NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
591011 | 2mxa | 19971 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -17.077 12.679 -8.799 2 H2 MET 1 H2 MET 1 -18.342 12.658 -9.920 3 H3 MET 1 H3 MET 1 -18.027 11.292 -8.978 4 HA MET 1 HA MET 1 -18.962 13.915 -7.982 5 HB2 MET 1 HB2 MET 1 -20.716 12.702 -9.166 6 HB3 MET 1 HB3 MET 1 -20.373 11.253 -8.233 7 HG2 MET 1 HG2 MET 1 -21.024 12.484 -6.181 8 HG3 MET 1 HG3 MET 1 -21.499 13.842 -7.199 9 HE1 MET 1 HE1 MET 1 -22.165 10.124 -6.229 10 HE2 MET 1 HE2 MET 1 -21.938 9.973 -7.972 11 HE3 MET 1 HE3 MET 1 -23.528 9.697 -7.262 12 H ALA 2 H ALA 2 -18.585 10.473 -7.105 13 HA ALA 2 HA ALA 2 -18.097 11.327 -4.333 14 HB1 ALA 2 HB1 ALA 2 -18.883 8.613 -5.389 15 HB2 ALA 2 HB2 ALA 2 -19.984 9.794 -4.684 16 HB3 ALA 2 HB3 ALA 2 -18.721 9.065 -3.693 17 H THR 3 H THR 3 -16.375 10.430 -3.163 18 HA THR 3 HA THR 3 -13.979 9.950 -4.600 19 HB THR 3 HB THR 3 -14.620 9.449 -1.681 20 HG1 THR 3 HG1 THR 3 -14.262 11.725 -3.131 21 HG21 THR 3 HG21 THR 3 -12.575 8.293 -2.422 22 HG22 THR 3 HG22 THR 3 -12.223 9.600 -1.293 23 HG23 THR 3 HG23 THR 3 -11.937 9.825 -3.021 24 H ILE 4 H ILE 4 -12.834 8.021 -4.894 25 HA ILE 4 HA ILE 4 -14.151 5.841 -5.813 26 HB ILE 4 HB ILE 4 -11.472 5.607 -4.443 27 HG12 ILE 4 HG12 ILE 4 -10.857 5.944 -7.063 28 HG13 ILE 4 HG13 ILE 4 -12.257 7.001 -6.931 29 HG21 ILE 4 HG21 ILE 4 -12.693 4.085 -6.739 30 HG22 ILE 4 HG22 ILE 4 -12.458 3.488 -5.096 31 HG23 ILE 4 HG23 ILE 4 -11.062 3.860 -6.108 32 HD11 ILE 4 HD11 ILE 4 -10.227 8.249 -6.575 33 HD12 ILE 4 HD12 ILE 4 -9.743 7.150 -5.285 34 HD13 ILE 4 HD13 ILE 4 -11.153 8.186 -5.077 35 H VAL 5 H VAL 5 -12.757 6.107 -2.584 36 HA VAL 5 HA VAL 5 -13.608 3.558 -1.701 37 HB VAL 5 HB VAL 5 -11.711 4.452 -0.635 38 HG11 VAL 5 HG11 VAL 5 -11.927 6.772 -1.123 39 HG12 VAL 5 HG12 VAL 5 -11.762 6.591 0.625 40 HG13 VAL 5 HG13 VAL 5 -13.350 6.897 -0.084 41 HG21 VAL 5 HG21 VAL 5 -13.060 3.239 0.891 42 HG22 VAL 5 HG22 VAL 5 -14.063 4.659 1.184 43 HG23 VAL 5 HG23 VAL 5 -12.388 4.636 1.738 44 H ASP 6 H ASP 6 -14.936 6.789 -1.420 45 HA ASP 6 HA ASP 6 -16.784 6.417 0.619 46 HB2 ASP 6 HB2 ASP 6 -16.208 8.597 -0.486 47 HB3 ASP 6 HB3 ASP 6 -17.217 8.117 -1.838 48 H ILE 7 H ILE 7 -17.064 6.017 -2.828 49 HA ILE 7 HA ILE 7 -19.686 5.246 -3.109 50 HB ILE 7 HB ILE 7 -17.354 4.110 -4.646 51 HG12 ILE 7 HG12 ILE 7 -18.981 6.500 -5.448 52 HG13 ILE 7 HG13 ILE 7 -17.622 6.690 -4.342 53 HG21 ILE 7 HG21 ILE 7 -18.958 3.858 -6.464 54 HG22 ILE 7 HG22 ILE 7 -20.237 4.527 -5.452 55 HG23 ILE 7 HG23 ILE 7 -19.513 2.974 -5.042 56 HD11 ILE 7 HD11 ILE 7 -17.016 7.138 -6.672 57 HD12 ILE 7 HD12 ILE 7 -17.444 5.477 -7.088 58 HD13 ILE 7 HD13 ILE 7 -16.109 5.795 -5.979 59 H ALA 8 H ALA 8 -17.075 3.404 -1.704 60 HA ALA 8 HA ALA 8 -18.101 0.813 -2.066 61 HB1 ALA 8 HB1 ALA 8 -16.686 0.189 -0.143 62 HB2 ALA 8 HB2 ALA 8 -16.396 1.904 0.169 63 HB3 ALA 8 HB3 ALA 8 -15.828 1.172 -1.331 64 H VAL 9 H VAL 9 -18.712 3.227 0.464 65 HA VAL 9 HA VAL 9 -20.592 1.542 1.857 66 HB VAL 9 HB VAL 9 -20.303 4.544 2.070 67 HG11 VAL 9 HG11 VAL 9 -21.366 2.506 4.022 68 HG12 VAL 9 HG12 VAL 9 -22.330 3.653 3.093 69 HG13 VAL 9 HG13 VAL 9 -21.207 4.237 4.320 70 HG21 VAL 9 HG21 VAL 9 -18.769 4.144 3.923 71 HG22 VAL 9 HG22 VAL 9 -18.137 3.477 2.417 72 HG23 VAL 9 HG23 VAL 9 -18.853 2.408 3.624 73 H ASN 10 H ASN 10 -20.670 3.501 -0.907 74 HA ASN 10 HA ASN 10 -23.489 4.167 -0.768 75 HB2 ASN 10 HB2 ASN 10 -21.883 5.806 -1.599 76 HB3 ASN 10 HB3 ASN 10 -21.429 4.687 -2.844 77 HD21 ASN 10 HD21 ASN 10 -21.843 6.307 -4.307 78 HD22 ASN 10 HD22 ASN 10 -23.446 6.680 -4.775 79 H THR 11 H THR 11 -21.425 1.827 -2.207 80 HA THR 11 HA THR 11 -22.785 1.190 -4.527 81 HB THR 11 HB THR 11 -21.777 -1.137 -4.189 82 HG1 THR 11 HG1 THR 11 -21.399 -0.167 -1.764 83 HG21 THR 11 HG21 THR 11 -20.809 0.612 -5.604 84 HG22 THR 11 HG22 THR 11 -19.560 -0.332 -4.790 85 HG23 THR 11 HG23 THR 11 -19.973 1.276 -4.198 86 HA PRO 12 HA PRO 12 -26.365 -0.993 -3.001 87 HB2 PRO 12 HB2 PRO 12 -26.914 -1.735 -5.748 88 HB3 PRO 12 HB3 PRO 12 -27.776 -0.588 -4.729 89 HG2 PRO 12 HG2 PRO 12 -26.313 0.156 -6.894 90 HG3 PRO 12 HG3 PRO 12 -26.566 1.198 -5.484 91 HD2 PRO 12 HD2 PRO 12 -24.210 -0.509 -6.181 92 HD3 PRO 12 HD3 PRO 12 -24.254 1.147 -5.548 93 H GLY 13 H GLY 13 -24.397 -2.459 -2.323 94 HA2 GLY 13 HA2 GLY 13 -23.929 -4.680 -1.906 95 HA3 GLY 13 HA3 GLY 13 -25.239 -5.110 -2.996 96 H PHE 14 H PHE 14 -22.278 -3.256 -3.579 97 HA PHE 14 HA PHE 14 -21.689 -4.570 -6.012 98 HB2 PHE 14 HB2 PHE 14 -20.594 -2.424 -4.521 99 HB3 PHE 14 HB3 PHE 14 -19.282 -3.546 -4.853 100 HD1 PHE 14 HD1 PHE 14 -22.083 -1.766 -6.547 101 HD2 PHE 14 HD2 PHE 14 -18.188 -3.446 -6.883 102 HE1 PHE 14 HE1 PHE 14 -21.890 -0.853 -8.822 103 HE2 PHE 14 HE2 PHE 14 -17.988 -2.535 -9.160 104 HZ PHE 14 HZ PHE 14 -19.840 -1.237 -10.131 105 H SER 15 H SER 15 -19.171 -5.329 -6.122 106 HA SER 15 HA SER 15 -19.050 -7.913 -5.107 107 HB2 SER 15 HB2 SER 15 -16.745 -6.140 -5.947 108 HB3 SER 15 HB3 SER 15 -16.742 -7.902 -5.893 109 HG SER 15 HG SER 15 -18.052 -7.986 -7.620 110 H THR 16 H THR 16 -17.362 -8.774 -3.643 111 HA THR 16 HA THR 16 -17.589 -7.639 -1.080 112 HB THR 16 HB THR 16 -15.522 -9.675 -1.949 113 HG1 THR 16 HG1 THR 16 -17.699 -10.286 -2.534 114 HG21 THR 16 HG21 THR 16 -15.673 -10.451 0.364 115 HG22 THR 16 HG22 THR 16 -16.854 -9.192 0.720 116 HG23 THR 16 HG23 THR 16 -15.196 -8.755 0.306 117 H LEU 17 H LEU 17 -15.398 -7.063 -3.642 118 HA LEU 17 HA LEU 17 -13.128 -6.125 -2.400 119 HB2 LEU 17 HB2 LEU 17 -14.531 -4.984 -4.815 120 HB3 LEU 17 HB3 LEU 17 -12.888 -4.600 -4.344 121 HG LEU 17 HG LEU 17 -13.867 -7.344 -5.136 122 HD11 LEU 17 HD11 LEU 17 -12.195 -5.342 -6.647 123 HD12 LEU 17 HD12 LEU 17 -13.852 -5.813 -7.026 124 HD13 LEU 17 HD13 LEU 17 -12.547 -6.991 -7.165 125 HD21 LEU 17 HD21 LEU 17 -11.470 -7.905 -5.177 126 HD22 LEU 17 HD22 LEU 17 -12.028 -7.467 -3.563 127 HD23 LEU 17 HD23 LEU 17 -11.102 -6.311 -4.520 128 H VAL 18 H VAL 18 -16.291 -4.540 -2.646 129 HA VAL 18 HA VAL 18 -15.217 -2.014 -1.689 130 HB VAL 18 HB VAL 18 -17.368 -1.099 -1.858 131 HG11 VAL 18 HG11 VAL 18 -16.416 -1.593 -4.008 132 HG12 VAL 18 HG12 VAL 18 -18.167 -1.793 -4.075 133 HG13 VAL 18 HG13 VAL 18 -17.119 -3.210 -3.980 134 HG21 VAL 18 HG21 VAL 18 -18.520 -3.889 -1.901 135 HG22 VAL 18 HG22 VAL 18 -19.441 -2.393 -2.076 136 HG23 VAL 18 HG23 VAL 18 -18.609 -2.749 -0.550 137 H THR 19 H THR 19 -16.644 -4.864 -0.417 138 HA THR 19 HA THR 19 -17.253 -3.683 2.129 139 HB THR 19 HB THR 19 -17.153 -6.631 1.726 140 HG1 THR 19 HG1 THR 19 -19.288 -6.447 0.789 141 HG21 THR 19 HG21 THR 19 -18.960 -4.715 3.208 142 HG22 THR 19 HG22 THR 19 -17.764 -5.806 3.911 143 HG23 THR 19 HG23 THR 19 -19.207 -6.462 3.137 144 H ALA 20 H ALA 20 -14.665 -5.453 0.664 145 HA ALA 20 HA ALA 20 -13.333 -6.349 2.955 146 HB1 ALA 20 HB1 ALA 20 -11.452 -6.676 1.554 147 HB2 ALA 20 HB2 ALA 20 -12.071 -5.523 0.371 148 HB3 ALA 20 HB3 ALA 20 -12.901 -7.056 0.624 149 H VAL 21 H VAL 21 -13.159 -3.205 1.307 150 HA VAL 21 HA VAL 21 -11.276 -2.179 3.234 151 HB VAL 21 HB VAL 21 -11.144 -0.976 1.243 152 HG11 VAL 21 HG11 VAL 21 -14.159 -0.763 1.251 153 HG12 VAL 21 HG12 VAL 21 -13.184 -1.765 0.175 154 HG13 VAL 21 HG13 VAL 21 -13.090 -0.007 0.070 155 HG21 VAL 21 HG21 VAL 21 -11.150 0.543 3.107 156 HG22 VAL 21 HG22 VAL 21 -12.917 0.597 3.101 157 HG23 VAL 21 HG23 VAL 21 -12.007 1.294 1.754 158 H LYS 22 H LYS 22 -14.772 -2.206 2.875 159 HA LYS 22 HA LYS 22 -15.401 -0.383 4.908 160 HB2 LYS 22 HB2 LYS 22 -16.840 -2.466 3.393 161 HB3 LYS 22 HB3 LYS 22 -17.560 -2.033 4.923 162 HG2 LYS 22 HG2 LYS 22 -17.521 0.317 4.166 163 HG3 LYS 22 HG3 LYS 22 -16.972 -0.223 2.599 164 HD2 LYS 22 HD2 LYS 22 -19.535 -1.091 3.898 165 HD3 LYS 22 HD3 LYS 22 -19.389 0.224 2.737 166 HE2 LYS 22 HE2 LYS 22 -18.502 -1.355 1.082 167 HE3 LYS 22 HE3 LYS 22 -18.716 -2.658 2.232 168 HZ1 LYS 22 HZ1 LYS 22 -20.568 -2.652 0.772 169 HZ2 LYS 22 HZ2 LYS 22 -20.836 -1.000 1.007 170 HZ3 LYS 22 HZ3 LYS 22 -21.115 -2.091 2.269 171 H VAL 23 H VAL 23 -14.857 -3.845 4.940 172 HA VAL 23 HA VAL 23 -15.535 -4.169 7.717 173 HB VAL 23 HB VAL 23 -15.815 -6.027 6.139 174 HG11 VAL 23 HG11 VAL 23 -12.803 -6.024 5.948 175 HG12 VAL 23 HG12 VAL 23 -13.921 -5.533 4.671 176 HG13 VAL 23 HG13 VAL 23 -13.895 -7.212 5.227 177 HG21 VAL 23 HG21 VAL 23 -13.705 -6.580 8.209 178 HG22 VAL 23 HG22 VAL 23 -14.808 -7.764 7.503 179 HG23 VAL 23 HG23 VAL 23 -15.436 -6.465 8.520 180 H ALA 24 H ALA 24 -12.653 -3.708 5.826 181 HA ALA 24 HA ALA 24 -10.805 -4.175 7.945 182 HB1 ALA 24 HB1 ALA 24 -10.299 -4.386 5.516 183 HB2 ALA 24 HB2 ALA 24 -9.130 -3.459 6.458 184 HB3 ALA 24 HB3 ALA 24 -10.301 -2.625 5.440 185 H ASN 25 H ASN 25 -12.947 -1.757 7.443 186 HA ASN 25 HA ASN 25 -13.349 0.233 8.320 187 HB2 ASN 25 HB2 ASN 25 -12.613 0.666 10.440 188 HB3 ASN 25 HB3 ASN 25 -12.311 -1.052 10.296 189 HD21 ASN 25 HD21 ASN 25 -10.651 2.081 10.012 190 HD22 ASN 25 HD22 ASN 25 -9.117 1.490 10.555 191 H LEU 26 H LEU 26 -11.229 -0.155 6.119 192 HA LEU 26 HA LEU 26 -9.805 2.362 6.415 193 HB2 LEU 26 HB2 LEU 26 -9.528 0.048 4.593 194 HB3 LEU 26 HB3 LEU 26 -9.015 1.619 3.999 195 HG LEU 26 HG LEU 26 -7.597 1.807 6.102 196 HD11 LEU 26 HD11 LEU 26 -6.951 -0.380 7.089 197 HD12 LEU 26 HD12 LEU 26 -8.315 -1.105 6.241 198 HD13 LEU 26 HD13 LEU 26 -8.594 0.136 7.463 199 HD21 LEU 26 HD21 LEU 26 -5.815 0.380 5.155 200 HD22 LEU 26 HD22 LEU 26 -6.603 1.410 3.961 201 HD23 LEU 26 HD23 LEU 26 -7.002 -0.309 4.043 202 H VAL 27 H VAL 27 -12.805 1.727 5.617 203 HA VAL 27 HA VAL 27 -13.219 3.002 3.156 204 HB VAL 27 HB VAL 27 -14.853 2.040 5.283 205 HG11 VAL 27 HG11 VAL 27 -15.744 4.720 4.237 206 HG12 VAL 27 HG12 VAL 27 -15.261 4.362 5.898 207 HG13 VAL 27 HG13 VAL 27 -16.714 3.620 5.218 208 HG21 VAL 27 HG21 VAL 27 -15.049 1.188 3.077 209 HG22 VAL 27 HG22 VAL 27 -15.356 2.801 2.417 210 HG23 VAL 27 HG23 VAL 27 -16.566 2.021 3.434 211 H GLU 28 H GLU 28 -12.892 4.251 6.407 212 HA GLU 28 HA GLU 28 -13.179 6.986 5.516 213 HB2 GLU 28 HB2 GLU 28 -12.439 7.441 7.941 214 HB3 GLU 28 HB3 GLU 28 -14.006 6.704 7.647 215 HG2 GLU 28 HG2 GLU 28 -13.055 4.508 8.112 216 HG3 GLU 28 HG3 GLU 28 -11.496 5.262 8.460 217 H ALA 29 H ALA 29 -10.619 4.743 5.773 218 HA ALA 29 HA ALA 29 -8.537 6.629 6.219 219 HB1 ALA 29 HB1 ALA 29 -8.275 3.801 5.232 220 HB2 ALA 29 HB2 ALA 29 -8.411 4.259 6.931 221 HB3 ALA 29 HB3 ALA 29 -7.022 4.791 5.982 222 H LEU 30 H LEU 30 -9.458 4.632 3.426 223 HA LEU 30 HA LEU 30 -7.651 5.636 1.568 224 HB2 LEU 30 HB2 LEU 30 -10.428 4.785 0.868 225 HB3 LEU 30 HB3 LEU 30 -8.989 4.680 -0.120 226 HG LEU 30 HG LEU 30 -9.645 3.027 2.301 227 HD11 LEU 30 HD11 LEU 30 -10.824 2.453 0.247 228 HD12 LEU 30 HD12 LEU 30 -9.674 1.199 0.711 229 HD13 LEU 30 HD13 LEU 30 -9.281 2.319 -0.594 230 HD21 LEU 30 HD21 LEU 30 -7.283 3.442 2.333 231 HD22 LEU 30 HD22 LEU 30 -7.153 3.051 0.617 232 HD23 LEU 30 HD23 LEU 30 -7.579 1.791 1.780 233 H GLN 31 H GLN 31 -10.161 7.307 2.990 234 HA GLN 31 HA GLN 31 -11.264 8.756 0.826 235 HB2 GLN 31 HB2 GLN 31 -11.192 9.434 3.760 236 HB3 GLN 31 HB3 GLN 31 -12.215 10.213 2.559 237 HG2 GLN 31 HG2 GLN 31 -12.326 7.264 2.888 238 HG3 GLN 31 HG3 GLN 31 -13.134 8.303 4.049 239 HE21 GLN 31 HE21 GLN 31 -14.008 6.380 1.935 240 HE22 GLN 31 HE22 GLN 31 -15.244 7.257 1.109 241 H SER 32 H SER 32 -8.225 9.020 2.204 242 HA SER 32 HA SER 32 -7.743 11.736 2.438 243 HB2 SER 32 HB2 SER 32 -5.832 9.651 1.372 244 HB3 SER 32 HB3 SER 32 -5.397 11.187 2.121 245 HG SER 32 HG SER 32 -5.551 10.241 3.975 246 HA PRO 33 HA PRO 33 -8.338 12.857 -1.884 247 HB2 PRO 33 HB2 PRO 33 -8.417 15.517 -1.478 248 HB3 PRO 33 HB3 PRO 33 -9.792 14.465 -1.120 249 HG2 PRO 33 HG2 PRO 33 -7.794 15.693 0.723 250 HG3 PRO 33 HG3 PRO 33 -9.527 15.418 0.968 251 HD2 PRO 33 HD2 PRO 33 -7.526 13.828 2.001 252 HD3 PRO 33 HD3 PRO 33 -9.197 13.297 1.731 253 H GLY 34 H GLY 34 -5.772 13.596 0.210 254 HA2 GLY 34 HA2 GLY 34 -4.280 15.298 -1.531 255 HA3 GLY 34 HA3 GLY 34 -3.694 14.544 -0.061 256 HA PRO 35 HA PRO 35 -1.369 12.459 -3.292 257 HB2 PRO 35 HB2 PRO 35 0.862 12.085 -1.828 258 HB3 PRO 35 HB3 PRO 35 0.453 13.627 -2.581 259 HG2 PRO 35 HG2 PRO 35 0.315 12.808 0.249 260 HG3 PRO 35 HG3 PRO 35 0.561 14.413 -0.443 261 HD2 PRO 35 HD2 PRO 35 -1.832 13.361 0.611 262 HD3 PRO 35 HD3 PRO 35 -1.642 14.871 -0.298 263 H PHE 36 H PHE 36 -0.203 10.369 -3.478 264 HA PHE 36 HA PHE 36 -1.104 8.341 -1.572 265 HB2 PHE 36 HB2 PHE 36 -1.829 8.480 -4.494 266 HB3 PHE 36 HB3 PHE 36 -1.739 6.939 -3.654 267 HD1 PHE 36 HD1 PHE 36 -3.286 6.423 -1.822 268 