HD13 ILE 84 HD13 ILE 84 -4.501 1.407 -5.295 671 H ASP 85 H ASP 85 -6.993 -2.135 -5.531 672 HA ASP 85 HA ASP 85 -7.860 -4.502 -4.026 673 HB2 ASP 85 HB2 ASP 85 -8.185 -3.615 -6.877 674 HB3 ASP 85 HB3 ASP 85 -8.477 -5.284 -6.407 675 H VAL 86 H VAL 86 -6.304 -5.987 -3.627 676 HA VAL 86 HA VAL 86 -4.246 -6.409 -5.706 677 HB VAL 86 HB VAL 86 -4.037 -6.941 -2.732 678 HG11 VAL 86 HG11 VAL 86 -2.837 -8.635 -4.062 679 HG12 VAL 86 HG12 VAL 86 -1.730 -7.586 -3.181 680 HG13 VAL 86 HG13 VAL 86 -1.980 -7.346 -4.911 681 HG21 VAL 86 HG21 VAL 86 -2.335 -5.205 -2.791 682 HG22 VAL 86 HG22 VAL 86 -3.891 -4.589 -3.353 683 HG23 VAL 86 HG23 VAL 86 -2.621 -4.976 -4.515 684 H PHE 87 H PHE 87 -3.905 -8.386 -6.514 685 HA PHE 87 HA PHE 87 -5.407 -10.641 -5.413 686 HB2 PHE 87 HB2 PHE 87 -5.940 -11.300 -7.840 687 HB3 PHE 87 HB3 PHE 87 -6.896 -10.008 -7.125 688 HD1 PHE 87 HD1 PHE 87 -6.587 -7.696 -7.836 689 HD2 PHE 87 HD2 PHE 87 -4.436 -10.877 -9.665 690 HE1 PHE 87 HE1 PHE 87 -6.010 -6.222 -9.708 691 HE2 PHE 87 HE2 PHE 87 -3.856 -9.401 -11.546 692 HZ PHE 87 HZ PHE 87 -4.644 -7.070 -11.569 693 H GLN 88 H GLN 88 -4.529 -12.748 -6.002 694 HA GLN 88 HA GLN 88 -1.681 -12.649 -6.187 695 HB2 GLN 88 HB2 GLN 88 -3.019 -14.213 -4.717 696 HB3 GLN 88 HB3 GLN 88 -3.450 -15.088 -6.180 697 HG2 GLN 88 HG2 GLN 88 -1.652 -16.335 -5.612 698 HG3 GLN 88 HG3 GLN 88 -0.797 -15.053 -6.468 699 HE21 GLN 88 HE21 GLN 88 -1.331 -13.131 -4.297 700 HE22 GLN 88 HE22 GLN 88 -0.228 -13.546 -3.038 701 H GLN 89 H GLN 89 -0.686 -12.497 -8.026 702 HA GLN 89 HA GLN 89 -1.772 -13.775 -10.436 703 HB2 GLN 89 HB2 GLN 89 0.098 -11.488 -9.989 704 HB3 GLN 89 HB3 GLN 89 0.157 -12.375 -11.506 705 HG2 GLN 89 HG2 GLN 89 -2.360 -11.170 -10.399 706 HG3 GLN 89 HG3 GLN 89 -1.277 -10.327 -11.505 707 HE21 GLN 89 HE21 GLN 89 -4.077 -11.216 -11.823 708 HE22 GLN 89 HE22 GLN 89 -4.084 -12.194 -13.243 709 H GLN 90 H GLN 90 -0.310 -15.052 -8.200 710 HA GLN 90 HA GLN 90 2.105 -15.996 -9.529 711 HB2 GLN 90 HB2 GLN 90 2.375 -15.408 -7.187 712 HB3 GLN 90 HB3 GLN 90 1.040 -16.455 -6.735 713 HG2 GLN 90 HG2 GLN 90 3.174 -17.458 -6.168 714 HG3 GLN 90 HG3 GLN 90 2.339 -18.417 -7.384 715 HE21 GLN 90 HE21 GLN 90 5.150 -18.353 -6.684 716 HE22 GLN 90 HE22 GLN 90 6.004 -17.932 -8.126 717 H THR 91 H THR 91 2.321 -18.048 -10.256 718 HA THR 91 HA THR 91 -0.108 -19.463 -10.771 719 HB THR 91 HB THR 91 1.562 -21.107 -11.869 720 HG1 THR 91 HG1 THR 91 3.391 -19.082 -12.136 721 HG21 THR 91 HG21 THR 91 0.180 -19.518 -13.120 722 HG22 THR 91 HG22 THR 91 1.792 -19.635 -13.825 723 HG23 THR 91 HG23 THR 91 1.363 -18.246 -12.827 724 H GLY 92 H GLY 92 -0.448 -21.701 -10.276 725 HA2 GLY 92 HA2 GLY 92 -0.465 -23.550 -8.904 726 HA3 GLY 92 HA3 GLY 92 1.131 -23.075 -8.353 727 H GLY 93 H GLY 93 -2.289 -22.187 -7.978 728 HA2 GLY 93 HA2 GLY 93 -3.017 -22.517 -5.574 729 HA3 GLY 93 HA3 GLY 93 -1.659 -21.470 -5.189 Start of MODEL 9 1 H MET 1 H MET 1 24.493 21.512 -7.478 2 HA MET 1 HA MET 1 24.444 24.463 -7.640 3 HB2 MET 1 HB2 MET 1 24.599 24.214 -10.042 4 HB3 MET 1 HB3 MET 1 25.970 23.422 -9.282 5 HG2 MET 1 HG2 MET 1 24.825 21.256 -9.547 6 HG3 MET 1 HG3 MET 1 23.514 22.081 -10.388 7 HE1 MET 1 HE1 MET 1 27.394 22.866 -10.644 8 HE2 MET 1 HE2 MET 1 27.848 21.786 -11.962 9 HE3 MET 1 HE3 MET 1 27.298 21.119 -10.426 10 H ALA 2 H ALA 2 22.688 21.741 -7.086 11 HA ALA 2 HA ALA 2 20.504 21.191 -7.119 12 HB1 ALA 2 HB1 ALA 2 18.896 22.987 -6.805 13 HB2 ALA 2 HB2 ALA 2 20.096 24.167 -7.333 14 HB3 ALA 2 HB3 ALA 2 20.347 23.268 -5.837 15 H ASP 3 H ASP 3 21.192 20.352 -9.365 16 HA ASP 3 HA ASP 3 19.627 21.682 -11.459 17 HB2 ASP 3 HB2 ASP 3 20.855 20.395 -13.064 18 HB3 ASP 3 HB3 ASP 3 22.026 21.061 -11.938 19 H GLU 4 H GLU 4 19.370 19.403 -9.137 20 HA GLU 4 HA GLU 4 17.407 17.779 -10.618 21 HB2 GLU 4 HB2 GLU 4 18.180 16.967 -7.882 22 HB3 GLU 4 HB3 GLU 4 17.975 15.986 -9.323 23 HG2 GLU 4 HG2 GLU 4 20.211 15.723 -8.970 24 HG3 GLU 4 HG3 GLU 4 20.236 17.135 -10.026 25 H LYS 5 H LYS 5 16.904 20.462 -9.703 26 HA LYS 5 HA LYS 5 15.276 20.109 -7.294 27 HB2 LYS 5 HB2 LYS 5 17.094 21.847 -7.300 28 HB3 LYS 5 HB3 LYS 5 16.243 22.666 -8.596 29 HG2 LYS 5 HG2 LYS 5 15.695 23.812 -6.612 30 HG3 LYS 5 HG3 LYS 5 14.274 22.849 -7.022 31 HD2 LYS 5 HD2 LYS 5 14.995 21.134 -5.417 32 HD3 LYS 5 HD3 LYS 5 16.393 22.121 -5.002 33 HE2 LYS 5 HE2 LYS 5 14.888 23.905 -4.231 34 HE3 LYS 5 HE3 LYS 5 13.501 22.892 -4.627 35 HZ1 LYS 5 HZ1 LYS 5 15.597 22.236 -2.627 36 HZ2 LYS 5 HZ2 LYS 5 14.268 21.273 -3.014 37 HZ3 LYS 5 HZ3 LYS 5 14.030 22.768 -2.274 38 HA PRO 6 HA PRO 6 11.831 20.553 -10.125 39 HB2 PRO 6 HB2 PRO 6 9.847 20.298 -8.346 40 HB3 PRO 6 HB3 PRO 6 10.839 18.915 -8.813 41 HG2 PRO 6 HG2 PRO 6 11.014 20.647 -6.385 42 HG3 PRO 6 HG3 PRO 6 11.128 18.881 -6.501 43 HD2 PRO 6 HD2 PRO 6 13.311 20.523 -6.314 44 HD3 PRO 6 HD3 PRO 6 13.344 18.941 -7.120 45 H LYS 7 H LYS 7 9.477 21.803 -9.552 46 HA LYS 7 HA LYS 7 10.280 24.524 -8.783 47 HB2 LYS 7 HB2 LYS 7 8.390 25.154 -10.479 48 HB3 LYS 7 HB3 LYS 7 10.003 24.785 -11.070 49 HG2 LYS 7 HG2 LYS 7 8.533 23.651 -12.516 50 HG3 LYS 7 HG3 LYS 7 9.177 22.427 -11.423 51 HD2 LYS 7 HD2 LYS 7 7.158 22.553 -10.078 52 HD3 LYS 7 HD3 LYS 7 6.483 23.743 -11.199 53 HE2 LYS 7 HE2 LYS 7 5.678 21.428 -11.609 54 HE3 LYS 7 HE3 LYS 7 6.509 22.132 -12.998 55 HZ1 LYS 7 HZ1 LYS 7 7.127 19.789 -12.482 56 HZ2 LYS 7 HZ2 LYS 7 7.817 20.330 -11.033 57 HZ3 LYS 7 HZ3 LYS 7 8.440 20.853 -12.516 58 H GLU 8 H GLU 8 8.667 21.963 -7.837 59 HA GLU 8 HA GLU 8 6.190 23.235 -7.073 60 HB2 GLU 8 HB2 GLU 8 7.223 20.466 -6.472 61 HB3 GLU 8 HB3 GLU 8 5.585 21.028 -6.160 62 HG2 GLU 8 HG2 GLU 8 5.189 19.966 -8.105 63 HG3 GLU 8 HG3 GLU 8 5.740 21.494 -8.792 64 H GLY 9 H GLY 9 8.881 23.954 -6.022 65 HA2 GLY 9 HA2 GLY 9 8.750 23.262 -3.221 66 HA3 GLY 9 HA3 GLY 9 9.944 24.306 -3.982 67 H VAL 10 H VAL 10 6.445 24.281 -3.417 68 HA VAL 10 HA VAL 10 6.645 27.111 -2.631 69 HB VAL 10 HB VAL 10 4.212 25.708 -3.763 70 HG11 VAL 10 HG11 VAL 10 4.738 28.623 -3.190 71 HG12 VAL 10 HG12 VAL 10 3.649 27.562 -2.294 72 HG13 VAL 10 HG13 VAL 10 3.296 27.977 -3.972 73 HG21 VAL 10 HG21 VAL 10 5.967 25.908 -5.457 74 HG22 VAL 10 HG22 VAL 10 6.095 27.636 -5.127 75 HG23 VAL 10 HG23 VAL 10 4.612 26.977 -5.814 76 H LYS 11 H LYS 11 6.177 27.534 -0.588 77 HA LYS 11 HA LYS 11 5.533 25.605 1.298 78 HB2 LYS 11 HB2 LYS 11 6.636 27.695 1.882 79 HB3 LYS 11 HB3 LYS 11 5.185 28.598 1.479 80 HG2 LYS 11 HG2 LYS 11 5.365 28.387 3.863 81 HG3 LYS 11 HG3 LYS 11 3.991 27.440 3.296 82 HD2 LYS 11 HD2 LYS 11 5.401 25.408 3.386 83 HD3 LYS 11 HD3 LYS 11 6.719 26.382 4.039 84 HE2 LYS 11 HE2 LYS 11 4.020 25.917 5.302 85 HE3 LYS 11 HE3 LYS 11 5.556 25.241 5.834 86 HZ1 LYS 11 HZ1 LYS 11 4.922 27.135 7.181 87 HZ2 LYS 11 HZ2 LYS 11 4.836 28.122 5.820 88 HZ3 LYS 11 HZ3 LYS 11 6.324 27.494 6.312 89 H THR 12 H THR 12 3.782 24.438 0.954 90 HA THR 12 HA THR 12 1.168 25.754 0.751 91 HB THR 12 HB THR 12 1.680 24.016 -0.959 92 HG1 THR 12 HG1 THR 12 -0.349 23.396 -0.932 93 HG21 THR 12 HG21 THR 12 1.733 22.115 1.394 94 HG22 THR 12 HG22 THR 12 3.111 22.556 0.387 95 HG23 THR 12 HG23 THR 12 1.769 21.644 -0.306 96 H GLU 13 H GLU 13 -0.399 23.696 1.871 97 HA GLU 13 HA GLU 13 0.243 24.095 4.696 98 HB2 GLU 13 HB2 GLU 13 -2.280 23.047 3.399 99 HB3 GLU 13 HB3 GLU 13 -2.060 23.275 5.125 100 HG2 GLU 13 HG2 GLU 13 -1.595 25.716 4.563 101 HG3 GLU 13 HG3 GLU 13 -2.267 25.346 2.976 102 H ASN 14 H ASN 14 -1.114 21.923 5.798 103 HA ASN 14 HA ASN 14 0.810 19.797 5.247 104 HB2 ASN 14 HB2 ASN 14 0.035 18.866 7.429 105 HB3 ASN 14 HB3 ASN 14 0.699 20.490 7.566 106 HD21 ASN 14 HD21 ASN 14 -0.685 22.212 8.025 107 HD22 ASN 14 HD22 ASN 14 -2.275 21.973 8.658 108 H ASN 15 H ASN 15 -1.722 20.498 3.736 109 HA ASN 15 HA ASN 15 -3.081 17.897 3.917 110 HB2 ASN 15 HB2 ASN 15 -4.957 19.119 2.692 111 HB3 ASN 15 HB3 ASN 15 -4.671 19.601 4.359 112 HD21 ASN 15 HD21 ASN 15 -5.536 21.619 4.145 113 HD22 ASN 15 HD22 ASN 15 -4.796 22.880 3.219 114 H ASP 16 H ASP 16 -0.602 18.462 2.530 115 HA ASP 16 HA ASP 16 -1.210 18.505 -0.310 116 HB2 ASP 16 HB2 ASP 16 1.132 18.647 -0.639 117 HB3 ASP 16 HB3 ASP 16 0.821 19.605 0.808 118 H HIS 17 H HIS 17 -1.206 16.259 2.045 119 HA HIS 17 HA HIS 17 -0.506 14.103 0.184 120 HB2 HIS 17 HB2 HIS 17 0.373 12.804 2.118 121 HB3 HIS 17 HB3 HIS 17 1.301 14.254 1.761 122 HD1 HIS 17 HD1 HIS 17 1.263 16.158 3.505 123 HD2 HIS 17 HD2 HIS 17 -0.953 12.789 4.582 124 HE1 HIS 17 HE1 HIS 17 0.794 16.406 5.962 125 HE2 HIS 17 HE2 HIS 17 -0.747 14.493 6.517 126 H ILE 18 H ILE 18 -1.460 12.026 0.689 127 HA ILE 18 HA ILE 18 -4.060 12.289 2.026 128 HB ILE 18 HB ILE 18 -5.072 10.871 0.221 129 HG12 ILE 18 HG12 ILE 18 -2.606 11.624 -1.360 130 HG13 ILE 18 HG13 ILE 18 -2.873 10.035 -0.655 131 HG21 ILE 18 HG21 ILE 18 -5.477 13.269 0.297 132 HG22 ILE 18 HG22 ILE 18 -5.372 12.711 -1.373 133 HG23 ILE 18 HG23 ILE 18 -4.012 13.561 -0.641 134 HD11 ILE 18 HD11 ILE 18 -3.425 10.046 -3.015 135 HD12 ILE 18 HD12 ILE 18 -4.586 11.350 -2.758 136 HD13 ILE 18 HD13 ILE 18 -4.868 9.761 -2.044 137 H ASN 19 H ASN 19 -5.091 10.070 2.258 138 HA ASN 19 HA ASN 19 -3.047 8.164 3.164 139 HB2 ASN 19 HB2 ASN 19 -4.539 8.939 4.939 140 HB3 ASN 19 HB3 ASN 19 -5.947 8.526 3.971 141 HD21 ASN 19 HD21 ASN 19 -3.379 7.303 5.966 142 HD22 ASN 19 HD22 ASN 19 -4.015 5.714 6.156 143 H LEU 20 H LEU 20 -2.987 6.145 2.322 144 HA LEU 20 HA LEU 20 -5.185 5.382 0.529 145 HB2 LEU 20 HB2 LEU 20 -2.226 5.103 0.003 146 HB3 LEU 20 HB3 LEU 20 -3.428 4.171 -0.861 147 HG LEU 20 HG LEU 20 -2.875 5.928 -2.306 148 HD11 LEU 20 HD11 LEU 20 -5.292 5.581 -2.063 149 HD12 LEU 20 HD12 LEU 20 -4.873 7.224 -2.545 150 HD13 LEU 20 HD13 LEU 20 -5.339 6.889 -0.879 151 HD21 LEU 20 HD21 LEU 20 -2.762 8.263 -1.666 152 HD22 LEU 20 HD22 LEU 20 -1.644 7.292 -0.705 153 HD23 LEU 20 HD23 LEU 20 -3.167 7.838 -0.001 154 H LYS 21 H LYS 21 -5.892 3.350 0.715 155 HA LYS 21 HA LYS 21 -4.422 1.631 2.585 156 HB2 LYS 21 HB2 LYS 21 -7.413 1.823 2.216 157 HB3 LYS 21 HB3 LYS 21 -6.577 0.744 3.325 158 HG2 LYS 21 HG2 LYS 21 -5.660 2.727 4.493 159 HG3 LYS 21 HG3 LYS 21 -6.635 3.748 3.438 160 HD2 LYS 21 HD2 LYS 21 -7.760 1.614 5.252 161 HD3 LYS 21 HD3 LYS 21 -7.687 3.331 5.649 162 HE2 LYS 21 HE2 LYS 21 -9.128 3.865 3.783 163 HE3 LYS 21 HE3 LYS 21 -9.123 2.187 3.253 164 HZ1 LYS 21 HZ1 LYS 21 -11.137 2.677 4.441 165 HZ2 LYS 21 HZ2 LYS 21 -10.274 3.217 5.787 166 HZ3 LYS 21 HZ3 LYS 21 -10.215 1.587 5.339 167 H VAL 22 H VAL 22 -4.384 -0.545 2.112 168 HA VAL 22 HA VAL 22 -5.258 -1.250 -0.603 169 HB VAL 22 HB VAL 22 -2.853 -0.948 -0.651 170 HG11 VAL 22 HG11 VAL 22 -1.339 -1.933 0.782 171 HG12 VAL 22 HG12 VAL 22 -2.584 -2.938 1.526 172 HG13 VAL 22 HG13 VAL 22 -2.590 -1.192 1.785 173 HG21 VAL 22 HG21 VAL 22 -2.099 -3.182 -1.282 174 HG22 VAL 22 HG22 VAL 22 -3.686 -2.810 -1.953 175 HG23 VAL 22 HG23 VAL 22 -3.547 -3.868 -0.548 176 H ALA 23 H ALA 23 -6.356 -3.126 -0.805 177 HA ALA 23 HA ALA 23 -6.499 -4.872 1.567 178 HB1 ALA 23 HB1 ALA 23 -8.585 -3.637 1.233 179 HB2 ALA 23 HB2 ALA 23 -8.813 -5.363 0.955 180 HB3 ALA 23 HB3 ALA 23 -8.694 -4.259 -0.414 181 H GLY 24 H GLY 24 -5.944 -6.882 1.220 182 HA2 GLY 24 HA2 GLY 24 -5.513 -7.777 -1.549 183 HA3 GLY 24 HA3 GLY 24 -4.707 -8.446 -0.134 184 H GLN 25 H GLN 25 -6.303 -9.679 -2.311 185 HA GLN 25 HA GLN 25 -8.761 -10.610 -1.536 186 HB2 GLN 25 HB2 GLN 25 -7.940 -12.795 -2.786 187 HB3 GLN 25 HB3 GLN 25 -8.283 -11.306 -3.642 188 HG2 GLN 25 HG2 GLN 25 -6.226 -12.329 -4.449 189 HG3 GLN 25 HG3 GLN 25 -5.917 -10.767 -3.697 190 HE21 GLN 25 HE21 GLN 25 -4.633 -10.651 -1.910 191 HE22 GLN 25 HE22 GLN 25 -3.779 -11.989 -1.244 192 H ASP 26 H ASP 26 -5.723 -11.477 -0.107 193 HA ASP 26 HA ASP 26 -6.632 -13.920 1.066 194 HB2 ASP 26 HB2 ASP 26 -4.528 -13.822 2.357 195 HB3 ASP 26 HB3 ASP 26 -4.257 -13.584 0.634 196 H GLY 27 H GLY 27 -6.912 -10.617 1.829 197 HA2 GLY 27 HA2 GLY 27 -8.745 -10.012 3.304 198 HA3 GLY 27 HA3 GLY 27 -8.316 -11.393 4.304 199 H SER 28 H SER 28 -5.871 -9.341 2.961 200 HA SER 28 HA SER 28 -5.325 -8.305 5.645 201 HB2 SER 28 HB2 SER 28 -3.497 -8.800 3.291 202 HB3 SER 28 HB3 SER 28 -2.994 -8.077 4.812 203 HG SER 28 HG SER 28 -3.451 -10.690 4.164 204 H VAL 29 H VAL 29 -4.807 -6.083 5.875 205 HA VAL 29 HA VAL 29 -4.966 -4.399 3.511 206 HB VAL 29 HB VAL 29 -7.266 -4.407 4.074 207 HG11 VAL 29 HG11 VAL 29 -8.128 -3.922 6.307 208 HG12 VAL 29 HG12 VAL 29 -6.475 -3.887 6.926 209 HG13 VAL 29 HG13 VAL 29 -7.141 -5.382 6.262 210 HG21 VAL 29 HG21 VAL 29 -6.042 -1.924 5.276 211 HG22 VAL 29 HG22 VAL 29 -7.723 -2.088 4.766 212 HG23 VAL 29 HG23 VAL 29 -6.426 -2.183 3.574 213 H VAL 30 H VAL 30 -3.658 -2.677 3.595 214 HA VAL 30 HA VAL 30 -2.505 -1.952 6.214 215 HB VAL 30 HB VAL 30 -0.954 -1.705 3.655 216 HG11 VAL 30 HG11 VAL 30 -0.102 -1.949 6.538 217 HG12 VAL 30 HG12 VAL 30 -0.194 -0.452 5.611 218 HG13 VAL 30 HG13 VAL 30 0.964 -1.699 5.155 219 HG21 VAL 30 HG21 VAL 30 0.145 -3.839 4.155 220 HG22 VAL 30 HG22 VAL 30 -1.570 -4.040 3.812 221 HG23 VAL 30 HG23 VAL 30 -0.991 -4.107 5.479 222 H GLN 31 H GLN 31 -2.345 0.228 6.647 223 HA GLN 31 HA GLN 31 -3.431 2.010 4.586 224 HB2 GLN 31 HB2 GLN 31 -3.268 2.488 7.569 225 HB3 GLN 31 HB3 GLN 31 -4.077 3.509 6.395 226 HG2 GLN 31 HG2 GLN 31 -5.879 2.393 7.242 227 HG3 GLN 31 HG3 GLN 31 -5.444 1.303 5.930 228 HE21 GLN 31 HE21 GLN 31 -4.712 -0.716 6.388 229 HE22 GLN 31 HE22 GLN 31 -4.673 -1.391 7.973 230 H PHE 32 H PHE 32 -2.391 3.928 4.043 231 HA PHE 32 HA PHE 32 0.287 4.378 5.199 232 HB2 PHE 32 HB2 PHE 32 -0.232 4.471 2.233 233 HB3 PHE 32 HB3 PHE 32 1.315 4.600 3.057 234 HD1 PHE 32 HD1 PHE 32 -1.416 2.324 2.148 235 HD2 PHE 32 HD2 PHE 32 2.541 2.663 3.676 236 HE1 PHE 32 HE1 PHE 32 -1.105 -0.076 1.869 237 HE2 PHE 32 HE2 PHE 32 2.851 0.237 3.403 238 HZ PHE 32 HZ PHE 32 1.010 -1.137 2.497 239 HH31 ALY 33 HH31 ALY 33 -5.883 11.305 5.079 240 HH32 ALY 33 HH32 ALY 33 -6.149 12.436 6.422 241 HH33 ALY 33 HH33 ALY 33 -7.314 11.133 6.090 242 HZ ALY 33 HZ ALY 33 -3.872 11.641 7.019 243 HE3 ALY 33 HE3 ALY 33 -2.860 9.803 8.348 244 HE2 ALY 33 HE2 ALY 33 -3.692 8.710 7.241 245 HD3 ALY 33 HD3 ALY 33 -2.372 9.500 5.396 246 HD2 ALY 33 HD2 ALY 33 -1.639 10.746 6.407 247 HG3 ALY 33 HG3 ALY 33 -0.675 8.960 7.830 248 HG2 ALY 33 HG2 ALY 33 -1.321 7.765 6.702 249 HB3 ALY 33 HB3 ALY 33 0.458 9.994 5.799 250 HB2 ALY 33 HB2 ALY 33 1.115 8.495 6.438 251 HCA ALY 33 HCA ALY 33 -0.813 8.540 4.115 252 H ALY 33 H ALY 33 1.100 6.472 4.985 253 H ILE 34 H ILE 34 -0.046 9.121 2.129 254 HA ILE 34 HA ILE 34 2.800 9.843 1.961 255 HB ILE 34 HB ILE 34 3.059 8.839 -0.222 256 HG12 ILE 34 HG12 ILE 34 0.211 7.847 0.066 257 HG13 ILE 34 HG13 ILE 34 0.733 9.144 -1.004 258 HG21 ILE 34 HG21 ILE 34 1.872 6.856 1.714 259 HG22 ILE 34 HG22 ILE 34 3.546 7.412 1.691 260 HG23 ILE 34 HG23 ILE 34 2.914 6.457 0.347 261 HD11 ILE 34 HD11 ILE 34 1.602 6.267 -1.176 262 HD12 ILE 34 HD12 ILE 34 2.102 7.566 -2.258 263 HD13 ILE 34 HD13 ILE 34 0.413 7.057 -2.211 264 H LYS 35 H LYS 35 3.277 11.238 0.086 265 HA LYS 35 HA LYS 35 1.310 13.298 -0.132 266 HB2 LYS 35 HB2 LYS 35 3.919 12.996 -1.633 267 HB3 LYS 35 HB3 LYS 35 2.948 14.452 -1.531 268 HG2 LYS 35 HG2 LYS 35 3.333 14.452 0.931 269 HG3 LYS 35 HG3 LYS 35 4.451 13.107 0.699 270 HD2 LYS 35 HD2 LYS 35 4.709 15.740 -0.722 271 HD3 LYS 35 HD3 LYS 35 5.504 15.401 0.815 272 HE2 LYS 35 HE2 LYS 35 5.879 13.803 -1.718 273 HE3 LYS 35 HE3 LYS 35 6.948 15.098 -1.191 274 HZ1 LYS 35 HZ1 LYS 35 7.833 12.973 -0.564 275 HZ2 LYS 35 HZ2 LYS 35 6.420 12.571 0.271 276 HZ3 LYS 35 HZ3 LYS 35 7.401 13.833 0.825 277 H ARG 36 H ARG 36 0.190 13.964 -2.005 278 HA ARG 36 HA ARG 36 -0.660 11.847 -3.713 279 HB2 ARG 36 HB2 ARG 36 -2.002 13.574 -4.816 280 HB3 ARG 36 HB3 ARG 36 -2.175 13.640 -3.068 281 HG2 ARG 36 HG2 ARG 36 -1.174 15.665 -2.906 282 HG3 ARG 36 HG3 ARG 36 -0.091 15.359 -4.266 283 HD2 ARG 36 HD2 ARG 36 -1.966 15.599 -5.783 284 HD3 ARG 36 HD3 ARG 36 -3.027 16.001 -4.430 285 HE ARG 36 HE ARG 36 -0.814 17.728 -4.420 286 HH11 ARG 36 HH11 ARG 36 -3.684 17.082 -6.336 287 HH12 ARG 36 HH12 ARG 36 -3.818 18.698 -6.931 288 HH21 ARG 36 HH21 ARG 36 -0.977 19.885 -5.219 289 HH22 ARG 36 HH22 ARG 36 -2.271 20.305 -6.282 290 H HIS 37 H HIS 37 1.991 13.882 -3.751 291 HA HIS 37 HA HIS 37 2.269 13.904 -6.659 292 HB2 HIS 37 HB2 HIS 37 2.465 16.070 -5.534 293 HB3 HIS 37 HB3 HIS 37 3.662 15.427 -4.433 294 HD1 HIS 37 HD1 HIS 37 6.084 15.242 -5.312 295 HD2 HIS 37 HD2 HIS 37 3.404 16.772 -8.088 296 HE1 HIS 37 HE1 HIS 37 7.496 16.260 -7.111 297 HE2 HIS 37 HE2 HIS 37 5.864 17.382 -8.649 298 H THR 38 H THR 38 2.983 12.148 -3.978 299 HA THR 38 HA THR 38 5.629 11.253 -4.765 300 HB THR 38 HB THR 38 3.973 11.225 -2.304 301 HG1 THR 38 HG1 THR 38 6.688 11.045 -2.073 302 HG21 THR 38 HG21 THR 38 5.952 8.988 -2.804 303 HG22 THR 38 HG22 THR 38 4.203 8.802 -2.687 304 HG23 THR 38 HG23 THR 38 5.127 9.332 -1.281 305 HA PRO 39 HA PRO 39 3.987 7.770 -6.971 306 HB2 PRO 39 HB2 PRO 39 6.016 5.965 -6.555 307 HB3 PRO 39 HB3 PRO 39 6.079 7.262 -7.751 308 HG2 PRO 39 HG2 PRO 39 7.262 7.152 -5.008 309 HG3 PRO 39 HG3 PRO 39 7.955 7.808 -6.503 310 HD2 PRO 39 HD2 PRO 39 6.901 9.380 -4.595 311 HD3 PRO 39 HD3 PRO 39 6.785 9.793 -6.321 312 H LEU 40 H LEU 40 2.478 6.348 -6.389 313 HA LEU 40 HA LEU 40 2.112 5.569 -3.681 314 HB2 LEU 40 HB2 LEU 40 0.131 4.559 -4.334 315 HB3 LEU 40 HB3 LEU 40 0.295 5.910 -5.424 316 HG LEU 40 HG LEU 40 0.705 2.989 -6.053 317 HD11 LEU 40 HD11 LEU 40 -1.323 5.004 -6.941 318 HD12 LEU 40 HD12 LEU 40 -1.586 3.571 -5.943 319 HD13 LEU 40 HD13 LEU 40 -1.137 3.397 -7.639 320 HD21 LEU 40 HD21 LEU 40 1.056 3.705 -8.396 321 HD22 LEU 40 HD22 LEU 40 2.367 4.141 -7.311 322 HD23 LEU 40 HD23 LEU 40 1.201 5.370 -7.823 323 H SER 41 H SER 41 3.870 4.333 -6.232 324 HA SER 41 HA SER 41 3.993 1.617 -5.949 325 HB2 SER 41 HB2 SER 41 6.537 3.066 -6.316 326 HB3 SER 41 HB3 SER 41 5.776 1.832 -7.330 327 HG SER 41 HG SER 41 5.644 3.785 -8.415 328 H LYS 42 H LYS 42 5.295 4.095 -3.885 329 HA LYS 42 HA LYS 42 7.174 2.548 -2.464 330 HB2 LYS 42 HB2 LYS 42 5.582 4.910 -1.454 331 HB3 LYS 42 HB3 LYS 42 7.088 4.299 -0.787 332 HG2 LYS 42 HG2 LYS 42 8.245 4.889 -2.867 333 HG3 LYS 42 HG3 LYS 42 6.733 5.527 -3.513 334 HD2 LYS 42 HD2 LYS 42 8.048 7.356 -2.675 335 HD3 LYS 42 HD3 LYS 42 6.658 7.123 -1.612 336 HE2 LYS 42 HE2 LYS 42 8.068 5.879 -0.045 337 HE3 LYS 42 HE3 LYS 42 9.445 6.100 -1.122 338 HZ1 LYS 42 HZ1 LYS 42 9.398 7.668 0.740 339 HZ2 LYS 42 HZ2 LYS 42 7.944 8.307 0.159 340 HZ3 LYS 42 HZ3 LYS 42 9.356 8.443 -0.761 341 H LEU 43 H LEU 43 3.751 3.251 -1.919 342 HA LEU 43 HA LEU 43 3.616 1.665 0.454 343 HB2 LEU 43 HB2 LEU 43 1.348 2.179 0.585 344 HB3 LEU 43 HB3 LEU 43 2.018 3.573 -0.228 345 HG LEU 43 HG LEU 43 1.254 2.310 -2.404 346 HD11 LEU 43 HD11 LEU 43 -0.597 1.122 -0.334 347 HD12 LEU 43 HD12 LEU 43 0.578 0.236 -1.304 348 HD13 LEU 43 HD13 LEU 43 -0.800 1.015 -2.085 349 HD21 LEU 43 HD21 LEU 43 0.398 4.465 -1.663 350 HD22 LEU 43 HD22 LEU 43 -0.684 3.647 -0.533 351 HD23 LEU 43 HD23 LEU 43 -0.907 3.442 -2.269 352 H MET 44 H MET 44 2.940 1.102 -2.965 353 HA MET 44 HA MET 44 1.731 -1.407 -2.681 354 HB2 MET 44 HB2 MET 44 3.411 -0.381 -4.974 355 HB3 MET 44 HB3 MET 44 2.404 -1.818 -5.031 356 HG2 MET 44 HG2 MET 44 0.470 -0.267 -4.423 357 HG3 MET 44 HG3 MET 44 1.565 1.047 -4.846 358 HE1 MET 44 HE1 MET 44 2.344 0.133 -8.624 359 HE2 MET 44 HE2 MET 44 3.253 -0.316 -7.181 360 HE3 MET 44 HE3 MET 44 2.625 1.324 -7.357 361 H LYS 45 H LYS 45 5.156 -0.597 -3.226 362 HA LYS 45 HA LYS 45 5.975 -3.307 -3.136 363 HB2 LYS 45 HB2 LYS 45 7.587 -0.792 -2.723 364 HB3 LYS 45 HB3 LYS 45 8.265 -2.401 -2.932 365 HG2 LYS 45 HG2 LYS 45 7.096 -2.494 -5.157 366 HG3 LYS 45 HG3 LYS 45 6.713 -0.786 -4.945 367 HD2 LYS 45 HD2 LYS 45 8.676 -0.940 -6.294 368 HD3 LYS 45 HD3 LYS 45 9.171 -0.365 -4.702 369 HE2 LYS 45 HE2 LYS 45 9.877 -2.623 -4.099 370 HE3 LYS 45 HE3 LYS 45 9.338 -3.220 -5.668 371 HZ1 LYS 45 HZ1 LYS 45 11.487 -1.214 -5.230 372 HZ2 LYS 45 HZ2 LYS 45 10.987 -1.818 -6.728 373 HZ3 LYS 45 HZ3 LYS 45 11.727 -2.844 -5.608 374 H ALA 46 H ALA 46 5.624 -0.808 -0.696 375 HA ALA 46 HA ALA 46 6.965 -2.169 1.382 376 HB1 ALA 46 HB1 ALA 46 6.387 0.217 1.499 377 HB2 ALA 46 HB2 ALA 46 5.777 -0.673 2.895 378 HB3 ALA 46 HB3 ALA 46 4.678 -0.207 1.596 379 H TYR 47 H TYR 47 3.654 -2.233 0.194 380 HA TYR 47 HA TYR 47 2.439 -3.761 2.164 381 HB2 TYR 47 HB2 TYR 47 1.140 -2.700 0.427 382 HB3 TYR 47 HB3 TYR 47 1.940 -3.652 -0.814 383 HD1 TYR 47 HD1 TYR 47 -0.572 -3.681 1.834 384 HD2 TYR 47 HD2 TYR 47 1.297 -5.966 -1.209 385 HE1 TYR 47 HE1 TYR 47 -2.369 -5.340 1.998 386 HE2 TYR 47 HE2 TYR 47 -0.493 -7.646 -1.070 387 HH TYR 47 HH TYR 47 -2.185 -8.419 0.653 388 H CYS 48 H CYS 48 3.901 -4.922 -0.890 389 HA CYS 48 HA CYS 48 3.502 -7.621 -0.266 390 HB2 CYS 48 HB2 CYS 48 5.071 -8.085 -2.125 391 HB3 CYS 48 HB3 CYS 48 3.812 -6.941 -2.557 392 HG CYS 48 HG CYS 48 6.368 -5.185 -1.539 393 H GLU 49 H GLU 49 6.202 -5.446 0.367 394 HA GLU 49 HA GLU 49 7.997 -7.461 1.197 395 HB2 GLU 49 HB2 GLU 49 7.924 -4.501 1.761 396 HB3 GLU 49 HB3 GLU 49 9.244 -5.553 2.264 397 HG2 GLU 49 HG2 GLU 49 9.576 -6.155 -0.133 398 HG3 GLU 49 HG3 GLU 49 8.362 -4.949 -0.550 399 H ARG 50 H ARG 50 5.573 -5.564 2.938 400 HA ARG 50 HA ARG 50 6.454 -6.635 5.481 401 HB2 ARG 50 HB2 ARG 50 4.682 -5.306 6.488 402 HB3 ARG 50 HB3 ARG 50 5.591 -4.327 5.349 403 HG2 ARG 50 HG2 ARG 50 3.836 -4.519 3.709 404 HG3 ARG 50 HG3 ARG 50 2.942 -5.622 4.747 405 HD2 ARG 50 HD2 ARG 50 3.555 -2.725 5.343 406 HD3 ARG 50 HD3 ARG 50 2.015 -3.381 4.828 407 HE ARG 50 HE ARG 50 2.183 -4.751 6.983 408 HH11 ARG 50 HH11 ARG 50 3.537 -1.527 6.650 409 HH12 ARG 50 HH12 ARG 50 3.247 -1.101 8.298 410 HH21 ARG 50 HH21 ARG 50 1.810 -4.204 9.147 411 HH22 ARG 50 HH22 ARG 50 2.246 -2.639 9.738 412 H GLN 51 H GLN 51 3.811 -7.200 3.209 413 HA GLN 51 HA GLN 51 2.348 -8.895 5.001 414 HB2 GLN 51 HB2 GLN 51 2.061 -8.426 2.043 415 HB3 GLN 51 HB3 GLN 51 0.924 -9.352 3.027 416 HG2 GLN 51 HG2 GLN 51 1.629 -6.458 3.313 417 HG3 GLN 51 HG3 GLN 51 0.143 -7.103 2.626 418 HE21 GLN 51 HE21 GLN 51 1.995 -6.710 5.573 419 HE22 GLN 51 HE22 GLN 51 0.683 -6.929 6.665 420 H GLY 52 H GLY 52 4.883 -9.372 2.782 421 HA2 GLY 52 HA2 GLY 52 6.174 -11.361 2.683 422 HA3 GLY 52 HA3 GLY 52 4.809 -12.237 3.370 423 H LEU 53 H LEU 53 4.789 -10.032 0.652 424 HA LEU 53 HA LEU 53 4.026 -12.261 -1.100 425 HB2 LEU 53 HB2 LEU 53 2.758 -9.551 -0.848 426 HB3 LEU 53 HB3 LEU 53 2.648 -10.464 -2.336 427 HG LEU 53 HG LEU 53 0.640 -10.757 -1.131 428 HD11 LEU 53 HD11 LEU 53 2.293 -13.247 -0.818 429 HD12 LEU 53 HD12 LEU 53 1.459 -12.730 -2.284 430 HD13 LEU 53 HD13 LEU 53 0.532 -13.168 -0.849 431 HD21 LEU 53 HD21 LEU 53 2.280 -11.660 1.218 432 HD22 LEU 53 HD22 LEU 53 0.519 -11.714 1.113 433 HD23 LEU 53 HD23 LEU 53 1.357 -10.162 1.090 434 H SER 54 H SER 54 4.450 -11.761 -3.427 435 HA SER 54 HA SER 54 6.757 -9.948 -3.681 436 HB2 SER 54 HB2 SER 54 6.142 -12.404 -5.329 437 HB3 SER 54 HB3 SER 54 7.596 -11.432 -5.406 438 HG SER 54 HG SER 54 7.453 -12.111 -2.917 439 H MET 55 H MET 55 6.927 -8.714 -5.646 440 HA MET 55 HA MET 55 4.515 -7.739 -6.710 441 HB2 MET 55 HB2 MET 55 7.396 -7.396 -7.430 442 HB3 MET 55 HB3 MET 55 6.160 -6.824 -8.548 443 HG2 MET 55 HG2 MET 55 6.452 -6.043 -5.669 444 HG3 MET 55 HG3 MET 55 6.897 -5.063 -7.070 445 HE1 MET 55 HE1 MET 55 3.636 -3.517 -5.364 446 HE2 MET 55 HE2 MET 55 5.351 -3.241 -5.693 447 HE3 MET 55 HE3 MET 55 4.857 -4.497 -4.553 448 H ARG 56 H ARG 56 6.531 -10.348 -7.649 449 HA ARG 56 HA ARG 56 5.227 -10.661 -10.194 450 HB2 ARG 56 HB2 ARG 56 6.610 -12.772 -10.376 451 HB3 ARG 56 HB3 ARG 56 7.512 -11.274 -10.281 452 HG2 ARG 56 HG2 ARG 56 7.033 -12.893 -7.827 453 HG3 ARG 56 HG3 ARG 56 8.288 -13.366 -8.974 454 HD2 ARG 56 HD2 ARG 56 8.075 -10.821 -7.377 455 HD3 ARG 56 HD3 ARG 56 9.339 -12.034 -7.320 456 HE ARG 56 HE ARG 56 8.896 -10.264 -9.639 457 HH11 ARG 56 HH11 ARG 56 11.062 -12.005 -7.487 458 HH12 ARG 56 HH12 ARG 56 12.493 -11.295 -8.138 459 HH21 ARG 56 HH21 ARG 56 10.806 -9.321 -10.510 460 HH22 ARG 56 HH22 ARG 56 12.346 -9.763 -9.866 461 H GLN 57 H GLN 57 4.715 -11.578 -7.015 462 HA GLN 57 HA GLN 57 3.108 -13.928 -7.654 463 HB2 GLN 57 HB2 GLN 57 4.301 -12.781 -5.213 464 HB3 GLN 57 HB3 GLN 57 2.760 -13.593 -4.997 465 HG2 GLN 57 HG2 GLN 57 4.882 -14.956 -4.671 466 HG3 GLN 57 HG3 GLN 57 3.608 -15.650 -5.670 467 HE21 GLN 57 HE21 GLN 57 6.710 -14.073 -5.703 468 HE22 GLN 57 HE22 GLN 57 7.201 -14.657 -7.256 469 H ILE 58 H ILE 58 2.694 -10.575 -6.809 470 HA ILE 58 HA ILE 58 -0.223 -11.008 -6.925 471 HB ILE 58 HB ILE 58 -0.630 -9.352 -5.237 472 HG12 ILE 58 HG12 ILE 58 2.370 -8.940 -5.199 473 HG13 ILE 58 HG13 ILE 58 1.144 -7.790 -5.722 474 HG21 ILE 58 HG21 ILE 58 -0.208 -11.609 -4.437 475 HG22 ILE 58 HG22 ILE 58 0.335 -10.409 -3.265 476 HG23 ILE 58 HG23 ILE 58 1.511 -11.242 -4.282 477 HD11 ILE 58 HD11 ILE 58 1.499 -8.798 -2.912 478 HD12 ILE 58 HD12 ILE 58 0.311 -7.614 -3.454 479 HD13 ILE 58 HD13 ILE 58 2.030 -7.234 -3.526 480 H ARG 59 H ARG 59 -1.252 -8.668 -7.038 481 HA ARG 59 HA ARG 59 0.203 -6.763 -8.552 482 HB2 ARG 59 HB2 ARG 59 -1.521 -8.671 -9.964 483 HB3 ARG 59 HB3 ARG 59 -1.850 -6.986 -10.346 484 HG2 ARG 59 HG2 ARG 59 0.831 -8.347 -10.558 485 HG3 ARG 59 HG3 ARG 59 -0.244 -7.950 -11.904 486 HD2 ARG 59 HD2 ARG 59 -0.038 -5.599 -11.431 487 HD3 ARG 59 HD3 ARG 59 0.907 -5.918 -9.994 488 HE ARG 59 HE ARG 59 2.326 -7.098 -12.001 489 HH11 ARG 59 HH11 ARG 59 1.132 -3.832 -11.440 490 HH12 ARG 59 HH12 ARG 59 2.484 -3.077 -12.199 491 HH21 ARG 59 HH21 ARG 59 4.113 -6.086 -12.991 492 HH22 ARG 59 HH22 ARG 59 4.193 -4.359 -13.079 493 H PHE 60 H PHE 60 -0.745 -4.776 -8.628 494 HA PHE 60 HA PHE 60 -3.012 -4.462 -6.808 495 HB2 PHE 60 HB2 PHE 60 -0.907 -2.487 -7.728 496 HB3 PHE 60 HB3 PHE 60 -2.224 -2.110 -6.625 497 HD1 PHE 60 HD1 PHE 60 0.616 -4.512 -6.988 498 HD2 PHE 60 HD2 PHE 60 -1.834 -2.237 -4.362 499 HE1 PHE 60 HE1 PHE 60 2.002 -5.219 -5.087 500 HE2 PHE 60 HE2 PHE 60 -0.455 -2.938 -2.458 501 HZ PHE 60 HZ PHE 60 1.465 -4.437 -2.817 502 H ARG 61 H ARG 61 -4.777 -3.200 -7.348 503 HA ARG 61 HA ARG 61 -5.005 -2.226 -10.104 504 HB2 ARG 61 HB2 ARG 61 -5.791 -4.531 -10.035 505 HB3 ARG 61 HB3 ARG 61 -6.936 -4.104 -8.769 506 HG2 ARG 61 HG2 ARG 61 -7.585 -2.325 -10.706 507 HG3 ARG 61 HG3 ARG 61 -7.062 -3.714 -11.666 508 HD2 ARG 61 HD2 ARG 61 -8.526 -5.054 -10.001 509 HD3 ARG 61 HD3 ARG 61 -9.271 -3.476 -9.702 510 HE ARG 61 HE ARG 61 -9.188 -3.836 -12.446 511 HH11 ARG 61 HH11 ARG 61 -10.786 -5.315 -9.692 512 HH12 ARG 61 HH12 ARG 61 -12.153 -5.848 -10.611 513 HH21 ARG 61 HH21 ARG 61 -11.006 -4.551 -13.667 514 HH22 ARG 61 HH22 ARG 61 -12.273 -5.424 -12.874 515 H PHE 62 H PHE 62 -6.522 -0.574 -10.356 516 HA PHE 62 HA PHE 62 -8.227 0.174 -8.151 517 HB2 PHE 62 HB2 PHE 62 -6.108 1.260 -7.601 518 HB3 PHE 62 HB3 PHE 62 -6.102 2.071 -9.163 519 HD1 PHE 62 HD1 PHE 62 -7.767 1.847 -5.893 520 HD2 PHE 62 HD2 PHE 62 -7.431 4.021 -9.531 521 HE1 PHE 62 HE1 PHE 62 -9.048 3.699 -4.903 522 HE2 PHE 62 HE2 PHE 62 -8.712 5.875 -8.550 523 HZ PHE 62 HZ PHE 62 -9.520 5.719 -6.231 524 H ASP 63 H ASP 63 -9.878 1.454 -8.779 525 HA ASP 63 HA ASP 63 -11.590 2.112 -10.192 526 HB2 ASP 63 HB2 ASP 63 -9.574 3.770 -10.619 527 HB3 ASP 63 HB3 ASP 63 -9.616 3.046 -12.208 528 H GLY 64 H GLY 64 -10.300 -0.537 -10.644 529 HA2 GLY 64 HA2 GLY 64 -10.995 -2.245 -12.019 530 HA3 GLY 64 HA3 GLY 64 -11.559 -1.081 -13.204 531 H GLN 65 H GLN 65 -8.867 0.265 -12.908 532 HA GLN 65 HA GLN 65 -7.541 -1.356 -14.954 533 HB2 GLN 65 HB2 GLN 65 -6.130 0.710 -15.296 534 HB3 GLN 65 HB3 GLN 65 -7.845 0.909 -15.625 535 HG2 GLN 65 HG2 GLN 65 -8.172 2.018 -13.529 536 HG3 GLN 65 HG3 GLN 65 -6.502 1.711 -13.064 537 HE21 GLN 65 HE21 GLN 65 -6.157 3.876 -12.776 538 HE22 GLN 65 HE22 GLN 65 -5.964 4.981 -14.083 539 HA PRO 66 HA PRO 66 -4.332 -2.710 -12.237 540 HB2 PRO 66 HB2 PRO 66 -2.289 -3.056 -13.977 541 HB3 PRO 66 HB3 PRO 66 -3.693 -4.130 -13.944 542 HG2 PRO 66 HG2 PRO 66 -3.095 -1.850 -15.790 543 HG3 PRO 66 HG3 PRO 66 -3.763 -3.449 -16.167 544 HD2 PRO 66 HD2 PRO 66 -5.302 -1.214 -15.927 545 HD3 PRO 66 HD3 PRO 66 -5.893 -2.842 -15.541 546 H ILE 67 H ILE 67 -2.687 -1.845 -11.010 547 HA ILE 67 HA ILE 67 -1.931 0.900 -11.660 548 HB ILE 67 HB ILE 67 -1.307 -0.665 -9.149 549 HG12 ILE 67 HG12 ILE 67 -3.599 1.243 -9.676 550 HG13 ILE 67 HG13 ILE 67 -3.738 -0.496 -9.453 551 HG21 ILE 67 HG21 ILE 67 -0.898 1.506 -8.158 552 HG22 ILE 67 HG22 ILE 67 -1.319 2.306 -9.673 553 HG23 ILE 67 HG23 ILE 67 0.121 1.290 -9.581 554 HD11 ILE 67 HD11 ILE 67 -2.859 1.524 -7.407 555 HD12 ILE 67 HD12 ILE 67 -2.821 -0.220 -7.168 556 HD13 ILE 67 HD13 ILE 67 -4.358 0.597 -7.422 557 H ASN 68 H ASN 68 0.194 1.560 -11.940 558 HA ASN 68 HA ASN 68 2.167 -0.601 -12.202 559 HB2 ASN 68 HB2 ASN 68 2.780 1.952 -13.536 560 HB3 ASN 68 HB3 ASN 68 2.970 0.308 -14.122 561 HD21 ASN 68 HD21 ASN 68 0.948 3.073 -13.959 562 HD22 ASN 68 HD22 ASN 68 -0.228 2.531 -15.083 563 H GLU 69 H GLU 69 4.335 -0.002 -11.618 564 HA GLU 69 HA GLU 69 4.395 1.568 -9.228 565 HB2 GLU 69 HB2 GLU 69 6.782 0.984 -9.185 566 HB3 GLU 69 HB3 GLU 69 5.787 -0.434 -9.492 567 HG2 GLU 69 HG2 GLU 69 6.291 -0.270 -11.877 568 HG3 GLU 69 HG3 GLU 69 7.292 1.144 -11.566 569 H THR 70 H THR 70 4.740 2.295 -12.527 570 HA THR 70 HA THR 70 6.279 4.679 -12.011 571 HB THR 70 HB THR 70 5.928 4.976 -14.531 572 HG1 THR 70 HG1 THR 70 4.388 3.616 -15.173 573 HG21 THR 70 HG21 THR 70 7.651 3.284 -15.019 574 HG22 THR 70 HG22 THR 70 7.330 2.531 -13.454 575 HG23 THR 70 HG23 THR 70 8.001 4.158 -13.527 576 H ASP 71 H ASP 71 3.161 4.013 -11.429 577 HA ASP 71 HA ASP 71 2.130 6.497 -12.569 578 HB2 ASP 71 HB2 ASP 71 1.008 3.936 -12.125 579 HB3 ASP 71 HB3 ASP 71 0.156 5.063 -11.070 580 H THR 72 H THR 72 0.836 7.893 -11.180 581 HA THR 72 HA THR 72 1.721 7.854 -8.368 582 HB THR 72 HB THR 72 0.876 10.376 -8.649 583 HG1 THR 72 HG1 THR 72 1.901 10.881 -10.889 584 HG21 THR 72 HG21 THR 72 3.067 9.781 -7.862 585 HG22 THR 72 HG22 THR 72 3.226 11.013 -9.115 586 HG23 THR 72 HG23 THR 72 3.578 9.323 -9.489 587 HA PRO 73 HA PRO 73 -2.408 7.443 -6.886 588 HB2 PRO 73 HB2 PRO 73 -2.438 9.319 -4.863 589 HB3 PRO 73 HB3 PRO 73 -1.722 7.713 -4.715 590 HG2 PRO 73 HG2 PRO 73 -0.388 10.332 -5.297 591 HG3 PRO 73 HG3 PRO 73 0.144 9.011 -4.238 592 HD2 PRO 73 HD2 PRO 73 1.176 9.398 -6.662 593 HD3 PRO 73 HD3 PRO 73 0.935 7.762 -6.012 594 H ALA 74 H ALA 74 -1.248 10.721 -7.466 595 HA ALA 74 HA ALA 74 -3.852 11.879 -7.585 596 HB1 ALA 74 HB1 ALA 74 -1.900 13.187 -6.945 597 HB2 ALA 74 HB2 ALA 74 -2.691 13.885 -8.363 598 HB3 ALA 74 HB3 ALA 74 -1.206 12.945 -8.547 599 H GLN 75 H GLN 75 -2.112 9.947 -9.729 600 HA GLN 75 HA GLN 75 -3.027 11.142 -12.171 601 HB2 GLN 75 HB2 GLN 75 -1.067 9.325 -11.560 602 HB3 GLN 75 HB3 GLN 75 -2.326 8.293 -12.195 603 HG2 GLN 75 HG2 GLN 75 -0.790 8.965 -13.948 604 HG3 GLN 75 HG3 GLN 75 -2.425 9.552 -14.246 605 HE21 GLN 75 HE21 GLN 75 -0.134 10.961 -11.974 606 HE22 GLN 75 HE22 GLN 75 0.059 12.452 -12.831 607 H LEU 76 H LEU 76 -3.971 8.470 -10.102 608 HA LEU 76 HA LEU 76 -6.198 7.772 -11.811 609 HB2 LEU 76 HB2 LEU 76 -5.910 6.697 -9.044 610 HB3 LEU 76 HB3 LEU 76 -6.492 5.901 -10.490 611 HG LEU 76 HG LEU 76 -3.854 6.334 -11.120 612 HD11 LEU 76 HD11 LEU 76 -2.560 5.624 -9.195 613 HD12 LEU 76 HD12 LEU 76 -4.015 5.690 -8.196 614 HD13 LEU 76 HD13 LEU 76 -3.365 7.169 -8.912 615 HD21 LEU 76 HD21 LEU 76 -5.121 4.263 -11.439 616 HD22 LEU 76 HD22 LEU 76 -5.035 3.941 -9.709 617 HD23 LEU 76 HD23 LEU 76 -3.563 3.955 -10.679 618 H GLU 77 H GLU 77 -5.774 10.355 -10.109 619 HA GLU 77 HA GLU 77 -6.940 11.801 -8.805 620 HB2 GLU 77 HB2 GLU 77 -9.258 12.244 -9.641 621 HB3 GLU 77 HB3 GLU 77 -8.033 12.203 -10.893 622 HG2 GLU 77 HG2 GLU 77 -8.734 9.924 -11.482 623 HG3 GLU 77 HG3 GLU 77 -9.989 10.009 -10.247 624 H MET 78 H MET 78 -6.557 9.591 -7.363 625 HA MET 78 HA MET 78 -9.063 8.719 -6.215 626 HB2 MET 78 HB2 MET 78 -7.746 7.151 -4.972 627 HB3 MET 78 HB3 MET 78 -7.139 7.180 -6.624 628 HG2 MET 78 HG2 MET 78 -5.489 8.961 -5.608 629 HG3 MET 78 HG3 MET 78 -5.861 8.102 -4.116 630 HE1 MET 78 HE1 MET 78 -4.935 4.395 -5.407 631 HE2 MET 78 HE2 MET 78 -6.460 5.215 -5.724 632 HE3 MET 78 HE3 MET 78 -5.741 5.287 -4.115 633 H GLU 79 H GLU 79 -9.244 8.722 -3.769 634 HA GLU 79 HA GLU 79 -8.315 11.324 -2.749 635 HB2 GLU 79 HB2 GLU 79 -10.377 11.562 -1.563 636 HB3 GLU 79 HB3 GLU 79 -10.766 11.188 -3.237 637 HG2 GLU 79 HG2 GLU 79 -11.061 8.807 -2.538 638 HG3 GLU 79 HG3 GLU 79 -10.854 9.338 -0.881 639 H ASP 80 H ASP 80 -8.247 11.410 -0.281 640 HA ASP 80 HA ASP 80 -6.703 9.383 0.751 641 HB2 ASP 80 HB2 ASP 80 -7.154 10.493 2.944 642 HB3 ASP 80 HB3 ASP 80 -6.615 11.592 1.681 643 H GLU 81 H GLU 81 -7.039 7.736 2.043 644 HA GLU 81 HA GLU 81 -7.955 6.071 3.211 645 HB2 GLU 81 HB2 GLU 81 -10.478 7.739 3.246 646 HB3 GLU 81 HB3 GLU 81 -10.229 6.265 4.172 647 HG2 GLU 81 HG2 GLU 81 -8.259 7.399 5.253 648 HG3 GLU 81 HG3 GLU 81 -8.785 8.888 4.474 649 H ASP 82 H ASP 82 -8.274 6.583 0.199 650 HA ASP 82 HA ASP 82 -10.450 4.843 -0.501 651 HB2 ASP 82 HB2 ASP 82 -9.109 6.661 -1.951 652 HB3 ASP 82 HB3 ASP 82 -8.226 5.218 -2.442 653 H THR 83 H THR 83 -10.070 2.760 -1.756 654 HA THR 83 HA THR 83 -7.921 1.282 -0.387 655 HB THR 83 HB THR 83 -10.640 0.194 -1.157 656 HG1 THR 83 HG1 THR 83 -10.858 1.581 0.586 657 HG21 THR 83 HG21 THR 83 -8.395 -1.011 0.473 658 HG22 THR 83 HG22 THR 83 -8.884 -1.519 -1.145 659 HG23 THR 83 HG23 THR 83 -9.983 -1.736 0.217 660 H ILE 84 H ILE 84 -6.684 -0.088 -1.462 661 HA ILE 84 HA ILE 84 -6.809 -0.175 -4.403 662 HB ILE 84 HB ILE 84 -4.619 -1.083 -2.516 663 HG12 ILE 84 HG12 ILE 84 -4.957 1.339 -2.350 664 HG13 ILE 84 HG13 ILE 84 -3.418 0.961 -3.112 665 HG21 ILE 84 HG21 ILE 84 -4.413 -2.244 -4.569 666 HG22 ILE 84 HG22 ILE 84 -3.188 -0.970 -4.545 667 HG23 ILE 84 HG23 ILE 84 -4.655 -0.766 -5.502 668 HD11 ILE 84 HD11 ILE 84 -4.482 2.804 -4.215 669 HD12 ILE 84 HD12 ILE 84 -5.932 1.839 -4.495 670 HD13 ILE 84 HD13 ILE 84 -4.417 1.412 -5.298 671 H ASP 85 H ASP 85 -6.961 -2.167 -5.520 672 HA ASP 85 HA ASP 85 -7.678 -4.476 -3.838 673 HB2 ASP 85 HB2 ASP 85 -9.321 -3.691 -5.589 674 HB3 ASP 85 HB3 ASP 85 -8.147 -4.171 -6.814 675 H VAL 86 H VAL 86 -6.233 -6.037 -3.590 676 HA VAL 86 HA VAL 86 -4.169 -6.402 -5.672 677 HB VAL 86 HB VAL 86 -4.010 -7.068 -2.725 678 HG11 VAL 86 HG11 VAL 86 -1.895 -7.281 -4.867 679 HG12 VAL 86 HG12 VAL 86 -2.741 -8.638 -4.123 680 HG13 VAL 86 HG13 VAL 86 -1.680 -7.620 -3.148 681 HG21 VAL 86 HG21 VAL 86 -2.641 -4.936 -4.339 682 HG22 VAL 86 HG22 VAL 86 -2.342 -5.294 -2.637 683 HG23 VAL 86 HG23 VAL 86 -3.919 -4.686 -3.150 684 H PHE 87 H PHE 87 -3.816 -8.377 -6.504 685 HA PHE 87 HA PHE 87 -5.301 -10.633 -5.430 686 HB2 PHE 87 HB2 PHE 87 -5.807 -11.242 -7.908 687 HB3 PHE 87 HB3 PHE 87 -6.848 -10.101 -7.066 688 HD1 PHE 87 HD1 PHE 87 -6.816 -7.745 -7.622 689 HD2 PHE 87 HD2 PHE 87 -4.362 -10.534 -9.691 690 HE1 PHE 87 HE1 PHE 87 -6.455 -6.107 -9.385 691 HE2 PHE 87 HE2 PHE 87 -3.983 -8.877 -11.475 692 HZ PHE 87 HZ PHE 87 -5.032 -6.656 -11.324 693 H GLN 88 H GLN 88 -4.478 -12.711 -6.077 694 HA GLN 88 HA GLN 88 -1.620 -12.638 -6.260 695 HB2 GLN 88 HB2 GLN 88 -3.060 -14.171 -4.794 696 HB3 GLN 88 HB3 GLN 88 -3.366 -15.085 -6.262 697 HG2 GLN 88 HG2 GLN 88 -1.584 -16.267 -5.592 698 HG3 GLN 88 HG3 GLN 88 -0.686 -14.951 -6.349 699 HE21 GLN 88 HE21 GLN 88 -1.512 -13.093 -4.178 700 HE22 GLN 88 HE22 GLN 88 -0.508 -13.505 -2.831 701 H GLN 89 H GLN 89 -0.664 -12.471 -8.139 702 HA GLN 89 HA GLN 89 -1.781 -13.809 -10.509 703 HB2 GLN 89 HB2 GLN 89 0.149 -11.527 -10.168 704 HB3 GLN 89 HB3 GLN 89 -0.004 -12.379 -11.700 705 HG2 GLN 89 HG2 GLN 89 -2.252 -10.988 -10.261 706 HG3 GLN 89 HG3 GLN 89 -1.336 -10.314 -11.609 707 HE21 GLN 89 HE21 GLN 89 -4.191 -10.930 -11.387 708 HE22 GLN 89 HE22 GLN 89 -4.545 -12.017 -12.678 709 H GLN 90 H GLN 90 -0.242 -14.971 -8.241 710 HA GLN 90 HA GLN 90 2.377 -15.638 -8.989 711 HB2 GLN 90 HB2 GLN 90 1.454 -15.877 -6.710 712 HB3 GLN 90 HB3 GLN 90 0.440 -17.195 -7.271 713 HG2 GLN 90 HG2 GLN 90 2.376 -18.548 -7.728 714 HG3 GLN 90 HG3 GLN 90 3.449 -17.209 -7.317 715 HE21 GLN 90 HE21 GLN 90 4.454 -18.310 -5.684 716 HE22 GLN 90 HE22 GLN 90 3.685 -18.687 -4.183 717 H THR 91 H THR 91 3.229 -17.287 -10.155 718 HA THR 91 HA THR 91 1.687 -18.400 -12.226 719 HB THR 91 HB THR 91 3.817 -19.755 -12.630 720 HG1 THR 91 HG1 THR 91 5.636 -18.839 -11.410 721 HG21 THR 91 HG21 THR 91 3.333 -17.659 -13.803 722 HG22 THR 91 HG22 THR 91 5.049 -17.770 -13.412 723 HG23 THR 91 HG23 THR 91 3.990 -16.741 -12.449 724 H GLY 92 H GLY 92 3.086 -19.811 -9.296 725 HA2 GLY 92 HA2 GLY 92 1.888 -21.507 -8.071 726 HA3 GLY 92 HA3 GLY 92 1.205 -22.059 -9.597 727 H GLY 93 H GLY 93 3.030 -22.642 -11.235 728 HA2 GLY 93 HA2 GLY 93 4.820 -24.490 -9.822 729 HA3 GLY 93 HA3 GLY 93 4.319 -24.634 -11.501 Start of MODEL 10 1 H MET 1 H MET 1 10.832 9.563 24.677 2 HA MET 1 HA MET 1 13.621 10.478 25.046 3 HB2 MET 1 HB2 MET 1 13.529 11.063 22.648 4 HB3 MET 1 HB3 MET 1 13.318 9.340 22.908 5 HG2 MET 1 HG2 MET 1 10.907 9.587 22.588 6 HG3 MET 1 HG3 MET 1 11.118 11.319 22.340 7 HE1 MET 1 HE1 MET 1 13.801 11.423 20.589 8 HE2 MET 1 HE2 MET 1 12.360 12.376 20.247 9 HE3 MET 1 HE3 MET 1 13.114 11.425 18.966 10 H ALA 2 H ALA 2 10.257 11.452 24.345 11 HA ALA 2 HA ALA 2 11.020 14.205 25.041 12 HB1 ALA 2 HB1 ALA 2 10.190 13.992 22.744 13 HB2 ALA 2 HB2 ALA 2 9.061 14.915 23.737 14 HB3 ALA 2 HB3 ALA 2 8.714 13.231 23.342 15 H ASP 3 H ASP 3 10.183 11.750 26.605 16 HA ASP 3 HA ASP 3 7.611 12.412 27.712 17 HB2 ASP 3 HB2 ASP 3 8.078 10.470 29.200 18 HB3 ASP 3 HB3 ASP 3 8.203 10.082 27.489 19 H GLU 4 H GLU 4 10.732 13.545 28.183 20 HA GLU 4 HA GLU 4 10.123 14.403 30.934 21 HB2 GLU 4 HB2 GLU 4 12.562 14.663 31.187 22 HB3 GLU 4 HB3 GLU 4 12.112 13.003 30.811 23 HG2 GLU 4 HG2 GLU 4 12.980 13.103 28.676 24 HG3 GLU 4 HG3 GLU 4 12.866 14.858 28.602 25 H LYS 5 H LYS 5 9.604 15.549 28.065 26 HA LYS 5 HA LYS 5 10.482 18.246 28.639 27 HB2 LYS 5 HB2 LYS 5 11.234 16.677 26.161 28 HB3 LYS 5 HB3 LYS 5 11.224 18.432 26.177 29 HG2 LYS 5 HG2 LYS 5 12.870 16.736 28.048 30 HG3 LYS 5 HG3 LYS 5 13.467 17.416 26.532 31 HD2 LYS 5 HD2 LYS 5 13.171 19.643 27.329 32 HD3 LYS 5 HD3 LYS 5 12.284 19.086 28.746 33 HE2 LYS 5 HE2 LYS 5 15.171 18.432 28.176 34 HE3 LYS 5 HE3 LYS 5 14.639 19.754 29.212 35 HZ1 LYS 5 HZ1 LYS 5 14.300 16.837 29.664 36 HZ2 LYS 5 HZ2 LYS 5 13.413 18.001 30.517 37 HZ3 LYS 5 HZ3 LYS 5 15.093 17.975 30.637 38 HA PRO 6 HA PRO 6 6.577 19.372 26.874 39 HB2 PRO 6 HB2 PRO 6 7.738 21.235 24.938 40 HB3 PRO 6 HB3 PRO 6 6.689 21.565 26.315 41 HG2 PRO 6 HG2 PRO 6 9.312 22.216 26.249 42 HG3 PRO 6 HG3 PRO 6 8.453 21.832 27.752 43 HD2 PRO 6 HD2 PRO 6 10.365 20.180 26.168 44 HD3 PRO 6 HD3 PRO 6 10.099 20.238 27.920 45 H LYS 7 H LYS 7 5.370 19.712 24.790 46 HA LYS 7 HA LYS 7 5.855 17.542 23.014 47 HB2 LYS 7 HB2 LYS 7 3.791 18.080 22.011 48 HB3 LYS 7 HB3 LYS 7 3.585 18.473 23.707 49 HG2 LYS 7 HG2 LYS 7 4.284 20.534 21.619 50 HG3 LYS 7 HG3 LYS 7 2.624 20.132 22.053 51 HD2 LYS 7 HD2 LYS 7 4.714 21.134 23.992 52 HD3 LYS 7 HD3 LYS 7 3.533 22.160 23.184 53 HE2 LYS 7 HE2 LYS 7 1.718 20.894 24.219 54 HE3 LYS 7 HE3 LYS 7 2.896 19.858 25.022 55 HZ1 LYS 7 HZ1 LYS 7 2.576 22.776 25.446 56 HZ2 LYS 7 HZ2 LYS 7 3.729 21.800 26.201 57 HZ3 LYS 7 HZ3 LYS 7 2.087 21.558 26.510 58 H GLU 8 H GLU 8 7.226 20.559 23.136 59 HA GLU 8 HA GLU 8 7.154 21.337 20.412 60 HB2 GLU 8 HB2 GLU 8 9.013 22.088 22.667 61 HB3 GLU 8 HB3 GLU 8 9.052 22.840 21.076 62 HG2 GLU 8 HG2 GLU 8 6.834 23.692 21.354 63 HG3 GLU 8 HG3 GLU 8 6.628 22.795 22.855 64 H GLY 9 H GLY 9 8.466 20.859 18.723 65 HA2 GLY 9 HA2 GLY 9 10.748 20.117 18.072 66 HA3 GLY 9 HA3 GLY 9 10.544 18.839 19.262 67 H VAL 10 H VAL 10 7.606 18.877 18.223 68 HA VAL 10 HA VAL 10 8.048 16.710 16.377 69 HB VAL 10 HB VAL 10 6.309 16.396 18.013 70 HG11 VAL 10 HG11 VAL 10 4.962 18.832 16.854 71 HG12 VAL 10 HG12 VAL 10 5.709 18.704 18.447 72 HG13 VAL 10 HG13 VAL 10 4.269 17.759 18.070 73 HG21 VAL 10 HG21 VAL 10 5.938 15.335 15.857 74 HG22 VAL 10 HG22 VAL 10 5.100 16.774 15.273 75 HG23 VAL 10 HG23 VAL 10 4.401 15.816 16.578 76 H LYS 11 H LYS 11 8.495 17.110 14.320 77 HA LYS 11 HA LYS 11 6.944 19.190 12.921 78 HB2 LYS 11 HB2 LYS 11 9.841 18.569 12.843 79 HB3 LYS 11 HB3 LYS 11 9.081 18.945 11.306 80 HG2 LYS 11 HG2 LYS 11 9.963 20.958 12.136 81 HG3 LYS 11 HG3 LYS 11 8.220 21.046 12.371 82 HD2 LYS 11 HD2 LYS 11 8.557 20.323 14.713 83 HD3 LYS 11 HD3 LYS 11 10.301 20.401 14.446 84 HE2 LYS 11 HE2 LYS 11 9.963 22.786 13.735 85 HE3 LYS 11 HE3 LYS 11 8.307 22.630 14.319 86 HZ1 LYS 11 HZ1 LYS 11 9.155 22.142 16.520 87 HZ2 LYS 11 HZ2 LYS 11 9.762 23.619 15.983 88 HZ3 LYS 11 HZ3 LYS 11 10.747 22.248 15.965 89 H THR 12 H THR 12 5.354 17.934 11.991 90 HA THR 12 HA THR 12 6.337 15.842 10.183 91 HB THR 12 HB THR 12 5.052 14.830 12.018 92 HG1 THR 12 HG1 THR 12 3.328 14.825 9.765 93 HG21 THR 12 HG21 THR 12 2.796 16.636 11.124 94 HG22 THR 12 HG22 THR 12 3.672 16.754 12.650 95 HG23 THR 12 HG23 THR 12 2.659 15.348 12.320 96 H GLU 13 H GLU 13 5.617 15.929 8.100 97 HA GLU 13 HA GLU 13 4.741 18.186 6.856 98 HB2 GLU 13 HB2 GLU 13 3.803 15.492 5.955 99 HB3 GLU 13 HB3 GLU 13 4.108 16.921 4.985 100 HG2 GLU 13 HG2 GLU 13 6.514 16.703 5.502 101 HG3 GLU 13 HG3 GLU 13 6.154 15.205 6.364 102 H ASN 14 H ASN 14 2.798 19.101 6.187 103 HA ASN 14 HA ASN 14 0.271 17.827 6.966 104 HB2 ASN 14 HB2 ASN 14 0.956 20.751 7.413 105 HB3 ASN 14 HB3 ASN 14 -0.591 19.987 7.746 106 HD21 ASN 14 HD21 ASN 14 2.718 20.280 8.712 107 HD22 ASN 14 HD22 ASN 14 2.520 19.666 10.311 108 H ASN 15 H ASN 15 2.115 18.574 4.577 109 HA ASN 15 HA ASN 15 0.314 20.367 3.124 110 HB2 ASN 15 HB2 ASN 15 3.183 19.668 2.502 111 HB3 ASN 15 HB3 ASN 15 2.204 20.898 1.710 112 HD21 ASN 15 HD21 ASN 15 1.884 22.851 2.709 113 HD22 ASN 15 HD22 ASN 15 2.752 23.326 4.127 114 H ASP 16 H ASP 16 -1.134 19.211 1.989 115 HA ASP 16 HA ASP 16 -1.994 18.008 0.328 116 HB2 ASP 16 HB2 ASP 16 -0.298 19.630 -0.748 117 HB3 ASP 16 HB3 ASP 16 0.615 18.168 -1.103 118 H HIS 17 H HIS 17 -1.240 16.253 2.256 119 HA HIS 17 HA HIS 17 -0.435 13.998 0.569 120 HB2 HIS 17 HB2 HIS 17 0.611 12.863 2.437 121 HB3 HIS 17 HB3 HIS 17 1.318 14.458 2.256 122 HD1 HIS 17 HD1 HIS 17 1.292 15.932 4.273 123 HD2 HIS 17 HD2 HIS 17 -1.136 12.604 4.712 124 HE1 HIS 17 HE1 HIS 17 0.619 15.899 6.698 125 HE2 HIS 17 HE2 HIS 17 -0.982 13.983 6.897 126 H ILE 18 H ILE 18 -1.426 11.996 0.907 127 HA ILE 18 HA ILE 18 -4.027 12.161 2.294 128 HB ILE 18 HB ILE 18 -5.102 10.960 0.414 129 HG12 ILE 18 HG12 ILE 18 -2.570 11.535 -1.136 130 HG13 ILE 18 HG13 ILE 18 -2.953 9.966 -0.444 131 HG21 ILE 18 HG21 ILE 18 -5.275 13.398 0.537 132 HG22 ILE 18 HG22 ILE 18 -5.241 12.845 -1.138 133 HG23 ILE 18 HG23 ILE 18 -3.796 13.550 -0.415 134 HD11 ILE 18 HD11 ILE 18 -4.979 9.882 -1.844 135 HD12 ILE 18 HD12 ILE 18 -3.493 9.978 -2.781 136 HD13 ILE 18 HD13 ILE 18 -4.504 11.415 -2.582 137 H ASN 19 H ASN 19 -5.080 10.029 2.506 138 HA ASN 19 HA ASN 19 -3.122 8.005 3.296 139 HB2 ASN 19 HB2 ASN 19 -4.947 8.839 4.880 140 HB3 ASN 19 HB3 ASN 19 -6.099 8.035 3.828 141 HD21 ASN 19 HD21 ASN 19 -3.626 7.644 6.181 142 HD22 ASN 19 HD22 ASN 19 -3.858 5.960 6.469 143 H LEU 20 H LEU 20 -3.064 6.035 2.420 144 HA LEU 20 HA LEU 20 -5.128 5.343 0.443 145 HB2 LEU 20 HB2 LEU 20 -2.141 5.064 0.084 146 HB3 LEU 20 HB3 LEU 20 -3.293 4.170 -0.882 147 HG LEU 20 HG LEU 20 -2.653 5.969 -2.238 148 HD11 LEU 20 HD11 LEU 20 -5.072 5.646 -2.153 149 HD12 LEU 20 HD12 LEU 20 -4.616 7.303 -2.542 150 HD13 LEU 20 HD13 LEU 20 -5.185 6.904 -0.923 151 HD21 LEU 20 HD21 LEU 20 -2.546 8.280 -1.521 152 HD22 LEU 20 HD22 LEU 20 -1.495 7.262 -0.533 153 HD23 LEU 20 HD23 LEU 20 -3.046 7.812 0.106 154 H LYS 21 H LYS 21 -5.775 3.231 0.445 155 HA LYS 21 HA LYS 21 -4.427 1.508 2.405 156 HB2 LYS 21 HB2 LYS 21 -7.397 1.693 1.921 157 HB3 LYS 21 HB3 LYS 21 -6.596 0.606 3.050 158 HG2 LYS 21 HG2 LYS 21 -5.739 2.605 4.265 159 HG3 LYS 21 HG3 LYS 21 -6.733 3.604 3.201 160 HD2 LYS 21 HD2 LYS 21 -7.806 1.401 4.964 161 HD3 LYS 21 HD3 LYS 21 -7.833 3.117 5.368 162 HE2 LYS 21 HE2 LYS 21 -9.294 3.600 3.531 163 HE3 LYS 21 HE3 LYS 21 -9.109 1.976 2.882 164 HZ1 LYS 21 HZ1 LYS 21 -10.372 2.592 5.498 165 HZ2 LYS 21 HZ2 LYS 21 -10.304 1.086 4.732 166 HZ3 LYS 21 HZ3 LYS 21 -11.225 2.328 4.063 167 H VAL 22 H VAL 22 -4.326 -0.639 1.917 168 HA VAL 22 HA VAL 22 -5.185 -1.403 -0.789 169 HB VAL 22 HB VAL 22 -2.808 -1.052 -0.902 170 HG11 VAL 22 HG11 VAL 22 -2.506 -1.096 1.532 171 HG12 VAL 22 HG12 VAL 22 -1.231 -1.855 0.580 172 HG13 VAL 22 HG13 VAL 22 -2.423 -2.856 1.424 173 HG21 VAL 22 HG21 VAL 22 -1.950 -3.297 -1.357 174 HG22 VAL 22 HG22 VAL 22 -3.542 -3.029 -2.061 175 HG23 VAL 22 HG23 VAL 22 -3.378 -3.981 -0.585 176 H ALA 23 H ALA 23 -6.245 -3.323 -0.944 177 HA ALA 23 HA ALA 23 -6.437 -4.929 1.527 178 HB1 ALA 23 HB1 ALA 23 -8.536 -3.836 0.912 179 HB2 ALA 23 HB2 ALA 23 -8.668 -5.589 0.779 180 HB3 ALA 23 HB3 ALA 23 -8.481 -4.606 -0.674 181 H GLY 24 H GLY 24 -5.882 -7.029 1.426 182 HA2 GLY 24 HA2 GLY 24 -4.947 -8.077 -1.134 183 HA3 GLY 24 HA3 GLY 24 -4.534 -8.703 0.456 184 H GLN 25 H GLN 25 -5.119 -10.578 -1.196 185 HA GLN 25 HA GLN 25 -7.863 -11.156 -1.604 186 HB2 GLN 25 HB2 GLN 25 -5.592 -13.139 -1.548 187 HB3 GLN 25 HB3 GLN 25 -7.122 -13.288 -2.399 188 HG2 GLN 25 HG2 GLN 25 -5.781 -12.700 -4.138 189 HG3 GLN 25 HG3 GLN 25 -6.283 -11.106 -3.565 190 HE21 GLN 25 HE21 GLN 25 -4.807 -9.716 -2.767 191 HE22 GLN 25 HE22 GLN 25 -3.109 -10.045 -2.689 192 H ASP 26 H ASP 26 -5.687 -11.605 0.982 193 HA ASP 26 HA ASP 26 -7.228 -13.686 2.276 194 HB2 ASP 26 HB2 ASP 26 -5.543 -13.634 3.987 195 HB3 ASP 26 HB3 ASP 26 -4.733 -13.531 2.427 196 H GLY 27 H GLY 27 -7.607 -10.416 1.928 197 HA2 GLY 27 HA2 GLY 27 -9.366 -9.205 2.904 198 HA3 GLY 27 HA3 GLY 27 -9.364 -10.326 4.255 199 H SER 28 H SER 28 -6.214 -9.514 3.647 200 HA SER 28 HA SER 28 -6.091 -7.830 5.969 201 HB2 SER 28 HB2 SER 28 -4.331 -9.495 5.440 202 HB3 SER 28 HB3 SER 28 -3.916 -8.580 3.995 203 HG SER 28 HG SER 28 -2.543 -7.742 5.371 204 H VAL 29 H VAL 29 -5.148 -5.691 5.964 205 HA VAL 29 HA VAL 29 -5.103 -4.275 3.453 206 HB VAL 29 HB VAL 29 -7.428 -4.027 3.902 207 HG11 VAL 29 HG11 VAL 29 -6.697 -3.215 6.699 208 HG12 VAL 29 HG12 VAL 29 -7.464 -4.723 6.197 209 HG13 VAL 29 HG13 VAL 29 -8.323 -3.194 6.012 210 HG21 VAL 29 HG21 VAL 29 -6.357 -1.968 3.173 211 HG22 VAL 29 HG22 VAL 29 -6.025 -1.527 4.847 212 HG23 VAL 29 HG23 VAL 29 -7.689 -1.609 4.272 213 H VAL 30 H VAL 30 -3.742 -2.576 3.473 214 HA VAL 30 HA VAL 30 -2.544 -1.893 6.070 215 HB VAL 30 HB VAL 30 -1.034 -1.704 3.478 216 HG11 VAL 30 HG11 VAL 30 0.910 -1.742 4.942 217 HG12 VAL 30 HG12 VAL 30 -0.136 -1.945 6.346 218 HG13 VAL 30 HG13 VAL 30 -0.198 -0.453 5.408 219 HG21 VAL 30 HG21 VAL 30 -1.145 -4.074 5.338 220 HG22 VAL 30 HG22 VAL 30 0.015 -3.866 4.021 221 HG23 VAL 30 HG23 VAL 30 -1.706 -4.013 3.667 222 H GLN 31 H GLN 31 -2.373 0.285 6.522 223 HA GLN 31 HA GLN 31 -3.433 2.081 4.458 224 HB2 GLN 31 HB2 GLN 31 -3.345 2.549 7.440 225 HB3 GLN 31 HB3 GLN 31 -4.124 3.569 6.247 226 HG2 GLN 31 HG2 GLN 31 -5.949 2.463 7.014 227 HG3 GLN 31 HG3 GLN 31 -5.456 1.332 5.757 228 HE21 GLN 31 HE21 GLN 31 -4.662 -0.652 6.325 229 HE22 GLN 31 HE22 GLN 31 -4.719 -1.269 7.936 230 H PHE 32 H PHE 32 -2.416 3.994 3.986 231 HA PHE 32 HA PHE 32 0.221 4.500 5.216 232 HB2 PHE 32 HB2 PHE 32 -0.124 4.560 2.218 233 HB3 PHE 32 HB3 PHE 32 1.368 4.652 3.135 234 HD1 PHE 32 HD1 PHE 32 -1.367 2.428 2.084 235 HD2 PHE 32 HD2 PHE 32 2.542 2.691 3.746 236 HE1 PHE 32 HE1 PHE 32 -1.074 0.030 1.775 237 HE2 PHE 32 HE2 PHE 32 2.832 0.264 3.445 238 HZ PHE 32 HZ PHE 32 1.001 -1.070 2.454 239 HH31 ALY 33 HH31 ALY 33 -6.163 13.061 4.217 240 HH32 ALY 33 HH32 ALY 33 -4.447 13.440 3.945 241 HH33 ALY 33 HH33 ALY 33 -5.214 13.781 5.509 242 HZ ALY 33 HZ ALY 33 -3.379 12.192 6.438 243 HE3 ALY 33 HE3 ALY 33 -3.227 9.758 4.820 244 HE2 ALY 33 HE2 ALY 33 -1.825 10.821 4.889 245 HD3 ALY 33 HD3 ALY 33 -1.813 10.592 7.336 246 HD2 ALY 33 HD2 ALY 33 -3.179 9.479 7.186 247 HG3 ALY 33 HG3 ALY 33 -1.040 8.309 7.512 248 HG2 ALY 33 HG2 ALY 33 -1.844 7.893 6.001 249 HB3 ALY 33 HB3 ALY 33 -0.090 10.134 5.635 250 HB2 ALY 33 HB2 ALY 33 0.774 8.778 6.351 251 HCA ALY 33 HCA ALY 33 -0.935 8.550 3.879 252 H ALY 33 H ALY 33 1.007 6.619 4.944 253 H ILE 34 H ILE 34 -0.103 9.206 2.053 254 HA ILE 34 HA ILE 34 2.718 10.046 1.989 255 HB ILE 34 HB ILE 34 3.106 9.024 -0.175 256 HG12 ILE 34 HG12 ILE 34 0.306 7.891 0.011 257 HG13 ILE 34 HG13 ILE 34 0.770 9.244 -1.018 258 HG21 ILE 34 HG21 ILE 34 3.572 7.613 1.753 259 HG22 ILE 34 HG22 ILE 34 2.991 6.630 0.406 260 HG23 ILE 34 HG23 ILE 34 1.907 7.028 1.742 261 HD11 ILE 34 HD11 ILE 34 1.825 6.427 -1.226 262 HD12 ILE 34 HD12 ILE 34 2.271 7.781 -2.264 263 HD13 ILE 34 HD13 ILE 34 0.618 7.168 -2.280 264 H LYS 35 H LYS 35 3.170 11.428 0.055 265 HA LYS 35 HA LYS 35 1.107 13.384 -0.233 266 HB2 LYS 35 HB2 LYS 35 3.849 13.098 -1.424 267 HB3 LYS 35 HB3 LYS 35 2.770 14.412 -1.863 268 HG2 LYS 35 HG2 LYS 35 2.743 15.196 0.423 269 HG3 LYS 35 HG3 LYS 35 3.739 13.828 0.924 270 HD2 LYS 35 HD2 LYS 35 4.649 15.673 -1.231 271 HD3 LYS 35 HD3 LYS 35 4.879 16.111 0.467 272 HE2 LYS 35 HE2 LYS 35 5.850 13.563 -0.830 273 HE3 LYS 35 HE3 LYS 35 6.844 14.994 -0.570 274 HZ1 LYS 35 HZ1 LYS 35 7.212 13.408 1.170 275 HZ2 LYS 35 HZ2 LYS 35 5.568 13.334 1.537 276 HZ3 LYS 35 HZ3 LYS 35 6.437 14.756 1.832 277 H ARG 36 H ARG 36 -0.022 13.944 -2.103 278 HA ARG 36 HA ARG 36 -0.690 11.760 -3.801 279 HB2 ARG 36 HB2 ARG 36 -2.197 13.335 -4.951 280 HB3 ARG 36 HB3 ARG 36 -2.404 13.374 -3.213 281 HG2 ARG 36 HG2 ARG 36 -2.441 15.605 -3.688 282 HG3 ARG 36 HG3 ARG 36 -0.721 15.384 -3.384 283 HD2 ARG 36 HD2 ARG 36 -0.347 15.137 -5.807 284 HD3 ARG 36 HD3 ARG 36 -2.063 15.424 -6.088 285 HE ARG 36 HE ARG 36 -0.867 17.508 -4.551 286 HH11 ARG 36 HH11 ARG 36 -1.276 16.333 -7.841 287 HH12 ARG 36 HH12 ARG 36 -1.033 17.891 -8.549 288 HH21 ARG 36 HH21 ARG 36 -0.586 19.539 -5.485 289 HH22 ARG 36 HH22 ARG 36 -0.659 19.733 -7.206 290 H HIS 37 H HIS 37 1.842 13.932 -3.871 291 HA HIS 37 HA HIS 37 2.144 13.835 -6.790 292 HB2 HIS 37 HB2 HIS 37 2.279 16.068 -5.622 293 HB3 HIS 37 HB3 HIS 37 3.676 15.470 -4.740 294 HD1 HIS 37 HD1 HIS 37 5.680 16.584 -5.671 295 HD2 HIS 37 HD2 HIS 37 2.991 15.504 -8.656 296 HE1 HIS 37 HE1 HIS 37 6.763 17.256 -7.832 297 HE2 HIS 37 HE2 HIS 37 5.194 16.446 -9.629 298 H THR 38 H THR 38 2.870 12.253 -4.040 299 HA THR 38 HA THR 38 5.551 11.393 -4.693 300 HB THR 38 HB THR 38 3.687 11.205 -2.370 301 HG1 THR 38 HG1 THR 38 6.456 11.792 -2.593 302 HG21 THR 38 HG21 THR 38 4.330 8.856 -2.732 303 HG22 THR 38 HG22 THR 38 5.041 9.510 -1.253 304 HG23 THR 38 HG23 THR 38 6.035 9.320 -2.701 305 HA PRO 39 HA PRO 39 4.116 7.889 -7.043 306 HB2 PRO 39 HB2 PRO 39 6.229 6.187 -6.553 307 HB3 PRO 39 HB3 PRO 39 6.249 7.476 -7.762 308 HG2 PRO 39 HG2 PRO 39 7.334 7.470 -4.974 309 HG3 PRO 39 HG3 PRO 39 8.064 8.121 -6.455 310 HD2 PRO 39 HD2 PRO 39 6.883 9.732 -4.675 311 HD3 PRO 39 HD3 PRO 39 6.730 10.029 -6.419 312 H LEU 40 H LEU 40 2.701 6.350 -6.543 313 HA LEU 40 HA LEU 40 2.272 5.574 -3.854 314 HB2 LEU 40 HB2 LEU 40 0.551 3.988 -4.916 315 HB3 LEU 40 HB3 LEU 40 0.297 5.710 -5.056 316 HG LEU 40 HG LEU 40 1.226 5.587 -7.386 317 HD11 LEU 40 HD11 LEU 40 2.492 3.520 -7.180 318 HD12 LEU 40 HD12 LEU 40 1.312 3.417 -8.487 319 HD13 LEU 40 HD13 LEU 40 0.995 2.616 -6.946 320 HD21 LEU 40 HD21 LEU 40 -0.802 4.634 -8.349 321 HD22 LEU 40 HD22 LEU 40 -1.160 5.665 -6.963 322 HD23 LEU 40 HD23 LEU 40 -1.201 3.910 -6.791 323 H SER 41 H SER 41 4.272 4.327 -6.277 324 HA SER 41 HA SER 41 4.297 1.599 -5.872 325 HB2 SER 41 HB2 SER 41 6.798 1.869 -6.494 326 HB3 SER 41 HB3 SER 41 5.571 2.367 -7.658 327 HG SER 41 HG SER 41 6.689 4.144 -7.618 328 H LYS 42 H LYS 42 5.546 4.120 -3.855 329 HA LYS 42 HA LYS 42 7.385 2.669 -2.314 330 HB2 LYS 42 HB2 LYS 42 5.627 4.969 -1.443 331 HB3 LYS 42 HB3 LYS 42 7.082 4.417 -0.625 332 HG2 LYS 42 HG2 LYS 42 8.431 5.054 -2.543 333 HG3 LYS 42 HG3 LYS 42 6.979 5.549 -3.417 334 HD2 LYS 42 HD2 LYS 42 8.015 7.514 -2.522 335 HD3 LYS 42 HD3 LYS 42 6.542 7.207 -1.603 336 HE2 LYS 42 HE2 LYS 42 8.313 7.818 -0.088 337 HE3 LYS 42 HE3 LYS 42 7.908 6.121 0.151 338 HZ1 LYS 42 HZ1 LYS 42 10.184 7.085 -1.492 339 HZ2 LYS 42 HZ2 LYS 42 9.838 5.480 -1.100 340 HZ3 LYS 42 HZ3 LYS 42 10.316 6.561 0.105 341 H LEU 43 H LEU 43 3.924 3.266 -1.839 342 HA LEU 43 HA LEU 43 3.792 1.664 0.524 343 HB2 LEU 43 HB2 LEU 43 1.511 2.155 0.635 344 HB3 LEU 43 HB3 LEU 43 2.219 3.578 -0.089 345 HG LEU 43 HG LEU 43 1.485 2.438 -2.343 346 HD11 LEU 43 HD11 LEU 43 -0.580 1.147 -2.138 347 HD12 LEU 43 HD12 LEU 43 -0.442 1.193 -0.380 348 HD13 LEU 43 HD13 LEU 43 0.758 0.323 -1.333 349 HD21 LEU 43 HD21 LEU 43 -0.484 3.701 -0.453 350 HD22 LEU 43 HD22 LEU 43 -0.653 3.605 -2.205 351 HD23 LEU 43 HD23 LEU 43 0.646 4.568 -1.493 352 H MET 44 H MET 44 3.198 1.096 -2.891 353 HA MET 44 HA MET 44 1.866 -1.370 -2.613 354 HB2 MET 44 HB2 MET 44 3.571 -0.423 -4.918 355 HB3 MET 44 HB3 MET 44 2.476 -1.796 -4.961 356 HG2 MET 44 HG2 MET 44 0.666 -0.080 -4.307 357 HG3 MET 44 HG3 MET 44 1.841 1.121 -4.832 358 HE1 MET 44 HE1 MET 44 2.974 1.002 -7.341 359 HE2 MET 44 HE2 MET 44 2.432 -0.137 -8.573 360 HE3 MET 44 HE3 MET 44 3.277 -0.723 -7.142 361 H LYS 45 H LYS 45 5.302 -0.665 -3.193 362 HA LYS 45 HA LYS 45 6.033 -3.401 -3.065 363 HB2 LYS 45 HB2 LYS 45 7.750 -0.948 -2.697 364 HB3 LYS 45 HB3 LYS 45 8.349 -2.586 -2.918 365 HG2 LYS 45 HG2 LYS 45 7.101 -2.607 -5.119 366 HG3 LYS 45 HG3 LYS 45 6.883 -0.872 -4.905 367 HD2 LYS 45 HD2 LYS 45 8.796 -1.141 -6.270 368 HD3 LYS 45 HD3 LYS 45 9.397 -0.722 -4.665 369 HE2 LYS 45 HE2 LYS 45 9.828 -3.101 -4.219 370 HE3 LYS 45 HE3 LYS 45 9.238 -3.509 -5.827 371 HZ1 LYS 45 HZ1 LYS 45 11.031 -2.189 -6.770 372 HZ2 LYS 45 HZ2 LYS 45 11.643 -3.404 -5.768 373 HZ3 LYS 45 HZ3 LYS 45 11.592 -1.806 -5.225 374 H ALA 46 H ALA 46 5.727 -0.853 -0.683 375 HA ALA 46 HA ALA 46 7.043 -2.179 1.434 376 HB1 ALA 46 HB1 ALA 46 5.834 -0.645 2.903 377 HB2 ALA 46 HB2 ALA 46 4.767 -0.199 1.571 378 HB3 ALA 46 HB3 ALA 46 6.481 0.210 1.500 379 H TYR 47 H TYR 47 3.746 -2.279 0.170 380 HA TYR 47 HA TYR 47 2.516 -3.772 2.147 381 HB2 TYR 47 HB2 TYR 47 1.226 -2.710 0.416 382 HB3 TYR 47 HB3 TYR 47 2.046 -3.634 -0.834 383 HD1 TYR 47 HD1 TYR 47 1.475 -5.993 -1.210 384 HD2 TYR 47 HD2 TYR 47 -0.545 -3.688 1.727 385 HE1 TYR 47 HE1 TYR 47 -0.294 -7.695 -1.113 386 HE2 TYR 47 HE2 TYR 47 -2.317 -5.374 1.852 387 HH TYR 47 HH TYR 47 -2.015 -8.447 0.691 388 H CYS 48 H CYS 48 4.092 -4.903 -0.881 389 HA CYS 48 HA CYS 48 3.629 -7.613 -0.286 390 HB2 CYS 48 HB2 CYS 48 5.250 -8.071 -2.123 391 HB3 CYS 48 HB3 CYS 48 3.962 -6.964 -2.574 392 HG CYS 48 HG CYS 48 6.567 -5.241 -1.513 393 H GLU 49 H GLU 49 6.294 -5.434 0.443 394 HA GLU 49 HA GLU 49 8.112 -7.407 1.296 395 HB2 GLU 49 HB2 GLU 49 7.854 -4.486 1.997 396 HB3 GLU 49 HB3 GLU 49 9.175 -5.500 2.572 397 HG2 GLU 49 HG2 GLU 49 9.791 -5.953 0.227 398 HG3 GLU 49 HG3 GLU 49 8.514 -4.856 -0.292 399 H ARG 50 H ARG 50 5.627 -5.567 3.044 400 HA ARG 50 HA ARG 50 6.371 -6.749 5.567 401 HB2 ARG 50 HB2 ARG 50 4.499 -5.508 6.511 402 HB3 ARG 50 HB3 ARG 50 5.451 -4.465 5.466 403 HG2 ARG 50 HG2 ARG 50 3.797 -4.717 3.691 404 HG3 ARG 50 HG3 ARG 50 2.849 -5.787 4.721 405 HD2 ARG 50 HD2 ARG 50 3.482 -2.896 5.326 406 HD3 ARG 50 HD3 ARG 50 1.978 -3.494 4.658 407 HE ARG 50 HE ARG 50 1.929 -4.902 6.818 408 HH11 ARG 50 HH11 ARG 50 3.278 -1.661 6.627 409 HH12 ARG 50 HH12 ARG 50 2.747 -1.208 8.207 410 HH21 ARG 50 HH21 ARG 50 1.245 -4.313 8.903 411 HH22 ARG 50 HH22 ARG 50 1.590 -2.735 9.522 412 H GLN 51 H GLN 51 3.964 -7.383 3.089 413 HA GLN 51 HA GLN 51 2.439 -9.174 4.748 414 HB2 GLN 51 HB2 GLN 51 2.291 -8.527 1.820 415 HB3 GLN 51 HB3 GLN 51 1.199 -9.649 2.635 416 HG2 GLN 51 HG2 GLN 51 1.580 -6.771 3.328 417 HG3 GLN 51 HG3 GLN 51 0.271 -7.416 2.340 418 HE21 GLN 51 HE21 GLN 51 1.639 -7.309 5.557 419 HE22 GLN 51 HE22 GLN 51 0.217 -7.821 6.390 420 H GLY 52 H GLY 52 5.143 -9.484 2.661 421 HA2 GLY 52 HA2 GLY 52 6.440 -11.409 2.432 422 HA3 GLY 52 HA3 GLY 52 5.118 -12.350 3.121 423 H LEU 53 H LEU 53 5.040 -10.085 0.431 424 HA LEU 53 HA LEU 53 4.342 -12.300 -1.375 425 HB2 LEU 53 HB2 LEU 53 2.940 -9.666 -1.035 426 HB3 LEU 53 HB3 LEU 53 2.869 -10.533 -2.550 427 HG LEU 53 HG LEU 53 0.890 -10.954 -1.341 428 HD11 LEU 53 HD11 LEU 53 0.896 -13.382 -1.149 429 HD12 LEU 53 HD12 LEU 53 2.656 -13.378 -1.143 430 HD13 LEU 53 HD13 LEU 53 1.780 -12.846 -2.578 431 HD21 LEU 53 HD21 LEU 53 1.636 -10.406 0.885 432 HD22 LEU 53 HD22 LEU 53 2.578 -11.896 0.954 433 HD23 LEU 53 HD23 LEU 53 0.817 -11.967 0.870 434 H SER 54 H SER 54 4.597 -11.618 -3.707 435 HA SER 54 HA SER 54 6.719 -9.610 -3.992 436 HB2 SER 54 HB2 SER 54 6.453 -12.317 -5.281 437 HB3 SER 54 HB3 SER 54 7.556 -11.089 -5.887 438 HG SER 54 HG SER 54 7.869 -11.316 -3.237 439 H MET 55 H MET 55 6.834 -8.605 -6.133 440 HA MET 55 HA MET 55 4.302 -7.734 -7.013 441 HB2 MET 55 HB2 MET 55 7.085 -7.343 -8.053 442 HB3 MET 55 HB3 MET 55 5.696 -6.747 -8.959 443 HG2 MET 55 HG2 MET 55 6.403 -6.041 -6.125 444 HG3 MET 55 HG3 MET 55 6.648 -5.021 -7.544 445 HE1 MET 55 HE1 MET 55 3.664 -3.514 -5.355 446 HE2 MET 55 HE2 MET 55 5.304 -3.214 -5.928 447 HE3 MET 55 HE3 MET 55 4.997 -4.494 -4.751 448 H ARG 56 H ARG 56 6.332 -10.331 -8.040 449 HA ARG 56 HA ARG 56 4.814 -10.768 -10.471 450 HB2 ARG 56 HB2 ARG 56 6.239 -12.884 -10.628 451 HB3 ARG 56 HB3 ARG 56 7.065 -11.344 -10.750 452 HG2 ARG 56 HG2 ARG 56 6.927 -12.564 -8.069 453 HG3 ARG 56 HG3 ARG 56 7.965 -13.341 -9.265 454 HD2 ARG 56 HD2 ARG 56 8.072 -10.451 -8.404 455 HD3 ARG 56 HD3 ARG 56 9.236 -11.710 -7.988 456 HE ARG 56 HE ARG 56 9.114 -11.628 -10.752 457 HH11 ARG 56 HH11 ARG 56 10.041 -9.441 -8.156 458 HH12 ARG 56 HH12 ARG 56 11.181 -8.572 -9.123 459 HH21 ARG 56 HH21 ARG 56 10.609 -10.472 -12.029 460 HH22 ARG 56 HH22 ARG 56 11.505 -9.164 -11.342 461 H GLN 57 H GLN 57 4.545 -11.526 -7.234 462 HA GLN 57 HA GLN 57 2.992 -13.965 -7.647 463 HB2 GLN 57 HB2 GLN 57 4.390 -12.694 -5.394 464 HB3 GLN 57 HB3 GLN 57 2.872 -13.487 -4.978 465 HG2 GLN 57 HG2 GLN 57 5.003 -14.852 -4.789 466 HG3 GLN 57 HG3 GLN 57 3.656 -15.583 -5.655 467 HE21 GLN 57 HE21 GLN 57 6.733 -14.004 -6.006 468 HE22 GLN 57 HE22 GLN 57 7.096 -14.636 -7.571 469 H ILE 58 H ILE 58 2.597 -10.610 -6.934 470 HA ILE 58 HA ILE 58 -0.320 -11.040 -6.921 471 HB ILE 58 HB ILE 58 -0.686 -9.359 -5.247 472 HG12 ILE 58 HG12 ILE 58 2.316 -8.973 -5.300 473 HG13 ILE 58 HG13 ILE 58 1.084 -7.809 -5.769 474 HG21 ILE 58 HG21 ILE 58 -0.233 -11.638 -4.466 475 HG22 ILE 58 HG22 ILE 58 0.280 -10.424 -3.290 476 HG23 ILE 58 HG23 ILE 58 1.478 -11.231 -4.306 477 HD11 ILE 58 HD11 ILE 58 2.058 -7.276 -3.599 478 HD12 ILE 58 HD12 ILE 58 1.526 -8.837 -2.975 479 HD13 ILE 58 HD13 ILE 58 0.338 -7.633 -3.469 480 H ARG 59 H ARG 59 -1.387 -8.728 -7.103 481 HA ARG 59 HA ARG 59 0.074 -6.905 -8.774 482 HB2 ARG 59 HB2 ARG 59 -1.855 -8.826 -9.882 483 HB3 ARG 59 HB3 ARG 59 -2.141 -7.155 -10.350 484 HG2 ARG 59 HG2 ARG 59 0.476 -8.605 -10.693 485 HG3 ARG 59 HG3 ARG 59 -0.741 -8.392 -11.956 486 HD2 ARG 59 HD2 ARG 59 -0.541 -5.967 -11.723 487 HD3 ARG 59 HD3 ARG 59 0.682 -6.184 -10.482 488 HE ARG 59 HE ARG 59 2.180 -7.019 -12.116 489 HH11 ARG 59 HH11 ARG 59 -0.815 -5.814 -13.512 490 HH12 ARG 59 HH12 ARG 59 -0.119 -5.512 -15.062 491 HH21 ARG 59 HH21 ARG 59 3.106 -6.611 -14.166 492 HH22 ARG 59 HH22 ARG 59 2.127 -5.968 -15.439 493 H PHE 60 H PHE 60 -0.750 -4.878 -8.740 494 HA PHE 60 HA PHE 60 -2.966 -4.439 -6.888 495 HB2 PHE 60 HB2 PHE 60 -0.801 -2.580 -7.909 496 HB3 PHE 60 HB3 PHE 60 -2.090 -2.101 -6.810 497 HD1 PHE 60 HD1 PHE 60 0.694 -4.557 -7.126 498 HD2 PHE 60 HD2 PHE 60 -1.754 -2.249 -4.531 499 HE1 PHE 60 HE1 PHE 60 2.061 -5.265 -5.213 500 HE2 PHE 60 HE2 PHE 60 -0.390 -2.950 -2.612 501 HZ PHE 60 HZ PHE 60 1.519 -4.467 -2.949 502 H ARG 61 H ARG 61 -4.762 -3.302 -7.462 503 HA ARG 61 HA ARG 61 -4.978 -2.203 -10.153 504 HB2 ARG 61 HB2 ARG 61 -5.605 -4.475 -10.515 505 HB3 ARG 61 HB3 ARG 61 -6.611 -4.496 -9.080 506 HG2 ARG 61 HG2 ARG 61 -7.370 -2.588 -11.210 507 HG3 ARG 61 HG3 ARG 61 -7.573 -4.307 -11.561 508 HD2 ARG 61 HD2 ARG 61 -8.679 -4.339 -9.184 509 HD3 ARG 61 HD3 ARG 61 -8.893 -2.617 -9.491 510 HE ARG 61 HE ARG 61 -9.963 -3.512 -11.679 511 HH11 ARG 61 HH11 ARG 61 -10.192 -5.027 -8.514 512 HH12 ARG 61 HH12 ARG 61 -11.775 -5.656 -8.797 513 HH21 ARG 61 HH21 ARG 61 -12.072 -4.370 -12.046 514 HH22 ARG 61 HH22 ARG 61 -12.845 -5.291 -10.806 515 H PHE 62 H PHE 62 -6.318 -0.489 -10.275 516 HA PHE 62 HA PHE 62 -8.169 0.037 -8.082 517 HB2 PHE 62 HB2 PHE 62 -6.116 1.179 -7.428 518 HB3 PHE 62 HB3 PHE 62 -6.035 1.983 -8.992 519 HD1 PHE 62 HD1 PHE 62 -7.883 1.740 -5.828 520 HD2 PHE 62 HD2 PHE 62 -7.295 3.951 -9.407 521 HE1 PHE 62 HE1 PHE 62 -9.188 3.603 -4.894 522 HE2 PHE 62 HE2 PHE 62 -8.594 5.818 -8.481 523 HZ PHE 62 HZ PHE 62 -9.540 5.647 -6.221 524 H ASP 63 H ASP 63 -9.824 1.399 -8.632 525 HA ASP 63 HA ASP 63 -11.543 2.074 -9.993 526 HB2 ASP 63 HB2 ASP 63 -9.295 3.630 -10.514 527 HB3 ASP 63 HB3 ASP 63 -9.967 3.268 -12.094 528 H GLY 64 H GLY 64 -10.281 -0.536 -10.641 529 HA2 GLY 64 HA2 GLY 64 -11.021 -2.141 -12.123 530 HA3 GLY 64 HA3 GLY 64 -11.602 -0.887 -13.198 531 H GLN 65 H GLN 65 -8.641 0.204 -12.660 532 HA GLN 65 HA GLN 65 -7.510 -1.339 -14.889 533 HB2 GLN 65 HB2 GLN 65 -6.095 0.713 -15.258 534 HB3 GLN 65 HB3 GLN 65 -7.814 0.940 -15.543 535 HG2 GLN 65 HG2 GLN 65 -8.048 2.011 -13.381 536 HG3 GLN 65 HG3 GLN 65 -6.342 1.733 -13.040 537 HE21 GLN 65 HE21 GLN 65 -5.948 3.892 -12.790 538 HE22 GLN 65 HE22 GLN 65 -5.901 5.015 -14.093 539 HA PRO 66 HA PRO 66 -4.227 -2.721 -12.260 540 HB2 PRO 66 HB2 PRO 66 -2.238 -3.067 -14.072 541 HB3 PRO 66 HB3 PRO 66 -3.637 -4.146 -13.978 542 HG2 PRO 66 HG2 PRO 66 -3.116 -1.881 -15.861 543 HG3 PRO 66 HG3 PRO 66 -3.799 -3.483 -16.195 544 HD2 PRO 66 HD2 PRO 66 -5.322 -1.244 -15.921 545 HD3 PRO 66 HD3 PRO 66 -5.899 -2.868 -15.495 546 H ILE 67 H ILE 67 -2.633 -1.825 -11.041 547 HA ILE 67 HA ILE 67 -1.812 0.902 -11.735 548 HB ILE 67 HB ILE 67 -1.245 -0.560 -9.153 549 HG12 ILE 67 HG12 ILE 67 -3.629 1.195 -9.772 550 HG13 ILE 67 HG13 ILE 67 -3.675 -0.552 -9.559 551 HG21 ILE 67 HG21 ILE 67 0.077 1.449 -9.552 552 HG22 ILE 67 HG22 ILE 67 -1.057 1.700 -8.225 553 HG23 ILE 67 HG23 ILE 67 -1.397 2.382 -9.817 554 HD11 ILE 67 HD11 ILE 67 -2.992 1.517 -7.491 555 HD12 ILE 67 HD12 ILE 67 -2.812 -0.219 -7.254 556 HD13 ILE 67 HD13 ILE 67 -4.407 0.465 -7.541 557 H ASN 68 H ASN 68 0.335 1.533 -11.846 558 HA ASN 68 HA ASN 68 2.288 -0.663 -11.943 559 HB2 ASN 68 HB2 ASN 68 2.887 1.894 -13.342 560 HB3 ASN 68 HB3 ASN 68 3.336 0.250 -13.761 561 HD21 ASN 68 HD21 ASN 68 1.079 2.775 -14.135 562 HD22 ASN 68 HD22 ASN 68 0.089 1.999 -15.308 563 H GLU 69 H GLU 69 4.478 0.037 -11.368 564 HA GLU 69 HA GLU 69 4.439 1.508 -8.945 565 HB2 GLU 69 HB2 GLU 69 6.929 1.184 -9.037 566 HB3 GLU 69 HB3 GLU 69 5.994 -0.300 -9.157 567 HG2 GLU 69 HG2 GLU 69 6.292 -0.222 -11.620 568 HG3 GLU 69 HG3 GLU 69 7.337 1.181 -11.406 569 H THR 70 H THR 70 4.736 2.384 -12.204 570 HA THR 70 HA THR 70 6.296 4.732 -11.766 571 HB THR 70 HB THR 70 5.731 5.103 -14.218 572 HG1 THR 70 HG1 THR 70 4.718 3.403 -15.263 573 HG21 THR 70 HG21 THR 70 7.062 2.531 -13.358 574 HG22 THR 70 HG22 THR 70 7.837 4.113 -13.463 575 HG23 THR 70 HG23 THR 70 7.271 3.308 -14.928 576 H ASP 71 H ASP 71 2.912 4.007 -11.464 577 HA ASP 71 HA ASP 71 2.099 6.589 -12.356 578 HB2 ASP 71 HB2 ASP 71 0.864 4.036 -11.677 579 HB3 ASP 71 HB3 ASP 71 -0.062 5.430 -11.150 580 H THR 72 H THR 72 0.783 7.977 -10.999 581 HA THR 72 HA THR 72 1.654 7.966 -8.190 582 HB THR 72 HB THR 72 0.827 10.473 -8.456 583 HG1 THR 72 HG1 THR 72 1.754 9.863 -11.084 584 HG21 THR 72 HG21 THR 72 3.501 9.444 -9.406 585 HG22 THR 72 HG22 THR 72 3.040 9.864 -7.751 586 HG23 THR 72 HG23 THR 72 3.148 11.121 -8.982 587 HA PRO 73 HA PRO 73 -2.513 7.549 -6.752 588 HB2 PRO 73 HB2 PRO 73 -2.555 9.505 -4.789 589 HB3 PRO 73 HB3 PRO 73 -1.886 7.885 -4.572 590 HG2 PRO 73 HG2 PRO 73 -0.469 10.444 -5.229 591 HG3 PRO 73 HG3 PRO 73 0.009 9.156 -4.103 592 HD2 PRO 73 HD2 PRO 73 1.106 9.412 -6.505 593 HD3 PRO 73 HD3 PRO 73 0.767 7.803 -5.828 594 H ALA 74 H ALA 74 -1.317 10.738 -7.561 595 HA ALA 74 HA ALA 74 -3.888 11.974 -7.679 596 HB1 ALA 74 HB1 ALA 74 -2.679 13.879 -8.624 597 HB2 ALA 74 HB2 ALA 74 -1.234 12.876 -8.781 598 HB3 ALA 74 HB3 ALA 74 -1.877 13.251 -7.180 599 H GLN 75 H GLN 75 -2.060 10.000 -9.803 600 HA GLN 75 HA GLN 75 -3.007 10.978 -12.295 601 HB2 GLN 75 HB2 GLN 75 -1.100 9.201 -11.590 602 HB3 GLN 75 HB3 GLN 75 -2.396 8.103 -11.986 603 HG2 GLN 75 HG2 GLN 75 -0.824 8.606 -13.858 604 HG3 GLN 75 HG3 GLN 75 -2.536 8.852 -14.203 605 HE21 GLN 75 HE21 GLN 75 0.497 10.429 -13.543 606 HE22 GLN 75 HE22 GLN 75 0.050 11.980 -14.165 607 H LEU 76 H LEU 76 -4.037 8.454 -10.088 608 HA LEU 76 HA LEU 76 -6.304 7.759 -11.735 609 HB2 LEU 76 HB2 LEU 76 -5.973 6.816 -8.924 610 HB3 LEU 76 HB3 LEU 76 -6.624 5.967 -10.312 611 HG LEU 76 HG LEU 76 -4.003 6.302 -11.048 612 HD11 LEU 76 HD11 LEU 76 -3.412 7.227 -8.902 613 HD12 LEU 76 HD12 LEU 76 -2.653 5.652 -9.144 614 HD13 LEU 76 HD13 LEU 76 -4.060 5.801 -8.090 615 HD21 LEU 76 HD21 LEU 76 -3.758 3.949 -10.587 616 HD22 LEU 76 HD22 LEU 76 -5.393 4.248 -11.174 617 HD23 LEU 76 HD23 LEU 76 -5.107 3.989 -9.455 618 H GLU 77 H GLU 77 -5.664 10.345 -10.006 619 HA GLU 77 HA GLU 77 -6.714 11.847 -8.689 620 HB2 GLU 77 HB2 GLU 77 -9.087 12.386 -9.588 621 HB3 GLU 77 HB3 GLU 77 -7.703 12.599 -10.643 622 HG2 GLU 77 HG2 GLU 77 -8.218 10.319 -11.579 623 HG3 GLU 77 HG3 GLU 77 -9.731 10.387 -10.677 624 H MET 78 H MET 78 -6.567 9.599 -7.332 625 HA MET 78 HA MET 78 -9.127 8.836 -6.262 626 HB2 MET 78 HB2 MET 78 -7.897 7.223 -4.988 627 HB3 MET 78 HB3 MET 78 -7.232 7.249 -6.617 628 HG2 MET 78 HG2 MET 78 -5.589 8.996 -5.503 629 HG3 MET 78 HG3 MET 78 -6.017 8.094 -4.053 630 HE1 MET 78 HE1 MET 78 -5.867 5.333 -4.042 631 HE2 MET 78 HE2 MET 78 -5.040 4.425 -5.310 632 HE3 MET 78 HE3 MET 78 -6.571 5.228 -5.656 633 H GLU 79 H GLU 79 -9.301 8.761 -3.795 634 HA GLU 79 HA GLU 79 -8.397 11.339 -2.697 635 HB2 GLU 79 HB2 GLU 79 -10.439 11.490 -1.487 636 HB3 GLU 79 HB3 GLU 79 -10.862 11.090 -3.145 637 HG2 GLU 79 HG2 GLU 79 -11.048 8.715 -2.465 638 HG3 GLU 79 HG3 GLU 79 -10.761 9.210 -0.805 639 H ASP 80 H ASP 80 -8.230 11.328 -0.219 640 HA ASP 80 HA ASP 80 -6.676 9.285 0.724 641 HB2 ASP 80 HB2 ASP 80 -7.159 10.236 2.983 642 HB3 ASP 80 HB3 ASP 80 -6.647 11.436 1.801 643 H GLU 81 H GLU 81 -6.965 7.580 1.940 644 HA GLU 81 HA GLU 81 -7.860 5.799 2.988 645 HB2 GLU 81 HB2 GLU 81 -10.399 7.419 3.016 646 HB3 GLU 81 HB3 GLU 81 -10.222 5.844 3.777 647 HG2 GLU 81 HG2 GLU 81 -8.386 6.802 5.162 648 HG3 GLU 81 HG3 GLU 81 -8.767 8.377 4.473 649 H ASP 82 H ASP 82 -8.099 6.454 -0.007 650 HA ASP 82 HA ASP 82 -10.281 4.800 -0.838 651 HB2 ASP 82 HB2 ASP 82 -8.789 6.624 -2.169 652 HB3 ASP 82 HB3 ASP 82 -8.025 5.135 -2.727 653 H THR 83 H THR 83 -10.020 2.716 -2.003 654 HA THR 83 HA THR 83 -7.965 1.151 -0.595 655 HB THR 83 HB THR 83 -10.692 0.198 -1.482 656 HG1 THR 83 HG1 THR 83 -10.586 1.757 0.306 657 HG21 THR 83 HG21 THR 83 -9.019 -1.601 -1.385 658 HG22 THR 83 HG22 THR 83 -10.185 -1.757 -0.071 659 HG23 THR 83 HG23 THR 83 -8.579 -1.105 0.250 660 H ILE 84 H ILE 84 -6.698 -0.198 -1.639 661 HA ILE 84 HA ILE 84 -6.811 -0.325 -4.566 662 HB ILE 84 HB ILE 84 -4.620 -1.203 -2.670 663 HG12 ILE 84 HG12 ILE 84 -4.961 1.216 -2.506 664 HG13 ILE 84 HG13 ILE 84 -3.431 0.845 -3.293 665 HG21 ILE 84 HG21 ILE 84 -4.421 -2.367 -4.714 666 HG22 ILE 84 HG22 ILE 84 -3.205 -1.084 -4.705 667 HG23 ILE 84 HG23 ILE 84 -4.685 -0.892 -5.649 668 HD11 ILE 84 HD11 ILE 84 -4.539 2.690 -4.374 669 HD12 ILE 84 HD12 ILE 84 -5.972 1.699 -4.650 670 HD13 ILE 84 HD13 ILE 84 -4.453 1.304 -5.461 671 H ASP 85 H ASP 85 -7.100 -2.278 -5.634 672 HA ASP 85 HA ASP 85 -7.743 -4.597 -3.957 673 HB2 ASP 85 HB2 ASP 85 -9.402 -3.865 -5.684 674 HB3 ASP 85 HB3 ASP 85 -8.200 -4.222 -6.921 675 H VAL 86 H VAL 86 -6.270 -6.101 -3.690 676 HA VAL 86 HA VAL 86 -4.206 -6.442 -5.770 677 HB VAL 86 HB VAL 86 -4.029 -7.087 -2.820 678 HG11 VAL 86 HG11 VAL 86 -2.773 -8.685 -4.205 679 HG12 VAL 86 HG12 VAL 86 -1.702 -7.655 -3.258 680 HG13 VAL 86 HG13 VAL 86 -1.933 -7.339 -4.978 681 HG21 VAL 86 HG21 VAL 86 -2.640 -4.997 -4.473 682 HG22 VAL 86 HG22 VAL 86 -2.364 -5.316 -2.761 683 HG23 VAL 86 HG23 VAL 86 -3.928 -4.710 -3.306 684 H PHE 87 H PHE 87 -3.843 -8.437 -6.575 685 HA PHE 87 HA PHE 87 -5.376 -10.669 -5.512 686 HB2 PHE 87 HB2 PHE 87 -5.974 -11.288 -7.925 687 HB3 PHE 87 HB3 PHE 87 -6.883 -9.978 -7.185 688 HD1 PHE 87 HD1 PHE 87 -6.500 -7.652 -7.871 689 HD2 PHE 87 HD2 PHE 87 -4.534 -10.909 -9.781 690 HE1 PHE 87 HE1 PHE 87 -5.917 -6.200 -9.746 691 HE2 PHE 87 HE2 PHE 87 -3.951 -9.442 -11.670 692 HZ PHE 87 HZ PHE 87 -4.645 -7.083 -11.650 693 H GLN 88 H GLN 88 -4.559 -12.743 -6.178 694 HA GLN 88 HA GLN 88 -1.694 -12.671 -6.334 695 HB2 GLN 88 HB2 GLN 88 -3.088 -14.236 -4.889 696 HB3 GLN 88 HB3 GLN 88 -3.421 -15.133 -6.363 697 HG2 GLN 88 HG2 GLN 88 -1.612 -16.311 -5.748 698 HG3 GLN 88 HG3 GLN 88 -0.746 -14.972 -6.504 699 HE21 GLN 88 HE21 GLN 88 -1.571 -13.174 -4.260 700 HE22 GLN 88 HE22 GLN 88 -0.512 -13.596 -2.964 701 H GLN 89 H GLN 89 -0.648 -12.550 -8.156 702 HA GLN 89 HA GLN 89 -1.672 -13.905 -10.568 703 HB2 GLN 89 HB2 GLN 89 0.080 -11.495 -10.205 704 HB3 GLN 89 HB3 GLN 89 0.072 -12.385 -11.723 705 HG2 GLN 89 HG2 GLN 89 -2.333 -11.139 -10.419 706 HG3 GLN 89 HG3 GLN 89 -1.425 -10.455 -11.767 707 HE21 GLN 89 HE21 GLN 89 -4.229 -11.316 -11.571 708 HE22 GLN 89 HE22 GLN 89 -4.449 -12.456 -12.847 709 H GLN 90 H GLN 90 -0.061 -14.894 -8.255 710 HA GLN 90 HA GLN 90 2.590 -15.432 -8.861 711 HB2 GLN 90 HB2 GLN 90 1.711 -15.852 -6.681 712 HB3 GLN 90 HB3 GLN 90 0.541 -16.998 -7.311 713 HG2 GLN 90 HG2 GLN 90 2.378 -18.512 -7.909 714 HG3 GLN 90 HG3 GLN 90 3.527 -17.363 -7.225 715 HE21 GLN 90 HE21 GLN 90 0.397 -17.901 -5.821 716 HE22 GLN 90 HE22 GLN 90 0.948 -18.717 -4.406 717 H THR 91 H THR 91 3.490 -16.485 -10.469 718 HA THR 91 HA THR 91 1.938 -18.432 -12.008 719 HB THR 91 HB THR 91 2.996 -16.666 -13.318 720 HG1 THR 91 HG1 THR 91 4.180 -19.239 -13.594 721 HG21 THR 91 HG21 THR 91 5.611 -17.655 -12.165 722 HG22 THR 91 HG22 THR 91 4.845 -16.105 -11.818 723 HG23 THR 91 HG23 THR 91 5.448 -16.447 -13.441 724 H GLY 92 H GLY 92 2.895 -19.161 -9.425 725 HA2 GLY 92 HA2 GLY 92 4.329 -21.556 -10.070 726 HA3 GLY 92 HA3 GLY 92 5.301 -20.415 -9.149 727 H GLY 93 H GLY 93 1.833 -21.139 -8.937 728 HA2 GLY 93 HA2 GLY 93 2.076 -22.655 -6.560 729 HA3 GLY 93 HA3 GLY 93 1.659 -20.983 -6.202 Start of MODEL 11 1 H MET 1 H MET 1 8.768 36.105 -10.384 2 HA MET 1 HA MET 1 8.409 38.971 -11.008 3 HB2 MET 1 HB2 MET 1 8.513 38.270 -13.358 4 HB3 MET 1 HB3 MET 1 9.992 37.859 -12.505 5 HG2 MET 1 HG2 MET 1 9.281 35.545 -12.348 6 HG3 MET 1 HG3 MET 1 7.754 35.945 -13.133 7 HE1 MET 1 HE1 MET 1 8.164 33.996 -14.873 8 HE2 MET 1 HE2 MET 1 9.714 33.604 -14.132 9 HE3 MET 1 HE3 MET 1 9.608 33.858 -15.872 10 H ALA 2 H ALA 2 6.901 35.778 -10.826 11 HA ALA 2 HA ALA 2 4.434 36.756 -12.001 12 HB1 ALA 2 HB1 ALA 2 3.610 34.487 -11.644 13 HB2 ALA 2 HB2 ALA 2 5.061 34.095 -10.723 14 HB3 ALA 2 HB3 ALA 2 5.181 34.460 -12.444 15 H ASP 3 H ASP 3 5.773 37.466 -9.270 16 HA ASP 3 HA ASP 3 3.733 36.852 -7.330 17 HB2 ASP 3 HB2 ASP 3 5.815 38.978 -6.959 18 HB3 ASP 3 HB3 ASP 3 5.146 37.864 -5.775 19 H GLU 4 H GLU 4 4.286 39.202 -9.716 20 HA GLU 4 HA GLU 4 3.091 41.445 -8.504 21 HB2 GLU 4 HB2 GLU 4 4.576 41.611 -10.452 22 HB3 GLU 4 HB3 GLU 4 3.369 40.799 -11.439 23 HG2 GLU 4 HG2 GLU 4 1.837 42.637 -11.139 24 HG3 GLU 4 HG3 GLU 4 2.968 43.435 -10.049 25 H LYS 5 H LYS 5 1.224 41.034 -7.619 26 HA LYS 5 HA LYS 5 -1.048 40.933 -7.390 27 HB2 LYS 5 HB2 LYS 5 -0.753 42.488 -9.497 28 HB3 LYS 5 HB3 LYS 5 -1.424 41.115 -10.359 29 HG2 LYS 5 HG2 LYS 5 -2.807 42.344 -7.995 30 HG3 LYS 5 HG3 LYS 5 -3.021 42.950 -9.634 31 HD2 LYS 5 HD2 LYS 5 -3.811 40.738 -10.338 32 HD3 LYS 5 HD3 LYS 5 -3.608 40.146 -8.686 33 HE2 LYS 5 HE2 LYS 5 -5.941 40.744 -9.165 34 HE3 LYS 5 HE3 LYS 5 -5.251 41.742 -7.888 35 HZ1 LYS 5 HZ1 LYS 5 -4.918 43.513 -9.487 36 HZ2 LYS 5 HZ2 LYS 5 -6.544 43.044 -9.469 37 HZ3 LYS 5 HZ3 LYS 5 -5.538 42.551 -10.732 38 HA PRO 6 HA PRO 6 -1.163 36.511 -8.544 39 HB2 PRO 6 HB2 PRO 6 -1.350 35.496 -6.091 40 HB3 PRO 6 HB3 PRO 6 0.198 36.091 -6.708 41 HG2 PRO 6 HG2 PRO 6 -1.729 37.409 -4.839 42 HG3 PRO 6 HG3 PRO 6 0.042 37.360 -4.770 43 HD2 PRO 6 HD2 PRO 6 -1.438 39.477 -5.769 44 HD3 PRO 6 HD3 PRO 6 0.258 39.150 -6.172 45 H LYS 7 H LYS 7 -2.779 34.804 -7.374 46 HA LYS 7 HA LYS 7 -5.425 36.001 -7.705 47 HB2 LYS 7 HB2 LYS 7 -6.193 33.617 -7.925 48 HB3 LYS 7 HB3 LYS 7 -5.057 34.136 -9.157 49 HG2 LYS 7 HG2 LYS 7 -4.382 31.960 -8.576 50 HG3 LYS 7 HG3 LYS 7 -3.247 33.016 -7.743 51 HD2 LYS 7 HD2 LYS 7 -4.530 32.759 -5.671 52 HD3 LYS 7 HD3 LYS 7 -5.673 31.703 -6.501 53 HE2 LYS 7 HE2 LYS 7 -2.720 31.141 -6.213 54 HE3 LYS 7 HE3 LYS 7 -3.963 30.498 -5.142 55 HZ1 LYS 7 HZ1 LYS 7 -3.319 28.926 -6.873 56 HZ2 LYS 7 HZ2 LYS 7 -3.817 30.014 -8.070 57 HZ3 LYS 7 HZ3 LYS 7 -4.948 29.353 -7.004 58 H GLU 8 H GLU 8 -3.485 35.586 -5.202 59 HA GLU 8 HA GLU 8 -5.681 34.980 -3.362 60 HB2 GLU 8 HB2 GLU 8 -4.161 33.596 -2.007 61 HB3 GLU 8 HB3 GLU 8 -4.422 32.921 -3.609 62 HG2 GLU 8 HG2 GLU 8 -2.254 34.071 -4.272 63 HG3 GLU 8 HG3 GLU 8 -1.989 34.311 -2.546 64 H GLY 9 H GLY 9 -4.840 35.427 -1.019 65 HA2 GLY 9 HA2 GLY 9 -3.599 38.084 -1.108 66 HA3 GLY 9 HA3 GLY 9 -4.598 37.459 0.199 67 H VAL 10 H VAL 10 -3.557 35.194 0.965 68 HA VAL 10 HA VAL 10 -0.763 35.829 1.579 69 HB VAL 10 HB VAL 10 -2.170 35.869 3.584 70 HG11 VAL 10 HG11 VAL 10 -2.862 33.016 2.915 71 HG12 VAL 10 HG12 VAL 10 -3.958 34.397 2.939 72 HG13 VAL 10 HG13 VAL 10 -3.235 33.820 4.439 73 HG21 VAL 10 HG21 VAL 10 0.124 35.138 3.845 74 HG22 VAL 10 HG22 VAL 10 -0.347 33.470 3.509 75 HG23 VAL 10 HG23 VAL 10 -0.923 34.272 4.970 76 H LYS 11 H LYS 11 0.698 34.575 0.742 77 HA LYS 11 HA LYS 11 0.004 32.201 -0.716 78 HB2 LYS 11 HB2 LYS 11 1.787 33.892 -1.377 79 HB3 LYS 11 HB3 LYS 11 2.781 33.239 -0.089 80 HG2 LYS 11 HG2 LYS 11 1.710 31.466 -2.263 81 HG3 LYS 11 HG3 LYS 11 3.160 32.432 -2.508 82 HD2 LYS 11 HD2 LYS 11 2.825 30.512 -0.203 83 HD3 LYS 11 HD3 LYS 11 3.541 30.050 -1.750 84 HE2 LYS 11 HE2 LYS 11 5.253 31.782 -1.464 85 HE3 LYS 11 HE3 LYS 11 4.540 32.234 0.082 86 HZ1 LYS 11 HZ1 LYS 11 5.673 29.554 -0.547 87 HZ2 LYS 11 HZ2 LYS 11 5.081 30.074 0.955 88 HZ3 LYS 11 HZ3 LYS 11 6.474 30.777 0.309 89 H THR 12 H THR 12 0.014 30.159 0.037 90 HA THR 12 HA THR 12 1.647 29.527 2.363 91 HB THR 12 HB THR 12 -0.518 30.116 3.332 92 HG1 THR 12 HG1 THR 12 0.385 28.484 4.464 93 HG21 THR 12 HG21 THR 12 -1.657 27.966 1.538 94 HG22 THR 12 HG22 THR 12 -1.957 29.699 1.401 95 HG23 THR 12 HG23 THR 12 -2.543 28.810 2.808 96 H GLU 13 H GLU 13 2.487 27.517 2.329 97 HA GLU 13 HA GLU 13 1.620 25.687 0.179 98 HB2 GLU 13 HB2 GLU 13 4.358 26.163 1.341 99 HB3 GLU 13 HB3 GLU 13 3.968 24.859 0.230 100 HG2 GLU 13 HG2 GLU 13 3.503 26.375 -1.528 101 HG3 GLU 13 HG3 GLU 13 3.533 27.753 -0.429 102 H ASN 14 H ASN 14 0.426 24.213 0.991 103 HA ASN 14 HA ASN 14 1.195 23.042 3.549 104 HB2 ASN 14 HB2 ASN 14 -1.461 23.206 2.118 105 HB3 ASN 14 HB3 ASN 14 -1.180 22.080 3.438 106 HD21 ASN 14 HD21 ASN 14 0.191 25.296 3.289 107 HD22 ASN 14 HD22 ASN 14 -0.727 25.966 4.584 108 H ASN 15 H ASN 15 1.753 21.030 3.599 109 HA ASN 15 HA ASN 15 2.387 19.660 1.204 110 HB2 ASN 15 HB2 ASN 15 3.051 19.380 3.933 111 HB3 ASN 15 HB3 ASN 15 2.374 17.838 3.409 112 HD21 ASN 15 HD21 ASN 15 4.063 20.112 1.342 113 HD22 ASN 15 HD22 ASN 15 5.428 19.089 1.048 114 H ASP 16 H ASP 16 0.827 19.070 -0.063 115 HA ASP 16 HA ASP 16 -1.671 18.060 0.925 116 HB2 ASP 16 HB2 ASP 16 -1.586 19.480 -1.075 117 HB3 ASP 16 HB3 ASP 16 -0.659 18.238 -1.912 118 H HIS 17 H HIS 17 -1.364 16.187 1.928 119 HA HIS 17 HA HIS 17 -0.396 13.958 0.286 120 HB2 HIS 17 HB2 HIS 17 0.482 12.876 2.298 121 HB3 HIS 17 HB3 HIS 17 1.213 14.460 2.079 122 HD1 HIS 17 HD1 HIS 17 0.276 16.391 3.720 123 HD2 HIS 17 HD2 HIS 17 -0.753 12.475 4.704 124 HE1 HIS 17 HE1 HIS 17 -0.439 16.467 6.116 125 HE2 HIS 17 HE2 HIS 17 -1.286 14.144 6.604 126 H ILE 18 H ILE 18 -1.344 11.894 0.726 127 HA ILE 18 HA ILE 18 -4.000 12.091 1.955 128 HB ILE 18 HB ILE 18 -4.936 10.675 0.140 129 HG12 ILE 18 HG12 ILE 18 -2.398 11.353 -1.361 130 HG13 ILE 18 HG13 ILE 18 -2.713 9.791 -0.618 131 HG21 ILE 18 HG21 ILE 18 -5.148 12.473 -1.525 132 HG22 ILE 18 HG22 ILE 18 -3.819 13.333 -0.747 133 HG23 ILE 18 HG23 ILE 18 -5.328 13.072 0.126 134 HD11 ILE 18 HD11 ILE 18 -4.673 9.522 -2.075 135 HD12 ILE 18 HD12 ILE 18 -3.168 9.692 -2.973 136 HD13 ILE 18 HD13 ILE 18 -4.281 11.058 -2.854 137 H ASN 19 H ASN 19 -4.973 9.886 2.205 138 HA ASN 19 HA ASN 19 -2.918 8.006 3.127 139 HB2 ASN 19 HB2 ASN 19 -4.472 8.689 4.879 140 HB3 ASN 19 HB3 ASN 19 -5.850 8.322 3.852 141 HD21 ASN 19 HD21 ASN 19 -3.391 7.020 5.918 142 HD22 ASN 19 HD22 ASN 19 -4.031 5.422 6.003 143 H LEU 20 H LEU 20 -2.868 5.958 2.318 144 HA LEU 20 HA LEU 20 -4.958 5.252 0.378 145 HB2 LEU 20 HB2 LEU 20 -1.982 4.830 0.105 146 HB3 LEU 20 HB3 LEU 20 -3.156 3.968 -0.864 147 HG LEU 20 HG LEU 20 -2.362 5.703 -2.241 148 HD11 LEU 20 HD11 LEU 20 -4.275 7.107 -2.655 149 HD12 LEU 20 HD12 LEU 20 -4.936 6.715 -1.070 150 HD13 LEU 20 HD13 LEU 20 -4.782 5.455 -2.295 151 HD21 LEU 20 HD21 LEU 20 -1.271 7.011 -0.478 152 HD22 LEU 20 HD22 LEU 20 -2.844 7.652 0.001 153 HD23 LEU 20 HD23 LEU 20 -2.188 8.018 -1.597 154 H LYS 21 H LYS 21 -5.751 3.231 0.536 155 HA LYS 21 HA LYS 21 -4.439 1.473 2.481 156 HB2 LYS 21 HB2 LYS 21 -7.415 1.875 2.106 157 HB3 LYS 21 HB3 LYS 21 -6.673 0.709 3.196 158 HG2 LYS 21 HG2 LYS 21 -5.594 2.592 4.401 159 HG3 LYS 21 HG3 LYS 21 -6.466 3.703 3.355 160 HD2 LYS 21 HD2 LYS 21 -7.820 1.668 5.124 161 HD3 LYS 21 HD3 LYS 21 -7.535 3.345 5.586 162 HE2 LYS 21 HE2 LYS 21 -8.778 3.992 3.493 163 HE3 LYS 21 HE3 LYS 21 -9.257 2.307 3.348 164 HZ1 LYS 21 HZ1 LYS 21 -10.962 3.593 4.474 165 HZ2 LYS 21 HZ2 LYS 21 -9.858 4.118 5.641 166 HZ3 LYS 21 HZ3 LYS 21 -10.292 2.484 5.561 167 H VAL 22 H VAL 22 -4.392 -0.670 1.965 168 HA VAL 22 HA VAL 22 -5.312 -1.314 -0.754 169 HB VAL 22 HB VAL 22 -2.663 -2.180 0.379 170 HG11 VAL 22 HG11 VAL 22 -3.618 -3.825 -1.057 171 HG12 VAL 22 HG12 VAL 22 -2.171 -3.100 -1.743 172 HG13 VAL 22 HG13 VAL 22 -3.755 -2.629 -2.341 173 HG21 VAL 22 HG21 VAL 22 -1.532 -0.687 -0.905 174 HG22 VAL 22 HG22 VAL 22 -2.901 0.262 -0.319 175 HG23 VAL 22 HG23 VAL 22 -2.911 -0.406 -1.955 176 H ALA 23 H ALA 23 -6.332 -3.189 -0.955 177 HA ALA 23 HA ALA 23 -6.427 -4.953 1.417 178 HB1 ALA 23 HB1 ALA 23 -8.640 -4.371 -0.561 179 HB2 ALA 23 HB2 ALA 23 -8.538 -3.761 1.091 180 HB3 ALA 23 HB3 ALA 23 -8.738 -5.488 0.801 181 H GLY 24 H GLY 24 -6.090 -7.097 1.056 182 HA2 GLY 24 HA2 GLY 24 -5.678 -7.907 -1.758 183 HA3 GLY 24 HA3 GLY 24 -4.618 -8.428 -0.458 184 H GLN 25 H GLN 25 -5.835 -10.203 -2.193 185 HA GLN 25 HA GLN 25 -8.266 -11.295 -1.226 186 HB2 GLN 25 HB2 GLN 25 -6.102 -12.836 -2.659 187 HB3 GLN 25 HB3 GLN 25 -7.825 -13.178 -2.635 188 HG2 GLN 25 HG2 GLN 25 -6.476 -10.851 -3.945 189 HG3 GLN 25 HG3 GLN 25 -7.172 -12.250 -4.767 190 HE21 GLN 25 HE21 GLN 25 -7.728 -9.214 -3.304 191 HE22 GLN 25 HE22 GLN 25 -9.408 -9.088 -3.652 192 H ASP 26 H ASP 26 -5.171 -11.279 0.039 193 HA ASP 26 HA ASP 26 -5.224 -13.797 1.386 194 HB2 ASP 26 HB2 ASP 26 -3.442 -11.373 1.620 195 HB3 ASP 26 HB3 ASP 26 -3.244 -12.801 2.630 196 H GLY 27 H GLY 27 -7.244 -11.312 1.849 197 HA2 GLY 27 HA2 GLY 27 -8.617 -10.802 3.585 198 HA3 GLY 27 HA3 GLY 27 -7.849 -12.087 4.500 199 H SER 28 H SER 28 -6.233 -9.254 3.161 200 HA SER 28 HA SER 28 -6.051 -8.134 5.840 201 HB2 SER 28 HB2 SER 28 -4.130 -9.642 5.632 202 HB3 SER 28 HB3 SER 28 -3.625 -8.801 4.168 203 HG SER 28 HG SER 28 -2.549 -7.619 5.481 204 H VAL 29 H VAL 29 -5.099 -5.957 5.861 205 HA VAL 29 HA VAL 29 -5.067 -4.503 3.358 206 HB VAL 29 HB VAL 29 -7.419 -4.374 3.802 207 HG11 VAL 29 HG11 VAL 29 -8.341 -3.549 5.909 208 HG12 VAL 29 HG12 VAL 29 -6.713 -3.516 6.593 209 HG13 VAL 29 HG13 VAL 29 -7.437 -5.050 6.104 210 HG21 VAL 29 HG21 VAL 29 -6.433 -2.277 3.056 211 HG22 VAL 29 HG22 VAL 29 -6.119 -1.812 4.728 212 HG23 VAL 29 HG23 VAL 29 -7.779 -1.965 4.155 213 H VAL 30 H VAL 30 -3.803 -2.683 3.458 214 HA VAL 30 HA VAL 30 -2.696 -1.990 6.106 215 HB VAL 30 HB VAL 30 -1.100 -1.817 3.558 216 HG11 VAL 30 HG11 VAL 30 -0.232 -1.909 6.442 217 HG12 VAL 30 HG12 VAL 30 -0.399 -0.444 5.476 218 HG13 VAL 30 HG13 VAL 30 0.804 -1.654 5.035 219 HG21 VAL 30 HG21 VAL 30 -1.114 -4.102 5.531 220 HG22 VAL 30 HG22 VAL 30 0.009 -3.904 4.182 221 HG23 VAL 30 HG23 VAL 30 -1.706 -4.149 3.869 222 H GLN 31 H GLN 31 -2.415 0.168 6.545 223 HA GLN 31 HA GLN 31 -3.455 2.015 4.523 224 HB2 GLN 31 HB2 GLN 31 -3.222 2.428 7.510 225 HB3 GLN 31 HB3 GLN 31 -3.982 3.526 6.375 226 HG2 GLN 31 HG2 GLN 31 -5.837 2.491 7.227 227 HG3 GLN 31 HG3 GLN 31 -5.485 1.429 5.869 228 HE21 GLN 31 HE21 GLN 31 -4.901 -0.652 6.233 229 HE22 GLN 31 HE22 GLN 31 -4.897 -1.385 7.799 230 H PHE 32 H PHE 32 -2.332 3.856 3.924 231 HA PHE 32 HA PHE 32 0.367 4.251 5.070 232 HB2 PHE 32 HB2 PHE 32 -0.175 4.378 2.100 233 HB3 PHE 32 HB3 PHE 32 1.381 4.403 2.915 234 HD1 PHE 32 HD1 PHE 32 -1.478 2.296 1.955 235 HD2 PHE 32 HD2 PHE 32 2.486 2.383 3.510 236 HE1 PHE 32 HE1 PHE 32 -1.308 -0.124 1.634 237 HE2 PHE 32 HE2 PHE 32 2.662 -0.051 3.191 238 HZ PHE 32 HZ PHE 32 0.757 -1.307 2.251 239 HH31 ALY 33 HH31 ALY 33 -5.795 12.266 5.060 240 HH32 ALY 33 HH32 ALY 33 -4.496 12.145 3.857 241 HH33 ALY 33 HH33 ALY 33 -4.930 13.715 4.568 242 HZ ALY 33 HZ ALY 33 -4.356 10.605 6.403 243 HE3 ALY 33 HE3 ALY 33 -1.521 11.168 5.903 244 HE2 ALY 33 HE2 ALY 33 -2.081 10.787 7.530 245 HD3 ALY 33 HD3 ALY 33 -2.994 8.646 6.629 246 HD2 ALY 33 HD2 ALY 33 -2.219 9.048 5.093 247 HG3 ALY 33 HG3 ALY 33 -0.649 8.915 7.647 248 HG2 ALY 33 HG2 ALY 33 -0.974 7.470 6.689 249 HB3 ALY 33 HB3 ALY 33 0.324 9.956 5.612 250 HB2 ALY 33 HB2 ALY 33 1.213 8.581 6.243 251 HCA ALY 33 HCA ALY 33 -0.700 8.432 3.894 252 H ALY 33 H ALY 33 1.216 6.382 4.806 253 H ILE 34 H ILE 34 0.099 9.086 1.987 254 HA ILE 34 HA ILE 34 2.914 9.929 1.885 255 HB ILE 34 HB ILE 34 3.293 8.950 -0.279 256 HG12 ILE 34 HG12 ILE 34 0.521 7.753 -0.144 257 HG13 ILE 34 HG13 ILE 34 0.919 9.193 -1.074 258 HG21 ILE 34 HG21 ILE 34 3.766 7.491 1.601 259 HG22 ILE 34 HG22 ILE 34 3.175 6.539 0.237 260 HG23 ILE 34 HG23 ILE 34 2.101 6.908 1.590 261 HD11 ILE 34 HD11 ILE 34 0.830 7.183 -2.462 262 HD12 ILE 34 HD12 ILE 34 2.114 6.462 -1.491 263 HD13 ILE 34 HD13 ILE 34 2.440 7.901 -2.453 264 H LYS 35 H LYS 35 3.312 11.321 -0.058 265 HA LYS 35 HA LYS 35 1.214 13.245 -0.290 266 HB2 LYS 35 HB2 LYS 35 3.884 13.020 -1.674 267 HB3 LYS 35 HB3 LYS 35 2.782 14.368 -1.883 268 HG2 LYS 35 HG2 LYS 35 2.979 14.902 0.486 269 HG3 LYS 35 HG3 LYS 35 4.076 13.535 0.702 270 HD2 LYS 35 HD2 LYS 35 4.595 15.769 -1.235 271 HD3 LYS 35 HD3 LYS 35 5.175 15.798 0.433 272 HE2 LYS 35 HE2 LYS 35 5.827 13.686 -1.631 273 HE3 LYS 35 HE3 LYS 35 6.888 15.011 -1.155 274 HZ1 LYS 35 HZ1 LYS 35 7.461 12.965 -0.022 275 HZ2 LYS 35 HZ2 LYS 35 5.915 12.855 0.635 276 HZ3 LYS 35 HZ3 LYS 35 6.935 14.121 1.088 277 H ARG 36 H ARG 36 -0.136 13.595 -2.015 278 HA ARG 36 HA ARG 36 -0.613 11.396 -3.747 279 HB2 ARG 36 HB2 ARG 36 -2.305 12.872 -4.822 280 HB3 ARG 36 HB3 ARG 36 -2.487 12.747 -3.085 281 HG2 ARG 36 HG2 ARG 36 -2.785 14.995 -3.383 282 HG3 ARG 36 HG3 ARG 36 -1.049 14.929 -3.085 283 HD2 ARG 36 HD2 ARG 36 -0.634 14.959 -5.497 284 HD3 ARG 36 HD3 ARG 36 -2.370 15.050 -5.790 285 HE ARG 36 HE ARG 36 -1.737 17.125 -4.083 286 HH11 ARG 36 HH11 ARG 36 -0.982 16.144 -7.373 287 HH12 ARG 36 HH12 ARG 36 -0.737 17.754 -7.938 288 HH21 ARG 36 HH21 ARG 36 -1.429 19.260 -4.833 289 HH22 ARG 36 HH22 ARG 36 -0.989 19.546 -6.480 290 H HIS 37 H HIS 37 1.616 13.861 -3.862 291 HA HIS 37 HA HIS 37 1.804 13.836 -6.772 292 HB2 HIS 37 HB2 HIS 37 1.760 16.047 -5.690 293 HB3 HIS 37 HB3 HIS 37 3.138 15.622 -4.696 294 HD1 HIS 37 HD1 HIS 37 4.641 17.490 -5.587 295 HD2 HIS 37 HD2 HIS 37 3.149 15.035 -8.597 296 HE1 HIS 37 HE1 HIS 37 5.913 18.111 -7.662 297 HE2 HIS 37 HE2 HIS 37 4.891 16.720 -9.494 298 H THR 38 H THR 38 2.738 12.070 -4.268 299 HA THR 38 HA THR 38 5.455 11.499 -5.172 300 HB THR 38 HB THR 38 4.005 11.385 -2.606 301 HG1 THR 38 HG1 THR 38 6.567 11.951 -3.547 302 HG21 THR 38 HG21 THR 38 4.336 8.950 -3.038 303 HG22 THR 38 HG22 THR 38 5.210 9.540 -1.625 304 HG23 THR 38 HG23 THR 38 6.077 9.239 -3.137 305 HA PRO 39 HA PRO 39 4.096 7.843 -7.290 306 HB2 PRO 39 HB2 PRO 39 6.267 6.217 -6.846 307 HB3 PRO 39 HB3 PRO 39 6.221 7.492 -8.068 308 HG2 PRO 39 HG2 PRO 39 7.367 7.551 -5.303 309 HG3 PRO 39 HG3 PRO 39 8.058 8.183 -6.813 310 HD2 PRO 39 HD2 PRO 39 6.886 9.813 -5.052 311 HD3 PRO 39 HD3 PRO 39 6.679 10.062 -6.800 312 H LEU 40 H LEU 40 2.734 6.296 -6.697 313 HA LEU 40 HA LEU 40 2.451 5.551 -3.976 314 HB2 LEU 40 HB2 LEU 40 0.711 3.924 -4.929 315 HB3 LEU 40 HB3 LEU 40 0.422 5.641 -5.077 316 HG LEU 40 HG LEU 40 1.251 5.497 -7.445 317 HD11 LEU 40 HD11 LEU 40 1.073 2.533 -6.950 318 HD12 LEU 40 HD12 LEU 40 2.545 3.449 -7.269 319 HD13 LEU 40 HD13 LEU 40 1.305 3.311 -8.515 320 HD21 LEU 40 HD21 LEU 40 -0.814 4.520 -8.302 321 HD22 LEU 40 HD22 LEU 40 -1.116 5.565 -6.914 322 HD23 LEU 40 HD23 LEU 40 -1.135 3.811 -6.719 323 H SER 41 H SER 41 4.393 4.327 -6.455 324 HA SER 41 HA SER 41 4.505 1.611 -6.067 325 HB2 SER 41 HB2 SER 41 7.133 2.311 -6.492 326 HB3 SER 41 HB3 SER 41 5.922 2.081 -7.751 327 HG SER 41 HG SER 41 6.391 4.105 -8.181 328 H LYS 42 H LYS 42 5.732 4.143 -4.041 329 HA LYS 42 HA LYS 42 7.562 2.690 -2.470 330 HB2 LYS 42 HB2 LYS 42 5.824 5.037 -1.681 331 HB3 LYS 42 HB3 LYS 42 7.225 4.464 -0.791 332 HG2 LYS 42 HG2 LYS 42 8.700 5.100 -2.559 333 HG3 LYS 42 HG3 LYS 42 7.346 5.454 -3.631 334 HD2 LYS 42 HD2 LYS 42 8.276 7.518 -2.752 335 HD3 LYS 42 HD3 LYS 42 6.647 7.271 -2.126 336 HE2 LYS 42 HE2 LYS 42 8.048 8.044 -0.337 337 HE3 LYS 42 HE3 LYS 42 7.648 6.356 -0.042 338 HZ1 LYS 42 HZ1 LYS 42 9.974 6.798 0.395 339 HZ2 LYS 42 HZ2 LYS 42 10.197 7.371 -1.172 340 HZ3 LYS 42 HZ3 LYS 42 9.831 5.740 -0.917 341 H LEU 43 H LEU 43 4.098 3.336 -2.027 342 HA LEU 43 HA LEU 43 3.941 1.819 0.389 343 HB2 LEU 43 HB2 LEU 43 1.643 2.322 0.441 344 HB3 LEU 43 HB3 LEU 43 2.410 3.735 -0.246 345 HG LEU 43 HG LEU 43 1.733 2.574 -2.529 346 HD11 LEU 43 HD11 LEU 43 -0.405 1.416 -2.374 347 HD12 LEU 43 HD12 LEU 43 -0.341 1.511 -0.614 348 HD13 LEU 43 HD13 LEU 43 0.844 0.542 -1.484 349 HD21 LEU 43 HD21 LEU 43 -0.362 3.869 -2.479 350 HD22 LEU 43 HD22 LEU 43 1.013 4.773 -1.846 351 HD23 LEU 43 HD23 LEU 43 -0.168 4.075 -0.739 352 H MET 44 H MET 44 3.459 1.127 -3.011 353 HA MET 44 HA MET 44 2.035 -1.281 -2.697 354 HB2 MET 44 HB2 MET 44 3.870 -0.434 -4.942 355 HB3 MET 44 HB3 MET 44 2.835 -1.852 -4.988 356 HG2 MET 44 HG2 MET 44 0.924 -0.179 -4.504 357 HG3 MET 44 HG3 MET 44 2.079 1.036 -5.044 358 HE1 MET 44 HE1 MET 44 3.240 0.935 -7.523 359 HE2 MET 44 HE2 MET 44 2.853 -0.320 -8.699 360 HE3 MET 44 HE3 MET 44 3.701 -0.739 -7.212 361 H LYS 45 H LYS 45 5.534 -0.729 -3.132 362 HA LYS 45 HA LYS 45 6.177 -3.455 -2.807 363 HB2 LYS 45 HB2 LYS 45 7.839 -0.970 -2.525 364 HB3 LYS 45 HB3 LYS 45 8.498 -2.592 -2.339 365 HG2 LYS 45 HG2 LYS 45 7.483 -3.056 -4.641 366 HG3 LYS 45 HG3 LYS 45 7.360 -1.304 -4.784 367 HD2 LYS 45 HD2 LYS 45 9.722 -1.050 -4.541 368 HD3 LYS 45 HD3 LYS 45 9.908 -2.757 -4.123 369 HE2 LYS 45 HE2 LYS 45 9.193 -3.411 -6.333 370 HE3 LYS 45 HE3 LYS 45 8.907 -1.727 -6.766 371 HZ1 LYS 45 HZ1 LYS 45 11.561 -2.860 -6.034 372 HZ2 LYS 45 HZ2 LYS 45 11.259 -1.281 -6.553 373 HZ3 LYS 45 HZ3 LYS 45 11.034 -2.576 -7.614 374 H ALA 46 H ALA 46 5.723 -0.831 -0.550 375 HA ALA 46 HA ALA 46 6.892 -2.094 1.701 376 HB1 ALA 46 HB1 ALA 46 5.678 -0.462 3.033 377 HB2 ALA 46 HB2 ALA 46 4.683 -0.040 1.637 378 HB3 ALA 46 HB3 ALA 46 6.412 0.315 1.626 379 H TYR 47 H TYR 47 3.674 -2.181 0.237 380 HA TYR 47 HA TYR 47 2.330 -3.545 2.254 381 HB2 TYR 47 HB2 TYR 47 1.109 -2.477 0.479 382 HB3 TYR 47 HB3 TYR 47 1.935 -3.438 -0.737 383 HD1 TYR 47 HD1 TYR 47 -0.695 -3.432 1.813 384 HD2 TYR 47 HD2 TYR 47 1.260 -5.735 -1.170 385 HE1 TYR 47 HE1 TYR 47 -2.537 -5.062 1.873 386 HE2 TYR 47 HE2 TYR 47 -0.570 -7.375 -1.127 387 HH TYR 47 HH TYR 47 -3.536 -6.764 0.422 388 H CYS 48 H CYS 48 3.839 -4.801 -0.748 389 HA CYS 48 HA CYS 48 3.309 -7.489 -0.146 390 HB2 CYS 48 HB2 CYS 48 4.937 -8.023 -1.934 391 HB3 CYS 48 HB3 CYS 48 3.756 -6.817 -2.422 392 HG CYS 48 HG CYS 48 6.326 -5.188 -1.255 393 H GLU 49 H GLU 49 6.074 -5.437 0.636 394 HA GLU 49 HA GLU 49 7.793 -7.463 1.528 395 HB2 GLU 49 HB2 GLU 49 7.573 -4.544 2.194 396 HB3 GLU 49 HB3 GLU 49 8.843 -5.577 2.846 397 HG2 GLU 49 HG2 GLU 49 8.312 -5.178 -0.078 398 HG3 GLU 49 HG3 GLU 49 9.494 -4.267 0.852 399 H ARG 50 H ARG 50 5.383 -5.514 3.243 400 HA ARG 50 HA ARG 50 6.055 -6.737 5.763 401 HB2 ARG 50 HB2 ARG 50 4.326 -5.354 6.718 402 HB3 ARG 50 HB3 ARG 50 5.281 -4.389 5.603 403 HG2 ARG 50 HG2 ARG 50 3.557 -4.586 3.913 404 HG3 ARG 50 HG3 ARG 50 2.600 -5.607 4.986 405 HD2 ARG 50 HD2 ARG 50 3.355 -2.723 5.450 406 HD3 ARG 50 HD3 ARG 50 1.776 -3.343 5.008 407 HE ARG 50 HE ARG 50 2.056 -4.668 7.225 408 HH11 ARG 50 HH11 ARG 50 3.106 -1.364 6.674 409 HH12 ARG 50 HH12 ARG 50 2.806 -0.862 8.296 410 HH21 ARG 50 HH21 ARG 50 1.652 -4.004 9.370 411 HH22 ARG 50 HH22 ARG 50 1.981 -2.369 9.837 412 H GLN 51 H GLN 51 3.609 -7.196 3.286 413 HA GLN 51 HA GLN 51 1.980 -8.904 4.919 414 HB2 GLN 51 HB2 GLN 51 1.953 -8.332 1.969 415 HB3 GLN 51 HB3 GLN 51 0.732 -9.285 2.818 416 HG2 GLN 51 HG2 GLN 51 1.430 -6.436 3.408 417 HG3 GLN 51 HG3 GLN 51 0.080 -6.957 2.406 418 HE21 GLN 51 HE21 GLN 51 1.388 -6.950 5.662 419 HE22 GLN 51 HE22 GLN 51 -0.110 -7.267 6.459 420 H GLY 52 H GLY 52 4.626 -9.318 2.824 421 HA2 GLY 52 HA2 GLY 52 5.969 -11.276 2.712 422 HA3 GLY 52 HA3 GLY 52 4.642 -12.181 3.432 423 H LEU 53 H LEU 53 4.471 -10.036 0.670 424 HA LEU 53 HA LEU 53 3.852 -12.347 -1.031 425 HB2 LEU 53 HB2 LEU 53 2.495 -9.653 -0.942 426 HB3 LEU 53 HB3 LEU 53 2.430 -10.671 -2.365 427 HG LEU 53 HG LEU 53 0.415 -10.936 -1.196 428 HD11 LEU 53 HD11 LEU 53 0.370 -13.325 -0.724 429 HD12 LEU 53 HD12 LEU 53 2.129 -13.346 -0.638 430 HD13 LEU 53 HD13 LEU 53 1.326 -12.974 -2.162 431 HD21 LEU 53 HD21 LEU 53 1.990 -11.630 1.266 432 HD22 LEU 53 HD22 LEU 53 0.231 -11.670 1.103 433 HD23 LEU 53 HD23 LEU 53 1.094 -10.135 0.982 434 H SER 54 H SER 54 4.361 -11.938 -3.310 435 HA SER 54 HA SER 54 6.601 -10.055 -3.544 436 HB2 SER 54 HB2 SER 54 6.106 -12.676 -4.961 437 HB3 SER 54 HB3 SER 54 7.455 -11.601 -5.301 438 HG SER 54 HG SER 54 6.896 -13.056 -2.933 439 H MET 55 H MET 55 6.889 -9.050 -5.673 440 HA MET 55 HA MET 55 4.464 -7.990 -6.644 441 HB2 MET 55 HB2 MET 55 7.316 -7.793 -7.567 442 HB3 MET 55 HB3 MET 55 6.014 -7.121 -8.541 443 HG2 MET 55 HG2 MET 55 6.608 -6.423 -5.679 444 HG3 MET 55 HG3 MET 55 7.026 -5.449 -7.086 445 HE1 MET 55 HE1 MET 55 5.703 -3.532 -5.545 446 HE2 MET 55 HE2 MET 55 5.210 -4.790 -4.411 447 HE3 MET 55 HE3 MET 55 4.003 -3.706 -5.104 448 H ARG 56 H ARG 56 6.359 -10.707 -7.613 449 HA ARG 56 HA ARG 56 4.889 -11.061 -10.084 450 HB2 ARG 56 HB2 ARG 56 6.199 -13.142 -10.364 451 HB3 ARG 56 HB3 ARG 56 7.214 -11.732 -10.135 452 HG2 ARG 56 HG2 ARG 56 6.538 -13.271 -7.715 453 HG3 ARG 56 HG3 ARG 56 7.618 -14.045 -8.878 454 HD2 ARG 56 HD2 ARG 56 8.006 -11.331 -7.628 455 HD3 ARG 56 HD3 ARG 56 8.851 -12.807 -7.171 456 HE ARG 56 HE ARG 56 9.063 -11.669 -9.876 457 HH11 ARG 56 HH11 ARG 56 10.579 -12.912 -6.955 458 HH12 ARG 56 HH12 ARG 56 12.177 -12.832 -7.609 459 HH21 ARG 56 HH21 ARG 56 11.163 -11.562 -10.728 460 HH22 ARG 56 HH22 ARG 56 12.517 -12.054 -9.765 461 H GLN 57 H GLN 57 4.354 -11.634 -6.900 462 HA GLN 57 HA GLN 57 2.796 -14.079 -7.286 463 HB2 GLN 57 HB2 GLN 57 4.091 -12.755 -5.000 464 HB3 GLN 57 HB3 GLN 57 2.520 -13.467 -4.646 465 HG2 GLN 57 HG2 GLN 57 4.277 -15.020 -4.137 466 HG3 GLN 57 HG3 GLN 57 3.336 -15.627 -5.495 467 HE21 GLN 57 HE21 GLN 57 4.277 -15.518 -7.584 468 HE22 GLN 57 HE22 GLN 57 5.987 -15.471 -7.771 469 H ILE 58 H ILE 58 2.368 -10.658 -7.034 470 HA ILE 58 HA ILE 58 -0.533 -11.029 -6.988 471 HB ILE 58 HB ILE 58 -0.925 -9.357 -5.318 472 HG12 ILE 58 HG12 ILE 58 2.087 -9.087 -5.172 473 HG13 ILE 58 HG13 ILE 58 0.930 -7.871 -5.710 474 HG21 ILE 58 HG21 ILE 58 1.041 -11.408 -4.360 475 HG22 ILE 58 HG22 ILE 58 -0.719 -11.565 -4.470 476 HG23 ILE 58 HG23 ILE 58 -0.003 -10.450 -3.304 477 HD11 ILE 58 HD11 ILE 58 1.783 -7.392 -3.477 478 HD12 ILE 58 HD12 ILE 58 1.160 -8.940 -2.908 479 HD13 ILE 58 HD13 ILE 58 0.045 -7.690 -3.460 480 H ARG 59 H ARG 59 -1.500 -8.635 -7.078 481 HA ARG 59 HA ARG 59 0.065 -6.762 -8.595 482 HB2 ARG 59 HB2 ARG 59 -2.022 -8.456 -9.867 483 HB3 ARG 59 HB3 ARG 59 -1.984 -6.758 -10.315 484 HG2 ARG 59 HG2 ARG 59 0.326 -8.673 -10.538 485 HG3 ARG 59 HG3 ARG 59 -0.720 -8.164 -11.865 486 HD2 ARG 59 HD2 ARG 59 -0.036 -5.820 -11.422 487 HD3 ARG 59 HD3 ARG 59 1.101 -6.414 -10.217 488 HE ARG 59 HE ARG 59 1.754 -7.823 -12.434 489 HH11 ARG 59 HH11 ARG 59 1.425 -4.374 -11.806 490 HH12 ARG 59 HH12 ARG 59 2.631 -3.929 -12.962 491 HH21 ARG 59 HH21 ARG 59 3.334 -7.215 -13.970 492 HH22 ARG 59 HH22 ARG 59 3.712 -5.542 -14.194 493 H PHE 60 H PHE 60 -0.708 -4.716 -8.453 494 HA PHE 60 HA PHE 60 -2.993 -4.312 -6.684 495 HB2 PHE 60 HB2 PHE 60 -0.853 -2.379 -7.633 496 HB3 PHE 60 HB3 PHE 60 -2.149 -1.977 -6.512 497 HD1 PHE 60 HD1 PHE 60 0.711 -4.300 -6.949 498 HD2 PHE 60 HD2 PHE 60 -1.788 -2.200 -4.194 499 HE1 PHE 60 HE1 PHE 60 2.148 -5.018 -5.096 500 HE2 PHE 60 HE2 PHE 60 -0.338 -2.916 -2.351 501 HZ PHE 60 HZ PHE 60 1.624 -4.326 -2.796 502 H ARG 61 H ARG 61 -4.797 -3.190 -7.322 503 HA ARG 61 HA ARG 61 -4.887 -2.121 -10.043 504 HB2 ARG 61 HB2 ARG 61 -5.651 -4.312 -10.414 505 HB3 ARG 61 HB3 ARG 61 -6.589 -4.338 -8.931 506 HG2 ARG 61 HG2 ARG 61 -7.360 -2.440 -11.097 507 HG3 ARG 61 HG3 ARG 61 -7.729 -4.154 -11.291 508 HD2 ARG 61 HD2 ARG 61 -8.694 -3.898 -8.854 509 HD3 ARG 61 HD3 ARG 61 -8.776 -2.191 -9.295 510 HE ARG 61 HE ARG 61 -9.924 -3.816 -11.308 511 HH11 ARG 61 HH11 ARG 61 -10.604 -2.569 -8.072 512 HH12 ARG 61 HH12 ARG 61 -12.312 -2.580 -8.312 513 HH21 ARG 61 HH21 ARG 61 -12.204 -3.853 -11.575 514 HH22 ARG 61 HH22 ARG 61 -13.224 -3.319 -10.288 515 H PHE 62 H PHE 62 -6.201 -0.414 -10.311 516 HA PHE 62 HA PHE 62 -8.095 0.284 -8.220 517 HB2 PHE 62 HB2 PHE 62 -6.039 1.415 -7.549 518 HB3 PHE 62 HB3 PHE 62 -5.907 2.150 -9.146 519 HD1 PHE 62 HD1 PHE 62 -8.339 1.787 -6.409 520 HD2 PHE 62 HD2 PHE 62 -6.689 4.299 -9.378 521 HE1 PHE 62 HE1 PHE 62 -9.726 3.645 -5.603 522 HE2 PHE 62 HE2 PHE 62 -8.056 6.186 -8.569 523 HZ PHE 62 HZ PHE 62 -9.578 5.847 -6.645 524 H ASP 63 H ASP 63 -9.708 1.632 -8.926 525 HA ASP 63 HA ASP 63 -11.262 2.446 -10.410 526 HB2 ASP 63 HB2 ASP 63 -9.180 3.949 -10.730 527 HB3 ASP 63 HB3 ASP 63 -9.004 3.124 -12.258 528 H GLY 64 H GLY 64 -10.122 -0.315 -10.751 529 HA2 GLY 64 HA2 GLY 64 -10.824 -2.034 -12.055 530 HA3 GLY 64 HA3 GLY 64 -11.470 -0.902 -13.228 531 H GLN 65 H GLN 65 -8.414 0.130 -12.626 532 HA GLN 65 HA GLN 65 -7.315 -1.474 -14.840 533 HB2 GLN 65 HB2 GLN 65 -5.922 0.531 -15.345 534 HB3 GLN 65 HB3 GLN 65 -7.646 0.809 -15.543 535 HG2 GLN 65 HG2 GLN 65 -7.690 1.870 -13.320 536 HG3 GLN 65 HG3 GLN 65 -5.949 1.680 -13.210 537 HE21 GLN 65 HE21 GLN 65 -5.530 3.834 -13.109 538 HE22 GLN 65 HE22 GLN 65 -5.759 4.922 -14.428 539 HA PRO 66 HA PRO 66 -4.102 -2.787 -12.088 540 HB2 PRO 66 HB2 PRO 66 -2.058 -3.182 -13.843 541 HB3 PRO 66 HB3 PRO 66 -3.433 -4.282 -13.708 542 HG2 PRO 66 HG2 PRO 66 -2.930 -2.114 -15.705 543 HG3 PRO 66 HG3 PRO 66 -3.586 -3.743 -15.958 544 HD2 PRO 66 HD2 PRO 66 -5.154 -1.530 -15.841 545 HD3 PRO 66 HD3 PRO 66 -5.707 -3.126 -15.295 546 H ILE 67 H ILE 67 -2.454 -1.899 -10.892 547 HA ILE 67 HA ILE 67 -1.650 0.818 -11.631 548 HB ILE 67 HB ILE 67 -1.158 -0.607 -9.011 549 HG12 ILE 67 HG12 ILE 67 -3.442 1.244 -9.728 550 HG13 ILE 67 HG13 ILE 67 -3.578 -0.491 -9.469 551 HG21 ILE 67 HG21 ILE 67 -1.147 2.315 -9.750 552 HG22 ILE 67 HG22 ILE 67 0.269 1.321 -9.407 553 HG23 ILE 67 HG23 ILE 67 -0.898 1.667 -8.131 554 HD11 ILE 67 HD11 ILE 67 -2.790 -0.149 -7.145 555 HD12 ILE 67 HD12 ILE 67 -4.314 0.651 -7.507 556 HD13 ILE 67 HD13 ILE 67 -2.823 1.591 -7.432 557 H ASN 68 H ASN 68 0.491 1.449 -11.748 558 HA ASN 68 HA ASN 68 2.507 -0.693 -11.681 559 HB2 ASN 68 HB2 ASN 68 2.988 1.592 -13.505 560 HB3 ASN 68 HB3 ASN 68 3.401 -0.107 -13.692 561 HD21 ASN 68 HD21 ASN 68 1.035 2.335 -14.161 562 HD22 ASN 68 HD22 ASN 68 0.003 1.423 -15.171 563 H GLU 69 H GLU 69 4.745 0.302 -11.564 564 HA GLU 69 HA GLU 69 4.813 1.936 -9.257 565 HB2 GLU 69 HB2 GLU 69 7.272 1.885 -9.572 566 HB3 GLU 69 HB3 GLU 69 6.532 0.291 -9.572 567 HG2 GLU 69 HG2 GLU 69 6.628 0.307 -12.039 568 HG3 GLU 69 HG3 GLU 69 7.473 1.852 -11.965 569 H THR 70 H THR 70 4.722 2.657 -12.580 570 HA THR 70 HA THR 70 5.920 5.269 -12.244 571 HB THR 70 HB THR 70 6.512 4.136 -14.272 572 HG1 THR 70 HG1 THR 70 4.772 6.357 -14.579 573 HG21 THR 70 HG21 THR 70 4.821 3.548 -15.954 574 HG22 THR 70 HG22 THR 70 3.561 4.044 -14.814 575 HG23 THR 70 HG23 THR 70 4.609 2.679 -14.431 576 H ASP 71 H ASP 71 3.051 4.112 -11.441 577 HA ASP 71 HA ASP 71 1.547 6.391 -12.461 578 HB2 ASP 71 HB2 ASP 71 0.800 3.745 -11.383 579 HB3 ASP 71 HB3 ASP 71 -0.318 5.073 -11.107 580 H THR 72 H THR 72 0.645 7.924 -11.190 581 HA THR 72 HA THR 72 1.592 8.036 -8.403 582 HB THR 72 HB THR 72 0.673 10.449 -9.922 583 HG1 THR 72 HG1 THR 72 2.937 8.888 -10.450 584 HG21 THR 72 HG21 THR 72 1.253 10.781 -7.608 585 HG22 THR 72 HG22 THR 72 2.510 11.513 -8.604 586 HG23 THR 72 HG23 THR 72 2.795 9.954 -7.830 587 HA PRO 73 HA PRO 73 -2.604 7.596 -7.009 588 HB2 PRO 73 HB2 PRO 73 -2.540 9.413 -4.914 589 HB3 PRO 73 HB3 PRO 73 -1.972 7.742 -4.823 590 HG2 PRO 73 HG2 PRO 73 -0.410 10.247 -5.352 591 HG3 PRO 73 HG3 PRO 73 -0.005 8.886 -4.276 592 HD2 PRO 73 HD2 PRO 73 1.128 9.139 -6.628 593 HD3 PRO 73 HD3 PRO 73 0.589 7.530 -6.091 594 H ALA 74 H ALA 74 -1.367 10.860 -7.467 595 HA ALA 74 HA ALA 74 -3.883 12.150 -7.388 596 HB1 ALA 74 HB1 ALA 74 -2.668 14.083 -8.276 597 HB2 ALA 74 HB2 ALA 74 -1.280 13.033 -8.606 598 HB3 ALA 74 HB3 ALA 74 -1.801 13.306 -6.946 599 H GLN 75 H GLN 75 -2.121 10.510 -9.864 600 HA GLN 75 HA GLN 75 -3.366 11.685 -12.113 601 HB2 GLN 75 HB2 GLN 75 -1.645 9.341 -11.589 602 HB3 GLN 75 HB3 GLN 75 -2.611 9.286 -13.054 603 HG2 GLN 75 HG2 GLN 75 -0.354 10.158 -13.415 604 HG3 GLN 75 HG3 GLN 75 -1.618 11.300 -13.855 605 HE21 GLN 75 HE21 GLN 75 -0.244 13.046 -13.707 606 HE22 GLN 75 HE22 GLN 75 0.320 13.668 -12.198 607 H LEU 76 H LEU 76 -4.205 9.004 -10.033 608 HA LEU 76 HA LEU 76 -6.420 8.275 -11.776 609 HB2 LEU 76 HB2 LEU 76 -5.918 7.056 -9.088 610 HB3 LEU 76 HB3 LEU 76 -6.663 6.336 -10.499 611 HG LEU 76 HG LEU 76 -4.129 6.791 -11.413 612 HD11 LEU 76 HD11 LEU 76 -3.373 7.562 -9.246 613 HD12 LEU 76 HD12 LEU 76 -2.599 6.033 -9.675 614 HD13 LEU 76 HD13 LEU 76 -3.922 6.059 -8.505 615 HD21 LEU 76 HD21 LEU 76 -4.898 4.308 -9.899 616 HD22 LEU 76 HD22 LEU 76 -3.828 4.450 -11.294 617 HD23 LEU 76 HD23 LEU 76 -5.563 4.706 -11.483 618 H GLU 77 H GLU 77 -5.970 10.732 -9.890 619 HA GLU 77 HA GLU 77 -7.089 12.054 -8.434 620 HB2 GLU 77 HB2 GLU 77 -9.366 12.650 -9.167 621 HB3 GLU 77 HB3 GLU 77 -8.230 12.570 -10.500 622 HG2 GLU 77 HG2 GLU 77 -9.125 10.338 -11.072 623 HG3 GLU 77 HG3 GLU 77 -10.315 10.525 -9.785 624 H MET 78 H MET 78 -6.698 9.659 -7.250 625 HA MET 78 HA MET 78 -9.148 8.699 -6.100 626 HB2 MET 78 HB2 MET 78 -7.773 7.107 -4.944 627 HB3 MET 78 HB3 MET 78 -7.183 7.245 -6.596 628 HG2 MET 78 HG2 MET 78 -5.583 9.017 -5.476 629 HG3 MET 78 HG3 MET 78 -5.897 8.025 -4.053 630 HE1 MET 78 HE1 MET 78 -5.679 5.246 -4.249 631 HE2 MET 78 HE2 MET 78 -4.850 4.466 -5.600 632 HE3 MET 78 HE3 MET 78 -6.419 5.230 -5.854 633 H GLU 79 H GLU 79 -9.350 8.568 -3.684 634 HA GLU 79 HA GLU 79 -8.758 11.215 -2.524 635 HB2 GLU 79 HB2 GLU 79 -10.707 10.897 -1.162 636 HB3 GLU 79 HB3 GLU 79 -11.148 10.538 -2.831 637 HG2 GLU 79 HG2 GLU 79 -10.933 8.154 -2.384 638 HG3 GLU 79 HG3 GLU 79 -10.457 8.500 -0.732 639 H ASP 80 H ASP 80 -8.269 11.230 -0.070 640 HA ASP 80 HA ASP 80 -6.572 9.291 0.786 641 HB2 ASP 80 HB2 ASP 80 -6.904 10.216 3.012 642 HB3 ASP 80 HB3 ASP 80 -6.821 11.519 1.829 643 H GLU 81 H GLU 81 -6.745 7.538 2.015 644 HA GLU 81 HA GLU 81 -7.532 5.673 2.940 645 HB2 GLU 81 HB2 GLU 81 -10.032 7.300 3.236 646 HB3 GLU 81 HB3 GLU 81 -9.904 5.643 3.801 647 HG2 GLU 81 HG2 GLU 81 -7.771 6.593 5.008 648 HG3 GLU 81 HG3 GLU 81 -8.652 8.112 4.835 649 H ASP 82 H ASP 82 -7.911 6.462 0.039 650 HA ASP 82 HA ASP 82 -10.067 4.998 -0.964 651 HB2 ASP 82 HB2 ASP 82 -8.832 6.532 -2.407 652 HB3 ASP 82 HB3 ASP 82 -7.378 5.543 -2.254 653 H THR 83 H THR 83 -10.165 2.874 -1.862 654 HA THR 83 HA THR 83 -8.406 1.016 -0.440 655 HB THR 83 HB THR 83 -11.034 0.373 -1.764 656 HG1 THR 83 HG1 THR 83 -10.612 1.925 0.339 657 HG21 THR 83 HG21 THR 83 -9.453 -1.000 0.422 658 HG22 THR 83 HG22 THR 83 -9.572 -1.541 -1.251 659 HG23 THR 83 HG23 THR 83 -11.003 -1.540 -0.221 660 H ILE 84 H ILE 84 -6.937 -0.024 -1.513 661 HA ILE 84 HA ILE 84 -6.943 -0.134 -4.433 662 HB ILE 84 HB ILE 84 -4.785 -1.090 -2.520 663 HG12 ILE 84 HG12 ILE 84 -5.337 1.380 -2.343 664 HG13 ILE 84 HG13 ILE 84 -3.678 0.998 -2.768 665 HG21 ILE 84 HG21 ILE 84 -3.346 -0.856 -4.548 666 HG22 ILE 84 HG22 ILE 84 -4.809 -0.534 -5.489 667 HG23 ILE 84 HG23 ILE 84 -4.598 -2.096 -4.691 668 HD11 ILE 84 HD11 ILE 84 -4.172 1.476 -5.091 669 HD12 ILE 84 HD12 ILE 84 -4.505 2.858 -4.045 670 HD13 ILE 84 HD13 ILE 84 -5.837 1.871 -4.658 671 H ASP 85 H ASP 85 -7.110 -2.032 -5.568 672 HA ASP 85 HA ASP 85 -7.901 -4.387 -4.024 673 HB2 ASP 85 HB2 ASP 85 -8.249 -3.603 -6.902 674 HB3 ASP 85 HB3 ASP 85 -8.569 -5.240 -6.338 675 H VAL 86 H VAL 86 -6.432 -5.863 -3.655 676 HA VAL 86 HA VAL 86 -4.303 -6.279 -5.650 677 HB VAL 86 HB VAL 86 -4.227 -6.669 -2.655 678 HG11 VAL 86 HG11 VAL 86 -2.199 -7.598 -4.691 679 HG12 VAL 86 HG12 VAL 86 -3.233 -8.651 -3.726 680 HG13 VAL 86 HG13 VAL 86 -2.006 -7.658 -2.938 681 HG21 VAL 86 HG21 VAL 86 -2.291 -5.222 -2.830 682 HG22 VAL 86 HG22 VAL 86 -3.726 -4.459 -3.516 683 HG23 VAL 86 HG23 VAL 86 -2.499 -5.151 -4.578 684 H PHE 87 H PHE 87 -4.034 -8.203 -6.480 685 HA PHE 87 HA PHE 87 -5.603 -10.411 -5.445 686 HB2 PHE 87 HB2 PHE 87 -6.264 -11.019 -7.799 687 HB3 PHE 87 HB3 PHE 87 -7.069 -9.600 -7.146 688 HD1 PHE 87 HD1 PHE 87 -6.374 -7.352 -7.887 689 HD2 PHE 87 HD2 PHE 87 -4.889 -10.882 -9.726 690 HE1 PHE 87 HE1 PHE 87 -5.677 -6.041 -9.820 691 HE2 PHE 87 HE2 PHE 87 -4.185 -9.564 -11.684 692 HZ PHE 87 HZ PHE 87 -4.581 -7.137 -11.734 693 H GLN 88 H GLN 88 -4.829 -12.442 -6.079 694 HA GLN 88 HA GLN 88 -2.033 -12.615 -6.119 695 HB2 GLN 88 HB2 GLN 88 -4.227 -14.362 -5.896 696 HB3 GLN 88 HB3 GLN 88 -3.182 -15.009 -7.154 697 HG2 GLN 88 HG2 GLN 88 -2.454 -16.025 -5.187 698 HG3 GLN 88 HG3 GLN 88 -1.297 -14.739 -5.478 699 HE21 GLN 88 HE21 GLN 88 -1.064 -13.151 -4.015 700 HE22 GLN 88 HE22 GLN 88 -1.919 -13.039 -2.513 701 H GLN 89 H GLN 89 -0.773 -13.657 -7.711 702 HA GLN 89 HA GLN 89 -1.511 -13.654 -10.501 703 HB2 GLN 89 HB2 GLN 89 -0.152 -11.251 -9.413 704 HB3 GLN 89 HB3 GLN 89 0.392 -11.844 -10.974 705 HG2 GLN 89 HG2 GLN 89 -2.443 -11.117 -10.279 706 HG3 GLN 89 HG3 GLN 89 -1.311 -10.103 -11.172 707 HE21 GLN 89 HE21 GLN 89 -3.897 -11.261 -11.930 708 HE22 GLN 89 HE22 GLN 89 -3.605 -12.157 -13.377 709 H GLN 90 H GLN 90 0.143 -15.163 -8.340 710 HA GLN 90 HA GLN 90 2.776 -15.142 -9.367 711 HB2 GLN 90 HB2 GLN 90 3.268 -17.028 -7.970 712 HB3 GLN 90 HB3 GLN 90 2.255 -15.919 -7.072 713 HG2 GLN 90 HG2 GLN 90 1.248 -18.401 -8.416 714 HG3 GLN 90 HG3 GLN 90 1.780 -18.313 -6.739 715 HE21 GLN 90 HE21 GLN 90 -0.696 -17.467 -9.008 716 HE22 GLN 90 HE22 GLN 90 -1.868 -16.960 -7.842 717 H THR 91 H THR 91 3.259 -15.623 -11.329 718 HA THR 91 HA THR 91 2.297 -18.145 -12.475 719 HB THR 91 HB THR 91 2.516 -15.585 -14.075 720 HG1 THR 91 HG1 THR 91 0.811 -15.249 -12.689 721 HG21 THR 91 HG21 THR 91 1.201 -16.832 -15.727 722 HG22 THR 91 HG22 THR 91 1.161 -18.227 -14.650 723 HG23 THR 91 HG23 THR 91 2.692 -17.691 -15.339 724 H GLY 92 H GLY 92 4.072 -19.341 -12.895 725 HA2 GLY 92 HA2 GLY 92 6.151 -18.419 -14.550 726 HA3 GLY 92 HA3 GLY 92 6.687 -18.378 -12.875 727 H GLY 93 H GLY 93 7.758 -20.024 -14.962 728 HA2 GLY 93 HA2 GLY 93 8.039 -22.430 -13.618 729 HA3 GLY 93 HA3 GLY 93 6.763 -22.663 -14.809 Start of MODEL 12 1 H MET 1 H MET 1 11.682 27.124 -8.811 2 HA MET 1 HA MET 1 11.131 25.542 -7.128 3 HB2 MET 1 HB2 MET 1 13.339 25.325 -7.860 4 HB3 MET 1 HB3 MET 1 13.850 26.815 -7.083 5 HG2 MET 1 HG2 MET 1 13.817 25.829 -4.951 6 HG3 MET 1 HG3 MET 1 12.964 24.414 -5.540 7 HE1 MET 1 HE1 MET 1 16.378 22.829 -4.579 8 HE2 MET 1 HE2 MET 1 14.623 22.726 -4.449 9 HE3 MET 1 HE3 MET 1 15.484 24.073 -3.709 10 H ALA 2 H ALA 2 12.424 28.512 -5.661 11 HA ALA 2 HA ALA 2 11.478 27.554 -3.051 12 HB1 ALA 2 HB1 ALA 2 13.384 29.809 -3.637 13 HB2 ALA 2 HB2 ALA 2 13.845 28.163 -3.206 14 HB3 ALA 2 HB3 ALA 2 12.975 29.165 -2.047 15 H ASP 3 H ASP 3 10.068 29.198 -5.378 16 HA ASP 3 HA ASP 3 9.202 31.540 -3.953 17 HB2 ASP 3 HB2 ASP 3 9.246 31.662 -6.365 18 HB3 ASP 3 HB3 ASP 3 8.164 30.279 -6.496 19 H GLU 4 H GLU 4 8.099 28.267 -4.269 20 HA GLU 4 HA GLU 4 5.433 28.583 -3.482 21 HB2 GLU 4 HB2 GLU 4 7.238 26.215 -2.966 22 HB3 GLU 4 HB3 GLU 4 5.481 26.207 -2.953 23 HG2 GLU 4 HG2 GLU 4 7.245 26.704 -5.342 24 HG3 GLU 4 HG3 GLU 4 6.333 25.236 -4.999 25 H LYS 5 H LYS 5 5.173 29.933 -1.749 26 HA LYS 5 HA LYS 5 5.395 28.817 0.827 27 HB2 LYS 5 HB2 LYS 5 7.765 29.506 0.519 28 HB3 LYS 5 HB3 LYS 5 7.222 31.166 0.304 29 HG2 LYS 5 HG2 LYS 5 6.381 31.246 2.538 30 HG3 LYS 5 HG3 LYS 5 6.707 29.529 2.768 31 HD2 LYS 5 HD2 LYS 5 9.108 29.977 2.476 32 HD3 LYS 5 HD3 LYS 5 8.748 31.702 2.330 33 HE2 LYS 5 HE2 LYS 5 7.786 31.706 4.551 34 HE3 LYS 5 HE3 LYS 5 8.070 29.976 4.700 35 HZ1 LYS 5 HZ1 LYS 5 10.435 30.377 4.581 36 HZ2 LYS 5 HZ2 LYS 5 9.766 31.287 5.838 37 HZ3 LYS 5 HZ3 LYS 5 10.184 32.036 4.383 38 HA PRO 6 HA PRO 6 2.139 31.927 0.599 39 HB2 PRO 6 HB2 PRO 6 0.699 30.473 2.565 40 HB3 PRO 6 HB3 PRO 6 0.393 30.519 0.839 41 HG2 PRO 6 HG2 PRO 6 1.284 28.297 2.265 42 HG3 PRO 6 HG3 PRO 6 1.424 28.498 0.510 43 HD2 PRO 6 HD2 PRO 6 3.460 28.882 2.648 44 HD3 PRO 6 HD3 PRO 6 3.647 28.277 0.985 45 H LYS 7 H LYS 7 1.086 33.288 2.092 46 HA LYS 7 HA LYS 7 2.344 34.466 4.160 47 HB2 LYS 7 HB2 LYS 7 0.350 35.506 4.770 48 HB3 LYS 7 HB3 LYS 7 0.074 35.055 3.098 49 HG2 LYS 7 HG2 LYS 7 -0.882 33.413 5.426 50 HG3 LYS 7 HG3 LYS 7 -1.852 34.677 4.674 51 HD2 LYS 7 HD2 LYS 7 -1.694 33.417 2.537 52 HD3 LYS 7 HD3 LYS 7 -0.829 32.140 3.398 53 HE2 LYS 7 HE2 LYS 7 -2.763 31.868 4.896 54 HE3 LYS 7 HE3 LYS 7 -3.624 33.113 3.999 55 HZ1 LYS 7 HZ1 LYS 7 -3.403 31.658 2.010 56 HZ2 LYS 7 HZ2 LYS 7 -4.356 31.006 3.243 57 HZ3 LYS 7 HZ3 LYS 7 -2.780 30.444 3.018 58 H GLU 8 H GLU 8 0.721 31.385 4.367 59 HA GLU 8 HA GLU 8 0.947 31.325 7.261 60 HB2 GLU 8 HB2 GLU 8 -0.252 29.189 7.111 61 HB3 GLU 8 HB3 GLU 8 -1.112 30.461 6.257 62 HG2 GLU 8 HG2 GLU 8 0.167 29.529 4.182 63 HG3 GLU 8 HG3 GLU 8 0.324 28.084 5.179 64 H GLY 9 H GLY 9 2.141 29.698 8.346 65 HA2 GLY 9 HA2 GLY 9 4.751 29.367 7.244 66 HA3 GLY 9 HA3 GLY 9 4.181 28.695 8.762 67 H VAL 10 H VAL 10 2.285 26.985 8.144 68 HA VAL 10 HA VAL 10 3.171 25.297 5.949 69 HB VAL 10 HB VAL 10 4.429 24.563 7.990 70 HG11 VAL 10 HG11 VAL 10 3.240 23.405 9.790 71 HG12 VAL 10 HG12 VAL 10 1.702 23.884 9.073 72 HG13 VAL 10 HG13 VAL 10 2.804 25.111 9.695 73 HG21 VAL 10 HG21 VAL 10 3.979 22.972 6.207 74 HG22 VAL 10 HG22 VAL 10 2.421 22.574 6.932 75 HG23 VAL 10 HG23 VAL 10 3.917 22.170 7.777 76 H LYS 11 H LYS 11 1.468 23.743 5.293 77 HA LYS 11 HA LYS 11 -1.116 24.859 5.824 78 HB2 LYS 11 HB2 LYS 11 -0.091 24.024 3.562 79 HB3 LYS 11 HB3 LYS 11 -0.571 22.436 4.138 80 HG2 LYS 11 HG2 LYS 11 -2.310 23.216 2.744 81 HG3 LYS 11 HG3 LYS 11 -2.894 23.359 4.406 82 HD2 LYS 11 HD2 LYS 11 -2.126 25.755 4.353 83 HD3 LYS 11 HD3 LYS 11 -1.847 25.546 2.625 84 HE2 LYS 11 HE2 LYS 11 -4.188 24.995 2.298 85 HE3 LYS 11 HE3 LYS 11 -4.480 25.140 4.032 86 HZ1 LYS 11 HZ1 LYS 11 -3.709 27.294 2.153 87 HZ2 LYS 11 HZ2 LYS 11 -3.701 27.477 3.832 88 HZ3 LYS 11 HZ3 LYS 11 -5.155 27.155 3.027 89 H THR 12 H THR 12 -2.919 23.532 6.544 90 HA THR 12 HA THR 12 -2.290 20.956 7.684 91 HB THR 12 HB THR 12 -1.673 22.540 9.484 92 HG1 THR 12 HG1 THR 12 -4.072 21.292 10.336 93 HG21 THR 12 HG21 THR 12 -3.190 24.372 8.958 94 HG22 THR 12 HG22 THR 12 -3.427 23.842 10.624 95 HG23 THR 12 HG23 THR 12 -4.576 23.365 9.374 96 H GLU 13 H GLU 13 -4.304 19.912 8.591 97 HA GLU 13 HA GLU 13 -6.394 19.137 8.362 98 HB2 GLU 13 HB2 GLU 13 -6.930 22.037 7.874 99 HB3 GLU 13 HB3 GLU 13 -8.203 20.851 7.633 100 HG2 GLU 13 HG2 GLU 13 -8.423 21.767 9.828 101 HG3 GLU 13 HG3 GLU 13 -7.884 20.096 9.967 102 H ASN 14 H ASN 14 -5.380 17.969 6.617 103 HA ASN 14 HA ASN 14 -5.695 16.826 4.690 104 HB2 ASN 14 HB2 ASN 14 -8.038 18.695 4.298 105 HB3 ASN 14 HB3 ASN 14 -7.605 17.444 3.141 106 HD21 ASN 14 HD21 ASN 14 -8.986 18.143 6.218 107 HD22 ASN 14 HD22 ASN 14 -9.573 16.552 6.551 108 H ASN 15 H ASN 15 -3.701 17.491 4.077 109 HA ASN 15 HA ASN 15 -3.534 19.831 2.316 110 HB2 ASN 15 HB2 ASN 15 -1.337 18.204 3.608 111 HB3 ASN 15 HB3 ASN 15 -1.104 19.658 2.645 112 HD21 ASN 15 HD21 ASN 15 -0.323 19.156 5.363 113 HD22 ASN 15 HD22 ASN 15 -1.094 20.367 6.327 114 H ASP 16 H ASP 16 -1.076 18.892 1.099 115 HA ASP 16 HA ASP 16 -2.209 17.498 -1.120 116 HB2 ASP 16 HB2 ASP 16 0.006 17.719 -2.134 117 HB3 ASP 16 HB3 ASP 16 -0.530 19.246 -1.440 118 H HIS 17 H HIS 17 -1.558 16.210 1.674 119 HA HIS 17 HA HIS 17 -0.433 13.789 0.471 120 HB2 HIS 17 HB2 HIS 17 0.623 13.148 2.491 121 HB3 HIS 17 HB3 HIS 17 0.969 14.860 2.331 122 HD1 HIS 17 HD1 HIS 17 0.275 16.349 4.261 123 HD2 HIS 17 HD2 HIS 17 -1.311 12.515 4.528 124 HE1 HIS 17 HE1 HIS 17 -0.743 16.196 6.551 125 HE2 HIS 17 HE2 HIS 17 -1.873 13.938 6.606 126 H ILE 18 H ILE 18 -1.493 11.912 0.690 127 HA ILE 18 HA ILE 18 -4.083 12.027 2.080 128 HB ILE 18 HB ILE 18 -5.112 10.732 0.220 129 HG12 ILE 18 HG12 ILE 18 -2.618 11.463 -1.327 130 HG13 ILE 18 HG13 ILE 18 -2.955 9.855 -0.698 131 HG21 ILE 18 HG21 ILE 18 -5.385 12.619 -1.314 132 HG22 ILE 18 HG22 ILE 18 -3.985 13.411 -0.596 133 HG23 ILE 18 HG23 ILE 18 -5.440 13.152 0.367 134 HD11 ILE 18 HD11 ILE 18 -4.597 11.338 -2.744 135 HD12 ILE 18 HD12 ILE 18 -4.949 9.729 -2.109 136 HD13 ILE 18 HD13 ILE 18 -3.490 10.000 -3.059 137 H ASN 19 H ASN 19 -5.057 9.800 2.309 138 HA ASN 19 HA ASN 19 -2.934 7.896 3.014 139 HB2 ASN 19 HB2 ASN 19 -4.429 8.771 4.857 140 HB3 ASN 19 HB3 ASN 19 -5.776 7.981 4.057 141 HD21 ASN 19 HD21 ASN 19 -4.538 7.601 6.715 142 HD22 ASN 19 HD22 ASN 19 -4.178 5.918 6.829 143 H LEU 20 H LEU 20 -2.825 6.041 1.941 144 HA LEU 20 HA LEU 20 -5.180 5.247 0.375 145 HB2 LEU 20 HB2 LEU 20 -2.263 4.948 -0.342 146 HB3 LEU 20 HB3 LEU 20 -3.543 4.079 -1.159 147 HG LEU 20 HG LEU 20 -3.048 5.883 -2.567 148 HD11 LEU 20 HD11 LEU 20 -5.025 7.248 -2.592 149 HD12 LEU 20 HD12 LEU 20 -5.377 6.826 -0.920 150 HD13 LEU 20 HD13 LEU 20 -5.452 5.588 -2.174 151 HD21 LEU 20 HD21 LEU 20 -3.134 7.693 -0.169 152 HD22 LEU 20 HD22 LEU 20 -2.835 8.184 -1.839 153 HD23 LEU 20 HD23 LEU 20 -1.679 7.147 -1.003 154 H LYS 21 H LYS 21 -5.905 3.248 0.626 155 HA LYS 21 HA LYS 21 -4.353 1.528 2.427 156 HB2 LYS 21 HB2 LYS 21 -7.341 1.601 2.061 157 HB3 LYS 21 HB3 LYS 21 -6.445 0.633 3.227 158 HG2 LYS 21 HG2 LYS 21 -5.677 2.673 4.326 159 HG3 LYS 21 HG3 LYS 21 -6.590 3.630 3.158 160 HD2 LYS 21 HD2 LYS 21 -7.776 1.641 5.082 161 HD3 LYS 21 HD3 LYS 21 -7.823 3.398 5.246 162 HE2 LYS 21 HE2 LYS 21 -9.837 3.162 4.209 163 HE3 LYS 21 HE3 LYS 21 -8.827 3.151 2.775 164 HZ1 LYS 21 HZ1 LYS 21 -8.884 0.763 2.739 165 HZ2 LYS 21 HZ2 LYS 21 -10.462 1.349 2.791 166 HZ3 LYS 21 HZ3 LYS 21 -9.757 0.712 4.181 167 H VAL 22 H VAL 22 -4.371 -0.652 2.000 168 HA VAL 22 HA VAL 22 -5.200 -1.364 -0.722 169 HB VAL 22 HB VAL 22 -2.808 -1.090 -0.775 170 HG11 VAL 22 HG11 VAL 22 -2.585 -1.233 1.686 171 HG12 VAL 22 HG12 VAL 22 -1.298 -1.961 0.723 172 HG13 VAL 22 HG13 VAL 22 -2.519 -2.987 1.491 173 HG21 VAL 22 HG21 VAL 22 -3.620 -3.013 -1.987 174 HG22 VAL 22 HG22 VAL 22 -3.483 -4.004 -0.534 175 HG23 VAL 22 HG23 VAL 22 -2.034 -3.343 -1.292 176 H ALA 23 H ALA 23 -6.376 -3.161 -0.893 177 HA ALA 23 HA ALA 23 -6.638 -4.853 1.510 178 HB1 ALA 23 HB1 ALA 23 -8.650 -4.375 -0.692 179 HB2 ALA 23 HB2 ALA 23 -8.707 -3.679 0.928 180 HB3 ALA 23 HB3 ALA 23 -8.877 -5.423 0.708 181 H GLY 24 H GLY 24 -5.806 -6.824 1.303 182 HA2 GLY 24 HA2 GLY 24 -5.090 -7.750 -1.353 183 HA3 GLY 24 HA3 GLY 24 -4.515 -8.403 0.172 184 H GLN 25 H GLN 25 -5.492 -9.813 -2.063 185 HA GLN 25 HA GLN 25 -8.069 -10.758 -1.897 186 HB2 GLN 25 HB2 GLN 25 -6.902 -12.957 -2.801 187 HB3 GLN 25 HB3 GLN 25 -7.070 -11.515 -3.785 188 HG2 GLN 25 HG2 GLN 25 -4.858 -12.460 -4.042 189 HG3 GLN 25 HG3 GLN 25 -4.751 -10.887 -3.266 190 HE21 GLN 25 HE21 GLN 25 -4.002 -10.760 -1.148 191 HE22 GLN 25 HE22 GLN 25 -3.287 -12.097 -0.331 192 H ASP 26 H ASP 26 -5.673 -11.200 0.461 193 HA ASP 26 HA ASP 26 -6.785 -13.693 1.462 194 HB2 ASP 26 HB2 ASP 26 -5.002 -13.609 3.114 195 HB3 ASP 26 HB3 ASP 26 -4.336 -13.324 1.510 196 H GLY 27 H GLY 27 -7.319 -10.375 1.792 197 HA2 GLY 27 HA2 GLY 27 -9.275 -9.631 2.991 198 HA3 GLY 27 HA3 GLY 27 -8.971 -10.885 4.186 199 H SER 28 H SER 28 -6.131 -9.479 3.310 200 HA SER 28 HA SER 28 -5.998 -7.998 5.812 201 HB2 SER 28 HB2 SER 28 -4.171 -9.525 5.238 202 HB3 SER 28 HB3 SER 28 -3.853 -8.606 3.769 203 HG SER 28 HG SER 28 -2.455 -7.764 5.137 204 H VAL 29 H VAL 29 -5.210 -5.808 5.899 205 HA VAL 29 HA VAL 29 -5.188 -4.302 3.439 206 HB VAL 29 HB VAL 29 -7.520 -4.139 3.907 207 HG11 VAL 29 HG11 VAL 29 -6.806 -3.353 6.711 208 HG12 VAL 29 HG12 VAL 29 -7.517 -4.883 6.190 209 HG13 VAL 29 HG13 VAL 29 -8.434 -3.385 6.027 210 HG21 VAL 29 HG21 VAL 29 -6.195 -1.621 4.909 211 HG22 VAL 29 HG22 VAL 29 -7.846 -1.746 4.298 212 HG23 VAL 29 HG23 VAL 29 -6.480 -2.044 3.220 213 H VAL 30 H VAL 30 -3.829 -2.611 3.504 214 HA VAL 30 HA VAL 30 -2.687 -1.924 6.126 215 HB VAL 30 HB VAL 30 -1.093 -1.770 3.585 216 HG11 VAL 30 HG11 VAL 30 -0.283 -1.997 6.481 217 HG12 VAL 30 HG12 VAL 30 -0.316 -0.511 5.535 218 HG13 VAL 30 HG13 VAL 30 0.806 -1.801 5.106 219 HG21 VAL 30 HG21 VAL 30 -1.813 -4.080 3.795 220 HG22 VAL 30 HG22 VAL 30 -1.233 -4.130 5.463 221 HG23 VAL 30 HG23 VAL 30 -0.090 -3.935 4.131 222 H GLN 31 H GLN 31 -2.434 0.255 6.551 223 HA GLN 31 HA GLN 31 -3.450 2.064 4.467 224 HB2 GLN 31 HB2 GLN 31 -3.263 2.596 7.435 225 HB3 GLN 31 HB3 GLN 31 -4.057 3.603 6.244 226 HG2 GLN 31 HG2 GLN 31 -5.867 2.563 7.175 227 HG3 GLN 31 HG3 GLN 31 -5.505 1.447 5.862 228 HE21 GLN 31 HE21 GLN 31 -4.906 -0.606 6.318 229 HE22 GLN 31 HE22 GLN 31 -4.841 -1.270 7.911 230 H PHE 32 H PHE 32 -2.342 3.947 3.905 231 HA PHE 32 HA PHE 32 0.307 4.400 5.139 232 HB2 PHE 32 HB2 PHE 32 -0.018 4.396 2.156 233 HB3 PHE 32 HB3 PHE 32 1.470 4.457 3.079 234 HD1 PHE 32 HD1 PHE 32 -1.335 2.290 2.084 235 HD2 PHE 32 HD2 PHE 32 2.587 2.483 3.725 236 HE1 PHE 32 HE1 PHE 32 -1.114 -0.121 1.836 237 HE2 PHE 32 HE2 PHE 32 2.806 0.041 3.487 238 HZ PHE 32 HZ PHE 32 0.935 -1.262 2.537 239 HH31 ALY 33 HH31 ALY 33 -5.630 13.585 7.485 240 HH32 ALY 33 HH32 ALY 33 -6.145 11.957 7.982 241 HH33 ALY 33 HH33 ALY 33 -6.169 12.434 6.271 242 HZ ALY 33 HZ ALY 33 -4.914 10.295 6.396 243 HE3 ALY 33 HE3 ALY 33 -2.554 10.393 8.031 244 HE2 ALY 33 HE2 ALY 33 -3.419 8.962 7.467 245 HD3 ALY 33 HD3 ALY 33 -2.453 9.235 5.253 246 HD2 ALY 33 HD2 ALY 33 -1.620 10.696 5.788 247 HG3 ALY 33 HG3 ALY 33 -0.541 9.218 7.566 248 HG2 ALY 33 HG2 ALY 33 -1.137 7.853 6.612 249 HB3 ALY 33 HB3 ALY 33 0.496 10.059 5.437 250 HB2 ALY 33 HB2 ALY 33 1.217 8.629 6.154 251 HCA ALY 33 HCA ALY 33 -0.790 8.499 3.901 252 H ALY 33 H ALY 33 1.040 6.483 5.022 253 H ILE 34 H ILE 34 -0.080 9.114 1.921 254 HA ILE 34 HA ILE 34 2.783 9.737 1.654 255 HB ILE 34 HB ILE 34 2.845 8.897 -0.635 256 HG12 ILE 34 HG12 ILE 34 0.049 7.847 -0.148 257 HG13 ILE 34 HG13 ILE 34 0.447 9.231 -1.161 258 HG21 ILE 34 HG21 ILE 34 1.884 6.823 1.328 259 HG22 ILE 34 HG22 ILE 34 3.546 7.362 1.086 260 HG23 ILE 34 HG23 ILE 34 2.713 6.473 -0.189 261 HD11 ILE 34 HD11 ILE 34 1.706 7.789 -2.660 262 HD12 ILE 34 HD12 ILE 34 0.045 7.223 -2.484 263 HD13 ILE 34 HD13 ILE 34 1.352 6.400 -1.633 264 H LYS 35 H LYS 35 3.104 11.025 -0.476 265 HA LYS 35 HA LYS 35 1.215 13.211 -0.382 266 HB2 LYS 35 HB2 LYS 35 3.925 12.843 -1.607 267 HB3 LYS 35 HB3 LYS 35 2.906 14.198 -2.066 268 HG2 LYS 35 HG2 LYS 35 2.872 14.996 0.202 269 HG3 LYS 35 HG3 LYS 35 3.769 13.577 0.746 270 HD2 LYS 35 HD2 LYS 35 4.884 15.357 -1.378 271 HD3 LYS 35 HD3 LYS 35 5.050 15.797 0.322 272 HE2 LYS 35 HE2 LYS 35 5.976 13.215 -0.938 273 HE3 LYS 35 HE3 LYS 35 7.011 14.579 -0.525 274 HZ1 LYS 35 HZ1 LYS 35 5.452 12.918 1.376 275 HZ2 LYS 35 HZ2 LYS 35 6.332 14.292 1.801 276 HZ3 LYS 35 HZ3 LYS 35 7.133 12.933 1.196 277 H ARG 36 H ARG 36 0.155 14.041 -2.198 278 HA ARG 36 HA ARG 36 -1.030 12.155 -3.913 279 HB2 ARG 36 HB2 ARG 36 -1.982 14.121 -5.033 280 HB3 ARG 36 HB3 ARG 36 -2.124 14.210 -3.288 281 HG2 ARG 36 HG2 ARG 36 -0.416 15.804 -3.105 282 HG3 ARG 36 HG3 ARG 36 0.133 15.515 -4.758 283 HD2 ARG 36 HD2 ARG 36 -1.909 16.398 -5.599 284 HD3 ARG 36 HD3 ARG 36 -2.511 16.703 -3.967 285 HE ARG 36 HE ARG 36 0.025 17.948 -4.554 286 HH11 ARG 36 HH11 ARG 36 -3.462 18.370 -4.701 287 HH12 ARG 36 HH12 ARG 36 -3.367 20.096 -4.701 288 HH21 ARG 36 HH21 ARG 36 0.132 20.229 -4.540 289 HH22 ARG 36 HH22 ARG 36 -1.326 21.157 -4.611 290 H HIS 37 H HIS 37 1.887 13.981 -4.174 291 HA HIS 37 HA HIS 37 2.052 13.485 -7.060 292 HB2 HIS 37 HB2 HIS 37 2.336 15.812 -6.074 293 HB3 HIS 37 HB3 HIS 37 3.827 15.229 -5.362 294 HD1 HIS 37 HD1 HIS 37 2.343 16.451 -8.520 295 HD2 HIS 37 HD2 HIS 37 5.900 14.710 -7.274 296 HE1 HIS 37 HE1 HIS 37 3.970 16.821 -10.397 297 HE2 HIS 37 HE2 HIS 37 6.050 15.587 -9.692 298 H THR 38 H THR 38 2.772 12.003 -4.301 299 HA THR 38 HA THR 38 5.465 11.140 -4.965 300 HB THR 38 HB THR 38 3.712 11.123 -2.583 301 HG1 THR 38 HG1 THR 38 5.815 12.351 -3.220 302 HG21 THR 38 HG21 THR 38 4.109 8.708 -2.860 303 HG22 THR 38 HG22 THR 38 4.942 9.345 -1.440 304 HG23 THR 38 HG23 THR 38 5.849 9.001 -2.914 305 HA PRO 39 HA PRO 39 3.927 7.624 -7.127 306 HB2 PRO 39 HB2 PRO 39 6.048 5.921 -6.879 307 HB3 PRO 39 HB3 PRO 39 6.018 7.288 -7.999 308 HG2 PRO 39 HG2 PRO 39 7.309 7.060 -5.320 309 HG3 PRO 39 HG3 PRO 39 7.902 7.851 -6.789 310 HD2 PRO 39 HD2 PRO 39 6.817 9.193 -4.698 311 HD3 PRO 39 HD3 PRO 39 6.716 9.778 -6.376 312 H LEU 40 H LEU 40 2.534 6.135 -6.537 313 HA LEU 40 HA LEU 40 2.274 5.309 -3.853 314 HB2 LEU 40 HB2 LEU 40 0.524 3.708 -4.842 315 HB3 LEU 40 HB3 LEU 40 0.245 5.431 -4.948 316 HG LEU 40 HG LEU 40 1.029 5.361 -7.316 317 HD11 LEU 40 HD11 LEU 40 2.409 3.365 -7.240 318 HD12 LEU 40 HD12 LEU 40 1.143 3.198 -8.452 319 HD13 LEU 40 HD13 LEU 40 0.988 2.377 -6.901 320 HD21 LEU 40 HD21 LEU 40 -1.009 4.303 -8.181 321 HD22 LEU 40 HD22 LEU 40 -1.331 5.334 -6.787 322 HD23 LEU 40 HD23 LEU 40 -1.291 3.581 -6.597 323 H SER 41 H SER 41 4.182 4.101 -6.368 324 HA SER 41 HA SER 41 4.275 1.377 -5.978 325 HB2 SER 41 HB2 SER 41 6.834 1.831 -6.559 326 HB3 SER 41 HB3 SER 41 5.558 2.005 -7.757 327 HG SER 41 HG SER 41 6.191 3.976 -7.932 328 H LYS 42 H LYS 42 5.569 3.914 -3.988 329 HA LYS 42 HA LYS 42 7.405 2.396 -2.507 330 HB2 LYS 42 HB2 LYS 42 5.839 4.769 -1.499 331 HB3 LYS 42 HB3 LYS 42 7.388 4.189 -0.908 332 HG2 LYS 42 HG2 LYS 42 8.297 4.676 -3.228 333 HG3 LYS 42 HG3 LYS 42 6.787 5.536 -3.523 334 HD2 LYS 42 HD2 LYS 42 8.323 7.189 -2.820 335 HD3 LYS 42 HD3 LYS 42 7.317 6.859 -1.404 336 HE2 LYS 42 HE2 LYS 42 9.059 5.294 -0.594 337 HE3 LYS 42 HE3 LYS 42 10.055 5.757 -1.973 338 HZ1 LYS 42 HZ1 LYS 42 10.165 7.993 -1.144 339 HZ2 LYS 42 HZ2 LYS 42 10.640 6.937 0.078 340 HZ3 LYS 42 HZ3 LYS 42 9.107 7.630 0.121 341 H LEU 43 H LEU 43 3.984 3.137 -1.956 342 HA LEU 43 HA LEU 43 3.854 1.571 0.433 343 HB2 LEU 43 HB2 LEU 43 1.567 2.062 0.565 344 HB3 LEU 43 HB3 LEU 43 2.271 3.478 -0.176 345 HG LEU 43 HG LEU 43 1.512 2.363 -2.416 346 HD11 LEU 43 HD11 LEU 43 -0.539 1.037 -2.205 347 HD12 LEU 43 HD12 LEU 43 -0.355 1.025 -0.451 348 HD13 LEU 43 HD13 LEU 43 0.834 0.211 -1.468 349 HD21 LEU 43 HD21 LEU 43 -0.466 3.545 -0.483 350 HD22 LEU 43 HD22 LEU 43 -0.648 3.480 -2.236 351 HD23 LEU 43 HD23 LEU 43 0.636 4.458 -1.516 352 H MET 44 H MET 44 3.292 0.946 -2.962 353 HA MET 44 HA MET 44 1.966 -1.520 -2.682 354 HB2 MET 44 HB2 MET 44 3.768 -0.591 -4.924 355 HB3 MET 44 HB3 MET 44 2.732 -2.008 -4.993 356 HG2 MET 44 HG2 MET 44 0.821 -0.356 -4.484 357 HG3 MET 44 HG3 MET 44 1.976 0.883 -4.978 358 HE1 MET 44 HE1 MET 44 2.794 -0.407 -8.668 359 HE2 MET 44 HE2 MET 44 3.638 -0.783 -7.163 360 HE3 MET 44 HE3 MET 44 3.132 0.873 -7.505 361 H LYS 45 H LYS 45 5.414 -0.793 -3.120 362 HA LYS 45 HA LYS 45 6.191 -3.495 -2.881 363 HB2 LYS 45 HB2 LYS 45 7.743 -0.942 -2.587 364 HB3 LYS 45 HB3 LYS 45 8.476 -2.544 -2.524 365 HG2 LYS 45 HG2 LYS 45 7.442 -2.980 -4.767 366 HG3 LYS 45 HG3 LYS 45 7.037 -1.268 -4.823 367 HD2 LYS 45 HD2 LYS 45 9.345 -0.660 -4.715 368 HD3 LYS 45 HD3 LYS 45 9.817 -2.343 -4.446 369 HE2 LYS 45 HE2 LYS 45 9.023 -2.962 -6.626 370 HE3 LYS 45 HE3 LYS 45 8.406 -1.334 -6.902 371 HZ1 LYS 45 HZ1 LYS 45 10.691 -0.507 -6.758 372 HZ2 LYS 45 HZ2 LYS 45 10.507 -1.617 -8.019 373 HZ3 LYS 45 HZ3 LYS 45 11.262 -2.092 -6.579 374 H ALA 46 H ALA 46 5.752 -0.886 -0.568 375 HA ALA 46 HA ALA 46 6.973 -2.177 1.632 376 HB1 ALA 46 HB1 ALA 46 6.440 0.213 1.640 377 HB2 ALA 46 HB2 ALA 46 5.709 -0.608 3.021 378 HB3 ALA 46 HB3 ALA 46 4.718 -0.168 1.629 379 H TYR 47 H TYR 47 3.789 -2.357 0.179 380 HA TYR 47 HA TYR 47 2.481 -3.798 2.187 381 HB2 TYR 47 HB2 TYR 47 1.222 -2.744 0.427 382 HB3 TYR 47 HB3 TYR 47 2.048 -3.699 -0.797 383 HD1 TYR 47 HD1 TYR 47 -0.518 -3.734 1.817 384 HD2 TYR 47 HD2 TYR 47 1.415 -6.004 -1.206 385 HE1 TYR 47 HE1 TYR 47 -2.307 -5.405 1.942 386 HE2 TYR 47 HE2 TYR 47 -0.372 -7.689 -1.103 387 HH TYR 47 HH TYR 47 -2.049 -8.469 0.605 388 H CYS 48 H CYS 48 4.082 -4.984 -0.819 389 HA CYS 48 HA CYS 48 3.621 -7.691 -0.196 390 HB2 CYS 48 HB2 CYS 48 5.310 -8.180 -1.954 391 HB3 CYS 48 HB3 CYS 48 4.075 -7.048 -2.481 392 HG CYS 48 HG CYS 48 6.539 -5.258 -1.324 393 H GLU 49 H GLU 49 6.273 -5.507 0.579 394 HA GLU 49 HA GLU 49 8.086 -7.397 1.554 395 HB2 GLU 49 HB2 GLU 49 7.612 -4.504 2.214 396 HB3 GLU 49 HB3 GLU 49 8.901 -5.435 2.960 397 HG2 GLU 49 HG2 GLU 49 8.614 -5.210 -0.010 398 HG3 GLU 49 HG3 GLU 49 9.489 -4.022 0.949 399 H ARG 50 H ARG 50 5.555 -5.553 3.255 400 HA ARG 50 HA ARG 50 6.197 -6.789 5.760 401 HB2 ARG 50 HB2 ARG 50 4.364 -5.525 6.684 402 HB3 ARG 50 HB3 ARG 50 5.281 -4.488 5.604 403 HG2 ARG 50 HG2 ARG 50 3.588 -4.846 3.854 404 HG3 ARG 50 HG3 ARG 50 2.656 -5.827 4.986 405 HD2 ARG 50 HD2 ARG 50 3.328 -2.895 5.264 406 HD3 ARG 50 HD3 ARG 50 1.759 -3.596 4.901 407 HE ARG 50 HE ARG 50 2.083 -4.728 7.191 408 HH11 ARG 50 HH11 ARG 50 3.175 -1.496 6.371 409 HH12 ARG 50 HH12 ARG 50 2.985 -0.878 7.970 410 HH21 ARG 50 HH21 ARG 50 1.841 -3.924 9.312 411 HH22 ARG 50 HH22 ARG 50 2.234 -2.279 9.664 412 H GLN 51 H GLN 51 3.901 -7.398 3.190 413 HA GLN 51 HA GLN 51 2.360 -9.235 4.773 414 HB2 GLN 51 HB2 GLN 51 2.261 -8.506 1.859 415 HB3 GLN 51 HB3 GLN 51 1.193 -9.695 2.600 416 HG2 GLN 51 HG2 GLN 51 1.420 -6.811 3.417 417 HG3 GLN 51 HG3 GLN 51 0.154 -7.488 2.394 418 HE21 GLN 51 HE21 GLN 51 1.480 -7.390 5.619 419 HE22 GLN 51 HE22 GLN 51 0.081 -8.009 6.417 420 H GLY 52 H GLY 52 5.169 -9.491 2.734 421 HA2 GLY 52 HA2 GLY 52 6.535 -11.383 2.759 422 HA3 GLY 52 HA3 GLY 52 5.158 -12.347 3.272 423 H LEU 53 H LEU 53 4.266 -10.365 0.712 424 HA LEU 53 HA LEU 53 4.453 -12.633 -1.128 425 HB2 LEU 53 HB2 LEU 53 2.789 -10.118 -1.227 426 HB3 LEU 53 HB3 LEU 53 2.866 -11.272 -2.540 427 HG LEU 53 HG LEU 53 0.861 -11.719 -1.400 428 HD11 LEU 53 HD11 LEU 53 2.127 -13.714 -1.993 429 HD12 LEU 53 HD12 LEU 53 1.121 -13.972 -0.569 430 HD13 LEU 53 HD13 LEU 53 2.857 -13.727 -0.388 431 HD21 LEU 53 HD21 LEU 53 0.676 -12.066 0.996 432 HD22 LEU 53 HD22 LEU 53 1.353 -10.471 0.642 433 HD23 LEU 53 HD23 LEU 53 2.406 -11.776 1.185 434 H SER 54 H SER 54 4.662 -11.909 -3.530 435 HA SER 54 HA SER 54 6.853 -9.966 -3.696 436 HB2 SER 54 HB2 SER 54 6.478 -12.580 -5.147 437 HB3 SER 54 HB3 SER 54 7.723 -11.409 -5.552 438 HG SER 54 HG SER 54 7.864 -11.809 -2.948 439 H MET 55 H MET 55 7.067 -8.869 -5.767 440 HA MET 55 HA MET 55 4.629 -7.869 -6.744 441 HB2 MET 55 HB2 MET 55 7.479 -7.557 -7.607 442 HB3 MET 55 HB3 MET 55 6.183 -6.930 -8.621 443 HG2 MET 55 HG2 MET 55 6.639 -6.256 -5.736 444 HG3 MET 55 HG3 MET 55 7.092 -5.248 -7.112 445 HE1 MET 55 HE1 MET 55 5.124 -4.727 -4.500 446 HE2 MET 55 HE2 MET 55 3.909 -3.671 -5.220 447 HE3 MET 55 HE3 MET 55 5.620 -3.414 -5.569 448 H ARG 56 H ARG 56 6.584 -10.511 -7.818 449 HA ARG 56 HA ARG 56 5.159 -10.751 -10.328 450 HB2 ARG 56 HB2 ARG 56 6.459 -12.843 -10.651 451 HB3 ARG 56 HB3 ARG 56 7.476 -11.445 -10.356 452 HG2 ARG 56 HG2 ARG 56 6.757 -12.988 -7.966 453 HG3 ARG 56 HG3 ARG 56 7.768 -13.836 -9.138 454 HD2 ARG 56 HD2 ARG 56 8.343 -11.134 -7.933 455 HD3 ARG 56 HD3 ARG 56 9.094 -12.652 -7.436 456 HE ARG 56 HE ARG 56 9.458 -11.335 -10.048 457 HH11 ARG 56 HH11 ARG 56 10.582 -13.590 -7.589 458 HH12 ARG 56 HH12 ARG 56 12.114 -13.845 -8.342 459 HH21 ARG 56 HH21 ARG 56 11.496 -11.679 -11.043 460 HH22 ARG 56 HH22 ARG 56 12.637 -12.756 -10.316 461 H GLN 57 H GLN 57 4.654 -11.551 -7.162 462 HA GLN 57 HA GLN 57 3.091 -13.946 -7.684 463 HB2 GLN 57 HB2 GLN 57 4.362 -12.717 -5.328 464 HB3 GLN 57 HB3 GLN 57 2.815 -13.503 -5.017 465 HG2 GLN 57 HG2 GLN 57 4.679 -15.002 -4.621 466 HG3 GLN 57 HG3 GLN 57 3.681 -15.580 -5.956 467 HE21 GLN 57 HE21 GLN 57 4.494 -15.356 -8.077 468 HE22 GLN 57 HE22 GLN 57 6.191 -15.239 -8.365 469 H ILE 58 H ILE 58 2.663 -10.588 -6.877 470 HA ILE 58 HA ILE 58 -0.243 -11.033 -6.990 471 HB ILE 58 HB ILE 58 -0.680 -9.511 -5.195 472 HG12 ILE 58 HG12 ILE 58 2.310 -9.044 -5.174 473 HG13 ILE 58 HG13 ILE 58 1.036 -7.879 -5.528 474 HG21 ILE 58 HG21 ILE 58 0.298 -10.702 -3.301 475 HG22 ILE 58 HG22 ILE 58 1.506 -11.413 -4.375 476 HG23 ILE 58 HG23 ILE 58 -0.195 -11.830 -4.571 477 HD11 ILE 58 HD11 ILE 58 1.483 -9.177 -2.853 478 HD12 ILE 58 HD12 ILE 58 0.284 -7.944 -3.237 479 HD13 ILE 58 HD13 ILE 58 2.004 -7.553 -3.303 480 H ARG 59 H ARG 59 -1.338 -8.768 -7.046 481 HA ARG 59 HA ARG 59 0.141 -6.815 -8.576 482 HB2 ARG 59 HB2 ARG 59 -1.906 -8.583 -9.789 483 HB3 ARG 59 HB3 ARG 59 -1.986 -6.880 -10.213 484 HG2 ARG 59 HG2 ARG 59 0.434 -8.643 -10.545 485 HG3 ARG 59 HG3 ARG 59 -0.690 -8.186 -11.828 486 HD2 ARG 59 HD2 ARG 59 -0.148 -5.802 -11.362 487 HD3 ARG 59 HD3 ARG 59 1.077 -6.343 -10.221 488 HE ARG 59 HE ARG 59 1.792 -7.644 -12.438 489 HH11 ARG 59 HH11 ARG 59 0.997 -4.256 -11.898 490 HH12 ARG 59 HH12 ARG 59 2.014 -3.686 -13.168 491 HH21 ARG 59 HH21 ARG 59 3.140 -6.883 -14.113 492 HH22 ARG 59 HH22 ARG 59 3.238 -5.184 -14.439 493 H PHE 60 H PHE 60 -0.701 -4.802 -8.514 494 HA PHE 60 HA PHE 60 -2.915 -4.394 -6.652 495 HB2 PHE 60 HB2 PHE 60 -0.757 -2.511 -7.641 496 HB3 PHE 60 HB3 PHE 60 -2.041 -2.064 -6.526 497 HD1 PHE 60 HD1 PHE 60 0.743 -4.511 -6.899 498 HD2 PHE 60 HD2 PHE 60 -1.685 -2.228 -4.262 499 HE1 PHE 60 HE1 PHE 60 2.127 -5.238 -5.004 500 HE2 PHE 60 HE2 PHE 60 -0.309 -2.944 -2.364 501 HZ PHE 60 HZ PHE 60 1.603 -4.458 -2.730 502 H ARG 61 H ARG 61 -4.710 -3.209 -7.232 503 HA ARG 61 HA ARG 61 -4.877 -2.190 -9.964 504 HB2 ARG 61 HB2 ARG 61 -5.581 -4.446 -10.156 505 HB3 ARG 61 HB3 ARG 61 -6.573 -4.319 -8.715 506 HG2 ARG 61 HG2 ARG 61 -7.437 -2.414 -10.671 507 HG3 ARG 61 HG3 ARG 61 -7.360 -4.031 -11.380 508 HD2 ARG 61 HD2 ARG 61 -8.493 -4.715 -9.124 509 HD3 ARG 61 HD3 ARG 61 -8.989 -3.024 -9.109 510 HE ARG 61 HE ARG 61 -9.807 -3.674 -11.505 511 HH11 ARG 61 HH11 ARG 61 -9.956 -5.684 -8.608 512 HH12 ARG 61 HH12 ARG 61 -11.459 -6.409 -9.052 513 HH21 ARG 61 HH21 ARG 61 -11.807 -4.665 -12.086 514 HH22 ARG 61 HH22 ARG 61 -12.513 -5.832 -11.027 515 H PHE 62 H PHE 62 -6.216 -0.463 -10.195 516 HA PHE 62 HA PHE 62 -8.052 0.265 -8.046 517 HB2 PHE 62 HB2 PHE 62 -5.907 1.366 -7.493 518 HB3 PHE 62 HB3 PHE 62 -5.904 2.143 -9.071 519 HD1 PHE 62 HD1 PHE 62 -7.547 1.993 -5.797 520 HD2 PHE 62 HD2 PHE 62 -7.256 4.060 -9.498 521 HE1 PHE 62 HE1 PHE 62 -8.829 3.862 -4.853 522 HE2 PHE 62 HE2 PHE 62 -8.537 5.937 -8.560 523 HZ PHE 62 HZ PHE 62 -9.325 5.838 -6.231 524 H ASP 63 H ASP 63 -9.700 1.610 -8.745 525 HA ASP 63 HA ASP 63 -11.313 2.330 -10.241 526 HB2 ASP 63 HB2 ASP 63 -9.280 3.879 -10.678 527 HB3 ASP 63 HB3 ASP 63 -9.078 2.960 -12.147 528 H GLY 64 H GLY 64 -10.126 -0.398 -10.426 529 HA2 GLY 64 HA2 GLY 64 -10.842 -2.203 -11.629 530 HA3 GLY 64 HA3 GLY 64 -11.390 -1.146 -12.917 531 H GLN 65 H GLN 65 -8.708 0.205 -12.804 532 HA GLN 65 HA GLN 65 -7.434 -1.577 -14.733 533 HB2 GLN 65 HB2 GLN 65 -6.003 0.410 -15.250 534 HB3 GLN 65 HB3 GLN 65 -7.722 0.687 -15.479 535 HG2 GLN 65 HG2 GLN 65 -7.820 1.821 -13.320 536 HG3 GLN 65 HG3 GLN 65 -6.092 1.566 -13.106 537 HE21 GLN 65 HE21 GLN 65 -5.682 3.734 -12.979 538 HE22 GLN 65 HE22 GLN 65 -5.769 4.797 -14.333 539 HA PRO 66 HA PRO 66 -4.209 -2.849 -12.007 540 HB2 PRO 66 HB2 PRO 66 -2.217 -3.340 -13.823 541 HB3 PRO 66 HB3 PRO 66 -3.569 -4.435 -13.527 542 HG2 PRO 66 HG2 PRO 66 -3.111 -2.559 -15.778 543 HG3 PRO 66 HG3 PRO 66 -3.971 -4.105 -15.753 544 HD2 PRO 66 HD2 PRO 66 -5.180 -1.603 -15.756 545 HD3 PRO 66 HD3 PRO 66 -5.953 -3.114 -15.249 546 H ILE 67 H ILE 67 -2.547 -1.952 -10.893 547 HA ILE 67 HA ILE 67 -1.792 0.760 -11.661 548 HB ILE 67 HB ILE 67 -1.154 -0.723 -9.102 549 HG12 ILE 67 HG12 ILE 67 -3.458 1.145 -9.687 550 HG13 ILE 67 HG13 ILE 67 -3.584 -0.591 -9.428 551 HG21 ILE 67 HG21 ILE 67 0.260 1.208 -9.522 552 HG22 ILE 67 HG22 ILE 67 -0.833 1.510 -8.169 553 HG23 ILE 67 HG23 ILE 67 -1.168 2.218 -9.750 554 HD11 ILE 67 HD11 ILE 67 -2.757 1.495 -7.429 555 HD12 ILE 67 HD12 ILE 67 -2.656 -0.241 -7.146 556 HD13 ILE 67 HD13 ILE 67 -4.222 0.514 -7.420 557 H ASN 68 H ASN 68 0.358 1.483 -11.791 558 HA ASN 68 HA ASN 68 2.392 -0.638 -12.131 559 HB2 ASN 68 HB2 ASN 68 2.829 2.037 -13.333 560 HB3 ASN 68 HB3 ASN 68 3.291 0.451 -13.922 561 HD21 ASN 68 HD21 ASN 68 0.932 2.907 -13.896 562 HD22 ASN 68 HD22 ASN 68 -0.088 2.262 -15.107 563 H GLU 69 H GLU 69 4.604 0.435 -11.918 564 HA GLU 69 HA GLU 69 4.711 1.456 -9.254 565 HB2 GLU 69 HB2 GLU 69 7.139 1.356 -9.548 566 HB3 GLU 69 HB3 GLU 69 6.386 -0.149 -10.065 567 HG2 GLU 69 HG2 GLU 69 7.118 2.050 -11.967 568 HG3 GLU 69 HG3 GLU 69 8.242 0.761 -11.529 569 H THR 70 H THR 70 4.615 2.741 -12.377 570 HA THR 70 HA THR 70 5.791 5.285 -11.617 571 HB THR 70 HB THR 70 6.509 4.318 -13.734 572 HG1 THR 70 HG1 THR 70 5.410 6.203 -15.080 573 HG21 THR 70 HG21 THR 70 4.532 3.046 -14.211 574 HG22 THR 70 HG22 THR 70 4.927 4.085 -15.588 575 HG23 THR 70 HG23 THR 70 3.612 4.522 -14.487 576 H ASP 71 H ASP 71 2.999 3.978 -11.062 577 HA ASP 71 HA ASP 71 1.171 5.967 -12.064 578 HB2 ASP 71 HB2 ASP 71 0.969 3.467 -10.574 579 HB3 ASP 71 HB3 ASP 71 -0.152 4.703 -10.023 580 H THR 72 H THR 72 0.515 7.763 -11.083 581 HA THR 72 HA THR 72 1.435 8.257 -8.344 582 HB THR 72 HB THR 72 0.703 10.712 -9.256 583 HG1 THR 72 HG1 THR 72 2.175 10.072 -11.448 584 HG21 THR 72 HG21 THR 72 3.409 9.394 -9.546 585 HG22 THR 72 HG22 THR 72 2.777 10.193 -8.102 586 HG23 THR 72 HG23 THR 72 3.112 11.134 -9.556 587 HA PRO 73 HA PRO 73 -2.722 7.998 -6.949 588 HB2 PRO 73 HB2 PRO 73 -2.550 9.951 -4.962 589 HB3 PRO 73 HB3 PRO 73 -2.129 8.247 -4.770 590 HG2 PRO 73 HG2 PRO 73 -0.358 10.592 -5.269 591 HG3 PRO 73 HG3 PRO 73 -0.065 9.145 -4.287 592 HD2 PRO 73 HD2 PRO 73 1.028 9.515 -6.701 593 HD3 PRO 73 HD3 PRO 73 0.566 7.898 -6.117 594 H ALA 74 H ALA 74 -1.335 11.168 -7.575 595 HA ALA 74 HA ALA 74 -3.828 12.519 -7.666 596 HB1 ALA 74 HB1 ALA 74 -2.532 14.415 -8.511 597 HB2 ALA 74 HB2 ALA 74 -1.145 13.348 -8.757 598 HB3 ALA 74 HB3 ALA 74 -1.736 13.659 -7.128 599 H GLN 75 H GLN 75 -2.191 10.523 -9.902 600 HA GLN 75 HA GLN 75 -3.262 11.772 -12.255 601 HB2 GLN 75 HB2 GLN 75 -1.330 9.748 -11.711 602 HB3 GLN 75 HB3 GLN 75 -2.535 9.078 -12.793 603 HG2 GLN 75 HG2 GLN 75 -0.669 10.076 -14.020 604 HG3 GLN 75 HG3 GLN 75 -2.202 10.864 -14.380 605 HE21 GLN 75 HE21 GLN 75 -0.240 11.369 -11.499 606 HE22 GLN 75 HE22 GLN 75 0.144 13.023 -11.823 607 H LEU 76 H LEU 76 -4.187 9.128 -10.139 608 HA LEU 76 HA LEU 76 -6.434 8.462 -11.864 609 HB2 LEU 76 HB2 LEU 76 -6.070 7.343 -9.109 610 HB3 LEU 76 HB3 LEU 76 -6.798 6.595 -10.512 611 HG LEU 76 HG LEU 76 -4.207 6.916 -11.340 612 HD11 LEU 76 HD11 LEU 76 -3.569 7.692 -9.104 613 HD12 LEU 76 HD12 LEU 76 -2.764 6.188 -9.566 614 HD13 LEU 76 HD13 LEU 76 -4.120 6.151 -8.436 615 HD21 LEU 76 HD21 LEU 76 -4.005 4.522 -11.013 616 HD22 LEU 76 HD22 LEU 76 -5.633 4.916 -11.568 617 HD23 LEU 76 HD23 LEU 76 -5.345 4.539 -9.869 618 H GLU 77 H GLU 77 -5.766 10.808 -9.694 619 HA GLU 77 HA GLU 77 -6.939 12.307 -8.463 620 HB2 GLU 77 HB2 GLU 77 -9.242 11.345 -10.168 621 HB3 GLU 77 HB3 GLU 77 -9.236 12.817 -9.207 622 HG2 GLU 77 HG2 GLU 77 -7.373 13.668 -10.569 623 HG3 GLU 77 HG3 GLU 77 -7.453 12.208 -11.556 624 H MET 78 H MET 78 -6.578 9.786 -7.339 625 HA MET 78 HA MET 78 -9.007 8.856 -6.145 626 HB2 MET 78 HB2 MET 78 -7.594 7.289 -4.967 627 HB3 MET 78 HB3 MET 78 -7.093 7.380 -6.649 628 HG2 MET 78 HG2 MET 78 -5.418 9.173 -5.674 629 HG3 MET 78 HG3 MET 78 -5.678 8.250 -4.198 630 HE1 MET 78 HE1 MET 78 -6.281 5.374 -5.808 631 HE2 MET 78 HE2 MET 78 -5.451 5.476 -4.254 632 HE3 MET 78 HE3 MET 78 -4.703 4.618 -5.602 633 H GLU 79 H GLU 79 -9.276 8.750 -3.761 634 HA GLU 79 HA GLU 79 -8.474 11.324 -2.575 635 HB2 GLU 79 HB2 GLU 79 -10.539 11.287 -1.344 636 HB3 GLU 79 HB3 GLU 79 -10.900 11.030 -3.046 637 HG2 GLU 79 HG2 GLU 79 -10.951 8.562 -2.547 638 HG3 GLU 79 HG3 GLU 79 -10.848 8.988 -0.849 639 H ASP 80 H ASP 80 -8.269 11.295 -0.127 640 HA ASP 80 HA ASP 80 -6.755 9.178 0.803 641 HB2 ASP 80 HB2 ASP 80 -7.161 10.178 3.062 642 HB3 ASP 80 HB3 ASP 80 -6.572 11.326 1.863 643 H GLU 81 H GLU 81 -7.160 7.592 2.218 644 HA GLU 81 HA GLU 81 -8.189 5.896 3.287 645 HB2 GLU 81 HB2 GLU 81 -10.639 7.625 3.023 646 HB3 GLU 81 HB3 GLU 81 -10.580 6.112 3.921 647 HG2 GLU 81 HG2 GLU 81 -8.738 8.397 4.477 648 HG3 GLU 81 HG3 GLU 81 -10.303 8.249 5.247 649 H ASP 82 H ASP 82 -8.248 6.494 0.230 650 HA ASP 82 HA ASP 82 -10.379 4.811 -0.690 651 HB2 ASP 82 HB2 ASP 82 -8.862 6.631 -1.965 652 HB3 ASP 82 HB3 ASP 82 -8.003 5.164 -2.434 653 H THR 83 H THR 83 -10.033 2.760 -1.859 654 HA THR 83 HA THR 83 -7.977 1.189 -0.463 655 HB THR 83 HB THR 83 -10.711 0.235 -1.331 656 HG1 THR 83 HG1 THR 83 -11.116 1.423 0.421 657 HG21 THR 83 HG21 THR 83 -10.184 -1.751 0.009 658 HG22 THR 83 HG22 THR 83 -8.581 -1.103 0.353 659 HG23 THR 83 HG23 THR 83 -9.016 -1.551 -1.296 660 H ILE 84 H ILE 84 -6.722 -0.142 -1.523 661 HA ILE 84 HA ILE 84 -6.783 -0.214 -4.458 662 HB ILE 84 HB ILE 84 -4.630 -1.150 -2.536 663 HG12 ILE 84 HG12 ILE 84 -4.954 1.286 -2.393 664 HG13 ILE 84 HG13 ILE 84 -3.399 0.879 -3.108 665 HG21 ILE 84 HG21 ILE 84 -3.168 -1.081 -4.527 666 HG22 ILE 84 HG22 ILE 84 -4.605 -0.829 -5.521 667 HG23 ILE 84 HG23 ILE 84 -4.423 -2.319 -4.588 668 HD11 ILE 84 HD11 ILE 84 -4.315 1.338 -5.323 669 HD12 ILE 84 HD12 ILE 84 -4.417 2.735 -4.253 670 HD13 ILE 84 HD13 ILE 84 -5.857 1.774 -4.586 671 H ASP 85 H ASP 85 -6.982 -2.158 -5.585 672 HA ASP 85 HA ASP 85 -7.831 -4.476 -3.995 673 HB2 ASP 85 HB2 ASP 85 -9.356 -3.636 -5.777 674 HB3 ASP 85 HB3 ASP 85 -8.100 -3.966 -6.964 675 H VAL 86 H VAL 86 -6.355 -5.998 -3.632 676 HA VAL 86 HA VAL 86 -4.244 -6.401 -5.651 677 HB VAL 86 HB VAL 86 -4.143 -6.851 -2.663 678 HG11 VAL 86 HG11 VAL 86 -1.860 -7.655 -2.975 679 HG12 VAL 86 HG12 VAL 86 -2.043 -7.530 -4.725 680 HG13 VAL 86 HG13 VAL 86 -3.004 -8.701 -3.819 681 HG21 VAL 86 HG21 VAL 86 -3.827 -4.564 -3.404 682 HG22 VAL 86 HG22 VAL 86 -2.546 -5.090 -4.496 683 HG23 VAL 86 HG23 VAL 86 -2.336 -5.238 -2.751 684 H PHE 87 H PHE 87 -3.884 -8.374 -6.442 685 HA PHE 87 HA PHE 87 -5.411 -10.599 -5.376 686 HB2 PHE 87 HB2 PHE 87 -5.993 -11.201 -7.825 687 HB3 PHE 87 HB3 PHE 87 -6.957 -9.984 -7.000 688 HD1 PHE 87 HD1 PHE 87 -6.821 -7.646 -7.639 689 HD2 PHE 87 HD2 PHE 87 -4.532 -10.620 -9.634 690 HE1 PHE 87 HE1 PHE 87 -6.390 -6.087 -9.462 691 HE2 PHE 87 HE2 PHE 87 -4.093 -9.047 -11.474 692 HZ PHE 87 HZ PHE 87 -5.025 -6.773 -11.391 693 H GLN 88 H GLN 88 -4.627 -12.695 -6.130 694 HA GLN 88 HA GLN 88 -1.754 -12.618 -6.251 695 HB2 GLN 88 HB2 GLN 88 -3.274 -14.216 -4.891 696 HB3 GLN 88 HB3 GLN 88 -3.442 -15.093 -6.399 697 HG2 GLN 88 HG2 GLN 88 -1.726 -16.176 -5.203 698 HG3 GLN 88 HG3 GLN 88 -0.937 -15.243 -6.473 699 HE21 GLN 88 HE21 GLN 88 -2.198 -13.695 -3.602 700 HE22 GLN 88 HE22 GLN 88 -0.665 -13.331 -2.906 701 H GLN 89 H GLN 89 -0.798 -12.334 -8.114 702 HA GLN 89 HA GLN 89 -1.882 -13.608 -10.537 703 HB2 GLN 89 HB2 GLN 89 -0.221 -11.153 -10.123 704 HB3 GLN 89 HB3 GLN 89 -0.236 -11.966 -11.682 705 HG2 GLN 89 HG2 GLN 89 -2.634 -10.866 -10.242 706 HG3 GLN 89 HG3 GLN 89 -1.815 -10.120 -11.612 707 HE21 GLN 89 HE21 GLN 89 -4.577 -10.992 -11.390 708 HE22 GLN 89 HE22 GLN 89 -4.828 -12.146 -12.646 709 H GLN 90 H GLN 90 -0.243 -14.981 -8.542 710 HA GLN 90 HA GLN 90 2.399 -15.316 -9.429 711 HB2 GLN 90 HB2 GLN 90 1.615 -16.113 -7.241 712 HB3 GLN 90 HB3 GLN 90 0.585 -17.297 -8.030 713 HG2 GLN 90 HG2 GLN 90 2.674 -18.288 -9.023 714 HG3 GLN 90 HG3 GLN 90 3.583 -17.236 -7.939 715 HE21 GLN 90 HE21 GLN 90 3.537 -17.634 -5.727 716 HE22 GLN 90 HE22 GLN 90 2.971 -19.125 -5.068 717 H THR 91 H THR 91 2.614 -15.578 -11.603 718 HA THR 91 HA THR 91 1.769 -18.127 -12.714 719 HB THR 91 HB THR 91 1.275 -16.741 -14.902 720 HG1 THR 91 HG1 THR 91 0.934 -14.850 -12.803 721 HG21 THR 91 HG21 THR 91 -1.110 -16.666 -14.317 722 HG22 THR 91 HG22 THR 91 -0.697 -16.872 -12.614 723 HG23 THR 91 HG23 THR 91 -0.364 -18.166 -13.766 724 H GLY 92 H GLY 92 3.116 -18.854 -14.423 725 HA2 GLY 92 HA2 GLY 92 4.888 -18.387 -16.020 726 HA3 GLY 92 HA3 GLY 92 5.517 -17.208 -14.877 727 H GLY 93 H GLY 93 5.158 -18.872 -12.562 728 HA2 GLY 93 HA2 GLY 93 6.091 -21.377 -12.506 729 HA3 GLY 93 HA3 GLY 93 7.555 -20.455 -12.830 Start of MODEL 13 1 H MET 1 H MET 1 17.488 35.576 -6.997 2 HA MET 1 HA MET 1 18.566 33.737 -5.904 3 HB2 MET 1 HB2 MET 1 19.990 35.030 -4.412 4 HB3 MET 1 HB3 MET 1 19.621 35.952 -5.856 5 HG2 MET 1 HG2 MET 1 17.921 37.207 -4.583 6 HG3 MET 1 HG3 MET 1 18.379 36.311 -3.137 7 HE1 MET 1 HE1 MET 1 18.324 39.478 -3.313 8 HE2 MET 1 HE2 MET 1 19.841 39.930 -2.540 9 HE3 MET 1 HE3 MET 1 18.847 38.650 -1.846 10 H ALA 2 H ALA 2 15.685 34.567 -4.497 11 HA ALA 2 HA ALA 2 16.236 32.844 -2.184 12 HB1 ALA 2 HB1 ALA 2 14.513 34.117 -0.964 13 HB2 ALA 2 HB2 ALA 2 14.337 35.197 -2.346 14 HB3 ALA 2 HB3 ALA 2 15.855 35.153 -1.448 15 H ASP 3 H ASP 3 15.390 32.348 -4.940 16 HA ASP 3 HA ASP 3 12.582 31.709 -4.843 17 HB2 ASP 3 HB2 ASP 3 13.040 30.850 -7.167 18 HB3 ASP 3 HB3 ASP 3 13.374 32.560 -6.913 19 H GLU 4 H GLU 4 15.218 30.213 -3.613 20 HA GLU 4 HA GLU 4 14.048 27.555 -4.070 21 HB2 GLU 4 HB2 GLU 4 16.886 28.255 -3.323 22 HB3 GLU 4 HB3 GLU 4 16.249 26.622 -3.413 23 HG2 GLU 4 HG2 GLU 4 15.696 27.123 -5.830 24 HG3 GLU 4 HG3 GLU 4 16.687 28.571 -5.649 25 H LYS 5 H LYS 5 12.666 27.348 -2.499 26 HA LYS 5 HA LYS 5 11.654 27.207 -0.451 27 HB2 LYS 5 HB2 LYS 5 12.713 25.807 1.076 28 HB3 LYS 5 HB3 LYS 5 13.618 25.470 -0.385 29 HG2 LYS 5 HG2 LYS 5 15.422 26.900 0.354 30 HG3 LYS 5 HG3 LYS 5 14.499 27.365 1.784 31 HD2 LYS 5 HD2 LYS 5 14.488 24.967 2.470 32 HD3 LYS 5 HD3 LYS 5 15.564 24.625 1.112 33 HE2 LYS 5 HE2 LYS 5 16.848 24.888 3.155 34 HE3 LYS 5 HE3 LYS 5 17.207 26.200 2.030 35 HZ1 LYS 5 HZ1 LYS 5 15.610 27.587 3.290 36 HZ2 LYS 5 HZ2 LYS 5 16.934 27.094 4.215 37 HZ3 LYS 5 HZ3 LYS 5 15.440 26.332 4.413 38 HA PRO 6 HA PRO 6 12.328 30.891 1.992 39 HB2 PRO 6 HB2 PRO 6 11.171 30.327 4.326 40 HB3 PRO 6 HB3 PRO 6 10.209 30.398 2.841 41 HG2 PRO 6 HG2 PRO 6 11.298 28.023 4.293 42 HG3 PRO 6 HG3 PRO 6 9.677 28.263 3.611 43 HD2 PRO 6 HD2 PRO 6 11.668 26.866 2.335 44 HD3 PRO 6 HD3 PRO 6 10.358 27.706 1.482 45 H LYS 7 H LYS 7 13.053 31.521 4.383 46 HA LYS 7 HA LYS 7 15.508 29.997 4.845 47 HB2 LYS 7 HB2 LYS 7 16.234 32.035 6.215 48 HB3 LYS 7 HB3 LYS 7 16.147 32.223 4.476 49 HG2 LYS 7 HG2 LYS 7 15.262 34.198 5.394 50 HG3 LYS 7 HG3 LYS 7 13.874 33.268 4.832 51 HD2 LYS 7 HD2 LYS 7 13.471 32.486 7.089 52 HD3 LYS 7 HD3 LYS 7 14.880 33.372 7.672 53 HE2 LYS 7 HE2 LYS 7 12.412 34.590 6.422 54 HE3 LYS 7 HE3 LYS 7 12.811 34.599 8.136 55 HZ1 LYS 7 HZ1 LYS 7 14.827 35.882 7.577 56 HZ2 LYS 7 HZ2 LYS 7 13.408 36.694 7.161 57 HZ3 LYS 7 HZ3 LYS 7 14.330 35.946 5.964 58 H GLU 8 H GLU 8 12.467 30.574 6.193 59 HA GLU 8 HA GLU 8 13.302 29.037 8.533 60 HB2 GLU 8 HB2 GLU 8 11.346 30.165 9.768 61 HB3 GLU 8 HB3 GLU 8 12.821 31.086 9.559 62 HG2 GLU 8 HG2 GLU 8 10.984 32.544 9.188 63 HG3 GLU 8 HG3 GLU 8 11.739 32.247 7.633 64 H GLY 9 H GLY 9 11.886 27.424 9.245 65 HA2 GLY 9 HA2 GLY 9 9.535 26.922 7.625 66 HA3 GLY 9 HA3 GLY 9 10.857 25.785 7.414 67 H VAL 10 H VAL 10 8.524 27.065 9.664 68 HA VAL 10 HA VAL 10 9.105 25.310 11.813 69 HB VAL 10 HB VAL 10 6.442 26.583 11.122 70 HG11 VAL 10 HG11 VAL 10 5.961 26.385 13.504 71 HG12 VAL 10 HG12 VAL 10 7.517 25.595 13.761 72 HG13 VAL 10 HG13 VAL 10 6.279 24.804 12.788 73 HG21 VAL 10 HG21 VAL 10 7.104 28.399 12.622 74 HG22 VAL 10 HG22 VAL 10 8.197 28.269 11.244 75 HG23 VAL 10 HG23 VAL 10 8.690 27.655 12.823 76 H LYS 11 H LYS 11 8.486 23.209 12.155 77 HA LYS 11 HA LYS 11 7.627 21.721 9.912 78 HB2 LYS 11 HB2 LYS 11 9.087 20.698 11.555 79 HB3 LYS 11 HB3 LYS 11 7.863 20.888 12.803 80 HG2 LYS 11 HG2 LYS 11 7.942 18.593 12.016 81 HG3 LYS 11 HG3 LYS 11 6.395 19.339 11.616 82 HD2 LYS 11 HD2 LYS 11 7.315 19.802 9.323 83 HD3 LYS 11 HD3 LYS 11 8.727 18.841 9.761 84 HE2 LYS 11 HE2 LYS 11 7.201 17.445 8.533 85 HE3 LYS 11 HE3 LYS 11 7.201 16.925 10.217 86 HZ1 LYS 11 HZ1 LYS 11 5.156 18.223 10.540 87 HZ2 LYS 11 HZ2 LYS 11 4.954 17.005 9.397 88 HZ3 LYS 11 HZ3 LYS 11 5.134 18.611 8.895 89 H THR 12 H THR 12 5.691 21.933 9.140 90 HA THR 12 HA THR 12 3.405 21.404 10.880 91 HB THR 12 HB THR 12 2.273 23.175 9.209 92 HG1 THR 12 HG1 THR 12 5.004 23.974 9.488 93 HG21 THR 12 HG21 THR 12 2.160 23.186 11.644 94 HG22 THR 12 HG22 THR 12 2.421 24.811 11.004 95 HG23 THR 12 HG23 THR 12 3.764 23.915 11.722 96 H GLU 13 H GLU 13 1.394 21.546 8.991 97 HA GLU 13 HA GLU 13 2.021 19.307 7.346 98 HB2 GLU 13 HB2 GLU 13 -0.438 21.042 7.406 99 HB3 GLU 13 HB3 GLU 13 -0.288 19.531 6.527 100 HG2 GLU 13 HG2 GLU 13 -0.029 18.308 8.603 101 HG3 GLU 13 HG3 GLU 13 -0.080 19.815 9.518 102 H ASN 14 H ASN 14 3.742 20.301 6.140 103 HA ASN 14 HA ASN 14 3.040 22.486 4.358 104 HB2 ASN 14 HB2 ASN 14 5.681 21.054 4.692 105 HB3 ASN 14 HB3 ASN 14 5.412 22.564 3.827 106 HD21 ASN 14 HD21 ASN 14 3.526 23.568 5.837 107 HD22 ASN 14 HD22 ASN 14 4.494 24.025 7.194 108 H ASN 15 H ASN 15 3.469 19.076 4.280 109 HA ASN 15 HA ASN 15 3.441 19.124 1.354 110 HB2 ASN 15 HB2 ASN 15 4.182 16.951 3.311 111 HB3 ASN 15 HB3 ASN 15 3.962 16.650 1.591 112 HD21 ASN 15 HD21 ASN 15 5.938 18.187 4.002 113 HD22 ASN 15 HD22 ASN 15 7.299 18.487 2.980 114 H ASP 16 H ASP 16 1.704 18.605 0.295 115 HA ASP 16 HA ASP 16 -0.666 17.924 1.813 116 HB2 ASP 16 HB2 ASP 16 -1.965 18.355 -0.189 117 HB3 ASP 16 HB3 ASP 16 -0.805 19.656 0.026 118 H HIS 17 H HIS 17 -0.897 15.949 2.391 119 HA HIS 17 HA HIS 17 -0.222 13.805 0.498 120 HB2 HIS 17 HB2 HIS 17 0.496 12.428 2.382 121 HB3 HIS 17 HB3 HIS 17 1.399 13.937 2.353 122 HD1 HIS 17 HD1 HIS 17 1.014 15.591 4.317 123 HD2 HIS 17 HD2 HIS 17 -1.224 12.093 4.589 124 HE1 HIS 17 HE1 HIS 17 0.089 15.556 6.649 125 HE2 HIS 17 HE2 HIS 17 -0.986 13.296 6.864 126 H ILE 18 H ILE 18 -1.332 11.756 0.882 127 HA ILE 18 HA ILE 18 -3.936 12.055 2.182 128 HB ILE 18 HB ILE 18 -4.960 10.712 0.327 129 HG12 ILE 18 HG12 ILE 18 -2.469 11.449 -1.221 130 HG13 ILE 18 HG13 ILE 18 -2.774 9.851 -0.551 131 HG21 ILE 18 HG21 ILE 18 -5.223 12.587 -1.224 132 HG22 ILE 18 HG22 ILE 18 -3.842 13.392 -0.481 133 HG23 ILE 18 HG23 ILE 18 -5.311 13.116 0.457 134 HD11 ILE 18 HD11 ILE 18 -4.763 9.644 -1.956 135 HD12 ILE 18 HD12 ILE 18 -3.311 9.927 -2.914 136 HD13 ILE 18 HD13 ILE 18 -4.451 11.245 -2.631 137 H ASN 19 H ASN 19 -4.982 9.807 2.325 138 HA ASN 19 HA ASN 19 -2.910 7.889 3.152 139 HB2 ASN 19 HB2 ASN 19 -4.346 8.614 4.998 140 HB3 ASN 19 HB3 ASN 19 -5.784 8.210 4.070 141 HD21 ASN 19 HD21 ASN 19 -3.127 6.961 5.937 142 HD22 ASN 19 HD22 ASN 19 -3.741 5.360 6.095 143 H LEU 20 H LEU 20 -2.844 5.939 2.210 144 HA LEU 20 HA LEU 20 -5.108 5.211 0.485 145 HB2 LEU 20 HB2 LEU 20 -2.165 4.864 -0.104 146 HB3 LEU 20 HB3 LEU 20 -3.425 4.029 -0.983 147 HG LEU 20 HG LEU 20 -2.830 5.819 -2.364 148 HD11 LEU 20 HD11 LEU 20 -5.251 5.582 -2.056 149 HD12 LEU 20 HD12 LEU 20 -4.763 7.219 -2.490 150 HD13 LEU 20 HD13 LEU 20 -5.198 6.844 -0.823 151 HD21 LEU 20 HD21 LEU 20 -1.495 7.039 -0.727 152 HD22 LEU 20 HD22 LEU 20 -2.975 7.648 0.017 153 HD23 LEU 20 HD23 LEU 20 -2.564 8.107 -1.636 154 H LYS 21 H LYS 21 -5.781 3.144 0.601 155 HA LYS 21 HA LYS 21 -4.287 1.415 2.441 156 HB2 LYS 21 HB2 LYS 21 -7.285 1.572 2.097 157 HB3 LYS 21 HB3 LYS 21 -6.428 0.490 3.184 158 HG2 LYS 21 HG2 LYS 21 -5.538 2.492 4.376 159 HG3 LYS 21 HG3 LYS 21 -6.572 3.490 3.351 160 HD2 LYS 21 HD2 LYS 21 -7.568 1.282 5.148 161 HD3 LYS 21 HD3 LYS 21 -7.555 2.992 5.575 162 HE2 LYS 21 HE2 LYS 21 -9.046 3.489 3.733 163 HE3 LYS 21 HE3 LYS 21 -9.020 1.804 3.217 164 HZ1 LYS 21 HZ1 LYS 21 -10.024 1.213 5.365 165 HZ2 LYS 21 HZ2 LYS 21 -11.010 2.262 4.479 166 HZ3 LYS 21 HZ3 LYS 21 -10.105 2.845 5.779 167 H VAL 22 H VAL 22 -4.173 -0.730 1.884 168 HA VAL 22 HA VAL 22 -5.141 -1.366 -0.821 169 HB VAL 22 HB VAL 22 -2.523 -2.285 0.356 170 HG11 VAL 22 HG11 VAL 22 -2.048 -3.269 -1.770 171 HG12 VAL 22 HG12 VAL 22 -3.640 -2.794 -2.351 172 HG13 VAL 22 HG13 VAL 22 -3.491 -3.963 -1.039 173 HG21 VAL 22 HG21 VAL 22 -2.706 0.138 -0.427 174 HG22 VAL 22 HG22 VAL 22 -2.703 -0.581 -2.047 175 HG23 VAL 22 HG23 VAL 22 -1.351 -0.852 -0.957 176 H ALA 23 H ALA 23 -6.277 -3.197 -0.996 177 HA ALA 23 HA ALA 23 -6.511 -4.829 1.448 178 HB1 ALA 23 HB1 ALA 23 -8.559 -3.643 0.845 179 HB2 ALA 23 HB2 ALA 23 -8.764 -5.390 0.712 180 HB3 ALA 23 HB3 ALA 23 -8.546 -4.414 -0.741 181 H GLY 24 H GLY 24 -6.146 -6.949 1.348 182 HA2 GLY 24 HA2 GLY 24 -5.234 -8.058 -1.185 183 HA3 GLY 24 HA3 GLY 24 -4.940 -8.733 0.413 184 H GLN 25 H GLN 25 -5.700 -10.453 -1.416 185 HA GLN 25 HA GLN 25 -8.499 -10.698 -1.835 186 HB2 GLN 25 HB2 GLN 25 -6.535 -12.969 -1.963 187 HB3 GLN 25 HB3 GLN 25 -8.015 -12.753 -2.881 188 HG2 GLN 25 HG2 GLN 25 -6.473 -12.255 -4.480 189 HG3 GLN 25 HG3 GLN 25 -6.753 -10.654 -3.794 190 HE21 GLN 25 HE21 GLN 25 -5.106 -9.581 -2.858 191 HE22 GLN 25 HE22 GLN 25 -3.501 -10.212 -2.683 192 H ASP 26 H ASP 26 -6.330 -11.619 0.647 193 HA ASP 26 HA ASP 26 -8.052 -13.640 1.794 194 HB2 ASP 26 HB2 ASP 26 -6.319 -14.025 3.337 195 HB3 ASP 26 HB3 ASP 26 -5.500 -13.641 1.827 196 H GLY 27 H GLY 27 -8.141 -10.337 1.774 197 HA2 GLY 27 HA2 GLY 27 -9.743 -9.101 2.969 198 HA3 GLY 27 HA3 GLY 27 -9.744 -10.340 4.210 199 H SER 28 H SER 28 -6.537 -9.530 3.430 200 HA SER 28 HA SER 28 -6.297 -8.025 5.882 201 HB2 SER 28 HB2 SER 28 -4.647 -9.786 5.312 202 HB3 SER 28 HB3 SER 28 -4.206 -8.891 3.858 203 HG SER 28 HG SER 28 -2.798 -7.982 5.108 204 H VAL 29 H VAL 29 -5.203 -5.901 5.901 205 HA VAL 29 HA VAL 29 -5.085 -4.488 3.400 206 HB VAL 29 HB VAL 29 -7.435 -4.191 3.842 207 HG11 VAL 29 HG11 VAL 29 -8.272 -3.133 5.872 208 HG12 VAL 29 HG12 VAL 29 -6.641 -3.184 6.551 209 HG13 VAL 29 HG13 VAL 29 -7.491 -4.685 6.173 210 HG21 VAL 29 HG21 VAL 29 -5.939 -1.675 4.563 211 HG22 VAL 29 HG22 VAL 29 -7.609 -1.747 4.003 212 HG23 VAL 29 HG23 VAL 29 -6.299 -2.245 2.933 213 H VAL 30 H VAL 30 -3.797 -2.696 3.462 214 HA VAL 30 HA VAL 30 -2.587 -2.051 6.073 215 HB VAL 30 HB VAL 30 -1.101 -1.915 3.456 216 HG11 VAL 30 HG11 VAL 30 0.845 -1.634 4.823 217 HG12 VAL 30 HG12 VAL 30 -0.080 -1.946 6.288 218 HG13 VAL 30 HG13 VAL 30 -0.376 -0.480 5.355 219 HG21 VAL 30 HG21 VAL 30 -1.031 -4.134 5.505 220 HG22 VAL 30 HG22 VAL 30 0.070 -3.965 4.134 221 HG23 VAL 30 HG23 VAL 30 -1.647 -4.243 3.855 222 H GLN 31 H GLN 31 -2.319 0.094 6.517 223 HA GLN 31 HA GLN 31 -3.405 1.922 4.518 224 HB2 GLN 31 HB2 GLN 31 -3.084 2.375 7.495 225 HB3 GLN 31 HB3 GLN 31 -3.886 3.450 6.369 226 HG2 GLN 31 HG2 GLN 31 -5.706 2.426 7.310 227 HG3 GLN 31 HG3 GLN 31 -5.406 1.351 5.948 228 HE21 GLN 31 HE21 GLN 31 -4.791 -0.727 6.305 229 HE22 GLN 31 HE22 GLN 31 -4.730 -1.454 7.871 230 H PHE 32 H PHE 32 -2.283 3.689 3.860 231 HA PHE 32 HA PHE 32 0.468 4.034 4.892 232 HB2 PHE 32 HB2 PHE 32 -0.205 4.194 1.954 233 HB3 PHE 32 HB3 PHE 32 1.386 4.193 2.695 234 HD1 PHE 32 HD1 PHE 32 -1.530 2.129 1.856 235 HD2 PHE 32 HD2 PHE 32 2.490 2.158 3.246 236 HE1 PHE 32 HE1 PHE 32 -1.413 -0.290 1.532 237 HE2 PHE 32 HE2 PHE 32 2.619 -0.277 2.919 238 HZ PHE 32 HZ PHE 32 0.657 -1.502 2.062 239 HH31 ALY 33 HH31 ALY 33 -6.543 12.124 7.476 240 HH32 ALY 33 HH32 ALY 33 -6.467 10.477 6.814 241 HH33 ALY 33 HH33 ALY 33 -6.102 11.883 5.792 242 HZ ALY 33 HZ ALY 33 -4.070 10.513 5.465 243 HE3 ALY 33 HE3 ALY 33 -2.452 10.060 7.858 244 HE2 ALY 33 HE2 ALY 33 -3.323 8.704 7.139 245 HD3 ALY 33 HD3 ALY 33 -2.128 9.030 5.047 246 HD2 ALY 33 HD2 ALY 33 -1.282 10.413 5.740 247 HG3 ALY 33 HG3 ALY 33 -0.411 8.835 7.507 248 HG2 ALY 33 HG2 ALY 33 -1.043 7.519 6.511 249 HB3 ALY 33 HB3 ALY 33 0.862 9.613 5.518 250 HB2 ALY 33 HB2 ALY 33 1.369 8.059 6.160 251 HCA ALY 33 HCA ALY 33 -0.574 8.211 3.879 252 H ALY 33 H ALY 33 1.350 6.115 4.619 253 H ILE 34 H ILE 34 0.094 8.823 1.893 254 HA ILE 34 HA ILE 34 2.916 9.597 1.648 255 HB ILE 34 HB ILE 34 3.151 8.694 -0.553 256 HG12 ILE 34 HG12 ILE 34 0.330 7.625 -0.400 257 HG13 ILE 34 HG13 ILE 34 0.751 9.131 -1.212 258 HG21 ILE 34 HG21 ILE 34 3.587 7.112 1.235 259 HG22 ILE 34 HG22 ILE 34 2.909 6.277 -0.163 260 HG23 ILE 34 HG23 ILE 34 1.892 6.622 1.239 261 HD11 ILE 34 HD11 ILE 34 0.523 7.173 -2.724 262 HD12 ILE 34 HD12 ILE 34 1.926 6.458 -1.923 263 HD13 ILE 34 HD13 ILE 34 2.092 7.972 -2.804 264 H LYS 35 H LYS 35 3.254 10.978 -0.300 265 HA LYS 35 HA LYS 35 1.275 13.053 -0.293 266 HB2 LYS 35 HB2 LYS 35 3.955 12.774 -1.630 267 HB3 LYS 35 HB3 LYS 35 2.941 14.199 -1.776 268 HG2 LYS 35 HG2 LYS 35 3.141 14.684 0.540 269 HG3 LYS 35 HG3 LYS 35 3.894 13.122 0.859 270 HD2 LYS 35 HD2 LYS 35 5.470 15.085 0.788 271 HD3 LYS 35 HD3 LYS 35 5.876 13.749 -0.291 272 HE2 LYS 35 HE2 LYS 35 5.081 14.900 -2.178 273 HE3 LYS 35 HE3 LYS 35 4.291 16.136 -1.194 274 HZ1 LYS 35 HZ1 LYS 35 6.454 16.916 -0.488 275 HZ2 LYS 35 HZ2 LYS 35 6.362 16.926 -2.174 276 HZ3 LYS 35 HZ3 LYS 35 7.224 15.710 -1.388 277 H ARG 36 H ARG 36 0.179 13.817 -2.111 278 HA ARG 36 HA ARG 36 -0.711 11.797 -3.890 279 HB2 ARG 36 HB2 ARG 36 -2.016 13.649 -4.969 280 HB3 ARG 36 HB3 ARG 36 -2.284 13.466 -3.242 281 HG2 ARG 36 HG2 ARG 36 -2.100 15.745 -3.436 282 HG3 ARG 36 HG3 ARG 36 -0.449 15.275 -3.043 283 HD2 ARG 36 HD2 ARG 36 0.083 15.312 -5.471 284 HD3 ARG 36 HD3 ARG 36 -1.527 15.980 -5.764 285 HE ARG 36 HE ARG 36 -0.411 17.561 -3.824 286 HH11 ARG 36 HH11 ARG 36 0.345 16.757 -7.166 287 HH12 ARG 36 HH12 ARG 36 1.181 18.240 -7.462 288 HH21 ARG 36 HH21 ARG 36 0.730 19.475 -4.188 289 HH22 ARG 36 HH22 ARG 36 1.415 19.809 -5.740 290 H HIS 37 H HIS 37 1.979 13.884 -4.009 291 HA HIS 37 HA HIS 37 2.089 13.735 -6.927 292 HB2 HIS 37 HB2 HIS 37 2.410 15.969 -5.782 293 HB3 HIS 37 HB3 HIS 37 3.869 15.305 -5.054 294 HD1 HIS 37 HD1 HIS 37 5.789 16.379 -6.224 295 HD2 HIS 37 HD2 HIS 37 2.779 15.313 -8.882 296 HE1 HIS 37 HE1 HIS 37 6.674 16.925 -8.507 297 HE2 HIS 37 HE2 HIS 37 4.756 16.477 -10.063 298 H THR 38 H THR 38 2.913 12.126 -4.261 299 HA THR 38 HA THR 38 5.578 11.280 -4.977 300 HB THR 38 HB THR 38 3.721 10.976 -2.663 301 HG1 THR 38 HG1 THR 38 6.421 11.498 -2.322 302 HG21 THR 38 HG21 THR 38 5.230 9.417 -1.567 303 HG22 THR 38 HG22 THR 38 6.225 9.330 -3.024 304 HG23 THR 38 HG23 THR 38 4.566 8.712 -3.044 305 HA PRO 39 HA PRO 39 4.109 7.789 -7.315 306 HB2 PRO 39 HB2 PRO 39 6.275 6.128 -6.934 307 HB3 PRO 39 HB3 PRO 39 6.215 7.426 -8.130 308 HG2 PRO 39 HG2 PRO 39 7.457 7.407 -5.412 309 HG3 PRO 39 HG3 PRO 39 8.064 8.122 -6.916 310 HD2 PRO 39 HD2 PRO 39 6.929 9.606 -4.990 311 HD3 PRO 39 HD3 PRO 39 6.727 9.997 -6.711 312 H LEU 40 H LEU 40 2.733 6.255 -6.745 313 HA LEU 40 HA LEU 40 2.446 5.464 -4.043 314 HB2 LEU 40 HB2 LEU 40 0.747 3.796 -5.156 315 HB3 LEU 40 HB3 LEU 40 0.400 5.506 -5.020 316 HG LEU 40 HG LEU 40 1.056 5.823 -7.380 317 HD11 LEU 40 HD11 LEU 40 2.651 4.011 -7.616 318 HD12 LEU 40 HD12 LEU 40 1.378 3.871 -8.827 319 HD13 LEU 40 HD13 LEU 40 1.366 2.825 -7.407 320 HD21 LEU 40 HD21 LEU 40 -1.013 3.681 -6.943 321 HD22 LEU 40 HD22 LEU 40 -0.876 4.712 -8.368 322 HD23 LEU 40 HD23 LEU 40 -1.273 5.419 -6.802 323 H SER 41 H SER 41 4.307 4.192 -6.585 324 HA SER 41 HA SER 41 4.433 1.492 -6.163 325 HB2 SER 41 HB2 SER 41 6.883 1.777 -6.864 326 HB3 SER 41 HB3 SER 41 5.651 2.374 -7.967 327 HG SER 41 HG SER 41 6.905 4.080 -7.843 328 H LYS 42 H LYS 42 5.794 4.043 -4.248 329 HA LYS 42 HA LYS 42 7.622 2.594 -2.698 330 HB2 LYS 42 HB2 LYS 42 5.991 4.981 -1.802 331 HB3 LYS 42 HB3 LYS 42 7.526 4.443 -1.134 332 HG2 LYS 42 HG2 