HD2 PHE 36 HD2 PHE 36 -3.660 9.978 -4.126 269 HE1 PHE 36 HE1 PHE 36 -5.590 6.700 -1.011 270 HE2 PHE 36 HE2 PHE 36 -5.964 10.263 -3.320 271 HZ PHE 36 HZ PHE 36 -6.933 8.621 -1.761 272 H THR 37 H THR 37 0.544 7.061 -1.080 273 HA THR 37 HA THR 37 2.729 6.733 -3.012 274 HB THR 37 HB THR 37 2.651 6.440 -0.004 275 HG1 THR 37 HG1 THR 37 3.259 8.443 -0.181 276 HG21 THR 37 HG21 THR 37 4.955 5.878 -1.888 277 HG22 THR 37 HG22 THR 37 4.068 4.671 -0.957 278 HG23 THR 37 HG23 THR 37 5.037 5.887 -0.126 279 H VAL 38 H VAL 38 2.798 4.903 -4.069 280 HA VAL 38 HA VAL 38 1.424 2.539 -2.974 281 HB VAL 38 HB VAL 38 2.188 3.105 -5.847 282 HG11 VAL 38 HG11 VAL 38 2.039 0.740 -5.358 283 HG12 VAL 38 HG12 VAL 38 0.683 1.241 -6.367 284 HG13 VAL 38 HG13 VAL 38 0.444 0.965 -4.642 285 HG21 VAL 38 HG21 VAL 38 0.487 4.685 -5.089 286 HG22 VAL 38 HG22 VAL 38 -0.517 3.343 -4.537 287 HG23 VAL 38 HG23 VAL 38 -0.176 3.540 -6.255 288 H PHE 39 H PHE 39 2.795 1.016 -2.168 289 HA PHE 39 HA PHE 39 5.507 0.807 -3.200 290 HB2 PHE 39 HB2 PHE 39 4.032 -1.093 -1.329 291 HB3 PHE 39 HB3 PHE 39 5.737 -1.168 -1.723 292 HD1 PHE 39 HD1 PHE 39 4.475 2.186 -1.261 293 HD2 PHE 39 HD2 PHE 39 6.055 -1.246 0.699 294 HE1 PHE 39 HE1 PHE 39 5.008 3.564 0.709 295 HE2 PHE 39 HE2 PHE 39 6.588 0.128 2.676 296 HZ PHE 39 HZ PHE 39 6.067 2.536 2.679 297 H ALA 40 H ALA 40 5.830 -0.112 -5.076 298 HA ALA 40 HA ALA 40 3.668 -1.774 -6.210 299 HB1 ALA 40 HB1 ALA 40 4.327 0.148 -7.521 300 HB2 ALA 40 HB2 ALA 40 4.744 -1.337 -8.376 301 HB3 ALA 40 HB3 ALA 40 5.998 -0.414 -7.548 302 HA PRO 41 HA PRO 41 6.480 -5.253 -5.623 303 HB2 PRO 41 HB2 PRO 41 4.641 -7.182 -6.073 304 HB3 PRO 41 HB3 PRO 41 4.756 -6.326 -4.526 305 HG2 PRO 41 HG2 PRO 41 2.846 -5.927 -6.791 306 HG3 PRO 41 HG3 PRO 41 2.545 -5.873 -5.045 307 HD2 PRO 41 HD2 PRO 41 2.858 -3.651 -6.625 308 HD3 PRO 41 HD3 PRO 41 3.193 -3.689 -4.883 309 H ASN 42 H ASN 42 7.767 -6.129 -7.152 310 HA ASN 42 HA ASN 42 7.183 -5.684 -9.915 311 HB2 ASN 42 HB2 ASN 42 9.331 -6.701 -10.393 312 HB3 ASN 42 HB3 ASN 42 9.497 -5.617 -9.039 313 HD21 ASN 42 HD21 ASN 42 11.313 -6.554 -8.292 314 HD22 ASN 42 HD22 ASN 42 11.375 -8.122 -7.598 315 H ASP 43 H ASP 43 7.994 -7.878 -11.310 316 HA ASP 43 HA ASP 43 5.640 -9.433 -11.286 317 HB2 ASP 43 HB2 ASP 43 8.274 -9.811 -12.701 318 HB3 ASP 43 HB3 ASP 43 6.912 -10.908 -12.907 319 H ASP 44 H ASP 44 8.664 -9.788 -9.606 320 HA ASP 44 HA ASP 44 8.211 -12.645 -9.131 321 HB2 ASP 44 HB2 ASP 44 10.502 -11.705 -9.585 322 HB3 ASP 44 HB3 ASP 44 10.392 -10.889 -8.033 323 H ALA 45 H ALA 45 7.709 -9.595 -7.796 324 HA ALA 45 HA ALA 45 7.273 -10.484 -5.087 325 HB1 ALA 45 HB1 ALA 45 7.004 -8.242 -4.554 326 HB2 ALA 45 HB2 ALA 45 6.506 -7.814 -6.192 327 HB3 ALA 45 HB3 ALA 45 8.199 -8.205 -5.865 328 H PHE 46 H PHE 46 5.449 -9.528 -7.923 329 HA PHE 46 HA PHE 46 2.845 -9.786 -6.900 330 HB2 PHE 46 HB2 PHE 46 3.638 -8.877 -9.168 331 HB3 PHE 46 HB3 PHE 46 3.713 -10.552 -9.690 332 HD1 PHE 46 HD1 PHE 46 1.527 -7.783 -8.762 333 HD2 PHE 46 HD2 PHE 46 1.685 -11.835 -10.043 334 HE1 PHE 46 HE1 PHE 46 -0.867 -7.697 -9.316 335 HE2 PHE 46 HE2 PHE 46 -0.709 -11.757 -10.602 336 HZ PHE 46 HZ PHE 46 -1.988 -9.685 -10.235 337 H ALA 47 H ALA 47 5.309 -11.978 -7.575 338 HA ALA 47 HA ALA 47 3.720 -14.360 -7.857 339 HB1 ALA 47 HB1 ALA 47 5.953 -15.474 -7.776 340 HB2 ALA 47 HB2 ALA 47 6.677 -13.875 -7.562 341 HB3 ALA 47 HB3 ALA 47 5.787 -14.252 -9.036 342 H LYS 48 H LYS 48 4.735 -12.426 -5.314 343 HA LYS 48 HA LYS 48 4.840 -14.523 -3.294 344 HB2 LYS 48 HB2 LYS 48 4.756 -11.560 -2.821 345 HB3 LYS 48 HB3 LYS 48 5.393 -12.822 -1.777 346 HG2 LYS 48 HG2 LYS 48 6.565 -12.038 -4.425 347 HG3 LYS 48 HG3 LYS 48 7.151 -11.467 -2.861 348 HD2 LYS 48 HD2 LYS 48 7.003 -14.350 -3.746 349 HD3 LYS 48 HD3 LYS 48 8.463 -13.353 -3.767 350 HE2 LYS 48 HE2 LYS 48 8.303 -13.078 -1.333 351 HE3 LYS 48 HE3 LYS 48 6.856 -14.084 -1.319 352 HZ1 LYS 48 HZ1 LYS 48 9.585 -14.940 -2.105 353 HZ2 LYS 48 HZ2 LYS 48 8.207 -15.909 -2.218 354 HZ3 LYS 48 HZ3 LYS 48 8.753 -15.390 -0.704 355 H LEU 49 H LEU 49 2.698 -12.265 -4.704 356 HA LEU 49 HA LEU 49 0.745 -11.903 -2.808 357 HB2 LEU 49 HB2 LEU 49 0.623 -12.052 -5.794 358 HB3 LEU 49 HB3 LEU 49 -0.774 -11.636 -4.826 359 HG LEU 49 HG LEU 49 1.822 -10.121 -5.044 360 HD11 LEU 49 HD11 LEU 49 -1.013 -9.350 -5.687 361 HD12 LEU 49 HD12 LEU 49 0.245 -9.750 -6.857 362 HD13 LEU 49 HD13 LEU 49 0.410 -8.319 -5.839 363 HD21 LEU 49 HD21 LEU 49 0.771 -8.512 -3.472 364 HD22 LEU 49 HD22 LEU 49 1.192 -10.065 -2.750 365 HD23 LEU 49 HD23 LEU 49 -0.487 -9.709 -3.159 366 HA PRO 50 HA PRO 50 -1.805 -15.569 -4.856 367 HB2 PRO 50 HB2 PRO 50 -0.159 -17.748 -5.438 368 HB3 PRO 50 HB3 PRO 50 -0.890 -16.650 -6.609 369 HG2 PRO 50 HG2 PRO 50 1.866 -16.673 -5.495 370 HG3 PRO 50 HG3 PRO 50 1.309 -16.231 -7.118 371 HD2 PRO 50 HD2 PRO 50 2.042 -14.381 -5.309 372 HD3 PRO 50 HD3 PRO 50 0.716 -14.084 -6.463 373 H ASP 51 H ASP 51 -2.471 -15.666 -2.769 374 HA ASP 51 HA ASP 51 -2.744 -16.385 -0.636 375 HB2 ASP 51 HB2 ASP 51 -3.509 -18.344 -1.987 376 HB3 ASP 51 HB3 ASP 51 -1.910 -19.053 -1.783 377 H GLY 52 H GLY 52 -0.427 -15.120 -0.744 378 HA2 GLY 52 HA2 GLY 52 1.320 -16.809 0.931 379 HA3 GLY 52 HA3 GLY 52 1.969 -15.707 -0.274 380 H THR 53 H THR 53 2.176 -13.610 0.157 381 HA THR 53 HA THR 53 2.571 -12.870 2.825 382 HB THR 53 HB THR 53 2.237 -11.052 0.451 383 HG1 THR 53 HG1 THR 53 4.723 -11.280 0.697 384 HG21 THR 53 HG21 THR 53 3.832 -9.622 1.766 385 HG22 THR 53 HG22 THR 53 3.574 -10.712 3.130 386 HG23 THR 53 HG23 THR 53 2.223 -9.792 2.465 387 H ILE 54 H ILE 54 0.186 -11.629 0.490 388 HA ILE 54 HA ILE 54 -1.105 -9.960 2.263 389 HB ILE 54 HB ILE 54 -1.499 -10.825 -0.442 390 HG12 ILE 54 HG12 ILE 54 -2.184 -8.436 -0.597 391 HG13 ILE 54 HG13 ILE 54 -2.166 -8.370 1.158 392 HG21 ILE 54 HG21 ILE 54 -3.874 -10.248 -0.623 393 HG22 ILE 54 HG22 ILE 54 -3.979 -10.123 1.132 394 HG23 ILE 54 HG23 ILE 54 -3.647 -11.683 0.379 395 HD11 ILE 54 HD11 ILE 54 0.135 -8.560 -0.700 396 HD12 ILE 54 HD12 ILE 54 0.273 -9.045 0.991 397 HD13 ILE 54 HD13 ILE 54 -0.192 -7.391 0.586 398 H THR 55 H THR 55 -1.454 -13.334 1.761 399 HA THR 55 HA THR 55 -3.904 -13.699 3.092 400 HB THR 55 HB THR 55 -1.576 -15.571 2.836 401 HG1 THR 55 HG1 THR 55 -3.297 -16.533 1.338 402 HG21 THR 55 HG21 THR 55 -3.011 -16.118 4.776 403 HG22 THR 55 HG22 THR 55 -3.119 -17.341 3.506 404 HG23 THR 55 HG23 THR 55 -4.411 -16.156 3.703 405 H SER 56 H SER 56 -0.587 -13.544 4.325 406 HA SER 56 HA SER 56 -1.424 -14.025 7.025 407 HB2 SER 56 HB2 SER 56 0.811 -14.734 6.270 408 HB3 SER 56 HB3 SER 56 1.223 -13.058 5.915 409 HG SER 56 HG SER 56 1.862 -12.956 7.908 410 H LEU 57 H LEU 57 -0.819 -11.419 4.932 411 HA LEU 57 HA LEU 57 -0.729 -9.300 6.812 412 HB2 LEU 57 HB2 LEU 57 -0.877 -9.628 3.949 413 HB3 LEU 57 HB3 LEU 57 -1.590 -8.147 4.519 414 HG LEU 57 HG LEU 57 0.534 -7.524 5.543 415 HD11 LEU 57 HD11 LEU 57 1.522 -10.148 4.442 416 HD12 LEU 57 HD12 LEU 57 1.425 -9.672 6.137 417 HD13 LEU 57 HD13 LEU 57 2.565 -8.866 5.059 418 HD21 LEU 57 HD21 LEU 57 1.769 -7.994 3.055 419 HD22 LEU 57 HD22 LEU 57 0.894 -6.548 3.560 420 HD23 LEU 57 HD23 LEU 57 0.035 -7.854 2.724 421 H VAL 58 H VAL 58 -3.343 -11.055 5.244 422 HA VAL 58 HA VAL 58 -5.323 -9.080 5.963 423 HB VAL 58 HB VAL 58 -5.579 -10.687 4.024 424 HG11 VAL 58 HG11 VAL 58 -6.631 -12.902 4.674 425 HG12 VAL 58 HG12 VAL 58 -5.995 -12.612 6.304 426 HG13 VAL 58 HG13 VAL 58 -4.887 -12.751 4.927 427 HG21 VAL 58 HG21 VAL 58 -7.830 -10.709 6.030 428 HG22 VAL 58 HG22 VAL 58 -7.967 -10.862 4.277 429 HG23 VAL 58 HG23 VAL 58 -7.424 -9.341 4.993 430 H GLN 59 H GLN 59 -3.922 -11.949 7.334 431 HA GLN 59 HA GLN 59 -5.786 -12.317 9.434 432 HB2 GLN 59 HB2 GLN 59 -2.853 -13.000 9.512 433 HB3 GLN 59 HB3 GLN 59 -4.174 -13.828 10.317 434 HG2 GLN 59 HG2 GLN 59 -4.202 -13.659 7.373 435 HG3 GLN 59 HG3 GLN 59 -3.079 -14.771 8.120 436 HE21 GLN 59 HE21 GLN 59 -5.268 -15.348 6.410 437 HE22 GLN 59 HE22 GLN 59 -6.368 -16.351 7.285 438 H ASN 60 H ASN 60 -3.164 -10.327 8.773 439 HA ASN 60 HA ASN 60 -2.600 -9.309 11.351 440 HB2 ASN 60 HB2 ASN 60 -1.638 -9.034 8.601 441 HB3 ASN 60 HB3 ASN 60 -1.539 -7.564 9.535 442 HD21 ASN 60 HD21 ASN 60 -0.450 -10.825 9.214 443 HD22 ASN 60 HD22 ASN 60 0.887 -10.700 10.306 444 HA PRO 61 HA PRO 61 -5.102 -5.638 12.020 445 HB2 PRO 61 HB2 PRO 61 -2.690 -4.183 10.967 446 HB3 PRO 61 HB3 PRO 61 -3.734 -3.769 12.332 447 HG2 PRO 61 HG2 PRO 61 -1.409 -4.977 12.741 448 HG3 PRO 61 HG3 PRO 61 -2.840 -5.415 13.693 449 HD2 PRO 61 HD2 PRO 61 -1.452 -6.932 11.574 450 HD3 PRO 61 HD3 PRO 61 -2.484 -7.516 12.892 451 HA PRO 62 HA PRO 62 -7.547 -4.038 8.815 452 HB2 PRO 62 HB2 PRO 62 -6.281 -1.389 9.248 453 HB3 PRO 62 HB3 PRO 62 -7.989 -1.793 9.051 454 HG2 PRO 62 HG2 PRO 62 -7.013 -1.385 11.469 455 HG3 PRO 62 HG3 PRO 62 -8.146 -2.717 11.180 456 HD2 PRO 62 HD2 PRO 62 -5.224 -2.788 11.663 457 HD3 PRO 62 HD3 PRO 62 -6.465 -3.987 12.065 458 H GLN 63 H GLN 63 -4.195 -3.692 8.265 459 HA GLN 63 HA GLN 63 -3.801 -2.265 5.996 460 HB2 GLN 63 HB2 GLN 63 -2.127 -3.556 7.274 461 HB3 GLN 63 HB3 GLN 63 -2.653 -4.983 6.387 462 HG2 GLN 63 HG2 GLN 63 -2.280 -3.329 4.353 463 HG3 GLN 63 HG3 GLN 63 -1.085 -2.657 5.471 464 HE21 GLN 63 HE21 GLN 63 -2.270 -5.864 4.801 465 HE22 GLN 63 HE22 GLN 63 -0.756 -6.524 4.481 466 H LEU 64 H LEU 64 -5.709 -5.155 6.101 467 HA LEU 64 HA LEU 64 -5.715 -6.078 3.534 468 HB2 LEU 64 HB2 LEU 64 -7.111 -7.175 5.074 469 HB3 LEU 64 HB3 LEU 64 -7.932 -5.689 5.523 470 HG LEU 64 HG LEU 64 -8.783 -5.652 3.127 471 HD11 LEU 64 HD11 LEU 64 -7.968 -8.543 3.282 472 HD12 LEU 64 HD12 LEU 64 -7.294 -7.323 2.203 473 HD13 LEU 64 HD13 LEU 64 -8.975 -7.825 2.026 474 HD21 LEU 64 HD21 LEU 64 -10.100 -6.219 5.205 475 HD22 LEU 64 HD22 LEU 64 -9.839 -7.917 4.788 476 HD23 LEU 64 HD23 LEU 64 -10.722 -6.859 3.678 477 H GLY 65 H GLY 65 -7.582 -3.337 4.802 478 HA2 GLY 65 HA2 GLY 65 -9.033 -2.661 2.539 479 HA3 GLY 65 HA3 GLY 65 -8.547 -1.522 3.772 480 H ARG 66 H ARG 66 -5.723 -1.915 3.287 481 HA ARG 66 HA ARG 66 -5.342 0.019 1.226 482 HB2 ARG 66 HB2 ARG 66 -3.806 0.286 2.897 483 HB3 ARG 66 HB3 ARG 66 -3.707 -1.432 3.231 484 HG2 ARG 66 HG2 ARG 66 -2.571 -0.553 0.661 485 HG3 ARG 66 HG3 ARG 66 -1.752 -0.011 2.115 486 HD2 ARG 66 HD2 ARG 66 -1.713 -2.382 2.898 487 HD3 ARG 66 HD3 ARG 66 -2.324 -2.845 1.310 488 HE ARG 66 HE ARG 66 0.180 -1.320 1.516 489 HH11 ARG 66 HH11 ARG 66 -1.480 -4.271 0.633 490 HH12 ARG 66 HH12 ARG 66 -0.130 -4.923 -0.236 491 HH21 ARG 66 HH21 ARG 66 1.968 -2.194 0.378 492 HH22 ARG 66 HH22 ARG 66 1.825 -3.751 -0.371 493 H ILE 67 H ILE 67 -4.373 -3.293 1.694 494 HA ILE 67 HA ILE 67 -3.239 -4.062 -0.621 495 HB ILE 67 HB ILE 67 -5.321 -5.624 0.904 496 HG12 ILE 67 HG12 ILE 67 -2.330 -5.570 1.284 497 HG13 ILE 67 HG13 ILE 67 -3.433 -4.612 2.238 498 HG21 ILE 67 HG21 ILE 67 -4.807 -6.652 -1.234 499 HG22 ILE 67 HG22 ILE 67 -4.118 -7.605 0.083 500 HG23 ILE 67 HG23 ILE 67 -3.080 -6.556 -0.886 501 HD11 ILE 67 HD11 ILE 67 -3.584 -6.275 3.645 502 HD12 ILE 67 HD12 ILE 67 -2.642 -7.324 2.588 503 HD13 ILE 67 HD13 ILE 67 -4.393 -7.226 2.394 504 H LEU 68 H LEU 68 -6.784 -3.995 -0.097 505 HA LEU 68 HA LEU 68 -7.565 -5.466 -2.258 506 HB2 LEU 68 HB2 LEU 68 -8.908 -3.190 -0.877 507 HB3 LEU 68 HB3 LEU 68 -9.663 -3.942 -2.263 508 HG LEU 68 HG LEU 68 -10.638 -5.275 -0.782 509 HD11 LEU 68 HD11 LEU 68 -9.047 -6.823 -1.741 510 HD12 LEU 68 HD12 LEU 68 -9.385 -7.233 -0.060 511 HD13 LEU 68 HD13 LEU 68 -7.879 -6.420 -0.484 512 HD21 LEU 68 HD21 LEU 68 -9.994 -3.747 1.028 513 HD22 LEU 68 HD22 LEU 68 -8.495 -4.654 1.235 514 HD23 LEU 68 HD23 LEU 68 -10.053 -5.431 1.556 515 H LYS 69 H LYS 69 -7.513 -1.873 -2.347 516 HA LYS 69 HA LYS 69 -8.174 -2.092 -5.162 517 HB2 LYS 69 HB2 LYS 69 -8.053 0.269 -3.299 518 HB3 LYS 69 HB3 LYS 69 -8.399 0.415 -5.016 519 HG2 LYS 69 HG2 LYS 69 -10.033 -1.048 -2.953 520 HG3 LYS 69 HG3 LYS 69 -10.459 0.442 -3.798 521 HD2 LYS 69 HD2 LYS 69 -10.249 -0.936 -5.947 522 HD3 LYS 69 HD3 LYS 69 -10.272 -2.349 -4.895 523 HE2 LYS 69 HE2 LYS 69 -12.502 -1.925 -5.693 524 HE3 LYS 69 HE3 LYS 69 -12.431 -1.574 -3.967 525 HZ1 LYS 69 HZ1 LYS 69 -12.252 0.466 -6.121 526 HZ2 LYS 69 HZ2 LYS 69 -12.293 0.765 -4.457 527 HZ3 LYS 69 HZ3 LYS 69 -13.649 0.119 -5.231 528 H TYR 70 H TYR 70 -5.729 -0.179 -3.339 529 HA TYR 70 HA TYR 70 -4.205 -0.167 -5.860 530 HB2 TYR 70 HB2 TYR 70 -4.351 2.088 -3.867 531 HB3 TYR 70 HB3 TYR 70 -3.508 2.106 -5.411 532 HD1 TYR 70 HD1 TYR 70 -5.186 1.389 -7.452 533 HD2 TYR 70 HD2 TYR 70 -6.328 3.240 -3.796 534 HE1 TYR 70 HE1 TYR 70 -7.215 2.260 -8.531 535 HE2 TYR 70 HE2 TYR 70 -8.363 4.110 -4.865 536 HH TYR 70 HH TYR 70 -9.086 4.683 -7.234 537 H HIS 71 H HIS 71 -4.086 -1.372 -2.837 538 HA HIS 71 HA HIS 71 -2.567 -1.647 -1.173 539 HB2 HIS 71 HB2 HIS 71 -0.351 -2.599 -1.972 540 HB3 HIS 71 HB3 HIS 71 -1.799 -3.442 -2.488 541 HD1 HIS 71 HD1 HIS 71 1.140 -1.553 -3.788 542 HD2 HIS 71 HD2 HIS 71 -2.310 -3.345 -5.258 543 HE1 HIS 71 HE1 HIS 71 1.473 -1.728 -6.269 544 HE2 HIS 71 HE2 HIS 71 -0.564 -2.938 -7.121 545 H VAL 72 H VAL 72 -2.906 0.816 -1.138 546 HA VAL 72 HA VAL 72 -0.392 2.261 -1.643 547 HB VAL 72 HB VAL 72 -2.209 2.751 -3.271 548 HG11 VAL 72 HG11 VAL 72 -4.120 2.404 -1.806 549 HG12 VAL 72 HG12 VAL 72 -4.179 4.003 -2.549 550 HG13 VAL 72 HG13 VAL 72 -3.673 3.829 -0.869 551 HG21 VAL 72 HG21 VAL 72 -1.569 5.093 -1.483 552 HG22 VAL 72 HG22 VAL 72 -2.074 5.161 -3.171 553 HG23 VAL 72 HG23 VAL 72 -0.516 4.454 -2.747 554 H VAL 73 H VAL 73 0.025 4.079 -0.312 555 HA VAL 73 HA VAL 73 -1.681 4.433 2.052 556 HB VAL 73 HB VAL 73 0.202 3.418 3.035 557 HG11 VAL 73 HG11 VAL 73 2.498 3.871 2.495 558 HG12 VAL 73 HG12 VAL 73 2.031 5.179 1.412 559 HG13 VAL 73 HG13 VAL 73 1.642 3.508 0.995 560 HG21 VAL 73 HG21 VAL 73 1.247 5.136 4.324 561 HG22 VAL 73 HG22 VAL 73 -0.444 5.574 4.056 562 HG23 VAL 73 HG23 VAL 73 0.843 6.348 3.107 563 H ALA 74 H ALA 74 -2.344 6.485 2.324 564 HA ALA 74 HA ALA 74 -1.767 8.517 0.436 565 HB1 ALA 74 HB1 ALA 74 -3.862 8.515 1.608 566 HB2 ALA 74 HB2 ALA 74 -2.984 9.987 2.038 567 HB3 ALA 74 HB3 ALA 74 -3.039 8.624 3.167 568 H GLY 75 H GLY 75 -0.636 10.394 0.623 569 HA2 GLY 75 HA2 GLY 75 0.884 11.856 1.779 570 HA3 GLY 75 HA3 GLY 75 1.344 10.494 2.791 571 H ALA 76 H ALA 76 1.902 12.156 -0.129 572 HA ALA 76 HA ALA 76 3.365 10.259 -1.578 573 HB1 ALA 76 HB1 ALA 76 3.506 13.265 -1.602 574 HB2 ALA 76 HB2 ALA 76 2.530 12.239 -2.650 575 HB3 ALA 76 HB3 ALA 76 4.286 12.215 -2.784 576 H TYR 77 H TYR 77 4.943 9.208 -0.587 577 HA TYR 77 HA TYR 77 7.082 10.804 0.701 578 HB2 TYR 77 HB2 TYR 77 6.859 7.839 1.089 579 HB3 TYR 77 HB3 TYR 77 7.627 9.043 2.113 580 HD1 TYR 77 HD1 TYR 77 5.761 10.877 3.007 581 HD2 TYR 77 HD2 TYR 77 5.046 6.811 1.972 582 HE1 TYR 77 HE1 TYR 77 3.788 10.850 4.479 583 HE2 TYR 77 HE2 TYR 77 3.074 6.768 3.435 584 HH TYR 77 HH TYR 77 1.526 9.366 4.496 585 H LYS 78 H LYS 78 9.011 10.838 -0.301 586 HA LYS 78 HA LYS 78 9.489 8.910 -2.421 587 HB2 LYS 78 HB2 LYS 78 11.105 11.321 -1.604 588 HB3 LYS 78 HB3 LYS 78 11.519 10.239 -2.930 589 HG2 LYS 78 HG2 LYS 78 10.430 11.898 -4.076 590 HG3 LYS 78 HG3 LYS 78 9.096 10.807 -3.734 591 HD2 LYS 78 HD2 LYS 78 9.221 12.406 -1.495 592 HD3 LYS 78 HD3 LYS 78 9.514 13.521 -2.836 593 HE2 LYS 78 HE2 LYS 78 7.520 12.601 -3.968 594 HE3 LYS 78 HE3 LYS 78 7.228 11.593 -2.551 595 HZ1 LYS 78 HZ1 LYS 78 7.328 14.562 -2.470 596 HZ2 LYS 78 HZ2 LYS 78 6.858 13.530 -1.218 597 HZ3 LYS 78 HZ3 LYS 78 5.897 13.676 -2.603 598 H ALA 79 H ALA 79 11.736 7.862 -2.459 599 HA ALA 79 HA ALA 79 11.826 6.069 -0.375 600 HB1 ALA 79 HB1 ALA 79 13.996 5.369 -1.213 601 HB2 ALA 79 HB2 ALA 79 14.146 6.871 -2.124 602 HB3 ALA 79 HB3 ALA 79 12.893 5.704 -2.547 603 H THR 80 H THR 80 13.313 9.178 -0.579 604 HA THR 80 HA THR 80 15.280 8.748 1.450 605 HB THR 80 HB THR 80 15.633 10.429 -0.292 606 HG1 THR 80 HG1 THR 80 16.398 10.657 2.041 607 HG21 THR 80 HG21 THR 80 14.409 12.543 -0.281 608 HG22 THR 80 HG22 THR 80 13.388 11.956 1.031 609 HG23 THR 80 HG23 THR 80 13.314 11.189 -0.554 610 H ASP 81 H ASP 81 11.939 9.724 1.447 611 HA ASP 81 HA ASP 81 12.003 10.956 4.050 612 HB2 ASP 81 HB2 ASP 81 10.314 11.575 2.341 613 HB3 ASP 81 HB3 ASP 81 9.652 9.947 2.424 614 H LEU 82 H LEU 82 10.732 7.948 2.696 615 HA LEU 82 HA LEU 82 9.916 6.666 4.979 616 HB2 LEU 82 HB2 LEU 82 11.165 5.598 2.457 617 HB3 LEU 82 HB3 LEU 82 10.403 4.573 3.662 618 HG LEU 82 HG LEU 82 8.556 4.824 2.427 619 HD11 LEU 82 HD11 LEU 82 7.138 6.654 2.948 620 HD12 LEU 82 HD12 LEU 82 8.518 7.659 3.380 621 HD13 LEU 82 HD13 LEU 82 8.091 6.278 4.383 622 HD21 LEU 82 HD21 LEU 82 9.706 7.305 1.207 623 HD22 LEU 82 HD22 LEU 82 8.262 6.450 0.664 624 HD23 LEU 82 HD23 LEU 82 9.840 5.672 0.555 625 H LYS 83 H LYS 83 13.125 6.515 3.473 626 HA LYS 83 HA LYS 83 14.209 4.752 5.401 627 HB2 LYS 83 HB2 LYS 83 15.084 5.059 3.105 628 HB3 LYS 83 HB3 LYS 83 15.640 6.658 3.574 629 HG2 LYS 83 HG2 LYS 83 17.174 5.721 5.160 630 HG3 LYS 83 HG3 LYS 83 16.554 4.098 4.850 631 HD2 LYS 83 HD2 LYS 83 17.334 4.201 2.561 632 HD3 LYS 83 HD3 LYS 83 17.869 5.866 2.792 633 HE2 LYS 83 HE2 LYS 83 18.937 3.483 4.294 634 HE3 LYS 83 HE3 LYS 83 19.712 4.224 2.898 635 HZ1 LYS 83 HZ1 LYS 83 19.218 5.497 5.532 636 HZ2 LYS 83 HZ2 LYS 83 19.825 6.310 4.181 637 HZ3 LYS 83 HZ3 LYS 83 20.716 5.057 4.881 638 H ARG 84 H ARG 84 14.160 8.260 5.126 639 HA ARG 84 HA ARG 84 15.970 8.949 7.107 640 HB2 ARG 84 HB2 ARG 84 14.053 10.206 5.508 641 HB3 ARG 84 HB3 ARG 84 13.644 10.627 7.158 642 HG2 ARG 84 HG2 ARG 84 15.462 11.921 7.428 643 HG3 ARG 84 HG3 ARG 84 16.491 10.833 6.494 644 HD2 ARG 84 HD2 ARG 84 15.561 11.664 4.440 645 HD3 ARG 84 HD3 ARG 84 14.448 12.707 5.321 646 HE ARG 84 HE ARG 84 16.887 13.494 6.210 647 HH11 ARG 84 HH11 ARG 84 15.493 13.106 3.025 648 HH12 ARG 84 HH12 ARG 84 16.450 14.364 2.311 649 HH21 ARG 84 HH21 ARG 84 18.154 15.160 5.267 650 HH22 ARG 84 HH22 ARG 84 17.968 15.520 3.579 651 H MET 85 H MET 85 12.594 8.072 7.250 652 HA MET 85 HA MET 85 12.406 8.356 10.115 653 HB2 MET 85 HB2 MET 85 10.541 7.111 8.098 654 HB3 MET 85 HB3 MET 85 10.176 7.284 9.804 655 HG2 MET 85 HG2 MET 85 10.345 9.696 9.593 656 HG3 MET 85 HG3 MET 85 10.741 9.519 7.888 657 HE1 MET 85 HE1 MET 85 6.654 8.287 9.657 658 HE2 MET 85 HE2 MET 85 8.004 8.858 10.636 659 HE3 MET 85 HE3 MET 85 8.108 7.301 9.814 660 H GLY 86 H GLY 86 12.914 5.795 7.798 661 HA2 GLY 86 HA2 GLY 86 13.876 3.703 8.164 662 HA3 GLY 86 HA3 GLY 86 13.896 4.046 9.886 663 H ILE 87 H ILE 87 10.920 4.610 8.467 664 HA ILE 87 HA ILE 87 9.787 2.032 8.629 665 HB ILE 87 HB ILE 87 10.109 2.997 11.091 666 HG12 ILE 87 HG12 ILE 87 7.406 1.866 10.407 667 HG13 ILE 87 HG13 ILE 87 8.855 0.890 10.246 668 HG21 ILE 87 HG21 ILE 87 8.056 4.157 11.817 669 HG22 ILE 87 HG22 ILE 87 7.557 4.240 10.123 670 HG23 ILE 87 HG23 ILE 87 9.006 5.094 10.660 671 HD11 ILE 87 HD11 ILE 87 7.818 2.161 12.758 672 HD12 ILE 87 HD12 ILE 87 9.328 1.260 12.626 673 HD13 ILE 87 HD13 ILE 87 7.790 0.447 12.345 674 H VAL 88 H VAL 88 7.564 2.084 8.064 675 HA VAL 88 HA VAL 88 6.610 4.619 6.921 676 HB VAL 88 HB VAL 88 5.674 3.203 5.031 677 HG11 VAL 88 HG11 VAL 88 8.617 3.612 5.471 678 HG12 VAL 88 HG12 VAL 88 7.488 4.595 4.531 679 HG13 VAL 88 HG13 VAL 88 7.972 3.010 3.939 680 HG21 VAL 88 HG21 VAL 88 5.919 1.022 6.141 681 HG22 VAL 88 HG22 VAL 88 7.678 1.212 6.120 682 HG23 VAL 88 HG23 VAL 88 6.781 1.062 4.601 683 H THR 89 H THR 89 4.400 4.972 7.131 684 HA THR 89 HA THR 89 2.986 2.887 8.649 685 HB THR 89 HB THR 89 2.153 5.770 8.668 686 HG1 THR 89 HG1 THR 89 4.311 5.769 9.369 687 HG21 THR 89 HG21 THR 89 1.237 5.099 10.864 688 HG22 THR 89 HG22 THR 89 1.841 3.458 10.599 689 HG23 THR 89 HG23 THR 89 0.587 4.123 9.545 690 H SER 90 H SER 90 1.173 2.088 7.905 691 HA SER 90 HA SER 90 0.312 2.565 5.252 692 HB2 SER 90 HB2 SER 90 0.044 0.375 6.121 693 HB3 SER 90 HB3 SER 90 -0.779 0.944 7.568 694 HG SER 90 HG SER 90 -2.128 -0.017 5.874 695 H LEU 91 H LEU 91 -1.913 3.156 4.640 696 HA LEU 91 HA LEU 91 -2.855 5.567 5.595 697 HB2 LEU 91 HB2 LEU 91 -3.459 4.074 3.507 698 HB3 LEU 91 HB3 LEU 91 -4.786 3.550 4.514 699 HG LEU 91 HG LEU 91 -5.833 5.578 4.483 700 HD11 LEU 91 HD11 LEU 91 -3.135 6.743 3.940 701 HD12 LEU 91 HD12 LEU 91 -4.175 6.999 5.345 702 HD13 LEU 91 HD13 LEU 91 -4.627 7.669 3.774 703 HD21 LEU 91 HD21 LEU 91 -5.763 4.650 2.239 704 HD22 LEU 91 HD22 LEU 91 -4.288 5.561 1.912 705 HD23 LEU 91 HD23 LEU 91 -5.800 6.415 2.213 706 H GLU 92 H GLU 92 -3.392 2.311 6.660 707 HA GLU 92 HA GLU 92 -5.657 2.965 8.357 708 HB2 GLU 92 HB2 GLU 92 -5.592 0.636 9.037 709 HB3 GLU 92 HB3 GLU 92 -5.472 0.752 7.277 710 HG2 GLU 92 HG2 GLU 92 -3.727 -0.619 7.435 711 HG3 GLU 92 HG3 GLU 92 -2.843 0.742 8.116 712 H GLY 93 H GLY 93 -2.260 2.811 8.570 713 HA2 GLY 93 HA2 GLY 93 -1.191 4.004 10.407 714 HA3 GLY 93 HA3 GLY 93 -2.405 3.325 11.469 715 H SER 94 H SER 94 -1.156 1.116 9.160 716 HA SER 94 HA SER 94 0.306 -0.244 11.223 717 HB2 SER 94 HB2 SER 94 -0.793 -0.957 8.586 718 HB3 SER 94 HB3 SER 94 0.696 -1.783 9.038 719 HG SER 94 HG SER 94 -1.850 -2.098 9.998 720 H THR 95 H THR 95 2.383 0.054 11.600 721 HA THR 95 HA THR 95 4.031 1.416 9.652 722 HB THR 95 HB THR 95 5.615 0.784 11.859 723 HG1 THR 95 HG1 THR 95 4.105 0.294 13.299 724 HG21 THR 95 HG21 THR 95 5.574 2.904 10.630 725 HG22 THR 95 HG22 THR 95 5.409 3.163 12.367 726 HG23 THR 95 HG23 THR 95 3.994 3.273 11.320 727 H ILE 96 H ILE 96 5.712 0.623 8.578 728 HA ILE 96 HA ILE 96 6.595 -2.132 9.063 729 HB ILE 96 HB ILE 96 5.987 -0.827 6.420 730 HG12 ILE 96 HG12 ILE 96 4.996 -3.210 6.072 731 HG13 ILE 96 HG13 ILE 96 5.070 -3.310 7.828 732 HG21 ILE 96 HG21 ILE 96 8.168 -1.687 6.101 733 HG22 ILE 96 HG22 ILE 96 7.039 -2.821 5.354 734 HG23 ILE 96 HG23 ILE 96 7.759 -3.193 6.921 735 HD11 ILE 96 HD11 ILE 96 3.562 -1.249 6.233 736 HD12 ILE 96 HD12 ILE 96 3.649 -1.325 7.994 737 HD13 ILE 96 HD13 ILE 96 2.868 -2.625 7.092 738 HA PRO 97 HA PRO 97 10.348 0.167 9.578 739 HB2 PRO 97 HB2 PRO 97 11.869 -2.303 9.517 740 HB3 PRO 97 HB3 PRO 97 11.512 -1.257 10.890 741 HG2 PRO 97 HG2 PRO 97 10.471 -3.769 10.539 742 HG3 PRO 97 HG3 PRO 97 9.723 -2.503 11.528 743 HD2 PRO 97 HD2 PRO 97 9.010 -3.467 8.807 744 HD3 PRO 97 HD3 PRO 97 7.969 -2.836 10.099 745 H ILE 98 H ILE 98 11.568 1.146 8.232 746 HA ILE 98 HA ILE 98 12.144 0.010 5.626 747 HB ILE 98 HB ILE 98 12.475 2.787 6.750 748 HG12 ILE 98 HG12 ILE 98 10.164 2.086 6.301 749 HG13 ILE 98 HG13 ILE 98 10.682 3.351 5.189 750 HG21 ILE 98 HG21 ILE 98 13.022 3.464 4.439 751 HG22 ILE 98 HG22 ILE 98 13.106 1.760 3.992 752 HG23 ILE 98 HG23 ILE 98 14.243 2.421 5.166 753 HD11 ILE 98 HD11 ILE 98 10.726 0.429 4.510 754 HD12 ILE 98 HD12 ILE 98 10.941 1.798 3.417 755 HD13 ILE 98 HD13 ILE 98 9.366 1.500 4.170 756 H HIS 99 H HIS 99 14.040 -0.534 4.938 757 HA HIS 99 HA HIS 99 16.419 -0.004 6.586 758 HB2 HIS 99 HB2 HIS 99 15.885 -2.460 4.929 759 HB3 HIS 99 HB3 HIS 99 17.380 -2.121 5.769 760 HD1 HIS 99 HD1 HIS 99 17.343 -2.326 8.372 761 HD2 HIS 99 HD2 HIS 99 13.841 -3.519 6.472 762 HE1 HIS 99 HE1 HIS 99 16.057 -3.644 10.085 763 HE2 HIS 99 HE2 HIS 99 13.981 -4.425 8.890 764 H GLY 100 H GLY 100 18.420 -0.559 4.906 765 HA2 GLY 100 HA2 GLY 100 18.226 0.026 2.249 766 HA3 GLY 100 HA3 GLY 100 18.194 1.592 3.023 767 H ASP 101 H ASP 101 20.057 -1.174 2.255 768 HA ASP 101 HA ASP 101 22.500 -0.195 3.448 769 HB2 ASP 101 HB2 ASP 101 22.302 -2.571 3.236 770 HB3 ASP 101 HB3 ASP 101 21.889 -2.451 1.530 771 H ASN 102 H ASN 102 21.183 -0.535 0.211 772 HA ASN 102 HA ASN 102 22.712 1.786 -0.659 773 HB2 ASN 102 HB2 ASN 102 22.964 -0.953 -1.749 774 HB3 ASN 102 HB3 ASN 102 22.834 0.336 -2.939 775 HD21 ASN 102 HD21 ASN 102 24.771 -1.041 -0.393 776 HD22 ASN 102 HD22 ASN 102 26.200 -0.118 -0.730 777 HA PRO 103 HA PRO 103 18.597 1.550 -3.000 778 HB2 PRO 103 HB2 PRO 103 17.166 -0.669 -3.208 779 HB3 PRO 103 HB3 PRO 103 18.636 -0.495 -4.177 780 HG2 PRO 103 HG2 PRO 103 18.227 -1.985 -1.618 781 HG3 PRO 103 HG3 PRO 103 19.058 -2.511 -3.096 782 HD2 PRO 103 HD2 PRO 103 20.330 -1.469 -0.908 783 HD3 PRO 103 HD3 PRO 103 20.992 -1.426 -2.544 784 H LEU 104 H LEU 104 16.214 1.508 -2.286 785 HA LEU 104 HA LEU 104 16.047 1.794 0.556 786 HB2 LEU 104 HB2 LEU 104 14.651 3.113 -1.080 787 HB3 LEU 104 HB3 LEU 104 13.780 1.632 -1.412 788 HG LEU 104 HG LEU 104 13.267 1.584 1.105 789 HD11 LEU 104 HD11 LEU 104 13.201 3.788 2.176 790 HD12 LEU 104 HD12 LEU 104 14.072 4.468 0.799 791 HD13 LEU 104 HD13 LEU 104 14.848 3.259 1.823 792 HD21 LEU 104 HD21 LEU 104 12.076 3.347 -0.968 793 HD22 LEU 104 HD22 LEU 104 11.491 3.476 0.691 794 HD23 LEU 104 HD23 LEU 104 11.404 1.929 -0.152 795 H GLU 105 H GLU 105 14.644 0.515 1.916 796 HA GLU 105 HA GLU 105 14.109 -2.170 0.914 797 HB2 GLU 105 HB2 GLU 105 15.777 -1.591 3.359 798 HB3 GLU 105 HB3 GLU 105 15.206 -3.185 2.885 799 HG2 GLU 105 HG2 GLU 105 16.498 -2.921 0.772 800 HG3 GLU 105 HG3 GLU 105 17.163 -1.430 1.423 801 H VAL 106 H VAL 106 12.274 -2.904 1.625 802 HA VAL 106 HA VAL 106 10.957 -1.559 3.876 803 HB VAL 106 HB VAL 106 9.907 -0.526 2.123 804 HG11 VAL 106 HG11 VAL 106 10.506 -2.997 0.569 805 HG12 VAL 106 HG12 VAL 106 10.993 -1.322 