LYS 42 8.644 4.971 -3.238 333 HG3 LYS 42 HG3 LYS 42 7.108 5.479 -3.935 334 HD2 LYS 42 HD2 LYS 42 8.242 7.460 -3.268 335 HD3 LYS 42 HD3 LYS 42 6.967 7.190 -2.078 336 HE2 LYS 42 HE2 LYS 42 8.615 6.165 -0.574 337 HE3 LYS 42 HE3 LYS 42 9.874 6.467 -1.767 338 HZ1 LYS 42 HZ1 LYS 42 9.439 8.844 -1.551 339 HZ2 LYS 42 HZ2 LYS 42 9.895 8.160 -0.076 340 HZ3 LYS 42 HZ3 LYS 42 8.272 8.536 -0.365 341 H LEU 43 H LEU 43 4.203 3.362 -2.082 342 HA LEU 43 HA LEU 43 4.095 1.832 0.326 343 HB2 LEU 43 HB2 LEU 43 1.791 2.315 0.427 344 HB3 LEU 43 HB3 LEU 43 2.530 3.734 -0.278 345 HG LEU 43 HG LEU 43 1.811 2.599 -2.545 346 HD11 LEU 43 HD11 LEU 43 -0.180 1.427 -0.605 347 HD12 LEU 43 HD12 LEU 43 1.010 0.518 -1.532 348 HD13 LEU 43 HD13 LEU 43 -0.290 1.373 -2.365 349 HD21 LEU 43 HD21 LEU 43 -0.116 3.980 -0.686 350 HD22 LEU 43 HD22 LEU 43 -0.309 3.830 -2.433 351 HD23 LEU 43 HD23 LEU 43 1.034 4.760 -1.770 352 H MET 44 H MET 44 3.482 1.172 -3.047 353 HA MET 44 HA MET 44 2.155 -1.282 -2.805 354 HB2 MET 44 HB2 MET 44 3.934 -0.148 -4.952 355 HB3 MET 44 HB3 MET 44 3.127 -1.701 -5.120 356 HG2 MET 44 HG2 MET 44 1.045 -0.764 -5.270 357 HG3 MET 44 HG3 MET 44 1.515 0.687 -4.394 358 HE1 MET 44 HE1 MET 44 2.891 -0.047 -8.731 359 HE2 MET 44 HE2 MET 44 2.085 -1.291 -7.769 360 HE3 MET 44 HE3 MET 44 3.710 -0.744 -7.334 361 H LYS 45 H LYS 45 5.639 -0.618 -3.196 362 HA LYS 45 HA LYS 45 6.417 -3.321 -2.948 363 HB2 LYS 45 HB2 LYS 45 7.895 -0.731 -2.565 364 HB3 LYS 45 HB3 LYS 45 8.674 -2.305 -2.450 365 HG2 LYS 45 HG2 LYS 45 7.094 -1.573 -4.874 366 HG3 LYS 45 HG3 LYS 45 8.751 -1.018 -4.689 367 HD2 LYS 45 HD2 LYS 45 9.507 -3.327 -4.446 368 HD3 LYS 45 HD3 LYS 45 7.840 -3.890 -4.578 369 HE2 LYS 45 HE2 LYS 45 9.028 -4.142 -6.695 370 HE3 LYS 45 HE3 LYS 45 7.705 -2.987 -6.837 371 HZ1 LYS 45 HZ1 LYS 45 10.584 -2.335 -6.539 372 HZ2 LYS 45 HZ2 LYS 45 9.340 -1.199 -6.592 373 HZ3 LYS 45 HZ3 LYS 45 9.653 -2.164 -7.942 374 H ALA 46 H ALA 46 5.895 -0.747 -0.616 375 HA ALA 46 HA ALA 46 7.071 -2.009 1.617 376 HB1 ALA 46 HB1 ALA 46 6.513 0.384 1.567 377 HB2 ALA 46 HB2 ALA 46 5.797 -0.424 2.962 378 HB3 ALA 46 HB3 ALA 46 4.798 -0.022 1.564 379 H TYR 47 H TYR 47 3.819 -2.086 0.239 380 HA TYR 47 HA TYR 47 2.500 -3.554 2.189 381 HB2 TYR 47 HB2 TYR 47 1.289 -2.514 0.373 382 HB3 TYR 47 HB3 TYR 47 2.144 -3.487 -0.812 383 HD1 TYR 47 HD1 TYR 47 1.532 -5.814 -1.183 384 HD2 TYR 47 HD2 TYR 47 -0.534 -3.461 1.683 385 HE1 TYR 47 HE1 TYR 47 -0.269 -7.487 -1.131 386 HE2 TYR 47 HE2 TYR 47 -2.350 -5.128 1.750 387 HH TYR 47 HH TYR 47 -2.052 -8.213 0.496 388 H CYS 48 H CYS 48 4.093 -4.717 -0.763 389 HA CYS 48 HA CYS 48 3.731 -7.451 -0.290 390 HB2 CYS 48 HB2 CYS 48 6.023 -6.201 -1.829 391 HB3 CYS 48 HB3 CYS 48 5.358 -7.816 -2.024 392 HG CYS 48 HG CYS 48 3.733 -4.903 -2.777 393 H GLU 49 H GLU 49 6.391 -5.282 0.625 394 HA GLU 49 HA GLU 49 8.073 -7.308 1.621 395 HB2 GLU 49 HB2 GLU 49 7.966 -4.350 2.179 396 HB3 GLU 49 HB3 GLU 49 9.195 -5.407 2.868 397 HG2 GLU 49 HG2 GLU 49 9.792 -6.056 0.513 398 HG3 GLU 49 HG3 GLU 49 8.721 -4.766 -0.031 399 H ARG 50 H ARG 50 5.573 -5.358 3.215 400 HA ARG 50 HA ARG 50 6.236 -6.488 5.795 401 HB2 ARG 50 HB2 ARG 50 4.376 -5.180 6.677 402 HB3 ARG 50 HB3 ARG 50 5.399 -4.182 5.655 403 HG2 ARG 50 HG2 ARG 50 3.793 -4.402 3.829 404 HG3 ARG 50 HG3 ARG 50 2.774 -5.414 4.851 405 HD2 ARG 50 HD2 ARG 50 3.517 -2.544 5.428 406 HD3 ARG 50 HD3 ARG 50 2.011 -3.093 4.723 407 HE ARG 50 HE ARG 50 1.829 -4.450 6.909 408 HH11 ARG 50 HH11 ARG 50 3.276 -1.241 6.698 409 HH12 ARG 50 HH12 ARG 50 2.755 -0.780 8.273 410 HH21 ARG 50 HH21 ARG 50 1.145 -3.821 8.991 411 HH22 ARG 50 HH22 ARG 50 1.547 -2.251 9.587 412 H GLN 51 H GLN 51 3.764 -7.007 3.328 413 HA GLN 51 HA GLN 51 2.228 -8.805 4.929 414 HB2 GLN 51 HB2 GLN 51 2.218 -8.219 1.985 415 HB3 GLN 51 HB3 GLN 51 1.094 -9.329 2.772 416 HG2 GLN 51 HG2 GLN 51 1.431 -6.437 3.433 417 HG3 GLN 51 HG3 GLN 51 0.172 -7.107 2.394 418 HE21 GLN 51 HE21 GLN 51 1.396 -6.964 5.659 419 HE22 GLN 51 HE22 GLN 51 -0.050 -7.490 6.442 420 H GLY 52 H GLY 52 4.991 -9.140 2.960 421 HA2 GLY 52 HA2 GLY 52 6.306 -11.041 2.764 422 HA3 GLY 52 HA3 GLY 52 5.022 -11.971 3.530 423 H LEU 53 H LEU 53 4.929 -9.878 0.688 424 HA LEU 53 HA LEU 53 4.177 -12.213 -0.937 425 HB2 LEU 53 HB2 LEU 53 2.897 -9.507 -0.820 426 HB3 LEU 53 HB3 LEU 53 2.870 -10.422 -2.308 427 HG LEU 53 HG LEU 53 0.818 -10.733 -1.214 428 HD11 LEU 53 HD11 LEU 53 2.477 -13.208 -0.782 429 HD12 LEU 53 HD12 LEU 53 1.742 -12.711 -2.304 430 HD13 LEU 53 HD13 LEU 53 0.723 -13.147 -0.933 431 HD21 LEU 53 HD21 LEU 53 1.487 -10.102 1.026 432 HD22 LEU 53 HD22 LEU 53 2.318 -11.649 1.217 433 HD23 LEU 53 HD23 LEU 53 0.561 -11.605 1.020 434 H SER 54 H SER 54 4.597 -11.836 -3.291 435 HA SER 54 HA SER 54 6.934 -10.091 -3.617 436 HB2 SER 54 HB2 SER 54 6.188 -12.611 -5.113 437 HB3 SER 54 HB3 SER 54 7.627 -11.644 -5.394 438 HG SER 54 HG SER 54 7.336 -13.619 -3.700 439 H MET 55 H MET 55 7.075 -8.859 -5.551 440 HA MET 55 HA MET 55 4.703 -7.767 -6.499 441 HB2 MET 55 HB2 MET 55 7.540 -7.637 -7.392 442 HB3 MET 55 HB3 MET 55 6.295 -7.011 -8.467 443 HG2 MET 55 HG2 MET 55 6.698 -6.167 -5.611 444 HG3 MET 55 HG3 MET 55 7.258 -5.274 -7.023 445 HE1 MET 55 HE1 MET 55 5.853 -3.271 -5.680 446 HE2 MET 55 HE2 MET 55 5.250 -4.478 -4.546 447 HE3 MET 55 HE3 MET 55 4.120 -3.405 -5.370 448 H ARG 56 H ARG 56 6.512 -10.510 -7.627 449 HA ARG 56 HA ARG 56 5.012 -10.729 -10.094 450 HB2 ARG 56 HB2 ARG 56 6.272 -12.851 -10.416 451 HB3 ARG 56 HB3 ARG 56 7.305 -11.454 -10.189 452 HG2 ARG 56 HG2 ARG 56 6.650 -12.965 -7.750 453 HG3 ARG 56 HG3 ARG 56 7.661 -13.800 -8.932 454 HD2 ARG 56 HD2 ARG 56 8.217 -11.053 -7.824 455 HD3 ARG 56 HD3 ARG 56 8.945 -12.541 -7.219 456 HE ARG 56 HE ARG 56 9.303 -11.594 -9.991 457 HH11 ARG 56 HH11 ARG 56 10.606 -12.963 -7.023 458 HH12 ARG 56 HH12 ARG 56 12.201 -13.135 -7.666 459 HH21 ARG 56 HH21 ARG 56 11.421 -11.810 -10.826 460 HH22 ARG 56 HH22 ARG 56 12.672 -12.464 -9.826 461 H GLN 57 H GLN 57 4.585 -11.575 -6.888 462 HA GLN 57 HA GLN 57 2.972 -13.926 -7.438 463 HB2 GLN 57 HB2 GLN 57 4.247 -12.760 -5.061 464 HB3 GLN 57 HB3 GLN 57 2.677 -13.499 -4.765 465 HG2 GLN 57 HG2 GLN 57 4.469 -15.078 -4.377 466 HG3 GLN 57 HG3 GLN 57 3.479 -15.592 -5.742 467 HE21 GLN 57 HE21 GLN 57 4.334 -15.360 -7.834 468 HE22 GLN 57 HE22 GLN 57 6.035 -15.296 -8.104 469 H ILE 58 H ILE 58 2.536 -10.561 -7.001 470 HA ILE 58 HA ILE 58 -0.365 -10.978 -6.944 471 HB ILE 58 HB ILE 58 -0.753 -9.272 -5.289 472 HG12 ILE 58 HG12 ILE 58 2.254 -8.930 -5.218 473 HG13 ILE 58 HG13 ILE 58 1.064 -7.765 -5.797 474 HG21 ILE 58 HG21 ILE 58 0.177 -10.308 -3.288 475 HG22 ILE 58 HG22 ILE 58 1.350 -11.175 -4.280 476 HG23 ILE 58 HG23 ILE 58 -0.371 -11.527 -4.440 477 HD11 ILE 58 HD11 ILE 58 0.185 -7.510 -3.563 478 HD12 ILE 58 HD12 ILE 58 1.921 -7.195 -3.582 479 HD13 ILE 58 HD13 ILE 58 1.308 -8.726 -2.958 480 H ARG 59 H ARG 59 -1.342 -8.585 -7.055 481 HA ARG 59 HA ARG 59 0.155 -6.768 -8.679 482 HB2 ARG 59 HB2 ARG 59 -1.703 -8.641 -9.939 483 HB3 ARG 59 HB3 ARG 59 -2.056 -6.962 -10.315 484 HG2 ARG 59 HG2 ARG 59 0.607 -8.314 -10.712 485 HG3 ARG 59 HG3 ARG 59 -0.584 -7.998 -11.977 486 HD2 ARG 59 HD2 ARG 59 -0.400 -5.595 -11.518 487 HD3 ARG 59 HD3 ARG 59 0.811 -5.923 -10.288 488 HE ARG 59 HE ARG 59 1.777 -7.107 -12.561 489 HH11 ARG 59 HH11 ARG 59 0.815 -3.829 -11.704 490 HH12 ARG 59 HH12 ARG 59 1.983 -3.088 -12.736 491 HH21 ARG 59 HH21 ARG 59 3.332 -6.103 -13.915 492 HH22 ARG 59 HH22 ARG 59 3.409 -4.376 -13.995 493 H PHE 60 H PHE 60 -0.474 -4.761 -8.333 494 HA PHE 60 HA PHE 60 -2.814 -4.308 -6.679 495 HB2 PHE 60 HB2 PHE 60 -0.664 -2.378 -7.613 496 HB3 PHE 60 HB3 PHE 60 -1.947 -1.998 -6.473 497 HD1 PHE 60 HD1 PHE 60 0.937 -4.274 -6.975 498 HD2 PHE 60 HD2 PHE 60 -1.594 -2.298 -4.158 499 HE1 PHE 60 HE1 PHE 60 2.382 -5.022 -5.141 500 HE2 PHE 60 HE2 PHE 60 -0.142 -3.047 -2.341 501 HZ PHE 60 HZ PHE 60 1.841 -4.409 -2.825 502 H ARG 61 H ARG 61 -4.494 -2.949 -7.269 503 HA ARG 61 HA ARG 61 -4.624 -1.949 -9.987 504 HB2 ARG 61 HB2 ARG 61 -5.237 -4.289 -10.222 505 HB3 ARG 61 HB3 ARG 61 -6.453 -4.126 -8.966 506 HG2 ARG 61 HG2 ARG 61 -6.630 -2.410 -11.386 507 HG3 ARG 61 HG3 ARG 61 -7.091 -4.108 -11.500 508 HD2 ARG 61 HD2 ARG 61 -8.162 -2.222 -9.427 509 HD3 ARG 61 HD3 ARG 61 -8.953 -2.507 -10.970 510 HE ARG 61 HE ARG 61 -8.825 -4.276 -8.694 511 HH11 ARG 61 HH11 ARG 61 -9.559 -4.029 -12.119 512 HH12 ARG 61 HH12 ARG 61 -10.494 -5.477 -12.144 513 HH21 ARG 61 HH21 ARG 61 -10.022 -6.184 -8.725 514 HH22 ARG 61 HH22 ARG 61 -10.788 -6.707 -10.195 515 H PHE 62 H PHE 62 -6.172 -0.363 -10.276 516 HA PHE 62 HA PHE 62 -8.008 0.221 -8.108 517 HB2 PHE 62 HB2 PHE 62 -5.936 1.430 -7.542 518 HB3 PHE 62 HB3 PHE 62 -6.009 2.265 -9.089 519 HD1 PHE 62 HD1 PHE 62 -7.627 1.853 -5.818 520 HD2 PHE 62 HD2 PHE 62 -7.477 4.111 -9.415 521 HE1 PHE 62 HE1 PHE 62 -9.041 3.576 -4.792 522 HE2 PHE 62 HE2 PHE 62 -8.893 5.844 -8.393 523 HZ PHE 62 HZ PHE 62 -9.673 5.578 -6.076 524 H ASP 63 H ASP 63 -9.699 1.546 -8.756 525 HA ASP 63 HA ASP 63 -11.414 2.111 -10.209 526 HB2 ASP 63 HB2 ASP 63 -9.563 3.842 -10.678 527 HB3 ASP 63 HB3 ASP 63 -9.275 2.945 -12.145 528 H GLY 64 H GLY 64 -10.054 -0.520 -10.468 529 HA2 GLY 64 HA2 GLY 64 -10.643 -2.355 -11.671 530 HA3 GLY 64 HA3 GLY 64 -11.403 -1.356 -12.873 531 H GLN 65 H GLN 65 -8.676 0.198 -12.758 532 HA GLN 65 HA GLN 65 -7.401 -1.417 -14.853 533 HB2 GLN 65 HB2 GLN 65 -6.135 0.678 -15.369 534 HB3 GLN 65 HB3 GLN 65 -7.878 0.861 -15.514 535 HG2 GLN 65 HG2 GLN 65 -7.949 1.950 -13.342 536 HG3 GLN 65 HG3 GLN 65 -6.212 1.743 -13.166 537 HE21 GLN 65 HE21 GLN 65 -5.877 3.925 -12.974 538 HE22 GLN 65 HE22 GLN 65 -6.024 5.031 -14.287 539 HA PRO 66 HA PRO 66 -4.062 -2.648 -12.241 540 HB2 PRO 66 HB2 PRO 66 -2.043 -2.870 -14.054 541 HB3 PRO 66 HB3 PRO 66 -3.368 -4.034 -13.942 542 HG2 PRO 66 HG2 PRO 66 -3.017 -1.747 -15.843 543 HG3 PRO 66 HG3 PRO 66 -3.582 -3.397 -16.167 544 HD2 PRO 66 HD2 PRO 66 -5.279 -1.305 -15.919 545 HD3 PRO 66 HD3 PRO 66 -5.713 -2.951 -15.410 546 H ILE 67 H ILE 67 -2.489 -1.717 -11.003 547 HA ILE 67 HA ILE 67 -1.793 1.055 -11.601 548 HB ILE 67 HB ILE 67 -1.124 -0.600 -9.147 549 HG12 ILE 67 HG12 ILE 67 -3.380 1.375 -9.577 550 HG13 ILE 67 HG13 ILE 67 -3.549 -0.368 -9.416 551 HG21 ILE 67 HG21 ILE 67 -0.719 1.569 -8.076 552 HG22 ILE 67 HG22 ILE 67 -1.027 2.380 -9.612 553 HG23 ILE 67 HG23 ILE 67 0.358 1.300 -9.447 554 HD11 ILE 67 HD11 ILE 67 -2.662 -0.223 -7.129 555 HD12 ILE 67 HD12 ILE 67 -4.129 0.726 -7.346 556 HD13 ILE 67 HD13 ILE 67 -2.560 1.529 -7.299 557 H ASN 68 H ASN 68 0.352 1.788 -11.776 558 HA ASN 68 HA ASN 68 2.342 -0.316 -12.309 559 HB2 ASN 68 HB2 ASN 68 2.747 2.392 -13.448 560 HB3 ASN 68 HB3 ASN 68 3.141 0.821 -14.118 561 HD21 ASN 68 HD21 ASN 68 0.824 3.303 -13.856 562 HD22 ASN 68 HD22 ASN 68 -0.280 2.707 -15.023 563 H GLU 69 H GLU 69 4.584 0.430 -11.919 564 HA GLU 69 HA GLU 69 4.723 1.728 -9.383 565 HB2 GLU 69 HB2 GLU 69 7.177 1.418 -9.620 566 HB3 GLU 69 HB3 GLU 69 6.282 -0.070 -9.893 567 HG2 GLU 69 HG2 GLU 69 6.573 0.108 -12.259 568 HG3 GLU 69 HG3 GLU 69 7.266 1.720 -12.100 569 H THR 70 H THR 70 4.781 2.714 -12.627 570 HA THR 70 HA THR 70 6.284 5.133 -12.166 571 HB THR 70 HB THR 70 5.813 5.468 -14.629 572 HG1 THR 70 HG1 THR 70 5.007 3.584 -15.699 573 HG21 THR 70 HG21 THR 70 7.421 3.766 -15.313 574 HG22 THR 70 HG22 THR 70 7.123 2.865 -13.827 575 HG23 THR 70 HG23 THR 70 7.897 4.447 -13.758 576 H ASP 71 H ASP 71 3.142 4.357 -11.478 577 HA ASP 71 HA ASP 71 2.076 6.838 -12.594 578 HB2 ASP 71 HB2 ASP 71 0.948 4.583 -12.948 579 HB3 ASP 71 HB3 ASP 71 0.493 4.657 -11.251 580 H THR 72 H THR 72 0.680 8.157 -11.187 581 HA THR 72 HA THR 72 1.550 8.041 -8.385 582 HB THR 72 HB THR 72 0.762 10.582 -8.525 583 HG1 THR 72 HG1 THR 72 1.387 9.842 -11.184 584 HG21 THR 72 HG21 THR 72 3.123 11.196 -8.916 585 HG22 THR 72 HG22 THR 72 3.447 9.531 -9.413 586 HG23 THR 72 HG23 THR 72 2.925 9.881 -7.761 587 HA PRO 73 HA PRO 73 -2.541 7.492 -6.900 588 HB2 PRO 73 HB2 PRO 73 -2.556 9.275 -4.784 589 HB3 PRO 73 HB3 PRO 73 -1.860 7.654 -4.722 590 HG2 PRO 73 HG2 PRO 73 -0.496 10.283 -5.184 591 HG3 PRO 73 HG3 PRO 73 0.030 8.905 -4.197 592 HD2 PRO 73 HD2 PRO 73 1.058 9.387 -6.600 593 HD3 PRO 73 HD3 PRO 73 0.765 7.722 -6.049 594 H ALA 74 H ALA 74 -1.422 10.756 -7.471 595 HA ALA 74 HA ALA 74 -3.991 11.981 -7.379 596 HB1 ALA 74 HB1 ALA 74 -2.864 13.941 -8.291 597 HB2 ALA 74 HB2 ALA 74 -1.441 12.958 -8.650 598 HB3 ALA 74 HB3 ALA 74 -1.923 13.228 -6.978 599 H GLN 75 H GLN 75 -2.367 10.096 -9.718 600 HA GLN 75 HA GLN 75 -3.414 11.222 -12.104 601 HB2 GLN 75 HB2 GLN 75 -1.487 9.523 -11.788 602 HB3 GLN 75 HB3 GLN 75 -2.750 8.331 -11.678 603 HG2 GLN 75 HG2 GLN 75 -1.843 8.406 -13.899 604 HG3 GLN 75 HG3 GLN 75 -3.544 8.876 -13.887 605 HE21 GLN 75 HE21 GLN 75 -0.881 10.931 -12.902 606 HE22 GLN 75 HE22 GLN 75 -1.031 12.072 -14.193 607 H LEU 76 H LEU 76 -4.434 8.714 -9.922 608 HA LEU 76 HA LEU 76 -6.669 7.976 -11.590 609 HB2 LEU 76 HB2 LEU 76 -6.173 6.929 -8.834 610 HB3 LEU 76 HB3 LEU 76 -6.935 6.129 -10.198 611 HG LEU 76 HG LEU 76 -4.391 6.574 -11.153 612 HD11 LEU 76 HD11 LEU 76 -2.860 5.833 -9.425 613 HD12 LEU 76 HD12 LEU 76 -4.163 5.904 -8.236 614 HD13 LEU 76 HD13 LEU 76 -3.608 7.381 -9.028 615 HD21 LEU 76 HD21 LEU 76 -4.065 4.209 -10.875 616 HD22 LEU 76 HD22 LEU 76 -5.759 4.502 -11.279 617 HD23 LEU 76 HD23 LEU 76 -5.296 4.143 -9.616 618 H GLU 77 H GLU 77 -6.231 10.494 -9.593 619 HA GLU 77 HA GLU 77 -7.582 11.927 -8.444 620 HB2 GLU 77 HB2 GLU 77 -9.646 10.519 -10.138 621 HB3 GLU 77 HB3 GLU 77 -10.013 11.918 -9.140 622 HG2 GLU 77 HG2 GLU 77 -7.878 11.946 -11.231 623 HG3 GLU 77 HG3 GLU 77 -9.564 12.330 -11.594 624 H MET 78 H MET 78 -6.937 9.461 -7.185 625 HA MET 78 HA MET 78 -9.282 8.437 -5.881 626 HB2 MET 78 HB2 MET 78 -7.788 6.953 -4.729 627 HB3 MET 78 HB3 MET 78 -7.296 7.044 -6.414 628 HG2 MET 78 HG2 MET 78 -5.693 8.900 -5.498 629 HG3 MET 78 HG3 MET 78 -5.933 8.041 -3.979 630 HE1 MET 78 HE1 MET 78 -6.459 5.100 -5.580 631 HE2 MET 78 HE2 MET 78 -5.706 5.232 -3.989 632 HE3 MET 78 HE3 MET 78 -4.882 4.370 -5.291 633 H GLU 79 H GLU 79 -9.590 8.435 -3.558 634 HA GLU 79 HA GLU 79 -8.875 11.049 -2.397 635 HB2 GLU 79 HB2 GLU 79 -10.892 10.814 -1.067 636 HB3 GLU 79 HB3 GLU 79 -11.283 10.585 -2.765 637 HG2 GLU 79 HG2 GLU 79 -11.133 8.108 -2.351 638 HG3 GLU 79 HG3 GLU 79 -11.015 8.480 -0.640 639 H ASP 80 H ASP 80 -8.431 11.084 0.019 640 HA ASP 80 HA ASP 80 -6.788 9.092 0.913 641 HB2 ASP 80 HB2 ASP 80 -7.253 10.077 3.195 642 HB3 ASP 80 HB3 ASP 80 -6.701 11.221 1.974 643 H GLU 81 H GLU 81 -7.005 7.317 2.062 644 HA GLU 81 HA GLU 81 -7.837 5.535 3.131 645 HB2 GLU 81 HB2 GLU 81 -10.438 7.073 3.268 646 HB3 GLU 81 HB3 GLU 81 -10.165 5.508 4.019 647 HG2 GLU 81 HG2 GLU 81 -8.296 6.574 5.318 648 HG3 GLU 81 HG3 GLU 81 -8.847 8.123 4.687 649 H ASP 82 H ASP 82 -8.052 6.247 0.206 650 HA ASP 82 HA ASP 82 -10.210 4.700 -0.824 651 HB2 ASP 82 HB2 ASP 82 -8.322 6.389 -1.935 652 HB3 ASP 82 HB3 ASP 82 -7.873 4.807 -2.572 653 H THR 83 H THR 83 -10.104 2.623 -1.861 654 HA THR 83 HA THR 83 -8.171 0.899 -0.481 655 HB THR 83 HB THR 83 -10.859 0.125 -1.619 656 HG1 THR 83 HG1 THR 83 -11.085 1.507 0.168 657 HG21 THR 83 HG21 THR 83 -9.247 -1.734 -1.481 658 HG22 THR 83 HG22 THR 83 -10.550 -1.924 -0.308 659 HG23 THR 83 HG23 THR 83 -8.965 -1.357 0.218 660 H ILE 84 H ILE 84 -6.638 0.016 -1.611 661 HA ILE 84 HA ILE 84 -6.680 -0.155 -4.503 662 HB ILE 84 HB ILE 84 -4.588 -1.159 -2.536 663 HG12 ILE 84 HG12 ILE 84 -5.076 1.310 -2.389 664 HG13 ILE 84 HG13 ILE 84 -3.417 0.902 -2.798 665 HG21 ILE 84 HG21 ILE 84 -3.068 -1.021 -4.480 666 HG22 ILE 84 HG22 ILE 84 -4.447 -0.632 -5.507 667 HG23 ILE 84 HG23 ILE 84 -4.361 -2.199 -4.700 668 HD11 ILE 84 HD11 ILE 84 -4.210 2.766 -4.091 669 HD12 ILE 84 HD12 ILE 84 -5.552 1.797 -4.705 670 HD13 ILE 84 HD13 ILE 84 -3.890 1.380 -5.130 671 H ASP 85 H ASP 85 -6.836 -2.070 -5.669 672 HA ASP 85 HA ASP 85 -7.724 -4.400 -4.120 673 HB2 ASP 85 HB2 ASP 85 -9.237 -3.458 -5.888 674 HB3 ASP 85 HB3 ASP 85 -8.017 -3.906 -7.078 675 H VAL 86 H VAL 86 -6.234 -5.906 -3.782 676 HA VAL 86 HA VAL 86 -4.196 -6.337 -5.866 677 HB VAL 86 HB VAL 86 -4.110 -6.982 -2.907 678 HG11 VAL 86 HG11 VAL 86 -3.036 -8.768 -4.215 679 HG12 VAL 86 HG12 VAL 86 -1.863 -7.838 -3.285 680 HG13 VAL 86 HG13 VAL 86 -2.030 -7.562 -5.019 681 HG21 VAL 86 HG21 VAL 86 -2.237 -5.433 -2.896 682 HG22 VAL 86 HG22 VAL 86 -3.711 -4.657 -3.475 683 HG23 VAL 86 HG23 VAL 86 -2.461 -5.145 -4.620 684 H PHE 87 H PHE 87 -3.955 -8.278 -6.767 685 HA PHE 87 HA PHE 87 -5.529 -10.509 -5.738 686 HB2 PHE 87 HB2 PHE 87 -5.965 -11.092 -8.222 687 HB3 PHE 87 HB3 PHE 87 -6.956 -9.854 -7.463 688 HD1 PHE 87 HD1 PHE 87 -6.671 -7.491 -8.045 689 HD2 PHE 87 HD2 PHE 87 -4.412 -10.551 -9.969 690 HE1 PHE 87 HE1 PHE 87 -6.092 -5.935 -9.831 691 HE2 PHE 87 HE2 PHE 87 -3.826 -8.982 -11.771 692 HZ PHE 87 HZ PHE 87 -4.664 -6.669 -11.705 693 H GLN 88 H GLN 88 -4.658 -12.614 -6.218 694 HA GLN 88 HA GLN 88 -1.825 -12.565 -6.281 695 HB2 GLN 88 HB2 GLN 88 -3.419 -14.122 -4.970 696 HB3 GLN 88 HB3 GLN 88 -3.498 -15.048 -6.462 697 HG2 GLN 88 HG2 GLN 88 -1.783 -16.144 -5.472 698 HG3 GLN 88 HG3 GLN 88 -0.857 -14.870 -6.261 699 HE21 GLN 88 HE21 GLN 88 -2.000 -12.906 -4.260 700 HE22 GLN 88 HE22 GLN 88 -1.063 -13.161 -2.829 701 H GLN 89 H GLN 89 -0.534 -12.908 -7.820 702 HA GLN 89 HA GLN 89 -1.509 -13.722 -10.491 703 HB2 GLN 89 HB2 GLN 89 0.977 -12.226 -9.681 704 HB3 GLN 89 HB3 GLN 89 0.653 -12.759 -11.327 705 HG2 GLN 89 HG2 GLN 89 -1.112 -10.916 -9.737 706 HG3 GLN 89 HG3 GLN 89 0.082 -10.400 -10.927 707 HE21 GLN 89 HE21 GLN 89 -2.986 -11.995 -10.446 708 HE22 GLN 89 HE22 GLN 89 -3.498 -11.902 -12.098 709 H GLN 90 H GLN 90 -0.617 -15.474 -8.132 710 HA GLN 90 HA GLN 90 1.171 -17.173 -9.714 711 HB2 GLN 90 HB2 GLN 90 2.339 -15.912 -7.832 712 HB3 GLN 90 HB3 GLN 90 1.380 -16.878 -6.722 713 HG2 GLN 90 HG2 GLN 90 3.528 -17.874 -6.926 714 HG3 GLN 90 HG3 GLN 90 2.351 -18.909 -7.736 715 HE21 GLN 90 HE21 GLN 90 5.275 -18.629 -8.089 716 HE22 GLN 90 HE22 GLN 90 5.503 -18.283 -9.767 717 H THR 91 H THR 91 0.339 -19.175 -9.967 718 HA THR 91 HA THR 91 -2.087 -19.847 -8.575 719 HB THR 91 HB THR 91 -1.870 -21.972 -10.014 720 HG1 THR 91 HG1 THR 91 -0.250 -22.050 -11.401 721 HG21 THR 91 HG21 THR 91 -2.672 -20.775 -12.012 722 HG22 THR 91 HG22 THR 91 -2.101 -19.256 -11.323 723 HG23 THR 91 HG23 THR 91 -3.406 -20.141 -10.540 724 H GLY 92 H GLY 92 1.167 -21.245 -8.836 725 HA2 GLY 92 HA2 GLY 92 0.663 -23.445 -7.120 726 HA3 GLY 92 HA3 GLY 92 2.246 -22.821 -7.556 727 H GLY 93 H GLY 93 2.599 -20.531 -6.472 728 HA2 GLY 93 HA2 GLY 93 2.569 -21.018 -3.652 729 HA3 GLY 93 HA3 GLY 93 3.252 -19.619 -4.470 Start of MODEL 14 1 H MET 1 H MET 1 6.761 32.431 5.783 2 HA MET 1 HA MET 1 8.179 32.568 8.381 3 HB2 MET 1 HB2 MET 1 7.702 30.203 8.619 4 HB3 MET 1 HB3 MET 1 6.197 31.086 8.433 5 HG2 MET 1 HG2 MET 1 6.074 30.401 6.100 6 HG3 MET 1 HG3 MET 1 7.600 29.536 6.267 7 HE1 MET 1 HE1 MET 1 6.500 27.358 5.304 8 HE2 MET 1 HE2 MET 1 4.935 28.151 5.137 9 HE3 MET 1 HE3 MET 1 5.052 26.597 5.962 10 H ALA 2 H ALA 2 8.791 32.922 5.297 11 HA ALA 2 HA ALA 2 11.422 31.907 5.383 12 HB1 ALA 2 HB1 ALA 2 9.505 30.500 3.518 13 HB2 ALA 2 HB2 ALA 2 10.300 29.774 4.917 14 HB3 ALA 2 HB3 ALA 2 11.258 30.304 3.533 15 H ASP 3 H ASP 3 9.669 34.232 4.828 16 HA ASP 3 HA ASP 3 10.318 34.828 2.035 17 HB2 ASP 3 HB2 ASP 3 8.536 36.594 2.319 18 HB3 ASP 3 HB3 ASP 3 7.954 34.937 2.423 19 H GLU 4 H GLU 4 10.602 35.827 5.343 20 HA GLU 4 HA GLU 4 11.991 38.284 4.617 21 HB2 GLU 4 HB2 GLU 4 11.152 37.157 7.293 22 HB3 GLU 4 HB3 GLU 4 12.031 38.668 7.096 23 HG2 GLU 4 HG2 GLU 4 10.187 39.576 5.785 24 HG3 GLU 4 HG3 GLU 4 9.305 38.063 5.974 25 H LYS 5 H LYS 5 13.182 35.660 4.006 26 HA LYS 5 HA LYS 5 15.726 36.114 5.219 27 HB2 LYS 5 HB2 LYS 5 16.018 33.706 5.761 28 HB3 LYS 5 HB3 LYS 5 14.786 34.467 6.754 29 HG2 LYS 5 HG2 LYS 5 13.054 33.336 5.704 30 HG3 LYS 5 HG3 LYS 5 14.014 32.993 4.265 31 HD2 LYS 5 HD2 LYS 5 13.693 30.963 5.582 32 HD3 LYS 5 HD3 LYS 5 15.393 31.428 5.565 33 HE2 LYS 5 HE2 LYS 5 14.878 30.782 7.791 34 HE3 LYS 5 HE3 LYS 5 15.003 32.539 7.788 35 HZ1 LYS 5 HZ1 LYS 5 13.106 31.808 9.062 36 HZ2 LYS 5 HZ2 LYS 5 12.484 30.968 7.739 37 HZ3 LYS 5 HZ3 LYS 5 12.579 32.659 7.699 38 HA PRO 6 HA PRO 6 16.896 35.079 1.055 39 HB2 PRO 6 HB2 PRO 6 19.384 33.879 2.010 40 HB3 PRO 6 HB3 PRO 6 19.152 35.373 1.104 41 HG2 PRO 6 HG2 PRO 6 19.935 35.305 3.710 42 HG3 PRO 6 HG3 PRO 6 19.027 36.652 3.001 43 HD2 PRO 6 HD2 PRO 6 18.070 34.430 4.757 44 HD3 PRO 6 HD3 PRO 6 17.573 36.131 4.694 45 H LYS 7 H LYS 7 18.274 33.110 -0.017 46 HA LYS 7 HA LYS 7 16.679 30.805 0.105 47 HB2 LYS 7 HB2 LYS 7 18.171 29.784 -1.428 48 HB3 LYS 7 HB3 LYS 7 18.162 31.495 -1.820 49 HG2 LYS 7 HG2 LYS 7 20.275 30.372 -0.024 50 HG3 LYS 7 HG3 LYS 7 20.403 30.186 -1.771 51 HD2 LYS 7 HD2 LYS 7 20.029 32.840 -0.394 52 HD3 LYS 7 HD3 LYS 7 21.609 32.168 -0.795 53 HE2 LYS 7 HE2 LYS 7 20.887 32.052 -3.171 54 HE3 LYS 7 HE3 LYS 7 19.397 32.875 -2.717 55 HZ1 LYS 7 HZ1 LYS 7 22.146 33.959 -2.443 56 HZ2 LYS 7 HZ2 LYS 7 20.745 34.748 -1.937 57 HZ3 LYS 7 HZ3 LYS 7 20.997 34.440 -3.579 58 H GLU 8 H GLU 8 18.826 31.788 2.400 59 HA GLU 8 HA GLU 8 20.213 29.464 3.102 60 HB2 GLU 8 HB2 GLU 8 19.351 31.824 4.767 61 HB3 GLU 8 HB3 GLU 8 20.426 30.559 5.343 62 HG2 GLU 8 HG2 GLU 8 20.971 32.281 2.948 63 HG3 GLU 8 HG3 GLU 8 21.580 32.608 4.572 64 H GLY 9 H GLY 9 18.968 27.648 3.195 65 HA2 GLY 9 HA2 GLY 9 17.933 26.091 4.617 66 HA3 GLY 9 HA3 GLY 9 17.299 27.419 5.577 67 H VAL 10 H VAL 10 16.924 27.612 2.159 68 HA VAL 10 HA VAL 10 14.080 27.582 2.400 69 HB VAL 10 HB VAL 10 15.218 28.997 0.721 70 HG11 VAL 10 HG11 VAL 10 17.020 27.511 0.075 71 HG12 VAL 10 HG12 VAL 10 16.101 28.020 -1.344 72 HG13 VAL 10 HG13 VAL 10 15.865 26.406 -0.674 73 HG21 VAL 10 HG21 VAL 10 12.881 28.444 0.378 74 HG22 VAL 10 HG22 VAL 10 13.333 26.967 -0.472 75 HG23 VAL 10 HG23 VAL 10 13.716 28.539 -1.172 76 H LYS 11 H LYS 11 12.670 25.952 2.121 77 HA LYS 11 HA LYS 11 13.328 23.590 0.617 78 HB2 LYS 11 HB2 LYS 11 14.398 23.138 2.779 79 HB3 LYS 11 HB3 LYS 11 12.855 23.386 3.584 80 HG2 LYS 11 HG2 LYS 11 11.914 21.501 2.395 81 HG3 LYS 11 HG3 LYS 11 13.445 21.254 1.553 82 HD2 LYS 11 HD2 LYS 11 14.549 20.878 3.686 83 HD3 LYS 11 HD3 LYS 11 13.013 21.103 4.526 84 HE2 LYS 11 HE2 LYS 11 12.095 19.182 3.234 85 HE3 LYS 11 HE3 LYS 11 13.697 18.930 2.548 86 HZ1 LYS 11 HZ1 LYS 11 14.539 18.572 4.805 87 HZ2 LYS 11 HZ2 LYS 11 13.343 17.456 4.400 88 HZ3 LYS 11 HZ3 LYS 11 12.975 18.751 5.417 89 H THR 12 H THR 12 11.510 22.433 0.044 90 HA THR 12 HA THR 12 8.973 23.709 0.327 91 HB THR 12 HB THR 12 9.549 22.403 -1.711 92 HG1 THR 12 HG1 THR 12 7.289 22.613 -0.816 93 HG21 THR 12 HG21 THR 12 10.819 20.600 -0.652 94 HG22 THR 12 HG22 THR 12 9.522 19.949 -1.653 95 HG23 THR 12 HG23 THR 12 9.346 19.992 0.102 96 H GLU 13 H GLU 13 7.097 22.836 1.431 97 HA GLU 13 HA GLU 13 7.860 21.226 3.776 98 HB2 GLU 13 HB2 GLU 13 5.845 23.426 3.452 99 HB3 GLU 13 HB3 GLU 13 5.853 22.337 4.832 100 HG2 GLU 13 HG2 GLU 13 8.131 24.117 4.005 101 HG3 GLU 13 HG3 GLU 13 6.991 24.444 5.312 102 H ASN 14 H ASN 14 6.563 19.717 4.559 103 HA ASN 14 HA ASN 14 5.151 18.144 2.704 104 HB2 ASN 14 HB2 ASN 14 4.418 17.009 4.980 105 HB3 ASN 14 HB3 ASN 14 6.064 16.851 4.377 106 HD21 ASN 14 HD21 ASN 14 4.058 18.795 6.516 107 HD22 ASN 14 HD22 ASN 14 5.290 19.135 7.679 108 H ASN 15 H ASN 15 3.319 18.942 1.854 109 HA ASN 15 HA ASN 15 1.266 19.861 3.753 110 HB2 ASN 15 HB2 ASN 15 1.921 20.929 1.010 111 HB3 ASN 15 HB3 ASN 15 0.357 21.207 1.762 112 HD21 ASN 15 HD21 ASN 15 3.771 21.897 1.896 113 HD22 ASN 15 HD22 ASN 15 3.649 23.242 2.975 114 H ASP 16 H ASP 16 1.044 19.206 0.283 115 HA ASP 16 HA ASP 16 -1.416 17.901 0.486 116 HB2 ASP 16 HB2 ASP 16 -1.029 17.341 -1.921 117 HB3 ASP 16 HB3 ASP 16 -0.839 19.042 -1.519 118 H HIS 17 H HIS 17 -0.975 16.252 2.103 119 HA HIS 17 HA HIS 17 0.025 13.805 0.809 120 HB2 HIS 17 HB2 HIS 17 0.794 12.952 2.876 121 HB3 HIS 17 HB3 HIS 17 1.320 14.627 2.848 122 HD1 HIS 17 HD1 HIS 17 0.303 16.215 4.644 123 HD2 HIS 17 HD2 HIS 17 -1.166 12.323 4.796 124 HE1 HIS 17 HE1 HIS 17 -0.932 16.040 6.818 125 HE2 HIS 17 HE2 HIS 17 -1.631 13.623 6.976 126 H ILE 18 H ILE 18 -1.192 11.928 0.906 127 HA ILE 18 HA ILE 18 -3.827 12.152 2.180 128 HB ILE 18 HB ILE 18 -4.844 10.909 0.305 129 HG12 ILE 18 HG12 ILE 18 -2.290 11.428 -1.224 130 HG13 ILE 18 HG13 ILE 18 -2.661 9.886 -0.462 131 HG21 ILE 18 HG21 ILE 18 -5.035 13.321 0.342 132 HG22 ILE 18 HG22 ILE 18 -4.902 12.743 -1.319 133 HG23 ILE 18 HG23 ILE 18 -3.508 13.478 -0.526 134 HD11 ILE 18 HD11 ILE 18 -4.257 11.220 -2.642 135 HD12 ILE 18 HD12 ILE 18 -4.661 9.688 -1.859 136 HD13 ILE 18 HD13 ILE 18 -3.190 9.822 -2.821 137 H ASN 19 H ASN 19 -4.883 9.908 2.233 138 HA ASN 19 HA ASN 19 -2.851 7.949 3.071 139 HB2 ASN 19 HB2 ASN 19 -4.227 8.671 4.945 140 HB3 ASN 19 HB3 ASN 19 -5.695 8.373 4.028 141 HD21 ASN 19 HD21 ASN 19 -3.091 6.931 5.821 142 HD22 ASN 19 HD22 ASN 19 -3.796 5.365 5.956 143 H LEU 20 H LEU 20 -2.856 5.981 2.180 144 HA LEU 20 HA LEU 20 -5.109 5.299 0.409 145 HB2 LEU 20 HB2 LEU 20 -2.161 4.818 -0.071 146 HB3 LEU 20 HB3 LEU 20 -3.424 4.030 -0.986 147 HG LEU 20 HG LEU 20 -2.641 5.783 -2.346 148 HD11 LEU 20 HD11 LEU 20 -4.535 7.258 -2.596 149 HD12 LEU 20 HD12 LEU 20 -5.132 6.792 -1.006 150 HD13 LEU 20 HD13 LEU 20 -5.057 5.599 -2.303 151 HD21 LEU 20 HD21 LEU 20 -2.951 7.644 -0.006 152 HD22 LEU 20 HD22 LEU 20 -2.413 8.084 -1.627 153 HD23 LEU 20 HD23 LEU 20 -1.426 7.017 -0.628 154 H LYS 21 H LYS 21 -5.780 3.174 0.458 155 HA LYS 21 HA LYS 21 -4.385 1.484 2.400 156 HB2 LYS 21 HB2 LYS 21 -7.380 1.731 2.066 157 HB3 LYS 21 HB3 LYS 21 -6.558 0.621 3.154 158 HG2 LYS 21 HG2 LYS 21 -5.573 2.600 4.314 159 HG3 LYS 21 HG3 LYS 21 -6.585 3.624 3.300 160 HD2 LYS 21 HD2 LYS 21 -7.623 1.484 5.159 161 HD3 LYS 21 HD3 LYS 21 -7.565 3.206 5.535 162 HE2 LYS 21 HE2 LYS 21 -9.007 3.634 3.583 163 HE3 LYS 21 HE3 LYS 21 -9.133 1.898 3.319 164 HZ1 LYS 21 HZ1 LYS 21 -10.127 1.702 5.532 165 HZ2 LYS 21 HZ2 LYS 21 -11.034 2.712 4.525 166 HZ3 LYS 21 HZ3 LYS 21 -10.045 3.386 5.725 167 H VAL 22 H VAL 22 -4.277 -0.646 1.900 168 HA VAL 22 HA VAL 22 -5.267 -1.361 -0.774 169 HB VAL 22 HB VAL 22 -2.604 -2.210 0.345 170 HG11 VAL 22 HG11 VAL 22 -3.749 -2.765 -2.340 171 HG12 VAL 22 HG12 VAL 22 -3.623 -3.908 -1.008 172 HG13 VAL 22 HG13 VAL 22 -2.166 -3.246 -1.740 173 HG21 VAL 22 HG21 VAL 22 -2.890 -0.537 -2.069 174 HG22 VAL 22 HG22 VAL 22 -1.488 -0.770 -1.023 175 HG23 VAL 22 HG23 VAL 22 -2.854 0.197 -0.466 176 H ALA 23 H ALA 23 -6.280 -3.252 -0.911 177 HA ALA 23 HA ALA 23 -6.325 -4.929 1.518 178 HB1 ALA 23 HB1 ALA 23 -8.436 -3.729 1.237 179 HB2 ALA 23 HB2 ALA 23 -8.658 -5.461 0.989 180 HB3 ALA 23 HB3 ALA 23 -8.596 -4.370 -0.396 181 H GLY 24 H GLY 24 -5.796 -7.006 1.183 182 HA2 GLY 24 HA2 GLY 24 -5.465 -7.846 -1.609 183 HA3 GLY 24 HA3 GLY 24 -4.561 -8.495 -0.247 184 H GLN 25 H GLN 25 -5.980 -9.966 -2.207 185 HA GLN 25 HA GLN 25 -8.472 -10.886 -1.474 186 HB2 GLN 25 HB2 GLN 25 -7.614 -13.098 -2.576 187 HB3 GLN 25 HB3 GLN 25 -7.834 -11.646 -3.535 188 HG2 GLN 25 HG2 GLN 25 -5.761 -12.783 -4.122 189 HG3 GLN 25 HG3 GLN 25 -5.434 -11.197 -3.438 190 HE21 GLN 25 HE21 GLN 25 -4.303 -11.044 -1.542 191 HE22 GLN 25 HE22 GLN 25 -3.571 -12.394 -0.756 192 H ASP 26 H ASP 26 -5.714 -11.222 0.403 193 HA ASP 26 HA ASP 26 -6.415 -13.744 1.633 194 HB2 ASP 26 HB2 ASP 26 -4.058 -13.088 1.474 195 HB3 ASP 26 HB3 ASP 26 -4.380 -11.643 2.425 196 H GLY 27 H GLY 27 -7.154 -10.431 2.028 197 HA2 GLY 27 HA2 GLY 27 -9.120 -9.809 3.316 198 HA3 GLY 27 HA3 GLY 27 -8.699 -11.074 4.465 199 H SER 28 H SER 28 -5.936 -9.636 3.530 200 HA SER 28 HA SER 28 -5.759 -8.089 5.984 201 HB2 SER 28 HB2 SER 28 -3.979 -9.757 5.152 202 HB3 SER 28 HB3 SER 28 -3.554 -8.531 3.962 203 HG SER 28 HG SER 28 -3.712 -7.545 6.521 204 H VAL 29 H VAL 29 -5.008 -5.870 5.955 205 HA VAL 29 HA VAL 29 -5.100 -4.445 3.444 206 HB VAL 29 HB VAL 29 -7.445 -4.397 3.958 207 HG11 VAL 29 HG11 VAL 29 -8.334 -3.545 6.061 208 HG12 VAL 29 HG12 VAL 29 -6.689 -3.431 6.695 209 HG13 VAL 29 HG13 VAL 29 -7.369 -5.005 6.270 210 HG21 VAL 29 HG21 VAL 29 -6.547 -2.296 3.120 211 HG22 VAL 29 HG22 VAL 29 -6.208 -1.768 4.769 212 HG23 VAL 29 HG23 VAL 29 -7.875 -1.996 4.241 213 H VAL 30 H VAL 30 -3.895 -2.616 3.487 214 HA VAL 30 HA VAL 30 -2.744 -1.892 6.094 215 HB VAL 30 HB VAL 30 -1.125 -1.782 3.566 216 HG11 VAL 30 HG11 VAL 30 0.759 -1.823 5.139 217 HG12 VAL 30 HG12 VAL 30 -0.384 -1.858 6.478 218 HG13 VAL 30 HG13 VAL 30 -0.321 -0.455 5.411 219 HG21 VAL 30 HG21 VAL 30 -1.258 -4.101 5.493 220 HG22 VAL 30 HG22 VAL 30 -0.083 -3.914 4.187 221 HG23 VAL 30 HG23 VAL 30 -1.793 -4.100 3.812 222 H GLN 31 H GLN 31 -2.416 0.256 6.473 223 HA GLN 31 HA GLN 31 -3.470 2.064 4.429 224 HB2 GLN 31 HB2 GLN 31 -3.121 2.594 7.389 225 HB3 GLN 31 HB3 GLN 31 -3.934 3.632 6.237 226 HG2 GLN 31 HG2 GLN 31 -5.732 2.645 7.271 227 HG3 GLN 31 HG3 GLN 31 -5.483 1.558 5.908 228 HE21 GLN 31 HE21 GLN 31 -4.936 -0.518 6.251 229 HE22 GLN 31 HE22 GLN 31 -4.793 -1.243 7.812 230 H PHE 32 H PHE 32 -2.316 3.854 3.786 231 HA PHE 32 HA PHE 32 0.430 4.139 4.829 232 HB2 PHE 32 HB2 PHE 32 -0.245 4.272 1.894 233 HB3 PHE 32 HB3 PHE 32 1.351 4.267 2.626 234 HD1 PHE 32 HD1 PHE 32 -1.565 2.224 1.765 235 HD2 PHE 32 HD2 PHE 32 2.404 2.216 3.301 236 HE1 PHE 32 HE1 PHE 32 -1.476 -0.204 1.499 237 HE2 PHE 32 HE2 PHE 32 2.502 -0.227 3.034 238 HZ PHE 32 HZ PHE 32 0.554 -1.440 2.132 239 HH31 ALY 33 HH31 ALY 33 -6.090 12.049 6.408 240 HH32 ALY 33 HH32 ALY 33 -5.706 12.956 7.888 241 HH33 ALY 33 HH33 ALY 33 -5.977 11.200 7.943 242 HZ ALY 33 HZ ALY 33 -4.438 10.333 5.835 243 HE3 ALY 33 HE3 ALY 33 -2.359 10.133 7.884 244 HE2 ALY 33 HE2 ALY 33 -3.238 8.790 7.153 245 HD3 ALY 33 HD3 ALY 33 -2.095 9.182 5.038 246 HD2 ALY 33 HD2 ALY 33 -1.235 10.546 5.754 247 HG3 ALY 33 HG3 ALY 33 -0.324 8.912 7.460 248 HG2 ALY 33 HG2 ALY 33 -0.981 7.627 6.438 249 HB3 ALY 33 HB3 ALY 33 0.904 9.739 5.440 250 HB2 ALY 33 HB2 ALY 33 1.439 8.192 6.076 251 HCA ALY 33 HCA ALY 33 -0.507 8.355 3.785 252 H ALY 33 H ALY 33 1.357 6.206 4.543 253 H ILE 34 H ILE 34 0.183 9.185 1.916 254 HA ILE 34 HA ILE 34 3.031 9.812 1.619 255 HB ILE 34 HB ILE 34 3.178 8.933 -0.634 256 HG12 ILE 34 HG12 ILE 34 0.373 7.858 -0.301 257 HG13 ILE 34 HG13 ILE 34 0.761 9.319 -1.203 258 HG21 ILE 34 HG21 ILE 34 3.734 7.367 1.145 259 HG22 ILE 34 HG22 ILE 34 3.014 6.519 -0.225 260 HG23 ILE 34 HG23 ILE 34 2.049 6.841 1.219 261 HD11 ILE 34 HD11 ILE 34 2.073 8.037 -2.773 262 HD12 ILE 34 HD12 ILE 34 0.453 7.351 -2.645 263 HD13 ILE 34 HD13 ILE 34 1.811 6.571 -1.833 264 H LYS 35 H LYS 35 3.273 11.116 -0.552 265 HA LYS 35 HA LYS 35 1.302 13.220 -0.430 266 HB2 LYS 35 HB2 LYS 35 3.964 12.927 -1.775 267 HB3 LYS 35 HB3 LYS 35 2.868 14.229 -2.208 268 HG2 LYS 35 HG2 LYS 35 2.955 15.136 -0.010 269 HG3 LYS 35 HG3 LYS 35 3.833 13.729 0.596 270 HD2 LYS 35 HD2 LYS 35 5.249 15.766 0.165 271 HD3 LYS 35 HD3 LYS 35 5.776 14.301 -0.663 272 HE2 LYS 35 HE2 LYS 35 5.909 16.184 -2.175 273 HE3 LYS 35 HE3 LYS 35 4.651 15.075 -2.710 274 HZ1 LYS 35 HZ1 LYS 35 2.974 16.564 -1.794 275 HZ2 LYS 35 HZ2 LYS 35 3.970 17.424 -2.840 276 HZ3 LYS 35 HZ3 LYS 35 4.169 17.585 -1.176 277 H ARG 36 H ARG 36 0.177 13.988 -2.218 278 HA ARG 36 HA ARG 36 -1.017 12.030 -3.862 279 HB2 ARG 36 HB2 ARG 36 -2.049 13.974 -4.994 280 HB3 ARG 36 HB3 ARG 36 -2.205 14.023 -3.240 281 HG2 ARG 36 HG2 ARG 36 -0.582 15.678 -3.025 282 HG3 ARG 36 HG3 ARG 36 0.023 15.416 -4.658 283 HD2 ARG 36 HD2 ARG 36 -2.112 16.209 -5.523 284 HD3 ARG 36 HD3 ARG 36 -2.620 16.610 -3.879 285 HE ARG 36 HE ARG 36 -0.182 17.833 -4.211 286 HH11 ARG 36 HH11 ARG 36 -3.323 18.046 -5.772 287 HH12 ARG 36 HH12 ARG 36 -3.109 19.685 -6.277 288 HH21 ARG 36 HH21 ARG 36 0.094 20.021 -4.874 289 HH22 ARG 36 HH22 ARG 36 -1.158 20.817 -5.759 290 H HIS 37 H HIS 37 1.833 13.961 -4.263 291 HA HIS 37 HA HIS 37 1.862 13.525 -7.168 292 HB2 HIS 37 HB2 HIS 37 2.101 15.853 -6.212 293 HB3 HIS 37 HB3 HIS 37 3.606 15.317 -5.480 294 HD1 HIS 37 HD1 HIS 37 4.814 17.185 -6.893 295 HD2 HIS 37 HD2 HIS 37 3.036 14.179 -9.143 296 HE1 HIS 37 HE1 HIS 37 5.759 17.423 -9.209 297 HE2 HIS 37 HE2 HIS 37 4.539 15.709 -10.583 298 H THR 38 H THR 38 2.762 12.089 -4.461 299 HA THR 38 HA THR 38 5.467 11.346 -5.168 300 HB THR 38 HB THR 38 3.677 11.108 -2.803 301 HG1 THR 38 HG1 THR 38 6.381 11.625 -2.522 302 HG21 THR 38 HG21 THR 38 4.503 8.825 -3.100 303 HG22 THR 38 HG22 THR 38 5.208 9.596 -1.673 304 HG23 THR 38 HG23 THR 38 6.163 9.432 -3.149 305 HA PRO 39 HA PRO 39 4.136 7.733 -7.392 306 HB2 PRO 39 HB2 PRO 39 6.328 6.136 -6.877 307 HB3 PRO 39 HB3 PRO 39 6.263 7.369 -8.142 308 HG2 PRO 39 HG2 PRO 39 7.405 7.537 -5.382 309 HG3 PRO 39 HG3 PRO 39 8.076 8.153 -6.907 310 HD2 PRO 39 HD2 PRO 39 6.871 9.794 -5.184 311 HD3 PRO 39 HD3 PRO 39 6.640 9.990 -6.936 312 H LEU 40 H LEU 40 2.713 6.278 -6.756 313 HA LEU 40 HA LEU 40 2.435 5.528 -4.047 314 HB2 LEU 40 HB2 LEU 40 0.666 3.932 -4.997 315 HB3 LEU 40 HB3 LEU 40 0.411 5.654 -5.155 316 HG LEU 40 HG LEU 40 1.258 5.477 -7.520 317 HD11 LEU 40 HD11 LEU 40 1.222 3.268 -8.574 318 HD12 LEU 40 HD12 LEU 40 1.013 2.524 -6.989 319 HD13 LEU 40 HD13 LEU 40 2.494 3.404 -7.364 320 HD21 LEU 40 HD21 LEU 40 -1.187 3.874 -6.808 321 HD22 LEU 40 HD22 LEU 40 -0.832 4.570 -8.388 322 HD23 LEU 40 HD23 LEU 40 -1.112 5.625 -7.004 323 H SER 41 H SER 41 4.322 4.244 -6.543 324 HA SER 41 HA SER 41 4.393 1.531 -6.107 325 HB2 SER 41 HB2 SER 41 5.631 2.720 -7.905 326 HB3 SER 41 HB3 SER 41 6.777 3.301 -6.701 327 HG SER 41 HG SER 41 7.762 1.466 -6.831 328 H LYS 42 H LYS 42 5.775 4.089 -4.176 329 HA LYS 42 HA LYS 42 7.544 2.675 -2.545 330 HB2 LYS 42 HB2 LYS 42 5.763 5.018 -1.852 331 HB3 LYS 42 HB3 LYS 42 7.108 4.457 -0.870 332 HG2 LYS 42 HG2 LYS 42 8.684 5.046 -2.572 333 HG3 LYS 42 HG3 LYS 42 7.386 5.397 -3.712 334 HD2 LYS 42 HD2 LYS 42 8.400 7.437 -2.720 335 HD3 LYS 42 HD3 LYS 42 6.670 7.290 -2.410 336 HE2 LYS 42 HE2 LYS 42 7.907 8.035 -0.426 337 HE3 LYS 42 HE3 LYS 42 7.121 6.479 -0.164 338 HZ1 LYS 42 HZ1 LYS 42 9.325 6.418 0.724 339 HZ2 LYS 42 HZ2 LYS 42 9.996 6.944 -0.733 340 HZ3 LYS 42 HZ3 LYS 42 9.284 5.417 -0.635 341 H LEU 43 H LEU 43 4.103 3.348 -2.036 342 HA LEU 43 HA LEU 43 3.944 1.806 0.353 343 HB2 LEU 43 HB2 LEU 43 1.643 2.291 0.409 344 HB3 LEU 43 HB3 LEU 43 2.405 3.711 -0.270 345 HG LEU 43 HG LEU 43 1.738 2.560 -2.558 346 HD11 LEU 43 HD11 LEU 43 -0.403 1.399 -2.414 347 HD12 LEU 43 HD12 LEU 43 -0.337 1.480 -0.654 348 HD13 LEU 43 HD13 LEU 43 0.849 0.521 -1.534 349 HD21 LEU 43 HD21 LEU 43 -0.342 3.861 -2.520 350 HD22 LEU 43 HD22 LEU 43 1.012 4.758 -1.834 351 HD23 LEU 43 HD23 LEU 43 -0.192 4.030 -0.772 352 H MET 44 H MET 44 3.435 1.090 -3.038 353 HA MET 44 HA MET 44 2.044 -1.333 -2.669 354 HB2 MET 44 HB2 MET 44 3.796 -0.487 -4.984 355 HB3 MET 44 HB3 MET 44 2.741 -1.893 -4.988 356 HG2 MET 44 HG2 MET 44 0.870 -0.202 -4.446 357 HG3 MET 44 HG3 MET 44 2.018 1.006 -5.015 358 HE1 MET 44 HE1 MET 44 3.071 0.955 -7.522 359 HE2 MET 44 HE2 MET 44 2.633 -0.260 -8.720 360 HE3 MET 44 HE3 MET 44 3.555 -0.726 -7.288 361 H LYS 45 H LYS 45 5.497 -0.624 -2.991 362 HA LYS 45 HA LYS 45 6.305 -3.332 -2.788 363 HB2 LYS 45 HB2 LYS 45 7.724 -0.717 -2.434 364 HB3 LYS 45 HB3 LYS 45 8.518 -2.230 -2.021 365 HG2 LYS 45 HG2 LYS 45 7.302 -2.374 -4.624 366 HG3 LYS 45 HG3 LYS 45 8.423 -1.023 -4.522 367 HD2 LYS 45 HD2 LYS 45 9.601 -2.998 -5.270 368 HD3 LYS 45 HD3 LYS 45 10.151 -2.566 -3.653 369 HE2 LYS 45 HE2 LYS 45 8.727 -4.292 -2.688 370 HE3 LYS 45 HE3 LYS 45 8.105 -4.695 -4.288 371 HZ1 LYS 45 HZ1 LYS 45 10.347 -5.353 -4.939 372 HZ2 LYS 45 HZ2 LYS 45 9.817 -6.242 -3.605 373 HZ3 LYS 45 HZ3 LYS 45 10.925 -4.988 -3.391 374 H ALA 46 H ALA 46 5.718 -0.796 -0.424 375 HA ALA 46 HA ALA 46 6.809 -2.135 1.817 376 HB1 ALA 46 HB1 ALA 46 4.609 -0.072 1.708 377 HB2 ALA 46 HB2 ALA 46 6.336 0.254 1.881 378 HB3 ALA 46 HB3 ALA 46 5.460 -0.593 3.163 379 H TYR 47 H TYR 47 3.670 -2.171 0.257 380 HA TYR 47 HA TYR 47 2.275 -3.646 2.164 381 HB2 TYR 47 HB2 TYR 47 1.120 -2.522 0.356 382 HB3 TYR 47 HB3 TYR 47 1.955 -3.506 -0.839 383 HD1 TYR 47 HD1 TYR 47 -0.702 -3.446 1.679 384 HD2 TYR 47 HD2 TYR 47 1.309 -5.794 -1.231 385 HE1 TYR 47 HE1 TYR 47 -2.515 -5.099 1.778 386 HE2 TYR 47 HE2 TYR 47 -0.487 -7.455 -1.161 387 HH TYR 47 HH TYR 47 -2.266 -8.135 0.748 388 H CYS 48 H CYS 48 3.936 -4.735 -0.792 389 HA CYS 48 HA CYS 48 3.543 -7.472 -0.408 390 HB2 CYS 48 HB2 CYS 48 5.919 -6.224 -1.811 391 HB3 CYS 48 HB3 CYS 48 5.227 -7.820 -2.076 392 HG CYS 48 HG CYS 48 3.740 -4.837 -2.851 393 H GLU 49 H GLU 49 6.147 -5.350 0.725 394 HA GLU 49 HA GLU 49 7.847 -7.295 1.767 395 HB2 GLU 49 HB2 GLU 49 7.318 -4.466 2.661 396 HB3 GLU 49 HB3 GLU 49 8.648 -5.457 3.261 397 HG2 GLU 49 HG2 GLU 49 8.190 -4.548 0.434 398 HG3 GLU 49 HG3 GLU 49 9.413 -3.957 1.548 399 H ARG 50 H ARG 50 5.266 -5.473 3.412 400 HA ARG 50 HA ARG 50 5.642 -6.812 5.903 401 HB2 ARG 50 HB2 ARG 50 3.587 -5.644 6.593 402 HB3 ARG 50 HB3 ARG 50 4.735 -4.561 5.816 403 HG2 ARG 50 HG2 ARG 50 3.410 -4.941 3.687 404 HG3 ARG 50 HG3 ARG 50 2.167 -5.638 4.728 405 HD2 ARG 50 HD2 ARG 50 1.900 -3.211 4.193 406 HD3 ARG 50 HD3 ARG 50 1.900 -3.603 5.908 407 HE ARG 50 HE ARG 50 4.307 -2.619 4.521 408 HH11 ARG 50 HH11 ARG 50 2.010 -2.422 7.182 409 HH12 ARG 50 HH12 ARG 50 2.879 -1.180 8.008 410 HH21 ARG 50 HH21 ARG 50 5.470 -0.967 5.634 411 HH22 ARG 50 HH22 ARG 50 4.851 -0.351 7.126 412 H GLN 51 H GLN 51 3.452 -7.291 3.189 413 HA GLN 51 HA GLN 51 1.763 -9.185 4.470 414 HB2 GLN 51 HB2 GLN 51 2.284 -8.529 1.589 415 HB3 GLN 51 HB3 GLN 51 1.092 -9.719 2.104 416 HG2 GLN 51 HG2 GLN 51 1.097 -6.873 3.009 417 HG3 GLN 51 HG3 GLN 51 0.246 -7.437 1.573 418 HE21 GLN 51 HE21 GLN 51 0.402 -7.561 5.033 419 HE22 GLN 51 HE22 GLN 51 -1.201 -8.175 5.279 420 H GLY 52 H GLY 52 4.911 -9.450 3.200 421 HA2 GLY 52 HA2 GLY 52 6.254 -11.315 2.975 422 HA3 GLY 52 HA3 GLY 52 4.904 -12.283 3.585 423 H LEU 53 H LEU 53 4.977 -10.088 0.854 424 HA LEU 53 HA LEU 53 4.213 -12.264 -0.931 425 HB2 LEU 53 HB2 LEU 53 2.884 -9.702 -0.301 426 HB3 LEU 53 HB3 LEU 53 2.971 -10.127 -1.995 427 HG LEU 53 HG LEU 53 1.636 -12.018 -1.707 428 HD11 LEU 53 HD11 LEU 53 2.652 -12.963 0.253 429 HD12 LEU 53 HD12 LEU 53 0.901 -12.876 0.462 430 HD13 LEU 53 HD13 LEU 53 1.947 -11.699 1.261 431 HD21 LEU 53 HD21 LEU 53 0.526 -9.955 0.166 432 HD22 LEU 53 HD22 LEU 53 -0.397 -11.144 -0.762 433 HD23 LEU 53 HD23 LEU 53 0.473 -9.849 -1.587 434 H SER 54 H SER 54 4.612 -11.635 -3.226 435 HA SER 54 HA SER 54 6.805 -9.700 -3.424 436 HB2 SER 54 HB2 SER 54 6.519 -12.403 -4.711 437 HB3 SER 54 HB3 SER 54 7.701 -11.216 -5.243 438 HG SER 54 HG SER 54 7.731 -11.541 -2.547 439 H MET 55 H MET 55 7.075 -8.714 -5.539 440 HA MET 55 HA MET 55 4.682 -7.700 -6.547 441 HB2 MET 55 HB2 MET 55 7.527 -7.563 -7.461 442 HB3 MET 55 HB3 MET 55 6.251 -6.928 -8.489 443 HG2 MET 55 HG2 MET 55 6.730 -6.111 -5.638 444 HG3 MET 55 HG3 MET 55 7.275 -5.214 -7.052 445 HE1 MET 55 HE1 MET 55 5.894 -3.192 -5.692 446 HE2 MET 55 HE2 MET 55 5.304 -4.394 -4.543 447 HE3 MET 55 HE3 MET 55 4.167 -3.319 -5.353 448 H ARG 56 H ARG 56 6.607 -10.435 -7.565 449 HA ARG 56 HA ARG 56 5.103 -10.787 -10.022 450 HB2 ARG 56 HB2 ARG 56 6.404 -12.891 -10.277 451 HB3 ARG 56 HB3 ARG 56 7.409 -11.465 -10.091 452 HG2 ARG 56 HG2 ARG 56 6.836 -12.758 -7.560 453 HG3 ARG 56 HG3 ARG 56 7.664 -13.814 -8.708 454 HD2 ARG 56 HD2 ARG 56 8.545 -11.024 -8.043 455 HD3 ARG 56 HD3 ARG 56 9.177 -12.463 -7.238 456 HE ARG 56 HE ARG 56 9.360 -12.563 -10.105 457 HH11 ARG 56 HH11 ARG 56 10.956 -11.466 -7.180 458 HH12 ARG 56 HH12 ARG 56 12.530 -11.442 -7.896 459 HH21 ARG 56 HH21 ARG 56 11.457 -12.521 -11.055 460 HH22 ARG 56 HH22 ARG 56 12.815 -12.061 -10.093 461 H GLN 57 H GLN 57 4.712 -11.515 -6.803 462 HA GLN 57 HA GLN 57 3.161 -13.929 -7.224 463 HB2 GLN 57 HB2 GLN 57 4.337 -12.539 -4.891 464 HB3 GLN 57 HB3 GLN 57 2.830 -13.401 -4.598 465 HG2 GLN 57 HG2 GLN 57 4.789 -14.778 -4.108 466 HG3 GLN 57 HG3 GLN 57 3.817 -15.463 -5.401 467 HE21 GLN 57 HE21 GLN 57 4.615 -15.385 -7.527 468 HE22 GLN 57 HE22 GLN 57 6.296 -15.198 -7.833 469 H ILE 58 H ILE 58 2.645 -10.575 -6.958 470 HA ILE 58 HA ILE 58 -0.266 -11.015 -6.952 471 HB ILE 58 HB ILE 58 -0.719 -9.332 -5.291 472 HG12 ILE 58 HG12 ILE 58 2.287 -8.957 -5.196 473 HG13 ILE 58 HG13 ILE 58 1.083 -7.789 -5.728 474 HG21 ILE 58 HG21 ILE 58 -0.228 -11.662 -4.556 475 HG22 ILE 58 HG22 ILE 58 0.042 -10.434 -3.320 476 HG23 ILE 58 HG23 ILE 58 1.417 -11.134 -4.181 477 HD11 ILE 58 HD11 ILE 58 1.476 -8.801 -2.926 478 HD12 ILE 58 HD12 ILE 58 0.202 -7.691 -3.437 479 HD13 ILE 58 HD13 ILE 58 1.895 -7.204 -3.545 480 H ARG 59 H ARG 59 -1.311 -8.685 -7.063 481 HA ARG 59 HA ARG 59 0.173 -6.749 -8.565 482 HB2 ARG 59 HB2 ARG 59 -1.583 -8.633 -9.967 483 HB3 ARG 59 HB3 ARG 59 -1.924 -6.954 -10.332 484 HG2 ARG 59 HG2 ARG 59 0.717 -8.374 -10.669 485 HG3 ARG 59 HG3 ARG 59 -0.376 -7.850 -11.952 486 HD2 ARG 59 HD2 ARG 59 -0.045 -5.496 -11.139 487 HD3 ARG 59 HD3 ARG 59 1.191 -6.107 -10.046 488 HE ARG 59 HE ARG 59 1.431 -6.521 -12.948 489 HH11 ARG 59 HH11 ARG 59 2.741 -5.222 -9.944 490 HH12 ARG 59 HH12 ARG 59 4.232 -4.725 -10.661 491 HH21 ARG 59 HH21 ARG 59 3.408 -5.877 -13.884 492 HH22 ARG 59 HH22 ARG 59 4.627 -5.118 -12.917 493 H PHE 60 H PHE 60 -0.701 -4.745 -8.503 494 HA PHE 60 HA PHE 60 -3.022 -4.427 -6.763 495 HB2 PHE 60 HB2 PHE 60 -0.964 -2.389 -7.667 496 HB3 PHE 60 HB3 PHE 60 -2.261 -2.095 -6.516 497 HD1 PHE 60 HD1 PHE 60 0.712 -4.263 -7.060 498 HD2 PHE 60 HD2 PHE 60 -1.851 -2.371 -4.215 499 HE1 PHE 60 HE1 PHE 60 2.199 -4.968 -5.240 500 HE2 PHE 60 HE2 PHE 60 -0.358 -3.077 -2.415 501 HZ PHE 60 HZ PHE 60 1.659 -4.380 -2.917 502 H ARG 61 H ARG 61 -4.775 -3.165 -7.367 503 HA ARG 61 HA ARG 61 -4.916 -2.180 -10.116 504 HB2 ARG 61 HB2 ARG 61 -5.680 -4.399 -10.385 505 HB3 ARG 61 HB3 ARG 61 -6.639 -4.341 -8.917 506 HG2 ARG 61 HG2 ARG 61 -7.376 -2.477 -11.096 507 HG3 ARG 61 HG3 ARG 61 -7.681 -4.196 -11.352 508 HD2 ARG 61 HD2 ARG 61 -8.717 -4.063 -8.952 509 HD3 ARG 61 HD3 ARG 61 -8.841 -2.344 -9.320 510 HE ARG 61 HE ARG 61 -9.892 -3.745 -11.479 511 HH11 ARG 61 HH11 ARG 61 -10.656 -3.212 -8.077 512 HH12 ARG 61 HH12 ARG 61 -12.347 -3.493 -8.295 513 HH21 ARG 61 HH21 ARG 61 -12.161 -4.084 -11.748 514 HH22 ARG 61 HH22 ARG 61 -13.198 -3.973 -10.369 515 H PHE 62 H PHE 62 -6.211 -0.443 -10.370 516 HA PHE 62 HA PHE 62 -8.034 0.317 -8.229 517 HB2 PHE 62 HB2 PHE 62 -5.930 1.443 -7.665 518 HB3 PHE 62 HB3 PHE 62 -5.874 2.161 -9.276 519 HD1 PHE 62 HD1 PHE 62 -8.004 1.906 -6.291 520 HD2 PHE 62 HD2 PHE 62 -6.848 4.252 -9.620 521 HE1 PHE 62 HE1 PHE 62 -9.361 3.769 -5.458 522 HE2 PHE 62 HE2 PHE 62 -8.193 6.134 -8.775 523 HZ PHE 62 HZ PHE 62 -9.455 5.873 -6.657 524 H ASP 63 H ASP 63 -9.642 1.678 -8.905 525 HA ASP 63 HA ASP 63 -11.235 2.522 -10.359 526 HB2 ASP 63 HB2 ASP 63 -9.132 3.950 -10.779 527 HB3 ASP 63 HB3 ASP 63 -8.992 3.068 -12.277 528 H GLY 64 H GLY 64 -10.167 -0.284 -10.659 529 HA2 GLY 64 HA2 GLY 64 -10.886 -2.027 -11.918 530 HA3 GLY 64 HA3 GLY 64 -11.634 -0.916 -13.051 531 H GLN 65 H GLN 65 -8.471 0.053 -12.561 532 HA GLN 65 HA GLN 65 -7.547 -1.483 -14.872 533 HB2 GLN 65 HB2 GLN 65 -6.204 0.519 -15.471 534 HB3 GLN 65 HB3 GLN 65 -7.931 0.827 -15.523 535 HG2 GLN 65 HG2 GLN 65 -7.785 1.888 -13.320 536 HG3 GLN 65 HG3 GLN 65 -6.047 1.628 -13.311 537 HE21 GLN 65 HE21 GLN 65 -5.576 3.790 -13.197 538 HE22 GLN 65 HE22 GLN 65 -5.826 4.888 -14.505 539 HA PRO 66 HA PRO 66 -4.173 -2.799 -12.305 540 HB2 PRO 66 HB2 PRO 66 -2.352 -2.547 -14.581 541 HB3 PRO 66 HB3 PRO 66 -2.870 -4.001 -13.729 542 HG2 PRO 66 HG2 PRO 66 -3.672 -3.379 -16.256 543 HG3 PRO 66 HG3 PRO 66 -4.636 -4.353 -15.134 544 HD2 PRO 66 HD2 PRO 66 -4.987 -1.505 -15.950 545 HD3 PRO 66 HD3 PRO 66 -6.192 -2.721 -15.498 546 H ILE 67 H ILE 67 -2.632 -1.820 -11.050 547 HA ILE 67 HA ILE 67 -1.915 0.943 -11.692 548 HB ILE 67 HB ILE 67 -1.254 -0.646 -9.199 549 HG12 ILE 67 HG12 ILE 67 -3.572 1.237 -9.663 550 HG13 ILE 67 HG13 ILE 67 -3.690 -0.513 -9.498 551 HG21 ILE 67 HG21 ILE 67 -1.281 2.322 -9.723 552 HG22 ILE 67 HG22 ILE 67 0.150 1.308 -9.533 553 HG23 ILE 67 HG23 ILE 67 -0.943 1.556 -8.170 554 HD11 ILE 67 HD11 ILE 67 -2.749 -0.294 -7.209 555 HD12 ILE 67 HD12 ILE 67 -4.310 0.482 -7.428 556 HD13 ILE 67 HD13 ILE 67 -2.842 1.457 -7.392 557 H ASN 68 H ASN 68 0.239 1.650 -11.874 558 HA ASN 68 HA ASN 68 2.175 -0.525 -12.334 559 HB2 ASN 68 HB2 ASN 68 2.619 2.235 -13.397 560 HB3 ASN 68 HB3 ASN 68 3.181 0.694 -14.016 561 HD21 ASN 68 HD21 ASN 68 0.658 3.007 -13.963 562 HD22 ASN 68 HD22 ASN 68 -0.256 2.340 -15.241 563 H GLU 69 H GLU 69 4.439 0.257 -11.971 564 HA GLU 69 HA GLU 69 4.655 1.445 -9.378 565 HB2 GLU 69 HB2 GLU 69 7.109 1.188 -9.784 566 HB3 GLU 69 HB3 GLU 69 6.197 -0.301 -9.988 567 HG2 GLU 69 HG2 GLU 69 6.203 0.099 -12.440 568 HG3 GLU 69 HG3 GLU 69 7.252 1.486 -12.164 569 H THR 70 H THR 70 4.552 2.592 -12.561 570 HA THR 70 HA THR 70 5.903 5.095 -12.000 571 HB THR 70 HB THR 70 5.259 5.559 -14.420 572 HG1 THR 70 HG1 THR 70 4.160 4.049 -15.478 573 HG21 THR 70 HG21 THR 70 6.978 4.035 -15.302 574 HG22 THR 70 HG22 THR 70 6.902 3.097 -13.808 575 HG23 THR 70 HG23 THR 70 7.484 4.760 -13.776 576 H ASP 71 H ASP 71 3.029 3.977 -11.206 577 HA ASP 71 HA ASP 71 1.335 6.119 -12.154 578 HB2 ASP 71 HB2 ASP 71 0.944 3.638 -10.599 579 HB3 ASP 71 HB3 ASP 71 -0.199 4.941 -10.327 580 H THR 72 H THR 72 0.620 7.835 -11.027 581 HA THR 72 HA THR 72 1.544 8.160 -8.258 582 HB THR 72 HB THR 72 0.822 10.682 -9.110 583 HG1 THR 72 HG1 THR 72 2.489 9.930 -11.188 584 HG21 THR 72 HG21 THR 72 2.794 10.134 -7.795 585 HG22 THR 72 HG22 THR 72 3.245 11.126 -9.184 586 HG23 THR 72 HG23 THR 72 3.550 9.390 -9.205 587 HA PRO 73 HA PRO 73 -2.631 7.832 -6.952 588 HB2 PRO 73 HB2 PRO 73 -2.580 9.670 -4.869 589 HB3 PRO 73 HB3 PRO 73 -2.068 7.986 -4.755 590 HG2 PRO 73 HG2 PRO 73 -0.421 10.447 -5.122 591 HG3 PRO 73 HG3 PRO 73 -0.070 8.986 -4.181 592 HD2 PRO 73 HD2 PRO 73 1.056 9.486 -6.561 593 HD3 PRO 73 HD3 PRO 73 0.660 7.831 -6.041 594 H ALA 74 H ALA 74 -1.343 11.071 -7.441 595 HA ALA 74 HA ALA 74 -3.843 12.387 -7.442 596 HB1 ALA 74 HB1 ALA 74 -2.632 14.296 -8.330 597 HB2 ALA 74 HB2 ALA 74 -1.263 13.249 -8.724 598 HB3 ALA 74 HB3 ALA 74 -1.703 13.522 -7.042 599 H GLN 75 H GLN 75 -2.083 10.656 -9.868 600 HA GLN 75 HA GLN 75 -3.300 11.777 -12.155 601 HB2 GLN 75 HB2 GLN 75 -1.897 9.186 -11.610 602 HB3 GLN 75 HB3 GLN 75 -2.609 9.505 -13.183 603 HG2 GLN 75 HG2 GLN 75 -0.524 11.205 -11.831 604 HG3 GLN 75 HG3 GLN 75 -0.209 10.010 -13.089 605 HE21 GLN 75 HE21 GLN 75 -1.507 13.152 -12.379 606 HE22 GLN 75 HE22 GLN 75 -1.653 13.678 -14.015 607 H LEU 76 H LEU 76 -4.196 9.101 -10.046 608 HA LEU 76 HA LEU 76 -6.525 8.542 -11.702 609 HB2 LEU 76 HB2 LEU 76 -5.977 7.177 -9.097 610 HB3 LEU 76 HB3 LEU 76 -6.760 6.545 -10.531 611 HG LEU 76 HG LEU 76 -4.247 6.959 -11.479 612 HD11 LEU 76 HD11 LEU 76 -3.927 6.110 -8.612 613 HD12 LEU 76 HD12 LEU 76 -3.449 7.673 -9.274 614 HD13 LEU 76 HD13 LEU 76 -2.652 6.196 -9.829 615 HD21 LEU 76 HD21 LEU 76 -5.028 4.459 -10.001 616 HD22 LEU 76 HD22 LEU 76 -3.965 4.605 -11.399 617 HD23 LEU 76 HD23 LEU 76 -5.694 4.900 -11.571 618 H GLU 77 H GLU 77 -5.815 10.854 -9.667 619 HA GLU 77 HA GLU 77 -6.781 12.130 -8.065 620 HB2 GLU 77 HB2 GLU 77 -9.094 12.877 -8.632 621 HB3 GLU 77 HB3 GLU 77 -7.949 12.973 -9.958 622 HG2 GLU 77 HG2 GLU 77 -8.889 10.987 -10.955 623 HG3 GLU 77 HG3 GLU 77 -9.973 10.779 -9.580 624 H MET 78 H MET 78 -6.557 9.618 -7.103 625 HA MET 78 HA MET 78 -9.012 8.679 -6.010 626 HB2 MET 78 HB2 MET 78 -7.657 7.032 -4.890 627 HB3 MET 78 HB3 MET 78 -7.076 7.232 -6.540 628 HG2 MET 78 HG2 MET 78 -5.467 8.957 -5.347 629 HG3 MET 78 HG3 MET 78 -5.773 7.888 -3.980 630 HE1 MET 78 HE1 MET 78 -6.308 5.200 -5.920 631 HE2 MET 78 HE2 MET 78 -5.550 5.127 -4.328 632 HE3 MET 78 HE3 MET 78 -4.740 4.419 -5.728 633 H GLU 79 H GLU 79 -9.429 8.516 -3.689 634 HA GLU 79 HA GLU 79 -8.776 11.056 -2.356 635 HB2 GLU 79 HB2 GLU 79 -10.825 10.756 -1.115 636 HB3 GLU 79 HB3 GLU 79 -11.171 10.538 -2.827 637 HG2 GLU 79 HG2 GLU 79 -11.006 8.075 -2.475 638 HG3 GLU 79 HG3 GLU 79 -10.834 8.385 -0.759 639 H ASP 80 H ASP 80 -8.313 10.988 0.034 640 HA ASP 80 HA ASP 80 -6.710 8.961 0.875 641 HB2 ASP 80 HB2 ASP 80 -7.029 9.880 3.128 642 HB3 ASP 80 HB3 ASP 80 -6.780 11.162 1.946 643 H GLU 81 H GLU 81 -6.951 7.193 2.053 644 HA GLU 81 HA GLU 81 -7.820 5.388 3.050 645 HB2 GLU 81 HB2 GLU 81 -10.276 7.094 3.221 646 HB3 GLU 81 HB3 GLU 81 -10.295 5.406 3.710 647 HG2 GLU 81 HG2 GLU 81 -8.154 6.263 5.073 648 HG3 GLU 81 HG3 GLU 81 -9.095 7.752 5.003 649 H ASP 82 H ASP 82 -8.007 6.127 0.115 650 HA ASP 82 HA ASP 82 -10.158 4.653 -0.949 651 HB2 ASP 82 HB2 ASP 82 -8.996 6.091 -2.459 652 HB3 ASP 82 HB3 ASP 82 -7.449 5.306 -2.116 653 H THR 83 H THR 83 -10.249 2.516 -1.819 654 HA THR 83 HA THR 83 -8.459 0.670 -0.415 655 HB THR 83 HB THR 83 -11.131 0.050 -1.683 656 HG1 THR 83 HG1 THR 83 -11.363 1.520 0.049 657 HG21 THR 83 HG21 THR 83 -9.651 -1.892 -1.375 658 HG22 THR 83 HG22 THR 83 -11.025 -1.959 -0.273 659 HG23 THR 83 HG23 THR 83 -9.443 -1.462 0.323 660 H ILE 84 H ILE 84 -6.875 -0.087 -1.573 661 HA ILE 84 HA ILE 84 -6.947 -0.287 -4.459 662 HB ILE 84 HB ILE 84 -4.775 -1.219 -2.541 663 HG12 ILE 84 HG12 ILE 84 -5.342 1.242 -2.397 664 HG13 ILE 84 HG13 ILE 84 -3.683 0.878 -2.841 665 HG21 ILE 84 HG21 ILE 84 -3.323 -1.019 -4.553 666 HG22 ILE 84 HG22 ILE 84 -4.765 -0.696 -5.519 667 HG23 ILE 84 HG23 ILE 84 -4.573 -2.255 -4.712 668 HD11 ILE 84 HD11 ILE 84 -5.884 1.694 -4.712 669 HD12 ILE 84 HD12 ILE 84 -4.216 1.317 -5.163 670 HD13 ILE 84 HD13 ILE 84 -4.559 2.708 -4.133 671 H ASP 85 H ASP 85 -6.898 -2.205 -5.623 672 HA ASP 85 HA ASP 85 -7.846 -4.567 -4.166 673 HB2 ASP 85 HB2 ASP 85 -7.984 -3.781 -7.061 674 HB3 ASP 85 HB3 ASP 85 -8.543 -5.334 -6.442 675 H VAL 86 H VAL 86 -6.307 -6.046 -3.724 676 HA VAL 86 HA VAL 86 -4.204 -6.479 -5.744 677 HB VAL 86 HB VAL 86 -4.157 -7.032 -2.768 678 HG11 VAL 86 HG11 VAL 86 -1.894 -7.859 -3.075 679 HG12 VAL 86 HG12 VAL 86 -2.027 -7.627 -4.818 680 HG13 VAL 86 HG13 VAL 86 -3.024 -8.837 -4.011 681 HG21 VAL 86 HG21 VAL 86 -2.317 -5.445 -2.779 682 HG22 VAL 86 HG22 VAL 86 -3.801 -4.720 -3.401 683 HG23 VAL 86 HG23 VAL 86 -2.525 -5.215 -4.513 684 H PHE 87 H PHE 87 -3.914 -8.419 -6.618 685 HA PHE 87 HA PHE 87 -5.482 -10.668 -5.616 686 HB2 PHE 87 HB2 PHE 87 -5.935 -11.268 -8.073 687 HB3 PHE 87 HB3 PHE 87 -6.903 -9.984 -7.361 688 HD1 PHE 87 HD1 PHE 87 -6.529 -7.663 -7.994 689 HD2 PHE 87 HD2 PHE 87 -4.386 -10.830 -9.842 690 HE1 PHE 87 HE1 PHE 87 -5.888 -6.160 -9.811 691 HE2 PHE 87 HE2 PHE 87 -3.741 -9.329 -11.678 692 HZ PHE 87 HZ PHE 87 -4.492 -6.984 -11.667 693 H GLN 88 H GLN 88 -4.637 -12.795 -6.322 694 HA GLN 88 HA GLN 88 -1.814 -12.775 -6.190 695 HB2 GLN 88 HB2 GLN 88 -3.578 -14.409 -5.195 696 HB3 GLN 88 HB3 GLN 88 -3.492 -15.184 -6.770 697 HG2 GLN 88 HG2 GLN 88 -1.934 -16.392 -5.625 698 HG3 GLN 88 HG3 GLN 88 -0.937 -15.107 -6.317 699 HE21 GLN 88 HE21 GLN 88 -0.044 -13.565 -5.002 700 HE22 GLN 88 HE22 GLN 88 -0.049 -13.690 -3.276 701 H GLN 89 H GLN 89 -0.413 -12.984 -7.719 702 HA GLN 89 HA GLN 89 -1.282 -13.682 -10.468 703 HB2 GLN 89 HB2 GLN 89 0.956 -11.906 -9.540 704 HB3 GLN 89 HB3 GLN 89 0.805 -12.455 -11.204 705 HG2 GLN 89 HG2 GLN 89 -1.242 -10.851 -9.697 706 HG3 GLN 89 HG3 GLN 89 -0.092 -10.211 -10.871 707 HE21 GLN 89 HE21 GLN 89 -2.967 -12.069 -10.409 708 HE22 GLN 89 HE22 GLN 89 -3.456 -12.114 -12.065 709 H GLN 90 H GLN 90 -0.070 -15.333 -8.105 710 HA GLN 90 HA GLN 90 2.136 -16.478 -9.660 711 HB2 GLN 90 HB2 GLN 90 2.923 -17.511 -7.538 712 HB3 GLN 90 HB3 GLN 90 2.959 -15.765 -7.534 713 HG2 GLN 90 HG2 GLN 90 2.144 -16.246 -5.437 714 HG3 GLN 90 HG3 GLN 90 0.674 -15.954 -6.350 715 HE21 GLN 90 HE21 GLN 90 2.608 -18.863 -6.574 716 HE22 GLN 90 HE22 GLN 90 1.431 -19.910 -5.851 717 H THR 91 H THR 91 2.354 -18.741 -9.809 718 HA THR 91 HA THR 91 0.090 -20.367 -9.022 719 HB THR 91 HB THR 91 0.928 -20.187 -11.929 720 HG1 THR 91 HG1 THR 91 -0.999 -18.878 -10.418 721 HG21 THR 91 HG21 THR 91 -1.315 -21.708 -10.582 722 HG22 THR 91 HG22 THR 91 0.159 -22.418 -11.238 723 HG23 THR 91 HG23 THR 91 -1.004 -21.652 -12.316 724 H GLY 92 H GLY 92 1.368 -21.625 -7.784 725 HA2 GLY 92 HA2 GLY 92 2.869 -23.683 -8.997 726 HA3 GLY 92 HA3 GLY 92 3.956 -22.488 -8.298 727 H GLY 93 H GLY 93 1.199 -24.550 -7.543 728 HA2 GLY 93 HA2 GLY 93 1.129 -25.971 -5.642 729 HA3 GLY 93 HA3 GLY 93 2.313 -24.931 -4.859 Start of MODEL 15 1 H MET 1 H MET 1 7.969 26.178 -22.925 2 HA MET 1 HA MET 1 9.045 23.441 -22.731 3 HB2 MET 1 HB2 MET 1 8.425 23.968 -25.001 4 HB3 MET 1 HB3 MET 1 9.206 25.537 -24.896 5 HG2 MET 1 HG2 MET 1 11.374 24.511 -24.784 6 HG3 MET 1 HG3 MET 1 10.653 22.909 -24.720 7 HE1 MET 1 HE1 MET 1 10.469 25.672 -28.419 8 HE2 MET 1 HE2 MET 1 11.198 26.126 -26.878 9 HE3 MET 1 HE3 MET 1 9.450 25.918 -27.001 10 H ALA 2 H ALA 2 10.314 26.679 -23.560 11 HA ALA 2 HA ALA 2 12.721 26.062 -22.052 12 HB1 ALA 2 HB1 ALA 2 12.090 28.489 -23.724 13 HB2 ALA 2 HB2 ALA 2 12.884 27.027 -24.309 14 HB3 ALA 2 HB3 ALA 2 13.672 28.030 -23.090 15 H ASP 3 H ASP 3 9.913 27.018 -20.976 16 HA ASP 3 HA ASP 3 10.712 29.358 -19.450 17 HB2 ASP 3 HB2 ASP 3 8.356 28.951 -20.380 18 HB3 ASP 3 HB3 ASP 3 8.170 27.784 -19.074 19 H GLU 4 H GLU 4 12.317 27.222 -19.011 20 HA GLU 4 HA GLU 4 11.753 25.536 -16.859 21 HB2 GLU 4 HB2 GLU 4 14.446 26.741 -17.458 22 HB3 GLU 4 HB3 GLU 4 14.109 25.183 -16.721 23 HG2 GLU 4 HG2 GLU 4 13.255 24.333 -18.801 24 HG3 GLU 4 HG3 GLU 4 13.427 25.916 -19.558 25 H LYS 5 H LYS 5 11.205 26.117 -14.853 26 HA LYS 5 HA LYS 5 11.754 28.751 -13.870 27 HB2 LYS 5 HB2 LYS 5 10.533 26.399 -12.412 28 HB3 LYS 5 HB3 LYS 5 10.474 28.084 -11.910 29 HG2 LYS 5 HG2 LYS 5 9.180 26.896 -14.355 30 HG3 LYS 5 HG3 LYS 5 8.363 27.435 -12.887 31 HD2 LYS 5 HD2 LYS 5 9.996 29.252 -14.662 32 HD3 LYS 5 HD3 LYS 5 8.257 29.032 -14.828 33 HE2 LYS 5 HE2 LYS 5 9.613 29.969 -12.304 34 HE3 LYS 5 HE3 LYS 5 8.918 31.045 -13.514 35 HZ1 LYS 5 HZ1 LYS 5 7.427 28.977 -11.988 36 HZ2 LYS 5 HZ2 LYS 5 6.770 30.020 -13.139 37 HZ3 LYS 5 HZ3 LYS 5 7.384 30.641 -11.695 38 HA PRO 6 HA PRO 6 15.657 27.856 -12.139 39 HB2 PRO 6 HB2 PRO 6 15.720 29.885 -10.310 40 HB3 PRO 6 HB3 PRO 6 16.146 30.054 -12.003 41 HG2 PRO 6 HG2 PRO 6 13.667 30.833 -10.584 42 HG3 PRO 6 HG3 PRO 6 14.430 31.586 -11.994 43 HD2 PRO 6 HD2 PRO 6 12.200 29.996 -12.107 44 HD3 PRO 6 HD3 PRO 6 13.318 30.215 -13.461 45 H LYS 7 H LYS 7 16.376 26.671 -10.640 46 HA LYS 7 HA LYS 7 15.838 25.142 -8.819 47 HB2 LYS 7 HB2 LYS 7 17.476 26.133 -7.044 48 HB3 LYS 7 HB3 LYS 7 18.048 25.589 -8.607 49 HG2 LYS 7 HG2 LYS 7 19.170 27.611 -8.230 50 HG3 LYS 7 HG3 LYS 7 17.870 28.034 -9.339 51 HD2 LYS 7 HD2 LYS 7 16.588 29.004 -7.596 52 HD3 LYS 7 HD3 LYS 7 17.659 28.345 -6.356 53 HE2 LYS 7 HE2 LYS 7 18.061 30.728 -6.678 54 HE3 LYS 7 HE3 LYS 7 19.467 29.784 -7.160 55 HZ1 LYS 7 HZ1 LYS 7 19.024 31.518 -8.755 56 HZ2 LYS 7 HZ2 LYS 7 17.449 30.973 -8.991 57 HZ3 LYS 7 HZ3 LYS 7 18.757 30.019 -9.472 58 H GLU 8 H GLU 8 15.031 28.483 -7.798 59 HA GLU 8 HA GLU 8 13.767 27.405 -5.389 60 HB2 GLU 8 HB2 GLU 8 13.838 30.216 -6.466 61 HB3 GLU 8 HB3 GLU 8 13.181 29.735 -4.911 62 HG2 GLU 8 HG2 GLU 8 15.334 29.124 -4.108 63 HG3 GLU 8 HG3 GLU 8 16.048 29.340 -5.704 64 H GLY 9 H GLY 9 12.619 26.220 -7.400 65 HA2 GLY 9 HA2 GLY 9 9.934 27.371 -7.462 66 HA3 GLY 9 HA3 GLY 9 10.703 27.029 -9.006 67 H VAL 10 H VAL 10 9.951 25.478 -5.914 68 HA VAL 10 HA VAL 10 9.398 23.007 -7.406 69 HB VAL 10 HB VAL 10 11.299 22.905 -5.737 70 HG11 VAL 10 HG11 VAL 10 9.100 23.257 -3.716 71 HG12 VAL 10 HG12 VAL 10 10.437 24.362 -4.029 72 HG13 VAL 10 HG13 VAL 10 10.754 22.766 -3.350 73 HG21 VAL 10 HG21 VAL 10 10.201 20.861 -6.440 74 HG22 VAL 10 HG22 VAL 10 8.953 21.081 -5.214 75 HG23 VAL 10 HG23 VAL 10 10.616 20.759 -4.728 76 H LYS 11 H LYS 11 7.776 25.344 -6.830 77 HA LYS 11 HA LYS 11 5.801 24.543 -4.935 78 HB2 LYS 11 HB2 LYS 11 5.868 26.777 -6.941 79 HB3 LYS 11 HB3 LYS 11 4.435 26.444 -5.978 80 HG2 LYS 11 HG2 LYS 11 7.166 27.155 -4.925 81 HG3 LYS 11 HG3 LYS 11 5.743 28.201 -4.957 82 HD2 LYS 11 HD2 LYS 11 4.567 26.578 -3.498 83 HD3 LYS 11 HD3 LYS 11 6.048 25.627 -3.409 84 HE2 LYS 11 HE2 LYS 11 5.717 28.469 -2.482 85 HE3 LYS 11 HE3 LYS 11 5.752 27.039 -1.452 86 HZ1 LYS 11 HZ1 LYS 11 7.895 28.187 -1.518 87 HZ2 LYS 11 HZ2 LYS 11 7.987 27.944 -3.184 88 HZ3 LYS 11 HZ3 LYS 11 8.016 26.618 -2.140 89 H THR 12 H THR 12 5.235 22.548 -5.544 90 HA THR 12 HA THR 12 3.155 22.486 -7.625 91 HB THR 12 HB THR 12 5.207 21.467 -8.525 92 HG1 THR 12 HG1 THR 12 2.824 20.055 -8.159 93 HG21 THR 12 HG21 THR 12 4.875 19.462 -6.292 94 HG22 THR 12 HG22 THR 12 6.195 20.617 -6.467 95 HG23 THR 12 HG23 THR 12 6.007 19.309 -7.636 96 H GLU 13 H GLU 13 3.733 22.298 -4.517 97 HA GLU 13 HA GLU 13 1.459 20.668 -3.894 98 HB2 GLU 13 HB2 GLU 13 4.219 19.814 -3.005 99 HB3 GLU 13 HB3 GLU 13 2.751 19.316 -2.180 100 HG2 GLU 13 HG2 GLU 13 1.974 18.196 -4.182 101 HG3 GLU 13 HG3 GLU 13 3.400 18.744 -5.060 102 H ASN 14 H ASN 14 0.868 20.853 -1.624 103 HA ASN 14 HA ASN 14 2.159 23.073 -0.182 104 HB2 ASN 14 HB2 ASN 14 -0.843 22.744 -0.404 105 HB3 ASN 14 HB3 ASN 14 0.041 24.110 0.262 106 HD21 ASN 14 HD21 ASN 14 -0.893 22.436 -2.638 107 HD22 ASN 14 HD22 ASN 14 -0.603 23.749 -3.741 108 H ASN 15 H ASN 15 2.614 20.397 0.334 109 HA ASN 15 HA ASN 15 2.643 18.869 2.018 110 HB2 ASN 15 HB2 ASN 15 2.589 19.944 4.024 111 HB3 ASN 15 HB3 ASN 15 1.655 21.254 3.328 112 HD21 ASN 15 HD21 ASN 15 -0.635 21.130 3.446 113 HD22 ASN 15 HD22 ASN 15 -1.413 20.202 4.684 114 H ASP 16 H ASP 16 0.651 19.156 -0.120 115 HA ASP 16 HA ASP 16 -1.877 18.129 0.751 116 HB2 ASP 16 HB2 ASP 16 -0.717 18.210 -2.047 117 HB3 ASP 16 HB3 ASP 16 -2.391 17.852 -1.647 118 H HIS 17 H HIS 17 -1.553 16.254 1.859 119 HA HIS 17 HA HIS 17 -0.578 13.991 0.257 120 HB2 HIS 17 HB2 HIS 17 0.254 12.929 2.289 121 HB3 HIS 17 HB3 HIS 17 0.978 14.519 2.108 122 HD1 HIS 17 HD1 HIS 17 0.026 16.418 3.743 123 HD2 HIS 17 HD2 HIS 17 -1.101 12.505 4.649 124 HE1 HIS 17 HE1 HIS 17 -0.791 16.474 6.113 125 HE2 HIS 17 HE2 HIS 17 -1.217 14.068 6.703 126 H ILE 18 H ILE 18 -1.577 11.951 0.665 127 HA ILE 18 HA ILE 18 -4.239 12.178 1.882 128 HB ILE 18 HB ILE 18 -5.151 10.735 0.051 129 HG12 ILE 18 HG12 ILE 18 -2.645 11.507 -1.453 130 HG13 ILE 18 HG13 ILE 18 -2.889 9.927 -0.717 131 HG21 ILE 18 HG21 ILE 18 -5.396 12.554 -1.583 132 HG22 ILE 18 HG22 ILE 18 -4.084 13.429 -0.795 133 HG23 ILE 18 HG23 ILE 18 -5.590 13.127 0.074 134 HD11 ILE 18 HD11 ILE 18 -4.556 11.146 -2.908 135 HD12 ILE 18 HD12 ILE 18 -4.843 9.576 -2.151 136 HD13 ILE 18 HD13 ILE 18 -3.373 9.849 -3.082 137 H ASN 19 H ASN 19 -5.240 9.950 2.084 138 HA ASN 19 HA ASN 19 -3.211 8.090 3.110 139 HB2 ASN 19 HB2 ASN 19 -4.790 8.808 4.812 140 HB3 ASN 19 HB3 ASN 19 -6.151 8.435 3.764 141 HD21 ASN 19 HD21 ASN 19 -3.806 7.178 5.947 142 HD22 ASN 19 HD22 ASN 19 -4.425 5.571 6.023 143 H LEU 20 H LEU 20 -3.064 6.081 2.280 144 HA LEU 20 HA LEU 20 -5.175 5.240 0.425 145 HB2 LEU 20 HB2 LEU 20 -2.194 5.009 0.018 146 HB3 LEU 20 HB3 LEU 20 -3.344 4.033 -0.870 147 HG LEU 20 HG LEU 20 -2.773 5.767 -2.333 148 HD11 LEU 20 HD11 LEU 20 -5.178 5.384 -2.193 149 HD12 LEU 20 HD12 LEU 20 -4.781 7.033 -2.669 150 HD13 LEU 20 HD13 LEU 20 -5.312 6.698 -1.022 151 HD21 LEU 20 HD21 LEU 20 -3.184 7.724 -0.086 152 HD22 LEU 20 HD22 LEU 20 -2.728 8.117 -1.746 153 HD23 LEU 20 HD23 LEU 20 -1.631 7.188 -0.727 154 H LYS 21 H LYS 21 -5.868 3.208 0.653 155 HA LYS 21 HA LYS 21 -4.395 1.532 2.555 156 HB2 LYS 21 HB2 LYS 21 -7.385 1.756 2.209 157 HB3 LYS 21 HB3 LYS 21 -6.567 0.621 3.277 158 HG2 LYS 21 HG2 LYS 21 -5.590 2.545 4.497 159 HG3 LYS 21 HG3 LYS 21 -6.544 3.621 3.479 160 HD2 LYS 21 HD2 LYS 21 -7.717 1.467 5.239 161 HD3 LYS 21 HD3 LYS 21 -7.595 3.170 5.684 162 HE2 LYS 21 HE2 LYS 21 -8.980 3.764 3.760 163 HE3 LYS 21 HE3 LYS 21 -9.111 2.063 3.322 164 HZ1 LYS 21 HZ1 LYS 21 -10.233 1.655 5.423 165 HZ2 LYS 21 HZ2 LYS 21 -11.053 2.823 4.518 166 HZ3 LYS 21 HZ3 LYS 21 -10.105 3.290 5.832 167 H VAL 22 H VAL 22 -4.388 -0.657 2.127 168 HA VAL 22 HA VAL 22 -5.185 -1.367 -0.610 169 HB VAL 22 HB VAL 22 -2.792 -1.041 -0.626 170 HG11 VAL 22 HG11 VAL 22 -1.278 -1.991 0.847 171 HG12 VAL 22 HG12 VAL 22 -2.525 -2.995 1.591 172 HG13 VAL 22 HG13 VAL 22 -2.550 -1.246 1.819 173 HG21 VAL 22 HG21 VAL 22 -3.569 -2.925 -1.912 174 HG22 VAL 22 HG22 VAL 22 -3.438 -3.965 -0.493 175 HG23 VAL 22 HG23 VAL 22 -1.988 -3.265 -1.212 176 H ALA 23 H ALA 23 -6.284 -3.246 -0.830 177 HA ALA 23 HA ALA 23 -6.572 -4.906 1.597 178 HB1 ALA 23 HB1 ALA 23 -8.630 -3.755 0.935 179 HB2 ALA 23 HB2 ALA 23 -8.791 -5.502 0.780 180 HB3 ALA 23 HB3 ALA 23 -8.547 -4.508 -0.655 181 H GLY 24 H GLY 24 -6.070 -7.011 1.464 182 HA2 GLY 24 HA2 GLY 24 -5.150 -8.014 -1.126 183 HA3 GLY 24 HA3 GLY 24 -4.640 -8.616 0.442 184 H GLN 25 H GLN 25 -5.257 -10.476 -1.222 185 HA GLN 25 HA GLN 25 -7.979 -11.173 -1.527 186 HB2 GLN 25 HB2 GLN 25 -5.680 -13.116 -1.496 187 HB3 GLN 25 HB3 GLN 25 -7.194 -13.245 -2.372 188 HG2 GLN 25 HG2 GLN 25 -5.754 -12.674 -4.064 189 HG3 GLN 25 HG3 GLN 25 -6.350 -11.092 -3.556 190 HE21 GLN 25 HE21 GLN 25 -4.961 -9.610 -2.804 191 HE22 GLN 25 HE22 GLN 25 -3.258 -9.867 -2.618 192 H ASP 26 H ASP 26 -5.609 -11.733 0.930 193 HA ASP 26 HA ASP 26 -7.041 -13.828 2.275 194 HB2 ASP 26 HB2 ASP 26 -5.290 -13.763 3.886 195 HB3 ASP 26 HB3 ASP 26 -4.537 -13.481 2.318 196 H GLY 27 H GLY 27 -7.427 -10.492 2.094 197 HA2 GLY 27 HA2 GLY 27 -9.247 -9.402 3.154 198 HA3 GLY 27 HA3 GLY 27 -9.145 -10.565 4.464 199 H SER 28 H SER 28 -6.045 -9.511 3.662 200 HA SER 28 HA SER 28 -5.926 -7.936 6.060 201 HB2 SER 28 HB2 SER 28 -4.149 -9.577 5.365 202 HB3 SER 28 HB3 SER 28 -3.762 -8.504 4.023 203 HG SER 28 HG SER 28 -2.396 -7.869 5.545 204 H VAL 29 H VAL 29 -5.121 -5.762 6.095 205 HA VAL 29 HA VAL 29 -5.096 -4.315 3.593 206 HB VAL 29 HB VAL 29 -7.398 -4.067 4.047 207 HG11 VAL 29 HG11 VAL 29 -7.456 -4.883 6.298 208 HG12 VAL 29 HG12 VAL 29 -8.307 -3.340 6.197 209 HG13 VAL 29 HG13 VAL 29 -6.682 -3.413 6.890 210 HG21 VAL 29 HG21 VAL 29 -7.681 -1.674 4.553 211 HG22 VAL 29 HG22 VAL 29 -6.355 -1.966 3.430 212 HG23 VAL 29 HG23 VAL 29 -6.012 -1.614 5.123 213 H VAL 30 H VAL 30 -3.679 -2.697 3.578 214 HA VAL 30 HA VAL 30 -2.466 -1.963 6.154 215 HB VAL 30 HB VAL 30 -1.011 -1.812 3.525 216 HG11 VAL 30 HG11 VAL 30 -0.048 -1.932 6.378 217 HG12 VAL 30 HG12 VAL 30 -0.138 -0.485 5.377 218 HG13 VAL 30 HG13 VAL 30 0.969 -1.787 4.946 219 HG21 VAL 30 HG21 VAL 30 -1.663 -4.131 3.831 220 HG22 VAL 30 HG22 VAL 30 -0.999 -4.122 5.468 221 HG23 VAL 30 HG23 VAL 30 0.072 -3.940 4.075 222 H GLN 31 H GLN 31 -2.350 0.198 6.619 223 HA GLN 31 HA GLN 31 -3.431 2.019 4.588 224 HB2 GLN 31 HB2 GLN 31 -3.171 2.502 7.565 225 HB3 GLN 31 HB3 GLN 31 -4.031 3.507 6.417 226 HG2 GLN 31 HG2 GLN 31 -5.788 2.391 7.363 227 HG3 GLN 31 HG3 GLN 31 -5.414 1.305 6.028 228 HE21 GLN 31 HE21 GLN 31 -4.668 -0.718 6.443 229 HE22 GLN 31 HE22 GLN 31 -4.551 -1.396 8.022 230 H PHE 32 H PHE 32 -2.365 3.923 3.998 231 HA PHE 32 HA PHE 32 0.276 4.422 5.209 232 HB2 PHE 32 HB2 PHE 32 -0.153 4.516 2.221 233 HB3 PHE 32 HB3 PHE 32 1.365 4.591 3.099 234 HD1 PHE 32 HD1 PHE 32 -1.397 2.399 2.071 235 HD2 PHE 32 HD2 PHE 32 2.534 2.611 3.692 236 HE1 PHE 32 HE1 PHE 32 -1.135 0.001 1.738 237 HE2 PHE 32 HE2 PHE 32 2.795 0.184 3.362 238 HZ PHE 32 HZ PHE 32 0.945 -1.122 2.382 239 HH31 ALY 33 HH31 ALY 33 -4.986 12.349 4.192 240 HH32 ALY 33 HH32 ALY 33 -5.438 13.746 5.190 241 HH33 ALY 33 HH33 ALY 33 -6.150 12.147 5.492 242 HZ ALY 33 HZ ALY 33 -4.548 10.450 6.382 243 HE3 ALY 33 HE3 ALY 33 -1.752 11.189 6.025 244 HE2 ALY 33 HE2 ALY 33 -2.311 10.804 7.652 245 HD3 ALY 33 HD3 ALY 33 -3.073 8.606 6.831 246 HD2 ALY 33 HD2 ALY 33 -2.409 9.019 5.246 247 HG3 ALY 33 HG3 ALY 33 -0.702 9.051 7.713 248 HG2 ALY 33 HG2 ALY 33 -0.980 7.565 6.800 249 HB3 ALY 33 HB3 ALY 33 0.086 10.111 5.605 250 HB2 ALY 33 HB2 ALY 33 1.101 8.806 6.196 251 HCA ALY 33 HCA ALY 33 -0.926 8.533 3.953 252 H ALY 33 H ALY 33 1.071 6.564 4.864 253 H ILE 34 H ILE 34 -0.178 9.135 1.972 254 HA ILE 34 HA ILE 34 2.665 9.877 1.799 255 HB ILE 34 HB ILE 34 2.868 8.929 -0.426 256 HG12 ILE 34 HG12 ILE 34 0.061 7.872 -0.054 257 HG13 ILE 34 HG13 ILE 34 0.489 9.224 -1.095 258 HG21 ILE 34 HG21 ILE 34 3.431 7.478 1.446 259 HG22 ILE 34 HG22 ILE 34 2.748 6.535 0.120 260 HG23 ILE 34 HG23 ILE 34 1.758 6.920 1.530 261 HD11 ILE 34 HD11 ILE 34 0.186 7.180 -2.375 262 HD12 ILE 34 HD12 ILE 34 1.432 6.381 -1.415 263 HD13 ILE 34 HD13 ILE 34 1.858 7.732 -2.462 264 H LYS 35 H LYS 35 3.126 11.256 -0.114 265 HA LYS 35 HA LYS 35 1.244 13.400 -0.266 266 HB2 LYS 35 HB2 LYS 35 3.871 12.882 -1.658 267 HB3 LYS 35 HB3 LYS 35 2.936 14.352 -1.867 268 HG2 LYS 35 HG2 LYS 35 3.510 15.172 0.164 269 HG3 LYS 35 HG3 LYS 35 3.591 13.574 0.909 270 HD2 LYS 35 HD2 LYS 35 5.808 14.658 0.742 271 HD3 LYS 35 HD3 LYS 35 5.718 13.141 -0.150 272 HE2 LYS 35 HE2 LYS 35 6.909 14.814 -1.445 273 HE3 LYS 35 HE3 LYS 35 5.393 14.394 -2.234 274 HZ1 LYS 35 HZ1 LYS 35 5.815 16.769 -2.247 275 HZ2 LYS 35 HZ2 LYS 35 5.818 16.804 -0.553 276 HZ3 LYS 35 HZ3 LYS 35 4.408 16.394 -1.404 277 H ARG 36 H ARG 36 0.285 14.188 -2.214 278 HA ARG 36 HA ARG 36 -0.916 12.192 -3.827 279 HB2 ARG 36 HB2 ARG 36 -1.852 14.081 -5.067 280 HB3 ARG 36 HB3 ARG 36 -2.011 14.305 -3.334 281 HG2 ARG 36 HG2 ARG 36 -0.311 15.923 -3.269 282 HG3 ARG 36 HG3 ARG 36 0.279 15.481 -4.873 283 HD2 ARG 36 HD2 ARG 36 -1.893 16.215 -5.769 284 HD3 ARG 36 HD3 ARG 36 -2.290 16.879 -4.181 285 HE ARG 36 HE ARG 36 0.177 17.739 -5.511 286 HH11 ARG 36 HH11 ARG 36 -3.091 18.531 -4.489 287 HH12 ARG 36 HH12 ARG 36 -2.860 20.235 -4.641 288 HH21 ARG 36 HH21 ARG 36 0.482 20.005 -5.727 289 HH22 ARG 36 HH22 ARG 36 -0.819 21.077 -5.347 290 H HIS 37 H HIS 37 2.022 13.939 -4.037 291 HA HIS 37 HA HIS 37 2.304 13.441 -6.913 292 HB2 HIS 37 HB2 HIS 37 2.528 15.741 -6.089 293 HB3 HIS 37 HB3 HIS 37 3.797 15.224 -5.002 294 HD1 HIS 37 HD1 HIS 37 5.818 16.333 -5.867 295 HD2 HIS 37 HD2 HIS 37 3.594 14.584 -8.910 296 HE1 HIS 37 HE1 HIS 37 7.192 16.624 -7.960 297 HE2 HIS 37 HE2 HIS 37 5.895 15.401 -9.749 298 H THR 38 H THR 38 2.863 12.008 -4.111 299 HA THR 38 HA THR 38 5.554 11.072 -4.576 300 HB THR 38 HB THR 38 3.545 10.958 -2.401 301 HG1 THR 38 HG1 THR 38 6.200 11.120 -1.753 302 HG21 THR 38 HG21 THR 38 5.821 8.976 -2.592 303 HG22 THR 38 HG22 THR 38 4.098 8.595 -2.661 304 HG23 THR 38 HG23 THR 38 4.802 9.236 -1.174 305 HA PRO 39 HA PRO 39 4.152 7.646 -7.013 306 HB2 PRO 39 HB2 PRO 39 6.262 5.937 -6.517 307 HB3 PRO 39 HB3 PRO 39 6.289 7.237 -7.713 308 HG2 PRO 39 HG2 PRO 39 7.402 7.185 -4.944 309 HG3 PRO 39 HG3 PRO 39 8.077 7.911 -6.413 310 HD2 PRO 39 HD2 PRO 39 6.866 9.372 -4.504 311 HD3 PRO 39 HD3 PRO 39 6.773 9.807 -6.225 312 H LEU 40 H LEU 40 2.641 6.227 -6.489 313 HA LEU 40 HA LEU 40 2.215 5.352 -3.842 314 HB2 LEU 40 HB2 LEU 40 0.487 3.808 -4.966 315 HB3 LEU 40 HB3 LEU 40 0.246 5.537 -5.030 316 HG LEU 40 HG LEU 40 1.169 5.516 -7.361 317 HD11 LEU 40 HD11 LEU 40 1.276 3.392 -8.554 318 HD12 LEU 40 HD12 LEU 40 0.973 2.529 -7.045 319 HD13 LEU 40 HD13 LEU 40 2.456 3.459 -7.246 320 HD21 LEU 40 HD21 LEU 40 -1.245 3.794 -6.843 321 HD22 LEU 40 HD22 LEU 40 -0.851 4.586 -8.370 322 HD23 LEU 40 HD23 LEU 40 -1.221 5.555 -6.941 323 H SER 41 H SER 41 4.207 4.135 -6.288 324 HA SER 41 HA SER 41 4.212 1.401 -5.864 325 HB2 SER 41 HB2 SER 41 6.671 1.617 -6.575 326 HB3 SER 41 HB3 SER 41 5.434 2.191 -7.694 327 HG SER 41 HG SER 41 6.834 3.833 -7.605 328 H LYS 42 H LYS 42 5.507 3.959 -3.930 329 HA LYS 42 HA LYS 42 7.346 2.500 -2.388 330 HB2 LYS 42 HB2 LYS 42 5.684 4.884 -1.539 331 HB3 LYS 42 HB3 LYS 42 7.146 4.309 -0.749 332 HG2 LYS 42 HG2 LYS 42 8.438 4.820 -2.763 333 HG3 LYS 42 HG3 LYS 42 6.974 5.393 -3.557 334 HD2 LYS 42 HD2 LYS 42 8.191 7.301 -2.750 335 HD3 LYS 42 HD3 LYS 42 6.749 7.104 -1.752 336 HE2 LYS 42 HE2 LYS 42 8.034 6.117 0.013 337 HE3 LYS 42 HE3 LYS 42 9.474 6.066 -1.002 338 HZ1 LYS 42 HZ1 LYS 42 9.574 7.908 0.536 339 HZ2 LYS 42 HZ2 LYS 42 8.107 8.519 -0.034 340 HZ3 LYS 42 HZ3 LYS 42 9.459 8.488 -1.047 341 H LEU 43 H LEU 43 3.901 3.173 -1.908 342 HA LEU 43 HA LEU 43 3.737 1.621 0.484 343 HB2 LEU 43 HB2 LEU 43 1.457 2.111 0.558 344 HB3 LEU 43 HB3 LEU 43 2.140 3.504 -0.243 345 HG LEU 43 HG LEU 43 1.435 2.236 -2.432 346 HD11 LEU 43 HD11 LEU 43 -0.461 1.029 -0.415 347 HD12 LEU 43 HD12 LEU 43 0.755 0.152 -1.342 348 HD13 LEU 43 HD13 LEU 43 -0.604 0.910 -2.170 349 HD21 LEU 43 HD21 LEU 43 0.537 4.384 -1.696 350 HD22 LEU 43 HD22 LEU 43 -0.573 3.539 -0.612 351 HD23 LEU 43 HD23 LEU 43 -0.732 3.350 -2.357 352 H MET 44 H MET 44 3.197 0.988 -2.922 353 HA MET 44 HA MET 44 1.919 -1.501 -2.616 354 HB2 MET 44 HB2 MET 44 3.610 -0.557 -4.941 355 HB3 MET 44 HB3 MET 44 2.510 -1.926 -4.965 356 HG2 MET 44 HG2 MET 44 0.698 -0.227 -4.332 357 HG3 MET 44 HG3 MET 44 1.867 0.992 -4.833 358 HE1 MET 44 HE1 MET 44 2.451 -0.143 -8.612 359 HE2 MET 44 HE2 MET 44 3.343 -0.712 -7.199 360 HE3 MET 44 HE3 MET 44 2.950 0.999 -7.366 361 H LYS 45 H LYS 45 5.346 -0.720 -3.203 362 HA LYS 45 HA LYS 45 6.190 -3.399 -3.071 363 HB2 LYS 45 HB2 LYS 45 7.689 -0.821 -2.691 364 HB3 LYS 45 HB3 LYS 45 8.464 -2.403 -2.701 365 HG2 LYS 45 HG2 LYS 45 7.440 -2.782 -4.952 366 HG3 LYS 45 HG3 LYS 45 6.945 -1.094 -4.933 367 HD2 LYS 45 HD2 LYS 45 9.226 -0.365 -4.822 368 HD3 LYS 45 HD3 LYS 45 9.790 -2.029 -4.630 369 HE2 LYS 45 HE2 LYS 45 9.018 -2.599 -6.831 370 HE3 LYS 45 HE3 LYS 45 8.293 -1.007 -7.032 371 HZ1 LYS 45 HZ1 LYS 45 10.505 -0.018 -6.914 372 HZ2 LYS 45 HZ2 LYS 45 10.422 -1.133 -8.175 373 HZ3 LYS 45 HZ3 LYS 45 11.207 -1.545 -6.735 374 H ALA 46 H ALA 46 5.747 -0.909 -0.627 375 HA ALA 46 HA ALA 46 7.056 -2.269 1.479 376 HB1 ALA 46 HB1 ALA 46 5.837 -0.759 2.967 377 HB2 ALA 46 HB2 ALA 46 4.789 -0.278 1.634 378 HB3 ALA 46 HB3 ALA 46 6.507 0.120 1.591 379 H TYR 47 H TYR 47 3.756 -2.331 0.214 380 HA TYR 47 HA TYR 47 2.530 -3.862 2.172 381 HB2 TYR 47 HB2 TYR 47 1.233 -2.766 0.464 382 HB3 TYR 47 HB3 TYR 47 2.039 -3.680 -0.803 383 HD1 TYR 47 HD1 TYR 47 -0.497 -3.789 1.825 384 HD2 TYR 47 HD2 TYR 47 1.419 -5.996 -1.251 385 HE1 TYR 47 HE1 TYR 47 -2.278 -5.469 1.943 386 HE2 TYR 47 HE2 TYR 47 -0.361 -7.695 -1.163 387 HH TYR 47 HH TYR 47 -2.026 -8.503 0.663 388 H CYS 48 H CYS 48 4.066 -4.958 -0.884 389 HA CYS 48 HA CYS 48 3.586 -7.673 -0.326 390 HB2 CYS 48 HB2 CYS 48 5.183 -8.115 -2.182 391 HB3 CYS 48 HB3 CYS 48 3.909 -6.980 -2.605 392 HG CYS 48 HG CYS 48 6.489 -5.259 -1.531 393 H GLU 49 H GLU 49 6.288 -5.541 0.408 394 HA GLU 49 HA GLU 49 8.078 -7.574 1.204 395 HB2 GLU 49 HB2 GLU 49 7.932 -4.646 1.924 396 HB3 GLU 49 HB3 GLU 49 9.258 -5.704 2.399 397 HG2 GLU 49 HG2 GLU 49 9.767 -6.117 0.053 398 HG3 GLU 49 HG3 GLU 49 8.423 -5.081 -0.424 399 H ARG 50 H ARG 50 5.661 -5.682 2.998 400 HA ARG 50 HA ARG 50 6.448 -6.880 5.507 401 HB2 ARG 50 HB2 ARG 50 4.698 -5.558 6.527 402 HB3 ARG 50 HB3 ARG 50 5.586 -4.550 5.396 403 HG2 ARG 50 HG2 ARG 50 3.801 -4.767 3.762 404 HG3 ARG 50 HG3 ARG 50 2.922 -5.850 4.840 405 HD2 ARG 50 HD2 ARG 50 3.579 -2.946 5.391 406 HD3 ARG 50 HD3 ARG 50 2.022 -3.584 4.898 407 HE ARG 50 HE ARG 50 2.450 -4.999 7.117 408 HH11 ARG 50 HH11 ARG 50 2.884 -1.547 6.563 409 HH12 ARG 50 HH12 ARG 50 2.379 -1.106 8.153 410 HH21 ARG 50 HH21 ARG 50 1.773 -4.392 9.216 411 HH22 ARG 50 HH22 ARG 50 1.761 -2.720 9.668 412 H GLN 51 H GLN 51 3.969 -7.434 3.085 413 HA GLN 51 HA GLN 51 2.437 -9.190 4.777 414 HB2 GLN 51 HB2 GLN 51 2.262 -8.530 1.852 415 HB3 GLN 51 HB3 GLN 51 1.158 -9.633 2.675 416 HG2 GLN 51 HG2 GLN 51 1.618 -6.778 3.422 417 HG3 GLN 51 HG3 GLN 51 0.300 -7.355 2.404 418 HE21 GLN 51 HE21 GLN 51 1.636 -7.379 5.642 419 HE22 GLN 51 HE22 GLN 51 0.193 -7.889 6.442 420 H GLY 52 H GLY 52 5.049 -9.542 2.610 421 HA2 GLY 52 HA2 GLY 52 6.360 -11.495 2.420 422 HA3 GLY 52 HA3 GLY 52 5.025 -12.415 3.105 423 H LEU 53 H LEU 53 4.904 -10.152 0.436 424 HA LEU 53 HA LEU 53 4.241 -12.368 -1.380 425 HB2 LEU 53 HB2 LEU 53 2.859 -9.714 -1.070 426 HB3 LEU 53 HB3 LEU 53 2.783 -10.611 -2.571 427 HG LEU 53 HG LEU 53 0.792 -11.010 -1.378 428 HD11 LEU 53 HD11 LEU 53 2.551 -13.430 -1.058 429 HD12 LEU 53 HD12 LEU 53 1.710 -12.946 -2.529 430 HD13 LEU 53 HD13 LEU 53 0.788 -13.424 -1.105 431 HD21 LEU 53 HD21 LEU 53 2.440 -11.878 0.977 432 HD22 LEU 53 HD22 LEU 53 0.678 -11.924 0.865 433 HD23 LEU 53 HD23 LEU 53 1.526 -10.376 0.843 434 H SER 54 H SER 54 4.603 -11.732 -3.718 435 HA SER 54 HA SER 54 6.813 -9.804 -3.881 436 HB2 SER 54 HB2 SER 54 6.334 -12.331 -5.455 437 HB3 SER 54 HB3 SER 54 7.672 -11.222 -5.709 438 HG SER 54 HG SER 54 7.669 -11.788 -3.145 439 H MET 55 H MET 55 6.991 -8.597 -5.879 440 HA MET 55 HA MET 55 4.552 -7.605 -6.867 441 HB2 MET 55 HB2 MET 55 7.417 -7.255 -7.675 442 HB3 MET 55 HB3 MET 55 6.137 -6.648 -8.721 443 HG2 MET 55 HG2 MET 55 6.528 -5.951 -5.832 444 HG3 MET 55 HG3 MET 55 6.978 -4.945 -7.210 445 HE1 MET 55 HE1 MET 55 4.993 -4.440 -4.637 446 HE2 MET 55 HE2 MET 55 3.758 -3.418 -5.372 447 HE3 MET 55 HE3 MET 55 5.465 -3.126 -5.717 448 H ARG 56 H ARG 56 6.533 -10.213 -7.902 449 HA ARG 56 HA ARG 56 5.168 -10.487 -10.435 450 HB2 ARG 56 HB2 ARG 56 6.543 -12.569 -10.692 451 HB3 ARG 56 HB3 ARG 56 7.479 -11.101 -10.504 452 HG2 ARG 56 HG2 ARG 56 6.908 -12.701 -8.069 453 HG3 ARG 56 HG3 ARG 56 8.076 -13.338 -9.225 454 HD2 ARG 56 HD2 ARG 56 8.193 -10.616 -7.914 455 HD3 ARG 56 HD3 ARG 56 9.158 -12.016 -7.463 456 HE ARG 56 HE ARG 56 9.577 -11.550 -10.171 457 HH11 ARG 56 HH11 ARG 56 10.208 -9.924 -7.114 458 HH12 ARG 56 HH12 ARG 56 11.600 -9.094 -7.706 459 HH21 ARG 56 HH21 ARG 56 11.419 -10.437 -10.940 460 HH22 ARG 56 HH22 ARG 56 12.290 -9.382 -9.883 461 H GLN 57 H GLN 57 4.627 -11.329 -7.267 462 HA GLN 57 HA GLN 57 3.081 -13.735 -7.876 463 HB2 GLN 57 HB2 GLN 57 4.347 -12.601 -5.465 464 HB3 GLN 57 HB3 GLN 57 2.819 -13.435 -5.198 465 HG2 GLN 57 HG2 GLN 57 4.726 -14.905 -4.879 466 HG3 GLN 57 HG3 GLN 57 3.727 -15.443 -6.228 467 HE21 GLN 57 HE21 GLN 57 4.510 -15.112 -8.345 468 HE22 GLN 57 HE22 GLN 57 6.200 -14.943 -8.646 469 H ILE 58 H ILE 58 2.627 -10.406 -7.026 470 HA ILE 58 HA ILE 58 -0.269 -10.883 -7.068 471 HB ILE 58 HB ILE 58 -0.675 -9.318 -5.297 472 HG12 ILE 58 HG12 ILE 58 2.315 -8.860 -5.293 473 HG13 ILE 58 HG13 ILE 58 1.062 -7.705 -5.728 474 HG21 ILE 58 HG21 ILE 58 1.520 -11.197 -4.451 475 HG22 ILE 58 HG22 ILE 58 -0.186 -11.613 -4.617 476 HG23 ILE 58 HG23 ILE 58 0.325 -10.453 -3.387 477 HD11 ILE 58 HD11 ILE 58 1.967 -7.233 -3.528 478 HD12 ILE 58 HD12 ILE 58 1.512 -8.846 -2.980 479 HD13 ILE 58 HD13 ILE 58 0.266 -7.683 -3.433 480 H ARG 59 H ARG 59 -1.363 -8.643 -7.177 481 HA ARG 59 HA ARG 59 0.119 -6.700 -8.699 482 HB2 ARG 59 HB2 ARG 59 -1.981 -8.413 -9.944 483 HB3 ARG 59 HB3 ARG 59 -1.892 -6.726 -10.421 484 HG2 ARG 59 HG2 ARG 59 0.319 -8.766 -10.647 485 HG3 ARG 59 HG3 ARG 59 -0.643 -8.105 -11.969 486 HD2 ARG 59 HD2 ARG 59 0.230 -5.846 -11.397 487 HD3 ARG 59 HD3 ARG 59 1.277 -6.589 -10.195 488 HE ARG 59 HE ARG 59 1.500 -7.524 -12.949 489 HH11 ARG 59 HH11 ARG 59 2.867 -5.662 -10.299 490 HH12 ARG 59 HH12 ARG 59 4.422 -5.498 -11.028 491 HH21 ARG 59 HH21 ARG 59 3.576 -7.316 -13.930 492 HH22 ARG 59 HH22 ARG 59 4.822 -6.435 -13.121 493 H PHE 60 H PHE 60 -0.700 -4.707 -8.624 494 HA PHE 60 HA PHE 60 -2.906 -4.308 -6.760 495 HB2 PHE 60 HB2 PHE 60 -0.715 -2.466 -7.732 496 HB3 PHE 60 HB3 PHE 60 -2.001 -1.980 -6.630 497 HD1 PHE 60 HD1 PHE 60 0.778 -4.420 -6.997 498 HD2 PHE 60 HD2 PHE 60 -1.712 -2.224 -4.346 499 HE1 PHE 60 HE1 PHE 60 2.135 -5.182 -5.101 500 HE2 PHE 60 HE2 PHE 60 -0.358 -2.976 -2.441 501 HZ PHE 60 HZ PHE 60 1.570 -4.462 -2.816 502 H ARG 61 H ARG 61 -4.683 -3.185 -7.320 503 HA ARG 61 HA ARG 61 -4.883 -2.064 -10.025 504 HB2 ARG 61 HB2 ARG 61 -5.768 -4.250 -10.228 505 HB3 ARG 61 HB3 ARG 61 -6.695 -4.071 -8.739 506 HG2 ARG 61 HG2 ARG 61 -7.666 -2.013 -10.139 507 HG3 ARG 61 HG3 ARG 61 -7.252 -3.112 -11.456 508 HD2 ARG 61 HD2 ARG 61 -8.559 -4.406 -9.216 509 HD3 ARG 61 HD3 ARG 61 -9.519 -3.139 -9.982 510 HE ARG 61 HE ARG 61 -8.944 -4.369 -12.121 511 HH11 ARG 61 HH11 ARG 61 -9.205 -6.052 -9.033 512 HH12 ARG 61 HH12 ARG 61 -9.746 -7.524 -9.759 513 HH21 ARG 61 HH21 ARG 61 -9.641 -6.354 -13.061 514 HH22 ARG 61 HH22 ARG 61 -10.001 -7.698 -12.035 515 H PHE 62 H PHE 62 -6.391 -0.441 -10.254 516 HA PHE 62 HA PHE 62 -8.113 0.227 -8.079 517 HB2 PHE 62 HB2 PHE 62 -6.072 1.290 -7.374 518 HB3 PHE 62 HB3 PHE 62 -5.916 2.130 -8.917 519 HD1 PHE 62 HD1 PHE 62 -7.710 1.932 -5.757 520 HD2 PHE 62 HD2 PHE 62 -7.288 4.056 -9.409 521 HE1 PHE 62 HE1 PHE 62 -9.057 3.767 -4.845 522 HE2 PHE 62 HE2 PHE 62 -8.635 5.901 -8.504 523 HZ PHE 62 HZ PHE 62 -9.523 5.755 -6.219 524 H ASP 63 H ASP 63 -9.749 1.602 -8.683 525 HA ASP 63 HA ASP 63 -11.384 2.375 -10.111 526 HB2 ASP 63 HB2 ASP 63 -9.224 3.879 -10.575 527 HB3 ASP 63 HB3 ASP 63 -9.370 3.146 -12.157 528 H GLY 64 H GLY 64 -10.249 -0.352 -10.451 529 HA2 GLY 64 HA2 GLY 64 -10.859 -2.106 -11.750 530 HA3 GLY 64 HA3 GLY 64 -11.631 -1.009 -12.879 531 H GLN 65 H GLN 65 -8.552 0.119 -12.437 532 HA GLN 65 HA GLN 65 -7.550 -1.440 -14.721 533 HB2 GLN 65 HB2 GLN 65 -6.214 0.582 -15.296 534 HB3 GLN 65 HB3 GLN 65 -7.948 0.850 -15.397 535 HG2 GLN 65 HG2 GLN 65 -7.917 1.973 -13.251 536 HG3 GLN 65 HG3 GLN 65 -6.192 1.667 -13.091 537 HE21 GLN 65 HE21 GLN 65 -5.680 3.803 -12.950 538 HE22 GLN 65 HE22 GLN 65 -5.782 4.897 -14.276 539 HA PRO 66 HA PRO 66 -4.248 -2.725 -12.101 540 HB2 PRO 66 HB2 PRO 66 -2.282 -3.133 -13.950 541 HB3 PRO 66 HB3 PRO 66 -3.637 -4.243 -13.714 542 HG2 PRO 66 HG2 PRO 66 -3.248 -2.143 -15.803 543 HG3 PRO 66 HG3 PRO 66 -3.942 -3.766 -15.961 544 HD2 PRO 66 HD2 PRO 66 -5.447 -1.505 -15.814 545 HD3 PRO 66 HD3 PRO 66 -6.009 -3.082 -15.228 546 H ILE 67 H ILE 67 -2.615 -1.787 -10.949 547 HA ILE 67 HA ILE 67 -1.876 0.934 -11.710 548 HB ILE 67 HB ILE 67 -1.219 -0.556 -9.158 549 HG12 ILE 67 HG12 ILE 67 -3.522 1.333 -9.700 550 HG13 ILE 67 HG13 ILE 67 -3.656 -0.403 -9.448 551 HG21 ILE 67 HG21 ILE 67 -1.218 2.387 -9.796 552 HG22 ILE 67 HG22 ILE 67 0.205 1.364 -9.602 553 HG23 ILE 67 HG23 ILE 67 -0.857 1.665 -8.227 554 HD11 ILE 67 HD11 ILE 67 -2.760 -0.117 -7.177 555 HD12 ILE 67 HD12 ILE 67 -4.255 0.770 -7.438 556 HD13 ILE 67 HD13 ILE 67 -2.714 1.626 -7.438 557 H ASN 68 H ASN 68 0.260 1.601 -11.961 558 HA ASN 68 HA ASN 68 2.229 -0.563 -12.270 559 HB2 ASN 68 HB2 ASN 68 3.000 2.034 -13.385 560 HB3 ASN 68 HB3 ASN 68 3.051 0.442 -14.124 561 HD21 ASN 68 HD21 ASN 68 1.281 3.357 -13.723 562 HD22 ASN 68 HD22 ASN 68 0.068 3.036 -14.890 563 H GLU 69 H GLU 69 4.383 -0.081 -11.606 564 HA GLU 69 HA GLU 69 4.445 1.225 -9.096 565 HB2 GLU 69 HB2 GLU 69 6.976 0.857 -9.327 566 HB3 GLU 69 HB3 GLU 69 5.932 -0.556 -9.265 567 HG2 GLU 69 HG2 GLU 69 7.578 -0.940 -10.944 568 HG3 GLU 69 HG3 GLU 69 6.045 -0.643 -11.746 569 H THR 70 H THR 70 4.886 2.287 -12.284 570 HA THR 70 HA THR 70 6.247 4.628 -11.392 571 HB THR 70 HB THR 70 6.007 5.132 -13.987 572 HG1 THR 70 HG1 THR 70 6.095 2.302 -13.972 573 HG21 THR 70 HG21 THR 70 8.090 4.774 -12.731 574 HG22 THR 70 HG22 THR 70 8.121 3.919 -14.280 575 HG23 THR 70 HG23 THR 70 7.795 3.032 -12.781 576 H ASP 71 H ASP 71 3.258 3.915 -10.956 577 HA ASP 71 HA ASP 71 1.985 6.201 -12.269 578 HB2 ASP 71 HB2 ASP 71 1.022 3.747 -12.055 579 HB3 ASP 71 HB3 ASP 71 0.519 4.315 -10.469 580 H THR 72 H THR 72 0.877 7.787 -11.055 581 HA THR 72 HA THR 72 1.691 7.982 -8.223 582 HB THR 72 HB THR 72 0.944 10.398 -9.831 583 HG1 THR 72 HG1 THR 72 2.737 8.780 -10.719 584 HG21 THR 72 HG21 THR 72 2.916 9.864 -7.606 585 HG22 THR 72 HG22 THR 72 1.396 10.759 -7.497 586 HG23 THR 72 HG23 THR 72 2.740 11.414 -8.423 587 HA PRO 73 HA PRO 73 -2.584 7.725 -7.002 588 HB2 PRO 73 HB2 PRO 73 -2.544 9.661 -4.995 589 HB3 PRO 73 HB3 PRO 73 -2.073 7.969 -4.794 590 HG2 PRO 73 HG2 PRO 73 -0.361 10.367 -5.334 591 HG3 PRO 73 HG3 PRO 73 -0.078 9.021 -4.204 592 HD2 PRO 73 HD2 PRO 73 1.177 9.142 -6.511 593 HD3 PRO 73 HD3 PRO 73 0.542 7.580 -5.942 594 H ALA 74 H ALA 74 -1.221 10.922 -7.526 595 HA ALA 74 HA ALA 74 -3.665 12.322 -7.616 596 HB1 ALA 74 HB1 ALA 74 -1.557 13.415 -7.151 597 HB2 ALA 74 HB2 ALA 74 -2.323 14.146 -8.569 598 HB3 ALA 74 HB3 ALA 74 -0.976 13.018 -8.765 599 H GLN 75 H GLN 75 -1.930 10.462 -9.965 600 HA GLN 75 HA GLN 75 -3.049 11.591 -12.297 601 HB2 GLN 75 HB2 GLN 75 -1.533 9.140 -11.628 602 HB3 GLN 75 HB3 GLN 75 -2.476 9.099 -13.109 603 HG2 GLN 75 HG2 GLN 75 -0.152 9.759 -13.467 604 HG3 GLN 75 HG3 GLN 75 -1.301 10.992 -13.979 605 HE21 GLN 75 HE21 GLN 75 0.186 12.651 -13.844 606 HE22 GLN 75 HE22 GLN 75 0.787 13.252 -12.341 607 H LEU 76 H LEU 76 -4.060 8.955 -10.193 608 HA LEU 76 HA LEU 76 -6.237 8.252 -11.944 609 HB2 LEU 76 HB2 LEU 76 -5.989 7.355 -9.089 610 HB3 LEU 76 HB3 LEU 76 -6.749 6.529 -10.431 611 HG LEU 76 HG LEU 76 -4.145 6.682 -11.271 612 HD11 LEU 76 HD11 LEU 76 -2.747 5.985 -9.428 613 HD12 LEU 76 HD12 LEU 76 -4.107 6.146 -8.316 614 HD13 LEU 76 HD13 LEU 76 -3.445 7.577 -9.112 615 HD21 LEU 76 HD21 LEU 76 -5.360 4.459 -9.633 616 HD22 LEU 76 HD22 LEU 76 -4.050 4.313 -10.806 617 HD23 LEU 76 HD23 LEU 76 -5.677 4.734 -11.346 618 H GLU 77 H GLU 77 -5.691 10.668 -9.694 619 HA GLU 77 HA GLU 77 -6.975 12.150 -8.554 620 HB2 GLU 77 HB2 GLU 77 -8.885 11.379 -10.769 621 HB3 GLU 77 HB3 GLU 77 -9.194 12.698 -9.645 622 HG2 GLU 77 HG2 GLU 77 -7.265 13.892 -10.418 623 HG3 GLU 77 HG3 GLU 77 -6.758 12.525 -11.403 624 H MET 78 H MET 78 -6.795 9.843 -7.330 625 HA MET 78 HA MET 78 -9.299 8.615 -6.715 626 HB2 MET 78 HB2 MET 78 -7.980 7.226 -5.198 627 HB3 MET 78 HB3 MET 78 -7.215 7.362 -6.776 628 HG2 MET 78 HG2 MET 78 -5.903 9.315 -5.571 629 HG3 MET 78 HG3 MET 78 -6.324 8.376 -4.140 630 HE1 MET 78 HE1 MET 78 -6.401 5.485 -5.918 631 HE2 MET 78 HE2 MET 78 -5.927 5.580 -4.221 632 HE3 MET 78 HE3 MET 78 -4.849 4.830 -5.401 633 H GLU 79 H GLU 79 -8.197 8.485 -3.726 634 HA GLU 79 HA GLU 79 -8.956 10.991 -2.688 635 HB2 GLU 79 HB2 GLU 79 -11.071 10.486 -1.713 636 HB3 GLU 79 HB3 GLU 79 -11.195 10.077 -3.416 637 HG2 GLU 79 HG2 GLU 79 -10.807 7.717 -2.847 638 HG3 GLU 79 HG3 GLU 79 -10.765 8.157 -1.147 639 H ASP 80 H ASP 80 -8.501 11.080 -0.361 640 HA ASP 80 HA ASP 80 -6.853 9.197 0.685 641 HB2 ASP 80 HB2 ASP 80 -7.405 10.266 2.853 642 HB3 ASP 80 HB3 ASP 80 -7.045 11.436 1.584 643 H GLU 81 H GLU 81 -7.083 7.498 1.989 644 HA GLU 81 HA GLU 81 -7.925 5.741 3.087 645 HB2 GLU 81 HB2 GLU 81 -10.513 7.295 3.094 646 HB3 GLU 81 HB3 GLU 81 -10.257 5.779 3.944 647 HG2 GLU 81 HG2 GLU 81 -8.407 6.897 5.200 648 HG3 GLU 81 HG3 GLU 81 -8.900 8.410 4.446 649 H ASP 82 H ASP 82 -8.213 6.322 0.083 650 HA ASP 82 HA ASP 82 -10.374 4.683 -0.759 651 HB2 ASP 82 HB2 ASP 82 -8.844 6.427 -2.077 652 HB3 ASP 82 HB3 ASP 82 -8.015 4.940 -2.536 653 H THR 83 H THR 83 -10.119 2.609 -1.924 654 HA THR 83 HA THR 83 -8.185 0.957 -0.457 655 HB THR 83 HB THR 83 -10.791 0.078 -1.699 656 HG1 THR 83 HG1 THR 83 -10.542 1.578 0.359 657 HG21 THR 83 HG21 THR 83 -9.111 -1.710 -1.449 658 HG22 THR 83 HG22 THR 83 -10.462 -1.936 -0.338 659 HG23 THR 83 HG23 THR 83 -8.929 -1.291 0.255 660 H ILE 84 H ILE 84 -6.660 -0.022 -1.501 661 HA ILE 84 HA ILE 84 -6.625 -0.123 -4.415 662 HB ILE 84 HB ILE 84 -4.517 -1.045 -2.440 663 HG12 ILE 84 HG12 ILE 84 -4.929 1.379 -2.246 664 HG13 ILE 84 HG13 ILE 84 -3.339 1.043 -2.920 665 HG21 ILE 84 HG21 ILE 84 -4.433 -0.632 -5.414 666 HG22 ILE 84 HG22 ILE 84 -4.218 -2.144 -4.522 667 HG23 ILE 84 HG23 ILE 84 -3.007 -0.861 -4.401 668 HD11 ILE 84 HD11 ILE 84 -5.781 1.894 -4.451 669 HD12 ILE 84 HD12 ILE 84 -4.207 1.516 -5.154 670 HD13 ILE 84 HD13 ILE 84 -4.378 2.890 -4.062 671 H ASP 85 H ASP 85 -6.891 -1.964 -5.569 672 HA ASP 85 HA ASP 85 -7.798 -4.323 -4.106 673 HB2 ASP 85 HB2 ASP 85 -9.205 -3.356 -5.910 674 HB3 ASP 85 HB3 ASP 85 -7.905 -3.680 -7.052 675 H VAL 86 H VAL 86 -6.309 -5.836 -3.675 676 HA VAL 86 HA VAL 86 -4.198 -6.281 -5.687 677 HB VAL 86 HB VAL 86 -4.099 -6.891 -2.723 678 HG11 VAL 86 HG11 VAL 86 -2.865 -8.553 -4.053 679 HG12 VAL 86 HG12 VAL 86 -1.776 -7.534 -3.116 680 HG13 VAL 86 HG13 VAL 86 -1.977 -7.251 -4.846 681 HG21 VAL 86 HG21 VAL 86 -3.908 -4.528 -3.238 682 HG22 VAL 86 HG22 VAL 86 -2.615 -4.877 -4.386 683 HG23 VAL 86 HG23 VAL 86 -2.373 -5.180 -2.666 684 H PHE 87 H PHE 87 -3.889 -8.250 -6.494 685 HA PHE 87 HA PHE 87 -5.419 -10.481 -5.426 686 HB2 PHE 87 HB2 PHE 87 -6.041 -11.044 -7.877 687 HB3 PHE 87 HB3 PHE 87 -6.979 -9.822 -7.030 688 HD1 PHE 87 HD1 PHE 87 -4.548 -10.445 -9.667 689 HD2 PHE 87 HD2 PHE 87 -6.835 -7.478 -7.653 690 HE1 PHE 87 HE1 PHE 87 -4.079 -8.850 -11.478 691 HE2 PHE 87 HE2 PHE 87 -6.376 -5.899 -9.455 692 HZ PHE 87 HZ PHE 87 -4.996 -6.571 -11.374 693 H GLN 88 H GLN 88 -4.641 -12.569 -6.169 694 HA GLN 88 HA GLN 88 -1.775 -12.521 -6.388 695 HB2 GLN 88 HB2 GLN 88 -3.148 -14.102 -4.941 696 HB3 GLN 88 HB3 GLN 88 -3.545 -14.952 -6.429 697 HG2 GLN 88 HG2 GLN 88 -1.746 -16.189 -5.914 698 HG3 GLN 88 HG3 GLN 88 -0.865 -14.847 -6.640 699 HE21 GLN 88 HE21 GLN 88 -1.548 -13.087 -4.348 700 HE22 GLN 88 HE22 GLN 88 -0.490 -13.581 -3.076 701 H GLN 89 H GLN 89 -0.897 -12.218 -8.267 702 HA GLN 89 HA GLN 89 -1.968 -13.578 -10.650 703 HB2 GLN 89 HB2 GLN 89 -0.260 -11.130 -10.321 704 HB3 GLN 89 HB3 GLN 89 -0.395 -11.956 -11.868 705 HG2 GLN 89 HG2 GLN 89 -2.701 -10.834 -10.298 706 HG3 GLN 89 HG3 GLN 89 -1.916 -10.035 -11.659 707 HE21 GLN 89 HE21 GLN 89 -4.690 -10.937 -11.340 708 HE22 GLN 89 HE22 GLN 89 -4.997 -12.011 -12.656 709 H GLN 90 H GLN 90 -0.353 -14.894 -8.620 710 HA GLN 90 HA GLN 90 2.308 -15.248 -9.285 711 HB2 GLN 90 HB2 GLN 90 0.947 -16.223 -7.320 712 HB3 GLN 90 HB3 GLN 90 0.528 -17.528 -8.415 713 HG2 GLN 90 HG2 GLN 90 3.370 -16.787 -7.752 714 HG3 GLN 90 HG3 GLN 90 2.441 -17.959 -6.826 715 HE21 GLN 90 HE21 GLN 90 4.898 -18.284 -8.357 716 HE22 GLN 90 HE22 GLN 90 4.587 -19.518 -9.522 717 H THR 91 H THR 91 -0.550 -16.849 -10.647 718 HA THR 91 HA THR 91 1.169 -18.108 -12.658 719 HB THR 91 HB THR 91 -1.765 -18.642 -12.162 720 HG1 THR 91 HG1 THR 91 0.459 -19.350 -10.703 721 HG21 THR 91 HG21 THR 91 -1.260 -20.771 -13.284 722 HG22 THR 91 HG22 THR 91 0.414 -20.263 -13.494 723 HG23 THR 91 HG23 THR 91 -0.879 -19.399 -14.325 724 H GLY 92 H GLY 92 1.020 -17.517 -14.787 725 HA2 GLY 92 HA2 GLY 92 0.497 -16.217 -16.616 726 HA3 GLY 92 HA3 GLY 92 -1.131 -16.123 -15.958 727 H GLY 93 H GLY 93 1.790 -14.963 -14.358 728 HA2 GLY 93 HA2 GLY 93 0.571 -12.306 -14.313 729 HA3 GLY 93 HA3 GLY 93 1.754 -12.915 -13.164 Start of MODEL 16 1 H MET 1 H MET 1 23.139 -2.490 3.993 2 HA MET 1 HA MET 1 23.688 -1.225 2.062 3 HB2 MET 1 HB2 MET 1 21.480 -0.497 1.423 4 HB3 MET 1 HB3 MET 1 21.321 -1.922 2.434 5 HG2 MET 1 HG2 MET 1 20.955 0.906 3.402 6 HG3 MET 1 HG3 MET 1 19.646 -0.157 2.894 7 HE1 MET 1 HE1 MET 1 18.720 -2.155 4.281 8 HE2 MET 1 HE2 MET 1 19.590 -2.898 5.625 9 HE3 MET 1 HE3 MET 1 20.270 -2.945 3.998 10 H ALA 2 H ALA 2 22.856 0.799 4.846 11 HA ALA 2 HA ALA 2 23.821 2.723 5.516 12 HB1 ALA 2 HB1 ALA 2 25.763 2.384 4.042 13 HB2 ALA 2 HB2 ALA 2 25.279 4.078 4.140 14 HB3 ALA 2 HB3 ALA 2 24.865 3.120 2.716 15 H ASP 3 H ASP 3 22.473 4.219 5.984 16 HA ASP 3 HA ASP 3 20.527 5.098 3.957 17 HB2 ASP 3 HB2 ASP 3 20.301 4.942 6.968 18 HB3 ASP 3 HB3 ASP 3 19.112 5.731 5.941 19 H GLU 4 H GLU 4 23.275 6.213 4.410 20 HA GLU 4 HA GLU 4 23.767 8.387 5.638 21 HB2 GLU 4 HB2 GLU 4 23.870 8.229 2.636 22 HB3 GLU 4 HB3 GLU 4 24.808 9.320 3.643 23 HG2 GLU 4 HG2 GLU 4 25.987 7.485 4.633 24 HG3 GLU 4 HG3 GLU 4 24.972 6.320 3.782 25 H LYS 5 H LYS 5 22.609 9.934 6.371 26 HA LYS 5 HA LYS 5 21.065 11.619 4.557 27 HB2 LYS 5 HB2 LYS 5 19.508 10.066 5.732 28 HB3 LYS 5 HB3 LYS 5 20.097 10.675 7.270 29 HG2 LYS 5 HG2 LYS 5 19.252 12.916 6.674 30 HG3 LYS 5 HG3 LYS 5 18.609 12.247 5.173 31 HD2 LYS 5 HD2 LYS 5 17.831 11.417 7.968 32 HD3 LYS 5 HD3 LYS 5 16.870 12.418 6.879 33 HE2 LYS 5 HE2 LYS 5 16.734 10.556 5.295 34 HE3 LYS 5 HE3 LYS 5 17.699 9.559 6.379 35 HZ1 LYS 5 HZ1 LYS 5 15.413 9.029 6.663 36 HZ2 LYS 5 HZ2 LYS 5 14.995 10.647 6.906 37 HZ3 LYS 5 HZ3 LYS 5 15.936 9.836 8.052 38 HA PRO 6 HA PRO 6 23.472 14.700 6.703 39 HB2 PRO 6 HB2 PRO 6 21.972 16.892 6.088 40 HB3 PRO 6 HB3 PRO 6 23.072 16.119 4.938 41 HG2 PRO 6 HG2 PRO 6 20.107 15.828 5.225 42 HG3 PRO 6 HG3 PRO 6 21.073 16.010 3.749 43 HD2 PRO 6 HD2 PRO 6 20.153 13.616 4.553 44 HD3 PRO 6 HD3 PRO 6 21.728 13.794 3.753 45 H LYS 7 H LYS 7 22.475 17.007 7.905 46 HA LYS 7 HA LYS 7 21.071 15.809 10.174 47 HB2 LYS 7 HB2 LYS 7 21.855 17.929 11.387 48 HB3 LYS 7 HB3 LYS 7 23.071 16.736 10.972 49 HG2 LYS 7 HG2 LYS 7 24.055 18.795 10.479 50 HG3 LYS 7 HG3 LYS 7 23.538 18.171 8.915 51 HD2 LYS 7 HD2 LYS 7 21.539 19.585 9.023 52 HD3 LYS 7 HD3 LYS 7 22.067 20.211 10.586 53 HE2 LYS 7 HE2 LYS 7 23.564 20.476 7.981 54 HE3 LYS 7 HE3 LYS 7 22.612 21.745 8.745 55 HZ1 LYS 7 HZ1 LYS 7 24.122 21.707 10.623 56 HZ2 LYS 7 HZ2 LYS 7 24.976 21.989 9.200 57 HZ3 LYS 7 HZ3 LYS 7 25.024 20.464 9.921 58 H GLU 8 H GLU 8 20.315 17.387 7.492 59 HA GLU 8 HA GLU 8 17.824 18.321 8.607 60 HB2 GLU 8 HB2 GLU 8 17.939 20.488 7.427 61 HB3 GLU 8 HB3 GLU 8 19.154 20.349 8.687 62 HG2 GLU 8 HG2 GLU 8 20.855 19.875 7.019 63 HG3 GLU 8 HG3 GLU 8 19.641 19.959 5.743 64 H GLY 9 H GLY 9 16.201 17.767 7.324 65 HA2 GLY 9 HA2 GLY 9 16.651 17.466 4.454 66 HA3 GLY 9 HA3 GLY 9 16.128 16.044 5.348 67 H VAL 10 H VAL 10 15.170 19.384 5.876 68 HA VAL 10 HA VAL 10 12.411 18.539 5.460 69 HB VAL 10 HB VAL 10 12.805 19.522 7.643 70 HG11 VAL 10 HG11 VAL 10 14.754 20.882 7.163 71 HG12 VAL 10 HG12 VAL 10 13.496 21.862 7.918 72 HG13 VAL 10 HG13 VAL 10 13.775 21.973 6.180 73 HG21 VAL 10 HG21 VAL 10 10.642 19.934 6.626 74 HG22 VAL 10 HG22 VAL 10 11.261 21.390 5.847 75 HG23 VAL 10 HG23 VAL 10 11.128 21.317 7.601 76 H LYS 11 H LYS 11 11.320 19.167 3.744 77 HA LYS 11 HA LYS 11 12.061 21.626 2.369 78 HB2 LYS 11 HB2 LYS 11 13.187 19.698 1.254 79 HB3 LYS 11 HB3 LYS 11 11.609 18.978 0.981 80 HG2 LYS 11 HG2 LYS 11 11.660 20.007 -0.982 81 HG3 LYS 11 HG3 LYS 11 11.304 21.474 -0.073 82 HD2 LYS 11 HD2 LYS 11 14.094 20.498 -0.725 83 HD3 LYS 11 HD3 LYS 11 13.220 21.704 -1.663 84 HE2 LYS 11 HE2 LYS 11 14.558 23.009 -0.288 85 HE3 LYS 11 HE3 LYS 11 13.038 22.970 0.596 86 HZ1 LYS 11 HZ1 LYS 11 15.324 21.156 1.152 87 HZ2 LYS 11 HZ2 LYS 11 13.934 21.345 2.096 88 HZ3 LYS 11 HZ3 LYS 11 15.049 22.599 1.974 89 H THR 12 H THR 12 10.258 22.814 2.103 90 HA THR 12 HA THR 12 7.693 21.486 2.389 91 HB THR 12 HB THR 12 8.072 23.563 3.681 92 HG1 THR 12 HG1 THR 12 6.076 24.496 3.148 93 HG21 THR 12 HG21 THR 12 9.504 24.767 2.099 94 HG22 THR 12 HG22 THR 12 8.102 25.742 2.536 95 HG23 THR 12 HG23 THR 12 8.152 24.918 0.977 96 H GLU 13 H GLU 13 6.233 21.234 0.816 97 HA GLU 13 HA GLU 13 6.886 22.290 -1.853 98 HB2 GLU 13 HB2 GLU 13 6.056 20.210 -2.830 99 HB3 GLU 13 HB3 GLU 13 7.400 19.899 -1.739 100 HG2 GLU 13 HG2 GLU 13 5.881 19.150 -0.020 101 HG3 GLU 13 HG3 GLU 13 4.495 19.559 -1.026 102 H ASN 14 H ASN 14 4.902 22.031 -3.334 103 HA ASN 14 HA ASN 14 2.698 23.407 -2.045 104 HB2 ASN 14 HB2 ASN 14 1.813 23.754 -4.287 105 HB3 ASN 14 HB3 ASN 14 3.519 24.175 -4.247 106 HD21 ASN 14 HD21 ASN 14 4.991 22.916 -5.375 107 HD22 ASN 14 HD22 ASN 14 4.493 21.747 -6.547 108 H ASN 15 H ASN 15 3.436 20.216 -2.444 109 HA ASN 15 HA ASN 15 0.656 19.409 -2.866 110 HB2 ASN 15 HB2 ASN 15 3.103 17.636 -2.766 111 HB3 ASN 15 HB3 ASN 15 1.482 17.173 -3.269 112 HD21 ASN 15 HD21 ASN 15 4.470 18.490 -4.197 113 HD22 ASN 15 HD22 ASN 15 4.073 18.820 -5.857 114 H ASP 16 H ASP 16 -0.236 17.781 -1.469 115 HA ASP 16 HA ASP 16 0.984 17.788 1.199 116 HB2 ASP 16 HB2 ASP 16 -1.274 19.098 0.764 117 HB3 ASP 16 HB3 ASP 16 -1.974 17.484 0.896 118 H HIS 17 H HIS 17 -0.772 15.919 2.357 119 HA HIS 17 HA HIS 17 -0.101 13.563 0.737 120 HB2 HIS 17 HB2 HIS 17 0.568 12.342 2.688 121 HB3 HIS 17 HB3 HIS 17 1.444 13.862 2.673 122 HD1 HIS 17 HD1 HIS 17 0.593 15.698 4.433 123 HD2 HIS 17 HD2 HIS 17 -0.929 11.861 4.932 124 HE1 HIS 17 HE1 HIS 17 -0.350 15.641 6.761 125 HE2 HIS 17 HE2 HIS 17 -1.120 13.273 7.092 126 H ILE 18 H ILE 18 -1.363 11.730 0.959 127 HA ILE 18 HA ILE 18 -3.969 12.104 2.247 128 HB ILE 18 HB ILE 18 -5.074 10.948 0.340 129 HG12 ILE 18 HG12 ILE 18 -2.521 11.465 -1.193 130 HG13 ILE 18 HG13 ILE 18 -2.940 9.897 -0.513 131 HG21 ILE 18 HG21 ILE 18 -5.185 13.371 0.496 132 HG22 ILE 18 HG22 ILE 18 -5.106 12.863 -1.191 133 HG23 ILE 18 HG23 ILE 18 -3.672 13.513 -0.398 134 HD11 ILE 18 HD11 ILE 18 -3.483 9.989 -2.869 135 HD12 ILE 18 HD12 ILE 18 -4.507 11.403 -2.603 136 HD13 ILE 18 HD13 ILE 18 -4.953 9.844 -1.906 137 H ASN 19 H ASN 19 -5.140 9.910 2.290 138 HA ASN 19 HA ASN 19 -3.189 7.891 3.150 139 HB2 ASN 19 HB2 ASN 19 -4.649 8.522 4.948 140 HB3 ASN 19 HB3 ASN 19 -6.073 8.378 3.921 141 HD21 ASN 19 HD21 ASN 19 -3.707 6.669 5.795 142 HD22 ASN 19 HD22 ASN 19 -4.509 5.143 5.774 143 H LEU 20 H LEU 20 -3.023 6.046 2.091 144 HA LEU 20 HA LEU 20 -5.241 5.259 0.337 145 HB2 LEU 20 HB2 LEU 20 -2.278 4.965 -0.180 146 HB3 LEU 20 HB3 LEU 20 -3.503 4.120 -1.098 147 HG LEU 20 HG LEU 20 -2.894 5.936 -2.446 148 HD11 LEU 20 HD11 LEU 20 -4.851 7.309 -2.601 149 HD12 LEU 20 HD12 LEU 20 -5.322 6.887 -0.959 150 HD13 LEU 20 HD13 LEU 20 -5.320 5.652 -2.217 151 HD21 LEU 20 HD21 LEU 20 -3.169 7.749 -0.064 152 HD22 LEU 20 HD22 LEU 20 -2.668 8.212 -1.694 153 HD23 LEU 20 HD23 LEU 20 -1.647 7.153 -0.722 154 H LYS 21 H LYS 21 -5.939 3.223 0.544 155 HA LYS 21 HA LYS 21 -4.434 1.523 2.402 156 HB2 LYS 21 HB2 LYS 21 -7.435 1.681 2.071 157 HB3 LYS 21 HB3 LYS 21 -6.569 0.650 3.205 158 HG2 LYS 21 HG2 LYS 21 -5.664 2.675 4.301 159 HG3 LYS 21 HG3 LYS 21 -6.633 3.659 3.210 160 HD2 LYS 21 HD2 LYS 21 -7.779 1.609 5.104 161 HD3 LYS 21 HD3 LYS 21 -7.653 3.330 5.461 162 HE2 LYS 21 HE2 LYS 21 -9.014 3.762 3.412 163 HE3 LYS 21 HE3 LYS 21 -9.277 2.024 3.282 164 HZ1 LYS 21 HZ1 LYS 21 -10.223 2.136 5.579 165 HZ2 LYS 21 HZ2 LYS 21 -11.120 2.964 4.420 166 HZ3 LYS 21 HZ3 LYS 21 -10.133 3.827 5.484 167 H VAL 22 H VAL 22 -4.300 -0.626 1.903 168 HA VAL 22 HA VAL 22 -5.218 -1.341 -0.807 169 HB VAL 22 HB VAL 22 -2.605 -2.195 0.420 170 HG11 VAL 22 HG11 VAL 22 -2.070 -3.239 -1.633 171 HG12 VAL 22 HG12 VAL 22 -3.608 -2.736 -2.322 172 HG13 VAL 22 HG13 VAL 22 -3.573 -3.890 -0.990 173 HG21 VAL 22 HG21 VAL 22 -1.429 -0.780 -0.919 174 HG22 VAL 22 HG22 VAL 22 -2.792 0.213 -0.388 175 HG23 VAL 22 HG23 VAL 22 -2.793 -0.523 -1.994 176 H ALA 23 H ALA 23 -6.247 -3.246 -0.987 177 HA ALA 23 HA ALA 23 -6.359 -4.933 1.432 178 HB1 ALA 23 HB1 ALA 23 -8.457 -3.722 1.099 179 HB2 ALA 23 HB2 ALA 23 -8.679 -5.454 0.853 180 HB3 ALA 23 HB3 ALA 23 -8.583 -4.371 -0.535 181 H GLY 24 H GLY 24 -5.713 -6.957 1.106 182 HA2 GLY 24 HA2 GLY 24 -5.397 -7.861 -1.670 183 HA3 GLY 24 HA3 GLY 24 -4.505 -8.488 -0.290 184 H GLN 25 H GLN 25 -5.923 -9.981 -2.260 185 HA GLN 25 HA GLN 25 -8.414 -10.921 -1.568 186 HB2 GLN 25 HB2 GLN 25 -7.512 -13.155 -2.585 187 HB3 GLN 25 HB3 GLN 25 -7.710 -11.728 -3.585 188 HG2 GLN 25 HG2 GLN 25 -5.616 -12.893 -4.074 189 HG3 GLN 25 HG3 GLN 25 -5.328 -11.270 -3.459 190 HE21 GLN 25 HE21 GLN 25 -4.229 -11.007 -1.561 191 HE22 GLN 25 HE22 GLN 25 -3.492 -12.307 -0.692 192 H ASP 26 H ASP 26 -5.690 -11.237 0.381 193 HA ASP 26 HA ASP 26 -6.359 -13.735 1.651 194 HB2 ASP 26 HB2 ASP 26 -4.035 -12.859 1.585 195 HB3 ASP 26 HB3 ASP 26 -4.535 -11.485 2.561 196 H GLY 27 H GLY 27 -7.286 -10.464 1.902 197 HA2 GLY 27 HA2 GLY 27 -9.238 -9.755 3.099 198 HA3 GLY 27 HA3 GLY 27 -8.975 -11.077 4.236 199 H SER 28 H SER 28 -6.365 -9.204 3.142 200 HA SER 28 HA SER 28 -6.122 -7.937 5.790 201 HB2 SER 28 HB2 SER 28 -4.455 -9.772 5.290 202 HB3 SER 28 HB3 SER 28 -3.838 -8.760 3.989 203 HG SER 28 HG SER 28 -2.655 -7.875 5.452 204 H VAL 29 H VAL 29 -5.941 -5.793 5.825 205 HA VAL 29 HA VAL 29 -5.257 -4.409 3.328 206 HB VAL 29 HB VAL 29 -7.609 -4.096 3.668 207 HG11 VAL 29 HG11 VAL 29 -7.769 -4.717 5.976 208 HG12 VAL 29 HG12 VAL 29 -8.550 -3.158 5.715 209 HG13 VAL 29 HG13 VAL 29 -6.955 -3.234 6.465 210 HG21 VAL 29 HG21 VAL 29 -6.437 -2.098 2.922 211 HG22 VAL 29 HG22 VAL 29 -6.156 -1.618 4.596 212 HG23 VAL 29 HG23 VAL 29 -7.797 -1.661 3.955 213 H VAL 30 H VAL 30 -3.984 -2.622 3.461 214 HA VAL 30 HA VAL 30 -2.854 -1.992 6.103 215 HB VAL 30 HB VAL 30 -1.214 -1.911 3.570 216 HG11 VAL 30 HG11 VAL 30 -0.451 -1.912 6.482 217 HG12 VAL 30 HG12 VAL 30 -0.408 -0.533 5.383 218 HG13 VAL 30 HG13 VAL 30 0.679 -1.898 5.129 219 HG21 VAL 30 HG21 VAL 30 -0.157 -4.020 4.278 220 HG22 VAL 30 HG22 VAL 30 -1.858 -4.216 3.862 221 HG23 VAL 30 HG23 VAL 30 -1.366 -4.178 5.557 222 H GLN 31 H GLN 31 -2.516 0.167 6.511 223 HA GLN 31 HA GLN 31 -3.544 1.966 4.445 224 HB2 GLN 31 HB2 GLN 31 -3.298 2.462 7.422 225 HB3 GLN 31 HB3 GLN 31 -4.042 3.538 6.257 226 HG2 GLN 31 HG2 GLN 31 -5.910 2.552 7.149 227 HG3 GLN 31 HG3 GLN 31 -5.585 1.465 5.804 228 HE21 GLN 31 HE21 GLN 31 -4.997 -0.614 6.188 229 HE22 GLN 31 HE22 GLN 31 -4.975 -1.327 7.758 230 H PHE 32 H PHE 32 -2.404 3.750 3.777 231 HA PHE 32 HA PHE 32 0.283 4.160 4.917 232 HB2 PHE 32 HB2 PHE 32 -0.241 4.236 1.937 233 HB3 PHE 32 HB3 PHE 32 1.307 4.250 2.764 234 HD1 PHE 32 HD1 PHE 32 -1.582 2.167 1.845 235 HD2 PHE 32 HD2 PHE 32 2.383 2.225 3.387 236 HE1 PHE 32 HE1 PHE 32 -1.450 -0.260 1.574 237 HE2 PHE 32 HE2 PHE 32 2.523 -0.216 3.120 238 HZ PHE 32 HZ PHE 32 0.601 -1.461 2.212 239 HH31 ALY 33 HH31 ALY 33 -6.351 11.209 5.682 240 HH32 ALY 33 HH32 ALY 33 -5.776 12.825 5.221 241 HH33 ALY 33 HH33 ALY 33 -5.710 12.288 6.912 242 HZ ALY 33 HZ ALY 33 -4.593 9.938 6.902 243 HE3 ALY 33 HE3 ALY 33 -1.854 10.672 6.098 244 HE2 ALY 33 HE2 ALY 33 -2.314 10.181 7.724 245 HD3 ALY 33 HD3 ALY 33 -2.899 7.952 6.863 246 HD2 ALY 33 HD2 ALY 33 -2.380 8.470 5.256 247 HG3 ALY 33 HG3 ALY 33 -0.531 8.576 7.620 248 HG2 ALY 33 HG2 ALY 33 -0.720 7.113 6.653 249 HB3 ALY 33 HB3 ALY 33 0.043 9.800 5.527 250 HB2 ALY 33 HB2 ALY 33 1.204 8.575 6.013 251 HCA ALY 33 HCA ALY 33 -0.849 8.311 3.795 252 H ALY 33 H ALY 33 1.113 6.278 4.651 253 H ILE 34 H ILE 34 -0.068 8.879 1.804 254 HA ILE 34 HA ILE 34 2.785 9.623 1.660 255 HB ILE 34 HB ILE 34 3.001 8.743 -0.566 256 HG12 ILE 34 HG12 ILE 34 0.150 7.766 -0.409 257 HG13 ILE 34 HG13 ILE 34 0.601 9.271 -1.200 258 HG21 ILE 34 HG21 ILE 34 3.367 7.139 1.232 259 HG22 ILE 34 HG22 ILE 34 2.667 6.335 -0.174 260 HG23 ILE 34 HG23 ILE 34 1.653 6.716 1.219 261 HD11 ILE 34 HD11 ILE 34 0.308 7.363 -2.743 262 HD12 ILE 34 HD12 ILE 34 1.683 6.574 -1.959 263 HD13 ILE 34 HD13 ILE 34 1.909 8.098 -2.814 264 H LYS 35 H LYS 35 3.234 11.025 -0.294 265 HA LYS 35 HA LYS 35 1.353 13.204 -0.289 266 HB2 LYS 35 HB2 LYS 35 4.004 12.869 -1.707 267 HB3 LYS 35 HB3 LYS 35 3.039 14.337 -1.753 268 HG2 LYS 35 HG2 LYS 35 4.764 14.677 -0.199 269 HG3 LYS 35 HG3 LYS 35 3.306 14.394 0.754 270 HD2 LYS 35 HD2 LYS 35 3.978 12.210 1.326 271 HD3 LYS 35 HD3 LYS 35 5.220 12.178 0.073 272 HE2 LYS 35 HE2 LYS 35 6.539 13.739 1.227 273 HE3 LYS 35 HE3 LYS 35 5.243 14.076 2.375 274 HZ1 LYS 35 HZ1 LYS 35 5.467 11.768 3.167 275 HZ2 LYS 35 HZ2 LYS 35 6.892 12.651 3.376 276 HZ3 LYS 35 HZ3 LYS 35 6.765 11.541 2.110 277 H ARG 36 H ARG 36 0.426 14.113 -2.235 278 HA ARG 36 HA ARG 36 -0.658 12.089 -3.917 279 HB2 ARG 36 HB2 ARG 36 -1.899 13.844 -4.982 280 HB3 ARG 36 HB3 ARG 36 -1.906 14.123 -3.255 281 HG2 ARG 36 HG2 ARG 36 -0.876 16.098 -3.458 282 HG3 ARG 36 HG3 ARG 36 0.291 15.465 -4.625 283 HD2 ARG 36 HD2 ARG 36 -1.503 15.498 -6.312 284 HD3 ARG 36 HD3 ARG 36 -2.529 16.361 -5.167 285 HE ARG 36 HE ARG 36 -0.122 17.767 -5.412 286 HH11 ARG 36 HH11 ARG 36 -2.915 16.940 -7.366 287 HH12 ARG 36 HH12 ARG 36 -2.752 18.310 -8.410 288 HH21 ARG 36 HH21 ARG 36 0.090 19.596 -6.796 289 HH22 ARG 36 HH22 ARG 36 -1.032 19.817 -8.095 290 H HIS 37 H HIS 37 2.239 13.830 -4.053 291 HA HIS 37 HA HIS 37 2.451 13.542 -6.969 292 HB2 HIS 37 HB2 HIS 37 2.844 15.814 -6.021 293 HB3 HIS 37 HB3 HIS 37 4.134 15.149 -5.034 294 HD1 HIS 37 HD1 HIS 37 6.398 15.409 -6.013 295 HD2 HIS 37 HD2 HIS 37 3.457 15.400 -8.943 296 HE1 HIS 37 HE1 HIS 37 7.603 15.817 -8.170 297 HE2 HIS 37 HE2 HIS 37 5.764 16.096 -9.864 298 H THR 38 H THR 38 3.072 12.092 -4.137 299 HA THR 38 HA THR 38 5.702 11.078 -4.679 300 HB THR 38 HB THR 38 3.717 10.937 -2.465 301 HG1 THR 38 HG1 THR 38 6.078 12.139 -2.934 302 HG21 THR 38 HG21 THR 38 5.075 9.289 -1.262 303 HG22 THR 38 HG22 THR 38 6.077 9.067 -2.702 304 HG23 THR 38 HG23 THR 38 4.369 8.609 -2.733 305 HA PRO 39 HA PRO 39 4.105 7.716 -7.098 306 HB2 PRO 39 HB2 PRO 39 6.278 6.044 -6.835 307 HB3 PRO 39 HB3 PRO 39 6.183 7.378 -7.991 308 HG2 PRO 39 HG2 PRO 39 7.501 7.279 -5.312 309 HG3 PRO 39 HG3 PRO 39 8.070 8.029 -6.816 310 HD2 PRO 39 HD2 PRO 39 6.996 9.476 -4.825 311 HD3 PRO 39 HD3 PRO 39 6.742 9.901 -6.533 312 H LEU 40 H LEU 40 2.634 6.349 -6.410 313 HA LEU 40 HA LEU 40 2.454 5.358 -3.798 314 HB2 LEU 40 HB2 LEU 40 0.704 3.785 -4.831 315 HB3 LEU 40 HB3 LEU 40 0.411 5.510 -4.876 316 HG LEU 40 HG LEU 40 1.227 5.499 -7.257 317 HD11 LEU 40 HD11 LEU 40 2.505 3.429 -7.197 318 HD12 LEU 40 HD12 LEU 40 1.263 3.382 -8.449 319 HD13 LEU 40 HD13 LEU 40 1.019 2.514 -6.931 320 HD21 LEU 40 HD21 LEU 40 -0.850 4.574 -8.150 321 HD22 LEU 40 HD22 LEU 40 -1.135 5.558 -6.712 322 HD23 LEU 40 HD23 LEU 40 -1.165 3.795 -6.598 323 H SER 41 H SER 41 4.311 4.301 -6.385 324 HA SER 41 HA SER 41 4.516 1.575 -6.175 325 HB2 SER 41 HB2 SER 41 5.685 2.907 -7.873 326 HB3 SER 41 HB3 SER 41 6.733 3.586 -6.633 327 HG SER 41 HG SER 41 7.745 1.884 -7.728 328 H LYS 42 H LYS 42 5.869 4.018 -4.035 329 HA LYS 42 HA LYS 42 7.625 2.259 -2.676 330 HB2 LYS 42 HB2 LYS 42 6.454 4.892 -1.753 331 HB3 LYS 42 HB3 LYS 42 7.760 4.031 -0.945 332 HG2 LYS 42 HG2 LYS 42 9.035 4.186 -3.132 333 HG3 LYS 42 HG3 LYS 42 7.796 5.320 -3.662 334 HD2 LYS 42 HD2 LYS 42 9.526 5.651 -1.208 335 HD3 LYS 42 HD3 LYS 42 9.804 6.439 -2.759 336 HE2 LYS 42 HE2 LYS 42 7.598 7.532 -2.558 337 HE3 LYS 42 HE3 LYS 42 7.407 6.800 -0.965 338 HZ1 LYS 42 HZ1 LYS 42 9.467 8.771 -1.790 339 HZ2 LYS 42 HZ2 LYS 42 9.487 7.962 -0.311 340 HZ3 LYS 42 HZ3 LYS 42 8.214 9.013 -0.679 341 H LEU 43 H LEU 43 4.309 3.323 -2.005 342 HA LEU 43 HA LEU 43 4.101 1.825 0.406 343 HB2 LEU 43 HB2 LEU 43 1.835 2.422 0.501 344 HB3 LEU 43 HB3 LEU 43 2.609 3.780 -0.280 345 HG LEU 43 HG LEU 43 1.825 2.592 -2.484 346 HD11 LEU 43 HD11 LEU 43 -0.151 1.495 -0.483 347 HD12 LEU 43 HD12 LEU 43 1.007 0.548 -1.415 348 HD13 LEU 43 HD13 LEU 43 -0.297 1.404 -2.238 349 HD21 LEU 43 HD21 LEU 43 -0.271 3.859 -2.389 350 HD22 LEU 43 HD22 LEU 43 1.084 4.782 -1.740 351 HD23 LEU 43 HD23 LEU 43 -0.077 4.034 -0.646 352 H MET 44 H MET 44 3.541 1.112 -2.974 353 HA MET 44 HA MET 44 2.135 -1.302 -2.596 354 HB2 MET 44 HB2 MET 44 3.837 -0.441 -4.936 355 HB3 MET 44 HB3 MET 44 2.778 -1.842 -4.930 356 HG2 MET 44 HG2 MET 44 0.914 -0.173 -4.351 357 HG3 MET 44 HG3 MET 44 2.056 1.059 -4.886 358 HE1 MET 44 HE1 MET 44 3.602 -0.654 -7.146 359 HE2 MET 44 HE2 MET 44 3.135 1.022 -7.443 360 HE3 MET 44 HE3 MET 44 2.711 -0.230 -8.608 361 H LYS 45 H LYS 45 5.585 -0.656 -3.183 362 HA LYS 45 HA LYS 45 6.413 -3.337 -2.977 363 HB2 LYS 45 HB2 LYS 45 7.888 -0.753 -2.472 364 HB3 LYS 45 HB3 LYS 45 8.661 -2.330 -2.535 365 HG2 LYS 45 HG2 LYS 45 7.015 -1.309 -4.820 366 HG3 LYS 45 HG3 LYS 45 8.707 -0.872 -4.643 367 HD2 LYS 45 HD2 LYS 45 7.664 -3.696 -4.774 368 HD3 LYS 45 HD3 LYS 45 8.328 -2.807 -6.146 369 HE2 LYS 45 HE2 LYS 45 9.775 -3.564 -3.609 370 HE3 LYS 45 HE3 LYS 45 10.003 -4.272 -5.204 371 HZ1 LYS 45 HZ1 LYS 45 10.562 -1.437 -4.505 372 HZ2 LYS 45 HZ2 LYS 45 10.824 -2.155 -6.011 373 HZ3 LYS 45 HZ3 LYS 45 11.724 -2.648 -4.671 374 H ALA 46 H ALA 46 5.959 -0.780 -0.595 375 HA ALA 46 HA ALA 46 7.083 -2.098 1.621 376 HB1 ALA 46 HB1 ALA 46 4.849 -0.066 1.558 377 HB2 ALA 46 HB2 ALA 46 6.575 0.295 1.629 378 HB3 ALA 46 HB3 ALA 46 5.790 -0.525 2.978 379 H TYR 47 H TYR 47 3.828 -2.074 0.254 380 HA TYR 47 HA TYR 47 2.519 -3.567 2.196 381 HB2 TYR 47 HB2 TYR 47 1.268 -2.458 0.463 382 HB3 TYR 47 HB3 TYR 47 2.060 -3.409 -0.787 383 HD1 TYR 47 HD1 TYR 47 -0.469 -3.458 1.880 384 HD2 TYR 47 HD2 TYR 47 1.378 -5.672 -1.238 385 HE1 TYR 47 HE1 TYR 47 -2.257 -5.115 2.017 386 HE2 TYR 47 HE2 TYR 47 -0.411 -7.346 -1.133 387 HH TYR 47 HH TYR 47 -2.057 -8.148 0.674 388 H CYS 48 H CYS 48 4.055 -4.720 -0.815 389 HA CYS 48 HA CYS 48 3.575 -7.436 -0.416 390 HB2 CYS 48 HB2 CYS 48 5.949 -6.245 -1.867 391 HB3 CYS 48 HB3 CYS 48 5.213 -7.822 -2.128 392 HG CYS 48 HG CYS 48 3.751 -4.809 -2.824 393 H GLU 49 H GLU 49 6.349 -5.429 0.504 394 HA GLU 49 HA GLU 49 7.950 -7.501 1.505 395 HB2 GLU 49 HB2 GLU 49 7.878 -4.550 2.106 396 HB3 GLU 49 HB3 GLU 49 9.060 -5.633 2.838 397 HG2 GLU 49 HG2 GLU 49 9.764 -6.272 0.518 398 HG3 GLU 49 HG3 GLU 49 8.711 -4.994 -0.083 399 H ARG 50 H ARG 50 5.520 -5.495 3.138 400 HA ARG 50 HA ARG 50 6.115 -6.655 5.711 401 HB2 ARG 50 HB2 ARG 50 4.215 -5.336 6.530 402 HB3 ARG 50 HB3 ARG 50 5.314 -4.355 5.573 403 HG2 ARG 50 HG2 ARG 50 3.764 -4.701 3.628 404 HG3 ARG 50 HG3 ARG 50 2.627 -5.426 4.764 405 HD2 ARG 50 HD2 ARG 50 2.245 -3.021 4.256 406 HD3 ARG 50 HD3 ARG 50 2.415 -3.387 5.967 407 HE ARG 50 HE ARG 50 4.835 -2.562 4.576 408 HH11 ARG 50 HH11 ARG 50 2.155 -1.596 6.637 409 HH12 ARG 50 HH12 ARG 50 2.872 -0.093 7.084 410 HH21 ARG 50 HH21 ARG 50 5.799 -0.586 5.195 411 HH22 ARG 50 HH22 ARG 50 4.959 0.487 6.264 412 H GLN 51 H GLN 51 3.668 -7.144 3.224 413 HA GLN 51 HA GLN 51 2.087 -8.892 4.845 414 HB2 GLN 51 HB2 GLN 51 2.036 -8.287 1.904 415 HB3 GLN 51 HB3 GLN 51 0.841 -9.286 2.744 416 HG2 GLN 51 HG2 GLN 51 1.471 -6.424 3.313 417 HG3 GLN 51 HG3 GLN 51 0.098 -7.005 2.376 418 HE21 GLN 51 HE21 GLN 51 1.514 -6.837 5.566 419 HE22 GLN 51 HE22 GLN 51 0.073 -7.206 6.442 420 H GLY 52 H GLY 52 4.828 -9.310 2.860 421 HA2 GLY 52 HA2 GLY 52 6.064 -11.264 2.656 422 HA3 GLY 52 HA3 GLY 52 4.714 -12.156 3.357 423 H LEU 53 H LEU 53 4.795 -9.961 0.606 424 HA LEU 53 HA LEU 53 3.969 -12.179 -1.131 425 HB2 LEU 53 HB2 LEU 53 2.801 -9.419 -0.922 426 HB3 LEU 53 HB3 LEU 53 2.712 -10.319 -2.420 427 HG LEU 53 HG LEU 53 0.651 -10.519 -1.282 428 HD11 LEU 53 HD11 LEU 53 2.153 -13.098 -0.927 429 HD12 LEU 53 HD12 LEU 53 1.449 -12.518 -2.436 430 HD13 LEU 53 HD13 LEU 53 0.404 -12.914 -1.071 431 HD21 LEU 53 HD21 LEU 53 1.359 -9.996 0.959 432 HD22 LEU 53 HD22 LEU 53 2.154 -11.567 1.091 433 HD23 LEU 53 HD23 LEU 53 0.398 -11.474 0.929 434 H SER 54 H SER 54 4.450 -11.679 -3.462 435 HA SER 54 HA SER 54 6.823 -9.962 -3.634 436 HB2 SER 54 HB2 SER 54 6.176 -12.465 -5.206 437 HB3 SER 54 HB3 SER 54 7.616 -11.480 -5.401 438 HG SER 54 HG SER 54 7.418 -13.495 -3.849 439 H MET 55 H MET 55 7.071 -8.727 -5.580 440 HA MET 55 HA MET 55 4.718 -7.601 -6.588 441 HB2 MET 55 HB2 MET 55 7.594 -7.444 -7.354 442 HB3 MET 55 HB3 MET 55 6.399 -6.810 -8.478 443 HG2 MET 55 HG2 MET 55 6.656 -6.001 -5.597 444 HG3 MET 55 HG3 MET 55 7.298 -5.092 -6.964 445 HE1 MET 55 HE1 MET 55 5.110 -4.366 -4.579 446 HE2 MET 55 HE2 MET 55 4.072 -3.246 -5.463 447 HE3 MET 55 HE3 MET 55 5.829 -3.141 -5.625 448 H ARG 56 H ARG 56 6.566 -10.307 -7.649 449 HA ARG 56 HA ARG 56 5.188 -10.504 -10.182 450 HB2 ARG 56 HB2 ARG 56 6.455 -12.621 -10.477 451 HB3 ARG 56 HB3 ARG 56 7.488 -11.239 -10.166 452 HG2 ARG 56 HG2 ARG 56 6.675 -12.850 -7.824 453 HG3 ARG 56 HG3 ARG 56 7.800 -13.598 -8.960 454 HD2 ARG 56 HD2 ARG 56 8.206 -10.893 -7.681 455 HD3 ARG 56 HD3 ARG 56 8.895 -12.393 -7.067 456 HE ARG 56 HE ARG 56 9.557 -11.997 -9.798 457 HH11 ARG 56 HH11 ARG 56 10.380 -10.884 -6.565 458 HH12 ARG 56 HH12 ARG 56 12.010 -10.484 -6.983 459 HH21 ARG 56 HH21 ARG 56 11.733 -11.449 -10.342 460 HH22 ARG 56 HH22 ARG 56 12.778 -10.815 -9.118 461 H GLN 57 H GLN 57 4.690 -11.450 -6.989 462 HA GLN 57 HA GLN 57 3.021 -13.741 -7.635 463 HB2 GLN 57 HB2 GLN 57 4.264 -12.658 -5.197 464 HB3 GLN 57 HB3 GLN 57 2.688 -13.403 -4.965 465 HG2 GLN 57 HG2 GLN 57 4.471 -14.993 -4.587 466 HG3 GLN 57 HG3 GLN 57 3.503 -15.461 -5.984 467 HE21 GLN 57 HE21 GLN 57 4.400 -15.175 -8.051 468 HE22 GLN 57 HE22 GLN 57 6.111 -15.118 -8.270 469 H ILE 58 H ILE 58 2.654 -10.409 -6.950 470 HA ILE 58 HA ILE 58 -0.261 -10.799 -7.011 471 HB ILE 58 HB ILE 58 -0.700 -9.215 -5.275 472 HG12 ILE 58 HG12 ILE 58 2.299 -8.834 -5.120 473 HG13 ILE 58 HG13 ILE 58 1.116 -7.657 -5.681 474 HG21 ILE 58 HG21 ILE 58 0.194 -10.366 -3.333 475 HG22 ILE 58 HG22 ILE 58 1.433 -11.117 -4.338 476 HG23 ILE 58 HG23 ILE 58 -0.265 -11.524 -4.585 477 HD11 ILE 58 HD11 ILE 58 1.892 -7.163 -3.428 478 HD12 ILE 58 HD12 ILE 58 1.296 -8.732 -2.880 479 HD13 ILE 58 HD13 ILE 58 0.163 -7.512 -3.465 480 H ARG 59 H ARG 59 -1.321 -8.557 -7.077 481 HA ARG 59 HA ARG 59 0.129 -6.581 -8.593 482 HB2 ARG 59 HB2 ARG 59 -1.888 -8.357 -9.860 483 HB3 ARG 59 HB3 ARG 59 -1.962 -6.650 -10.267 484 HG2 ARG 59 HG2 ARG 59 0.416 -8.467 -10.631 485 HG3 ARG 59 HG3 ARG 59 -0.652 -7.869 -11.903 486 HD2 ARG 59 HD2 ARG 59 0.006 -5.539 -11.198 487 HD3 ARG 59 HD3 ARG 59 1.241 -6.270 -10.179 488 HE ARG 59 HE ARG 59 1.130 -6.451 -13.119 489 HH11 ARG 59 HH11 ARG 59 2.973 -6.614 -10.125 490 HH12 ARG 59 HH12 ARG 59 4.503 -6.594 -10.919 491 HH21 ARG 59 HH21 ARG 59 3.175 -6.422 -14.165 492 HH22 ARG 59 HH22 ARG 59 4.621 -6.483 -13.214 493 H PHE 60 H PHE 60 -0.692 -4.600 -8.401 494 HA PHE 60 HA PHE 60 -2.936 -4.271 -6.572 495 HB2 PHE 60 HB2 PHE 60 -0.852 -2.303 -7.559 496 HB3 PHE 60 HB3 PHE 60 -2.124 -1.923 -6.402 497 HD1 PHE 60 HD1 PHE 60 0.770 -4.193 -6.929 498 HD2 PHE 60 HD2 PHE 60 -1.714 -2.183 -4.098 499 HE1 PHE 60 HE1 PHE 60 2.254 -4.912 -5.112 500 HE2 PHE 60 HE2 PHE 60 -0.223 -2.902 -2.293 501 HZ PHE 60 HZ PHE 60 1.756 -4.269 -2.795 502 H ARG 61 H ARG 61 -4.732 -3.075 -7.128 503 HA ARG 61 HA ARG 61 -4.948 -2.116 -9.883 504 HB2 ARG 61 HB2 ARG 61 -5.645 -4.408 -9.907 505 HB3 ARG 61 HB3 ARG 61 -6.741 -4.135 -8.565 506 HG2 ARG 61 HG2 ARG 61 -7.570 -2.310 -10.443 507 HG3 ARG 61 HG3 ARG 61 -7.112 -3.721 -11.409 508 HD2 ARG 61 HD2 ARG 61 -8.399 -4.984 -9.500 509 HD3 ARG 61 HD3 ARG 61 -9.198 -3.418 -9.335 510 HE ARG 61 HE ARG 61 -9.425 -3.853 -11.958 511 HH11 ARG 61 HH11 ARG 61 -10.001 -5.986 -9.231 512 HH12 ARG 61 HH12 ARG 61 -11.283 -6.846 -10.007 513 HH21 ARG 61 HH21 ARG 61 -11.139 -4.995 -12.994 514 HH22 ARG 61 HH22 ARG 61 -11.935 -6.275 -12.155 515 H PHE 62 H PHE 62 -6.429 -0.486 -10.157 516 HA PHE 62 HA PHE 62 -8.212 0.232 -7.999 517 HB2 PHE 62 HB2 PHE 62 -6.109 1.363 -7.417 518 HB3 PHE 62 HB3 PHE 62 -6.096 2.155 -8.988 519 HD1 PHE 62 HD1 PHE 62 -7.796 1.933 -5.745 520 HD2 PHE 62 HD2 PHE 62 -7.456 4.073 -9.404 521 HE1 PHE 62 HE1 PHE 62 -9.126 3.769 -4.794 522 HE2 PHE 62 HE2 PHE 62 -8.783 5.913 -8.461 523 HZ PHE 62 HZ PHE 62 -9.616 5.764 -6.150 524 H ASP 63 H ASP 63 -9.861 1.559 -8.697 525 HA ASP 63 HA ASP 63 -11.509 2.222 -10.185 526 HB2 ASP 63 HB2 ASP 63 -9.603 3.867 -10.605 527 HB3 ASP 63 HB3 ASP 63 -9.257 2.939 -12.037 528 H GLY 64 H GLY 64 -10.257 -0.485 -10.439 529 HA2 GLY 64 HA2 GLY 64 -10.947 -2.275 -11.672 530 HA3 GLY 64 HA3 GLY 64 -11.556 -1.202 -12.923 531 H GLN 65 H GLN 65 -8.811 0.166 -12.673 532 HA GLN 65 HA GLN 65 -7.520 -1.529 -14.693 533 HB2 GLN 65 HB2 GLN 65 -6.176 0.522 -15.204 534 HB3 GLN 65 HB3 GLN 65 -7.907 0.727 -15.427 535 HG2 GLN 65 HG2 GLN 65 -8.037 1.839 -13.250 536 HG3 GLN 65 HG3 GLN 65 -6.295 1.678 -13.070 537 HE21 GLN 65 HE21 GLN 65 -6.002 3.867 -12.951 538 HE22 GLN 65 HE22 GLN 65 -6.171 4.925 -14.301 539 HA PRO 66 HA PRO 66 -4.254 -2.723 -11.977 540 HB2 PRO 66 HB2 PRO 66 -2.255 -3.175 -13.738 541 HB3 PRO 66 HB3 PRO 66 -3.662 -4.235 -13.605 542 HG2 PRO 66 HG2 PRO 66 -3.105 -2.070 -15.594 543 HG3 PRO 66 HG3 PRO 66 -3.782 -3.686 -15.862 544 HD2 PRO 66 HD2 PRO 66 -5.312 -1.441 -15.719 545 HD3 PRO 66 HD3 PRO 66 -5.894 -3.043 -15.220 546 H ILE 67 H ILE 67 -2.600 -1.824 -10.830 547 HA ILE 67 HA ILE 67 -1.773 0.881 -11.596 548 HB ILE 67 HB ILE 67 -1.206 -0.544 -8.991 549 HG12 ILE 67 HG12 ILE 67 -3.566 1.248 -9.629 550 HG13 ILE 67 HG13 ILE 67 -3.637 -0.488 -9.354 551 HG21 ILE 67 HG21 ILE 67 -0.971 1.731 -8.108 552 HG22 ILE 67 HG22 ILE 67 -1.274 2.379 -9.722 553 HG23 ILE 67 HG23 ILE 67 0.166 1.407 -9.418 554 HD11 ILE 67 HD11 ILE 67 -4.334 0.667 -7.375 555 HD12 ILE 67 HD12 ILE 67 -2.852 1.619 -7.357 556 HD13 ILE 67 HD13 ILE 67 -2.788 -0.119 -7.063 557 H ASN 68 H ASN 68 0.419 1.501 -11.636 558 HA ASN 68 HA ASN 68 2.356 -0.708 -11.741 559 HB2 ASN 68 HB2 ASN 68 2.683 1.730 -13.452 560 HB3 ASN 68 HB3 ASN 68 3.356 0.123 -13.666 561 HD21 ASN 68 HD21 ASN 68 0.659 2.182 -14.132 562 HD22 ASN 68 HD22 ASN 68 -0.205 1.151 -15.195 563 H GLU 69 H GLU 69 4.644 0.269 -11.622 564 HA GLU 69 HA GLU 69 4.738 1.929 -9.303 565 HB2 GLU 69 HB2 GLU 69 7.140 1.708 -9.447 566 HB3 GLU 69 HB3 GLU 69 6.401 0.145 -9.745 567 HG2 GLU 69 HG2 GLU 69 6.902 0.221 -12.033 568 HG3 GLU 69 HG3 GLU 69 7.231 1.953 -11.985 569 H THR 70 H THR 70 4.385 2.534 -12.552 570 HA THR 70 HA THR 70 5.760 5.077 -12.602 571 HB THR 70 HB THR 70 4.854 5.113 -14.973 572 HG1 THR 70 HG1 THR 70 3.317 3.673 -15.295 573 HG21 THR 70 HG21 THR 70 6.429 3.372 -15.742 574 HG22 THR 70 HG22 THR 70 6.532 2.758 -14.091 575 HG23 THR 70 HG23 THR 70 7.128 4.374 -14.471 576 H ASP 71 H ASP 71 2.840 4.016 -11.519 577 HA ASP 71 HA ASP 71 1.401 6.391 -12.399 578 HB2 ASP 71 HB2 ASP 71 0.558 3.781 -11.279 579 HB3 ASP 71 HB3 ASP 71 -0.476 5.177 -11.029 580 H THR 72 H THR 72 0.616 7.910 -11.078 581 HA THR 72 HA THR 72 1.583 7.909 -8.310 582 HB THR 72 HB THR 72 0.839 10.493 -8.848 583 HG1 THR 72 HG1 THR 72 0.735 10.666 -10.971 584 HG21 THR 72 HG21 THR 72 3.254 10.950 -9.070 585 HG22 THR 72 HG22 THR 72 3.547 9.226 -9.307 586 HG23 THR 72 HG23 THR 72 2.914 9.812 -7.766 587 HA PRO 73 HA PRO 73 -2.549 7.705 -6.790 588 HB2 PRO 73 HB2 PRO 73 -2.513 9.666 -4.839 589 HB3 PRO 73 HB3 PRO 73 -1.891 8.027 -4.627 590 HG2 PRO 73 HG2 PRO 73 -0.413 10.547 -5.274 591 HG3 PRO 73 HG3 PRO 73 0.045 9.229 -4.177 592 HD2 PRO 73 HD2 PRO 73 1.115 9.487 -6.608 593 HD3 PRO 73 HD3 PRO 73 0.769 7.884 -5.921 594 H ALA 74 H ALA 74 -1.289 10.847 -7.648 595 HA ALA 74 HA ALA 74 -3.839 12.126 -7.687 596 HB1 ALA 74 HB1 ALA 74 -1.225 13.056 -8.856 597 HB2 ALA 74 HB2 ALA 74 -1.757 13.336 -7.196 598 HB3 ALA 74 HB3 ALA 74 -2.647 14.056 -8.542 599 H GLN 75 H GLN 75 -2.250 10.066 -9.853 600 HA GLN 75 HA GLN 75 -3.262 11.208 -12.284 601 HB2 GLN 75 HB2 GLN 75 -1.458 9.121 -11.581 602 HB3 GLN 75 HB3 GLN 75 -2.706 8.431 -12.605 603 HG2 GLN 75 HG2 GLN 75 -0.781 9.215 -13.891 604 HG3 GLN 75 HG3 GLN 75 -2.266 10.053 -14.329 605 HE21 GLN 75 HE21 GLN 75 -1.244 11.836 -15.131 606 HE22 GLN 75 HE22 GLN 75 -0.412 12.976 -14.131 607 H LEU 76 H LEU 76 -4.248 8.697 -10.063 608 HA LEU 76 HA LEU 76 -6.551 8.042 -11.712 609 HB2 LEU 76 HB2 LEU 76 -6.075 6.926 -8.974 610 HB3 LEU 76 HB3 LEU 76 -6.882 6.187 -10.338 611 HG LEU 76 HG LEU 76 -4.372 6.381 -11.332 612 HD11 LEU 76 HD11 LEU 76 -4.036 5.870 -8.389 613 HD12 LEU 76 HD12 LEU 76 -3.511 7.324 -9.238 614 HD13 LEU 76 HD13 LEU 76 -2.782 5.763 -9.625 615 HD21 LEU 76 HD21 LEU 76 -5.346 4.142 -9.567 616 HD22 LEU 76 HD22 LEU 76 -4.155 4.028 -10.861 617 HD23 LEU 76 HD23 LEU 76 -5.838 4.391 -11.239 618 H GLU 77 H GLU 77 -5.902 10.563 -9.946 619 HA GLU 77 HA GLU 77 -6.908 11.999 -8.508 620 HB2 GLU 77 HB2 GLU 77 -9.198 12.660 -9.192 621 HB3 GLU 77 HB3 GLU 77 -8.096 12.514 -10.547 622 HG2 GLU 77 HG2 GLU 77 -9.076 10.261 -10.996 623 HG3 GLU 77 HG3 GLU 77 -10.268 10.594 -9.740 624 H MET 78 H MET 78 -6.631 9.528 -7.338 625 HA MET 78 HA MET 78 -9.054 8.715 -6.061 626 HB2 MET 78 HB2 MET 78 -7.650 7.143 -4.864 627 HB3 MET 78 HB3 MET 78 -7.214 7.153 -6.567 628 HG2 MET 78 HG2 MET 78 -5.462 8.930 -5.729 629 HG3 MET 78 HG3 MET 78 -5.682 8.070 -4.209 630 HE1 MET 78 HE1 MET 78 -4.839 4.367 -5.501 631 HE2 MET 78 HE2 MET 78 -6.411 5.154 -5.645 632 HE3 MET 78 HE3 MET 78 -5.487 5.299 -4.150 633 H GLU 79 H GLU 79 -9.290 8.691 -3.697 634 HA GLU 79 HA GLU 79 -8.337 11.241 -2.560 635 HB2 GLU 79 HB2 GLU 79 -10.437 11.339 -1.359 636 HB3 GLU 79 HB3 GLU 79 -10.755 11.130 -3.077 637 HG2 GLU 79 HG2 GLU 79 -10.852 8.606 -2.489 638 HG3 GLU 79 HG3 GLU 79 -11.088 9.184 -0.843 639 H ASP 80 H ASP 80 -8.248 11.229 -0.091 640 HA ASP 80 HA ASP 80 -6.795 9.129 0.925 641 HB2 ASP 80 HB2 ASP 80 -7.340 10.120 3.155 642 HB3 ASP 80 HB3 ASP 80 -6.723 11.287 1.987 643 H GLU 81 H GLU 81 -7.247 7.444 2.235 644 HA GLU 81 HA GLU 81 -8.322 5.741 3.212 645 HB2 GLU 81 HB2 GLU 81 -10.723 7.533 2.954 646 HB3 GLU 81 HB3 GLU 81 -10.756 5.962 3.748 647 HG2 GLU 81 HG2 GLU 81 -8.826 8.092 4.540 648 HG3 GLU 81 HG3 GLU 81 -10.447 8.029 5.202 649 H ASP 82 H ASP 82 -8.249 6.379 0.185 650 HA ASP 82 HA ASP 82 -10.387 4.783 -0.850 651 HB2 ASP 82 HB2 ASP 82 -8.570 6.533 -1.975 652 HB3 ASP 82 HB3 ASP 82 -8.062 4.963 -2.595 653 H THR 83 H THR 83 -10.143 2.721 -1.945 654 HA THR 83 HA THR 83 -8.181 1.075 -0.498 655 HB THR 83 HB THR 83 -10.855 0.167 -1.557 656 HG1 THR 83 HG1 THR 83 -10.338 1.769 0.463 657 HG21 THR 83 HG21 THR 83 -8.934 -1.066 0.434 658 HG22 THR 83 HG22 THR 83 -9.192 -1.622 -1.218 659 HG23 THR 83 HG23 THR 83 -10.498 -1.731 -0.040 660 H ILE 84 H ILE 84 -6.795 -0.140 -1.562 661 HA ILE 84 HA ILE 84 -6.856 -0.275 -4.474 662 HB ILE 84 HB ILE 84 -4.716 -1.236 -2.537 663 HG12 ILE 84 HG12 ILE 84 -5.183 1.214 -2.356 664 HG13 ILE 84 HG13 ILE 84 -3.553 0.833 -2.882 665 HG21 ILE 84 HG21 ILE 84 -4.513 -2.288 -4.680 666 HG22 ILE 84 HG22 ILE 84 -3.250 -1.060 -4.533 667 HG23 ILE 84 HG23 ILE 84 -4.684 -0.740 -5.508 668 HD11 ILE 84 HD11 ILE 84 -5.826 1.724 -4.622 669 HD12 ILE 84 HD12 ILE 84 -4.197 1.321 -5.173 670 HD13 ILE 84 HD13 ILE 84 -4.451 2.699 -4.098 671 H ASP 85 H ASP 85 -6.976 -2.232 -5.598 672 HA ASP 85 HA ASP 85 -7.813 -4.563 -4.012 673 HB2 ASP 85 HB2 ASP 85 -9.378 -3.791 -5.771 674 HB3 ASP 85 HB3 ASP 85 -8.117 -4.042 -6.975 675 H VAL 86 H VAL 86 -6.287 -6.008 -3.628 676 HA VAL 86 HA VAL 86 -4.191 -6.414 -5.661 677 HB VAL 86 HB VAL 86 -4.107 -6.819 -2.670 678 HG11 VAL 86 HG11 VAL 86 -1.874 -7.757 -2.935 679 HG12 VAL 86 HG12 VAL 86 -2.036 -7.679 -4.689 680 HG13 VAL 86 HG13 VAL 86 -3.064 -8.768 -3.758 681 HG21 VAL 86 HG21 VAL 86 -3.663 -4.587 -3.505 682 HG22 VAL 86 HG22 VAL 86 -2.414 -5.231 -4.574 683 HG23 VAL 86 HG23 VAL 86 -2.210 -5.315 -2.823 684 H PHE 87 H PHE 87 -3.813 -8.374 -6.477 685 HA PHE 87 HA PHE 87 -5.334 -10.625 -5.437 686 HB2 PHE 87 HB2 PHE 87 -5.856 -11.255 -7.886 687 HB3 PHE 87 HB3 PHE 87 -6.843 -10.018 -7.121 688 HD1 PHE 87 HD1 PHE 87 -6.618 -7.666 -7.762 689 HD2 PHE 87 HD2 PHE 87 -4.393 -10.735 -9.712 690 HE1 PHE 87 HE1 PHE 87 -6.129 -6.145 -9.595 691 HE2 PHE 87 HE2 PHE 87 -3.899 -9.193 -11.561 692 HZ PHE 87 HZ PHE 87 -4.768 -6.890 -11.508 693 H GLN 88 H GLN 88 -4.535 -12.736 -6.352 694 HA GLN 88 HA GLN 88 -1.645 -12.592 -6.344 695 HB2 GLN 88 HB2 GLN 88 -3.011 -14.148 -4.880 696 HB3 GLN 88 HB3 GLN 88 -3.385 -15.054 -6.338 697 HG2 GLN 88 HG2 GLN 88 -1.586 -16.259 -5.774 698 HG3 GLN 88 HG3 GLN 88 -0.696 -14.924 -6.503 699 HE21 GLN 88 HE21 GLN 88 -1.413 -13.115 -4.285 700 HE22 GLN 88 HE22 GLN 88 -0.396 -13.582 -2.967 701 H GLN 89 H GLN 89 -0.515 -12.620 -8.110 702 HA GLN 89 HA GLN 89 -1.614 -13.784 -10.582 703 HB2 GLN 89 HB2 GLN 89 0.564 -11.755 -10.104 704 HB3 GLN 89 HB3 GLN 89 0.275 -12.489 -11.675 705 HG2 GLN 89 HG2 GLN 89 -1.764 -10.899 -10.134 706 HG3 GLN 89 HG3 GLN 89 -0.727 -10.240 -11.396 707 HE21 GLN 89 HE21 GLN 89 -2.415 -9.686 -12.721 708 HE22 GLN 89 HE22 GLN 89 -3.383 -10.843 -13.558 709 H GLN 90 H GLN 90 -0.227 -15.106 -8.236 710 HA GLN 90 HA GLN 90 2.338 -15.982 -9.012 711 HB2 GLN 90 HB2 GLN 90 1.419 -16.180 -6.711 712 HB3 GLN 90 HB3 GLN 90 0.310 -17.417 -7.283 713 HG2 GLN 90 HG2 GLN 90 2.286 -18.787 -7.935 714 HG3 GLN 90 HG3 GLN 90 3.311 -17.579 -7.161 715 HE21 GLN 90 HE21 GLN 90 3.269 -17.380 -4.915 716 HE22 GLN 90 HE22 GLN 90 2.609 -18.610 -3.900 717 H THR 91 H THR 91 2.892 -17.267 -10.640 718 HA THR 91 HA THR 91 1.092 -18.420 -12.415 719 HB THR 91 HB THR 91 3.945 -19.324 -12.028 720 HG1 THR 91 HG1 THR 91 2.904 -17.005 -13.326 721 HG21 THR 91 HG21 THR 91 3.854 -19.622 -14.471 722 HG22 THR 91 HG22 THR 91 2.173 -19.094 -14.469 723 HG23 THR 91 HG23 THR 91 2.626 -20.593 -13.659 724 H GLY 92 H GLY 92 -0.166 -20.127 -12.154 725 HA2 GLY 92 HA2 GLY 92 0.456 -22.113 -10.109 726 HA3 GLY 92 HA3 GLY 92 -1.064 -21.955 -10.981 727 H GLY 93 H GLY 93 2.312 -22.906 -11.374 728 HA2 GLY 93 HA2 GLY 93 1.425 -24.735 -13.511 729 HA3 GLY 93 HA3 GLY 93 3.003 -23.961 -13.496 Start of MODEL 17 1 H MET 1 H MET 1 18.572 30.975 -13.254 2 HA MET 1 HA MET 1 18.429 29.373 -11.435 3 HB2 MET 1 HB2 MET 1 20.152 31.110 -11.401 4 HB3 MET 1 HB3 MET 1 19.034 32.231 -10.642 5 HG2 MET 1 HG2 MET 1 20.613 31.307 -9.041 6 HG3 MET 1 HG3 MET 1 18.954 30.854 -8.653 7 HE1 MET 1 HE1 MET 1 22.018 27.991 -10.594 8 HE2 MET 1 HE2 MET 1 22.390 29.651 -10.133 9 HE3 MET 1 HE3 MET 1 21.273 29.333 -11.460 10 H ALA 2 H ALA 2 17.098 32.423 -10.179 11 HA ALA 2 HA ALA 2 15.097 30.829 -8.728 12 HB1 ALA 2 HB1 ALA 2 16.362 33.449 -7.918 13 HB2 ALA 2 HB2 ALA 2 16.744 31.866 -7.241 14 HB3 ALA 2 HB3 ALA 2 15.142 32.565 -7.000 15 H ASP 3 H ASP 3 14.978 31.997 -11.414 16 HA ASP 3 HA ASP 3 13.602 34.420 -11.539 17 HB2 ASP 3 HB2 ASP 3 13.542 32.068 -13.428 18 HB3 ASP 3 HB3 ASP 3 12.897 33.660 -13.802 19 H GLU 4 H GLU 4 12.325 31.094 -11.342 20 HA GLU 4 HA GLU 4 9.651 32.254 -10.927 21 HB2 GLU 4 HB2 GLU 4 8.763 30.110 -11.737 22 HB3 GLU 4 HB3 GLU 4 9.779 30.892 -12.938 23 HG2 GLU 4 HG2 GLU 4 11.605 29.398 -12.427 24 HG3 GLU 4 HG3 GLU 4 10.673 28.664 -11.121 25 H LYS 5 H LYS 5 11.523 32.041 -8.839 26 HA LYS 5 HA LYS 5 10.099 30.619 -6.895 27 HB2 LYS 5 HB2 LYS 5 11.936 29.000 -6.276 28 HB3 LYS 5 HB3 LYS 5 11.018 28.614 -7.726 29 HG2 LYS 5 HG2 LYS 5 12.768 29.190 -9.141 30 HG3 LYS 5 HG3 LYS 5 13.583 30.111 -7.876 31 HD2 LYS 5 HD2 LYS 5 13.202 27.122 -7.785 32 HD3 LYS 5 HD3 LYS 5 14.645 27.903 -8.436 33 HE2 LYS 5 HE2 LYS 5 14.953 29.035 -6.245 34 HE3 LYS 5 HE3 LYS 5 13.587 28.121 -5.615 35 HZ1 LYS 5 HZ1 LYS 5 15.725 27.109 -5.057 36 HZ2 LYS 5 HZ2 LYS 5 16.076 26.924 -6.700 37 HZ3 LYS 5 HZ3 LYS 5 14.781 26.083 -6.013 38 HA PRO 6 HA PRO 6 12.786 33.916 -5.270 39 HB2 PRO 6 HB2 PRO 6 10.936 35.121 -3.790 40 HB3 PRO 6 HB3 PRO 6 10.992 35.341 -5.543 41 HG2 PRO 6 HG2 PRO 6 9.272 33.536 -3.903 42 HG3 PRO 6 HG3 PRO 6 8.790 34.601 -5.243 43 HD2 PRO 6 HD2 PRO 6 9.238 31.916 -5.544 44 HD3 PRO 6 HD3 PRO 6 9.511 33.092 -6.846 45 H LYS 7 H LYS 7 13.585 34.240 -3.196 46 HA LYS 7 HA LYS 7 13.161 32.017 -1.385 47 HB2 LYS 7 HB2 LYS 7 15.071 33.503 -0.157 48 HB3 LYS 7 HB3 LYS 7 15.404 32.259 -1.349 49 HG2 LYS 7 HG2 LYS 7 16.703 34.136 -1.965 50 HG3 LYS 7 HG3 LYS 7 15.346 34.088 -3.092 51 HD2 LYS 7 HD2 LYS 7 14.195 35.779 -1.773 52 HD3 LYS 7 HD3 LYS 7 15.563 35.853 -0.658 53 HE2 LYS 7 HE2 LYS 7 15.664 36.488 -3.613 54 HE3 LYS 7 HE3 LYS 7 15.635 37.679 -2.315 55 HZ1 LYS 7 HZ1 LYS 7 17.758 36.800 -1.525 56 HZ2 LYS 7 HZ2 LYS 7 17.881 37.313 -3.131 57 HZ3 LYS 7 HZ3 LYS 7 17.776 35.666 -2.778 58 H GLU 8 H GLU 8 12.149 35.200 -1.796 59 HA GLU 8 HA GLU 8 11.378 35.489 1.011 60 HB2 GLU 8 HB2 GLU 8 11.367 37.399 -1.301 61 HB3 GLU 8 HB3 GLU 8 10.662 37.769 0.267 62 HG2 GLU 8 HG2 GLU 8 12.853 37.520 1.311 63 HG3 GLU 8 HG3 GLU 8 13.557 37.126 -0.256 64 H GLY 9 H GLY 9 9.601 34.362 1.330 65 HA2 GLY 9 HA2 GLY 9 7.270 34.107 1.351 66 HA3 GLY 9 HA3 GLY 9 7.175 35.225 -0.005 67 H VAL 10 H VAL 10 8.603 32.055 0.622 68 HA VAL 10 HA VAL 10 8.333 31.031 -1.968 69 HB VAL 10 HB VAL 10 9.703 29.964 -0.184 70 HG11 VAL 10 HG11 VAL 10 7.056 29.044 0.921 71 HG12 VAL 10 HG12 VAL 10 8.186 30.162 1.686 72 HG13 VAL 10 HG13 VAL 10 8.639 28.474 1.448 73 HG21 VAL 10 HG21 VAL 10 9.204 27.623 -0.763 74 HG22 VAL 10 HG22 VAL 10 9.179 28.678 -2.174 75 HG23 VAL 10 HG23 VAL 10 7.665 28.135 -1.452 76 H LYS 11 H LYS 11 6.660 29.594 -2.954 77 HA LYS 11 HA LYS 11 4.045 30.264 -1.904 78 HB2 LYS 11 HB2 LYS 11 5.239 29.943 -4.550 79 HB3 LYS 11 HB3 LYS 11 3.726 29.067 -4.375 80 HG2 LYS 11 HG2 LYS 11 3.389 31.299 -5.293 81 HG3 LYS 11 HG3 LYS 11 2.589 31.111 -3.735 82 HD2 LYS 11 HD2 LYS 11 4.499 32.256 -2.659 83 HD3 LYS 11 HD3 LYS 11 5.215 32.503 -4.254 84 HE2 LYS 11 HE2 LYS 11 4.036 34.505 -3.527 85 HE3 LYS 11 HE3 LYS 11 3.246 33.794 -4.932 86 HZ1 LYS 11 HZ1 LYS 11 1.662 34.495 -3.240 87 HZ2 LYS 11 HZ2 LYS 11 2.364 33.444 -2.116 88 HZ3 LYS 11 HZ3 LYS 11 1.594 32.823 -3.483 89 H THR 12 H THR 12 2.558 28.319 -3.091 90 HA THR 12 HA THR 12 3.581 25.827 -1.956 91 HB THR 12 HB THR 12 1.944 26.779 -0.392 92 HG1 THR 12 HG1 THR 12 0.885 24.911 -0.113 93 HG21 THR 12 HG21 THR 12 -0.422 27.004 -1.031 94 HG22 THR 12 HG22 THR 12 -0.006 26.612 -2.700 95 HG23 THR 12 HG23 THR 12 0.604 28.093 -1.964 96 H GLU 13 H GLU 13 3.200 24.009 -3.138 97 HA GLU 13 HA GLU 13 2.080 24.418 -5.798 98 HB2 GLU 13 HB2 GLU 13 3.656 22.132 -4.625 99 HB3 GLU 13 HB3 GLU 13 3.053 22.177 -6.276 100 HG2 GLU 13 HG2 GLU 13 4.949 24.195 -5.096 101 HG3 GLU 13 HG3 GLU 13 5.435 22.807 -6.066 102 H ASN 14 H ASN 14 1.139 23.372 -2.830 103 HA ASN 14 HA ASN 14 -0.872 22.621 -2.035 104 HB2 ASN 14 HB2 ASN 14 -1.742 22.508 -4.939 105 HB3 ASN 14 HB3 ASN 14 -2.805 22.355 -3.546 106 HD21 ASN 14 HD21 ASN 14 -0.951 24.499 -5.512 107 HD22 ASN 14 HD22 ASN 14 -1.549 25.976 -4.850 108 H ASN 15 H ASN 15 1.358 20.890 -2.809 109 HA ASN 15 HA ASN 15 0.112 18.447 -3.682 110 HB2 ASN 15 HB2 ASN 15 2.923 19.158 -2.906 111 HB3 ASN 15 HB3 ASN 15 2.436 17.481 -3.138 112 HD21 ASN 15 HD21 ASN 15 4.275 19.243 -4.643 113 HD22 ASN 15 HD22 ASN 15 3.718 19.179 -6.280 114 H ASP 16 H ASP 16 -1.394 18.709 -1.903 115 HA ASP 16 HA ASP 16 -0.764 18.090 0.749 116 HB2 ASP 16 HB2 ASP 16 -2.967 18.989 0.010 117 HB3 ASP 16 HB3 ASP 16 -3.332 17.436 -0.728 118 H HIS 17 H HIS 17 -1.628 16.026 1.764 119 HA HIS 17 HA HIS 17 -0.577 13.773 0.212 120 HB2 HIS 17 HB2 HIS 17 0.361 12.807 2.254 121 HB3 HIS 17 HB3 HIS 17 1.032 14.402 1.956 122 HD1 HIS 17 HD1 HIS 17 0.479 16.252 3.666 123 HD2 HIS 17 HD2 HIS 17 -1.213 12.566 4.537 124 HE1 HIS 17 HE1 HIS 17 -0.360 16.447 6.018 125 HE2 HIS 17 HE2 HIS 17 -1.601 14.302 6.424 126 H ILE 18 H ILE 18 -1.532 11.826 0.458 127 HA ILE 18 HA ILE 18 -4.163 11.913 1.767 128 HB ILE 18 HB ILE 18 -5.066 10.494 -0.073 129 HG12 ILE 18 HG12 ILE 18 -2.573 11.319 -1.570 130 HG13 ILE 18 HG13 ILE 18 -2.816 9.719 -0.878 131 HG21 ILE 18 HG21 ILE 18 -4.039 13.203 -0.914 132 HG22 ILE 18 HG22 ILE 18 -5.505 12.894 0.013 133 HG23 ILE 18 HG23 ILE 18 -5.382 12.330 -1.652 134 HD11 ILE 18 HD11 ILE 18 -4.805 9.451 -2.317 135 HD12 ILE 18 HD12 ILE 18 -3.307 9.659 -3.216 136 HD13 ILE 18 HD13 ILE 18 -4.436 11.008 -3.066 137 H ASN 19 H ASN 19 -5.110 9.707 1.985 138 HA ASN 19 HA ASN 19 -3.039 7.866 2.954 139 HB2 ASN 19 HB2 ASN 19 -4.648 8.696 4.650 140 HB3 ASN 19 HB3 ASN 19 -5.978 8.083 3.681 141 HD21 ASN 19 HD21 ASN 19 -3.445 7.294 5.883 142 HD22 ASN 19 HD22 ASN 19 -3.894 5.648 6.132 143 H LEU 20 H LEU 20 -2.935 5.851 2.107 144 HA LEU 20 HA LEU 20 -5.104 5.075 0.288 145 HB2 LEU 20 HB2 LEU 20 -2.140 4.776 -0.169 146 HB3 LEU 20 HB3 LEU 20 -3.327 3.840 -1.050 147 HG LEU 20 HG LEU 20 -2.751 5.588 -2.502 148 HD11 LEU 20 HD11 LEU 20 -5.234 6.560 -1.118 149 HD12 LEU 20 HD12 LEU 20 -5.169 5.241 -2.283 150 HD13 LEU 20 HD13 LEU 20 -4.747 6.880 -2.782 151 HD21 LEU 20 HD21 LEU 20 -2.637 7.922 -1.879 152 HD22 LEU 20 HD22 LEU 20 -1.550 6.960 -0.877 153 HD23 LEU 20 HD23 LEU 20 -3.090 7.523 -0.223 154 H LYS 21 H LYS 21 -5.873 3.094 0.533 155 HA LYS 21 HA LYS 21 -4.429 1.363 2.403 156 HB2 LYS 21 HB2 LYS 21 -7.419 1.685 2.098 157 HB3 LYS 21 HB3 LYS 21 -6.620 0.544 3.176 158 HG2 LYS 21 HG2 LYS 21 -5.566 2.456 4.346 159 HG3 LYS 21 HG3 LYS 21 -6.487 3.546 3.316 160 HD2 LYS 21 HD2 LYS 21 -7.725 1.480 5.126 161 HD3 LYS 21 HD3 LYS 21 -7.488 3.169 5.569 162 HE2 LYS 21 HE2 LYS 21 -8.844 3.792 3.571 163 HE3 LYS 21 HE3 LYS 21 -9.209 2.082 3.345 164 HZ1 LYS 21 HZ1 LYS 21 -9.921 3.790 5.680 165 HZ2 LYS 21 HZ2 LYS 21 -10.130 2.115 5.655 166 HZ3 LYS 21 HZ3 LYS 21 -10.987 3.087 4.569 167 H VAL 22 H VAL 22 -4.408 -0.796 1.941 168 HA VAL 22 HA VAL 22 -5.321 -1.499 -0.765 169 HB VAL 22 HB VAL 22 -2.687 -2.354 0.419 170 HG11 VAL 22 HG11 VAL 22 -3.753 -2.849 -2.305 171 HG12 VAL 22 HG12 VAL 22 -3.653 -4.024 -0.999 172 HG13 VAL 22 HG13 VAL 22 -2.182 -3.337 -1.680 173 HG21 VAL 22 HG21 VAL 22 -2.903 -0.620 -1.956 174 HG22 VAL 22 HG22 VAL 22 -1.521 -0.907 -0.897 175 HG23 VAL 22 HG23 VAL 22 -2.882 0.063 -0.331 176 H ALA 23 H ALA 23 -6.263 -3.479 -0.946 177 HA ALA 23 HA ALA 23 -6.397 -5.073 1.536 178 HB1 ALA 23 HB1 ALA 23 -8.696 -5.654 0.961 179 HB2 ALA 23 HB2 ALA 23 -8.598 -4.645 -0.482 180 HB3 ALA 23 HB3 ALA 23 -8.506 -3.907 1.116 181 H GLY 24 H GLY 24 -5.861 -7.154 1.329 182 HA2 GLY 24 HA2 GLY 24 -5.325 -8.177 -1.364 183 HA3 GLY 24 HA3 GLY 24 -4.591 -8.772 0.120 184 H GLN 25 H GLN 25 -5.515 -10.677 -1.404 185 HA GLN 25 HA GLN 25 -8.307 -11.199 -1.088 186 HB2 GLN 25 HB2 GLN 25 -6.085 -13.066 -1.907 187 HB3 GLN 25 HB3 GLN 25 -7.809 -13.378 -2.078 188 HG2 GLN 25 HG2 GLN 25 -6.208 -11.245 -3.447 189 HG3 GLN 25 HG3 GLN 25 -6.923 -12.681 -4.189 190 HE21 GLN 25 HE21 GLN 25 -7.465 -9.501 -3.003 191 HE22 GLN 25 HE22 GLN 25 -9.097 -9.325 -3.528 192 H ASP 26 H ASP 26 -5.557 -11.694 0.829 193 HA ASP 26 HA ASP 26 -6.514 -13.862 2.397 194 HB2 ASP 26 HB2 ASP 26 -4.351 -11.820 2.716 195 HB3 ASP 26 HB3 ASP 26 -4.800 -12.829 4.087 196 H GLY 27 H GLY 27 -7.325 -10.546 2.249 197 HA2 GLY 27 HA2 GLY 27 -9.256 -9.688 3.316 198 HA3 GLY 27 HA3 GLY 27 -9.058 -10.894 4.584 199 H SER 28 H SER 28 -6.233 -9.356 3.579 200 HA SER 28 HA SER 28 -6.164 -7.864 6.075 201 HB2 SER 28 HB2 SER 28 -3.949 -8.917 4.323 202 HB3 SER 28 HB3 SER 28 -3.733 -8.058 5.842 203 HG SER 28 HG SER 28 -4.703 -9.729 6.929 204 H VAL 29 H VAL 29 -5.987 -5.719 6.031 205 HA VAL 29 HA VAL 29 -5.255 -4.432 3.493 206 HB VAL 29 HB VAL 29 -7.561 -3.991 3.761 207 HG11 VAL 29 HG11 VAL 29 -8.579 -3.124 5.788 208 HG12 VAL 29 HG12 VAL 29 -7.015 -3.202 6.605 209 HG13 VAL 29 HG13 VAL 29 -7.805 -4.684 6.059 210 HG21 VAL 29 HG21 VAL 29 -6.075 -1.593 4.829 211 HG22 VAL 29 HG22 VAL 29 -7.696 -1.561 4.134 212 HG23 VAL 29 HG23 VAL 29 -6.314 -2.004 3.130 213 H VAL 30 H VAL 30 -3.854 -2.763 3.532 214 HA VAL 30 HA VAL 30 -2.691 -2.059 6.152 215 HB VAL 30 HB VAL 30 -1.126 -1.979 3.579 216 HG11 VAL 30 HG11 VAL 30 0.801 -1.951 5.064 217 HG12 VAL 30 HG12 VAL 30 -0.261 -2.087 6.465 218 HG13 VAL 30 HG13 VAL 30 -0.310 -0.639 5.458 219 HG21 VAL 30 HG21 VAL 30 -1.224 -4.264 5.552 220 HG22 VAL 30 HG22 VAL 30 -0.099 -4.114 4.199 221 HG23 VAL 30 HG23 VAL 30 -1.826 -4.286 3.893 222 H GLN 31 H GLN 31 -2.448 0.101 6.568 223 HA GLN 31 HA GLN 31 -3.491 1.893 4.504 224 HB2 GLN 31 HB2 GLN 31 -3.209 2.415 7.471 225 HB3 GLN 31 HB3 GLN 31 -4.028 3.442 6.311 226 HG2 GLN 31 HG2 GLN 31 -5.824 2.398 7.277 227 HG3 GLN 31 HG3 GLN 31 -5.505 1.305 5.936 228 HE21 GLN 31 HE21 GLN 31 -4.846 -0.756 6.342 229 HE22 GLN 31 HE22 GLN 31 -4.767 -1.447 7.922 230 H PHE 32 H PHE 32 -2.381 3.700 3.824 231 HA PHE 32 HA PHE 32 0.303 4.161 4.960 232 HB2 PHE 32 HB2 PHE 32 -0.233 4.172 1.996 233 HB3 PHE 32 HB3 PHE 32 1.322 4.244 2.806 234 HD1 PHE 32 HD1 PHE 32 -1.493 2.072 1.899 235 HD2 PHE 32 HD2 PHE 32 2.438 2.256 3.516 236 HE1 PHE 32 HE1 PHE 32 -1.299 -0.352 1.677 237 HE2 PHE 32 HE2 PHE 32 2.642 -0.186 3.295 238 HZ PHE 32 HZ PHE 32 0.765 -1.492 2.372 239 HH31 ALY 33 HH31 ALY 33 -5.344 13.543 4.968 240 HH32 ALY 33 HH32 ALY 33 -6.921 12.873 5.439 241 HH33 ALY 33 HH33 ALY 33 -6.059 12.249 4.017 242 HZ ALY 33 HZ ALY 33 -3.662 11.705 4.716 243 HE3 ALY 33 HE3 ALY 33 -2.936 10.692 7.145 244 HE2 ALY 33 HE2 ALY 33 -3.808 9.375 6.362 245 HD3 ALY 33 HD3 ALY 33 -2.279 9.535 4.440 246 HD2 ALY 33 HD2 ALY 33 -1.405 10.823 5.266 247 HG3 ALY 33 HG3 ALY 33 -0.980 9.199 7.141 248 HG2 ALY 33 HG2 ALY 33 -1.627 7.938 6.085 249 HB3 ALY 33 HB3 ALY 33 0.632 9.750 5.301 250 HB2 ALY 33 HB2 ALY 33 0.871 8.196 6.086 251 HCA ALY 33 HCA ALY 33 -0.795 8.268 3.614 252 H ALY 33 H ALY 33 1.144 6.263 4.560 253 H ILE 34 H ILE 34 -0.076 9.191 1.803 254 HA ILE 34 HA ILE 34 2.773 9.844 1.555 255 HB ILE 34 HB ILE 34 2.953 8.978 -0.704 256 HG12 ILE 34 HG12 ILE 34 0.170 7.841 -0.375 257 HG13 ILE 34 HG13 ILE 34 0.533 9.305 -1.282 258 HG21 ILE 34 HG21 ILE 34 1.868 6.863 1.151 259 HG22 ILE 34 HG22 ILE 34 3.535 7.437 1.093 260 HG23 ILE 34 HG23 ILE 34 2.854 6.563 -0.280 261 HD11 ILE 34 HD11 ILE 34 1.606 6.563 -1.901 262 HD12 ILE 34 HD12 ILE 34 1.891 8.033 -2.834 263 HD13 ILE 34 HD13 ILE 34 0.267 7.354 -2.731 264 H LYS 35 H LYS 35 3.156 11.337 -0.312 265 HA LYS 35 HA LYS 35 1.129 13.367 -0.375 266 HB2 LYS 35 HB2 LYS 35 3.852 13.108 -1.604 267 HB3 LYS 35 HB3 LYS 35 2.791 14.458 -1.982 268 HG2 LYS 35 HG2 LYS 35 2.776 15.156 0.317 269 HG3 LYS 35 HG3 LYS 35 3.700 13.728 0.790 270 HD2 LYS 35 HD2 LYS 35 4.751 15.606 -1.272 271 HD3 LYS 35 HD3 LYS 35 4.949 15.973 0.447 272 HE2 LYS 35 HE2 LYS 35 5.866 13.452 -0.942 273 HE3 LYS 35 HE3 LYS 35 6.898 14.816 -0.520 274 HZ1 LYS 35 HZ1 LYS 35 6.325 14.441 1.814 275 HZ2 LYS 35 HZ2 LYS 35 7.094 13.107 1.129 276 HZ3 LYS 35 HZ3 LYS 35 5.423 13.078 1.383 277 H ARG 36 H ARG 36 0.152 14.222 -2.314 278 HA ARG 36 HA ARG 36 -0.834 12.188 -4.015 279 HB2 ARG 36 HB2 ARG 36 -2.047 13.950 -5.141 280 HB3 ARG 36 HB3 ARG 36 -2.141 14.186 -3.404 281 HG2 ARG 36 HG2 ARG 36 -1.075 16.163 -3.491 282 HG3 ARG 36 HG3 ARG 36 0.080 15.596 -4.703 283 HD2 ARG 36 HD2 ARG 36 -1.694 15.736 -6.379 284 HD3 ARG 36 HD3 ARG 36 -2.764 16.471 -5.181 285 HE ARG 36 HE ARG 36 -0.212 17.804 -5.624 286 HH11 ARG 36 HH11 ARG 36 -3.635 17.684 -6.452 287 HH12 ARG 36 HH12 ARG 36 -3.664 19.303 -7.063 288 HH21 ARG 36 HH21 ARG 36 -0.262 19.937 -6.467 289 HH22 ARG 36 HH22 ARG 36 -1.748 20.578 -7.079 290 H HIS 37 H HIS 37 1.978 14.120 -4.138 291 HA HIS 37 HA HIS 37 2.249 13.740 -7.035 292 HB2 HIS 37 HB2 HIS 37 2.551 16.044 -5.978 293 HB3 HIS 37 HB3 HIS 37 4.001 15.401 -5.223 294 HD1 HIS 37 HD1 HIS 37 6.060 15.956 -6.508 295 HD2 HIS 37 HD2 HIS 37 2.741 15.628 -8.986 296 HE1 HIS 37 HE1 HIS 37 6.881 16.504 -8.811 297 HE2 HIS 37 HE2 HIS 37 4.901 16.130 -10.313 298 H THR 38 H THR 38 2.828 12.183 -4.302 299 HA THR 38 HA THR 38 5.496 11.215 -4.919 300 HB THR 38 HB THR 38 3.693 11.235 -2.551 301 HG1 THR 38 HG1 THR 38 6.479 11.600 -2.918 302 HG21 THR 38 HG21 THR 38 4.133 8.833 -2.824 303 HG22 THR 38 HG22 THR 38 4.966 9.477 -1.406 304 HG23 THR 38 HG23 THR 38 5.867 9.156 -2.889 305 HA PRO 39 HA PRO 39 3.713 7.793 -7.126 306 HB2 PRO 39 HB2 PRO 39 5.843 6.084 -7.049 307 HB3 PRO 39 HB3 PRO 39 5.745 7.474 -8.135 308 HG2 PRO 39 HG2 PRO 39 7.174 7.211 -5.521 309 HG3 PRO 39 HG3 PRO 39 7.717 7.986 -7.019 310 HD2 PRO 39 HD2 PRO 39 6.763 9.387 -4.919 311 HD3 PRO 39 HD3 PRO 39 6.521 9.917 -6.598 312 H LEU 40 H LEU 40 2.465 6.121 -6.568 313 HA LEU 40 HA LEU 40 2.328 5.347 -3.857 314 HB2 LEU 40 HB2 LEU 40 0.567 3.675 -4.615 315 HB3 LEU 40 HB3 LEU 40 0.222 5.368 -4.854 316 HG LEU 40 HG LEU 40 -0.439 3.620 -6.664 317 HD11 LEU 40 HD11 LEU 40 -0.730 6.007 -6.890 318 HD12 LEU 40 HD12 LEU 40 -0.256 5.254 -8.410 319 HD13 LEU 40 HD13 LEU 40 0.925 6.162 -7.474 320 HD21 LEU 40 HD21 LEU 40 1.218 3.321 -8.439 321 HD22 LEU 40 HD22 LEU 40 1.720 2.550 -6.935 322 HD23 LEU 40 HD23 LEU 40 2.439 4.084 -7.423 323 H SER 41 H SER 41 4.237 4.172 -6.359 324 HA SER 41 HA SER 41 4.430 1.459 -5.972 325 HB2 SER 41 HB2 SER 41 6.914 1.847 -6.607 326 HB3 SER 41 HB3 SER 41 5.657 2.296 -7.756 327 HG SER 41 HG SER 41 6.535 4.176 -7.709 328 H LYS 42 H LYS 42 5.658 4.004 -3.976 329 HA LYS 42 HA LYS 42 7.532 2.563 -2.451 330 HB2 LYS 42 HB2 LYS 42 5.816 4.862 -1.493 331 HB3 LYS 42 HB3 LYS 42 7.386 4.374 -0.868 332 HG2 LYS 42 HG2 LYS 42 8.450 5.022 -2.953 333 HG3 LYS 42 HG3 LYS 42 6.883 5.448 -3.640 334 HD2 LYS 42 HD2 LYS 42 7.919 7.473 -2.932 335 HD3 LYS 42 HD3 LYS 42 6.635 7.120 -1.780 336 HE2 LYS 42 HE2 LYS 42 8.263 6.194 -0.229 337 HE3 LYS 42 HE3 LYS 42 9.555 6.490 -1.392 338 HZ1 LYS 42 HZ1 LYS 42 9.426 8.195 0.335 339 HZ2 LYS 42 HZ2 LYS 42 7.862 8.592 -0.159 340 HZ3 LYS 42 HZ3 LYS 42 9.169 8.846 -1.202 341 H LEU 43 H LEU 43 4.089 3.233 -1.910 342 HA LEU 43 HA LEU 43 3.978 1.667 0.473 343 HB2 LEU 43 HB2 LEU 43 1.679 2.173 0.582 344 HB3 LEU 43 HB3 LEU 43 2.447 3.600 -0.076 345 HG LEU 43 HG LEU 43 1.720 2.534 -2.381 346 HD11 LEU 43 HD11 LEU 43 -0.406 1.357 -2.241 347 HD12 LEU 43 HD12 LEU 43 -0.317 1.379 -0.480 348 HD13 LEU 43 HD13 LEU 43 0.861 0.452 -1.407 349 HD21 LEU 43 HD21 LEU 43 1.003 4.698 -1.560 350 HD22 LEU 43 HD22 LEU 43 -0.181 3.925 -0.504 351 HD23 LEU 43 HD23 LEU 43 -0.359 3.821 -2.256 352 H MET 44 H MET 44 3.414 1.044 -2.926 353 HA MET 44 HA MET 44 2.001 -1.376 -2.602 354 HB2 MET 44 HB2 MET 44 3.727 -0.494 -4.921 355 HB3 MET 44 HB3 MET 44 2.653 -1.882 -4.939 356 HG2 MET 44 HG2 MET 44 0.807 -0.196 -4.345 357 HG3 MET 44 HG3 MET 44 1.964 1.025 -4.870 358 HE1 MET 44 HE1 MET 44 3.467 -0.750 -7.187 359 HE2 MET 44 HE2 MET 44 3.082 0.960 -7.385 360 HE3 MET 44 HE3 MET 44 2.585 -0.203 -8.613 361 H LYS 45 H LYS 45 5.466 -0.718 -3.030 362 HA LYS 45 HA LYS 45 6.177 -3.465 -2.870 363 HB2 LYS 45 HB2 LYS 45 7.851 -0.995 -2.418 364 HB3 LYS 45 HB3 LYS 45 8.485 -2.633 -2.498 365 HG2 LYS 45 HG2 LYS 45 7.440 -2.767 -4.801 366 HG3 LYS 45 HG3 LYS 45 7.210 -1.024 -4.682 367 HD2 LYS 45 HD2 LYS 45 9.243 -1.380 -5.866 368 HD3 LYS 45 HD3 LYS 45 9.682 -0.836 -4.248 369 HE2 LYS 45 HE2 LYS 45 9.481 -3.772 -4.751 370 HE3 LYS 45 HE3 LYS 45 10.871 -2.912 -5.402 371 HZ1 LYS 45 HZ1 LYS 45 10.081 -3.078 -2.519 372 HZ2 LYS 45 HZ2 LYS 45 11.303 -2.081 -3.119 373 HZ3 LYS 45 HZ3 LYS 45 11.444 -3.750 -3.263 374 H ALA 46 H ALA 46 5.728 -0.909 -0.542 375 HA ALA 46 HA ALA 46 6.952 -2.201 1.661 376 HB1 ALA 46 HB1 ALA 46 5.729 -0.608 3.039 377 HB2 ALA 46 HB2 ALA 46 4.715 -0.176 1.661 378 HB3 ALA 46 HB3 ALA 46 6.439 0.201 1.640 379 H TYR 47 H TYR 47 3.709 -2.235 0.288 380 HA TYR 47 HA TYR 47 2.399 -3.720 2.246 381 HB2 TYR 47 HB2 TYR 47 1.156 -2.642 0.479 382 HB3 TYR 47 HB3 TYR 47 1.987 -3.591 -0.746 383 HD1 TYR 47 HD1 TYR 47 -0.627 -3.623 1.816 384 HD2 TYR 47 HD2 TYR 47 1.366 -5.908 -1.157 385 HE1 TYR 47 HE1 TYR 47 -2.425 -5.301 1.907 386 HE2 TYR 47 HE2 TYR 47 -0.417 -7.591 -1.081 387 HH TYR 47 HH TYR 47 -2.140 -8.365 0.576 388 H CYS 48 H CYS 48 3.956 -4.820 -0.759 389 HA CYS 48 HA CYS 48 3.565 -7.559 -0.368 390 HB2 CYS 48 HB2 CYS 48 5.834 -6.269 -1.897 391 HB3 CYS 48 HB3 CYS 48 5.159 -7.874 -2.140 392 HG CYS 48 HG CYS 48 3.630 -4.895 -2.831 393 H GLU 49 H GLU 49 6.296 -5.462 0.474 394 HA GLU 49 HA GLU 49 7.983 -7.539 1.343 395 HB2 GLU 49 HB2 GLU 49 8.002 -4.578 1.893 396 HB3 GLU 49 HB3 GLU 49 9.280 -5.674 2.412 397 HG2 GLU 49 HG2 GLU 49 9.772 -6.255 0.130 398 HG3 GLU 49 HG3 GLU 49 8.400 -5.315 -0.442 399 H ARG 50 H ARG 50 5.508 -5.683 3.026 400 HA ARG 50 HA ARG 50 6.345 -6.798 5.574 401 HB2 ARG 50 HB2 ARG 50 4.636 -5.478 6.604 402 HB3 ARG 50 HB3 ARG 50 5.413 -4.474 5.395 403 HG2 ARG 50 HG2 ARG 50 3.546 -4.886 3.865 404 HG3 ARG 50 HG3 ARG 50 2.762 -5.864 5.105 405 HD2 ARG 50 HD2 ARG 50 3.337 -2.901 5.190 406 HD3 ARG 50 HD3 ARG 50 1.779 -3.704 5.171 407 HE ARG 50 HE ARG 50 2.541 -4.655 7.415 408 HH11 ARG 50 HH11 ARG 50 3.529 -1.502 6.235 409 HH12 ARG 50 HH12 ARG 50 3.596 -0.782 7.801 410 HH21 ARG 50 HH21 ARG 50 2.649 -3.697 9.519 411 HH22 ARG 50 HH22 ARG 50 3.104 -2.035 9.668 412 H GLN 51 H GLN 51 3.806 -7.310 3.191 413 HA GLN 51 HA GLN 51 2.303 -9.111 4.834 414 HB2 GLN 51 HB2 GLN 51 2.167 -8.479 1.901 415 HB3 GLN 51 HB3 GLN 51 1.041 -9.551 2.739 416 HG2 GLN 51 HG2 GLN 51 1.526 -6.669 3.372 417 HG3 GLN 51 HG3 GLN 51 0.182 -7.292 2.419 418 HE21 GLN 51 HE21 GLN 51 1.599 -7.155 5.611 419 HE22 GLN 51 HE22 GLN 51 0.179 -7.616 6.478 420 H GLY 52 H GLY 52 4.949 -9.402 2.700 421 HA2 GLY 52 HA2 GLY 52 6.312 -11.300 2.520 422 HA3 GLY 52 HA3 GLY 52 5.013 -12.262 3.218 423 H LEU 53 H LEU 53 4.868 -10.043 0.496 424 HA LEU 53 HA LEU 53 4.191 -12.324 -1.231 425 HB2 LEU 53 HB2 LEU 53 2.855 -9.645 -1.038 426 HB3 LEU 53 HB3 LEU 53 2.783 -10.584 -2.511 427 HG LEU 53 HG LEU 53 0.778 -10.916 -1.326 428 HD11 LEU 53 HD11 LEU 53 1.686 -12.898 -2.419 429 HD12 LEU 53 HD12 LEU 53 0.735 -13.321 -0.998 430 HD13 LEU 53 HD13 LEU 53 2.494 -13.355 -0.919 431 HD21 LEU 53 HD21 LEU 53 0.630 -11.761 0.933 432 HD22 LEU 53 HD22 LEU 53 1.521 -10.238 0.881 433 HD23 LEU 53 HD23 LEU 53 2.390 -11.762 1.059 434 H SER 54 H SER 54 4.643 -11.956 -3.519 435 HA SER 54 HA SER 54 6.910 -10.131 -3.871 436 HB2 SER 54 HB2 SER 54 6.170 -12.623 -5.417 437 HB3 SER 54 HB3 SER 54 7.583 -11.626 -5.720 438 HG SER 54 HG SER 54 7.571 -12.234 -3.145 439 H MET 55 H MET 55 6.991 -8.813 -5.721 440 HA MET 55 HA MET 55 4.596 -7.720 -6.607 441 HB2 MET 55 HB2 MET 55 7.436 -7.505 -7.480 442 HB3 MET 55 HB3 MET 55 6.190 -6.876 -8.556 443 HG2 MET 55 HG2 MET 55 6.567 -6.129 -5.678 444 HG3 MET 55 HG3 MET 55 7.105 -5.181 -7.068 445 HE1 MET 55 HE1 MET 55 5.688 -3.245 -5.673 446 HE2 MET 55 HE2 MET 55 5.102 -4.485 -4.561 447 HE3 MET 55 HE3 MET 55 3.956 -3.402 -5.357 448 H ARG 56 H ARG 56 6.457 -10.358 -7.876 449 HA ARG 56 HA ARG 56 4.903 -10.506 -10.312 450 HB2 ARG 56 HB2 ARG 56 6.256 -12.558 -10.787 451 HB3 ARG 56 HB3 ARG 56 7.197 -11.095 -10.555 452 HG2 ARG 56 HG2 ARG 56 6.791 -12.773 -8.171 453 HG3 ARG 56 HG3 ARG 56 7.817 -13.434 -9.447 454 HD2 ARG 56 HD2 ARG 56 8.164 -10.744 -8.124 455 HD3 ARG 56 HD3 ARG 56 9.114 -12.186 -7.778 456 HE ARG 56 HE ARG 56 9.203 -11.576 -10.539 457 HH11 ARG 56 HH11 ARG 56 10.502 -10.528 -7.445 458 HH12 ARG 56 HH12 ARG 56 11.919 -9.821 -8.138 459 HH21 ARG 56 HH21 ARG 56 11.088 -10.645 -11.450 460 HH22 ARG 56 HH22 ARG 56 12.256 -9.891 -10.417 461 H GLN 57 H GLN 57 4.482 -11.508 -7.169 462 HA GLN 57 HA GLN 57 2.929 -13.892 -7.877 463 HB2 GLN 57 HB2 GLN 57 4.344 -12.992 -5.496 464 HB3 GLN 57 HB3 GLN 57 2.748 -13.641 -5.153 465 HG2 GLN 57 HG2 GLN 57 4.737 -15.235 -5.101 466 HG3 GLN 57 HG3 GLN 57 3.286 -15.744 -5.959 467 HE21 GLN 57 HE21 GLN 57 6.460 -14.395 -6.356 468 HE22 GLN 57 HE22 GLN 57 6.731 -14.999 -7.957 469 H ILE 58 H ILE 58 2.516 -10.598 -7.109 470 HA ILE 58 HA ILE 58 -0.381 -11.034 -7.016 471 HB ILE 58 HB ILE 58 -0.741 -9.491 -5.217 472 HG12 ILE 58 HG12 ILE 58 2.256 -9.080 -5.186 473 HG13 ILE 58 HG13 ILE 58 1.048 -7.915 -5.712 474 HG21 ILE 58 HG21 ILE 58 1.455 -11.382 -4.406 475 HG22 ILE 58 HG22 ILE 58 -0.253 -11.795 -4.555 476 HG23 ILE 58 HG23 ILE 58 0.273 -10.638 -3.328 477 HD11 ILE 58 HD11 ILE 58 1.889 -7.398 -3.495 478 HD12 ILE 58 HD12 ILE 58 1.349 -8.976 -2.918 479 HD13 ILE 58 HD13 ILE 58 0.167 -7.781 -3.458 480 H ARG 59 H ARG 59 -1.414 -8.712 -7.026 481 HA ARG 59 HA ARG 59 0.101 -6.744 -8.492 482 HB2 ARG 59 HB2 ARG 59 -1.920 -8.439 -9.847 483 HB3 ARG 59 HB3 ARG 59 -1.963 -6.721 -10.203 484 HG2 ARG 59 HG2 ARG 59 0.415 -8.540 -10.562 485 HG3 ARG 59 HG3 ARG 59 -0.640 -7.941 -11.844 486 HD2 ARG 59 HD2 ARG 59 0.006 -5.607 -11.066 487 HD3 ARG 59 HD3 ARG 59 1.270 -6.379 -10.114 488 HE ARG 59 HE ARG 59 1.066 -6.403 -13.052 489 HH11 ARG 59 HH11 ARG 59 2.994 -6.880 -10.143 490 HH12 ARG 59 HH12 ARG 59 4.493 -6.911 -11.003 491 HH21 ARG 59 HH21 ARG 59 3.067 -6.476 -14.174 492 HH22 ARG 59 HH22 ARG 59 4.536 -6.684 -13.282 493 H PHE 60 H PHE 60 -0.752 -4.727 -8.428 494 HA PHE 60 HA PHE 60 -3.004 -4.360 -6.604 495 HB2 PHE 60 HB2 PHE 60 -0.877 -2.413 -7.539 496 HB3 PHE 60 HB3 PHE 60 -2.160 -2.039 -6.391 497 HD1 PHE 60 HD1 PHE 60 0.726 -4.311 -6.918 498 HD2 PHE 60 HD2 PHE 60 -1.785 -2.342 -4.086 499 HE1 PHE 60 HE1 PHE 60 2.185 -5.064 -5.096 500 HE2 PHE 60 HE2 PHE 60 -0.318 -3.093 -2.275 501 HZ PHE 60 HZ PHE 60 1.661 -4.458 -2.775 502 H ARG 61 H ARG 61 -4.765 -3.156 -7.204 503 HA ARG 61 HA ARG 61 -4.900 -2.122 -9.931 504 HB2 ARG 61 HB2 ARG 61 -5.628 -4.374 -10.201 505 HB3 ARG 61 HB3 ARG 61 -6.649 -4.293 -8.778 506 HG2 ARG 61 HG2 ARG 61 -7.273 -2.462 -11.024 507 HG3 ARG 61 HG3 ARG 61 -7.601 -4.181 -11.249 508 HD2 ARG 61 HD2 ARG 61 -8.722 -3.942 -8.882 509 HD3 ARG 61 HD3 ARG 61 -8.823 -2.241 -9.339 510 HE ARG 61 HE ARG 61 -9.796 -3.719 -11.475 511 HH11 ARG 61 HH11 ARG 61 -10.690 -3.095 -8.114 512 HH12 ARG 61 HH12 ARG 61 -12.364 -3.440 -8.391 513 HH21 ARG 61 HH21 ARG 61 -12.004 -4.158 -11.802 514 HH22 ARG 61 HH22 ARG 61 -13.113 -4.033 -10.482 515 H PHE 62 H PHE 62 -6.212 -0.407 -10.170 516 HA PHE 62 HA PHE 62 -8.092 0.309 -8.073 517 HB2 PHE 62 HB2 PHE 62 -5.942 1.360 -7.404 518 HB3 PHE 62 HB3 PHE 62 -5.877 2.195 -8.952 519 HD1 PHE 62 HD1 PHE 62 -7.667 1.923 -5.758 520 HD2 PHE 62 HD2 PHE 62 -7.159 4.157 -9.340 521 HE1 PHE 62 HE1 PHE 62 -8.955 3.773 -4.786 522 HE2 PHE 62 HE2 PHE 62 -8.447 6.011 -8.375 523 HZ PHE 62 HZ PHE 62 -9.344 5.820 -6.094 524 H ASP 63 H ASP 63 -9.656 1.762 -8.787 525 HA ASP 63 HA ASP 63 -11.222 2.514 -10.309 526 HB2 ASP 63 HB2 ASP 63 -8.799 3.789 -10.804 527 HB3 ASP 63 HB3 ASP 63 -9.389 3.334 -12.392 528 H GLY 64 H GLY 64 -10.099 -0.254 -10.674 529 HA2 GLY 64 HA2 GLY 64 -10.809 -1.953 -12.042 530 HA3 GLY 64 HA3 GLY 64 -11.456 -0.772 -13.167 531 H GLN 65 H GLN 65 -8.319 0.098 -12.500 532 HA GLN 65 HA GLN 65 -7.294 -1.494 -14.749 533 HB2 GLN 65 HB2 GLN 65 -5.849 0.470 -15.272 534 HB3 GLN 65 HB3 GLN 65 -7.564 0.763 -15.506 535 HG2 GLN 65 HG2 GLN 65 -7.675 2.001 -13.449 536 HG3 GLN 65 HG3 GLN 65 -5.997 1.614 -13.082 537 HE21 GLN 65 HE21 GLN 65 -5.440 3.776 -12.979 538 HE22 GLN 65 HE22 GLN 65 -5.318 4.772 -14.385 539 HA PRO 66 HA PRO 66 -4.002 -2.787 -12.090 540 HB2 PRO 66 HB2 PRO 66 -1.965 -3.019 -13.898 541 HB3 PRO 66 HB3 PRO 66 -3.274 -4.198 -13.764 542 HG2 PRO 66 HG2 PRO 66 -2.945 -1.946 -15.707 543 HG3 PRO 66 HG3 PRO 66 -3.499 -3.605 -15.998 544 HD2 PRO 66 HD2 PRO 66 -5.215 -1.536 -15.800 545 HD3 PRO 66 HD3 PRO 66 -5.630 -3.165 -15.231 546 H ILE 67 H ILE 67 -2.434 -1.815 -10.876 547 HA ILE 67 HA ILE 67 -1.814 0.952 -11.535 548 HB ILE 67 HB ILE 67 -1.116 -0.613 -9.034 549 HG12 ILE 67 HG12 ILE 67 -3.448 1.244 -9.550 550 HG13 ILE 67 HG13 ILE 67 -3.546 -0.502 -9.345 551 HG21 ILE 67 HG21 ILE 67 0.278 1.357 -9.382 552 HG22 ILE 67 HG22 ILE 67 -0.817 1.595 -8.019 553 HG23 ILE 67 HG23 ILE 67 -1.164 2.357 -9.572 554 HD11 ILE 67 HD11 ILE 67 -4.203 0.566 -7.308 555 HD12 ILE 67 HD12 ILE 67 -2.722 1.520 -7.278 556 HD13 ILE 67 HD13 ILE 67 -2.651 -0.227 -7.050 557 H ASN 68 H ASN 68 0.295 1.738 -11.787 558 HA ASN 68 HA ASN 68 2.348 -0.325 -12.196 559 HB2 ASN 68 HB2 ASN 68 2.898 2.327 -13.334 560 HB3 ASN 68 HB3 ASN 68 3.076 0.739 -14.063 561 HD21 ASN 68 HD21 ASN 68 1.071 3.493 -13.658 562 HD22 ASN 68 HD22 ASN 68 -0.131 3.055 -14.799 563 H GLU 69 H GLU 69 4.517 0.313 -11.576 564 HA GLU 69 HA GLU 69 4.500 1.637 -9.064 565 HB2 GLU 69 HB2 GLU 69 6.893 1.216 -9.017 566 HB3 GLU 69 HB3 GLU 69 6.051 -0.212 -9.598 567 HG2 GLU 69 HG2 GLU 69 6.626 0.412 -11.897 568 HG3 GLU 69 HG3 GLU 69 7.511 1.804 -11.279 569 H THR 70 H THR 70 4.855 2.652 -12.287 570 HA THR 70 HA THR 70 6.253 5.102 -11.659 571 HB THR 70 HB THR 70 5.872 5.466 -14.165 572 HG1 THR 70 HG1 THR 70 4.961 3.821 -15.278 573 HG21 THR 70 HG21 THR 70 7.382 3.032 -13.211 574 HG22 THR 70 HG22 THR 70 7.994 4.686 -13.220 575 HG23 THR 70 HG23 THR 70 7.652 3.863 -14.744 576 H ASP 71 H ASP 71 3.174 4.244 -11.088 577 HA ASP 71 HA ASP 71 1.926 6.567 -12.341 578 HB2 ASP 71 HB2 ASP 71 0.940 4.104 -12.114 579 HB3 ASP 71 HB3 ASP 71 0.416 4.718 -10.553 580 H THR 72 H THR 72 0.825 8.129 -11.117 581 HA THR 72 HA THR 72 1.629 8.286 -8.281 582 HB THR 72 HB THR 72 0.941 10.704 -9.931 583 HG1 THR 72 HG1 THR 72 2.842 9.064 -10.613 584 HG21 THR 72 HG21 THR 72 1.224 11.064 -7.561 585 HG22 THR 72 HG22 THR 72 2.597 11.768 -8.416 586 HG23 THR 72 HG23 THR 72 2.775 10.226 -7.583 587 HA PRO 73 HA PRO 73 -2.625 7.978 -7.095 588 HB2 PRO 73 HB2 PRO 73 -2.630 9.904 -5.086 589 HB3 PRO 73 HB3 PRO 73 -2.129 8.219 -4.886 590 HG2 PRO 73 HG2 PRO 73 -0.453 10.644 -5.435 591 HG3 PRO 73 HG3 PRO 73 -0.154 9.315 -4.284 592 HD2 PRO 73 HD2 PRO 73 1.115 9.415 -6.569 593 HD3 PRO 73 HD3 PRO 73 0.461 7.855 -6.011 594 H ALA 74 H ALA 74 -1.288 11.168 -7.658 595 HA ALA 74 HA ALA 74 -3.737 12.560 -7.689 596 HB1 ALA 74 HB1 ALA 74 -2.441 14.408 -8.596 597 HB2 ALA 74 HB2 ALA 74 -1.100 13.299 -8.923 598 HB3 ALA 74 HB3 ALA 74 -1.588 13.622 -7.262 599 H GLN 75 H GLN 75 -2.181 10.588 -10.024 600 HA GLN 75 HA GLN 75 -3.347 11.788 -12.337 601 HB2 GLN 75 HB2 GLN 75 -1.784 9.337 -11.757 602 HB3 GLN 75 HB3 GLN 75 -2.783 9.321 -13.199 603 HG2 GLN 75 HG2 GLN 75 -0.422 9.999 -13.555 604 HG3 GLN 75 HG3 GLN 75 -1.623 11.149 -14.137 605 HE21 GLN 75 HE21 GLN 75 -1.812 13.128 -13.132 606 HE22 GLN 75 HE22 GLN 75 -0.633 13.737 -12.027 607 H LEU 76 H LEU 76 -4.270 9.179 -10.146 608 HA LEU 76 HA LEU 76 -6.524 8.481 -11.829 609 HB2 LEU 76 HB2 LEU 76 -6.020 7.395 -9.081 610 HB3 LEU 76 HB3 LEU 76 -6.843 6.633 -10.425 611 HG LEU 76 HG LEU 76 -4.338 6.899 -11.451 612 HD11 LEU 76 HD11 LEU 76 -2.723 6.283 -9.780 613 HD12 LEU 76 HD12 LEU 76 -3.971 6.265 -8.537 614 HD13 LEU 76 HD13 LEU 76 -3.511 7.791 -9.296 615 HD21 LEU 76 HD21 LEU 76 -5.295 4.599 -9.754 616 HD22 LEU 76 HD22 LEU 76 -4.088 4.535 -11.038 617 HD23 LEU 76 HD23 LEU 76 -5.771 4.888 -11.427 618 H GLU 77 H GLU 77 -5.871 10.856 -9.666 619 HA GLU 77 HA GLU 77 -7.077 12.310 -8.411 620 HB2 GLU 77 HB2 GLU 77 -9.347 11.210 -10.076 621 HB3 GLU 77 HB3 GLU 77 -9.476 12.618 -9.034 622 HG2 GLU 77 HG2 GLU 77 -7.748 13.739 -10.364 623 HG3 GLU 77 HG3 GLU 77 -7.677 12.333 -11.426 624 H MET 78 H MET 78 -6.580 9.743 -7.335 625 HA MET 78 HA MET 78 -8.940 8.781 -6.043 626 HB2 MET 78 HB2 MET 78 -7.466 7.217 -4.925 627 HB3 MET 78 HB3 MET 78 -7.056 7.309 -6.631 628 HG2 MET 78 HG2 MET 78 -5.334 9.097 -5.751 629 HG3 MET 78 HG3 MET 78 -5.510 8.174 -4.260 630 HE1 MET 78 HE1 MET 78 -5.320 5.391 -4.347 631 HE2 MET 78 HE2 MET 78 -4.627 4.541 -5.728 632 HE3 MET 78 HE3 MET 78 -6.213 5.298 -5.867 633 H GLU 79 H GLU 79 -9.101 8.631 -3.657 634 HA GLU 79 HA GLU 79 -8.302 11.204 -2.454 635 HB2 GLU 79 HB2 GLU 79 -10.398 11.171 -1.241 636 HB3 GLU 79 HB3 GLU 79 -10.709 11.026 -2.967 637 HG2 GLU 79 HG2 GLU 79 -10.748 8.487 -2.519 638 HG3 GLU 79 HG3 GLU 79 -10.932 8.948 -0.833 639 H ASP 80 H ASP 80 -8.261 11.128 0.015 640 HA ASP 80 HA ASP 80 -6.633 9.087 0.920 641 HB2 ASP 80 HB2 ASP 80 -6.906 10.006 3.134 642 HB3 ASP 80 HB3 ASP 80 -6.786 11.327 1.977 643 H GLU 81 H GLU 81 -6.896 7.340 2.056 644 HA GLU 81 HA GLU 81 -7.731 5.491 2.946 645 HB2 GLU 81 HB2 GLU 81 -10.170 7.189 3.356 646 HB3 GLU 81 HB3 GLU 81 -10.082 5.510 3.871 647 HG2 GLU 81 HG2 GLU 81 -7.854 6.359 5.009 648 HG3 GLU 81 HG3 GLU 81 -8.705 7.901 4.942 649 H ASP 82 H ASP 82 -8.187 6.326 0.031 650 HA ASP 82 HA ASP 82 -10.390 4.738 -0.783 651 HB2 ASP 82 HB2 ASP 82 -8.832 6.503 -2.109 652 HB3 ASP 82 HB3 ASP 82 -8.136 4.989 -2.686 653 H THR 83 H THR 83 -10.226 2.672 -2.003 654 HA THR 83 HA THR 83 -8.302 0.986 -0.562 655 HB THR 83 HB THR 83 -10.930 0.092 -1.730 656 HG1 THR 83 HG1 THR 83 -10.642 1.761 0.195 657 HG21 THR 83 HG21 THR 83 -9.099 -1.113 0.359 658 HG22 THR 83 HG22 THR 83 -9.281 -1.691 -1.296 659 HG23 THR 83 HG23 THR 83 -10.638 -1.790 -0.175 660 H ILE 84 H ILE 84 -6.916 -0.249 -1.581 661 HA ILE 84 HA ILE 84 -6.876 -0.335 -4.496 662 HB ILE 84 HB ILE 84 -4.790 -1.286 -2.496 663 HG12 ILE 84 HG12 ILE 84 -5.287 1.170 -2.356 664 HG13 ILE 84 HG13 ILE 84 -3.631 0.785 -2.796 665 HG21 ILE 84 HG21 ILE 84 -4.504 -2.354 -4.624 666 HG22 ILE 84 HG22 ILE 84 -3.261 -1.110 -4.454 667 HG23 ILE 84 HG23 ILE 84 -4.667 -0.817 -5.475 668 HD11 ILE 84 HD11 ILE 84 -5.816 1.656 -4.655 669 HD12 ILE 84 HD12 ILE 84 -4.162 1.248 -5.121 670 HD13 ILE 84 HD13 ILE 84 -4.469 2.638 -4.078 671 H ASP 85 H ASP 85 -6.963 -2.267 -5.622 672 HA ASP 85 HA ASP 85 -7.855 -4.608 -4.092 673 HB2 ASP 85 HB2 ASP 85 -7.960 -4.024 -7.045 674 HB3 ASP 85 HB3 ASP 85 -8.595 -5.477 -6.284 675 H VAL 86 H VAL 86 -6.327 -6.078 -3.637 676 HA VAL 86 HA VAL 86 -4.200 -6.497 -5.630 677 HB VAL 86 HB VAL 86 -4.165 -6.941 -2.642 678 HG11 VAL 86 HG11 VAL 86 -2.092 -7.808 -4.659 679 HG12 VAL 86 HG12 VAL 86 -3.137 -8.888 -3.737 680 HG13 VAL 86 HG13 VAL 86 -1.932 -7.905 -2.905 681 HG21 VAL 86 HG21 VAL 86 -3.672 -4.701 -3.450 682 HG22 VAL 86 HG22 VAL 86 -2.408 -5.360 -4.491 683 HG23 VAL 86 HG23 VAL 86 -2.251 -5.464 -2.738 684 H PHE 87 H PHE 87 -3.939 -8.418 -6.502 685 HA PHE 87 HA PHE 87 -5.532 -10.642 -5.472 686 HB2 PHE 87 HB2 PHE 87 -6.056 -11.264 -7.889 687 HB3 PHE 87 HB3 PHE 87 -6.935 -9.895 -7.223 688 HD1 PHE 87 HD1 PHE 87 -6.350 -7.607 -7.914 689 HD2 PHE 87 HD2 PHE 87 -4.572 -11.018 -9.728 690 HE1 PHE 87 HE1 PHE 87 -5.632 -6.222 -9.795 691 HE2 PHE 87 HE2 PHE 87 -3.851 -9.630 -11.627 692 HZ PHE 87 HZ PHE 87 -4.382 -7.226 -11.664 693 H GLN 88 H GLN 88 -4.687 -12.719 -5.916 694 HA GLN 88 HA GLN 88 -1.855 -12.749 -6.049 695 HB2 GLN 88 HB2 GLN 88 -3.386 -14.299 -4.721 696 HB3 GLN 88 HB3 GLN 88 -3.686 -15.128 -6.241 697 HG2 GLN 88 HG2 GLN 88 -1.993 -16.422 -5.507 698 HG3 GLN 88 HG3 GLN 88 -1.027 -15.166 -6.278 699 HE21 GLN 88 HE21 GLN 88 -1.692 -13.232 -4.132 700 HE22 GLN 88 HE22 GLN 88 -0.718 -13.701 -2.783 701 H GLN 89 H GLN 89 -0.840 -12.462 -7.880 702 HA GLN 89 HA GLN 89 -1.845 -13.533 -10.404 703 HB2 GLN 89 HB2 GLN 89 0.318 -11.599 -9.663 704 HB3 GLN 89 HB3 GLN 89 0.356 -12.386 -11.232 705 HG2 GLN 89 HG2 GLN 89 -1.964 -10.776 -10.199 706 HG3 GLN 89 HG3 GLN 89 -0.685 -10.141 -11.233 707 HE21 GLN 89 HE21 GLN 89 -2.021 -9.660 -12.933 708 HE22 GLN 89 HE22 GLN 89 -2.792 -10.867 -13.900 709 H GLN 90 H GLN 90 -0.744 -15.177 -8.170 710 HA GLN 90 HA GLN 90 1.755 -16.193 -9.126 711 HB2 GLN 90 HB2 GLN 90 1.115 -16.261 -6.722 712 HB3 GLN 90 HB3 GLN 90 -0.153 -17.410 -7.125 713 HG2 GLN 90 HG2 GLN 90 1.636 -18.918 -8.025 714 HG3 GLN 90 HG3 GLN 90 2.817 -17.801 -7.336 715 HE21 GLN 90 HE21 GLN 90 3.042 -17.681 -5.113 716 HE22 GLN 90 HE22 GLN 90 2.374 -18.867 -4.049 717 H THR 91 H THR 91 1.803 -17.274 -10.975 718 HA THR 91 HA THR 91 -0.450 -18.582 -12.080 719 HB THR 91 HB THR 91 1.427 -17.598 -13.427 720 HG1 THR 91 HG1 THR 91 0.055 -19.059 -14.444 721 HG21 THR 91 HG21 THR 91 3.460 -18.946 -13.760 722 HG22 THR 91 HG22 THR 91 2.920 -20.059 -12.505 723 HG23 THR 91 HG23 THR 91 3.313 -18.392 -12.093 724 H GLY 92 H GLY 92 -0.627 -20.883 -12.529 725 HA2 GLY 92 HA2 GLY 92 -0.655 -23.084 -11.856 726 HA3 GLY 92 HA3 GLY 92 0.974 -22.822 -11.248 727 H GLY 93 H GLY 93 -2.230 -21.556 -10.362 728 HA2 GLY 93 HA2 GLY 93 -2.656 -22.895 -8.039 729 HA3 GLY 93 HA3 GLY 93 -1.564 -21.589 -7.589 Start of MODEL 18 1 H MET 1 H MET 1 7.929 44.382 2.081 2 HA MET 1 HA MET 1 7.076 45.088 4.231 3 HB2 MET 1 HB2 MET 1 4.954 46.342 4.303 4 HB3 MET 1 HB3 MET 1 6.266 47.298 3.632 5 HG2 MET 1 HG2 MET 1 4.357 45.807 1.880 6 HG3 MET 1 HG3 MET 1 3.971 47.400 2.506 7 HE1 MET 1 HE1 MET 1 6.740 48.899 2.508 8 HE2 MET 1 HE2 MET 1 5.237 49.588 1.896 9 HE3 MET 1 HE3 MET 1 6.699 49.646 0.912 10 H ALA 2 H ALA 2 5.725 43.993 1.266 11 HA ALA 2 HA ALA 2 4.565 41.688 2.566 12 HB1 ALA 2 HB1 ALA 2 2.317 41.983 1.687 13 HB2 ALA 2 HB2 ALA 2 2.777 43.520 0.961 14 HB3 ALA 2 HB3 ALA 2 2.736 43.354 2.714 15 H ASP 3 H ASP 3 6.616 42.487 0.644 16 HA ASP 3 HA ASP 3 5.760 40.909 -1.684 17 HB2 ASP 3 HB2 ASP 3 7.284 42.429 -2.993 18 HB3 ASP 3 HB3 ASP 3 5.821 43.196 -2.380 19 H GLU 4 H GLU 4 7.524 40.865 0.946 20 HA GLU 4 HA GLU 4 10.157 40.408 0.357 21 HB2 GLU 4 HB2 GLU 4 8.880 38.679 2.411 22 HB3 GLU 4 HB3 GLU 4 10.360 39.619 2.498 23 HG2 GLU 4 HG2 GLU 4 7.537 40.628 2.744 24 HG3 GLU 4 HG3 GLU 4 8.764 40.556 4.002 25 H LYS 5 H LYS 5 10.923 39.082 -1.139 26 HA LYS 5 HA LYS 5 10.183 36.250 -0.952 27 HB2 LYS 5 HB2 LYS 5 9.044 37.198 -2.931 28 HB3 LYS 5 HB3 LYS 5 10.597 37.738 -3.554 29 HG2 LYS 5 HG2 LYS 5 11.350 35.389 -3.642 30 HG3 LYS 5 HG3 LYS 5 9.753 34.880 -3.098 31 HD2 LYS 5 HD2 LYS 5 9.853 34.633 -5.479 32 HD3 LYS 5 HD3 LYS 5 8.793 35.993 -5.108 33 HE2 LYS 5 HE2 LYS 5 10.528 37.564 -5.658 34 HE3 LYS 5 HE3 LYS 5 11.701 36.261 -5.854 35 HZ1 LYS 5 HZ1 LYS 5 9.284 36.649 -7.531 36 HZ2 LYS 5 HZ2 LYS 5 10.458 35.453 -7.739 37 HZ3 LYS 5 HZ3 LYS 5 10.859 37.079 -7.974 38 HA PRO 6 HA PRO 6 14.619 36.044 -0.608 39 HB2 PRO 6 HB2 PRO 6 14.829 33.339 -0.516 40 HB3 PRO 6 HB3 PRO 6 14.319 34.302 0.872 41 HG2 PRO 6 HG2 PRO 6 12.667 32.770 -1.091 42 HG3 PRO 6 HG3 PRO 6 12.492 32.874 0.671 43 HD2 PRO 6 HD2 PRO 6 10.941 34.300 -1.032 44 HD3 PRO 6 HD3 PRO 6 11.409 34.915 0.567 45 H LYS 7 H LYS 7 16.398 35.200 -1.857 46 HA LYS 7 HA LYS 7 15.731 35.093 -4.646 47 HB2 LYS 7 HB2 LYS 7 18.332 34.882 -4.858 48 HB3 LYS 7 HB3 LYS 7 17.603 36.406 -4.395 49 HG2 LYS 7 HG2 LYS 7 19.559 35.991 -3.050 50 HG3 LYS 7 HG3 LYS 7 18.127 35.910 -2.033 51 HD2 LYS 7 HD2 LYS 7 18.191 33.467 -2.139 52 HD3 LYS 7 HD3 LYS 7 19.618 33.549 -3.175 53 HE2 LYS 7 HE2 LYS 7 20.236 33.076 -0.856 54 HE3 LYS 7 HE3 LYS 7 20.871 34.635 -1.376 55 HZ1 LYS 7 HZ1 LYS 7 18.406 34.254 0.233 56 HZ2 LYS 7 HZ2 LYS 7 19.101 35.733 -0.195 57 HZ3 LYS 7 HZ3 LYS 7 19.910 34.696 0.858 58 H GLU 8 H GLU 8 16.353 32.721 -2.242 59 HA GLU 8 HA GLU 8 16.391 30.670 -4.340 60 HB2 GLU 8 HB2 GLU 8 18.331 30.950 -2.074 61 HB3 GLU 8 HB3 GLU 8 17.982 29.371 -2.765 62 HG2 GLU 8 HG2 GLU 8 19.015 31.745 -4.298 63 HG3 GLU 8 HG3 GLU 8 20.002 30.411 -3.698 64 H GLY 9 H GLY 9 16.152 28.412 -3.242 65 HA2 GLY 9 HA2 GLY 9 15.088 27.008 -1.716 66 HA3 GLY 9 HA3 GLY 9 14.555 28.418 -0.819 67 H VAL 10 H VAL 10 13.303 29.785 -2.919 68 HA VAL 10 HA VAL 10 11.241 30.087 -3.734 69 HB VAL 10 HB VAL 10 11.623 27.252 -4.649 70 HG11 VAL 10 HG11 VAL 10 9.274 27.928 -4.795 71 HG12 VAL 10 HG12 VAL 10 9.975 27.813 -6.411 72 HG13 VAL 10 HG13 VAL 10 9.738 29.393 -5.660 73 HG21 VAL 10 HG21 VAL 10 12.373 28.264 -6.759 74 HG22 VAL 10 HG22 VAL 10 13.408 28.708 -5.398 75 HG23 VAL 10 HG23 VAL 10 12.228 29.859 -6.026 76 H LYS 11 H LYS 11 10.659 30.165 -1.514 77 HA LYS 11 HA LYS 11 9.470 28.449 0.139 78 HB2 LYS 11 HB2 LYS 11 7.659 30.323 0.578 79 HB3 LYS 11 HB3 LYS 11 9.341 30.550 1.013 80 HG2 LYS 11 HG2 LYS 11 8.589 32.564 -0.001 81 HG3 LYS 11 HG3 LYS 11 9.658 31.770 -1.153 82 HD2 LYS 11 HD2 LYS 11 7.773 32.603 -2.361 83 HD3 LYS 11 HD3 LYS 11 7.630 30.848 -2.278 84 HE2 LYS 11 HE2 LYS 11 5.470 31.903 -1.862 85 HE3 LYS 11 HE3 LYS 11 6.038 31.065 -0.422 86 HZ1 LYS 11 HZ1 LYS 11 6.782 33.196 0.466 87 HZ2 LYS 11 HZ2 LYS 11 5.128 33.226 0.123 88 HZ3 LYS 11 HZ3 LYS 11 6.221 33.985 -0.918 89 H THR 12 H THR 12 7.956 26.985 0.197 90 HA THR 12 HA THR 12 5.446 27.258 -1.132 91 HB THR 12 HB THR 12 6.876 26.481 -3.028 92 HG1 THR 12 HG1 THR 12 5.252 25.301 -3.716 93 HG21 THR 12 HG21 THR 12 8.508 25.164 -1.753 94 HG22 THR 12 HG22 THR 12 7.756 24.183 -3.010 95 HG23 THR 12 HG23 THR 12 7.250 24.002 -1.330 96 H GLU 13 H GLU 13 4.140 25.151 -0.791 97 HA GLU 13 HA GLU 13 4.767 24.166 1.904 98 HB2 GLU 13 HB2 GLU 13 2.155 24.129 0.388 99 HB3 GLU 13 HB3 GLU 13 2.389 23.521 2.018 100 HG2 GLU 13 HG2 GLU 13 2.981 25.782 2.763 101 HG3 GLU 13 HG3 GLU 13 2.700 26.378 1.125 102 H ASN 14 H ASN 14 2.972 22.789 -0.838 103 HA ASN 14 HA ASN 14 2.847 20.668 -1.709 104 HB2 ASN 14 HB2 ASN 14 5.786 20.856 -1.068 105 HB3 ASN 14 HB3 ASN 14 5.104 19.388 -1.754 106 HD21 ASN 14 HD21 ASN 14 4.059 22.651 -2.526 107 HD22 ASN 14 HD22 ASN 14 4.605 22.634 -4.164 108 H ASN 15 H ASN 15 1.974 20.876 0.939 109 HA ASN 15 HA ASN 15 2.989 18.464 2.274 110 HB2 ASN 15 HB2 ASN 15 1.092 20.591 3.293 111 HB3 ASN 15 HB3 ASN 15 1.714 19.240 4.228 112 HD21 ASN 15 HD21 ASN 15 4.392 19.393 3.143 113 HD22 ASN 15 HD22 ASN 15 5.118 20.792 3.837 114 H ASP 16 H ASP 16 1.032 18.916 -0.078 115 HA ASP 16 HA ASP 16 -1.502 17.969 0.708 116 HB2 ASP 16 HB2 ASP 16 -1.685 17.411 -1.803 117 HB3 ASP 16 HB3 ASP 16 -1.456 19.094 -1.345 118 H HIS 17 H HIS 17 -1.328 16.162 1.970 119 HA HIS 17 HA HIS 17 -0.474 13.756 0.537 120 HB2 HIS 17 HB2 HIS 17 0.391 12.786 2.565 121 HB3 HIS 17 HB3 HIS 17 1.135 14.359 2.331 122 HD1 HIS 17 HD1 HIS 17 0.361 16.275 3.966 123 HD2 HIS 17 HD2 HIS 17 -1.070 12.477 4.883 124 HE1 HIS 17 HE1 HIS 17 -0.473 16.422 6.334 125 HE2 HIS 17 HE2 HIS 17 -1.113 14.063 6.932 126 H ILE 18 H ILE 18 -1.553 11.866 0.877 127 HA ILE 18 HA ILE 18 -4.136 12.106 2.240 128 HB ILE 18 HB ILE 18 -5.160 10.759 0.394 129 HG12 ILE 18 HG12 ILE 18 -2.641 11.482 -1.118 130 HG13 ILE 18 HG13 ILE 18 -3.013 9.877 -0.503 131 HG21 ILE 18 HG21 ILE 18 -4.046 13.438 -0.417 132 HG22 ILE 18 HG22 ILE 18 -5.514 13.163 0.523 133 HG23 ILE 18 HG23 ILE 18 -5.429 12.632 -1.158 134 HD11 ILE 18 HD11 ILE 18 -3.492 10.013 -2.863 135 HD12 ILE 18 HD12 ILE 18 -4.561 11.391 -2.596 136 HD13 ILE 18 HD13 ILE 18 -4.990 9.804 -1.959 137 H ASN 19 H ASN 19 -5.146 9.860 2.418 138 HA ASN 19 HA ASN 19 -3.048 7.964 3.222 139 HB2 ASN 19 HB2 ASN 19 -4.468 8.680 5.077 140 HB3 ASN 19 HB3 ASN 19 -5.911 8.272 4.164 141 HD21 ASN 19 HD21 ASN 19 -3.183 7.002 5.919 142 HD22 ASN 19 HD22 ASN 19 -3.811 5.410 6.120 143 H LEU 20 H LEU 20 -2.856 6.169 2.088 144 HA LEU 20 HA LEU 20 -5.127 5.356 0.404 145 HB2 LEU 20 HB2 LEU 20 -2.169 4.919 -0.072 146 HB3 LEU 20 HB3 LEU 20 -3.441 4.237 -1.060 147 HG LEU 20 HG LEU 20 -2.580 6.079 -2.272 148 HD11 LEU 20 HD11 LEU 20 -5.075 7.042 -0.903 149 HD12 LEU 20 HD12 LEU 20 -5.008 5.952 -2.286 150 HD13 LEU 20 HD13 LEU 20 -4.439 7.615 -2.443 151 HD21 LEU 20 HD21 LEU 20 -2.245 8.273 -1.400 152 HD22 LEU 20 HD22 LEU 20 -1.423 7.118 -0.344 153 HD23 LEU 20 HD23 LEU 20 -2.971 7.815 0.141 154 H LYS 21 H LYS 21 -5.725 3.215 0.446 155 HA LYS 21 HA LYS 21 -4.300 1.548 2.398 156 HB2 LYS 21 HB2 LYS 21 -7.305 1.738 2.121 157 HB3 LYS 21 HB3 LYS 21 -6.428 0.715 3.251 158 HG2 LYS 21 HG2 LYS 21 -5.521 2.737 4.333 159 HG3 LYS 21 HG3 LYS 21 -6.481 3.724 3.229 160 HD2 LYS 21 HD2 LYS 21 -7.604 1.708 5.175 161 HD3 LYS 21 HD3 LYS 21 -7.536 3.449 5.448 162 HE2 LYS 21 HE2 LYS 21 -8.896 3.722 3.359 163 HE3 LYS 21 HE3 LYS 21 -9.117 1.974 3.343 164 HZ1 LYS 21 HZ1 LYS 21 -10.986 2.987 4.428 165 HZ2 LYS 21 HZ2 LYS 21 -9.973 3.881 5.446 166 HZ3 LYS 21 HZ3 LYS 21 -10.068 2.198 5.618 167 H VAL 22 H VAL 22 -4.247 -0.611 1.932 168 HA VAL 22 HA VAL 22 -5.267 -1.329 -0.732 169 HB VAL 22 HB VAL 22 -2.618 -2.222 0.382 170 HG11 VAL 22 HG11 VAL 22 -3.749 -2.748 -2.319 171 HG12 VAL 22 HG12 VAL 22 -3.705 -3.893 -0.984 172 HG13 VAL 22 HG13 VAL 22 -2.202 -3.297 -1.680 173 HG21 VAL 22 HG21 VAL 22 -2.799 0.188 -0.427 174 HG22 VAL 22 HG22 VAL 22 -2.872 -0.548 -2.038 175 HG23 VAL 22 HG23 VAL 22 -1.477 -0.821 -1.001 176 H ALA 23 H ALA 23 -6.303 -3.215 -0.869 177 HA ALA 23 HA ALA 23 -6.364 -4.909 1.547 178 HB1 ALA 23 HB1 ALA 23 -8.630 -4.323 -0.363 179 HB2 ALA 23 HB2 ALA 23 -8.461 -3.677 1.269 180 HB3 ALA 23 HB3 ALA 23 -8.705 -5.407 1.025 181 H GLY 24 H GLY 24 -5.724 -6.934 1.176 182 HA2 GLY 24 HA2 GLY 24 -5.437 -7.757 -1.625 183 HA3 GLY 24 HA3 GLY 24 -4.505 -8.407 -0.284 184 H GLN 25 H GLN 25 -5.588 -10.097 -2.029 185 HA GLN 25 HA GLN 25 -8.154 -11.058 -1.490 186 HB2 GLN 25 HB2 GLN 25 -7.110 -13.284 -2.390 187 HB3 GLN 25 HB3 GLN 25 -7.324 -11.906 -3.453 188 HG2 GLN 25 HG2 GLN 25 -5.166 -12.965 -3.830 189 HG3 GLN 25 HG3 GLN 25 -4.955 -11.335 -3.203 190 HE21 GLN 25 HE21 GLN 25 -3.965 -11.047 -1.230 191 HE22 GLN 25 HE22 GLN 25 -3.236 -12.336 -0.342 192 H ASP 26 H ASP 26 -5.602 -11.012 0.590 193 HA ASP 26 HA ASP 26 -6.167 -13.491 1.971 194 HB2 ASP 26 HB2 ASP 26 -3.863 -12.655 1.866 195 HB3 ASP 26 HB3 ASP 26 -4.355 -11.163 2.658 196 H GLY 27 H GLY 27 -7.164 -10.195 1.987 197 HA2 GLY 27 HA2 GLY 27 -9.172 -9.551 3.104 198 HA3 GLY 27 HA3 GLY 27 -8.778 -10.689 4.392 199 H SER 28 H SER 28 -5.943 -9.705 3.918 200 HA SER 28 HA SER 28 -5.944 -7.877 6.085 201 HB2 SER 28 HB2 SER 28 -3.768 -9.009 4.338 202 HB3 SER 28 HB3 SER 28 -3.480 -7.951 5.708 203 HG SER 28 HG SER 28 -4.161 -10.625 5.644 204 H VAL 29 H VAL 29 -5.816 -5.756 6.028 205 HA VAL 29 HA VAL 29 -5.202 -4.437 3.476 206 HB VAL 29 HB VAL 29 -7.510 -4.081 3.825 207 HG11 VAL 29 HG11 VAL 29 -8.485 -3.290 5.908 208 HG12 VAL 29 HG12 VAL 29 -6.892 -3.340 6.669 209 HG13 VAL 29 HG13 VAL 29 -7.653 -4.832 6.110 210 HG21 VAL 29 HG21 VAL 29 -7.727 -1.668 4.242 211 HG22 VAL 29 HG22 VAL 29 -6.353 -2.035 3.198 212 HG23 VAL 29 HG23 VAL 29 -6.090 -1.644 4.897 213 H VAL 30 H VAL 30 -3.901 -2.666 3.510 214 HA VAL 30 HA VAL 30 -2.631 -2.015 6.093 215 HB VAL 30 HB VAL 30 -1.166 -1.920 3.463 216 HG11 VAL 30 HG11 VAL 30 -0.173 -1.985 6.309 217 HG12 VAL 30 HG12 VAL 30 -0.315 -0.544 5.306 218 HG13 VAL 30 HG13 VAL 30 0.814 -1.818 4.855 219 HG21 VAL 30 HG21 VAL 30 -1.172 -4.175 5.471 220 HG22 VAL 30 HG22 VAL 30 -0.087 -4.035 4.084 221 HG23 VAL 30 HG23 VAL 30 -1.821 -4.229 3.832 222 H GLN 31 H GLN 31 -2.361 0.146 6.525 223 HA GLN 31 HA GLN 31 -3.419 1.967 4.488 224 HB2 GLN 31 HB2 GLN 31 -3.192 2.416 7.472 225 HB3 GLN 31 HB3 GLN 31 -3.942 3.503 6.320 226 HG2 GLN 31 HG2 GLN 31 -5.816 2.488 7.117 227 HG3 GLN 31 HG3 GLN 31 -5.417 1.367 5.821 228 HE21 GLN 31 HE21 GLN 31 -4.754 -0.680 6.306 229 HE22 GLN 31 HE22 GLN 31 -4.798 -1.347 7.894 230 H PHE 32 H PHE 32 -2.314 3.774 3.859 231 HA PHE 32 HA PHE 32 0.400 4.160 4.959 232 HB2 PHE 32 HB2 PHE 32 -0.207 4.309 2.002 233 HB3 PHE 32 HB3 PHE 32 1.365 4.321 2.783 234 HD1 PHE 32 HD1 PHE 32 -1.510 2.229 1.859 235 HD2 PHE 32 HD2 PHE 32 2.462 2.293 3.382 236 HE1 PHE 32 HE1 PHE 32 -1.360 -0.195 1.543 237 HE2 PHE 32 HE2 PHE 32 2.623 -0.143 3.067 238 HZ PHE 32 HZ PHE 32 0.705 -1.389 2.145 239 HH31 ALY 33 HH31 ALY 33 -7.212 10.802 6.863 240 HH32 ALY 33 HH32 ALY 33 -6.004 10.467 5.603 241 HH33 ALY 33 HH33 ALY 33 -5.959 11.988 6.516 242 HZ ALY 33 HZ ALY 33 -3.592 11.289 7.371 243 HE3 ALY 33 HE3 ALY 33 -2.656 9.207 8.414 244 HE2 ALY 33 HE2 ALY 33 -3.583 8.359 7.176 245 HD3 ALY 33 HD3 ALY 33 -2.269 9.292 5.437 246 HD2 ALY 33 HD2 ALY 33 -1.514 10.444 6.540 247 HG3 ALY 33 HG3 ALY 33 -0.483 8.548 7.749 248 HG2 ALY 33 HG2 ALY 33 -1.172 7.449 6.553 249 HB3 ALY 33 HB3 ALY 33 0.537 9.757 5.733 250 HB2 ALY 33 HB2 ALY 33 1.262 8.254 6.278 251 HCA ALY 33 HCA ALY 33 -0.738 8.352 4.021 252 H ALY 33 H ALY 33 1.240 6.274 4.726 253 H ILE 34 H ILE 34 -0.041 9.094 2.056 254 HA ILE 34 HA ILE 34 2.762 9.956 1.866 255 HB ILE 34 HB ILE 34 3.130 9.000 -0.304 256 HG12 ILE 34 HG12 ILE 34 0.372 7.778 -0.176 257 HG13 ILE 34 HG13 ILE 34 0.741 9.251 -1.065 258 HG21 ILE 34 HG21 ILE 34 3.609 7.510 1.552 259 HG22 ILE 34 HG22 ILE 34 3.024 6.586 0.167 260 HG23 ILE 34 HG23 ILE 34 1.946 6.920 1.527 261 HD11 ILE 34 HD11 ILE 34 1.999 6.566 -1.575 262 HD12 ILE 34 HD12 ILE 34 2.247 8.039 -2.511 263 HD13 ILE 34 HD13 ILE 34 0.666 7.257 -2.498 264 H LYS 35 H LYS 35 3.094 11.292 -0.159 265 HA LYS 35 HA LYS 35 0.997 13.244 -0.271 266 HB2 LYS 35 HB2 LYS 35 3.746 13.104 -1.479 267 HB3 LYS 35 HB3 LYS 35 2.626 14.415 -1.831 268 HG2 LYS 35 HG2 LYS 35 2.568 15.058 0.486 269 HG3 LYS 35 HG3 LYS 35 3.552 13.665 0.934 270 HD2 LYS 35 HD2 LYS 35 4.718 15.391 -1.129 271 HD3 LYS 35 HD3 LYS 35 4.520 16.162 0.447 272 HE2 LYS 35 HE2 LYS 35 6.709 15.165 0.359 273 HE3 LYS 35 HE3 LYS 35 5.712 14.222 1.463 274 HZ1 LYS 35 HZ1 LYS 35 7.025 12.815 0.015 275 HZ2 LYS 35 HZ2 LYS 35 6.314 13.509 -1.347 276 HZ3 LYS 35 HZ3 LYS 35 5.379 12.599 -0.284 277 H ARG 36 H ARG 36 -0.181 13.856 -2.085 278 HA ARG 36 HA ARG 36 -0.919 11.696 -3.783 279 HB2 ARG 36 HB2 ARG 36 -2.395 13.366 -4.920 280 HB3 ARG 36 HB3 ARG 36 -2.646 13.240 -3.195 281 HG2 ARG 36 HG2 ARG 36 -2.627 15.493 -3.348 282 HG3 ARG 36 HG3 ARG 36 -0.888 15.249 -3.226 283 HD2 ARG 36 HD2 ARG 36 -0.856 15.165 -5.759 284 HD3 ARG 36 HD3 ARG 36 -2.519 15.758 -5.702 285 HE ARG 36 HE ARG 36 -0.469 17.245 -4.252 286 HH11 ARG 36 HH11 ARG 36 -2.574 17.070 -7.076 287 HH12 ARG 36 HH12 ARG 36 -2.416 18.752 -7.449 288 HH21 ARG 36 HH21 ARG 36 -0.286 19.457 -4.739 289 HH22 ARG 36 HH22 ARG 36 -1.119 20.126 -6.102 290 H HIS 37 H HIS 37 1.610 13.899 -4.003 291 HA HIS 37 HA HIS 37 1.656 13.768 -6.931 292 HB2 HIS 37 HB2 HIS 37 1.873 15.997 -5.603 293 HB3 HIS 37 HB3 HIS 37 3.489 15.425 -5.203 294 HD1 HIS 37 HD1 HIS 37 5.263 16.037 -6.826 295 HD2 HIS 37 HD2 HIS 37 1.476 16.183 -8.515 296 HE1 HIS 37 HE1 HIS 37 5.588 16.978 -9.130 297 HE2 HIS 37 HE2 HIS 37 3.251 17.322 -9.991 298 H THR 38 H THR 38 2.618 12.220 -4.269 299 HA THR 38 HA THR 38 5.309 11.510 -5.058 300 HB THR 38 HB THR 38 3.608 11.293 -2.622 301 HG1 THR 38 HG1 THR 38 5.913 12.512 -3.428 302 HG21 THR 38 HG21 THR 38 5.146 9.780 -1.518 303 HG22 THR 38 HG22 THR 38 6.088 9.606 -3.001 304 HG23 THR 38 HG23 THR 38 4.430 8.990 -2.928 305 HA PRO 39 HA PRO 39 4.067 7.799 -7.172 306 HB2 PRO 39 HB2 PRO 39 6.250 6.237 -6.601 307 HB3 PRO 39 HB3 PRO 39 6.257 7.512 -7.829 308 HG2 PRO 39 HG2 PRO 39 7.130 7.643 -4.972 309 HG3 PRO 39 HG3 PRO 39 8.018 8.190 -6.398 310 HD2 PRO 39 HD2 PRO 39 6.724 9.956 -4.941 311 HD3 PRO 39 HD3 PRO 39 6.574 10.032 -6.711 312 H LEU 40 H LEU 40 2.635 6.357 -6.507 313 HA LEU 40 HA LEU 40 2.364 5.609 -3.787 314 HB2 LEU 40 HB2 LEU 40 0.624 3.972 -4.786 315 HB3 LEU 40 HB3 LEU 40 0.327 5.694 -4.864 316 HG LEU 40 HG LEU 40 1.123 5.665 -7.241 317 HD11 LEU 40 HD11 LEU 40 1.219 3.523 -8.414 318 HD12 LEU 40 HD12 LEU 40 1.053 2.674 -6.878 319 HD13 LEU 40 HD13 LEU 40 2.486 3.653 -7.195 320 HD21 LEU 40 HD21 LEU 40 -0.918 4.658 -8.130 321 HD22 LEU 40 HD22 LEU 40 -1.240 5.641 -6.701 322 HD23 LEU 40 HD23 LEU 40 -1.208 3.880 -6.575 323 H SER 41 H SER 41 4.223 4.407 -6.315 324 HA SER 41 HA SER 41 4.388 1.701 -6.039 325 HB2 SER 41 HB2 SER 41 6.902 3.246 -6.333 326 HB3 SER 41 HB3 SER 41 6.264 1.925 -7.320 327 HG SER 41 HG SER 41 6.073 3.848 -8.482 328 H LYS 42 H LYS 42 5.693 4.175 -3.947 329 HA LYS 42 HA LYS 42 7.553 2.684 -2.467 330 HB2 LYS 42 HB2 LYS 42 5.784 4.929 -1.486 331 HB3 LYS 42 HB3 LYS 42 7.261 4.369 -0.721 332 HG2 LYS 42 HG2 LYS 42 8.550 5.112 -2.651 333 HG3 LYS 42 HG3 LYS 42 7.063 5.663 -3.432 334 HD2 LYS 42 HD2 LYS 42 6.667 7.227 -1.621 335 HD3 LYS 42 HD3 LYS 42 8.122 6.665 -0.789 336 HE2 LYS 42 HE2 LYS 42 9.397 7.384 -2.827 337 HE3 LYS 42 HE3 LYS 42 7.902 8.122 -3.395 338 HZ1 LYS 42 HZ1 LYS 42 9.369 8.815 -0.917 339 HZ2 LYS 42 HZ2 LYS 42 7.865 9.451 -1.341 340 HZ3 LYS 42 HZ3 LYS 42 9.218 9.772 -2.301 341 H LEU 43 H LEU 43 4.134 3.361 -1.856 342 HA LEU 43 HA LEU 43 4.001 1.741 0.475 343 HB2 LEU 43 HB2 LEU 43 1.701 2.231 0.561 344 HB3 LEU 43 HB3 LEU 43 2.469 3.669 -0.070 345 HG LEU 43 HG LEU 43 1.776 2.609 -2.394 346 HD11 LEU 43 HD11 LEU 43 -0.285 1.460 -0.514 347 HD12 LEU 43 HD12 LEU 43 0.887 0.534 -1.448 348 HD13 LEU 43 HD13 LEU 43 -0.373 1.456 -2.277 349 HD21 LEU 43 HD21 LEU 43 -0.126 4.024 -0.535 350 HD22 LEU 43 HD22 LEU 43 -0.302 3.913 -2.286 351 HD23 LEU 43 HD23 LEU 43 1.066 4.780 -1.592 352 H MET 44 H MET 44 3.480 1.134 -2.935 353 HA MET 44 HA MET 44 2.052 -1.277 -2.632 354 HB2 MET 44 HB2 MET 44 3.761 -0.340 -4.937 355 HB3 MET 44 HB3 MET 44 2.749 -1.775 -4.977 356 HG2 MET 44 HG2 MET 44 0.840 -0.150 -4.333 357 HG3 MET 44 HG3 MET 44 1.944 1.097 -4.906 358 HE1 MET 44 HE1 MET 44 2.533 -0.153 -8.631 359 HE2 MET 44 HE2 MET 44 3.471 -0.597 -7.206 360 HE3 MET 44 HE3 MET 44 2.968 1.077 -7.447 361 H LYS 45 H LYS 45 5.541 -0.724 -3.225 362 HA LYS 45 HA LYS 45 6.218 -3.452 -3.018 363 HB2 LYS 45 HB2 LYS 45 7.850 -0.961 -2.590 364 HB3 LYS 45 HB3 LYS 45 8.527 -2.584 -2.609 365 HG2 LYS 45 HG2 LYS 45 6.946 -1.495 -4.909 366 HG3 LYS 45 HG3 LYS 45 8.671 -1.212 -4.751 367 HD2 LYS 45 HD2 LYS 45 7.282 -3.894 -4.978 368 HD3 LYS 45 HD3 LYS 45 8.281 -3.123 -6.208 369 HE2 LYS 45 HE2 LYS 45 10.159 -3.211 -4.454 370 HE3 LYS 45 HE3 LYS 45 9.104 -4.329 -3.591 371 HZ1 LYS 45 HZ1 LYS 45 9.170 -5.843 -5.410 372 HZ2 LYS 45 HZ2 LYS 45 10.762 -5.421 -5.032 373 HZ3 LYS 45 HZ3 LYS 45 10.015 -4.740 -6.375 374 H ALA 46 H ALA 46 5.817 -0.903 -0.649 375 HA ALA 46 HA ALA 46 7.000 -2.243 1.542 376 HB1 ALA 46 HB1 ALA 46 5.792 -0.652 2.938 377 HB2 ALA 46 HB2 ALA 46 4.788 -0.186 1.564 378 HB3 ALA 46 HB3 ALA 46 6.516 0.167 1.553 379 H TYR 47 H TYR 47 3.753 -2.214 0.171 380 HA TYR 47 HA TYR 47 2.428 -3.681 2.129 381 HB2 TYR 47 HB2 TYR 47 1.176 -2.573 0.392 382 HB3 TYR 47 HB3 TYR 47 1.977 -3.515 -0.857 383 HD1 TYR 47 HD1 TYR 47 1.386 -5.880 -1.193 384 HD2 TYR 47 HD2 TYR 47 -0.683 -3.483 1.640 385 HE1 TYR 47 HE1 TYR 47 -0.416 -7.548 -1.124 386 HE2 TYR 47 HE2 TYR 47 -2.500 -5.145 1.725 387 HH TYR 47 HH TYR 47 -2.219 -8.198 0.731 388 H CYS 48 H CYS 48 3.879 -4.851 -0.916 389 HA CYS 48 HA CYS 48 3.422 -7.562 -0.359 390 HB2 CYS 48 HB2 CYS 48 5.071 -8.044 -2.162 391 HB3 CYS 48 HB3 CYS 48 3.830 -6.891 -2.628 392 HG CYS 48 HG CYS 48 6.447 -5.248 -1.480 393 H GLU 49 H GLU 49 6.153 -5.495 0.487 394 HA GLU 49 HA GLU 49 7.846 -7.599 1.319 395 HB2 GLU 49 HB2 GLU 49 7.785 -4.674 2.039 396 HB3 GLU 49 HB3 GLU 49 9.020 -5.781 2.632 397 HG2 GLU 49 HG2 GLU 49 9.566 -6.290 0.240 398 HG3 GLU 49 HG3 GLU 49 8.466 -4.990 -0.217 399 H ARG 50 H ARG 50 5.492 -5.602 3.081 400 HA ARG 50 HA ARG 50 6.120 -6.840 5.599 401 HB2 ARG 50 HB2 ARG 50 4.283 -5.541 6.520 402 HB3 ARG 50 HB3 ARG 50 5.267 -4.526 5.480 403 HG2 ARG 50 HG2 ARG 50 3.611 -4.790 3.685 404 HG3 ARG 50 HG3 ARG 50 2.617 -5.761 4.769 405 HD2 ARG 50 HD2 ARG 50 3.413 -2.884 5.243 406 HD3 ARG 50 HD3 ARG 50 1.871 -3.432 4.614 407 HE ARG 50 HE ARG 50 1.534 -4.579 6.761 408 HH11 ARG 50 HH11 ARG 50 3.936 -2.011 6.649 409 HH12 ARG 50 HH12 ARG 50 3.704 -1.558 8.301 410 HH21 ARG 50 HH21 ARG 50 1.237 -3.969 8.957 411 HH22 ARG 50 HH22 ARG 50 2.167 -2.664 9.611 412 H GLN 51 H GLN 51 3.638 -7.282 3.144 413 HA GLN 51 HA GLN 51 2.046 -9.084 4.673 414 HB2 GLN 51 HB2 GLN 51 2.159 -8.495 1.729 415 HB3 GLN 51 HB3 GLN 51 0.979 -9.568 2.478 416 HG2 GLN 51 HG2 GLN 51 1.346 -6.735 3.308 417 HG3 GLN 51 HG3 GLN 51 0.266 -7.217 2.002 418 HE21 GLN 51 HE21 GLN 51 0.884 -7.479 5.433 419 HE22 GLN 51 HE22 GLN 51 -0.715 -7.961 5.876 420 H GLY 52 H GLY 52 4.874 -9.438 2.805 421 HA2 GLY 52 HA2 GLY 52 6.179 -11.358 2.625 422 HA3 GLY 52 HA3 GLY 52 4.856 -12.276 3.342 423 H LEU 53 H LEU 53 4.874 -10.152 0.530 424 HA LEU 53 HA LEU 53 4.152 -12.437 -1.159 425 HB2 LEU 53 HB2 LEU 53 2.823 -9.753 -0.986 426 HB3 LEU 53 HB3 LEU 53 2.807 -10.655 -2.484 427 HG LEU 53 HG LEU 53 0.759 -11.003 -1.392 428 HD11 LEU 53 HD11 LEU 53 2.444 -13.461 -0.968 429 HD12 LEU 53 HD12 LEU 53 1.698 -12.968 -2.488 430 HD13 LEU 53 HD13 LEU 53 0.688 -13.418 -1.114 431 HD21 LEU 53 HD21 LEU 53 2.272 -11.892 1.042 432 HD22 LEU 53 HD22 LEU 53 0.515 -11.890 0.847 433 HD23 LEU 53 HD23 LEU 53 1.412 -10.367 0.840 434 H SER 54 H SER 54 4.535 -11.892 -3.504 435 HA SER 54 HA SER 54 6.847 -10.099 -3.736 436 HB2 SER 54 HB2 SER 54 6.187 -12.592 -5.314 437 HB3 SER 54 HB3 SER 54 7.596 -11.577 -5.562 438 HG SER 54 HG SER 54 7.883 -13.510 -4.224 439 H MET 55 H MET 55 6.980 -8.820 -5.660 440 HA MET 55 HA MET 55 4.569 -7.776 -6.604 441 HB2 MET 55 HB2 MET 55 7.421 -7.511 -7.398 442 HB3 MET 55 HB3 MET 55 6.199 -6.943 -8.539 443 HG2 MET 55 HG2 MET 55 6.488 -6.107 -5.674 444 HG3 MET 55 HG3 MET 55 7.013 -5.180 -7.079 445 HE1 MET 55 HE1 MET 55 3.776 -3.493 -5.408 446 HE2 MET 55 HE2 MET 55 5.501 -3.267 -5.708 447 HE3 MET 55 HE3 MET 55 4.956 -4.523 -4.594 448 H ARG 56 H ARG 56 6.443 -10.445 -7.756 449 HA ARG 56 HA ARG 56 4.955 -10.653 -10.224 450 HB2 ARG 56 HB2 ARG 56 6.236 -12.779 -10.556 451 HB3 ARG 56 HB3 ARG 56 7.243 -11.360 -10.355 452 HG2 ARG 56 HG2 ARG 56 6.650 -12.920 -7.913 453 HG3 ARG 56 HG3 ARG 56 7.713 -13.671 -9.105 454 HD2 ARG 56 HD2 ARG 56 8.113 -10.931 -7.902 455 HD3 ARG 56 HD3 ARG 56 8.933 -12.396 -7.369 456 HE ARG 56 HE ARG 56 9.360 -12.101 -10.112 457 HH11 ARG 56 HH11 ARG 56 10.216 -10.469 -7.115 458 HH12 ARG 56 HH12 ARG 56 11.711 -9.862 -7.730 459 HH21 ARG 56 HH21 ARG 56 11.351 -11.292 -10.917 460 HH22 ARG 56 HH22 ARG 56 12.361 -10.338 -9.885 461 H GLN 57 H GLN 57 4.532 -11.549 -7.038 462 HA GLN 57 HA GLN 57 2.882 -13.890 -7.596 463 HB2 GLN 57 HB2 GLN 57 4.220 -12.765 -5.225 464 HB3 GLN 57 HB3 GLN 57 2.664 -13.531 -4.917 465 HG2 GLN 57 HG2 GLN 57 4.491 -15.093 -4.605 466 HG3 GLN 57 HG3 GLN 57 3.475 -15.589 -5.957 467 HE21 GLN 57 HE21 GLN 57 4.280 -15.315 -8.069 468 HE22 GLN 57 HE22 GLN 57 5.975 -15.208 -8.366 469 H ILE 58 H ILE 58 2.477 -10.517 -7.117 470 HA ILE 58 HA ILE 58 -0.425 -10.920 -6.993 471 HB ILE 58 HB ILE 58 -0.781 -9.269 -5.280 472 HG12 ILE 58 HG12 ILE 58 2.225 -8.916 -5.285 473 HG13 ILE 58 HG13 ILE 58 1.010 -7.739 -5.771 474 HG21 ILE 58 HG21 ILE 58 1.340 -11.202 -4.363 475 HG22 ILE 58 HG22 ILE 58 -0.382 -11.552 -4.511 476 HG23 ILE 58 HG23 ILE 58 0.179 -10.367 -3.327 477 HD11 ILE 58 HD11 ILE 58 1.415 -8.789 -2.982 478 HD12 ILE 58 HD12 ILE 58 0.205 -7.608 -3.481 479 HD13 ILE 58 HD13 ILE 58 1.918 -7.211 -3.588 480 H ARG 59 H ARG 59 -1.456 -8.609 -7.074 481 HA ARG 59 HA ARG 59 -0.031 -6.666 -8.647 482 HB2 ARG 59 HB2 ARG 59 -2.056 -8.456 -9.881 483 HB3 ARG 59 HB3 ARG 59 -2.101 -6.760 -10.330 484 HG2 ARG 59 HG2 ARG 59 0.319 -8.528 -10.557 485 HG3 ARG 59 HG3 ARG 59 -0.785 -8.150 -11.883 486 HD2 ARG 59 HD2 ARG 59 -0.270 -5.765 -11.567 487 HD3 ARG 59 HD3 ARG 59 0.883 -6.194 -10.313 488 HE ARG 59 HE ARG 59 2.080 -7.479 -12.083 489 HH11 ARG 59 HH11 ARG 59 0.076 -4.725 -12.937 490 HH12 ARG 59 HH12 ARG 59 0.948 -4.374 -14.384 491 HH21 ARG 59 HH21 ARG 59 3.247 -7.003 -14.009 492 HH22 ARG 59 HH22 ARG 59 2.746 -5.675 -14.996 493 H PHE 60 H PHE 60 -0.880 -4.658 -8.491 494 HA PHE 60 HA PHE 60 -3.133 -4.365 -6.661 495 HB2 PHE 60 HB2 PHE 60 -1.076 -2.333 -7.592 496 HB3 PHE 60 HB3 PHE 60 -2.346 -2.032 -6.409 497 HD1 PHE 60 HD1 PHE 60 0.589 -4.227 -7.044 498 HD2 PHE 60 HD2 PHE 60 -1.901 -2.357 -4.125 499 HE1 PHE 60 HE1 PHE 60 2.104 -4.979 -5.264 500 HE2 PHE 60 HE2 PHE 60 -0.377 -3.107 -2.358 501 HZ PHE 60 HZ PHE 60 1.616 -4.422 -2.920 502 H ARG 61 H ARG 61 -4.931 -3.161 -7.200 503 HA ARG 61 HA ARG 61 -5.162 -2.059 -9.909 504 HB2 ARG 61 HB2 ARG 61 -5.911 -4.317 -10.219 505 HB3 ARG 61 HB3 ARG 61 -6.944 -4.222 -8.797 506 HG2 ARG 61 HG2 ARG 61 -7.476 -2.238 -10.907 507 HG3 ARG 61 HG3 ARG 61 -7.812 -3.920 -11.324 508 HD2 ARG 61 HD2 ARG 61 -8.786 -2.761 -8.742 509 HD3 ARG 61 HD3 ARG 61 -9.682 -2.477 -10.233 510 HE ARG 61 HE ARG 61 -9.261 -5.192 -10.133 511 HH11 ARG 61 HH11 ARG 61 -10.852 -2.832 -8.083 512 HH12 ARG 61 HH12 ARG 61 -11.978 -3.967 -7.433 513 HH21 ARG 61 HH21 ARG 61 -10.770 -6.682 -9.304 514 HH22 ARG 61 HH22 ARG 61 -11.944 -6.178 -8.134 515 H PHE 62 H PHE 62 -6.324 -0.357 -10.078 516 HA PHE 62 HA PHE 62 -8.277 0.332 -8.045 517 HB2 PHE 62 HB2 PHE 62 -6.182 1.425 -7.355 518 HB3 PHE 62 HB3 PHE 62 -6.053 2.179 -8.937 519 HD1 PHE 62 HD1 PHE 62 -7.952 2.092 -5.806 520 HD2 PHE 62 HD2 PHE 62 -7.328 4.114 -9.485 521 HE1 PHE 62 HE1 PHE 62 -9.285 4.003 -4.983 522 HE2 PHE 62 HE2 PHE 62 -8.647 6.026 -8.677 523 HZ PHE 62 HZ PHE 62 -9.624 5.976 -6.420 524 H ASP 63 H ASP 63 -9.800 1.771 -8.860 525 HA ASP 63 HA ASP 63 -11.361 2.279 -10.542 526 HB2 ASP 63 HB2 ASP 63 -9.448 3.982 -10.734 527 HB3 ASP 63 HB3 ASP 63 -8.955 3.096 -12.148 528 H GLY 64 H GLY 64 -10.755 -0.436 -10.641 529 HA2 GLY 64 HA2 GLY 64 -10.680 -2.225 -11.935 530 HA3 GLY 64 HA3 GLY 64 -11.275 -1.207 -13.224 531 H GLN 65 H GLN 65 -8.579 0.316 -12.853 532 HA GLN 65 HA GLN 65 -7.201 -1.354 -14.808 533 HB2 GLN 65 HB2 GLN 65 -5.813 0.692 -15.209 534 HB3 GLN 65 HB3 GLN 65 -7.529 0.918 -15.509 535 HG2 GLN 65 HG2 GLN 65 -7.752 1.976 -13.311 536 HG3 GLN 65 HG3 GLN 65 -6.018 1.814 -13.065 537 HE21 GLN 65 HE21 GLN 65 -5.691 3.981 -12.913 538 HE22 GLN 65 HE22 GLN 65 -5.828 5.077 -14.239 539 HA PRO 66 HA PRO 66 -4.122 -2.674 -11.971 540 HB2 PRO 66 HB2 PRO 66 -2.032 -3.068 -13.662 541 HB3 PRO 66 HB3 PRO 66 -3.418 -4.159 -13.588 542 HG2 PRO 66 HG2 PRO 66 -2.829 -1.974 -15.541 543 HG3 PRO 66 HG3 PRO 66 -3.491 -3.593 -15.835 544 HD2 PRO 66 HD2 PRO 66 -5.040 -1.359 -15.728 545 HD3 PRO 66 HD3 PRO 66 -5.626 -2.964 -15.241 546 H ILE 67 H ILE 67 -2.511 -1.794 -10.756 547 HA ILE 67 HA ILE 67 -1.819 0.965 -11.411 548 HB ILE 67 HB ILE 67 -1.233 -0.557 -8.861 549 HG12 ILE 67 HG12 ILE 67 -3.571 1.257 -9.506 550 HG13 ILE 67 HG13 ILE 67 -3.649 -0.482 -9.257 551 HG21 ILE 67 HG21 ILE 67 -1.282 2.398 -9.479 552 HG22 ILE 67 HG22 ILE 67 0.156 1.416 -9.200 553 HG23 ILE 67 HG23 ILE 67 -0.996 1.686 -7.891 554 HD11 ILE 67 HD11 ILE 67 -4.399 0.653 -7.286 555 HD12 ILE 67 HD12 ILE 67 -2.911 1.596 -7.216 556 HD13 ILE 67 HD13 ILE 67 -2.866 -0.145 -6.944 557 H ASN 68 H ASN 68 0.333 1.684 -11.580 558 HA ASN 68 HA ASN 68 2.320 -0.467 -11.865 559 HB2 ASN 68 HB2 ASN 68 2.720 2.022 -13.422 560 HB3 ASN 68 HB3 ASN 68 3.090 0.357 -13.850 561 HD21 ASN 68 HD21 ASN 68 0.755 2.880 -13.896 562 HD22 ASN 68 HD22 ASN 68 -0.361 2.105 -14.929 563 H GLU 69 H GLU 69 4.529 0.287 -11.590 564 HA GLU 69 HA GLU 69 4.783 1.907 -9.264 565 HB2 GLU 69 HB2 GLU 69 7.181 1.485 -9.513 566 HB3 GLU 69 HB3 GLU 69 6.259 -0.001 -9.706 567 HG2 GLU 69 HG2 GLU 69 6.408 0.365 -12.189 568 HG3 GLU 69 HG3 GLU 69 7.555 1.654 -11.848 569 H THR 70 H THR 70 4.669 2.585 -12.598 570 HA THR 70 HA THR 70 6.126 5.065 -12.318 571 HB THR 70 HB THR 70 5.576 5.290 -14.784 572 HG1 THR 70 HG1 THR 70 3.920 3.948 -15.180 573 HG21 THR 70 HG21 THR 70 7.057 2.825 -13.865 574 HG22 THR 70 HG22 THR 70 7.728 4.453 -13.953 575 HG23 THR 70 HG23 THR 70 7.249 3.615 -15.430 576 H ASP 71 H ASP 71 3.117 4.222 -11.442 577 HA ASP 71 HA ASP 71 1.937 6.699 -12.442 578 HB2 ASP 71 HB2 ASP 71 0.876 4.055 -11.928 579 HB3 ASP 71 HB3 ASP 71 -0.071 5.312 -11.141 580 H THR 72 H THR 72 0.750 8.042 -11.022 581 HA THR 72 HA THR 72 1.582 7.857 -8.209 582 HB THR 72 HB THR 72 0.904 10.446 -8.439 583 HG1 THR 72 HG1 THR 72 2.312 10.398 -10.781 584 HG21 THR 72 HG21 THR 72 3.583 9.259 -9.148 585 HG22 THR 72 HG22 THR 72 2.991 9.673 -7.535 586 HG23 THR 72 HG23 THR 72 3.300 10.946 -8.714 587 HA PRO 73 HA PRO 73 -2.612 7.601 -6.910 588 HB2 PRO 73 HB2 PRO 73 -2.678 9.569 -4.943 589 HB3 PRO 73 HB3 PRO 73 -2.117 7.912 -4.704 590 HG2 PRO 73 HG2 PRO 73 -0.533 10.394 -5.215 591 HG3 PRO 73 HG3 PRO 73 -0.170 9.034 -4.136 592 HD2 PRO 73 HD2 PRO 73 1.031 9.347 -6.490 593 HD3 PRO 73 HD3 PRO 73 0.620 7.730 -5.874 594 H ALA 74 H ALA 74 -1.346 10.790 -7.627 595 HA ALA 74 HA ALA 74 -3.899 12.037 -7.804 596 HB1 ALA 74 HB1 ALA 74 -1.210 12.929 -8.796 597 HB2 ALA 74 HB2 ALA 74 -1.919 13.293 -7.216 598 HB3 ALA 74 HB3 ALA 74 -2.649 13.948 -8.691 599 H GLN 75 H GLN 75 -2.095 10.068 -9.911 600 HA GLN 75 HA GLN 75 -3.074 11.096 -12.389 601 HB2 GLN 75 HB2 GLN 75 -1.756 8.556 -11.526 602 HB3 GLN 75 HB3 GLN 75 -2.353 8.735 -13.172 603 HG2 GLN 75 HG2 GLN 75 -0.377 10.580 -11.849 604 HG3 GLN 75 HG3 GLN 75 0.067 9.212 -12.866 605 HE21 GLN 75 HE21 GLN 75 -1.368 12.386 -12.796 606 HE22 GLN 75 HE22 GLN 75 -1.300 12.661 -14.500 607 H LEU 76 H LEU 76 -4.028 8.545 -10.179 608 HA LEU 76 HA LEU 76 -6.281 7.804 -11.834 609 HB2 LEU 76 HB2 LEU 76 -5.849 6.889 -9.010 610 HB3 LEU 76 HB3 LEU 76 -6.667 6.057 -10.316 611 HG LEU 76 HG LEU 76 -4.136 6.217 -11.317 612 HD11 LEU 76 HD11 LEU 76 -2.579 5.654 -9.565 613 HD12 LEU 76 HD12 LEU 76 -3.856 5.786 -8.357 614 HD13 LEU 76 HD13 LEU 76 -3.321 7.222 -9.227 615 HD21 LEU 76 HD21 LEU 76 -3.950 3.876 -10.780 616 HD22 LEU 76 HD22 LEU 76 -5.639 4.231 -11.157 617 HD23 LEU 76 HD23 LEU 76 -5.130 4.038 -9.483 618 H GLU 77 H GLU 77 -5.601 10.272 -9.828 619 HA GLU 77 HA GLU 77 -6.748 11.874 -8.742 620 HB2 GLU 77 HB2 GLU 77 -9.084 10.785 -10.317 621 HB3 GLU 77 HB3 GLU 77 -9.038 12.346 -9.505 622 HG2 GLU 77 HG2 GLU 77 -7.103 12.962 -10.940 623 HG3 GLU 77 HG3 GLU 77 -7.339 11.454 -11.817 624 H MET 78 H MET 78 -6.448 9.331 -7.509 625 HA MET 78 HA MET 78 -8.840 8.709 -6.064 626 HB2 MET 78 HB2 MET 78 -7.501 7.074 -4.926 627 HB3 MET 78 HB3 MET 78 -7.053 7.058 -6.628 628 HG2 MET 78 HG2 MET 78 -5.248 8.787 -5.732 629 HG3 MET 78 HG3 MET 78 -5.486 7.845 -4.261 630 HE1 MET 78 HE1 MET 78 -6.280 5.021 -5.694 631 HE2 MET 78 HE2 MET 78 -5.257 5.122 -4.259 632 HE3 MET 78 HE3 MET 78 -4.715 4.210 -5.670 633 H GLU 79 H GLU 79 -8.684 8.674 -3.577 634 HA GLU 79 HA GLU 79 -7.386 11.116 -2.604 635 HB2 GLU 79 HB2 GLU 79 -9.412 11.867 -1.538 636 HB3 GLU 79 HB3 GLU 79 -9.712 11.652 -3.255 637 HG2 GLU 79 HG2 GLU 79 -10.615 9.350 -2.629 638 HG3 GLU 79 HG3 GLU 79 -10.597 9.938 -0.974 639 H ASP 80 H ASP 80 -7.977 11.232 -0.065 640 HA ASP 80 HA ASP 80 -6.706 9.063 1.110 641 HB2 ASP 80 HB2 ASP 80 -7.358 10.091 3.267 642 HB3 ASP 80 HB3 ASP 80 -6.642 11.240 2.147 643 H GLU 81 H GLU 81 -7.311 7.402 2.183 644 HA GLU 81 HA GLU 81 -8.495 5.758 3.207 645 HB2 GLU 81 HB2 GLU 81 -10.853 7.558 2.692 646 HB3 GLU 81 HB3 GLU 81 -10.999 5.978 3.457 647 HG2 GLU 81 HG2 GLU 81 -8.978 7.788 4.591 648 HG3 GLU 81 HG3 GLU 81 -10.655 8.260 4.816 649 H ASP 82 H ASP 82 -8.105 6.318 0.225 650 HA ASP 82 HA ASP 82 -9.989 4.826 -1.234 651 HB2 ASP 82 HB2 ASP 82 -8.672 5.510 -2.915 652 HB3 ASP 82 HB3 ASP 82 -7.474 6.059 -1.747 653 H THR 83 H THR 83 -10.159 2.616 -1.761 654 HA THR 83 HA THR 83 -8.314 0.874 -0.316 655 HB THR 83 HB THR 83 -11.072 0.155 -1.301 656 HG1 THR 83 HG1 THR 83 -10.385 1.784 0.651 657 HG21 THR 83 HG21 THR 83 -9.523 -1.728 -0.919 658 HG22 THR 83 HG22 THR 83 -10.830 -1.712 0.267 659 HG23 THR 83 HG23 THR 83 -9.223 -1.139 0.716 660 H ILE 84 H ILE 84 -6.853 0.089 -1.505 661 HA ILE 84 HA ILE 84 -7.008 -0.299 -4.367 662 HB ILE 84 HB ILE 84 -4.807 -1.204 -2.472 663 HG12 ILE 84 HG12 ILE 84 -5.317 1.277 -2.373 664 HG13 ILE 84 HG13 ILE 84 -3.677 0.855 -2.831 665 HG21 ILE 84 HG21 ILE 84 -4.858 -0.739 -5.447 666 HG22 ILE 84 HG22 ILE 84 -4.686 -2.291 -4.614 667 HG23 ILE 84 HG23 ILE 84 -3.403 -1.079 -4.506 668 HD11 ILE 84 HD11 ILE 84 -4.223 1.255 -5.152 669 HD12 ILE 84 HD12 ILE 84 -4.520 2.676 -4.150 670 HD13 ILE 84 HD13 ILE 84 -5.874 1.680 -4.694 671 H ASP 85 H ASP 85 -7.065 -2.275 -5.434 672 HA ASP 85 HA ASP 85 -7.770 -4.590 -3.767 673 HB2 ASP 85 HB2 ASP 85 -8.470 -3.817 -6.574 674 HB3 ASP 85 HB3 ASP 85 -8.678 -5.469 -5.998 675 H VAL 86 H VAL 86 -6.342 -6.161 -3.612 676 HA VAL 86 HA VAL 86 -4.316 -6.464 -5.738 677 HB VAL 86 HB VAL 86 -4.113 -7.189 -2.803 678 HG11 VAL 86 HG11 VAL 86 -2.987 -8.855 -4.210 679 HG12 VAL 86 HG12 VAL 86 -1.839 -7.896 -3.276 680 HG13 VAL 86 HG13 VAL 86 -2.077 -7.561 -4.992 681 HG21 VAL 86 HG21 VAL 86 -2.328 -5.537 -2.782 682 HG22 VAL 86 HG22 VAL 86 -3.868 -4.824 -3.267 683 HG23 VAL 86 HG23 VAL 86 -2.639 -5.183 -4.481 684 H PHE 87 H PHE 87 -3.981 -8.406 -6.654 685 HA PHE 87 HA PHE 87 -5.512 -10.692 -5.676 686 HB2 PHE 87 HB2 PHE 87 -5.928 -11.250 -8.175 687 HB3 PHE 87 HB3 PHE 87 -6.966 -10.073 -7.387 688 HD1 PHE 87 HD1 PHE 87 -6.744 -7.694 -7.889 689 HD2 PHE 87 HD2 PHE 87 -4.458 -10.627 -9.950 690 HE1 PHE 87 HE1 PHE 87 -6.250 -6.063 -9.638 691 HE2 PHE 87 HE2 PHE 87 -3.955 -8.991 -11.718 692 HZ PHE 87 HZ PHE 87 -4.851 -6.704 -11.566 693 H GLN 88 H GLN 88 -4.631 -12.750 -6.226 694 HA GLN 88 HA GLN 88 -1.801 -12.718 -6.273 695 HB2 GLN 88 HB2 GLN 88 -3.485 -14.326 -5.108 696 HB3 GLN 88 HB3 GLN 88 -3.464 -15.177 -6.645 697 HG2 GLN 88 HG2 GLN 88 -1.817 -16.310 -5.570 698 HG3 GLN 88 HG3 GLN 88 -0.856 -15.016 -6.288 699 HE21 GLN 88 HE21 GLN 88 -1.935 -13.025 -4.403 700 HE22 GLN 88 HE22 GLN 88 -1.128 -13.328 -2.908 701 H GLN 89 H GLN 89 -0.520 -12.832 -7.899 702 HA GLN 89 HA GLN 89 -1.490 -13.646 -10.557 703 HB2 GLN 89 HB2 GLN 89 0.961 -12.127 -9.697 704 HB3 GLN 89 HB3 GLN 89 0.712 -12.688 -11.348 705 HG2 GLN 89 HG2 GLN 89 -1.057 -10.784 -9.832 706 HG3 GLN 89 HG3 GLN 89 0.099 -10.365 -11.095 707 HE21 GLN 89 HE21 GLN 89 -2.966 -11.825 -10.396 708 HE22 GLN 89 HE22 GLN 89 -3.540 -11.860 -12.028 709 H GLN 90 H GLN 90 -0.597 -15.353 -8.196 710 HA GLN 90 HA GLN 90 1.609 -16.788 -9.455 711 HB2 GLN 90 HB2 GLN 90 1.677 -16.182 -6.991 712 HB3 GLN 90 HB3 GLN 90 0.364 -17.326 -6.757 713 HG2 GLN 90 HG2 GLN 90 1.790 -19.123 -7.616 714 HG3 GLN 90 HG3 GLN 90 3.101 -17.960 -7.823 715 HE21 GLN 90 HE21 GLN 90 0.896 -17.872 -5.123 716 HE22 GLN 90 HE22 GLN 90 2.043 -18.343 -3.921 717 H THR 91 H THR 91 0.440 -17.695 -11.148 718 HA THR 91 HA THR 91 -1.515 -19.742 -10.354 719 HB THR 91 HB THR 91 -2.549 -19.300 -12.655 720 HG1 THR 91 HG1 THR 91 -0.850 -17.994 -13.462 721 HG21 THR 91 HG21 THR 91 -3.641 -18.636 -10.557 722 HG22 THR 91 HG22 THR 91 -3.907 -17.430 -11.814 723 HG23 THR 91 HG23 THR 91 -2.716 -17.134 -10.546 724 H GLY 92 H GLY 92 -0.812 -21.712 -10.826 725 HA2 GLY 92 HA2 GLY 92 0.228 -23.466 -11.875 726 HA3 GLY 92 HA3 GLY 92 -0.010 -22.561 -13.358 727 H GLY 93 H GLY 93 1.985 -21.749 -10.549 728 HA2 GLY 93 HA2 GLY 93 4.433 -22.557 -11.108 729 HA3 GLY 93 HA3 GLY 93 4.226 -21.330 -12.351 Start of MODEL 19 1 H MET 1 H MET 1 -5.525 49.646 4.232 2 HA MET 1 HA MET 1 -7.180 48.769 1.949 3 HB2 MET 1 HB2 MET 1 -5.602 50.600 1.409 4 HB3 MET 1 HB3 MET 1 -4.283 49.624 2.030 5 HG2 MET 1 HG2 MET 1 -4.290 49.499 -0.353 6 HG3 MET 1 HG3 MET 1 -4.764 47.934 0.299 7 HE1 MET 1 HE1 MET 1 -7.691 50.957 -1.614 8 HE2 MET 1 HE2 MET 1 -5.948 51.202 -1.504 9 HE3 MET 1 HE3 MET 1 -6.939 51.234 -0.044 10 H ALA 2 H ALA 2 -3.932 48.109 3.279 11 HA ALA 2 HA ALA 2 -4.612 45.225 3.194 12 HB1 ALA 2 HB1 ALA 2 -1.895 46.487 2.825 13 HB2 ALA 2 HB2 ALA 2 -2.914 45.852 1.533 14 HB3 ALA 2 HB3 ALA 2 -2.261 44.763 2.758 15 H ASP 3 H ASP 3 -5.142 46.905 5.396 16 HA ASP 3 HA ASP 3 -3.038 46.728 7.345 17 HB2 ASP 3 HB2 ASP 3 -5.955 47.279 7.869 18 HB3 ASP 3 HB3 ASP 3 -4.573 47.765 8.844 19 H GLU 4 H GLU 4 -6.058 45.041 6.688 20 HA GLU 4 HA GLU 4 -5.637 43.277 8.972 21 HB2 GLU 4 HB2 GLU 4 -7.951 43.442 7.045 22 HB3 GLU 4 HB3 GLU 4 -7.897 42.498 8.524 23 HG2 GLU 4 HG2 GLU 4 -7.811 44.499 9.855 24 HG3 GLU 4 HG3 GLU 4 -7.708 45.496 8.404 25 H LYS 5 H LYS 5 -4.007 43.168 6.407 26 HA LYS 5 HA LYS 5 -4.453 40.347 5.933 27 HB2 LYS 5 HB2 LYS 5 -5.588 41.450 4.071 28 HB3 LYS 5 HB3 LYS 5 -4.149 42.398 3.728 29 HG2 LYS 5 HG2 LYS 5 -4.433 40.524 2.162 30 HG3 LYS 5 HG3 LYS 5 -2.936 40.400 3.088 31 HD2 LYS 5 HD2 LYS 5 -4.029 38.804 4.611 32 HD3 LYS 5 HD3 LYS 5 -5.506 38.914 3.650 33 HE2 LYS 5 HE2 LYS 5 -4.192 36.917 3.097 34 HE3 LYS 5 HE3 LYS 5 -4.343 38.007 1.722 35 HZ1 LYS 5 HZ1 LYS 5 -2.088 37.123 1.989 36 HZ2 LYS 5 HZ2 LYS 5 -1.965 37.854 3.506 37 HZ3 LYS 5 HZ3 LYS 5 -2.116 38.803 2.117 38 HA PRO 6 HA PRO 6 -0.048 41.068 6.702 39 HB2 PRO 6 HB2 PRO 6 -0.042 38.373 7.769 40 HB3 PRO 6 HB3 PRO 6 0.238 39.887 8.621 41 HG2 PRO 6 HG2 PRO 6 -1.968 38.325 9.008 42 HG3 PRO 6 HG3 PRO 6 -1.958 40.080 9.258 43 HD2 PRO 6 HD2 PRO 6 -2.971 38.497 6.930 44 HD3 PRO 6 HD3 PRO 6 -3.670 39.933 7.712 45 H LYS 7 H LYS 7 1.858 39.598 6.172 46 HA LYS 7 HA LYS 7 1.612 38.611 3.524 47 HB2 LYS 7 HB2 LYS 7 3.961 38.071 3.653 48 HB3 LYS 7 HB3 LYS 7 3.696 39.646 4.369 49 HG2 LYS 7 HG2 LYS 7 3.867 37.165 6.063 50 HG3 LYS 7 HG3 LYS 7 5.317 38.008 5.528 51 HD2 LYS 7 HD2 LYS 7 3.090 39.154 7.229 52 HD3 LYS 7 HD3 LYS 7 4.702 38.710 7.764 53 HE2 LYS 7 HE2 LYS 7 5.679 40.397 6.312 54 HE3 LYS 7 HE3 LYS 7 4.078 40.839 5.729 55 HZ1 LYS 7 HZ1 LYS 7 3.486 41.612 7.895 56 HZ2 LYS 7 HZ2 LYS 7 4.939 42.346 7.449 57 HZ3 LYS 7 HZ3 LYS 7 4.941 41.072 8.559 58 H GLU 8 H GLU 8 0.673 37.230 6.333 59 HA GLU 8 HA GLU 8 1.569 34.573 5.772 60 HB2 GLU 8 HB2 GLU 8 -0.227 35.709 7.901 61 HB3 GLU 8 HB3 GLU 8 0.093 33.987 7.744 62 HG2 GLU 8 HG2 GLU 8 2.103 36.154 8.293 63 HG3 GLU 8 HG3 GLU 8 1.535 34.915 9.415 64 H GLY 9 H GLY 9 -0.224 32.839 5.963 65 HA2 GLY 9 HA2 GLY 9 -2.611 32.419 5.408 66 HA3 GLY 9 HA3 GLY 9 -2.406 33.596 4.119 67 H VAL 10 H VAL 10 -0.006 31.214 4.998 68 HA VAL 10 HA VAL 10 -0.335 30.020 2.335 69 HB VAL 10 HB VAL 10 2.082 29.920 4.149 70 HG11 VAL 10 HG11 VAL 10 1.734 29.075 1.279 71 HG12 VAL 10 HG12 VAL 10 1.910 27.999 2.665 72 HG13 VAL 10 HG13 VAL 10 3.246 29.048 2.186 73 HG21 VAL 10 HG21 VAL 10 3.113 31.482 2.560 74 HG22 VAL 10 HG22 VAL 10 1.705 32.187 3.353 75 HG23 VAL 10 HG23 VAL 10 1.582 31.605 1.695 76 H LYS 11 H LYS 11 -1.782 28.381 2.667 77 HA LYS 11 HA LYS 11 -1.863 26.745 4.936 78 HB2 LYS 11 HB2 LYS 11 -3.681 27.194 3.208 79 HB3 LYS 11 HB3 LYS 11 -2.855 26.041 2.178 80 HG2 LYS 11 HG2 LYS 11 -4.649 24.908 3.249 81 HG3 LYS 11 HG3 LYS 11 -3.144 24.335 3.970 82 HD2 LYS 11 HD2 LYS 11 -4.783 24.713 5.708 83 HD3 LYS 11 HD3 LYS 11 -3.492 25.902 5.853 84 HE2 LYS 11 HE2 LYS 11 -4.892 27.561 4.712 85 HE3 LYS 11 HE3 LYS 11 -6.180 26.368 4.561 86 HZ1 LYS 11 HZ1 LYS 11 -6.629 27.770 6.416 87 HZ2 LYS 11 HZ2 LYS 11 -5.093 27.518 7.068 88 HZ3 LYS 11 HZ3 LYS 11 -6.208 26.246 7.015 89 H THR 12 H THR 12 -1.191 24.608 5.238 90 HA THR 12 HA THR 12 0.361 23.280 3.195 91 HB THR 12 HB THR 12 2.077 24.640 4.360 92 HG1 THR 12 HG1 THR 12 3.184 22.519 5.270 93 HG21 THR 12 HG21 THR 12 2.651 24.148 6.701 94 HG22 THR 12 HG22 THR 12 1.248 23.083 6.813 95 HG23 THR 12 HG23 THR 12 1.024 24.814 6.554 96 H GLU 13 H GLU 13 0.539 21.033 3.527 97 HA GLU 13 HA GLU 13 -0.152 18.975 4.142 98 HB2 GLU 13 HB2 GLU 13 -0.164 20.240 6.877 99 HB3 GLU 13 HB3 GLU 13 -0.400 18.519 6.594 100 HG2 GLU 13 HG2 GLU 13 2.034 20.139 5.902 101 HG3 GLU 13 HG3 GLU 13 1.890 18.941 7.186 102 H ASN 14 H ASN 14 -2.139 21.266 3.744 103 HA ASN 14 HA ASN 14 -4.488 19.620 4.357 104 HB2 ASN 14 HB2 ASN 14 -4.169 22.582 4.861 105 HB3 ASN 14 HB3 ASN 14 -5.752 21.828 4.706 106 HD21 ASN 14 HD21 ASN 14 -2.873 22.090 6.666 107 HD22 ASN 14 HD22 ASN 14 -3.540 21.348 8.076 108 H ASN 15 H ASN 15 -2.651 20.371 2.069 109 HA ASN 15 HA ASN 15 -4.730 21.183 0.144 110 HB2 ASN 15 HB2 ASN 15 -1.715 21.437 -0.120 111 HB3 ASN 15 HB3 ASN 15 -2.902 21.965 -1.306 112 HD21 ASN 15 HD21 ASN 15 -4.062 23.852 -0.939 113 HD22 ASN 15 HD22 ASN 15 -3.640 24.970 0.308 114 H ASP 16 H ASP 16 -1.991 19.077 0.788 115 HA ASP 16 HA ASP 16 -3.201 17.040 -0.909 116 HB2 ASP 16 HB2 ASP 16 -1.175 16.488 -2.015 117 HB3 ASP 16 HB3 ASP 16 -1.258 18.241 -2.099 118 H HIS 17 H HIS 17 -1.037 15.163 -0.395 119 HA HIS 17 HA HIS 17 -0.236 13.699 1.176 120 HB2 HIS 17 HB2 HIS 17 0.405 15.669 2.471 121 HB3 HIS 17 HB3 HIS 17 -1.165 15.701 3.215 122 HD1 HIS 17 HD1 HIS 17 1.364 15.572 4.951 123 HD2 HIS 17 HD2 HIS 17 -0.730 12.254 3.614 124 HE1 HIS 17 HE1 HIS 17 1.949 13.737 6.546 125 HE2 HIS 17 HE2 HIS 17 0.393 11.880 5.937 126 H ILE 18 H ILE 18 -1.507 12.128 0.836 127 HA ILE 18 HA ILE 18 -4.090 12.240 2.128 128 HB ILE 18 HB ILE 18 -5.062 10.863 0.266 129 HG12 ILE 18 HG12 ILE 18 -2.508 11.581 -1.185 130 HG13 ILE 18 HG13 ILE 18 -2.854 9.989 -0.526 131 HG21 ILE 18 HG21 ILE 18 -5.279 12.720 -1.306 132 HG22 ILE 18 HG22 ILE 18 -3.905 13.527 -0.551 133 HG23 ILE 18 HG23 ILE 18 -5.397 13.286 0.362 134 HD11 ILE 18 HD11 ILE 18 -4.403 11.391 -2.699 135 HD12 ILE 18 HD12 ILE 18 -4.788 9.807 -2.021 136 HD13 ILE 18 HD13 ILE 18 -3.281 10.043 -2.903 137 H ASN 19 H ASN 19 -5.122 9.979 2.227 138 HA ASN 19 HA ASN 19 -3.114 8.080 3.226 139 HB2 ASN 19 HB2 ASN 19 -4.772 8.851 4.885 140 HB3 ASN 19 HB3 ASN 19 -6.075 8.334 3.827 141 HD21 ASN 19 HD21 ASN 19 -3.699 7.362 6.117 142 HD22 ASN 19 HD22 ASN 19 -4.195 5.715 6.244 143 H LEU 20 H LEU 20 -2.974 6.103 2.319 144 HA LEU 20 HA LEU 20 -5.072 5.354 0.408 145 HB2 LEU 20 HB2 LEU 20 -2.090 5.091 0.033 146 HB3 LEU 20 HB3 LEU 20 -3.247 4.183 -0.915 147 HG LEU 20 HG LEU 20 -2.612 5.978 -2.283 148 HD11 LEU 20 HD11 LEU 20 -5.031 5.613 -2.194 149 HD12 LEU 20 HD12 LEU 20 -4.600 7.274 -2.602 150 HD13 LEU 20 HD13 LEU 20 -5.162 6.883 -0.976 151 HD21 LEU 20 HD21 LEU 20 -2.506 8.280 -1.597 152 HD22 LEU 20 HD22 LEU 20 -1.503 7.291 -0.532 153 HD23 LEU 20 HD23 LEU 20 -3.082 7.856 0.016 154 H LYS 21 H LYS 21 -5.809 3.341 0.587 155 HA LYS 21 HA LYS 21 -4.395 1.614 2.487 156 HB2 LYS 21 HB2 LYS 21 -7.355 1.784 1.974 157 HB3 LYS 21 HB3 LYS 21 -6.569 0.679 3.092 158 HG2 LYS 21 HG2 LYS 21 -5.722 2.649 4.347 159 HG3 LYS 21 HG3 LYS 21 -6.690 3.673 3.286 160 HD2 LYS 21 HD2 LYS 21 -7.792 1.464 5.025 161 HD3 LYS 21 HD3 LYS 21 -7.846 3.187 5.406 162 HE2 LYS 21 HE2 LYS 21 -9.224 3.623 3.494 163 HE3 LYS 21 HE3 LYS 21 -9.073 1.962 2.932 164 HZ1 LYS 21 HZ1 LYS 21 -10.235 1.272 4.987 165 HZ2 LYS 21 HZ2 LYS 21 -11.178 2.253 3.994 166 HZ3 LYS 21 HZ3 LYS 21 -10.472 2.897 5.379 167 H VAL 22 H VAL 22 -4.305 -0.528 2.017 168 HA VAL 22 HA VAL 22 -5.124 -1.276 -0.696 169 HB VAL 22 HB VAL 22 -2.715 -0.945 -0.718 170 HG11 VAL 22 HG11 VAL 22 -2.514 -1.227 1.739 171 HG12 VAL 22 HG12 VAL 22 -1.214 -1.876 0.736 172 HG13 VAL 22 HG13 VAL 22 -2.424 -2.963 1.430 173 HG21 VAL 22 HG21 VAL 22 -3.420 -3.863 -0.638 174 HG22 VAL 22 HG22 VAL 22 -1.951 -3.184 -1.335 175 HG23 VAL 22 HG23 VAL 22 -3.519 -2.797 -2.039 176 H ALA 23 H ALA 23 -6.245 -3.097 -0.839 177 HA ALA 23 HA ALA 23 -6.401 -4.789 1.568 178 HB1 ALA 23 HB1 ALA 23 -8.623 -4.077 -0.349 179 HB2 ALA 23 HB2 ALA 23 -8.453 -3.512 1.313 180 HB3 ALA 23 HB3 ALA 23 -8.753 -5.219 0.988 181 H GLY 24 H GLY 24 -6.058 -6.877 1.232 182 HA2 GLY 24 HA2 GLY 24 -5.676 -7.752 -1.555 183 HA3 GLY 24 HA3 GLY 24 -4.852 -8.451 -0.165 184 H GLN 25 H GLN 25 -6.336 -9.880 -2.140 185 HA GLN 25 HA GLN 25 -8.880 -10.600 -1.364 186 HB2 GLN 25 HB2 GLN 25 -8.167 -12.924 -2.376 187 HB3 GLN 25 HB3 GLN 25 -8.366 -11.509 -3.392 188 HG2 GLN 25 HG2 GLN 25 -6.367 -12.800 -3.984 189 HG3 GLN 25 HG3 GLN 25 -5.971 -11.168 -3.453 190 HE21 GLN 25 HE21 GLN 25 -4.707 -10.882 -1.697 191 HE22 GLN 25 HE22 GLN 25 -3.992 -12.173 -0.785 192 H ASP 26 H ASP 26 -5.962 -11.270 0.322 193 HA ASP 26 HA ASP 26 -6.807 -13.573 1.753 194 HB2 ASP 26 HB2 ASP 26 -4.723 -11.467 2.335 195 HB3 ASP 26 HB3 ASP 26 -5.035 -12.806 3.433 196 H GLY 27 H GLY 27 -7.546 -10.228 2.003 197 HA2 GLY 27 HA2 GLY 27 -9.506 -9.551 3.225 198 HA3 GLY 27 HA3 GLY 27 -9.163 -10.820 4.392 199 H SER 28 H SER 28 -6.282 -9.416 3.628 200 HA SER 28 HA SER 28 -6.330 -7.840 6.069 201 HB2 SER 28 HB2 SER 28 -4.503 -9.534 5.645 202 HB3 SER 28 HB3 SER 28 -3.954 -8.521 4.312 203 HG SER 28 HG SER 28 -4.223 -7.595 6.980 204 H VAL 29 H VAL 29 -5.287 -5.702 6.053 205 HA VAL 29 HA VAL 29 -5.184 -4.335 3.509 206 HB VAL 29 HB VAL 29 -7.513 -4.044 3.936 207 HG11 VAL 29 HG11 VAL 29 -6.780 -3.182 6.719 208 HG12 VAL 29 HG12 VAL 29 -7.568 -4.691 6.250 209 HG13 VAL 29 HG13 VAL 29 -8.402 -3.154 6.023 210 HG21 VAL 29 HG21 VAL 29 -6.390 -2.014 3.182 211 HG22 VAL 29 HG22 VAL 29 -6.087 -1.547 4.854 212 HG23 VAL 29 HG23 VAL 29 -7.740 -1.620 4.246 213 H VAL 30 H VAL 30 -3.795 -2.645 3.518 214 HA VAL 30 HA VAL 30 -2.608 -1.947 6.117 215 HB VAL 30 HB VAL 30 -1.084 -1.789 3.528 216 HG11 VAL 30 HG11 VAL 30 -0.229 -0.520 5.426 217 HG12 VAL 30 HG12 VAL 30 0.858 -1.842 4.999 218 HG13 VAL 30 HG13 VAL 30 -0.196 -1.989 6.403 219 HG21 VAL 30 HG21 VAL 30 -1.779 -4.103 3.757 220 HG22 VAL 30 HG22 VAL 30 -1.175 -4.140 5.416 221 HG23 VAL 30 HG23 VAL 30 -0.050 -3.949 4.070 222 H GLN 31 H GLN 31 -2.452 0.221 6.575 223 HA GLN 31 HA GLN 31 -3.482 2.033 4.509 224 HB2 GLN 31 HB2 GLN 31 -3.355 2.527 7.489 225 HB3 GLN 31 HB3 GLN 31 -4.153 3.531 6.298 226 HG2 GLN 31 HG2 GLN 31 -5.964 2.431 7.154 227 HG3 GLN 31 HG3 GLN 31 -5.525 1.334 5.850 228 HE21 GLN 31 HE21 GLN 31 -4.819 -0.683 6.307 229 HE22 GLN 31 HE22 GLN 31 -4.774 -1.351 7.898 230 H PHE 32 H PHE 32 -2.428 3.928 4.001 231 HA PHE 32 HA PHE 32 0.216 4.392 5.229 232 HB2 PHE 32 HB2 PHE 32 -0.197 4.524 2.244 233 HB3 PHE 32 HB3 PHE 32 1.318 4.601 3.130 234 HD1 PHE 32 HD1 PHE 32 -1.417 2.407 2.057 235 HD2 PHE 32 HD2 PHE 32 2.480 2.624 3.748 236 HE1 PHE 32 HE1 PHE 32 -1.147 0.013 1.730 237 HE2 PHE 32 HE2 PHE 32 2.752 0.194 3.426 238 HZ PHE 32 HZ PHE 32 0.916 -1.115 2.412 239 HH31 ALY 33 HH31 ALY 33 -5.467 13.595 4.222 240 HH32 ALY 33 HH32 ALY 33 -6.647 13.692 5.549 241 HH33 ALY 33 HH33 ALY 33 -6.434 12.186 4.629 242 HZ ALY 33 HZ ALY 33 -3.581 12.057 4.626 243 HE3 ALY 33 HE3 ALY 33 -3.038 11.112 7.231 244 HE2 ALY 33 HE2 ALY 33 -4.011 9.936 6.351 245 HD3 ALY 33 HD3 ALY 33 -2.342 9.867 4.582 246 HD2 ALY 33 HD2 ALY 33 -1.390 11.088 5.424 247 HG3 ALY 33 HG3 ALY 33 -1.294 9.463 7.374 248 HG2 ALY 33 HG2 ALY 33 -1.934 8.250 6.258 249 HB3 ALY 33 HB3 ALY 33 0.544 9.869 5.753 250 HB2 ALY 33 HB2 ALY 33 0.544 8.267 6.471 251 HCA ALY 33 HCA ALY 33 -0.909 8.491 3.917 252 H ALY 33 H ALY 33 1.093 6.511 4.719 253 H ILE 34 H ILE 34 -0.091 9.131 2.010 254 HA ILE 34 HA ILE 34 2.719 10.005 1.971 255 HB ILE 34 HB ILE 34 3.056 9.115 -0.249 256 HG12 ILE 34 HG12 ILE 34 0.189 8.158 -0.095 257 HG13 ILE 34 HG13 ILE 34 0.799 9.440 -1.134 258 HG21 ILE 34 HG21 ILE 34 3.495 7.568 1.584 259 HG22 ILE 34 HG22 ILE 34 2.906 6.697 0.167 260 HG23 ILE 34 HG23 ILE 34 1.821 7.010 1.526 261 HD11 ILE 34 HD11 ILE 34 0.446 7.378 -2.376 262 HD12 ILE 34 HD12 ILE 34 1.551 6.528 -1.296 263 HD13 ILE 34 HD13 ILE 34 2.158 7.809 -2.344 264 H LYS 35 H LYS 35 3.120 11.397 -0.036 265 HA LYS 35 HA LYS 35 1.063 13.437 -0.177 266 HB2 LYS 35 HB2 LYS 35 3.836 13.191 -1.353 267 HB3 LYS 35 HB3 LYS 35 2.768 14.538 -1.715 268 HG2 LYS 35 HG2 LYS 35 2.725 15.196 0.598 269 HG3 LYS 35 HG3 LYS 35 3.667 13.776 1.052 270 HD2 LYS 35 HD2 LYS 35 4.696 15.805 -0.910 271 HD3 LYS 35 HD3 LYS 35 4.905 16.011 0.830 272 HE2 LYS 35 HE2 LYS 35 5.798 13.578 -0.710 273 HE3 LYS 35 HE3 LYS 35 6.846 14.946 -0.337 274 HZ1 LYS 35 HZ1 LYS 35 7.060 13.099 1.246 275 HZ2 LYS 35 HZ2 LYS 35 5.446 13.297 1.694 276 HZ3 LYS 35 HZ3 LYS 35 6.562 14.526 1.990 277 H ARG 36 H ARG 36 0.060 14.105 -2.176 278 HA ARG 36 HA ARG 36 -0.631 11.897 -3.853 279 HB2 ARG 36 HB2 ARG 36 -2.077 13.441 -5.054 280 HB3 ARG 36 HB3 ARG 36 -2.290 13.629 -3.329 281 HG2 ARG 36 HG2 ARG 36 -2.213 15.824 -3.909 282 HG3 ARG 36 HG3 ARG 36 -0.481 15.551 -3.721 283 HD2 ARG 36 HD2 ARG 36 -0.241 15.201 -6.105 284 HD3 ARG 36 HD3 ARG 36 -1.982 15.340 -6.330 285 HE ARG 36 HE ARG 36 -0.499 17.614 -5.223 286 HH11 ARG 36 HH11 ARG 36 -2.308 16.200 -7.874 287 HH12 ARG 36 HH12 ARG 36 -2.552 17.697 -8.690 288 HH21 ARG 36 HH21 ARG 36 -0.809 19.603 -6.301 289 HH22 ARG 36 HH22 ARG 36 -1.688 19.654 -7.787 290 H HIS 37 H HIS 37 1.973 13.974 -3.880 291 HA HIS 37 HA HIS 37 2.294 13.921 -6.786 292 HB2 HIS 37 HB2 HIS 37 2.545 16.068 -5.460 293 HB3 HIS 37 HB3 HIS 37 3.966 15.359 -4.714 294 HD1 HIS 37 HD1 HIS 37 2.776 17.057 -7.755 295 HD2 HIS 37 HD2 HIS 37 6.208 15.094 -6.486 296 HE1 HIS 37 HE1 HIS 37 4.561 17.674 -9.415 297 HE2 HIS 37 HE2 HIS 37 6.619 16.438 -8.655 298 H THR 38 H THR 38 2.949 12.033 -4.195 299 HA THR 38 HA THR 38 5.623 11.274 -5.080 300 HB THR 38 HB THR 38 4.624 11.621 -2.521 301 HG1 THR 38 HG1 THR 38 6.852 11.460 -3.352 302 HG21 THR 38 HG21 THR 38 4.761 8.654 -3.079 303 HG22 THR 38 HG22 THR 38 3.333 9.563 -2.580 304 HG23 THR 38 HG23 THR 38 4.695 9.378 -1.474 305 HA PRO 39 HA PRO 39 4.122 7.681 -7.179 306 HB2 PRO 39 HB2 PRO 39 6.173 5.931 -6.721 307 HB3 PRO 39 HB3 PRO 39 6.261 7.251 -7.891 308 HG2 PRO 39 HG2 PRO 39 7.295 7.139 -5.084 309 HG3 PRO 39 HG3 PRO 39 8.085 7.766 -6.540 310 HD2 PRO 39 HD2 PRO 39 6.937 9.403 -4.757 311 HD3 PRO 39 HD3 PRO 39 6.874 9.742 -6.500 312 H LEU 40 H LEU 40 2.677 6.185 -6.632 313 HA LEU 40 HA LEU 40 2.284 5.422 -3.923 314 HB2 LEU 40 HB2 LEU 40 0.526 3.856 -4.950 315 HB3 LEU 40 HB3 LEU 40 0.288 5.582 -5.088 316 HG LEU 40 HG LEU 40 1.171 5.443 -7.437 317 HD11 LEU 40 HD11 LEU 40 0.918 2.479 -6.981 318 HD12 LEU 40 HD12 LEU 40 2.418 3.366 -7.249 319 HD13 LEU 40 HD13 LEU 40 1.210 3.269 -8.530 320 HD21 LEU 40 HD21 LEU 40 -1.207 5.554 -6.972 321 HD22 LEU 40 HD22 LEU 40 -1.266 3.801 -6.782 322 HD23 LEU 40 HD23 LEU 40 -0.891 4.506 -8.356 323 H SER 41 H SER 41 4.228 4.180 -6.377 324 HA SER 41 HA SER 41 4.262 1.457 -5.988 325 HB2 SER 41 HB2 SER 41 6.717 1.686 -6.697 326 HB3 SER 41 HB3 SER 41 5.492 2.321 -7.796 327 HG SER 41 HG SER 41 6.842 3.971 -7.656 328 H LYS 42 H LYS 42 5.517 3.950 -3.949 329 HA LYS 42 HA LYS 42 7.348 2.364 -2.485 330 HB2 LYS 42 HB2 LYS 42 5.942 4.932 -1.747 331 HB3 LYS 42 HB3 LYS 42 7.216 4.191 -0.786 332 HG2 LYS 42 HG2 LYS 42 8.730 4.370 -2.740 333 HG3 LYS 42 HG3 LYS 42 7.457 5.234 -3.598 334 HD2 LYS 42 HD2 LYS 42 8.614 6.136 -0.963 335 HD3 LYS 42 HD3 LYS 42 9.203 6.686 -2.533 336 HE2 LYS 42 HE2 LYS 42 6.928 7.522 -3.041 337 HE3 LYS 42 HE3 LYS 42 6.425 7.052 -1.417 338 HZ1 LYS 42 HZ1 LYS 42 8.643 8.936 -1.945 339 HZ2 LYS 42 HZ2 LYS 42 7.880 8.629 -0.465 340 HZ3 LYS 42 HZ3 LYS 42 7.049 9.434 -1.698 341 H LEU 43 H LEU 43 3.942 3.208 -1.944 342 HA LEU 43 HA LEU 43 3.778 1.723 0.490 343 HB2 LEU 43 HB2 LEU 43 1.499 2.228 0.556 344 HB3 LEU 43 HB3 LEU 43 2.201 3.601 -0.265 345 HG LEU 43 HG LEU 43 1.484 2.310 -2.436 346 HD11 LEU 43 HD11 LEU 43 -0.434 1.163 -0.407 347 HD12 LEU 43 HD12 LEU 43 0.781 0.251 -1.302 348 HD13 LEU 43 HD13 LEU 43 -0.564 1.007 -2.160 349 HD21 LEU 43 HD21 LEU 43 0.611 4.478 -1.733 350 HD22 LEU 43 HD22 LEU 43 -0.512 3.663 -0.639 351 HD23 LEU 43 HD23 LEU 43 -0.670 3.451 -2.381 352 H MET 44 H MET 44 3.286 0.997 -2.893 353 HA MET 44 HA MET 44 1.978 -1.477 -2.532 354 HB2 MET 44 HB2 MET 44 3.677 -0.575 -4.869 355 HB3 MET 44 HB3 MET 44 2.601 -1.964 -4.867 356 HG2 MET 44 HG2 MET 44 0.760 -0.265 -4.272 357 HG3 MET 44 HG3 MET 44 1.915 0.944 -4.828 358 HE1 MET 44 HE1 MET 44 2.942 0.923 -7.358 359 HE2 MET 44 HE2 MET 44 2.480 -0.275 -8.564 360 HE3 MET 44 HE3 MET 44 3.404 -0.766 -7.144 361 H LYS 45 H LYS 45 5.415 -0.681 -3.031 362 HA LYS 45 HA LYS 45 6.280 -3.358 -2.833 363 HB2 LYS 45 HB2 LYS 45 7.729 -0.757 -2.440 364 HB3 