0.252 806 HG13 VAL 106 HG13 VAL 106 9.321 -1.832 -0.015 807 HG21 VAL 106 HG21 VAL 106 8.329 -3.085 2.323 808 HG22 VAL 106 HG22 VAL 106 7.740 -1.587 1.607 809 HG23 VAL 106 HG23 VAL 106 8.129 -1.653 3.331 810 H LYS 107 H LYS 107 10.260 -2.968 5.376 811 HA LYS 107 HA LYS 107 10.095 -4.938 6.460 812 HB2 LYS 107 HB2 LYS 107 8.317 -6.474 5.622 813 HB3 LYS 107 HB3 LYS 107 7.823 -4.802 5.778 814 HG2 LYS 107 HG2 LYS 107 8.367 -4.677 3.246 815 HG3 LYS 107 HG3 LYS 107 8.248 -6.427 3.321 816 HD2 LYS 107 HD2 LYS 107 6.102 -4.509 4.211 817 HD3 LYS 107 HD3 LYS 107 6.125 -5.353 2.664 818 HE2 LYS 107 HE2 LYS 107 6.113 -6.720 5.346 819 HE3 LYS 107 HE3 LYS 107 4.667 -6.403 4.392 820 HZ1 LYS 107 HZ1 LYS 107 5.635 -7.751 2.596 821 HZ2 LYS 107 HZ2 LYS 107 5.427 -8.641 4.024 822 HZ3 LYS 107 HZ3 LYS 107 6.968 -8.105 3.587 823 H ASN 108 H ASN 108 9.438 -7.316 4.293 824 HA ASN 108 HA ASN 108 12.213 -8.212 4.319 825 HB2 ASN 108 HB2 ASN 108 11.214 -10.426 3.645 826 HB3 ASN 108 HB3 ASN 108 10.686 -9.831 5.213 827 HD21 ASN 108 HD21 ASN 108 9.405 -11.756 3.459 828 HD22 ASN 108 HD22 ASN 108 7.829 -11.127 3.116 829 H ALA 109 H ALA 109 11.095 -6.160 2.478 830 HA ALA 109 HA ALA 109 11.631 -7.513 -0.081 831 HB1 ALA 109 HB1 ALA 109 9.293 -6.738 0.150 832 HB2 ALA 109 HB2 ALA 109 10.148 -5.935 -1.168 833 HB3 ALA 109 HB3 ALA 109 9.881 -5.083 0.351 834 H THR 110 H THR 110 12.447 -5.979 -1.777 835 HA THR 110 HA THR 110 14.239 -3.977 -0.669 836 HB THR 110 HB THR 110 14.982 -5.876 -2.910 837 HG1 THR 110 HG1 THR 110 14.940 -6.997 -0.904 838 HG21 THR 110 HG21 THR 110 16.088 -3.692 -3.011 839 HG22 THR 110 HG22 THR 110 17.241 -4.957 -2.584 840 HG23 THR 110 HG23 THR 110 16.619 -3.873 -1.339 841 H VAL 111 H VAL 111 14.380 -2.145 -1.885 842 HA VAL 111 HA VAL 111 12.258 -1.861 -3.841 843 HB VAL 111 HB VAL 111 14.122 0.142 -2.604 844 HG11 VAL 111 HG11 VAL 111 11.683 0.589 -4.323 845 HG12 VAL 111 HG12 VAL 111 13.349 0.914 -4.797 846 HG13 VAL 111 HG13 VAL 111 12.604 1.845 -3.496 847 HG21 VAL 111 HG21 VAL 111 12.717 -0.768 -0.963 848 HG22 VAL 111 HG22 VAL 111 11.320 -0.722 -2.038 849 HG23 VAL 111 HG23 VAL 111 12.006 0.778 -1.423 850 H LEU 112 H LEU 112 12.494 -1.865 -5.928 851 HA LEU 112 HA LEU 112 15.130 -2.001 -7.111 852 HB2 LEU 112 HB2 LEU 112 12.360 -2.362 -8.227 853 HB3 LEU 112 HB3 LEU 112 13.801 -2.403 -9.220 854 HG LEU 112 HG LEU 112 14.552 -4.316 -7.645 855 HD11 LEU 112 HD11 LEU 112 13.097 -5.146 -6.161 856 HD12 LEU 112 HD12 LEU 112 11.717 -4.930 -7.254 857 HD13 LEU 112 HD13 LEU 112 12.328 -3.557 -6.315 858 HD21 LEU 112 HD21 LEU 112 13.340 -5.956 -8.990 859 HD22 LEU 112 HD22 LEU 112 13.923 -4.629 -9.994 860 HD23 LEU 112 HD23 LEU 112 12.225 -4.701 -9.528 861 H ALA 113 H ALA 113 12.313 0.074 -6.937 862 HA ALA 113 HA ALA 113 13.780 2.285 -8.037 863 HB1 ALA 113 HB1 ALA 113 11.454 1.167 -9.597 864 HB2 ALA 113 HB2 ALA 113 13.144 1.132 -10.097 865 HB3 ALA 113 HB3 ALA 113 12.301 2.674 -9.946 866 H ALA 114 H ALA 114 13.185 3.869 -6.722 867 HA ALA 114 HA ALA 114 10.328 4.266 -6.259 868 HB1 ALA 114 HB1 ALA 114 10.892 5.002 -3.941 869 HB2 ALA 114 HB2 ALA 114 12.537 4.417 -4.218 870 HB3 ALA 114 HB3 ALA 114 11.185 3.287 -4.232 871 H ASP 115 H ASP 115 10.397 6.590 -4.895 872 HA ASP 115 HA ASP 115 10.439 8.835 -5.262 873 HB2 ASP 115 HB2 ASP 115 12.906 8.636 -5.151 874 HB3 ASP 115 HB3 ASP 115 12.955 8.227 -6.859 875 H ILE 116 H ILE 116 9.167 6.807 -6.923 876 HA ILE 116 HA ILE 116 9.081 7.938 -9.582 877 HB ILE 116 HB ILE 116 7.278 5.809 -8.449 878 HG12 ILE 116 HG12 ILE 116 10.050 5.478 -9.603 879 HG13 ILE 116 HG13 ILE 116 9.531 5.081 -7.982 880 HG21 ILE 116 HG21 ILE 116 8.237 6.364 -11.245 881 HG22 ILE 116 HG22 ILE 116 6.656 6.806 -10.586 882 HG23 ILE 116 HG23 ILE 116 7.099 5.104 -10.763 883 HD11 ILE 116 HD11 ILE 116 8.517 3.738 -10.471 884 HD12 ILE 116 HD12 ILE 116 8.158 3.295 -8.803 885 HD13 ILE 116 HD13 ILE 116 9.795 3.112 -9.430 886 H GLU 117 H GLU 117 7.944 9.812 -9.706 887 HA GLU 117 HA GLU 117 5.892 10.460 -7.875 888 HB2 GLU 117 HB2 GLU 117 6.463 11.730 -10.550 889 HB3 GLU 117 HB3 GLU 117 5.454 12.395 -9.271 890 HG2 GLU 117 HG2 GLU 117 7.478 12.349 -7.787 891 HG3 GLU 117 HG3 GLU 117 8.422 11.943 -9.217 892 H ALA 118 H ALA 118 4.168 9.330 -7.752 893 HA ALA 118 HA ALA 118 2.891 8.114 -10.024 894 HB1 ALA 118 HB1 ALA 118 2.809 6.813 -8.094 895 HB2 ALA 118 HB2 ALA 118 1.173 7.462 -8.252 896 HB3 ALA 118 HB3 ALA 118 2.300 8.170 -7.088 897 H GLU 119 H GLU 119 0.411 8.249 -9.964 898 HA GLU 119 HA GLU 119 -0.544 10.532 -11.041 899 HB2 GLU 119 HB2 GLU 119 -2.813 9.720 -10.067 900 HB3 GLU 119 HB3 GLU 119 -1.944 8.686 -11.192 901 HG2 GLU 119 HG2 GLU 119 -1.067 7.375 -9.336 902 HG3 GLU 119 HG3 GLU 119 -1.900 8.416 -8.183 903 H ASN 120 H ASN 120 -0.784 9.698 -7.593 904 HA ASN 120 HA ASN 120 -1.358 12.533 -7.064 905 HB2 ASN 120 HB2 ASN 120 -2.311 10.096 -5.555 906 HB3 ASN 120 HB3 ASN 120 -2.563 11.754 -5.023 907 HD21 ASN 120 HD21 ASN 120 -3.557 9.259 -7.188 908 HD22 ASN 120 HD22 ASN 120 -4.909 10.094 -7.862 909 H GLY 121 H GLY 121 0.876 10.019 -6.571 910 HA2 GLY 121 HA2 GLY 121 2.281 11.616 -4.593 911 HA3 GLY 121 HA3 GLY 121 1.754 10.050 -4.023 912 H ILE 122 H ILE 122 2.992 8.416 -4.347 913 HA ILE 122 HA ILE 122 5.170 8.524 -6.283 914 HB ILE 122 HB ILE 122 5.455 8.299 -3.306 915 HG12 ILE 122 HG12 ILE 122 5.479 10.536 -4.400 916 HG13 ILE 122 HG13 ILE 122 6.941 10.139 -3.504 917 HG21 ILE 122 HG21 ILE 122 7.855 7.847 -3.678 918 HG22 ILE 122 HG22 ILE 122 7.493 7.571 -5.383 919 HG23 ILE 122 HG23 ILE 122 6.793 6.519 -4.152 920 HD11 ILE 122 HD11 ILE 122 8.239 10.140 -5.342 921 HD12 ILE 122 HD12 ILE 122 6.958 11.186 -5.964 922 HD13 ILE 122 HD13 ILE 122 6.967 9.462 -6.365 923 H ILE 123 H ILE 123 5.862 6.582 -6.982 924 HA ILE 123 HA ILE 123 4.593 4.163 -5.849 925 HB ILE 123 HB ILE 123 5.396 4.846 -8.670 926 HG12 ILE 123 HG12 ILE 123 2.955 3.347 -7.800 927 HG13 ILE 123 HG13 ILE 123 3.037 5.085 -7.554 928 HG21 ILE 123 HG21 ILE 123 5.201 2.533 -9.346 929 HG22 ILE 123 HG22 ILE 123 4.865 2.043 -7.686 930 HG23 ILE 123 HG23 ILE 123 6.458 2.667 -8.111 931 HD11 ILE 123 HD11 ILE 123 3.293 5.454 -9.908 932 HD12 ILE 123 HD12 ILE 123 1.888 4.423 -9.633 933 HD13 ILE 123 HD13 ILE 123 3.401 3.718 -10.207 934 H HIS 124 H HIS 124 5.928 2.312 -5.539 935 HA HIS 124 HA HIS 124 8.770 2.681 -5.944 936 HB2 HIS 124 HB2 HIS 124 9.223 3.349 -3.934 937 HB3 HIS 124 HB3 HIS 124 7.490 3.339 -3.564 938 HD1 HIS 124 HD1 HIS 124 7.486 2.691 -1.232 939 HD2 HIS 124 HD2 HIS 124 9.874 0.192 -3.521 940 HE1 HIS 124 HE1 HIS 124 8.280 0.904 0.336 941 HE2 HIS 124 HE2 HIS 124 9.608 -0.663 -1.106 942 H VAL 125 H VAL 125 9.515 0.975 -6.715 943 HA VAL 125 HA VAL 125 7.939 -1.433 -6.786 944 HB VAL 125 HB VAL 125 10.612 -0.862 -8.080 945 HG11 VAL 125 HG11 VAL 125 10.032 -2.720 -9.578 946 HG12 VAL 125 HG12 VAL 125 8.581 -3.026 -8.624 947 HG13 VAL 125 HG13 VAL 125 10.175 -3.244 -7.901 948 HG21 VAL 125 HG21 VAL 125 9.320 -0.436 -10.120 949 HG22 VAL 125 HG22 VAL 125 8.914 0.707 -8.840 950 HG23 VAL 125 HG23 VAL 125 7.823 -0.630 -9.208 951 H ILE 126 H ILE 126 8.229 -3.205 -5.641 952 HA ILE 126 HA ILE 126 10.823 -3.626 -4.307 953 HB ILE 126 HB ILE 126 9.772 -4.636 -2.419 954 HG12 ILE 126 HG12 ILE 126 7.689 -5.211 -4.094 955 HG13 ILE 126 HG13 ILE 126 7.680 -5.449 -2.352 956 HG21 ILE 126 HG21 ILE 126 8.500 -2.000 -3.117 957 HG22 ILE 126 HG22 ILE 126 9.993 -2.290 -2.203 958 HG23 ILE 126 HG23 ILE 126 8.431 -2.742 -1.508 959 HD11 ILE 126 HD11 ILE 126 6.705 -2.960 -3.739 960 HD12 ILE 126 HD12 ILE 126 6.616 -3.325 -2.009 961 HD13 ILE 126 HD13 ILE 126 5.676 -4.277 -3.162 962 H ASP 127 H ASP 127 11.236 -5.890 -3.866 963 HA ASP 127 HA ASP 127 10.530 -7.452 -6.225 964 HB2 ASP 127 HB2 ASP 127 12.650 -8.320 -6.081 965 HB3 ASP 127 HB3 ASP 127 12.935 -6.792 -5.288 966 H THR 128 H THR 128 9.324 -7.117 -3.322 967 HA THR 128 HA THR 128 8.533 -9.872 -2.950 968 HB THR 128 HB THR 128 10.239 -8.386 -0.945 969 HG1 THR 128 HG1 THR 128 11.592 -9.502 -2.214 970 HG21 THR 128 HG21 THR 128 8.481 -9.362 0.313 971 HG22 THR 128 HG22 THR 128 9.906 -10.385 0.516 972 HG23 THR 128 HG23 THR 128 8.609 -10.884 -0.572 973 H VAL 129 H VAL 129 6.398 -9.759 -2.361 974 HA VAL 129 HA VAL 129 5.308 -7.310 -1.374 975 HB VAL 129 HB VAL 129 4.065 -10.050 -1.719 976 HG11 VAL 129 HG11 VAL 129 3.012 -8.842 0.104 977 HG12 VAL 129 HG12 VAL 129 1.943 -8.946 -1.290 978 HG13 VAL 129 HG13 VAL 129 2.789 -7.441 -0.939 979 HG21 VAL 129 HG21 VAL 129 3.722 -7.467 -3.247 980 HG22 VAL 129 HG22 VAL 129 2.888 -8.985 -3.579 981 HG23 VAL 129 HG23 VAL 129 4.636 -8.870 -3.799 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -21.707 11.570 -9.010 2 H2 MET 1 H2 MET 1 -22.134 11.591 -7.376 3 H3 MET 1 H3 MET 1 -21.251 10.296 -7.997 4 HA MET 1 HA MET 1 -19.376 11.704 -8.432 5 HB2 MET 1 HB2 MET 1 -21.083 13.858 -7.166 6 HB3 MET 1 HB3 MET 1 -19.377 14.021 -7.548 7 HG2 MET 1 HG2 MET 1 -21.610 13.592 -9.514 8 HG3 MET 1 HG3 MET 1 -20.742 15.097 -9.225 9 HE1 MET 1 HE1 MET 1 -21.110 13.828 -12.125 10 HE2 MET 1 HE2 MET 1 -19.493 14.074 -12.783 11 HE3 MET 1 HE3 MET 1 -20.247 15.332 -11.805 12 H ALA 2 H ALA 2 -18.829 9.987 -7.013 13 HA ALA 2 HA ALA 2 -18.337 10.934 -4.298 14 HB1 ALA 2 HB1 ALA 2 -20.411 9.663 -4.107 15 HB2 ALA 2 HB2 ALA 2 -19.087 8.811 -3.311 16 HB3 ALA 2 HB3 ALA 2 -19.651 8.281 -4.896 17 H THR 3 H THR 3 -16.516 10.007 -3.346 18 HA THR 3 HA THR 3 -14.437 9.168 -5.030 19 HB THR 3 HB THR 3 -14.639 8.633 -2.061 20 HG1 THR 3 HG1 THR 3 -13.985 11.024 -3.473 21 HG21 THR 3 HG21 THR 3 -12.702 7.664 -3.300 22 HG22 THR 3 HG22 THR 3 -12.247 8.833 -2.061 23 HG23 THR 3 HG23 THR 3 -12.236 9.303 -3.762 24 H ILE 4 H ILE 4 -13.513 7.154 -5.405 25 HA ILE 4 HA ILE 4 -15.249 5.017 -5.772 26 HB ILE 4 HB ILE 4 -13.068 3.637 -6.019 27 HG12 ILE 4 HG12 ILE 4 -11.132 5.173 -6.637 28 HG13 ILE 4 HG13 ILE 4 -11.984 6.449 -5.781 29 HG21 ILE 4 HG21 ILE 4 -12.721 4.598 -8.257 30 HG22 ILE 4 HG22 ILE 4 -13.717 5.979 -7.796 31 HG23 ILE 4 HG23 ILE 4 -14.426 4.366 -7.868 32 HD11 ILE 4 HD11 ILE 4 -11.043 3.862 -4.567 33 HD12 ILE 4 HD12 ILE 4 -11.838 5.189 -3.717 34 HD13 ILE 4 HD13 ILE 4 -10.239 5.425 -4.422 35 H VAL 5 H VAL 5 -13.518 5.860 -2.933 36 HA VAL 5 HA VAL 5 -13.894 3.245 -1.741 37 HB VAL 5 HB VAL 5 -11.870 4.270 -1.059 38 HG11 VAL 5 HG11 VAL 5 -13.478 6.719 -0.429 39 HG12 VAL 5 HG12 VAL 5 -12.240 6.544 -1.680 40 HG13 VAL 5 HG13 VAL 5 -11.785 6.494 0.026 41 HG21 VAL 5 HG21 VAL 5 -12.959 3.149 0.723 42 HG22 VAL 5 HG22 VAL 5 -13.942 4.573 1.059 43 HG23 VAL 5 HG23 VAL 5 -12.207 4.611 1.364 44 H ASP 6 H ASP 6 -15.173 6.491 -1.583 45 HA ASP 6 HA ASP 6 -16.855 6.302 0.611 46 HB2 ASP 6 HB2 ASP 6 -16.409 8.395 -0.623 47 HB3 ASP 6 HB3 ASP 6 -17.353 7.797 -1.970 48 H ILE 7 H ILE 7 -17.515 5.755 -2.794 49 HA ILE 7 HA ILE 7 -20.136 4.929 -2.674 50 HB ILE 7 HB ILE 7 -18.047 3.836 -4.556 51 HG12 ILE 7 HG12 ILE 7 -19.839 6.183 -5.084 52 HG13 ILE 7 HG13 ILE 7 -18.311 6.407 -4.236 53 HG21 ILE 7 HG21 ILE 7 -20.103 2.603 -4.722 54 HG22 ILE 7 HG22 ILE 7 -20.006 3.693 -6.106 55 HG23 ILE 7 HG23 ILE 7 -21.048 4.091 -4.736 56 HD11 ILE 7 HD11 ILE 7 -18.163 6.837 -6.653 57 HD12 ILE 7 HD12 ILE 7 -18.577 5.147 -6.951 58 HD13 ILE 7 HD13 ILE 7 -17.087 5.557 -6.097 59 H ALA 8 H ALA 8 -17.337 3.154 -1.601 60 HA ALA 8 HA ALA 8 -18.304 0.535 -1.824 61 HB1 ALA 8 HB1 ALA 8 -16.740 -0.034 -0.027 62 HB2 ALA 8 HB2 ALA 8 -16.517 1.682 0.320 63 HB3 ALA 8 HB3 ALA 8 -15.992 1.019 -1.228 64 H VAL 9 H VAL 9 -18.844 3.000 0.657 65 HA VAL 9 HA VAL 9 -20.499 1.326 2.295 66 HB VAL 9 HB VAL 9 -20.439 4.349 2.194 67 HG11 VAL 9 HG11 VAL 9 -21.226 4.209 4.507 68 HG12 VAL 9 HG12 VAL 9 -21.285 2.451 4.381 69 HG13 VAL 9 HG13 VAL 9 -22.357 3.444 3.392 70 HG21 VAL 9 HG21 VAL 9 -18.193 3.489 2.549 71 HG22 VAL 9 HG22 VAL 9 -18.775 2.465 3.861 72 HG23 VAL 9 HG23 VAL 9 -18.816 4.220 4.027 73 H ASN 10 H ASN 10 -20.934 3.118 -0.570 74 HA ASN 10 HA ASN 10 -23.791 3.539 -0.269 75 HB2 ASN 10 HB2 ASN 10 -22.330 5.238 -1.324 76 HB3 ASN 10 HB3 ASN 10 -21.910 4.087 -2.573 77 HD21 ASN 10 HD21 ASN 10 -22.605 5.484 -4.124 78 HD22 ASN 10 HD22 ASN 10 -24.276 5.745 -4.445 79 H THR 11 H THR 11 -21.658 1.223 -1.705 80 HA THR 11 HA THR 11 -23.118 0.497 -3.960 81 HB THR 11 HB THR 11 -21.881 -1.727 -3.699 82 HG1 THR 11 HG1 THR 11 -21.482 -1.111 -1.354 83 HG21 THR 11 HG21 THR 11 -20.335 0.851 -3.912 84 HG22 THR 11 HG22 THR 11 -21.215 0.067 -5.225 85 HG23 THR 11 HG23 THR 11 -19.808 -0.722 -4.510 86 HA PRO 12 HA PRO 12 -26.303 -2.079 -2.208 87 HB2 PRO 12 HB2 PRO 12 -27.116 -2.722 -4.898 88 HB3 PRO 12 HB3 PRO 12 -27.910 -1.649 -3.751 89 HG2 PRO 12 HG2 PRO 12 -26.722 -0.789 -6.053 90 HG3 PRO 12 HG3 PRO 12 -26.910 0.217 -4.608 91 HD2 PRO 12 HD2 PRO 12 -24.528 -1.328 -5.546 92 HD3 PRO 12 HD3 PRO 12 -24.614 0.319 -4.892 93 H GLY 13 H GLY 13 -24.160 -3.401 -1.830 94 HA2 GLY 13 HA2 GLY 13 -23.542 -5.619 -1.590 95 HA3 GLY 13 HA3 GLY 13 -24.869 -6.062 -2.655 96 H PHE 14 H PHE 14 -22.086 -3.937 -3.192 97 HA PHE 14 HA PHE 14 -21.515 -5.010 -5.755 98 HB2 PHE 14 HB2 PHE 14 -20.693 -2.792 -4.383 99 HB3 PHE 14 HB3 PHE 14 -19.242 -3.784 -4.341 100 HD1 PHE 14 HD1 PHE 14 -21.797 -2.431 -6.683 101 HD2 PHE 14 HD2 PHE 14 -17.802 -3.795 -6.155 102 HE1 PHE 14 HE1 PHE 14 -21.253 -1.709 -8.970 103 HE2 PHE 14 HE2 PHE 14 -17.250 -3.074 -8.440 104 HZ PHE 14 HZ PHE 14 -18.976 -2.030 -9.850 105 H SER 15 H SER 15 -18.915 -5.501 -5.987 106 HA SER 15 HA SER 15 -18.496 -8.127 -5.146 107 HB2 SER 15 HB2 SER 15 -16.404 -6.086 -5.927 108 HB3 SER 15 HB3 SER 15 -16.259 -7.840 -6.033 109 HG SER 15 HG SER 15 -17.066 -7.642 -7.952 110 H THR 16 H THR 16 -16.810 -8.931 -3.719 111 HA THR 16 HA THR 16 -17.107 -7.966 -1.112 112 HB THR 16 HB THR 16 -14.818 -9.722 -1.981 113 HG1 THR 16 HG1 THR 16 -17.569 -10.433 -1.652 114 HG21 THR 16 HG21 THR 16 -15.204 -10.802 0.179 115 HG22 THR 16 HG22 THR 16 -16.558 -9.716 0.489 116 HG23 THR 16 HG23 THR 16 -14.918 -9.075 0.387 117 H LEU 17 H LEU 17 -14.944 -7.038 -3.588 118 HA LEU 17 HA LEU 17 -12.748 -6.108 -2.151 119 HB2 LEU 17 HB2 LEU 17 -13.992 -5.075 -4.695 120 HB3 LEU 17 HB3 LEU 17 -12.488 -4.457 -4.048 121 HG LEU 17 HG LEU 17 -11.905 -5.974 -5.758 122 HD11 LEU 17 HD11 LEU 17 -10.561 -6.163 -3.724 123 HD12 LEU 17 HD12 LEU 17 -10.646 -7.687 -4.607 124 HD13 LEU 17 HD13 LEU 17 -11.616 -7.457 -3.153 125 HD21 LEU 17 HD21 LEU 17 -13.710 -8.014 -4.469 126 HD22 LEU 17 HD22 LEU 17 -12.711 -8.257 -5.901 127 HD23 LEU 17 HD23 LEU 17 -14.056 -7.120 -5.948 128 H VAL 18 H VAL 18 -15.974 -4.736 -2.500 129 HA VAL 18 HA VAL 18 -15.117 -2.129 -1.571 130 HB VAL 18 HB VAL 18 -17.358 -1.420 -1.695 131 HG11 VAL 18 HG11 VAL 18 -16.338 -1.824 -3.852 132 HG12 VAL 18 HG12 VAL 18 -18.074 -2.126 -3.918 133 HG13 VAL 18 HG13 VAL 18 -16.945 -3.480 -3.842 134 HG21 VAL 18 HG21 VAL 18 -19.286 -2.917 -1.921 135 HG22 VAL 18 HG22 VAL 18 -18.417 -3.206 -0.404 136 HG23 VAL 18 HG23 VAL 18 -18.217 -4.314 -1.770 137 H THR 19 H THR 19 -16.375 -5.063 -0.237 138 HA THR 19 HA THR 19 -16.949 -3.846 2.298 139 HB THR 19 HB THR 19 -16.800 -6.801 1.896 140 HG1 THR 19 HG1 THR 19 -18.837 -6.740 0.969 141 HG21 THR 19 HG21 THR 19 -18.698 -6.704 3.511 142 HG22 THR 19 HG22 THR 19 -18.494 -4.950 3.586 143 HG23 THR 19 HG23 THR 19 -17.206 -6.017 4.150 144 H ALA 20 H ALA 20 -14.335 -5.592 0.832 145 HA ALA 20 HA ALA 20 -12.964 -6.343 3.164 146 HB1 ALA 20 HB1 ALA 20 -12.521 -7.205 0.900 147 HB2 ALA 20 HB2 ALA 20 -11.074 -6.699 1.771 148 HB3 ALA 20 HB3 ALA 20 -11.757 -5.667 0.514 149 H VAL 21 H VAL 21 -12.995 -3.270 1.422 150 HA VAL 21 HA VAL 21 -11.093 -2.116 3.274 151 HB VAL 21 HB VAL 21 -11.003 -1.000 1.232 152 HG11 VAL 21 HG11 VAL 21 -12.961 -0.131 0.026 153 HG12 VAL 21 HG12 VAL 21 -14.018 -0.833 1.250 154 HG13 VAL 21 HG13 VAL 21 -13.037 -1.881 0.225 155 HG21 VAL 21 HG21 VAL 21 -12.793 0.596 3.053 156 HG22 VAL 21 HG22 VAL 21 -11.924 1.269 1.667 157 HG23 VAL 21 HG23 VAL 21 -11.024 0.593 3.029 158 H LYS 22 H LYS 22 -14.597 -2.238 2.918 159 HA LYS 22 HA LYS 22 -15.276 -0.370 4.880 160 HB2 LYS 22 HB2 LYS 22 -16.650 -2.618 3.527 161 HB3 LYS 22 HB3 LYS 22 -17.382 -2.040 4.997 162 HG2 LYS 22 HG2 LYS 22 -17.425 0.204 4.006 163 HG3 LYS 22 HG3 LYS 22 -16.812 -0.456 2.510 164 HD2 LYS 22 HD2 LYS 22 -19.375 -1.297 3.830 165 HD3 LYS 22 HD3 LYS 22 -19.246 -0.108 2.540 166 HE2 LYS 22 HE2 LYS 22 -18.234 -1.830 1.098 167 HE3 LYS 22 HE3 LYS 22 -18.483 -3.002 2.375 168 HZ1 LYS 22 HZ1 LYS 22 -20.871 -2.574 2.234 169 HZ2 LYS 22 HZ2 LYS 22 -20.251 -3.142 0.769 170 HZ3 LYS 22 HZ3 LYS 22 -20.602 -1.500 0.958 171 H VAL 23 H VAL 23 -14.649 -3.816 5.049 172 HA VAL 23 HA VAL 23 -15.330 -4.058 7.830 173 HB VAL 23 HB VAL 23 -15.519 -5.982 6.317 174 HG11 VAL 23 HG11 VAL 23 -12.506 -5.867 6.149 175 HG12 VAL 23 HG12 VAL 23 -13.633 -5.469 4.846 176 HG13 VAL 23 HG13 VAL 23 -13.544 -7.125 5.466 177 HG21 VAL 23 HG21 VAL 23 -14.457 -7.627 7.756 178 HG22 VAL 23 HG22 VAL 23 -15.159 -6.319 8.714 179 HG23 VAL 23 HG23 VAL 23 -13.418 -6.372 8.434 180 H ALA 24 H ALA 24 -12.454 -3.610 5.927 181 HA ALA 24 HA ALA 24 -10.588 -3.860 8.058 182 HB1 ALA 24 HB1 ALA 24 -8.967 -3.072 6.523 183 HB2 ALA 24 HB2 ALA 24 -10.214 -2.419 5.465 184 HB3 ALA 24 HB3 ALA 24 -10.052 -4.165 5.660 185 H ASN 25 H ASN 25 -12.843 -1.561 7.324 186 HA ASN 25 HA ASN 25 -13.373 0.457 8.053 187 HB2 ASN 25 HB2 ASN 25 -12.784 1.050 10.177 188 HB3 ASN 25 HB3 ASN 25 -12.405 -0.660 10.157 189 HD21 ASN 25 HD21 ASN 25 -10.832 2.508 9.717 190 HD22 ASN 25 HD22 ASN 25 -9.326 2.018 10.414 191 H LEU 26 H LEU 26 -11.044 0.026 6.041 192 HA LEU 26 HA LEU 26 -9.743 2.605 6.247 193 HB2 LEU 26 HB2 LEU 26 -9.406 0.260 4.456 194 HB3 LEU 26 HB3 LEU 26 -8.871 1.834 3.886 195 HG LEU 26 HG LEU 26 -7.490 2.038 5.966 196 HD11 LEU 26 HD11 LEU 26 -6.955 -0.149 7.072 197 HD12 LEU 26 HD12 LEU 26 -8.394 -0.800 6.290 198 HD13 LEU 26 HD13 LEU 26 -8.538 0.536 7.436 199 HD21 LEU 26 HD21 LEU 26 -6.446 1.452 3.886 200 HD22 LEU 26 HD22 LEU 26 -6.923 -0.239 4.077 201 HD23 LEU 26 HD23 LEU 26 -5.740 0.478 5.177 202 H VAL 27 H VAL 27 -12.697 1.880 5.468 203 HA VAL 27 HA VAL 27 -13.212 3.050 2.997 204 HB VAL 27 HB VAL 27 -14.740 2.232 5.280 205 HG11 VAL 27 HG11 VAL 27 -16.646 3.764 5.076 206 HG12 VAL 27 HG12 VAL 27 -15.690 4.790 4.005 207 HG13 VAL 27 HG13 VAL 27 -15.200 4.574 5.689 208 HG21 VAL 27 HG21 VAL 27 -16.500 1.968 3.510 209 HG22 VAL 27 HG22 VAL 27 -14.967 1.166 3.158 210 HG23 VAL 27 HG23 VAL 27 -15.370 2.703 2.372 211 H GLU 28 H GLU 28 -12.751 4.509 6.161 212 HA GLU 28 HA GLU 28 -13.079 7.184 5.101 213 HB2 GLU 28 HB2 GLU 28 -12.196 7.766 7.473 214 HB3 GLU 28 HB3 GLU 28 -13.810 7.094 7.278 215 HG2 GLU 28 HG2 GLU 28 -13.085 4.939 7.965 216 HG3 GLU 28 HG3 GLU 28 -11.391 5.436 7.929 217 H ALA 29 H ALA 29 -10.508 4.956 5.466 218 HA ALA 29 HA ALA 29 -8.415 6.854 5.723 219 HB1 ALA 29 HB1 ALA 29 -6.911 5.008 5.577 220 HB2 ALA 29 HB2 ALA 29 -8.156 3.981 4.870 221 HB3 ALA 29 HB3 ALA 29 -8.292 4.504 6.550 222 H LEU 30 H LEU 30 -9.409 4.709 3.067 223 HA LEU 30 HA LEU 30 -7.629 5.595 1.127 224 HB2 LEU 30 HB2 LEU 30 -10.423 4.691 0.536 225 HB3 LEU 30 HB3 LEU 30 -9.014 4.557 -0.492 226 HG LEU 30 HG LEU 30 -9.578 3.013 2.025 227 HD11 LEU 30 HD11 LEU 30 -9.256 2.179 -0.844 228 HD12 LEU 30 HD12 LEU 30 -10.780 2.290 0.036 229 HD13 LEU 30 HD13 LEU 30 -9.567 1.103 0.518 230 HD21 LEU 30 HD21 LEU 30 -7.484 1.827 1.574 231 HD22 LEU 30 HD22 LEU 30 -7.219 3.527 1.965 232 HD23 LEU 30 HD23 LEU 30 -7.118 2.981 0.291 233 H GLN 31 H GLN 31 -10.237 7.291 2.437 234 HA GLN 31 HA GLN 31 -11.189 8.752 0.213 235 HB2 GLN 31 HB2 GLN 31 -11.199 9.590 3.109 236 HB3 GLN 31 HB3 GLN 31 -12.242 10.201 1.831 237 HG2 GLN 31 HG2 GLN 31 -12.245 7.298 2.369 238 HG3 GLN 31 HG3 GLN 31 -13.020 8.361 3.525 239 HE21 GLN 31 HE21 GLN 31 -13.963 6.310 1.594 240 HE22 GLN 31 HE22 GLN 31 -15.274 7.099 0.793 241 H SER 32 H SER 32 -8.206 8.840 1.617 242 HA SER 32 HA SER 32 -7.489 11.461 2.025 243 HB2 SER 32 HB2 SER 32 -5.174 10.631 1.318 244 HB3 SER 32 HB3 SER 32 -5.969 9.757 2.627 245 HG SER 32 HG SER 32 -6.212 8.952 -0.072 246 HA PRO 33 HA PRO 33 -7.929 12.958 -2.209 247 HB2 PRO 33 HB2 PRO 33 -8.065 15.557 -1.585 248 HB3 PRO 33 HB3 PRO 33 -9.428 14.464 -1.317 249 HG2 PRO 33 HG2 PRO 33 -7.452 15.559 0.630 250 HG3 PRO 33 HG3 PRO 33 -9.186 15.266 0.837 251 HD2 PRO 33 HD2 PRO 33 -7.172 13.598 1.742 252 HD3 PRO 33 HD3 PRO 33 -8.853 13.105 1.468 253 H GLY 34 H GLY 34 -5.465 13.619 0.095 254 HA2 GLY 34 HA2 GLY 34 -3.950 15.462 -1.483 255 HA3 GLY 34 HA3 GLY 34 -3.417 14.668 -0.011 256 HA PRO 35 HA PRO 35 -0.842 12.870 -3.238 257 HB2 PRO 35 HB2 PRO 35 1.268 12.297 -1.613 258 HB3 PRO 35 HB3 PRO 35 1.014 13.852 -2.404 259 HG2 PRO 35 HG2 PRO 35 0.670 13.095 0.409 260 HG3 PRO 35 HG3 PRO 35 0.972 14.684 -0.296 261 HD2 PRO 35 HD2 PRO 35 -1.490 13.700 0.660 262 HD3 PRO 35 HD3 PRO 35 -1.229 15.180 -0.277 263 H PHE 36 H PHE 36 0.254 10.778 -3.485 264 HA PHE 36 HA PHE 36 -1.038 8.673 -1.934 265 HB2 PHE 36 HB2 PHE 36 -2.527 8.381 -3.603 266 HB3 PHE 36 HB3 PHE 36 -1.679 9.503 -4.651 267 HD1 PHE 36 HD1 PHE 36 0.044 8.666 -6.218 268 HD2 PHE 36 HD2 PHE 36 -2.338 6.034 -3.887 269 HE1 PHE 36 HE1 PHE 36 0.635 6.803 -7.713 270 HE2 PHE 36 HE2 PHE 36 -1.742 4.166 -5.363 271 HZ PHE 36 HZ PHE 36 -0.252 4.552 -7.283 272 H THR 37 H THR 37 0.408 7.221 -1.335 273 HA THR 37 HA THR 37 2.790 6.853 -3.011 274 HB THR 37 HB THR 37 2.499 6.641 -0.001 275 HG1 THR 37 HG1 THR 37 3.271 8.598 -0.097 276 HG21 THR 37 HG21 THR 37 4.859 6.039 0.047 277 HG22 THR 37 HG22 THR 37 4.917 6.036 -1.717 278 HG23 THR 37 HG23 THR 37 3.939 4.840 -0.860 279 H VAL 38 H VAL 38 3.341 4.810 -3.607 280 HA VAL 38 HA VAL 38 1.623 2.641 -2.618 281 HB VAL 38 HB VAL 38 0.855 3.613 -4.852 282 HG11 VAL 38 HG11 VAL 38 2.029 3.050 -6.831 283 HG12 VAL 38 HG12 VAL 38 3.207 2.094 -5.931 284 HG13 VAL 38 HG13 VAL 38 3.166 3.846 -5.742 285 HG21 VAL 38 HG21 VAL 38 1.559 0.686 -4.702 286 HG22 VAL 38 HG22 VAL 38 0.379 1.400 -5.800 287 HG23 VAL 38 HG23 VAL 38 0.103 1.446 -4.059 288 H PHE 39 H PHE 39 2.473 0.553 -2.821 289 HA PHE 39 HA PHE 39 5.343 0.379 -3.444 290 HB2 PHE 39 HB2 PHE 39 3.645 -1.428 -1.693 291 HB3 PHE 39 HB3 PHE 39 5.355 -1.660 -2.033 292 HD1 PHE 39 HD1 PHE 39 7.029 -0.149 -1.095 293 HD2 PHE 39 HD2 PHE 39 2.906 0.200 -0.106 294 HE1 PHE 39 HE1 PHE 39 7.616 1.246 0.845 295 HE2 PHE 39 HE2 PHE 39 3.485 1.597 1.835 296 HZ PHE 39 HZ PHE 39 5.844 2.122 2.312 297 H ALA 40 H ALA 40 5.651 -0.418 -5.429 298 HA ALA 40 HA ALA 40 3.491 -1.992 -6.644 299 HB1 ALA 40 HB1 ALA 40 4.178 0.056 -7.802 300 HB2 ALA 40 HB2 ALA 40 4.463 -1.381 -8.784 301 HB3 ALA 40 HB3 ALA 40 5.811 -0.590 -7.966 302 HA PRO 41 HA PRO 41 6.283 -5.488 -6.202 303 HB2 PRO 41 HB2 PRO 41 4.447 -7.387 -6.723 304 HB3 PRO 41 HB3 PRO 41 4.505 -6.542 -5.172 305 HG2 PRO 41 HG2 PRO 41 2.692 -6.104 -7.505 306 HG3 PRO 41 HG3 PRO 41 2.316 -6.087 -5.772 307 HD2 PRO 41 HD2 PRO 41 2.707 -3.832 -7.287 308 HD3 PRO 41 HD3 PRO 41 2.962 -3.911 -5.534 309 H ASN 42 H ASN 42 7.623 -6.254 -7.754 310 HA ASN 42 HA ASN 42 6.846 -5.927 -10.530 311 HB2 ASN 42 HB2 ASN 42 9.089 -6.152 -11.107 312 HB3 ASN 42 HB3 ASN 42 9.199 -5.457 -9.515 313 HD21 ASN 42 HD21 ASN 42 9.951 -6.657 -7.842 314 HD22 ASN 42 HD22 ASN 42 10.821 -8.125 -8.107 315 H ASP 43 H ASP 43 8.025 -7.926 -11.892 316 HA ASP 43 HA ASP 43 6.061 -9.929 -11.824 317 HB2 ASP 43 HB2 ASP 43 8.784 -9.899 -13.128 318 HB3 ASP 43 HB3 ASP 43 7.602 -11.180 -13.377 319 H ASP 44 H ASP 44 9.054 -9.651 -10.100 320 HA ASP 44 HA ASP 44 9.263 -12.489 -9.555 321 HB2 ASP 44 HB2 ASP 44 11.276 -11.053 -9.821 322 HB3 ASP 44 HB3 ASP 44 10.805 -10.197 -8.362 323 H ALA 45 H ALA 45 7.886 -9.677 -8.239 324 HA ALA 45 HA ALA 45 7.481 -10.708 -5.587 325 HB1 ALA 45 HB1 ALA 45 7.713 -8.314 -6.052 326 HB2 ALA 45 HB2 ALA 45 6.201 -8.703 -5.233 327 HB3 ALA 45 HB3 ALA 45 6.207 -8.364 -6.967 328 H PHE 46 H PHE 46 5.644 -10.311 -8.556 329 HA PHE 46 HA PHE 46 3.203 -11.436 -7.785 330 HB2 PHE 46 HB2 PHE 46 3.764 -10.335 -9.977 331 HB3 PHE 46 HB3 PHE 46 4.626 -11.791 -10.434 332 HD1 PHE 46 HD1 PHE 46 1.292 -10.432 -9.621 333 HD2 PHE 46 HD2 PHE 46 3.494 -13.667 -11.288 334 HE1 PHE 46 HE1 PHE 46 -0.789 -11.380 -10.526 335 HE2 PHE 46 HE2 PHE 46 1.416 -14.619 -12.195 336 HZ PHE 46 HZ PHE 46 -0.728 -13.475 -11.814 337 H ALA 47 H ALA 47 6.295 -12.739 -8.253 338 HA ALA 47 HA ALA 47 5.478 -15.504 -8.506 339 HB1 ALA 47 HB1 ALA 47 7.363 -14.785 -9.791 340 HB2 ALA 47 HB2 ALA 47 7.924 -15.919 -8.562 341 HB3 ALA 47 HB3 ALA 47 8.176 -14.183 -8.349 342 H LYS 48 H LYS 48 5.984 -13.310 -6.024 343 HA LYS 48 HA LYS 48 6.854 -15.219 -4.009 344 HB2 LYS 48 HB2 LYS 48 5.833 -12.424 -3.604 345 HB3 LYS 48 HB3 LYS 48 6.774 -13.410 -2.495 346 HG2 LYS 48 HG2 LYS 48 7.788 -12.504 -5.155 347 HG3 LYS 48 HG3 LYS 48 8.042 -11.624 -3.654 348 HD2 LYS 48 HD2 LYS 48 8.872 -14.470 -4.136 349 HD3 LYS 48 HD3 LYS 48 9.940 -13.069 -4.286 350 HE2 LYS 48 HE2 LYS 48 9.597 -12.534 -1.933 351 HE3 LYS 48 HE3 LYS 48 8.487 -13.894 -1.773 352 HZ1 LYS 48 HZ1 LYS 48 10.710 -14.407 -0.950 353 HZ2 LYS 48 HZ2 LYS 48 11.358 -14.121 -2.484 354 HZ3 LYS 48 HZ3 LYS 48 10.285 -15.402 -2.248 355 H LEU 49 H LEU 49 4.015 -13.848 -5.300 356 HA LEU 49 HA LEU 49 2.106 -13.938 -3.412 357 HB2 LEU 49 HB2 LEU 49 2.004 -14.768 -6.281 358 HB3 LEU 49 HB3 LEU 49 0.565 -14.667 -5.289 359 HG LEU 49 HG LEU 49 2.461 -12.410 -5.930 360 HD11 LEU 49 HD11 LEU 49 0.972 -12.997 -7.764 361 HD12 LEU 49 HD12 LEU 49 0.584 -11.420 -7.073 362 HD13 LEU 49 HD13 LEU 49 -0.416 -12.824 -6.688 363 HD21 LEU 49 HD21 LEU 49 1.721 -12.090 -3.709 364 HD22 LEU 49 HD22 LEU 49 0.061 -12.517 -4.129 365 HD23 LEU 49 HD23 LEU 49 0.768 -11.018 -4.735 366 HA PRO 50 HA PRO 50 1.685 -18.959 -4.098 367 HB2 PRO 50 HB2 PRO 50 4.678 -19.010 -3.901 368 HB3 PRO 50 HB3 PRO 50 3.582 -20.212 -4.595 369 HG2 PRO 50 HG2 PRO 50 4.897 -18.496 -6.158 370 HG3 PRO 50 HG3 PRO 50 3.229 -18.973 -6.521 371 HD2 PRO 50 HD2 PRO 50 4.273 -16.390 -5.517 372 HD3 PRO 50 HD3 PRO 50 2.769 -16.741 -6.398 373 H ASP 51 H ASP 51 4.192 -17.183 -2.276 374 HA ASP 51 HA ASP 51 3.751 -18.690 0.139 375 HB2 ASP 51 HB2 ASP 51 5.379 -16.274 -0.580 376 HB3 ASP 51 HB3 ASP 51 5.089 -16.654 1.113 377 H GLY 52 H GLY 52 3.413 -15.175 -0.423 378 HA2 GLY 52 HA2 GLY 52 1.311 -14.061 -0.306 379 HA3 GLY 52 HA3 GLY 52 0.705 -15.367 0.693 380 H THR 53 H THR 53 3.059 -12.718 0.707 381 HA THR 53 HA THR 53 3.214 -12.392 3.509 382 HB THR 53 HB THR 53 3.476 -10.362 1.299 383 HG1 THR 53 HG1 THR 53 5.349 -11.241 0.985 384 HG21 THR 53 HG21 THR 53 3.119 -9.137 3.301 385 HG22 THR 53 HG22 THR 53 4.858 -9.101 2.991 386 HG23 THR 53 HG23 THR 53 4.205 -10.189 4.216 387 H ILE 54 H ILE 54 1.305 -10.738 1.033 388 HA ILE 54 HA ILE 54 -0.138 -9.068 2.706 389 HB ILE 54 HB ILE 54 -0.326 -9.953 -0.078 390 HG12 ILE 54 HG12 ILE 54 -0.650 -7.507 -0.403 391 HG13 ILE 54 HG13 ILE 54 -0.686 -7.306 1.347 392 HG21 ILE 54 HG21 ILE 54 -2.568 -9.010 -0.451 393 HG22 ILE 54 HG22 ILE 54 -2.793 -8.904 1.294 394 HG23 ILE 54 HG23 ILE 54 -2.600 -10.478 0.526 395 HD11 ILE 54 HD11 ILE 54 1.609 -8.188 1.469 396 HD12 ILE 54 HD12 ILE 54 1.481 -6.719 0.497 397 HD13 ILE 54 HD13 ILE 54 1.635 -8.288 -0.294 398 H THR 55 H THR 55 -0.520 -12.415 2.020 399 HA THR 55 HA THR 55 -3.157 -12.771 2.933 400 HB THR 55 HB THR 55 -0.869 -14.709 2.978 401 HG1 THR 55 HG1 THR 55 -1.850 -15.454 1.025 402 HG21 THR 55 HG21 THR 55 -3.830 -15.250 3.133 403 HG22 THR 55 HG22 THR 55 -2.736 -15.280 4.515 404 HG23 THR 55 HG23 THR 55 -2.533 -16.447 3.201 405 H SER 56 H SER 56 -0.077 -12.566 4.594 406 HA SER 56 HA SER 56 -1.209 -13.240 7.143 407 HB2 SER 56 HB2 SER 56 1.131 -13.780 6.733 408 HB3 SER 56 HB3 SER 56 1.488 -12.093 6.378 409 HG SER 56 HG SER 56 0.601 -13.127 8.873 410 H LEU 57 H LEU 57 -0.703 -10.515 5.201 411 HA LEU 57 HA LEU 57 -0.889 -8.520 7.223 412 HB2 LEU 57 HB2 LEU 57 -0.752 -8.581 4.313 413 HB3 LEU 57 HB3 LEU 57 -1.470 -7.155 5.015 414 HG LEU 57 HG LEU 57 0.554 -6.703 6.262 415 HD11 LEU 57 HD11 LEU 57 2.578 -8.063 5.946 416 HD12 LEU 57 HD12 LEU 57 1.625 -9.238 5.038 417 HD13 LEU 57 HD13 LEU 57 1.282 -8.954 6.744 418 HD21 LEU 57 HD21 LEU 57 2.044 -6.165 4.446 419 HD22 LEU 57 HD22 LEU 57 0.378 -5.908 3.919 420 HD23 LEU 57 HD23 LEU 57 1.260 -7.351 3.404 421 H VAL 58 H VAL 58 -3.178 -10.274 5.247 422 HA VAL 58 HA VAL 58 -5.384 -8.562 5.927 423 HB VAL 58 HB VAL 58 -5.424 -10.042 3.911 424 HG11 VAL 58 HG11 VAL 58 -4.429 -12.046 4.679 425 HG12 VAL 58 HG12 VAL 58 -6.125 -12.436 4.348 426 HG13 VAL 58 HG13 VAL 58 -5.584 -12.188 6.020 427 HG21 VAL 58 HG21 VAL 58 -7.475 -9.099 4.986 428 HG22 VAL 58 HG22 VAL 58 -7.672 -10.637 5.829 429 HG23 VAL 58 HG23 VAL 58 -7.748 -10.579 4.067 430 H GLN 59 H GLN 59 -3.828 -11.376 7.280 431 HA GLN 59 HA GLN 59 -5.828 -11.981 9.188 432 HB2 GLN 59 HB2 GLN 59 -2.883 -12.526 9.475 433 HB3 GLN 59 HB3 GLN 59 -4.222 -13.473 10.104 434 HG2 GLN 59 HG2 GLN 59 -3.985 -13.089 7.187 435 HG3 GLN 59 HG3 GLN 59 -2.903 -14.221 7.964 436 HE21 GLN 59 HE21 GLN 59 -4.874 -14.755 6.005 437 HE22 GLN 59 HE22 GLN 59 -6.033 -15.837 6.698 438 H ASN 60 H ASN 60 -3.228 -9.865 8.880 439 HA ASN 60 HA ASN 60 -2.989 -8.998 11.579 440 HB2 ASN 60 HB2 ASN 60 -1.602 -8.661 9.024 441 HB3 ASN 60 HB3 ASN 60 -1.617 -7.222 10.010 442 HD21 ASN 60 HD21 ASN 60 -0.549 -10.488 9.737 443 HD22 ASN 60 HD22 ASN 60 0.593 -10.453 11.037 444 HA PRO 61 HA PRO 61 -5.446 -5.272 12.052 445 HB2 PRO 61 HB2 PRO 61 -2.900 -3.860 11.298 446 HB3 PRO 61 HB3 PRO 61 -4.083 -3.433 12.540 447 HG2 PRO 61 HG2 PRO 61 -1.853 -4.712 13.197 448 HG3 PRO 61 HG3 PRO 61 -3.397 -5.123 13.967 449 HD2 PRO 61 HD2 PRO 61 -1.808 -6.655 12.011 450 HD3 PRO 61 HD3 PRO 61 -3.018 -7.223 13.175 451 HA PRO 62 HA PRO 62 -7.509 -3.515 8.666 452 HB2 PRO 62 HB2 PRO 62 -6.189 -0.919 9.248 453 HB3 PRO 62 HB3 PRO 62 -7.880 -1.255 8.875 454 HG2 PRO 62 HG2 PRO 62 -7.140 -0.906 11.383 455 HG3 PRO 62 HG3 PRO 62 -8.288 -2.191 10.964 456 HD2 PRO 62 HD2 PRO 62 -5.433 -2.379 11.735 457 HD3 PRO 62 HD3 PRO 62 -6.751 -3.532 11.999 458 H GLN 63 H GLN 63 -4.110 -3.270 8.464 459 HA GLN 63 HA GLN 63 -3.438 -2.023 6.166 460 HB2 GLN 63 HB2 GLN 63 -1.624 -2.963 7.098 461 HB3 GLN 63 HB3 GLN 63 -2.494 -4.395 7.607 462 HG2 GLN 63 HG2 GLN 63 -1.086 -5.278 6.112 463 HG3 GLN 63 HG3 GLN 63 -2.454 -4.882 5.075 464 HE21 GLN 63 HE21 GLN 63 -1.209 -4.843 3.382 465 HE22 GLN 63 HE22 GLN 63 -0.119 -3.574 2.983 466 H LEU 64 H LEU 64 -5.373 -4.920 6.316 467 HA LEU 64 HA LEU 64 -5.286 -5.862 3.733 468 HB2 LEU 64 HB2 LEU 64 -6.656 -7.092 5.115 469 HB3 LEU 64 HB3 LEU 64 -7.458 -5.676 5.769 470 HG LEU 64 HG LEU 64 -8.405 -5.393 3.394 471 HD11 LEU 64 HD11 LEU 64 -8.714 -7.480 2.155 472 HD12 LEU 64 HD12 LEU 64 -7.648 -8.302 3.290 473 HD13 LEU 64 HD13 LEU 64 -7.019 -7.011 2.269 474 HD21 LEU 64 HD21 LEU 64 -10.339 -6.662 3.903 475 HD22 LEU 64 HD22 LEU 64 -9.701 -6.020 5.429 476 HD23 LEU 64 HD23 LEU 64 -9.435 -7.716 4.998 477 H GLY 65 H GLY 65 -7.264 -3.238 5.015 478 HA2 GLY 65 HA2 GLY 65 -8.951 -2.776 2.892 479 HA3 GLY 65 HA3 GLY 65 -8.444 -1.540 4.016 480 H ARG 66 H ARG 66 -5.654 -1.716 3.220 481 HA ARG 66 HA ARG 66 -5.821 0.145 1.053 482 HB2 ARG 66 HB2 ARG 66 -4.086 0.938 2.213 483 HB3 ARG 66 HB3 ARG 66 -3.906 -0.574 3.090 484 HG2 ARG 66 HG2 ARG 66 -2.985 -0.771 0.353 485 HG3 ARG 66 HG3 ARG 66 -2.123 0.459 1.264 486 HD2 ARG 66 HD2 ARG 66 -2.602 -2.156 2.566 487 HD3 ARG 66 HD3 ARG 66 -1.401 -2.111 1.275 488 HE ARG 66 HE ARG 66 -1.138 -1.086 3.934 489 HH11 ARG 66 HH11 ARG 66 -0.092 -0.532 0.629 490 HH12 ARG 66 HH12 ARG 66 1.415 0.173 1.094 491 HH21 ARG 66 HH21 ARG 66 0.848 -0.158 4.546 492 HH22 ARG 66 HH22 ARG 66 1.957 0.383 3.322 493 H ILE 67 H ILE 67 -4.863 -3.159 1.506 494 HA ILE 67 HA ILE 67 -3.288 -3.577 -0.757 495 HB ILE 67 HB ILE 67 -5.115 -5.537 0.624 496 HG12 ILE 67 HG12 ILE 67 -2.267 -4.746 1.266 497 HG13 ILE 67 HG13 ILE 67 -3.687 -4.319 2.207 498 HG21 ILE 67 HG21 ILE 67 -4.235 -6.348 -1.484 499 HG22 ILE 67 HG22 ILE 67 -3.511 -7.213 -0.128 500 HG23 ILE 67 HG23 ILE 67 -2.594 -5.962 -0.967 501 HD11 ILE 67 HD11 ILE 67 -2.569 -6.133 3.275 502 HD12 ILE 67 HD12 ILE 67 -2.581 -7.073 1.787 503 HD13 ILE 67 HD13 ILE 67 -4.095 -6.718 2.613 504 H LEU 68 H LEU 68 -6.764 -3.992 -0.272 505 HA LEU 68 HA LEU 68 -7.487 -5.441 -2.443 506 HB2 LEU 68 HB2 LEU 68 -8.937 -3.193 -1.103 507 HB3 LEU 68 HB3 LEU 68 -9.670 -4.106 -2.398 508 HG LEU 68 HG LEU 68 -10.514 -5.322 -0.730 509 HD11 LEU 68 HD11 LEU 68 -8.980 -6.867 -1.774 510 HD12 LEU 68 HD12 LEU 68 -9.161 -7.227 -0.057 511 HD13 LEU 68 HD13 LEU 68 -7.717 -6.398 -0.638 512 HD21 LEU 68 HD21 LEU 68 -8.216 -4.643 1.094 513 HD22 LEU 68 HD22 LEU 68 -9.779 -5.346 1.559 514 HD23 LEU 68 HD23 LEU 68 -9.690 -3.685 0.952 515 H LYS 69 H LYS 69 -7.598 -1.849 -2.480 516 HA LYS 69 HA LYS 69 -8.032 -2.039 -5.338 517 HB2 LYS 69 HB2 LYS 69 -8.257 0.238 -3.402 518 HB3 LYS 69 HB3 LYS 69 -8.318 0.494 -5.140 519 HG2 LYS 69 HG2 LYS 69 -10.210 -1.151 -3.472 520 HG3 LYS 69 HG3 LYS 69 -10.557 0.359 -4.317 521 HD2 LYS 69 HD2 LYS 69 -10.018 -0.828 -6.463 522 HD3 LYS 69 HD3 LYS 69 -9.931 -2.327 -5.541 523 HE2 LYS 69 HE2 LYS 69 -12.105 -2.204 -6.506 524 HE3 LYS 69 HE3 LYS 69 -12.272 -1.898 -4.778 525 HZ1 LYS 69 HZ1 LYS 69 -13.594 -0.357 -6.077 526 HZ2 LYS 69 HZ2 LYS 69 -12.219 0.175 -6.904 527 HZ3 LYS 69 HZ3 LYS 69 -12.376 0.470 -5.248 528 H TYR 70 H TYR 70 -5.716 -0.178 -3.287 529 HA TYR 70 HA TYR 70 -4.191 0.147 -5.783 530 HB2 TYR 70 HB2 TYR 70 -4.727 2.194 -3.646 531 HB3 TYR 70 HB3 TYR 70 -3.498 2.400 -4.890 532 HD1 TYR 70 HD1 TYR 70 -4.249 2.352 -7.322 533 HD2 TYR 70 HD2 TYR 70 -6.969 2.751 -4.076 534 HE1 TYR 70 HE1 TYR 70 -5.939 3.252 -8.860 535 HE2 TYR 70 HE2 TYR 70 -8.670 3.653 -5.607 536 HH TYR 70 HH TYR 70 -8.687 4.845 -7.849 537 H HIS 71 H HIS 71 -3.945 -0.905 -2.544 538 HA HIS 71 HA HIS 71 -2.220 -1.486 -1.194 539 HB2 HIS 71 HB2 HIS 71 -0.534 -1.184 -3.684 540 HB3 HIS 71 HB3 HIS 71 -0.015 -1.941 -2.187 541 HD1 HIS 71 HD1 HIS 71 -1.951 -2.555 -5.287 542 HD2 HIS 71 HD2 HIS 71 -1.060 -4.535 -1.748 543 HE1 HIS 71 HE1 HIS 71 -2.620 -4.943 -5.669 544 HE2 HIS 71 HE2 HIS 71 -1.897 -6.155 -3.582 545 H VAL 72 H VAL 72 -3.110 1.124 -1.319 546 HA VAL 72 HA VAL 72 -0.865 2.912 -1.770 547 HB VAL 72 HB VAL 72 -2.995 3.376 -2.909 548 HG11 VAL 72 HG11 VAL 72 -4.079 3.719 -0.124 549 HG12 VAL 72 HG12 VAL 72 -4.507 2.435 -1.257 550 HG13 VAL 72 HG13 VAL 72 -4.944 4.107 -1.611 551 HG21 VAL 72 HG21 VAL 72 -1.551 5.270 -2.364 552 HG22 VAL 72 HG22 VAL 72 -2.341 5.429 -0.797 553 HG23 VAL 72 HG23 VAL 72 -3.254 5.728 -2.275 554 H VAL 73 H VAL 73 -0.282 4.483 -0.397 555 HA VAL 73 HA VAL 73 -1.623 4.809 2.153 556 HB VAL 73 HB VAL 73 0.233 3.518 2.875 557 HG11 VAL 73 HG11 VAL 73 1.550 3.827 0.733 558 HG12 VAL 73 HG12 VAL 73 2.487 3.796 2.228 559 HG13 VAL 73 HG13 VAL 73 2.145 5.334 1.437 560 HG21 VAL 73 HG21 VAL 73 -0.254 5.548 4.161 561 HG22 VAL 73 HG22 VAL 73 0.986 6.399 3.224 562 HG23 VAL 73 HG23 VAL 73 1.438 5.052 4.272 563 H ALA 74 H ALA 74 -2.228 6.841 2.265 564 HA ALA 74 HA ALA 74 -1.467 8.841 0.403 565 HB1 ALA 74 HB1 ALA 74 -3.618 8.940 1.449 566 HB2 ALA 74 HB2 ALA 74 -2.702 10.360 1.964 567 HB3 ALA 74 HB3 ALA 74 -2.892 8.982 3.059 568 H GLY 75 H GLY 75 -0.182 10.540 0.543 569 HA2 GLY 75 HA2 GLY 75 1.206 12.046 1.886 570 HA3 GLY 75 HA3 GLY 75 1.602 10.657 2.890 571 H ALA 76 H ALA 76 2.303 12.373 0.040 572 HA ALA 76 HA ALA 76 3.760 10.559 -1.457 573 HB1 ALA 76 HB1 ALA 76 4.759 12.471 -2.521 574 HB2 ALA 76 HB2 ALA 76 4.301 13.505 -1.167 575 HB3 ALA 76 HB3 ALA 76 3.055 12.803 -2.198 576 H TYR 77 H TYR 77 5.209 9.284 -0.492 577 HA TYR 77 HA TYR 77 7.385 10.581 1.027 578 HB2 TYR 77 HB2 TYR 77 6.825 7.623 1.136 579 HB3 TYR 77 HB3 TYR 77 7.746 8.612 2.249 580 HD1 TYR 77 HD1 TYR 77 6.133 10.616 3.290 581 HD2 TYR 77 HD2 TYR 77 4.920 6.751 1.997 582 HE1 TYR 77 HE1 TYR 77 4.208 10.712 4.816 583 HE2 TYR 77 HE2 TYR 77 2.984 6.837 3.506 584 HH TYR 77 HH TYR 77 1.945 9.683 4.998 585 H LYS 78 H LYS 78 9.018 10.939 -0.509 586 HA LYS 78 HA LYS 78 9.909 9.191 -2.447 587 HB2 LYS 78 HB2 LYS 78 11.104 11.387 -0.812 588 HB3 LYS 78 HB3 LYS 78 12.141 10.396 -1.829 589 HG2 LYS 78 HG2 LYS 78 9.709 11.876 -2.803 590 HG3 LYS 78 HG3 LYS 78 11.353 12.385 -3.008 591 HD2 LYS 78 HD2 LYS 78 11.825 10.245 -4.107 592 HD3 LYS 78 HD3 LYS 78 10.077 9.953 -4.019 593 HE2 LYS 78 HE2 LYS 78 10.313 10.898 -6.080 594 HE3 LYS 78 HE3 LYS 78 9.858 12.233 -5.021 595 HZ1 LYS 78 HZ1 LYS 78 12.152 12.936 -4.920 596 HZ2 LYS 78 HZ2 LYS 78 11.679 12.845 -6.538 597 HZ3 LYS 78 HZ3 LYS 78 12.645 11.626 -5.875 598 H ALA 79 H ALA 79 11.907 7.845 -2.212 599 HA ALA 79 HA ALA 79 11.494 5.868 -0.330 600 HB1 ALA 79 HB1 ALA 79 12.826 5.508 -2.349 601 HB2 ALA 79 HB2 ALA 79 13.695 4.993 -0.900 602 HB3 ALA 79 HB3 ALA 79 14.110 6.520 -1.685 603 H THR 80 H THR 80 13.284 8.830 -0.084 604 HA THR 80 HA THR 80 15.007 7.928 2.072 605 HB THR 80 HB THR 80 15.846 9.560 0.461 606 HG1 THR 80 HG1 THR 80 15.772 11.283 2.573 607 HG21 THR 80 HG21 THR 80 14.997 11.858 0.401 608 HG22 THR 80 HG22 THR 80 13.715 11.414 1.527 609 HG23 THR 80 HG23 THR 80 13.758 10.704 -0.085 610 H ASP 81 H ASP 81 11.923 9.613 1.800 611 HA ASP 81 HA ASP 81 11.977 10.716 4.430 612 HB2 ASP 81 HB2 ASP 81 10.418 11.422 2.564 613 HB3 ASP 81 HB3 ASP 81 9.523 9.932 2.837 614 H LEU 82 H LEU 82 10.931 7.675 3.028 615 HA LEU 82 HA LEU 82 9.834 6.538 5.328 616 HB2 LEU 82 HB2 LEU 82 11.117 5.314 2.897 617 HB3 LEU 82 HB3 LEU 82 10.245 4.394 4.104 618 HG LEU 82 HG LEU 82 8.492 4.708 2.754 619 HD11 LEU 82 HD11 LEU 82 7.971 6.143 4.684 620 HD12 LEU 82 HD12 LEU 82 7.146 6.625 3.204 621 HD13 LEU 82 HD13 LEU 82 8.559 7.524 3.760 622 HD21 LEU 82 HD21 LEU 82 9.891 5.489 0.951 623 HD22 LEU 82 HD22 LEU 82 9.807 7.126 1.599 624 HD23 LEU 82 HD23 LEU 82 8.350 6.340 0.991 625 H LYS 83 H LYS 83 13.118 6.154 3.976 626 HA LYS 83 HA LYS 83 14.082 4.568 6.004 627 HB2 LYS 83 HB2 LYS 83 16.062 6.191 4.628 628 HB3 LYS 83 HB3 LYS 83 15.810 4.464 4.699 629 HG2 LYS 83 HG2 LYS 83 14.109 4.651 3.042 630 HG3 LYS 83 HG3 LYS 83 14.560 6.349 2.851 631 HD2 LYS 83 HD2 LYS 83 16.424 4.010 2.464 632 HD3 LYS 83 HD3 LYS 83 15.662 4.931 1.167 633 HE2 LYS 83 HE2 LYS 83 16.820 6.948 1.909 634 HE3 LYS 83 HE3 LYS 83 17.558 6.047 3.231 635 HZ1 LYS 83 HZ1 LYS 83 18.620 4.620 1.546 636 HZ2 LYS 83 HZ2 LYS 83 19.111 6.234 1.450 637 HZ3 LYS 83 HZ3 LYS 83 18.001 5.623 0.330 638 H ARG 84 H ARG 84 13.968 8.081 5.609 639 HA ARG 84 HA ARG 84 15.597 8.872 7.674 640 HB2 ARG 84 HB2 ARG 84 13.628 9.881 5.901 641 HB3 ARG 84 HB3 ARG 84 13.252 10.444 7.499 642 HG2 ARG 84 HG2 ARG 84 15.946 10.828 7.338 643 HG3 ARG 84 HG3 ARG 84 15.395 11.203 5.712 644 HD2 ARG 84 HD2 ARG 84 13.799 12.804 6.590 645 HD3 ARG 84 HD3 ARG 84 14.274 12.394 8.238 646 HE ARG 84 HE ARG 84 16.560 13.237 7.518 647 HH11 ARG 84 HH11 ARG 84 13.563 14.483 6.201 648 HH12 ARG 84 HH12 ARG 84 14.229 16.039 5.823 649 HH21 ARG 84 HH21 ARG 84 17.435 15.285 7.023 650 HH22 ARG 84 HH22 ARG 84 16.426 16.499 6.303 651 H MET 85 H MET 85 12.357 7.611 7.565 652 HA MET 85 HA MET 85 12.018 7.746 10.438 653 HB2 MET 85 HB2 MET 85 10.344 6.434 8.297 654 HB3 MET 85 HB3 MET 85 9.908 6.534 9.991 655 HG2 MET 85 HG2 MET 85 9.851 8.957 9.829 656 HG3 MET 85 HG3 MET 85 10.310 8.856 8.133 657 HE1 MET 85 HE1 MET 85 7.778 10.515 9.012 658 HE2 MET 85 HE2 MET 85 6.604 9.985 7.809 659 HE3 MET 85 HE3 MET 85 8.276 10.285 7.336 660 H GLY 86 H GLY 86 12.759 5.349 7.911 661 HA2 GLY 86 HA2 GLY 86 13.669 3.219 8.174 662 HA3 GLY 86 HA3 GLY 86 13.728 3.482 9.912 663 H ILE 87 H ILE 87 10.777 4.189 8.499 664 HA ILE 87 HA ILE 87 9.504 1.681 8.592 665 HB ILE 87 HB ILE 87 9.887 2.525 11.082 666 HG12 ILE 87 HG12 ILE 87 7.104 1.630 10.357 667 HG13 ILE 87 HG13 ILE 87 8.476 0.549 10.186 668 HG21 ILE 87 HG21 ILE 87 7.441 4.003 10.178 669 HG22 ILE 87 HG22 ILE 87 8.956 4.713 10.741 670 HG23 ILE 87 HG23 ILE 87 7.933 3.812 11.863 671 HD11 ILE 87 HD11 ILE 87 8.949 0.848 12.586 672 HD12 ILE 87 HD12 ILE 87 7.374 0.129 12.261 673 HD13 ILE 87 HD13 ILE 87 7.490 1.830 12.713 674 H VAL 88 H VAL 88 7.256 1.910 8.079 675 HA VAL 88 HA VAL 88 6.491 4.545 7.026 676 HB VAL 88 HB VAL 88 5.378 3.272 5.140 677 HG11 VAL 88 HG11 VAL 88 8.336 3.472 5.525 678 HG12 VAL 88 HG12 VAL 88 7.266 4.455 4.512 679 HG13 VAL 88 HG13 VAL 88 7.672 2.809 4.026 680 HG21 VAL 88 HG21 VAL 88 5.419 1.048 6.115 681 HG22 VAL 88 HG22 VAL 88 7.188 1.083 6.180 682 HG23 VAL 88 HG23 VAL 88 6.353 1.056 4.617 683 H THR 89 H THR 89 4.379 5.112 7.400 684 HA THR 89 HA THR 89 2.794 3.104 8.841 685 HB THR 89 HB THR 89 2.180 6.047 8.863 686 HG1 THR 89 HG1 THR 89 4.332 5.726 9.656 687 HG21 THR 89 HG21 THR 89 1.563 3.735 10.723 688 HG22 THR 89 HG22 THR 89 0.429 4.525 9.615 689 HG23 THR 89 HG23 THR 89 1.085 5.420 10.991 690 H SER 90 H SER 90 1.046 2.343 7.997 691 HA SER 90 HA SER 90 0.343 2.866 5.314 692 HB2 SER 90 HB2 SER 90 -0.935 1.221 7.517 693 HB3 SER 90 HB3 SER 90 -1.505 1.219 5.834 694 HG SER 90 HG SER 90 0.966 0.326 6.891 695 H LEU 91 H LEU 91 -1.882 3.423 4.576 696 HA LEU 91 HA LEU 91 -2.811 5.859 5.395 697 HB2 LEU 91 HB2 LEU 91 -3.404 4.300 3.367 698 HB3 LEU 91 HB3 LEU 91 -4.753 3.812 4.367 699 HG LEU 91 HG LEU 91 -5.805 5.834 4.212 700 HD11 LEU 91 HD11 LEU 91 -4.219 7.322 5.058 701 HD12 LEU 91 HD12 LEU 91 -4.552 7.891 3.418 702 HD13 LEU 91 HD13 LEU 91 -3.086 6.971 3.757 703 HD21 LEU 91 HD21 LEU 91 -4.177 5.725 1.694 704 HD22 LEU 91 HD22 LEU 91 -5.713 6.563 1.909 705 HD23 LEU 91 HD23 LEU 91 -5.643 4.799 2.012 706 H GLU 92 H GLU 92 -3.657 2.689 6.564 707 HA GLU 92 HA GLU 92 -5.837 3.542 8.225 708 HB2 GLU 92 HB2 GLU 92 -5.854 1.228 9.018 709 HB3 GLU 92 HB3 GLU 92 -5.762 1.287 7.254 710 HG2 GLU 92 HG2 GLU 92 -4.082 -0.161 7.446 711 HG3 GLU 92 HG3 GLU 92 -3.124 1.200 8.022 712 H GLY 93 H GLY 93 -2.433 3.200 8.519 713 HA2 GLY 93 HA2 GLY 93 -1.388 4.400 10.393 714 HA3 GLY 93 HA3 GLY 93 -2.617 3.692 11.419 715 H SER 94 H SER 94 -1.501 1.411 9.153 716 HA SER 94 HA SER 94 -0.084 0.032 11.216 717 HB2 SER 94 HB2 SER 94 -1.165 -0.654 8.569 718 HB3 SER 94 HB3 SER 94 0.290 -1.529 9.039 719 HG SER 94 HG SER 94 -2.282 -1.724 9.992 720 H THR 95 H THR 95 1.992 0.275 11.642 721 HA THR 95 HA THR 95 3.767 1.501 9.739 722 HB THR 95 HB THR 95 5.327 0.678 11.861 723 HG1 THR 95 HG1 THR 95 3.421 1.773 13.382 724 HG21 THR 95 HG21 THR 95 5.232 3.019 12.534 725 HG22 THR 95 HG22 THR 95 3.772 3.247 11.570 726 HG23 THR 95 HG23 THR 95 5.304 2.879 10.776 727 H ILE 96 H ILE 96 5.375 0.631 8.641 728 HA ILE 96 HA ILE 96 6.033 -2.208 8.986 729 HB ILE 96 HB ILE 96 5.243 -0.790 6.480 730 HG12 ILE 96 HG12 ILE 96 4.389 -3.197 6.014 731 HG13 ILE 96 HG13 ILE 96 4.690 -3.461 7.728 732 HG21 ILE 96 HG21 ILE 96 7.319 -2.934 6.638 733 HG22 ILE 96 HG22 ILE 96 7.385 -1.393 5.784 734 HG23 ILE 96 HG23 ILE 96 6.339 -2.687 5.194 735 HD11 ILE 96 HD11 ILE 96 3.155 -1.636 8.270 736 HD12 ILE 96 HD12 ILE 96 2.370 -2.907 7.332 737 HD13 ILE 96 HD13 ILE 96 2.843 -1.398 6.551 738 HA PRO 97 HA PRO 97 9.953 -0.234 9.519 739 HB2 PRO 97 HB2 PRO 97 11.254 -2.828 9.197 740 HB3 PRO 97 HB3 PRO 97 11.109 -1.827 10.640 741 HG2 PRO 97 HG2 PRO 97 9.794 -4.182 10.329 742 HG3 PRO 97 HG3 PRO 97 9.171 -2.847 11.312 743 HD2 PRO 97 HD2 PRO 97 8.386 -3.718 8.568 744 HD3 PRO 97 HD3 PRO 97 7.381 -3.090 9.890 745 H ILE 98 H ILE 98 11.230 0.763 8.263 746 HA ILE 98 HA ILE 98 11.792 -0.210 5.567 747 HB ILE 98 HB ILE 98 11.992 2.516 6.835 748 HG12 ILE 98 HG12 ILE 98 9.734 1.710 6.324 749 HG13 ILE 98 HG13 ILE 98 10.186 3.082 5.325 750 HG21 ILE 98 HG21 ILE 98 13.794 2.346 5.265 751 HG22 ILE 98 HG22 ILE 98 12.522 3.345 4.564 752 HG23 ILE 98 HG23 ILE 98 12.718 1.672 4.041 753 HD11 ILE 98 HD11 ILE 98 10.449 1.743 3.423 754 HD12 ILE 98 HD12 ILE 98 8.963 1.182 4.203 755 HD13 ILE 98 HD13 ILE 98 10.457 0.258 4.374 756 H HIS 99 H HIS 99 13.791 -0.490 4.825 757 HA HIS 99 HA HIS 99 16.093 0.309 6.429 758 HB2 HIS 99 HB2 HIS 99 15.610 -2.468 5.424 759 HB3 HIS 99 HB3 HIS 99 17.187 -1.899 5.930 760 HD1 HIS 99 HD1 HIS 99 14.055 -3.312 7.207 761 HD2 HIS 99 HD2 HIS 99 17.314 -1.240 8.744 762 HE1 HIS 99 HE1 HIS 99 13.916 -3.587 9.702 763 HE2 HIS 99 HE2 HIS 99 15.783 -2.160 10.611 764 H GLY 100 H GLY 100 18.167 -0.184 4.972 765 HA2 GLY 100 HA2 GLY 100 18.030 -0.611 2.274 766 HA3 GLY 100 HA3 GLY 100 17.671 1.097 2.457 767 H ASP 101 H ASP 101 20.066 -1.042 1.849 768 HA ASP 101 HA ASP 101 22.138 0.734 2.925 769 HB2 ASP 101 HB2 ASP 101 22.427 -1.699 3.289 770 HB3 ASP 101 HB3 ASP 101 22.445 -1.941 1.547 771 H ASN 102 H ASN 102 21.354 -0.934 -0.135 772 HA ASN 102 HA ASN 102 22.356 1.448 -1.525 773 HB2 ASN 102 HB2 ASN 102 22.021 -1.380 -2.519 774 HB3 ASN 102 HB3 ASN 102 22.320 -0.026 -3.597 775 HD21 ASN 102 HD21 ASN 102 24.092 1.315 -1.688 776 HD22 ASN 102 HD22 ASN 102 25.561 0.408 -1.696 777 HA PRO 103 HA PRO 103 17.932 1.127 -3.168 778 HB2 PRO 103 HB2 PRO 103 16.509 -1.074 -3.189 779 HB3 PRO 103 HB3 PRO 103 17.927 -0.978 -4.243 780 HG2 PRO 103 HG2 PRO 103 17.656 -2.292 -1.566 781 HG3 PRO 103 HG3 PRO 103 18.367 -2.942 -3.056 782 HD2 PRO 103 HD2 PRO 103 19.812 -1.769 -1.044 783 HD3 PRO 103 HD3 PRO 103 20.346 -1.871 -2.725 784 H LEU 104 H LEU 104 15.650 1.169 -2.292 785 HA LEU 104 HA LEU 104 15.554 1.310 0.566 786 HB2 LEU 104 HB2 LEU 104 14.178 2.749 -0.946 787 HB3 LEU 104 HB3 LEU 104 13.274 1.319 -1.389 788 HG LEU 104 HG LEU 104 12.697 1.093 1.085 789 HD11 LEU 104 HD11 LEU 104 14.355 2.580 2.033 790 HD12 LEU 104 HD12 LEU 104 12.739 3.219 2.350 791 HD13 LEU 104 HD13 LEU 104 13.729 3.922 1.070 792 HD21 LEU 104 HD21 LEU 104 11.695 3.421 -0.542 793 HD22 LEU 104 HD22 LEU 104 10.912 2.792 0.912 794 HD23 LEU 104 HD23 LEU 104 11.061 1.770 -0.517 795 H GLU 105 H GLU 105 14.095 0.017 1.871 796 HA GLU 105 HA GLU 105 13.636 -2.690 0.869 797 HB2 GLU 105 HB2 GLU 105 15.325 -2.054 3.301 798 HB3 GLU 105 HB3 GLU 105 14.804 -3.664 2.826 799 HG2 GLU 105 HG2 GLU 105 16.239 -2.123 0.773 800 HG3 GLU 105 HG3 GLU 105 17.185 -2.601 2.183 801 H VAL 106 H VAL 106 11.571 -2.953 1.274 802 HA VAL 106 HA VAL 106 10.434 -1.717 3.679 803 HB VAL 106 HB VAL 106 9.230 -0.695 2.070 804 HG11 VAL 106 HG11 VAL 106 10.536 -1.509 0.229 805 HG12 VAL 106 HG12 VAL 106 8.822 -1.583 -0.188 806 HG13 VAL 106 HG13 VAL 106 9.681 -3.055 0.263 807 HG21 VAL 106 HG21 VAL 106 7.161 -1.956 1.357 808 HG22 VAL 106 HG22 VAL 106 7.447 -1.846 3.099 809 HG23 VAL 106 HG23 VAL 106 7.817 -3.342 2.234 810 H LYS 107 H LYS 107 10.079 -3.035 5.267 811 HA LYS 107 HA LYS 107 10.015 -4.878 6.517 812 HB2 LYS 107 HB2 LYS 107 8.058 -6.405 6.129 813 HB3 LYS 107 HB3 LYS 107 7.705 -4.711 6.368 814 HG2 LYS 107 HG2 LYS 107 7.601 -4.591 3.798 815 HG3 LYS 107 HG3 LYS 107 7.495 -6.346 3.882 816 HD2 LYS 107 HD2 LYS 107 5.671 -4.631 5.516 817 HD3 LYS 107 HD3 LYS 107 5.313 -4.957 3.823 818 HE2 LYS 107 HE2 LYS 107 4.142 -6.496 5.310 819 HE3 LYS 107 HE3 LYS 107 5.282 -7.347 4.272 820 HZ1 LYS 107 HZ1 LYS 107 5.942 -6.551 7.049 821 HZ2 LYS 107 HZ2 LYS 107 6.750 -7.667 6.063 822 HZ3 LYS 107 HZ3 LYS 107 5.220 -8.033 6.679 823 H ASN 108 H ASN 108 9.202 -6.603 3.515 824 HA ASN 108 HA ASN 108 11.597 -8.229 3.929 825 HB2 ASN 108 HB2 ASN 108 10.211 -10.288 3.483 826 HB3 ASN 108 HB3 ASN 108 9.897 -9.517 5.032 827 HD21 ASN 108 HD21 ASN 108 8.636 -10.280 1.906 828 HD22 ASN 108 HD22 ASN 108 7.001 -9.812 2.221 829 H ALA 109 H ALA 109 10.636 -6.137 2.086 830 HA ALA 109 HA ALA 109 11.031 -7.603 -0.431 831 HB1 ALA 109 HB1 ALA 109 9.211 -5.226 -0.029 832 HB2 ALA 109 HB2 ALA 109 8.675 -6.903 -0.201 833 HB3 ALA 109 HB3 ALA 109 9.487 -6.092 -1.542 834 H THR 110 H THR 110 11.995 -6.237 -2.136 835 HA THR 110 HA THR 110 13.732 -4.189 -0.999 836 HB THR 110 HB THR 110 14.480 -6.175 -3.152 837 HG1 THR 110 HG1 THR 110 15.200 -6.028 -0.371 838 HG21 THR 110 HG21 THR 110 16.753 -5.284 -2.821 839 HG22 THR 110 HG22 THR 110 16.117 -4.112 -1.664 840 HG23 THR 110 HG23 THR 110 15.632 -4.034 -3.358 841 H VAL 111 H VAL 111 13.859 -2.382 -2.124 842 HA VAL 111 HA VAL 111 11.997 -2.021 -4.275 843 HB VAL 111 HB VAL 111 13.709 -0.243 -2.637 844 HG11 VAL 111 HG11 VAL 111 14.195 0.480 -4.929 845 HG12 VAL 111 HG12 VAL 111 13.241 1.676 -4.054 846 HG13 VAL 111 HG13 VAL 111 12.465 0.627 -5.240 847 HG21 VAL 111 HG21 VAL 111 11.559 0.964 -2.417 848 HG22 VAL 111 HG22 VAL 111 11.470 -0.720 -1.902 849 HG23 VAL 111 HG23 VAL 111 10.817 -0.241 -3.469 850 H LEU 112 H LEU 112 12.359 -2.123 -6.322 851 HA LEU 112 HA LEU 112 15.040 -2.416 -7.390 852 HB2 LEU 112 HB2 LEU 112 12.290 -2.607 -8.612 853 HB3 LEU 112 HB3 LEU 112 13.754 -2.681 -9.572 854 HG LEU 112 HG LEU 112 14.383 -4.667 -8.036 855 HD11 LEU 112 HD11 LEU 112 12.132 -3.856 -6.759 856 HD12 LEU 112 HD12 LEU 112 12.873 -5.453 -6.596 857 HD13 LEU 112 HD13 LEU 112 11.528 -5.207 -7.730 858 HD21 LEU 112 HD21 LEU 112 13.824 -4.899 -10.403 859 HD22 LEU 112 HD22 LEU 112 12.106 -4.883 -10.007 860 HD23 LEU 112 HD23 LEU 112 13.126 -6.215 -9.459 861 H ALA 113 H ALA 113 12.299 -0.260 -7.426 862 HA ALA 113 HA ALA 113 13.956 1.953 -8.288 863 HB1 ALA 113 HB1 ALA 113 12.510 2.571 -10.162 864 HB2 ALA 113 HB2 ALA 113 11.565 1.102 -9.921 865 HB3 ALA 113 HB3 ALA 113 13.251 0.993 -10.425 866 H ALA 114 H ALA 114 13.498 3.321 -6.683 867 HA ALA 114 HA ALA 114 10.681 3.974 -6.221 868 HB1 ALA 114 HB1 ALA 114 12.829 3.557 -4.158 869 HB2 ALA 114 HB2 ALA 114 11.319 2.655 -4.327 870 HB3 ALA 114 HB3 ALA 114 11.290 4.342 -3.813 871 H ASP 115 H ASP 115 10.946 6.032 -4.523 872 HA ASP 115 HA ASP 115 11.309 8.271 -4.454 873 HB2 ASP 115 HB2 ASP 115 13.740 7.636 -4.442 874 HB3 ASP 115 HB3 ASP 115 13.736 7.671 -6.198 875 H ILE 116 H ILE 116 9.770 6.816 -6.364 876 HA ILE 116 HA ILE 116 9.856 8.343 -8.829 877 HB ILE 116 HB ILE 116 7.880 6.221 -8.051 878 HG12 ILE 116 HG12 ILE 116 10.623 5.830 -9.241 879 HG13 ILE 116 HG13 ILE 116 10.044 5.230 -7.705 880 HG21 ILE 116 HG21 ILE 116 7.444 7.655 -10.015 881 HG22 ILE 116 HG22 ILE 116 7.569 5.933 -10.390 882 HG23 ILE 116 HG23 ILE 116 8.919 7.013 -10.753 883 HD11 ILE 116 HD11 ILE 116 9.021 4.379 -10.402 884 HD12 ILE 116 HD12 ILE 116 8.478 3.761 -8.842 885 HD13 ILE 116 HD13 ILE 116 10.131 3.466 -9.380 886 H GLU 117 H GLU 117 8.825 10.364 -8.500 887 HA GLU 117 HA GLU 117 6.576 10.646 -6.949 888 HB2 GLU 117 HB2 GLU 117 