LYS 45 HB3 LYS 45 8.523 -2.320 -2.300 365 HG2 LYS 45 HG2 LYS 45 7.557 -2.776 -4.636 366 HG3 LYS 45 HG3 LYS 45 7.323 -1.031 -4.710 367 HD2 LYS 45 HD2 LYS 45 9.667 -0.645 -4.371 368 HD3 LYS 45 HD3 LYS 45 9.945 -2.365 -4.084 369 HE2 LYS 45 HE2 LYS 45 9.251 -2.863 -6.364 370 HE3 LYS 45 HE3 LYS 45 8.979 -1.145 -6.660 371 HZ1 LYS 45 HZ1 LYS 45 11.131 -1.867 -7.507 372 HZ2 LYS 45 HZ2 LYS 45 11.592 -2.376 -5.965 373 HZ3 LYS 45 HZ3 LYS 45 11.330 -0.736 -6.266 374 H ALA 46 H ALA 46 5.712 -0.842 -0.457 375 HA ALA 46 HA ALA 46 6.932 -2.136 1.735 376 HB1 ALA 46 HB1 ALA 46 6.312 0.238 1.772 377 HB2 ALA 46 HB2 ALA 46 5.599 -0.636 3.130 378 HB3 ALA 46 HB3 ALA 46 4.606 -0.210 1.734 379 H TYR 47 H TYR 47 3.713 -2.283 0.312 380 HA TYR 47 HA TYR 47 2.435 -3.855 2.221 381 HB2 TYR 47 HB2 TYR 47 1.194 -2.733 0.479 382 HB3 TYR 47 HB3 TYR 47 2.026 -3.653 -0.766 383 HD1 TYR 47 HD1 TYR 47 -0.566 -3.738 1.800 384 HD2 TYR 47 HD2 TYR 47 1.402 -5.968 -1.225 385 HE1 TYR 47 HE1 TYR 47 -2.364 -5.398 1.880 386 HE2 TYR 47 HE2 TYR 47 -0.385 -7.650 -1.171 387 HH TYR 47 HH TYR 47 -2.108 -8.443 0.551 388 H CYS 48 H CYS 48 4.002 -4.882 -0.838 389 HA CYS 48 HA CYS 48 3.587 -7.615 -0.358 390 HB2 CYS 48 HB2 CYS 48 5.267 -7.993 -2.158 391 HB3 CYS 48 HB3 CYS 48 3.994 -6.866 -2.604 392 HG CYS 48 HG CYS 48 6.554 -5.182 -1.378 393 H GLU 49 H GLU 49 6.291 -5.498 0.457 394 HA GLU 49 HA GLU 49 8.023 -7.551 1.287 395 HB2 GLU 49 HB2 GLU 49 7.916 -4.614 1.938 396 HB3 GLU 49 HB3 GLU 49 9.174 -5.680 2.552 397 HG2 GLU 49 HG2 GLU 49 9.777 -6.247 0.232 398 HG3 GLU 49 HG3 GLU 49 8.560 -5.107 -0.333 399 H ARG 50 H ARG 50 5.535 -5.726 3.024 400 HA ARG 50 HA ARG 50 6.296 -6.943 5.535 401 HB2 ARG 50 HB2 ARG 50 4.457 -5.701 6.524 402 HB3 ARG 50 HB3 ARG 50 5.406 -4.644 5.495 403 HG2 ARG 50 HG2 ARG 50 3.732 -4.752 3.763 404 HG3 ARG 50 HG3 ARG 50 2.804 -5.931 4.693 405 HD2 ARG 50 HD2 ARG 50 3.365 -3.068 5.471 406 HD3 ARG 50 HD3 ARG 50 1.836 -3.729 4.913 407 HE ARG 50 HE ARG 50 2.257 -5.279 7.007 408 HH11 ARG 50 HH11 ARG 50 2.709 -1.797 6.780 409 HH12 ARG 50 HH12 ARG 50 2.244 -1.524 8.423 410 HH21 ARG 50 HH21 ARG 50 1.663 -4.900 9.156 411 HH22 ARG 50 HH22 ARG 50 1.641 -3.285 9.777 412 H GLN 51 H GLN 51 3.857 -7.457 3.063 413 HA GLN 51 HA GLN 51 2.329 -9.309 4.625 414 HB2 GLN 51 HB2 GLN 51 2.316 -8.624 1.703 415 HB3 GLN 51 HB3 GLN 51 1.209 -9.781 2.439 416 HG2 GLN 51 HG2 GLN 51 1.492 -6.913 3.216 417 HG3 GLN 51 HG3 GLN 51 0.253 -7.562 2.139 418 HE21 GLN 51 HE21 GLN 51 1.433 -7.485 5.423 419 HE22 GLN 51 HE22 GLN 51 -0.008 -8.078 6.166 420 H GLY 52 H GLY 52 5.087 -9.526 2.643 421 HA2 GLY 52 HA2 GLY 52 6.488 -11.390 2.468 422 HA3 GLY 52 HA3 GLY 52 5.196 -12.382 3.140 423 H LEU 53 H LEU 53 5.082 -10.172 0.411 424 HA LEU 53 HA LEU 53 4.588 -12.442 -1.380 425 HB2 LEU 53 HB2 LEU 53 3.018 -9.881 -1.181 426 HB3 LEU 53 HB3 LEU 53 3.040 -10.839 -2.644 427 HG LEU 53 HG LEU 53 1.065 -11.366 -1.540 428 HD11 LEU 53 HD11 LEU 53 1.236 -13.729 -1.034 429 HD12 LEU 53 HD12 LEU 53 2.983 -13.580 -0.867 430 HD13 LEU 53 HD13 LEU 53 2.221 -13.311 -2.436 431 HD21 LEU 53 HD21 LEU 53 0.916 -12.109 0.784 432 HD22 LEU 53 HD22 LEU 53 1.525 -10.460 0.622 433 HD23 LEU 53 HD23 LEU 53 2.639 -11.781 0.977 434 H SER 54 H SER 54 4.887 -11.724 -3.722 435 HA SER 54 HA SER 54 7.010 -9.703 -3.849 436 HB2 SER 54 HB2 SER 54 6.693 -12.291 -5.372 437 HB3 SER 54 HB3 SER 54 7.920 -11.086 -5.729 438 HG SER 54 HG SER 54 8.654 -11.372 -3.534 439 H MET 55 H MET 55 7.164 -8.536 -5.897 440 HA MET 55 HA MET 55 4.686 -7.599 -6.841 441 HB2 MET 55 HB2 MET 55 7.520 -7.217 -7.750 442 HB3 MET 55 HB3 MET 55 6.188 -6.586 -8.713 443 HG2 MET 55 HG2 MET 55 6.707 -5.953 -5.824 444 HG3 MET 55 HG3 MET 55 7.112 -4.918 -7.195 445 HE1 MET 55 HE1 MET 55 5.195 -4.463 -4.526 446 HE2 MET 55 HE2 MET 55 3.965 -3.401 -5.213 447 HE3 MET 55 HE3 MET 55 5.670 -3.136 -5.589 448 H ARG 56 H ARG 56 6.724 -10.153 -7.906 449 HA ARG 56 HA ARG 56 5.343 -10.484 -10.429 450 HB2 ARG 56 HB2 ARG 56 6.782 -12.554 -10.627 451 HB3 ARG 56 HB3 ARG 56 7.657 -11.036 -10.528 452 HG2 ARG 56 HG2 ARG 56 7.190 -12.489 -7.988 453 HG3 ARG 56 HG3 ARG 56 8.335 -13.197 -9.123 454 HD2 ARG 56 HD2 ARG 56 8.447 -10.367 -8.066 455 HD3 ARG 56 HD3 ARG 56 9.429 -11.711 -7.489 456 HE ARG 56 HE ARG 56 9.868 -11.590 -10.191 457 HH11 ARG 56 HH11 ARG 56 10.268 -9.365 -7.494 458 HH12 ARG 56 HH12 ARG 56 11.600 -8.534 -8.224 459 HH21 ARG 56 HH21 ARG 56 11.624 -10.474 -11.142 460 HH22 ARG 56 HH22 ARG 56 12.380 -9.170 -10.286 461 H GLN 57 H GLN 57 4.867 -11.334 -7.247 462 HA GLN 57 HA GLN 57 3.397 -13.794 -7.822 463 HB2 GLN 57 HB2 GLN 57 4.648 -12.585 -5.436 464 HB3 GLN 57 HB3 GLN 57 3.162 -13.489 -5.146 465 HG2 GLN 57 HG2 GLN 57 5.130 -14.876 -4.845 466 HG3 GLN 57 HG3 GLN 57 4.151 -15.455 -6.188 467 HE21 GLN 57 HE21 GLN 57 4.922 -15.118 -8.314 468 HE22 GLN 57 HE22 GLN 57 6.601 -14.859 -8.618 469 H ILE 58 H ILE 58 2.834 -10.461 -7.032 470 HA ILE 58 HA ILE 58 -0.056 -11.002 -7.059 471 HB ILE 58 HB ILE 58 -0.510 -9.478 -5.264 472 HG12 ILE 58 HG12 ILE 58 2.467 -8.929 -5.250 473 HG13 ILE 58 HG13 ILE 58 1.183 -7.806 -5.678 474 HG21 ILE 58 HG21 ILE 58 1.743 -11.299 -4.443 475 HG22 ILE 58 HG22 ILE 58 0.048 -11.761 -4.607 476 HG23 ILE 58 HG23 ILE 58 0.530 -10.601 -3.367 477 HD11 ILE 58 HD11 ILE 58 2.069 -7.333 -3.467 478 HD12 ILE 58 HD12 ILE 58 1.656 -8.964 -2.941 479 HD13 ILE 58 HD13 ILE 58 0.380 -7.829 -3.381 480 H ARG 59 H ARG 59 -1.205 -8.764 -7.141 481 HA ARG 59 HA ARG 59 0.225 -6.740 -8.592 482 HB2 ARG 59 HB2 ARG 59 -1.700 -8.547 -9.961 483 HB3 ARG 59 HB3 ARG 59 -1.705 -6.860 -10.427 484 HG2 ARG 59 HG2 ARG 59 0.607 -8.786 -10.572 485 HG3 ARG 59 HG3 ARG 59 -0.290 -8.092 -11.923 486 HD2 ARG 59 HD2 ARG 59 0.520 -5.858 -11.283 487 HD3 ARG 59 HD3 ARG 59 1.444 -6.573 -9.968 488 HE ARG 59 HE ARG 59 1.997 -7.614 -12.617 489 HH11 ARG 59 HH11 ARG 59 2.951 -5.383 -10.077 490 HH12 ARG 59 HH12 ARG 59 4.566 -5.203 -10.654 491 HH21 ARG 59 HH21 ARG 59 4.157 -7.405 -13.375 492 HH22 ARG 59 HH22 ARG 59 5.265 -6.373 -12.536 493 H PHE 60 H PHE 60 -0.801 -4.787 -8.707 494 HA PHE 60 HA PHE 60 -3.016 -4.504 -6.811 495 HB2 PHE 60 HB2 PHE 60 -0.939 -2.524 -7.771 496 HB3 PHE 60 HB3 PHE 60 -2.222 -2.156 -6.625 497 HD1 PHE 60 HD1 PHE 60 0.682 -4.438 -7.122 498 HD2 PHE 60 HD2 PHE 60 -1.829 -2.401 -4.371 499 HE1 PHE 60 HE1 PHE 60 2.140 -5.148 -5.278 500 HE2 PHE 60 HE2 PHE 60 -0.378 -3.101 -2.518 501 HZ PHE 60 HZ PHE 60 1.608 -4.485 -2.966 502 H ARG 61 H ARG 61 -4.841 -3.356 -7.376 503 HA ARG 61 HA ARG 61 -4.982 -2.137 -10.026 504 HB2 ARG 61 HB2 ARG 61 -5.717 -4.404 -10.418 505 HB3 ARG 61 HB3 ARG 61 -6.811 -4.333 -9.042 506 HG2 ARG 61 HG2 ARG 61 -7.223 -2.344 -11.195 507 HG3 ARG 61 HG3 ARG 61 -7.612 -4.024 -11.567 508 HD2 ARG 61 HD2 ARG 61 -8.606 -2.678 -9.083 509 HD3 ARG 61 HD3 ARG 61 -9.474 -2.535 -10.609 510 HE ARG 61 HE ARG 61 -9.151 -5.195 -10.339 511 HH11 ARG 61 HH11 ARG 61 -10.482 -2.720 -8.269 512 HH12 ARG 61 HH12 ARG 61 -11.507 -3.800 -7.400 513 HH21 ARG 61 HH21 ARG 61 -10.498 -6.650 -9.176 514 HH22 ARG 61 HH22 ARG 61 -11.513 -6.054 -7.913 515 H PHE 62 H PHE 62 -6.360 -0.442 -10.176 516 HA PHE 62 HA PHE 62 -8.251 0.110 -8.043 517 HB2 PHE 62 HB2 PHE 62 -6.164 1.186 -7.293 518 HB3 PHE 62 HB3 PHE 62 -6.074 2.077 -8.808 519 HD1 PHE 62 HD1 PHE 62 -7.815 1.719 -5.610 520 HD2 PHE 62 HD2 PHE 62 -7.479 4.010 -9.178 521 HE1 PHE 62 HE1 PHE 62 -9.136 3.524 -4.578 522 HE2 PHE 62 HE2 PHE 62 -8.792 5.815 -8.155 523 HZ PHE 62 HZ PHE 62 -9.620 5.581 -5.853 524 H ASP 63 H ASP 63 -9.857 1.555 -8.694 525 HA ASP 63 HA ASP 63 -11.430 2.380 -10.190 526 HB2 ASP 63 HB2 ASP 63 -9.427 3.927 -10.504 527 HB3 ASP 63 HB3 ASP 63 -9.096 3.043 -11.966 528 H GLY 64 H GLY 64 -10.306 -0.373 -10.502 529 HA2 GLY 64 HA2 GLY 64 -10.923 -2.118 -11.804 530 HA3 GLY 64 HA3 GLY 64 -11.683 -1.024 -12.935 531 H GLN 65 H GLN 65 -8.581 0.078 -12.411 532 HA GLN 65 HA GLN 65 -7.589 -1.433 -14.730 533 HB2 GLN 65 HB2 GLN 65 -6.229 0.614 -15.241 534 HB3 GLN 65 HB3 GLN 65 -7.965 0.829 -15.413 535 HG2 GLN 65 HG2 GLN 65 -8.037 1.914 -13.232 536 HG3 GLN 65 HG3 GLN 65 -6.295 1.723 -13.076 537 HE21 GLN 65 HE21 GLN 65 -5.967 3.907 -12.934 538 HE22 GLN 65 HE22 GLN 65 -6.136 4.980 -14.278 539 HA PRO 66 HA PRO 66 -4.261 -2.827 -12.210 540 HB2 PRO 66 HB2 PRO 66 -2.295 -3.099 -14.083 541 HB3 PRO 66 HB3 PRO 66 -3.646 -4.228 -13.929 542 HG2 PRO 66 HG2 PRO 66 -3.283 -1.960 -15.845 543 HG3 PRO 66 HG3 PRO 66 -3.928 -3.585 -16.144 544 HD2 PRO 66 HD2 PRO 66 -5.516 -1.412 -15.838 545 HD3 PRO 66 HD3 PRO 66 -6.014 -3.039 -15.323 546 H ILE 67 H ILE 67 -2.605 -1.965 -11.018 547 HA ILE 67 HA ILE 67 -1.801 0.774 -11.712 548 HB ILE 67 HB ILE 67 -1.299 -0.672 -9.110 549 HG12 ILE 67 HG12 ILE 67 -3.641 1.132 -9.772 550 HG13 ILE 67 HG13 ILE 67 -3.722 -0.611 -9.536 551 HG21 ILE 67 HG21 ILE 67 -1.357 2.255 -9.820 552 HG22 ILE 67 HG22 ILE 67 0.079 1.283 -9.499 553 HG23 ILE 67 HG23 ILE 67 -1.081 1.594 -8.207 554 HD11 ILE 67 HD11 ILE 67 -2.975 1.447 -7.480 555 HD12 ILE 67 HD12 ILE 67 -2.909 -0.296 -7.232 556 HD13 ILE 67 HD13 ILE 67 -4.453 0.488 -7.547 557 H ASN 68 H ASN 68 0.300 1.335 -11.988 558 HA ASN 68 HA ASN 68 2.240 -0.871 -11.965 559 HB2 ASN 68 HB2 ASN 68 2.742 1.697 -13.429 560 HB3 ASN 68 HB3 ASN 68 3.401 0.098 -13.725 561 HD21 ASN 68 HD21 ASN 68 0.911 2.317 -14.357 562 HD22 ASN 68 HD22 ASN 68 0.085 1.383 -15.544 563 H GLU 69 H GLU 69 4.492 -0.014 -11.589 564 HA GLU 69 HA GLU 69 4.522 1.406 -9.129 565 HB2 GLU 69 HB2 GLU 69 6.997 1.161 -9.346 566 HB3 GLU 69 HB3 GLU 69 6.124 -0.357 -9.514 567 HG2 GLU 69 HG2 GLU 69 6.262 0.025 -12.025 568 HG3 GLU 69 HG3 GLU 69 7.437 1.284 -11.652 569 H THR 70 H THR 70 4.636 2.279 -12.410 570 HA THR 70 HA THR 70 6.090 4.691 -12.122 571 HB THR 70 HB THR 70 5.268 5.024 -14.502 572 HG1 THR 70 HG1 THR 70 3.850 3.605 -15.230 573 HG21 THR 70 HG21 THR 70 6.738 3.222 -15.347 574 HG22 THR 70 HG22 THR 70 6.745 2.505 -13.733 575 HG23 THR 70 HG23 THR 70 7.459 4.096 -13.994 576 H ASP 71 H ASP 71 2.713 3.816 -11.753 577 HA ASP 71 HA ASP 71 1.726 6.351 -12.428 578 HB2 ASP 71 HB2 ASP 71 0.729 3.776 -11.414 579 HB3 ASP 71 HB3 ASP 71 -0.254 5.191 -11.078 580 H THR 72 H THR 72 0.725 7.819 -11.034 581 HA THR 72 HA THR 72 1.579 7.721 -8.224 582 HB THR 72 HB THR 72 0.941 10.289 -8.473 583 HG1 THR 72 HG1 THR 72 1.963 9.753 -11.061 584 HG21 THR 72 HG21 THR 72 3.545 9.065 -9.383 585 HG22 THR 72 HG22 THR 72 3.094 9.546 -7.741 586 HG23 THR 72 HG23 THR 72 3.317 10.772 -8.988 587 HA PRO 73 HA PRO 73 -2.609 7.533 -6.843 588 HB2 PRO 73 HB2 PRO 73 -2.575 9.513 -4.895 589 HB3 PRO 73 HB3 PRO 73 -2.018 7.852 -4.655 590 HG2 PRO 73 HG2 PRO 73 -0.423 10.314 -5.279 591 HG3 PRO 73 HG3 PRO 73 -0.049 8.988 -4.159 592 HD2 PRO 73 HD2 PRO 73 1.101 9.178 -6.547 593 HD3 PRO 73 HD3 PRO 73 0.641 7.594 -5.881 594 H ALA 74 H ALA 74 -1.245 10.643 -7.667 595 HA ALA 74 HA ALA 74 -3.723 12.037 -7.741 596 HB1 ALA 74 HB1 ALA 74 -1.625 13.178 -7.308 597 HB2 ALA 74 HB2 ALA 74 -2.413 13.846 -8.748 598 HB3 ALA 74 HB3 ALA 74 -1.048 12.735 -8.917 599 H GLN 75 H GLN 75 -2.089 9.968 -9.938 600 HA GLN 75 HA GLN 75 -3.140 11.011 -12.369 601 HB2 GLN 75 HB2 GLN 75 -1.958 8.385 -11.562 602 HB3 GLN 75 HB3 GLN 75 -2.631 8.602 -13.173 603 HG2 GLN 75 HG2 GLN 75 -0.341 10.106 -11.924 604 HG3 GLN 75 HG3 GLN 75 -0.248 8.910 -13.214 605 HE21 GLN 75 HE21 GLN 75 -0.969 12.184 -12.393 606 HE22 GLN 75 HE22 GLN 75 -1.159 12.767 -14.005 607 H LEU 76 H LEU 76 -4.256 8.633 -10.043 608 HA LEU 76 HA LEU 76 -6.532 7.941 -11.705 609 HB2 LEU 76 HB2 LEU 76 -6.102 7.020 -8.880 610 HB3 LEU 76 HB3 LEU 76 -6.982 6.221 -10.169 611 HG LEU 76 HG LEU 76 -4.472 6.270 -11.223 612 HD11 LEU 76 HD11 LEU 76 -4.136 5.875 -8.259 613 HD12 LEU 76 HD12 LEU 76 -3.534 7.244 -9.192 614 HD13 LEU 76 HD13 LEU 76 -2.902 5.624 -9.493 615 HD21 LEU 76 HD21 LEU 76 -4.352 3.927 -10.661 616 HD22 LEU 76 HD22 LEU 76 -6.022 4.344 -11.054 617 HD23 LEU 76 HD23 LEU 76 -5.531 4.143 -9.371 618 H GLU 77 H GLU 77 -5.767 10.421 -9.732 619 HA GLU 77 HA GLU 77 -6.868 12.020 -8.572 620 HB2 GLU 77 HB2 GLU 77 -9.135 11.125 -10.359 621 HB3 GLU 77 HB3 GLU 77 -9.105 12.627 -9.442 622 HG2 GLU 77 HG2 GLU 77 -7.098 13.316 -10.683 623 HG3 GLU 77 HG3 GLU 77 -7.203 11.837 -11.633 624 H MET 78 H MET 78 -6.687 9.594 -7.296 625 HA MET 78 HA MET 78 -9.193 8.846 -6.139 626 HB2 MET 78 HB2 MET 78 -7.891 7.264 -4.857 627 HB3 MET 78 HB3 MET 78 -7.336 7.255 -6.528 628 HG2 MET 78 HG2 MET 78 -5.634 9.027 -5.555 629 HG3 MET 78 HG3 MET 78 -5.947 8.132 -4.072 630 HE1 MET 78 HE1 MET 78 -6.601 5.251 -5.604 631 HE2 MET 78 HE2 MET 78 -5.778 5.380 -4.050 632 HE3 MET 78 HE3 MET 78 -5.044 4.461 -5.366 633 H GLU 79 H GLU 79 -9.288 8.726 -3.654 634 HA GLU 79 HA GLU 79 -8.500 11.370 -2.583 635 HB2 GLU 79 HB2 GLU 79 -10.560 11.326 -1.287 636 HB3 GLU 79 HB3 GLU 79 -10.926 11.131 -2.999 637 HG2 GLU 79 HG2 GLU 79 -10.942 8.628 -2.547 638 HG3 GLU 79 HG3 GLU 79 -10.947 9.056 -0.845 639 H ASP 80 H ASP 80 -8.364 11.351 -0.074 640 HA ASP 80 HA ASP 80 -6.728 9.304 0.786 641 HB2 ASP 80 HB2 ASP 80 -6.960 10.272 3.011 642 HB3 ASP 80 HB3 ASP 80 -6.756 11.542 1.811 643 H GLU 81 H GLU 81 -6.988 7.613 2.030 644 HA GLU 81 HA GLU 81 -7.848 5.813 3.041 645 HB2 GLU 81 HB2 GLU 81 -10.413 7.401 3.168 646 HB3 GLU 81 HB3 GLU 81 -10.169 5.837 3.936 647 HG2 GLU 81 HG2 GLU 81 -8.237 6.871 5.177 648 HG3 GLU 81 HG3 GLU 81 -8.770 8.422 4.544 649 H ASP 82 H ASP 82 -8.139 6.507 0.063 650 HA ASP 82 HA ASP 82 -10.237 4.826 -0.867 651 HB2 ASP 82 HB2 ASP 82 -8.141 6.392 -2.087 652 HB3 ASP 82 HB3 ASP 82 -8.238 4.809 -2.852 653 H THR 83 H THR 83 -9.995 2.743 -1.966 654 HA THR 83 HA THR 83 -8.025 1.125 -0.510 655 HB THR 83 HB THR 83 -10.755 0.304 -1.521 656 HG1 THR 83 HG1 THR 83 -10.997 1.568 0.280 657 HG21 THR 83 HG21 THR 83 -10.364 -1.760 -0.247 658 HG22 THR 83 HG22 THR 83 -8.737 -1.211 0.150 659 HG23 THR 83 HG23 THR 83 -9.163 -1.569 -1.524 660 H ILE 84 H ILE 84 -6.673 -0.101 -1.548 661 HA ILE 84 HA ILE 84 -6.721 -0.256 -4.478 662 HB ILE 84 HB ILE 84 -4.555 -1.109 -2.537 663 HG12 ILE 84 HG12 ILE 84 -4.930 1.324 -2.443 664 HG13 ILE 84 HG13 ILE 84 -3.361 0.929 -3.133 665 HG21 ILE 84 HG21 ILE 84 -4.556 -0.836 -5.529 666 HG22 ILE 84 HG22 ILE 84 -4.330 -2.308 -4.572 667 HG23 ILE 84 HG23 ILE 84 -3.103 -1.037 -4.550 668 HD11 ILE 84 HD11 ILE 84 -5.820 1.767 -4.641 669 HD12 ILE 84 HD12 ILE 84 -4.277 1.313 -5.367 670 HD13 ILE 84 HD13 ILE 84 -4.381 2.740 -4.334 671 H ASP 85 H ASP 85 -6.853 -2.244 -5.536 672 HA ASP 85 HA ASP 85 -7.576 -4.521 -3.831 673 HB2 ASP 85 HB2 ASP 85 -8.228 -3.819 -6.679 674 HB3 ASP 85 HB3 ASP 85 -8.446 -5.454 -6.062 675 H VAL 86 H VAL 86 -6.213 -6.129 -3.618 676 HA VAL 86 HA VAL 86 -4.101 -6.484 -5.653 677 HB VAL 86 HB VAL 86 -3.992 -7.176 -2.712 678 HG11 VAL 86 HG11 VAL 86 -2.736 -8.780 -4.074 679 HG12 VAL 86 HG12 VAL 86 -1.659 -7.771 -3.111 680 HG13 VAL 86 HG13 VAL 86 -1.863 -7.449 -4.835 681 HG21 VAL 86 HG21 VAL 86 -2.562 -5.070 -4.307 682 HG22 VAL 86 HG22 VAL 86 -2.266 -5.448 -2.609 683 HG23 VAL 86 HG23 VAL 86 -3.830 -4.799 -3.110 684 H PHE 87 H PHE 87 -3.779 -8.434 -6.534 685 HA PHE 87 HA PHE 87 -5.281 -10.722 -5.536 686 HB2 PHE 87 HB2 PHE 87 -5.825 -11.266 -8.004 687 HB3 PHE 87 HB3 PHE 87 -6.803 -10.050 -7.194 688 HD1 PHE 87 HD1 PHE 87 -6.574 -7.697 -7.762 689 HD2 PHE 87 HD2 PHE 87 -4.359 -10.689 -9.810 690 HE1 PHE 87 HE1 PHE 87 -6.079 -6.098 -9.547 691 HE2 PHE 87 HE2 PHE 87 -3.854 -9.092 -11.611 692 HZ PHE 87 HZ PHE 87 -4.715 -6.788 -11.483 693 H GLN 88 H GLN 88 -4.416 -12.781 -6.254 694 HA GLN 88 HA GLN 88 -1.558 -12.656 -6.386 695 HB2 GLN 88 HB2 GLN 88 -2.916 -14.274 -5.000 696 HB3 GLN 88 HB3 GLN 88 -3.297 -15.103 -6.503 697 HG2 GLN 88 HG2 GLN 88 -1.500 -16.336 -6.003 698 HG3 GLN 88 HG3 GLN 88 -0.614 -14.972 -6.683 699 HE21 GLN 88 HE21 GLN 88 -1.331 -13.264 -4.377 700 HE22 GLN 88 HE22 GLN 88 -0.315 -13.787 -3.084 701 H GLN 89 H GLN 89 -0.556 -12.384 -8.221 702 HA GLN 89 HA GLN 89 -1.583 -13.529 -10.709 703 HB2 GLN 89 HB2 GLN 89 0.594 -11.560 -10.093 704 HB3 GLN 89 HB3 GLN 89 0.474 -12.314 -11.676 705 HG2 GLN 89 HG2 GLN 89 -1.589 -10.600 -10.330 706 HG3 GLN 89 HG3 GLN 89 -0.589 -10.170 -11.716 707 HE21 GLN 89 HE21 GLN 89 -3.333 -11.882 -10.609 708 HE22 GLN 89 HE22 GLN 89 -3.968 -12.331 -12.152 709 H GLN 90 H GLN 90 -0.380 -15.142 -8.521 710 HA GLN 90 HA GLN 90 1.912 -16.241 -9.970 711 HB2 GLN 90 HB2 GLN 90 2.360 -15.504 -7.636 712 HB3 GLN 90 HB3 GLN 90 1.156 -16.644 -7.067 713 HG2 GLN 90 HG2 GLN 90 3.360 -17.711 -8.733 714 HG3 GLN 90 HG3 GLN 90 3.761 -17.190 -7.100 715 HE21 GLN 90 HE21 GLN 90 1.179 -17.913 -6.017 716 HE22 GLN 90 HE22 GLN 90 1.141 -19.642 -5.936 717 H THR 91 H THR 91 1.092 -17.670 -11.346 718 HA THR 91 HA THR 91 -0.372 -19.921 -10.252 719 HB THR 91 HB THR 91 -2.157 -18.416 -11.034 720 HG1 THR 91 HG1 THR 91 -3.028 -20.263 -11.555 721 HG21 THR 91 HG21 THR 91 -0.790 -18.598 -13.723 722 HG22 THR 91 HG22 THR 91 -0.888 -17.155 -12.711 723 HG23 THR 91 HG23 THR 91 -2.354 -17.839 -13.418 724 H GLY 92 H GLY 92 0.019 -21.816 -11.333 725 HA2 GLY 92 HA2 GLY 92 0.619 -22.941 -13.394 726 HA3 GLY 92 HA3 GLY 92 1.723 -21.612 -13.719 727 H GLY 93 H GLY 93 2.192 -24.490 -13.519 728 HA2 GLY 93 HA2 GLY 93 4.682 -24.703 -12.657 729 HA3 GLY 93 HA3 GLY 93 3.826 -24.725 -11.121 Start of MODEL 20 1 H MET 1 H MET 1 21.572 19.498 9.526 2 HA MET 1 HA MET 1 21.202 19.337 7.165 3 HB2 MET 1 HB2 MET 1 18.761 19.282 7.214 4 HB3 MET 1 HB3 MET 1 19.426 18.643 8.707 5 HG2 MET 1 HG2 MET 1 18.930 20.728 9.848 6 HG3 MET 1 HG3 MET 1 18.310 21.416 8.347 7 HE1 MET 1 HE1 MET 1 16.056 22.085 9.575 8 HE2 MET 1 HE2 MET 1 16.675 21.409 11.081 9 HE3 MET 1 HE3 MET 1 15.072 20.955 10.504 10 H ALA 2 H ALA 2 21.636 22.447 8.117 11 HA ALA 2 HA ALA 2 20.017 23.771 6.129 12 HB1 ALA 2 HB1 ALA 2 20.530 24.879 8.250 13 HB2 ALA 2 HB2 ALA 2 21.133 25.813 6.883 14 HB3 ALA 2 HB3 ALA 2 22.246 24.850 7.853 15 H ASP 3 H ASP 3 22.555 21.865 5.791 16 HA ASP 3 HA ASP 3 24.160 23.428 3.976 17 HB2 ASP 3 HB2 ASP 3 25.403 21.338 3.607 18 HB3 ASP 3 HB3 ASP 3 25.223 21.678 5.322 19 H GLU 4 H GLU 4 21.238 21.697 3.743 20 HA GLU 4 HA GLU 4 21.597 21.504 0.864 21 HB2 GLU 4 HB2 GLU 4 19.642 20.154 2.731 22 HB3 GLU 4 HB3 GLU 4 19.560 20.057 0.979 23 HG2 GLU 4 HG2 GLU 4 21.764 18.990 0.953 24 HG3 GLU 4 HG3 GLU 4 21.801 19.053 2.714 25 H LYS 5 H LYS 5 20.315 22.668 -0.402 26 HA LYS 5 HA LYS 5 18.652 24.047 -1.151 27 HB2 LYS 5 HB2 LYS 5 17.523 23.319 1.510 28 HB3 LYS 5 HB3 LYS 5 16.864 24.735 0.716 29 HG2 LYS 5 HG2 LYS 5 15.470 22.830 0.245 30 HG3 LYS 5 HG3 LYS 5 16.283 23.322 -1.236 31 HD2 LYS 5 HD2 LYS 5 17.545 21.206 0.445 32 HD3 LYS 5 HD3 LYS 5 16.130 20.781 -0.516 33 HE2 LYS 5 HE2 LYS 5 18.666 22.031 -1.572 34 HE3 LYS 5 HE3 LYS 5 18.230 20.328 -1.709 35 HZ1 LYS 5 HZ1 LYS 5 16.311 20.959 -3.023 36 HZ2 LYS 5 HZ2 LYS 5 17.727 21.539 -3.730 37 HZ3 LYS 5 HZ3 LYS 5 16.715 22.597 -2.892 38 HA PRO 6 HA PRO 6 20.131 28.012 0.112 39 HB2 PRO 6 HB2 PRO 6 18.340 29.631 -1.083 40 HB3 PRO 6 HB3 PRO 6 19.474 28.658 -2.029 41 HG2 PRO 6 HG2 PRO 6 16.588 28.158 -1.430 42 HG3 PRO 6 HG3 PRO 6 17.472 27.934 -2.950 43 HD2 PRO 6 HD2 PRO 6 16.874 25.911 -1.196 44 HD3 PRO 6 HD3 PRO 6 18.236 25.873 -2.330 45 H LYS 7 H LYS 7 18.630 30.293 0.669 46 HA LYS 7 HA LYS 7 17.614 29.664 3.273 47 HB2 LYS 7 HB2 LYS 7 17.124 32.145 3.399 48 HB3 LYS 7 HB3 LYS 7 18.803 31.715 3.128 49 HG2 LYS 7 HG2 LYS 7 18.347 33.570 1.739 50 HG3 LYS 7 HG3 LYS 7 18.411 32.169 0.677 51 HD2 LYS 7 HD2 LYS 7 15.963 32.074 0.667 52 HD3 LYS 7 HD3 LYS 7 15.912 33.478 1.735 53 HE2 LYS 7 HE2 LYS 7 17.195 33.475 -0.990 54 HE3 LYS 7 HE3 LYS 7 15.534 33.984 -0.686 55 HZ1 LYS 7 HZ1 LYS 7 17.149 35.830 -0.769 56 HZ2 LYS 7 HZ2 LYS 7 17.910 35.218 0.607 57 HZ3 LYS 7 HZ3 LYS 7 16.306 35.748 0.687 58 H GLU 8 H GLU 8 16.272 29.677 0.227 59 HA GLU 8 HA GLU 8 13.560 30.080 1.259 60 HB2 GLU 8 HB2 GLU 8 12.914 30.402 -1.118 61 HB3 GLU 8 HB3 GLU 8 14.072 31.594 -0.549 62 HG2 GLU 8 HG2 GLU 8 15.863 30.120 -1.579 63 HG3 GLU 8 HG3 GLU 8 14.542 29.273 -2.383 64 H GLY 9 H GLY 9 11.956 28.699 -0.225 65 HA2 GLY 9 HA2 GLY 9 11.415 26.573 -1.073 66 HA3 GLY 9 HA3 GLY 9 13.015 26.001 -0.603 67 H VAL 10 H VAL 10 11.195 27.880 1.605 68 HA VAL 10 HA VAL 10 10.967 25.562 3.363 69 HB VAL 10 HB VAL 10 12.180 27.499 4.253 70 HG11 VAL 10 HG11 VAL 10 9.604 29.019 3.907 71 HG12 VAL 10 HG12 VAL 10 11.103 29.275 3.015 72 HG13 VAL 10 HG13 VAL 10 11.039 29.608 4.746 73 HG21 VAL 10 HG21 VAL 10 10.964 27.775 6.368 74 HG22 VAL 10 HG22 VAL 10 10.987 26.094 5.830 75 HG23 VAL 10 HG23 VAL 10 9.530 27.068 5.621 76 H LYS 11 H LYS 11 9.068 24.798 4.056 77 HA LYS 11 HA LYS 11 6.866 24.258 4.008 78 HB2 LYS 11 HB2 LYS 11 6.858 27.184 4.425 79 HB3 LYS 11 HB3 LYS 11 5.316 26.420 4.051 80 HG2 LYS 11 HG2 LYS 11 5.478 26.526 6.402 81 HG3 LYS 11 HG3 LYS 11 5.777 24.845 5.960 82 HD2 LYS 11 HD2 LYS 11 8.236 25.393 6.039 83 HD3 LYS 11 HD3 LYS 11 7.779 26.934 6.769 84 HE2 LYS 11 HE2 LYS 11 6.494 25.556 8.467 85 HE3 LYS 11 HE3 LYS 11 7.366 24.167 7.815 86 HZ1 LYS 11 HZ1 LYS 11 9.454 25.269 8.384 87 HZ2 LYS 11 HZ2 LYS 11 8.490 25.053 9.750 88 HZ3 LYS 11 HZ3 LYS 11 8.601 26.578 9.036 89 H THR 12 H THR 12 7.469 23.567 1.833 90 HA THR 12 HA THR 12 6.348 25.086 -0.360 91 HB THR 12 HB THR 12 8.416 23.861 -0.763 92 HG1 THR 12 HG1 THR 12 7.819 23.004 -2.704 93 HG21 THR 12 HG21 THR 12 8.437 21.384 -0.802 94 HG22 THR 12 HG22 THR 12 6.804 21.382 -0.137 95 HG23 THR 12 HG23 THR 12 8.140 22.030 0.811 96 H GLU 13 H GLU 13 4.896 23.934 -1.944 97 HA GLU 13 HA GLU 13 2.539 23.028 -0.530 98 HB2 GLU 13 HB2 GLU 13 3.101 23.707 -3.401 99 HB3 GLU 13 HB3 GLU 13 1.565 23.022 -2.891 100 HG2 GLU 13 HG2 GLU 13 2.755 25.592 -1.875 101 HG3 GLU 13 HG3 GLU 13 1.480 25.457 -3.085 102 H ASN 14 H ASN 14 4.879 21.298 -0.672 103 HA ASN 14 HA ASN 14 3.756 19.001 -2.118 104 HB2 ASN 14 HB2 ASN 14 6.562 19.628 -1.218 105 HB3 ASN 14 HB3 ASN 14 6.078 17.974 -1.562 106 HD21 ASN 14 HD21 ASN 14 4.801 20.712 -3.306 107 HD22 ASN 14 HD22 ASN 14 5.592 20.377 -4.800 108 H ASN 15 H ASN 15 3.383 20.333 0.711 109 HA ASN 15 HA ASN 15 3.860 18.061 2.450 110 HB2 ASN 15 HB2 ASN 15 2.998 19.454 4.235 111 HB3 ASN 15 HB3 ASN 15 4.112 20.412 3.270 112 HD21 ASN 15 HD21 ASN 15 3.326 22.140 2.064 113 HD22 ASN 15 HD22 ASN 15 1.720 22.743 2.262 114 H ASP 16 H ASP 16 1.672 18.790 0.207 115 HA ASP 16 HA ASP 16 -0.768 18.021 1.508 116 HB2 ASP 16 HB2 ASP 16 -0.038 18.464 -1.372 117 HB3 ASP 16 HB3 ASP 16 -1.612 17.830 -0.904 118 H HIS 17 H HIS 17 -0.870 16.093 2.299 119 HA HIS 17 HA HIS 17 -0.081 13.838 0.603 120 HB2 HIS 17 HB2 HIS 17 0.622 12.637 2.630 121 HB3 HIS 17 HB3 HIS 17 1.524 14.131 2.433 122 HD1 HIS 17 HD1 HIS 17 0.761 16.159 4.062 123 HD2 HIS 17 HD2 HIS 17 -0.682 12.382 5.001 124 HE1 HIS 17 HE1 HIS 17 -0.073 16.322 6.426 125 HE2 HIS 17 HE2 HIS 17 -1.154 14.093 6.870 126 H ILE 18 H ILE 18 -1.245 11.926 0.867 127 HA ILE 18 HA ILE 18 -3.851 12.208 2.186 128 HB ILE 18 HB ILE 18 -5.003 11.073 0.338 129 HG12 ILE 18 HG12 ILE 18 -2.547 11.552 -1.341 130 HG13 ILE 18 HG13 ILE 18 -2.898 10.003 -0.581 131 HG21 ILE 18 HG21 ILE 18 -5.201 13.428 0.416 132 HG22 ILE 18 HG22 ILE 18 -4.986 12.965 -1.275 133 HG23 ILE 18 HG23 ILE 18 -3.635 13.656 -0.374 134 HD11 ILE 18 HD11 ILE 18 -5.099 10.040 -1.782 135 HD12 ILE 18 HD12 ILE 18 -3.670 9.857 -2.802 136 HD13 ILE 18 HD13 ILE 18 -4.488 11.422 -2.697 137 H ASN 19 H ASN 19 -4.978 10.158 2.428 138 HA ASN 19 HA ASN 19 -3.100 8.053 3.220 139 HB2 ASN 19 HB2 ASN 19 -4.794 8.962 4.842 140 HB3 ASN 19 HB3 ASN 19 -6.058 8.316 3.804 141 HD21 ASN 19 HD21 ASN 19 -3.591 7.593 6.094 142 HD22 ASN 19 HD22 ASN 19 -4.008 5.935 6.340 143 H LEU 20 H LEU 20 -3.060 6.089 2.326 144 HA LEU 20 HA LEU 20 -5.184 5.401 0.422 145 HB2 LEU 20 HB2 LEU 20 -2.210 5.058 0.012 146 HB3 LEU 20 HB3 LEU 20 -3.402 4.192 -0.929 147 HG LEU 20 HG LEU 20 -2.733 5.965 -2.303 148 HD11 LEU 20 HD11 LEU 20 -4.661 7.388 -2.541 149 HD12 LEU 20 HD12 LEU 20 -5.228 6.927 -0.938 150 HD13 LEU 20 HD13 LEU 20 -5.143 5.723 -2.224 151 HD21 LEU 20 HD21 LEU 20 -2.524 8.264 -1.611 152 HD22 LEU 20 HD22 LEU 20 -1.529 7.226 -0.591 153 HD23 LEU 20 HD23 LEU 20 -3.059 7.850 0.019 154 H LYS 21 H LYS 21 -5.858 3.304 0.490 155 HA LYS 21 HA LYS 21 -4.490 1.603 2.450 156 HB2 LYS 21 HB2 LYS 21 -7.469 1.886 2.059 157 HB3 LYS 21 HB3 LYS 21 -6.688 0.745 3.145 158 HG2 LYS 21 HG2 LYS 21 -5.716 2.639 4.390 159 HG3 LYS 21 HG3 LYS 21 -6.585 3.745 3.329 160 HD2 LYS 21 HD2 LYS 21 -7.899 1.665 5.080 161 HD3 LYS 21 HD3 LYS 21 -7.753 3.377 5.481 162 HE2 LYS 21 HE2 LYS 21 -8.992 3.913 3.408 163 HE3 LYS 21 HE3 LYS 21 -9.246 2.194 3.136 164 HZ1 LYS 21 HZ1 LYS 21 -10.254 3.822 5.415 165 HZ2 LYS 21 HZ2 LYS 21 -10.391 2.136 5.329 166 HZ3 LYS 21 HZ3 LYS 21 -11.175 3.099 4.189 167 H VAL 22 H VAL 22 -4.447 -0.556 2.008 168 HA VAL 22 HA VAL 22 -5.308 -1.308 -0.699 169 HB VAL 22 HB VAL 22 -2.887 -1.047 -0.695 170 HG11 VAL 22 HG11 VAL 22 -2.690 -1.317 1.751 171 HG12 VAL 22 HG12 VAL 22 -1.428 -2.062 0.767 172 HG13 VAL 22 HG13 VAL 22 -2.703 -3.061 1.478 173 HG21 VAL 22 HG21 VAL 22 -2.188 -3.294 -1.330 174 HG22 VAL 22 HG22 VAL 22 -3.758 -2.881 -2.014 175 HG23 VAL 22 HG23 VAL 22 -3.661 -3.948 -0.614 176 H ALA 23 H ALA 23 -6.424 -3.159 -0.876 177 HA ALA 23 HA ALA 23 -6.701 -4.807 1.549 178 HB1 ALA 23 HB1 ALA 23 -9.002 -5.259 0.874 179 HB2 ALA 23 HB2 ALA 23 -8.806 -4.210 -0.530 180 HB3 ALA 23 HB3 ALA 23 -8.734 -3.529 1.096 181 H GLY 24 H GLY 24 -5.927 -6.746 1.269 182 HA2 GLY 24 HA2 GLY 24 -5.536 -7.776 -1.440 183 HA3 GLY 24 HA3 GLY 24 -4.754 -8.387 0.014 184 H GLN 25 H GLN 25 -6.332 -9.709 -2.133 185 HA GLN 25 HA GLN 25 -8.822 -10.544 -1.312 186 HB2 GLN 25 HB2 GLN 25 -8.072 -12.773 -2.539 187 HB3 GLN 25 HB3 GLN 25 -8.407 -11.291 -3.413 188 HG2 GLN 25 HG2 GLN 25 -6.389 -12.393 -4.234 189 HG3 GLN 25 HG3 GLN 25 -6.040 -10.804 -3.563 190 HE21 GLN 25 HE21 GLN 25 -4.721 -10.629 -1.816 191 HE22 GLN 25 HE22 GLN 25 -3.887 -11.959 -1.087 192 H ASP 26 H ASP 26 -5.872 -11.292 0.269 193 HA ASP 26 HA ASP 26 -6.652 -13.765 1.469 194 HB2 ASP 26 HB2 ASP 26 -4.611 -11.705 2.346 195 HB3 ASP 26 HB3 ASP 26 -4.814 -13.283 3.094 196 H GLY 27 H GLY 27 -7.400 -10.471 2.044 197 HA2 GLY 27 HA2 GLY 27 -9.280 -9.887 3.416 198 HA3 GLY 27 HA3 GLY 27 -8.883 -11.243 4.467 199 H SER 28 H SER 28 -6.438 -9.172 3.208 200 HA SER 28 HA SER 28 -6.070 -8.003 5.873 201 HB2 SER 28 HB2 SER 28 -3.596 -8.028 5.194 202 HB3 SER 28 HB3 SER 28 -4.329 -9.564 5.652 203 HG SER 28 HG SER 28 -3.009 -9.217 3.541 204 H VAL 29 H VAL 29 -5.914 -5.849 5.972 205 HA VAL 29 HA VAL 29 -5.386 -4.382 3.476 206 HB VAL 29 HB VAL 29 -7.695 -4.048 3.912 207 HG11 VAL 29 HG11 VAL 29 -7.773 -4.840 6.182 208 HG12 VAL 29 HG12 VAL 29 -8.583 -3.278 6.051 209 HG13 VAL 29 HG13 VAL 29 -6.965 -3.381 6.752 210 HG21 VAL 29 HG21 VAL 29 -7.875 -1.642 4.391 211 HG22 VAL 29 HG22 VAL 29 -6.545 -1.994 3.290 212 HG23 VAL 29 HG23 VAL 29 -6.216 -1.646 4.987 213 H VAL 30 H VAL 30 -3.957 -2.715 3.525 214 HA VAL 30 HA VAL 30 -2.765 -2.071 6.134 215 HB VAL 30 HB VAL 30 -1.213 -1.919 3.560 216 HG11 VAL 30 HG11 VAL 30 0.718 -1.968 5.039 217 HG12 VAL 30 HG12 VAL 30 -0.341 -2.145 6.437 218 HG13 VAL 30 HG13 VAL 30 -0.378 -0.663 5.486 219 HG21 VAL 30 HG21 VAL 30 -1.377 -4.283 5.432 220 HG22 VAL 30 HG22 VAL 30 -0.188 -4.090 4.139 221 HG23 VAL 30 HG23 VAL 30 -1.902 -4.223 3.746 222 H GLN 31 H GLN 31 -2.525 0.107 6.597 223 HA GLN 31 HA GLN 31 -3.538 1.936 4.535 224 HB2 GLN 31 HB2 GLN 31 -3.382 2.399 7.518 225 HB3 GLN 31 HB3 GLN 31 -4.134 3.459 6.341 226 HG2 GLN 31 HG2 GLN 31 -5.996 2.411 7.154 227 HG3 GLN 31 HG3 GLN 31 -5.579 1.310 5.846 228 HE21 GLN 31 HE21 GLN 31 -4.939 -0.737 6.295 229 HE22 GLN 31 HE22 GLN 31 -4.944 -1.420 7.879 230 H PHE 32 H PHE 32 -2.474 3.843 4.034 231 HA PHE 32 HA PHE 32 0.183 4.299 5.228 232 HB2 PHE 32 HB2 PHE 32 -0.210 4.377 2.247 233 HB3 PHE 32 HB3 PHE 32 1.300 4.421 3.139 234 HD1 PHE 32 HD1 PHE 32 -1.477 2.288 2.048 235 HD2 PHE 32 HD2 PHE 32 2.404 2.414 3.788 236 HE1 PHE 32 HE1 PHE 32 -1.262 -0.115 1.730 237 HE2 PHE 32 HE2 PHE 32 2.621 -0.018 3.473 238 HZ PHE 32 HZ PHE 32 0.773 -1.289 2.440 239 HH31 ALY 33 HH31 ALY 33 -5.653 14.402 6.173 240 HH32 ALY 33 HH32 ALY 33 -6.302 12.746 6.195 241 HH33 ALY 33 HH33 ALY 33 -5.758 13.485 4.676 242 HZ ALY 33 HZ ALY 33 -4.515 11.373 4.706 243 HE3 ALY 33 HE3 ALY 33 -2.838 11.068 7.115 244 HE2 ALY 33 HE2 ALY 33 -3.958 9.849 6.509 245 HD3 ALY 33 HD3 ALY 33 -2.596 9.452 4.595 246 HD2 ALY 33 HD2 ALY 33 -1.556 10.810 4.986 247 HG3 ALY 33 HG3 ALY 33 -1.153 9.514 7.215 248 HG2 ALY 33 HG2 ALY 33 -1.748 8.127 6.292 249 HB3 ALY 33 HB3 ALY 33 0.508 9.913 5.421 250 HB2 ALY 33 HB2 ALY 33 0.720 8.392 6.272 251 HCA ALY 33 HCA ALY 33 -0.869 8.373 3.746 252 H ALY 33 H ALY 33 1.033 6.402 4.814 253 H ILE 34 H ILE 34 -0.053 9.178 1.913 254 HA ILE 34 HA ILE 34 2.835 9.716 1.778 255 HB ILE 34 HB ILE 34 3.057 8.784 -0.452 256 HG12 ILE 34 HG12 ILE 34 0.186 7.882 -0.199 257 HG13 ILE 34 HG13 ILE 34 0.723 9.239 -1.181 258 HG21 ILE 34 HG21 ILE 34 3.468 7.258 1.396 259 HG22 ILE 34 HG22 ILE 34 2.775 6.389 0.023 260 HG23 ILE 34 HG23 ILE 34 1.764 6.800 1.412 261 HD11 ILE 34 HD11 ILE 34 1.526 6.361 -1.566 262 HD12 ILE 34 HD12 ILE 34 2.046 7.722 -2.558 263 HD13 ILE 34 HD13 ILE 34 0.348 7.248 -2.533 264 H LYS 35 H LYS 35 3.341 11.082 -0.205 265 HA LYS 35 HA LYS 35 1.482 13.262 -0.237 266 HB2 LYS 35 HB2 LYS 35 4.187 12.848 -1.487 267 HB3 LYS 35 HB3 LYS 35 3.203 14.247 -1.873 268 HG2 LYS 35 HG2 LYS 35 4.770 14.868 -0.190 269 HG3 LYS 35 HG3 LYS 35 3.165 14.822 0.539 270 HD2 LYS 35 HD2 LYS 35 4.630 13.800 2.090 271 HD3 LYS 35 HD3 LYS 35 3.712 12.507 1.312 272 HE2 LYS 35 HE2 LYS 35 6.080 11.911 1.537 273 HE3 LYS 35 HE3 LYS 35 5.593 12.017 -0.152 274 HZ1 LYS 35 HZ1 LYS 35 7.032 14.143 1.347 275 HZ2 LYS 35 HZ2 LYS 35 6.615 14.186 -0.289 276 HZ3 LYS 35 HZ3 LYS 35 7.743 13.057 0.266 277 H ARG 36 H ARG 36 0.526 14.158 -2.065 278 HA ARG 36 HA ARG 36 -0.657 12.314 -3.856 279 HB2 ARG 36 HB2 ARG 36 -1.573 14.341 -4.934 280 HB3 ARG 36 HB3 ARG 36 -1.816 14.311 -3.203 281 HG2 ARG 36 HG2 ARG 36 -0.241 15.965 -2.807 282 HG3 ARG 36 HG3 ARG 36 0.547 15.717 -4.367 283 HD2 ARG 36 HD2 ARG 36 -1.410 16.552 -5.473 284 HD3 ARG 36 HD3 ARG 36 -2.190 16.885 -3.923 285 HE ARG 36 HE ARG 36 0.325 18.174 -4.787 286 HH11 ARG 36 HH11 ARG 36 -2.893 18.404 -3.383 287 HH12 ARG 36 HH12 ARG 36 -2.735 20.077 -2.978 288 HH21 ARG 36 HH21 ARG 36 0.526 20.408 -4.235 289 HH22 ARG 36 HH22 ARG 36 -0.785 21.221 -3.462 290 H HIS 37 H HIS 37 2.321 13.958 -3.892 291 HA HIS 37 HA HIS 37 2.569 13.778 -6.822 292 HB2 HIS 37 HB2 HIS 37 3.002 15.970 -5.711 293 HB3 HIS 37 HB3 HIS 37 4.291 15.221 -4.791 294 HD1 HIS 37 HD1 HIS 37 3.419 16.369 -8.263 295 HD2 HIS 37 HD2 HIS 37 6.718 14.944 -6.175 296 HE1 HIS 37 HE1 HIS 37 5.392 16.747 -9.776 297 HE2 HIS 37 HE2 HIS 37 7.309 15.624 -8.595 298 H THR 38 H THR 38 3.091 12.095 -4.124 299 HA THR 38 HA THR 38 5.706 11.016 -4.705 300 HB THR 38 HB THR 38 3.722 10.867 -2.485 301 HG1 THR 38 HG1 THR 38 6.236 11.882 -2.927 302 HG21 THR 38 HG21 THR 38 5.054 9.162 -1.332 303 HG22 THR 38 HG22 THR 38 6.075 8.986 -2.762 304 HG23 THR 38 HG23 THR 38 4.366 8.534 -2.832 305 HA PRO 39 HA PRO 39 4.018 7.675 -7.112 306 HB2 PRO 39 HB2 PRO 39 6.071 5.884 -6.767 307 HB3 PRO 39 HB3 PRO 39 6.120 7.227 -7.916 308 HG2 PRO 39 HG2 PRO 39 7.292 7.036 -5.170 309 HG3 PRO 39 HG3 PRO 39 7.996 7.732 -6.641 310 HD2 PRO 39 HD2 PRO 39 6.924 9.268 -4.717 311 HD3 PRO 39 HD3 PRO 39 6.792 9.699 -6.436 312 H LEU 40 H LEU 40 2.473 6.332 -6.485 313 HA LEU 40 HA LEU 40 2.137 5.430 -3.845 314 HB2 LEU 40 HB2 LEU 40 0.375 3.888 -4.919 315 HB3 LEU 40 HB3 LEU 40 0.138 5.618 -5.005 316 HG LEU 40 HG LEU 40 1.038 5.549 -7.352 317 HD11 LEU 40 HD11 LEU 40 2.271 3.456 -7.224 318 HD12 LEU 40 HD12 LEU 40 1.071 3.413 -8.516 319 HD13 LEU 40 HD13 LEU 40 0.762 2.573 -6.996 320 HD21 LEU 40 HD21 LEU 40 -1.340 5.664 -6.903 321 HD22 LEU 40 HD22 LEU 40 -1.411 3.907 -6.760 322 HD23 LEU 40 HD23 LEU 40 -1.022 4.649 -8.312 323 H SER 41 H SER 41 4.027 4.245 -6.364 324 HA SER 41 HA SER 41 4.157 1.532 -6.096 325 HB2 SER 41 HB2 SER 41 6.689 3.062 -6.359 326 HB3 SER 41 HB3 SER 41 6.059 1.738 -7.349 327 HG SER 41 HG SER 41 5.964 3.758 -8.459 328 H LYS 42 H LYS 42 5.383 3.997 -3.954 329 HA LYS 42 HA LYS 42 7.225 2.443 -2.505 330 HB2 LYS 42 HB2 LYS 42 5.617 4.820 -1.556 331 HB3 LYS 42 HB3 LYS 42 7.055 4.176 -0.781 332 HG2 LYS 42 HG2 LYS 42 8.352 4.709 -2.815 333 HG3 LYS 42 HG3 LYS 42 6.905 5.420 -3.521 334 HD2 LYS 42 HD2 LYS 42 8.257 7.183 -2.619 335 HD3 LYS 42 HD3 LYS 42 6.828 7.007 -1.603 336 HE2 LYS 42 HE2 LYS 42 8.832 7.317 -0.254 337 HE3 LYS 42 HE3 LYS 42 8.136 5.723 0.019 338 HZ1 LYS 42 HZ1 LYS 42 10.455 6.300 -1.755 339 HZ2 LYS 42 HZ2 LYS 42 9.817 4.769 -1.426 340 HZ3 LYS 42 HZ3 LYS 42 10.555 5.655 -0.199 341 H LEU 43 H LEU 43 3.798 3.197 -1.862 342 HA LEU 43 HA LEU 43 3.680 1.562 0.458 343 HB2 LEU 43 HB2 LEU 43 1.392 2.025 0.581 344 HB3 LEU 43 HB3 LEU 43 2.068 3.455 -0.159 345 HG LEU 43 HG LEU 43 1.341 2.298 -2.400 346 HD11 LEU 43 HD11 LEU 43 0.680 0.159 -1.411 347 HD12 LEU 43 HD12 LEU 43 -0.694 0.955 -2.180 348 HD13 LEU 43 HD13 LEU 43 -0.527 0.982 -0.424 349 HD21 LEU 43 HD21 LEU 43 -0.654 3.494 -0.493 350 HD22 LEU 43 HD22 LEU 43 -0.827 3.401 -2.244 351 HD23 LEU 43 HD23 LEU 43 0.444 4.403 -1.536 352 H MET 44 H MET 44 3.118 0.998 -2.953 353 HA MET 44 HA MET 44 1.857 -1.492 -2.716 354 HB2 MET 44 HB2 MET 44 3.615 -0.470 -4.952 355 HB3 MET 44 HB3 MET 44 2.626 -1.918 -5.041 356 HG2 MET 44 HG2 MET 44 0.668 -0.339 -4.465 357 HG3 MET 44 HG3 MET 44 1.773 0.941 -4.960 358 HE1 MET 44 HE1 MET 44 2.872 1.028 -7.489 359 HE2 MET 44 HE2 MET 44 2.561 -0.234 -8.682 360 HE3 MET 44 HE3 MET 44 3.446 -0.616 -7.205 361 H LYS 45 H LYS 45 5.304 -0.665 -3.037 362 HA LYS 45 HA LYS 45 6.124 -3.370 -2.860 363 HB2 LYS 45 HB2 LYS 45 7.648 -0.816 -2.392 364 HB3 LYS 45 HB3 LYS 45 8.384 -2.409 -2.308 365 HG2 LYS 45 HG2 LYS 45 7.415 -2.711 -4.685 366 HG3 LYS 45 HG3 LYS 45 7.291 -0.954 -4.673 367 HD2 LYS 45 HD2 LYS 45 9.374 -1.335 -5.638 368 HD3 LYS 45 HD3 LYS 45 9.769 -1.000 -3.954 369 HE2 LYS 45 HE2 LYS 45 9.420 -3.805 -5.025 370 HE3 LYS 45 HE3 LYS 45 10.968 -2.975 -5.050 371 HZ1 LYS 45 HZ1 LYS 45 9.389 -3.708 -2.634 372 HZ2 LYS 45 HZ2 LYS 45 10.794 -2.768 -2.604 373 HZ3 LYS 45 HZ3 LYS 45 10.859 -4.365 -3.136 374 H ALA 46 H ALA 46 5.630 -0.815 -0.491 375 HA ALA 46 HA ALA 46 6.840 -2.093 1.713 376 HB1 ALA 46 HB1 ALA 46 6.178 0.275 1.729 377 HB2 ALA 46 HB2 ALA 46 5.495 -0.599 3.101 378 HB3 ALA 46 HB3 ALA 46 4.481 -0.206 1.716 379 H TYR 47 H TYR 47 3.602 -2.202 0.406 380 HA TYR 47 HA TYR 47 2.362 -3.859 2.254 381 HB2 TYR 47 HB2 TYR 47 1.109 -2.781 0.482 382 HB3 TYR 47 HB3 TYR 47 1.976 -3.700 -0.738 383 HD1 TYR 47 HD1 TYR 47 1.465 -6.047 -1.117 384 HD2 TYR 47 HD2 TYR 47 -0.671 -3.789 1.770 385 HE1 TYR 47 HE1 TYR 47 -0.270 -7.782 -1.071 386 HE2 TYR 47 HE2 TYR 47 -2.413 -5.501 1.849 387 HH TYR 47 HH TYR 47 -2.022 -8.585 0.598 388 H CYS 48 H CYS 48 3.992 -4.823 -0.763 389 HA CYS 48 HA CYS 48 3.785 -7.588 -0.343 390 HB2 CYS 48 HB2 CYS 48 5.974 -6.214 -1.942 391 HB3 CYS 48 HB3 CYS 48 5.337 -7.837 -2.160 392 HG CYS 48 HG CYS 48 3.641 -4.934 -2.784 393 H GLU 49 H GLU 49 6.308 -5.269 0.551 394 HA GLU 49 HA GLU 49 8.261 -7.021 1.488 395 HB2 GLU 49 HB2 GLU 49 7.530 -4.276 2.508 396 HB3 GLU 49 HB3 GLU 49 9.015 -5.128 2.891 397 HG2 GLU 49 HG2 GLU 49 8.168 -4.281 0.133 398 HG3 GLU 49 HG3 GLU 49 9.273 -3.399 1.172 399 H ARG 50 H ARG 50 5.571 -5.465 3.256 400 HA ARG 50 HA ARG 50 6.300 -6.752 5.721 401 HB2 ARG 50 HB2 ARG 50 4.400 -5.621 6.694 402 HB3 ARG 50 HB3 ARG 50 5.266 -4.501 5.657 403 HG2 ARG 50 HG2 ARG 50 3.595 -4.846 3.897 404 HG3 ARG 50 HG3 ARG 50 2.724 -5.953 4.956 405 HD2 ARG 50 HD2 ARG 50 3.225 -3.021 5.470 406 HD3 ARG 50 HD3 ARG 50 1.712 -3.749 4.960 407 HE ARG 50 HE ARG 50 1.877 -5.032 7.152 408 HH11 ARG 50 HH11 ARG 50 3.200 -1.806 6.729 409 HH12 ARG 50 HH12 ARG 50 2.933 -1.343 8.372 410 HH21 ARG 50 HH21 ARG 50 1.521 -4.413 9.340 411 HH22 ARG 50 HH22 ARG 50 1.978 -2.830 9.863 412 H GLN 51 H GLN 51 3.869 -7.298 3.227 413 HA GLN 51 HA GLN 51 2.446 -9.249 4.745 414 HB2 GLN 51 HB2 GLN 51 2.363 -8.573 1.821 415 HB3 GLN 51 HB3 GLN 51 1.276 -9.717 2.614 416 HG2 GLN 51 HG2 GLN 51 1.582 -6.832 3.320 417 HG3 GLN 51 HG3 GLN 51 0.312 -7.499 2.295 418 HE21 GLN 51 HE21 GLN 51 1.609 -7.417 5.543 419 HE22 GLN 51 HE22 GLN 51 0.184 -7.972 6.342 420 H GLY 52 H GLY 52 5.262 -9.408 2.769 421 HA2 GLY 52 HA2 GLY 52 6.600 -11.267 2.491 422 HA3 GLY 52 HA3 GLY 52 5.316 -12.262 3.180 423 H LEU 53 H LEU 53 5.253 -9.998 0.481 424 HA LEU 53 HA LEU 53 4.519 -12.217 -1.284 425 HB2 LEU 53 HB2 LEU 53 3.122 -9.595 -0.930 426 HB3 LEU 53 HB3 LEU 53 3.103 -10.393 -2.486 427 HG LEU 53 HG LEU 53 1.095 -10.881 -1.361 428 HD11 LEU 53 HD11 LEU 53 2.089 -12.713 -2.646 429 HD12 LEU 53 HD12 LEU 53 1.098 -13.302 -1.314 430 HD13 LEU 53 HD13 LEU 53 2.856 -13.315 -1.173 431 HD21 LEU 53 HD21 LEU 53 2.710 -11.937 0.936 432 HD22 LEU 53 HD22 LEU 53 0.950 -11.966 0.796 433 HD23 LEU 53 HD23 LEU 53 1.806 -10.424 0.907 434 H SER 54 H SER 54 4.831 -11.645 -3.583 435 HA SER 54 HA SER 54 7.095 -9.797 -3.906 436 HB2 SER 54 HB2 SER 54 6.448 -12.249 -5.547 437 HB3 SER 54 HB3 SER 54 7.895 -11.266 -5.659 438 HG SER 54 HG SER 54 8.654 -12.133 -3.848 439 H MET 55 H MET 55 7.150 -8.593 -5.916 440 HA MET 55 HA MET 55 4.656 -7.633 -6.724 441 HB2 MET 55 HB2 MET 55 7.434 -7.296 -7.767 442 HB3 MET 55 HB3 MET 55 6.081 -6.680 -8.709 443 HG2 MET 55 HG2 MET 55 6.665 -5.983 -5.849 444 HG3 MET 55 HG3 MET 55 7.065 -4.983 -7.250 445 HE1 MET 55 HE1 MET 55 5.226 -4.434 -4.570 446 HE2 MET 55 HE2 MET 55 3.964 -3.398 -5.231 447 HE3 MET 55 HE3 MET 55 5.653 -3.127 -5.675 448 H ARG 56 H ARG 56 6.605 -10.237 -7.871 449 HA ARG 56 HA ARG 56 5.145 -10.584 -10.349 450 HB2 ARG 56 HB2 ARG 56 6.496 -12.720 -10.497 451 HB3 ARG 56 HB3 ARG 56 7.428 -11.230 -10.471 452 HG2 ARG 56 HG2 ARG 56 6.994 -12.368 -7.830 453 HG3 ARG 56 HG3 ARG 56 7.872 -13.436 -8.927 454 HD2 ARG 56 HD2 ARG 56 8.589 -10.550 -8.496 455 HD3 ARG 56 HD3 ARG 56 9.297 -11.863 -7.558 456 HE ARG 56 HE ARG 56 9.550 -12.398 -10.311 457 HH11 ARG 56 HH11 ARG 56 10.853 -10.241 -7.868 458 HH12 ARG 56 HH12 ARG 56 12.409 -10.148 -8.612 459 HH21 ARG 56 HH21 ARG 56 11.591 -12.275 -11.281 460 HH22 ARG 56 HH22 ARG 56 12.834 -11.308 -10.569 461 H GLN 57 H GLN 57 4.810 -11.477 -7.116 462 HA GLN 57 HA GLN 57 3.283 -13.900 -7.617 463 HB2 GLN 57 HB2 GLN 57 4.570 -12.628 -5.321 464 HB3 GLN 57 HB3 GLN 57 3.009 -13.347 -4.941 465 HG2 GLN 57 HG2 GLN 57 5.080 -14.779 -4.628 466 HG3 GLN 57 HG3 GLN 57 3.733 -15.488 -5.516 467 HE21 GLN 57 HE21 GLN 57 6.858 -13.996 -5.831 468 HE22 GLN 57 HE22 GLN 57 7.255 -14.710 -7.351 469 H ILE 58 H ILE 58 2.773 -10.569 -6.969 470 HA ILE 58 HA ILE 58 -0.135 -11.053 -7.041 471 HB ILE 58 HB ILE 58 -0.606 -9.467 -5.305 472 HG12 ILE 58 HG12 ILE 58 2.386 -8.993 -5.184 473 HG13 ILE 58 HG13 ILE 58 1.154 -7.855 -5.727 474 HG21 ILE 58 HG21 ILE 58 -0.092 -11.760 -4.601 475 HG22 ILE 58 HG22 ILE 58 0.328 -10.571 -3.364 476 HG23 ILE 58 HG23 ILE 58 1.595 -11.289 -4.364 477 HD11 ILE 58 HD11 ILE 58 1.967 -7.348 -3.482 478 HD12 ILE 58 HD12 ILE 58 1.407 -8.929 -2.929 479 HD13 ILE 58 HD13 ILE 58 0.246 -7.729 -3.495 480 H ARG 59 H ARG 59 -1.193 -8.726 -7.062 481 HA ARG 59 HA ARG 59 0.235 -6.735 -8.532 482 HB2 ARG 59 HB2 ARG 59 -1.660 -8.514 -9.985 483 HB3 ARG 59 HB3 ARG 59 -1.705 -6.801 -10.364 484 HG2 ARG 59 HG2 ARG 59 0.687 -8.624 -10.595 485 HG3 ARG 59 HG3 ARG 59 -0.268 -7.961 -11.923 486 HD2 ARG 59 HD2 ARG 59 0.385 -5.675 -11.153 487 HD3 ARG 59 HD3 ARG 59 1.453 -6.428 -9.972 488 HE ARG 59 HE ARG 59 1.985 -7.391 -12.588 489 HH11 ARG 59 HH11 ARG 59 2.531 -4.625 -10.494 490 HH12 ARG 59 HH12 ARG 59 3.970 -4.123 -11.305 491 HH21 ARG 59 HH21 ARG 59 3.899 -6.734 -13.665 492 HH22 ARG 59 HH22 ARG 59 4.759 -5.338 -13.117 493 H PHE 60 H PHE 60 -0.793 -4.780 -8.624 494 HA PHE 60 HA PHE 60 -3.023 -4.540 -6.751 495 HB2 PHE 60 HB2 PHE 60 -0.973 -2.511 -7.686 496 HB3 PHE 60 HB3 PHE 60 -2.280 -2.172 -6.557 497 HD1 PHE 60 HD1 PHE 60 0.626 -4.473 -7.000 498 HD2 PHE 60 HD2 PHE 60 -1.867 -2.342 -4.300 499 HE1 PHE 60 HE1 PHE 60 2.057 -5.174 -5.132 500 HE2 PHE 60 HE2 PHE 60 -0.445 -3.032 -2.426 501 HZ PHE 60 HZ PHE 60 1.519 -4.458 -2.835 502 H ARG 61 H ARG 61 -4.805 -3.292 -7.277 503 HA ARG 61 HA ARG 61 -5.008 -2.217 -9.971 504 HB2 ARG 61 HB2 ARG 61 -5.793 -4.434 -10.341 505 HB3 ARG 61 HB3 ARG 61 -6.812 -4.386 -8.907 506 HG2 ARG 61 HG2 ARG 61 -7.405 -2.300 -10.871 507 HG3 ARG 61 HG3 ARG 61 -7.650 -3.945 -11.463 508 HD2 ARG 61 HD2 ARG 61 -8.723 -3.055 -8.810 509 HD3 ARG 61 HD3 ARG 61 -9.612 -2.760 -10.301 510 HE ARG 61 HE ARG 61 -9.037 -5.387 -10.445 511 HH11 ARG 61 HH11 ARG 61 -10.579 -3.433 -7.966 512 HH12 ARG 61 HH12 ARG 61 -11.511 -4.750 -7.348 513 HH21 ARG 61 HH21 ARG 61 -10.289 -7.110 -9.625 514 HH22 ARG 61 HH22 ARG 61 -11.348 -6.835 -8.285 515 H PHE 62 H PHE 62 -6.396 -0.581 -10.215 516 HA PHE 62 HA PHE 62 -8.245 0.140 -8.106 517 HB2 PHE 62 HB2 PHE 62 -6.101 1.198 -7.463 518 HB3 PHE 62 HB3 PHE 62 -6.038 2.006 -9.024 519 HD1 PHE 62 HD1 PHE 62 -7.669 1.863 -5.757 520 HD2 PHE 62 HD2 PHE 62 -7.430 3.927 -9.466 521 HE1 PHE 62 HE1 PHE 62 -8.909 3.750 -4.785 522 HE2 PHE 62 HE2 PHE 62 -8.666 5.818 -8.502 523 HZ PHE 62 HZ PHE 62 -9.405 5.735 -6.158 524 H ASP 63 H ASP 63 -9.798 1.619 -8.855 525 HA ASP 63 HA ASP 63 -11.363 2.329 -10.431 526 HB2 ASP 63 HB2 ASP 63 -9.309 3.790 -10.842 527 HB3 ASP 63 HB3 ASP 63 -9.000 2.793 -12.229 528 H GLY 64 H GLY 64 -10.253 -0.476 -10.571 529 HA2 GLY 64 HA2 GLY 64 -10.848 -2.295 -11.773 530 HA3 GLY 64 HA3 GLY 64 -11.681 -1.270 -12.923 531 H GLN 65 H GLN 65 -8.442 -0.309 -12.346 532 HA GLN 65 HA GLN 65 -7.497 -1.840 -14.669 533 HB2 GLN 65 HB2 GLN 65 -6.179 0.166 -15.328 534 HB3 GLN 65 HB3 GLN 65 -7.913 0.414 -15.453 535 HG2 GLN 65 HG2 GLN 65 -7.908 1.650 -13.381 536 HG3 GLN 65 HG3 GLN 65 -6.192 1.340 -13.166 537 HE21 GLN 65 HE21 GLN 65 -5.725 3.501 -13.087 538 HE22 GLN 65 HE22 GLN 65 -5.764 4.533 -14.469 539 HA PRO 66 HA PRO 66 -4.173 -2.988 -12.005 540 HB2 PRO 66 HB2 PRO 66 -2.161 -3.321 -13.849 541 HB3 PRO 66 HB3 PRO 66 -3.436 -4.506 -13.552 542 HG2 PRO 66 HG2 PRO 66 -3.182 -2.504 -15.745 543 HG3 PRO 66 HG3 PRO 66 -3.827 -4.152 -15.795 544 HD2 PRO 66 HD2 PRO 66 -5.395 -1.921 -15.750 545 HD3 PRO 66 HD3 PRO 66 -5.905 -3.488 -15.092 546 H ILE 67 H ILE 67 -2.495 -2.058 -10.898 547 HA ILE 67 HA ILE 67 -1.834 0.702 -11.661 548 HB ILE 67 HB ILE 67 -1.234 -0.675 -9.037 549 HG12 ILE 67 HG12 ILE 67 -3.628 1.038 -9.727 550 HG13 ILE 67 HG13 ILE 67 -3.662 -0.701 -9.452 551 HG21 ILE 67 HG21 ILE 67 -1.079 1.608 -8.172 552 HG22 ILE 67 HG22 ILE 67 -1.410 2.242 -9.784 553 HG23 ILE 67 HG23 ILE 67 0.071 1.332 -9.480 554 HD11 ILE 67 HD11 ILE 67 -3.031 1.453 -7.457 555 HD12 ILE 67 HD12 ILE 67 -2.804 -0.266 -7.154 556 HD13 ILE 67 HD13 ILE 67 -4.418 0.361 -7.475 557 H ASN 68 H ASN 68 0.317 1.430 -11.710 558 HA ASN 68 HA ASN 68 2.355 -0.685 -11.770 559 HB2 ASN 68 HB2 ASN 68 2.692 1.730 -13.484 560 HB3 ASN 68 HB3 ASN 68 3.298 0.099 -13.714 561 HD21 ASN 68 HD21 ASN 68 0.720 2.297 -14.209 562 HD22 ASN 68 HD22 ASN 68 -0.195 1.301 -15.263 563 H GLU 69 H GLU 69 4.558 0.308 -11.595 564 HA GLU 69 HA GLU 69 4.596 2.042 -9.323 565 HB2 GLU 69 HB2 GLU 69 7.071 1.810 -9.545 566 HB3 GLU 69 HB3 GLU 69 6.215 0.278 -9.435 567 HG2 GLU 69 HG2 GLU 69 6.332 0.168 -11.948 568 HG3 GLU 69 HG3 GLU 69 7.429 1.544 -11.870 569 H THR 70 H THR 70 4.409 2.531 -12.620 570 HA THR 70 HA THR 70 5.810 5.050 -12.651 571 HB THR 70 HB THR 70 5.042 5.123 -15.035 572 HG1 THR 70 HG1 THR 70 3.226 3.915 -15.143 573 HG21 THR 70 HG21 THR 70 6.418 2.580 -14.153 574 HG22 THR 70 HG22 THR 70 7.202 4.131 -14.447 575 HG23 THR 70 HG23 THR 70 6.458 3.252 -15.783 576 H ASP 71 H ASP 71 2.817 4.096 -11.567 577 HA ASP 71 HA ASP 71 1.510 6.525 -12.512 578 HB2 ASP 71 HB2 ASP 71 0.549 3.913 -11.482 579 HB3 ASP 71 HB3 ASP 71 -0.476 5.326 -11.296 580 H THR 72 H THR 72 0.561 7.986 -11.107 581 HA THR 72 HA THR 72 1.521 7.882 -8.331 582 HB THR 72 HB THR 72 0.845 10.443 -8.569 583 HG1 THR 72 HG1 THR 72 1.872 10.108 -11.153 584 HG21 THR 72 HG21 THR 72 3.196 10.934 -9.179 585 HG22 THR 72 HG22 THR 72 3.417 9.227 -9.581 586 HG23 THR 72 HG23 THR 72 3.035 9.707 -7.923 587 HA PRO 73 HA PRO 73 -2.601 7.784 -6.718 588 HB2 PRO 73 HB2 PRO 73 -2.456 9.758 -4.784 589 HB3 PRO 73 HB3 PRO 73 -1.867 8.107 -4.570 590 HG2 PRO 73 HG2 PRO 73 -0.337 10.580 -5.303 591 HG3 PRO 73 HG3 PRO 73 0.108 9.274 -4.186 592 HD2 PRO 73 HD2 PRO 73 1.125 9.443 -6.637 593 HD3 PRO 73 HD3 PRO 73 0.735 7.867 -5.914 594 H ALA 74 H ALA 74 -1.223 10.895 -7.563 595 HA ALA 74 HA ALA 74 -3.740 12.250 -7.658 596 HB1 ALA 74 HB1 ALA 74 -1.044 13.068 -8.715 597 HB2 ALA 74 HB2 ALA 74 -1.695 13.465 -7.119 598 HB3 ALA 74 HB3 ALA 74 -2.452 14.120 -8.578 599 H GLN 75 H GLN 75 -2.196 10.097 -9.741 600 HA GLN 75 HA GLN 75 -2.938 11.260 -12.232 601 HB2 GLN 75 HB2 GLN 75 -1.218 9.352 -11.718 602 HB3 GLN 75 HB3 GLN 75 -2.621 8.314 -11.821 603 HG2 GLN 75 HG2 GLN 75 -1.467 8.404 -13.939 604 HG3 GLN 75 HG3 GLN 75 -3.086 9.097 -14.064 605 HE21 GLN 75 HE21 GLN 75 -3.295 11.372 -14.171 606 HE22 GLN 75 HE22 GLN 75 -1.991 12.359 -14.718 607 H LEU 76 H LEU 76 -4.248 8.748 -10.218 608 HA LEU 76 HA LEU 76 -6.610 8.450 -11.869 609 HB2 LEU 76 HB2 LEU 76 -6.389 7.162 -9.197 610 HB3 LEU 76 HB3 LEU 76 -7.036 6.523 -10.695 611 HG LEU 76 HG LEU 76 -4.394 6.746 -11.339 612 HD11 LEU 76 HD11 LEU 76 -4.481 5.984 -8.430 613 HD12 LEU 76 HD12 LEU 76 -3.795 7.470 -9.091 614 HD13 LEU 76 HD13 LEU 76 -3.076 5.909 -9.495 615 HD21 LEU 76 HD21 LEU 76 -4.281 4.353 -11.074 616 HD22 LEU 76 HD22 LEU 76 -5.899 4.784 -11.636 617 HD23 LEU 76 HD23 LEU 76 -5.629 4.379 -9.940 618 H GLU 77 H GLU 77 -5.687 10.666 -9.698 619 HA GLU 77 HA GLU 77 -6.651 12.126 -8.260 620 HB2 GLU 77 HB2 GLU 77 -9.055 11.592 -10.011 621 HB3 GLU 77 HB3 GLU 77 -8.891 12.949 -8.906 622 HG2 GLU 77 HG2 GLU 77 -6.826 13.592 -10.212 623 HG3 GLU 77 HG3 GLU 77 -7.331 12.402 -11.409 624 H MET 78 H MET 78 -6.467 9.677 -7.197 625 HA MET 78 HA MET 78 -8.957 8.784 -6.109 626 HB2 MET 78 HB2 MET 78 -7.618 7.172 -4.896 627 HB3 MET 78 HB3 MET 78 -7.061 7.264 -6.561 628 HG2 MET 78 HG2 MET 78 -5.399 9.022 -5.502 629 HG3 MET 78 HG3 MET 78 -5.712 8.063 -4.059 630 HE1 MET 78 HE1 MET 78 -5.549 5.275 -4.216 631 HE2 MET 78 HE2 MET 78 -4.761 4.457 -5.567 632 HE3 MET 78 HE3 MET 78 -6.314 5.255 -5.806 633 H GLU 79 H GLU 79 -9.329 8.684 -3.760 634 HA GLU 79 HA GLU 79 -8.571 11.276 -2.571 635 HB2 GLU 79 HB2 GLU 79 -10.670 11.218 -1.397 636 HB3 GLU 79 HB3 GLU 79 -10.973 10.940 -3.107 637 HG2 GLU 79 HG2 GLU 79 -10.950 8.462 -2.549 638 HG3 GLU 79 HG3 GLU 79 -11.019 8.956 -0.862 639 H ASP 80 H ASP 80 -8.464 11.292 -0.130 640 HA ASP 80 HA ASP 80 -6.833 9.462 0.998 641 HB2 ASP 80 HB2 ASP 80 -8.912 11.282 2.128 642 HB3 ASP 80 HB3 ASP 80 -7.991 10.214 3.186 643 H GLU 81 H GLU 81 -6.998 7.586 1.952 644 HA GLU 81 HA GLU 81 -7.737 5.643 2.748 645 HB2 GLU 81 HB2 GLU 81 -10.257 7.210 3.171 646 HB3 GLU 81 HB3 GLU 81 -10.103 5.524 3.649 647 HG2 GLU 81 HG2 GLU 81 -7.973 6.354 4.889 648 HG3 GLU 81 HG3 GLU 81 -8.740 7.935 4.746 649 H ASP 82 H ASP 82 -8.051 6.448 -0.109 650 HA ASP 82 HA ASP 82 -10.212 4.891 -1.108 651 HB2 ASP 82 HB2 ASP 82 -8.163 6.482 -2.260 652 HB3 ASP 82 HB3 ASP 82 -8.048 4.883 -2.991 653 H THR 83 H THR 83 -10.097 2.783 -2.110 654 HA THR 83 HA THR 83 -8.182 1.131 -0.628 655 HB THR 83 HB THR 83 -10.868 0.298 -1.730 656 HG1 THR 83 HG1 THR 83 -10.647 1.899 0.133 657 HG21 THR 83 HG21 THR 83 -8.972 -1.062 0.199 658 HG22 THR 83 HG22 THR 83 -9.263 -1.551 -1.471 659 HG23 THR 83 HG23 THR 83 -10.560 -1.661 -0.279 660 H ILE 84 H ILE 84 -6.719 0.028 -1.656 661 HA ILE 84 HA ILE 84 -6.778 -0.271 -4.558 662 HB ILE 84 HB ILE 84 -4.661 -1.090 -2.551 663 HG12 ILE 84 HG12 ILE 84 -5.009 1.338 -2.471 664 HG13 ILE 84 HG13 ILE 84 -3.441 0.939 -3.163 665 HG21 ILE 84 HG21 ILE 84 -4.378 -2.313 -4.545 666 HG22 ILE 84 HG22 ILE 84 -3.166 -1.024 -4.539 667 HG23 ILE 84 HG23 ILE 84 -4.610 -0.871 -5.539 668 HD11 ILE 84 HD11 ILE 84 -4.340 1.333 -5.392 669 HD12 ILE 84 HD12 ILE 84 -4.483 2.754 -4.354 670 HD13 ILE 84 HD13 ILE 84 -5.899 1.753 -4.680 671 H ASP 85 H ASP 85 -6.946 -2.301 -5.538 672 HA ASP 85 HA ASP 85 -7.595 -4.509 -3.712 673 HB2 ASP 85 HB2 ASP 85 -8.444 -3.926 -6.537 674 HB3 ASP 85 HB3 ASP 85 -8.623 -5.529 -5.834 675 H VAL 86 H VAL 86 -6.211 -6.104 -3.516 676 HA VAL 86 HA VAL 86 -4.147 -6.489 -5.595 677 HB VAL 86 HB VAL 86 -4.050 -7.139 -2.642 678 HG11 VAL 86 HG11 VAL 86 -1.759 -7.862 -3.008 679 HG12 VAL 86 HG12 VAL 86 -1.925 -7.568 -4.740 680 HG13 VAL 86 HG13 VAL 86 -2.872 -8.841 -3.966 681 HG21 VAL 86 HG21 VAL 86 -2.514 -5.165 -4.307 682 HG22 VAL 86 HG22 VAL 86 -2.262 -5.488 -2.590 683 HG23 VAL 86 HG23 VAL 86 -3.784 -4.787 -3.142 684 H PHE 87 H PHE 87 -3.841 -8.431 -6.490 685 HA PHE 87 HA PHE 87 -5.351 -10.722 -5.484 686 HB2 PHE 87 HB2 PHE 87 -5.804 -11.292 -7.966 687 HB3 PHE 87 HB3 PHE 87 -6.815 -10.079 -7.194 688 HD1 PHE 87 HD1 PHE 87 -6.575 -7.729 -7.758 689 HD2 PHE 87 HD2 PHE 87 -4.280 -10.710 -9.739 690 HE1 PHE 87 HE1 PHE 87 -6.032 -6.128 -9.524 691 HE2 PHE 87 HE2 PHE 87 -3.728 -9.096 -11.519 692 HZ PHE 87 HZ PHE 87 -4.606 -6.805 -11.411 693 H GLN 88 H GLN 88 -4.458 -12.799 -6.121 694 HA GLN 88 HA GLN 88 -1.611 -12.687 -6.216 695 HB2 GLN 88 HB2 GLN 88 -2.992 -14.336 -4.889 696 HB3 GLN 88 HB3 GLN 88 -3.358 -15.138 -6.410 697 HG2 GLN 88 HG2 GLN 88 -1.569 -16.390 -5.844 698 HG3 GLN 88 HG3 GLN 88 -0.695 -15.056 -6.593 699 HE21 GLN 88 HE21 GLN 88 -1.384 -13.286 -4.294 700 HE22 GLN 88 HE22 GLN 88 -0.305 -13.759 -3.032 701 H GLN 89 H GLN 89 -0.475 -12.541 -7.975 702 HA GLN 89 HA GLN 89 -1.540 -13.527 -10.520 703 HB2 GLN 89 HB2 GLN 89 0.479 -11.443 -9.807 704 HB3 GLN 89 HB3 GLN 89 0.523 -12.191 -11.399 705 HG2 GLN 89 HG2 GLN 89 -1.939 -10.913 -10.249 706 HG3 GLN 89 HG3 GLN 89 -0.760 -10.046 -11.234 707 HE21 GLN 89 HE21 GLN 89 -3.610 -10.785 -11.678 708 HE22 GLN 89 HE22 GLN 89 -3.623 -11.575 -13.212 709 H GLN 90 H GLN 90 -0.219 -15.082 -8.318 710 HA GLN 90 HA GLN 90 2.173 -16.085 -9.629 711 HB2 GLN 90 HB2 GLN 90 2.148 -15.883 -7.158 712 HB3 GLN 90 HB3 GLN 90 0.811 -17.026 -7.090 713 HG2 GLN 90 HG2 GLN 90 2.332 -18.676 -8.252 714 HG3 GLN 90 HG3 GLN 90 3.645 -17.546 -7.944 715 HE21 GLN 90 HE21 GLN 90 2.444 -16.752 -5.358 716 HE22 GLN 90 HE22 GLN 90 2.800 -18.054 -4.280 717 H THR 91 H THR 91 1.788 -17.383 -11.315 718 HA THR 91 HA THR 91 -0.162 -19.528 -10.926 719 HB THR 91 HB THR 91 0.225 -17.983 -13.502 720 HG1 THR 91 HG1 THR 91 -1.598 -17.856 -11.376 721 HG21 THR 91 HG21 THR 91 -1.713 -20.196 -12.789 722 HG22 THR 91 HG22 THR 91 -0.330 -20.352 -13.872 723 HG23 THR 91 HG23 THR 91 -1.680 -19.305 -14.311 724 H GLY 92 H GLY 92 1.229 -21.160 -10.570 725 HA2 GLY 92 HA2 GLY 92 2.551 -22.921 -11.263 726 HA3 GLY 92 HA3 GLY 92 2.737 -22.131 -12.820 727 H GLY 93 H GLY 93 4.217 -20.264 -12.886 728 HA2 GLY 93 HA2 GLY 93 6.029 -19.616 -10.901 729 HA3 GLY 93 HA3 GLY 93 6.715 -20.981 -11.777
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