6.373 12.733 -8.562 889 HB3 GLU 117 HB3 GLU 117 7.523 12.583 -7.234 890 HG2 GLU 117 HG2 GLU 117 9.242 12.068 -8.502 891 HG3 GLU 117 HG3 GLU 117 8.229 11.540 -9.839 892 H ALA 118 H ALA 118 4.725 9.831 -7.161 893 HA ALA 118 HA ALA 118 3.752 8.717 -9.624 894 HB1 ALA 118 HB1 ALA 118 2.775 7.378 -8.148 895 HB2 ALA 118 HB2 ALA 118 1.682 8.704 -7.749 896 HB3 ALA 118 HB3 ALA 118 3.168 8.471 -6.817 897 H GLU 119 H GLU 119 1.203 9.033 -9.788 898 HA GLU 119 HA GLU 119 0.586 11.436 -10.943 899 HB2 GLU 119 HB2 GLU 119 -1.837 10.815 -10.326 900 HB3 GLU 119 HB3 GLU 119 -0.921 9.683 -11.311 901 HG2 GLU 119 HG2 GLU 119 -0.453 8.332 -9.327 902 HG3 GLU 119 HG3 GLU 119 -1.376 9.457 -8.332 903 H ASN 120 H ASN 120 -0.110 10.512 -7.574 904 HA ASN 120 HA ASN 120 -0.423 13.374 -6.976 905 HB2 ASN 120 HB2 ASN 120 -1.765 10.959 -5.812 906 HB3 ASN 120 HB3 ASN 120 -1.649 12.441 -4.882 907 HD21 ASN 120 HD21 ASN 120 -3.777 12.891 -4.821 908 HD22 ASN 120 HD22 ASN 120 -4.710 13.309 -6.220 909 H GLY 121 H GLY 121 1.486 10.589 -6.340 910 HA2 GLY 121 HA2 GLY 121 2.751 11.985 -4.096 911 HA3 GLY 121 HA3 GLY 121 2.115 10.387 -3.803 912 H ILE 122 H ILE 122 3.444 8.790 -4.010 913 HA ILE 122 HA ILE 122 5.777 8.947 -5.734 914 HB ILE 122 HB ILE 122 5.876 8.569 -2.749 915 HG12 ILE 122 HG12 ILE 122 5.904 10.903 -3.730 916 HG13 ILE 122 HG13 ILE 122 7.275 10.496 -2.699 917 HG21 ILE 122 HG21 ILE 122 7.265 6.887 -3.830 918 HG22 ILE 122 HG22 ILE 122 8.249 8.075 -2.974 919 HG23 ILE 122 HG23 ILE 122 8.110 8.149 -4.730 920 HD11 ILE 122 HD11 ILE 122 7.948 9.787 -5.364 921 HD12 ILE 122 HD12 ILE 122 8.674 11.060 -4.324 922 HD13 ILE 122 HD13 ILE 122 7.292 11.436 -5.380 923 H ILE 123 H ILE 123 6.654 6.980 -6.253 924 HA ILE 123 HA ILE 123 5.111 4.585 -5.440 925 HB ILE 123 HB ILE 123 6.309 5.198 -8.158 926 HG12 ILE 123 HG12 ILE 123 3.459 4.692 -7.310 927 HG13 ILE 123 HG13 ILE 123 4.153 6.287 -7.581 928 HG21 ILE 123 HG21 ILE 123 4.945 2.676 -7.193 929 HG22 ILE 123 HG22 ILE 123 6.642 2.843 -7.644 930 HG23 ILE 123 HG23 ILE 123 5.384 3.026 -8.866 931 HD11 ILE 123 HD11 ILE 123 3.785 4.121 -9.636 932 HD12 ILE 123 HD12 ILE 123 4.565 5.674 -9.929 933 HD13 ILE 123 HD13 ILE 123 2.857 5.615 -9.494 934 H HIS 124 H HIS 124 6.243 2.696 -5.070 935 HA HIS 124 HA HIS 124 9.150 2.732 -5.509 936 HB2 HIS 124 HB2 HIS 124 8.208 1.364 -3.037 937 HB3 HIS 124 HB3 HIS 124 9.763 2.079 -3.389 938 HD1 HIS 124 HD1 HIS 124 6.806 2.589 -1.442 939 HD2 HIS 124 HD2 HIS 124 9.589 5.080 -3.258 940 HE1 HIS 124 HE1 HIS 124 6.606 4.796 -0.261 941 HE2 HIS 124 HE2 HIS 124 8.179 6.334 -1.484 942 H VAL 125 H VAL 125 9.580 1.065 -6.775 943 HA VAL 125 HA VAL 125 7.786 -1.198 -6.984 944 HB VAL 125 HB VAL 125 10.434 -0.650 -8.343 945 HG11 VAL 125 HG11 VAL 125 10.002 -2.998 -8.415 946 HG12 VAL 125 HG12 VAL 125 9.631 -2.328 -10.004 947 HG13 VAL 125 HG13 VAL 125 8.324 -2.729 -8.890 948 HG21 VAL 125 HG21 VAL 125 8.786 1.044 -8.891 949 HG22 VAL 125 HG22 VAL 125 7.614 -0.206 -9.313 950 HG23 VAL 125 HG23 VAL 125 9.074 -0.003 -10.282 951 H ILE 126 H ILE 126 8.079 -3.170 -6.009 952 HA ILE 126 HA ILE 126 10.666 -3.647 -4.677 953 HB ILE 126 HB ILE 126 9.622 -4.658 -2.793 954 HG12 ILE 126 HG12 ILE 126 7.515 -5.240 -4.382 955 HG13 ILE 126 HG13 ILE 126 7.467 -5.328 -2.627 956 HG21 ILE 126 HG21 ILE 126 8.471 -2.739 -1.786 957 HG22 ILE 126 HG22 ILE 126 8.364 -1.988 -3.382 958 HG23 ILE 126 HG23 ILE 126 9.942 -2.281 -2.646 959 HD11 ILE 126 HD11 ILE 126 6.462 -3.145 -2.508 960 HD12 ILE 126 HD12 ILE 126 5.517 -4.189 -3.572 961 HD13 ILE 126 HD13 ILE 126 6.582 -2.961 -4.259 962 H ASP 127 H ASP 127 11.018 -5.913 -4.167 963 HA ASP 127 HA ASP 127 10.397 -7.448 -6.533 964 HB2 ASP 127 HB2 ASP 127 12.425 -8.499 -6.211 965 HB3 ASP 127 HB3 ASP 127 12.752 -6.931 -5.517 966 H THR 128 H THR 128 8.856 -7.152 -3.786 967 HA THR 128 HA THR 128 8.214 -9.952 -3.540 968 HB THR 128 HB THR 128 9.456 -8.372 -1.303 969 HG1 THR 128 HG1 THR 128 10.955 -9.426 -2.607 970 HG21 THR 128 HG21 THR 128 7.942 -10.971 -1.190 971 HG22 THR 128 HG22 THR 128 7.632 -9.481 -0.288 972 HG23 THR 128 HG23 THR 128 9.066 -10.446 0.064 973 H VAL 129 H VAL 129 6.074 -10.117 -3.343 974 HA VAL 129 HA VAL 129 4.438 -7.984 -2.346 975 HB VAL 129 HB VAL 129 3.769 -10.852 -3.066 976 HG11 VAL 129 HG11 VAL 129 1.949 -8.569 -2.356 977 HG12 VAL 129 HG12 VAL 129 2.252 -10.011 -1.389 978 HG13 VAL 129 HG13 VAL 129 1.435 -10.149 -2.944 979 HG21 VAL 129 HG21 VAL 129 4.400 -9.517 -5.002 980 HG22 VAL 129 HG22 VAL 129 3.235 -8.274 -4.542 981 HG23 VAL 129 HG23 VAL 129 2.671 -9.877 -5.033 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -20.966 14.853 -3.223 2 H2 MET 1 H2 MET 1 -21.696 13.677 -4.190 3 H3 MET 1 H3 MET 1 -21.186 15.137 -4.876 4 HA MET 1 HA MET 1 -19.653 13.381 -5.425 5 HB2 MET 1 HB2 MET 1 -18.494 15.278 -3.371 6 HB3 MET 1 HB3 MET 1 -17.582 14.398 -4.585 7 HG2 MET 1 HG2 MET 1 -18.716 15.636 -6.350 8 HG3 MET 1 HG3 MET 1 -19.654 16.507 -5.140 9 HE1 MET 1 HE1 MET 1 -17.984 17.991 -7.393 10 HE2 MET 1 HE2 MET 1 -17.225 19.276 -6.454 11 HE3 MET 1 HE3 MET 1 -18.905 18.835 -6.149 12 H ALA 2 H ALA 2 -19.063 11.394 -4.893 13 HA ALA 2 HA ALA 2 -18.655 10.778 -2.049 14 HB1 ALA 2 HB1 ALA 2 -20.816 9.883 -2.795 15 HB2 ALA 2 HB2 ALA 2 -19.681 8.602 -2.361 16 HB3 ALA 2 HB3 ALA 2 -19.990 8.972 -4.059 17 H THR 3 H THR 3 -16.647 10.214 -1.714 18 HA THR 3 HA THR 3 -14.759 9.503 -3.655 19 HB THR 3 HB THR 3 -14.734 8.808 -0.708 20 HG1 THR 3 HG1 THR 3 -13.315 10.963 -1.109 21 HG21 THR 3 HG21 THR 3 -12.345 8.813 -0.884 22 HG22 THR 3 HG22 THR 3 -12.416 9.362 -2.560 23 HG23 THR 3 HG23 THR 3 -12.975 7.743 -2.137 24 H ILE 4 H ILE 4 -13.873 7.499 -4.231 25 HA ILE 4 HA ILE 4 -15.653 5.436 -4.709 26 HB ILE 4 HB ILE 4 -13.520 4.028 -5.114 27 HG12 ILE 4 HG12 ILE 4 -11.539 5.575 -5.606 28 HG13 ILE 4 HG13 ILE 4 -12.340 6.758 -4.584 29 HG21 ILE 4 HG21 ILE 4 -14.047 6.557 -6.663 30 HG22 ILE 4 HG22 ILE 4 -14.874 5.013 -6.867 31 HG23 ILE 4 HG23 ILE 4 -13.160 5.154 -7.256 32 HD11 ILE 4 HD11 ILE 4 -10.609 5.533 -3.390 33 HD12 ILE 4 HD12 ILE 4 -11.454 4.019 -3.716 34 HD13 ILE 4 HD13 ILE 4 -12.204 5.247 -2.696 35 H VAL 5 H VAL 5 -13.849 6.016 -1.856 36 HA VAL 5 HA VAL 5 -14.251 3.327 -0.842 37 HB VAL 5 HB VAL 5 -12.170 4.234 -0.180 38 HG11 VAL 5 HG11 VAL 5 -11.965 6.390 1.032 39 HG12 VAL 5 HG12 VAL 5 -13.664 6.695 0.659 40 HG13 VAL 5 HG13 VAL 5 -12.485 6.553 -0.647 41 HG21 VAL 5 HG21 VAL 5 -14.136 4.482 2.046 42 HG22 VAL 5 HG22 VAL 5 -12.387 4.442 2.272 43 HG23 VAL 5 HG23 VAL 5 -13.223 3.047 1.583 44 H ASP 6 H ASP 6 -15.438 6.583 -0.417 45 HA ASP 6 HA ASP 6 -16.917 6.291 1.922 46 HB2 ASP 6 HB2 ASP 6 -16.401 8.424 0.622 47 HB3 ASP 6 HB3 ASP 6 -17.758 8.006 -0.411 48 H ILE 7 H ILE 7 -17.815 5.865 -1.448 49 HA ILE 7 HA ILE 7 -20.486 5.200 -1.078 50 HB ILE 7 HB ILE 7 -18.759 3.992 -3.229 51 HG12 ILE 7 HG12 ILE 7 -20.242 6.579 -3.528 52 HG13 ILE 7 HG13 ILE 7 -18.647 6.586 -2.782 53 HG21 ILE 7 HG21 ILE 7 -21.681 4.776 -3.136 54 HG22 ILE 7 HG22 ILE 7 -21.061 3.130 -3.039 55 HG23 ILE 7 HG23 ILE 7 -20.847 4.065 -4.520 56 HD11 ILE 7 HD11 ILE 7 -17.665 5.638 -4.752 57 HD12 ILE 7 HD12 ILE 7 -18.593 7.075 -5.189 58 HD13 ILE 7 HD13 ILE 7 -19.250 5.469 -5.506 59 H ALA 8 H ALA 8 -17.666 3.315 -0.351 60 HA ALA 8 HA ALA 8 -18.790 0.739 -0.555 61 HB1 ALA 8 HB1 ALA 8 -16.998 0.012 0.941 62 HB2 ALA 8 HB2 ALA 8 -16.623 1.697 1.311 63 HB3 ALA 8 HB3 ALA 8 -16.392 1.080 -0.324 64 H VAL 9 H VAL 9 -18.890 3.169 2.008 65 HA VAL 9 HA VAL 9 -20.449 1.402 3.713 66 HB VAL 9 HB VAL 9 -18.767 3.165 4.543 67 HG11 VAL 9 HG11 VAL 9 -21.120 4.976 4.043 68 HG12 VAL 9 HG12 VAL 9 -19.550 5.053 3.245 69 HG13 VAL 9 HG13 VAL 9 -19.680 5.393 4.970 70 HG21 VAL 9 HG21 VAL 9 -20.087 3.600 6.574 71 HG22 VAL 9 HG22 VAL 9 -20.193 1.921 6.047 72 HG23 VAL 9 HG23 VAL 9 -21.530 3.028 5.739 73 H ASN 10 H ASN 10 -21.006 3.358 1.093 74 HA ASN 10 HA ASN 10 -23.689 4.230 1.844 75 HB2 ASN 10 HB2 ASN 10 -22.150 5.740 0.582 76 HB3 ASN 10 HB3 ASN 10 -22.153 4.585 -0.734 77 HD21 ASN 10 HD21 ASN 10 -22.884 6.170 -2.107 78 HD22 ASN 10 HD22 ASN 10 -24.525 6.680 -2.108 79 H THR 11 H THR 11 -22.093 1.732 0.104 80 HA THR 11 HA THR 11 -24.013 1.181 -1.853 81 HB THR 11 HB THR 11 -22.896 -1.131 -1.852 82 HG1 THR 11 HG1 THR 11 -20.750 0.068 -0.555 83 HG21 THR 11 HG21 THR 11 -22.444 0.658 -3.465 84 HG22 THR 11 HG22 THR 11 -20.986 -0.255 -3.072 85 HG23 THR 11 HG23 THR 11 -21.247 1.338 -2.363 86 HA PRO 12 HA PRO 12 -27.022 -0.967 0.624 87 HB2 PRO 12 HB2 PRO 12 -28.337 -1.706 -1.852 88 HB3 PRO 12 HB3 PRO 12 -28.861 -0.550 -0.634 89 HG2 PRO 12 HG2 PRO 12 -28.065 0.180 -3.123 90 HG3 PRO 12 HG3 PRO 12 -27.887 1.221 -1.701 91 HD2 PRO 12 HD2 PRO 12 -25.857 -0.511 -3.049 92 HD3 PRO 12 HD3 PRO 12 -25.696 1.140 -2.421 93 H GLY 13 H GLY 13 -24.950 -2.486 0.692 94 HA2 GLY 13 HA2 GLY 13 -24.487 -4.738 0.993 95 HA3 GLY 13 HA3 GLY 13 -26.043 -5.113 0.266 96 H PHE 14 H PHE 14 -23.288 -3.307 -1.025 97 HA PHE 14 HA PHE 14 -23.376 -4.594 -3.544 98 HB2 PHE 14 HB2 PHE 14 -21.764 -2.565 -2.264 99 HB3 PHE 14 HB3 PHE 14 -20.769 -3.627 -3.258 100 HD1 PHE 14 HD1 PHE 14 -24.198 -2.169 -3.596 101 HD2 PHE 14 HD2 PHE 14 -20.335 -2.694 -5.300 102 HE1 PHE 14 HE1 PHE 14 -24.917 -0.928 -5.594 103 HE2 PHE 14 HE2 PHE 14 -21.046 -1.455 -7.304 104 HZ PHE 14 HZ PHE 14 -23.341 -0.568 -7.448 105 H SER 15 H SER 15 -20.974 -5.316 -4.330 106 HA SER 15 HA SER 15 -20.596 -7.942 -3.437 107 HB2 SER 15 HB2 SER 15 -18.599 -6.169 -4.862 108 HB3 SER 15 HB3 SER 15 -18.637 -7.934 -4.868 109 HG SER 15 HG SER 15 -21.017 -6.886 -5.653 110 H THR 16 H THR 16 -18.558 -8.816 -2.517 111 HA THR 16 HA THR 16 -18.044 -7.711 0.004 112 HB THR 16 HB THR 16 -16.232 -9.671 -1.413 113 HG1 THR 16 HG1 THR 16 -18.796 -10.029 -0.239 114 HG21 THR 16 HG21 THR 16 -15.445 -8.849 0.765 115 HG22 THR 16 HG22 THR 16 -15.875 -10.557 0.842 116 HG23 THR 16 HG23 THR 16 -16.971 -9.342 1.501 117 H LEU 17 H LEU 17 -16.657 -7.015 -3.046 118 HA LEU 17 HA LEU 17 -14.145 -6.060 -2.444 119 HB2 LEU 17 HB2 LEU 17 -16.190 -4.851 -4.305 120 HB3 LEU 17 HB3 LEU 17 -14.484 -4.452 -4.302 121 HG LEU 17 HG LEU 17 -15.649 -7.163 -4.940 122 HD11 LEU 17 HD11 LEU 17 -14.379 -5.094 -6.726 123 HD12 LEU 17 HD12 LEU 17 -16.093 -5.508 -6.675 124 HD13 LEU 17 HD13 LEU 17 -14.913 -6.701 -7.216 125 HD21 LEU 17 HD21 LEU 17 -13.351 -7.721 -5.625 126 HD22 LEU 17 HD22 LEU 17 -13.470 -7.375 -3.900 127 HD23 LEU 17 HD23 LEU 17 -12.802 -6.168 -4.999 128 H VAL 18 H VAL 18 -17.288 -4.530 -1.807 129 HA VAL 18 HA VAL 18 -16.021 -2.045 -0.957 130 HB VAL 18 HB VAL 18 -18.174 -1.177 -0.577 131 HG11 VAL 18 HG11 VAL 18 -18.372 -3.148 -2.838 132 HG12 VAL 18 HG12 VAL 18 -17.747 -1.499 -2.916 133 HG13 VAL 18 HG13 VAL 18 -19.458 -1.780 -2.596 134 HG21 VAL 18 HG21 VAL 18 -19.050 -2.954 0.863 135 HG22 VAL 18 HG22 VAL 18 -19.271 -3.990 -0.555 136 HG23 VAL 18 HG23 VAL 18 -20.217 -2.510 -0.392 137 H THR 19 H THR 19 -17.114 -4.996 0.426 138 HA THR 19 HA THR 19 -17.175 -3.969 3.100 139 HB THR 19 HB THR 19 -17.105 -6.891 2.469 140 HG1 THR 19 HG1 THR 19 -19.406 -6.699 2.127 141 HG21 THR 19 HG21 THR 19 -17.141 -6.266 4.805 142 HG22 THR 19 HG22 THR 19 -18.723 -6.918 4.371 143 HG23 THR 19 HG23 THR 19 -18.498 -5.174 4.531 144 H ALA 20 H ALA 20 -14.868 -5.451 1.013 145 HA ALA 20 HA ALA 20 -13.094 -6.474 2.925 146 HB1 ALA 20 HB1 ALA 20 -13.090 -6.961 0.484 147 HB2 ALA 20 HB2 ALA 20 -11.507 -6.623 1.183 148 HB3 ALA 20 HB3 ALA 20 -12.337 -5.385 0.238 149 H VAL 21 H VAL 21 -13.384 -3.210 1.580 150 HA VAL 21 HA VAL 21 -11.181 -2.247 3.175 151 HB VAL 21 HB VAL 21 -11.492 -0.899 1.296 152 HG11 VAL 21 HG11 VAL 21 -13.709 -1.674 0.604 153 HG12 VAL 21 HG12 VAL 21 -13.662 0.090 0.635 154 HG13 VAL 21 HG13 VAL 21 -14.448 -0.793 1.942 155 HG21 VAL 21 HG21 VAL 21 -12.265 1.285 2.187 156 HG22 VAL 21 HG22 VAL 21 -11.130 0.446 3.253 157 HG23 VAL 21 HG23 VAL 21 -12.862 0.438 3.620 158 H LYS 22 H LYS 22 -14.681 -2.405 3.501 159 HA LYS 22 HA LYS 22 -14.935 -0.780 5.766 160 HB2 LYS 22 HB2 LYS 22 -16.594 -2.824 4.415 161 HB3 LYS 22 HB3 LYS 22 -17.004 -2.493 6.079 162 HG2 LYS 22 HG2 LYS 22 -17.232 -0.139 5.508 163 HG3 LYS 22 HG3 LYS 22 -16.874 -0.494 3.838 164 HD2 LYS 22 HD2 LYS 22 -19.206 -1.586 5.384 165 HD3 LYS 22 HD3 LYS 22 -19.263 -0.215 4.281 166 HE2 LYS 22 HE2 LYS 22 -18.428 -1.731 2.486 167 HE3 LYS 22 HE3 LYS 22 -18.624 -3.061 3.609 168 HZ1 LYS 22 HZ1 LYS 22 -20.542 -2.924 2.218 169 HZ2 LYS 22 HZ2 LYS 22 -20.764 -1.290 2.591 170 HZ3 LYS 22 HZ3 LYS 22 -20.991 -2.467 3.782 171 H VAL 23 H VAL 23 -14.365 -4.226 5.394 172 HA VAL 23 HA VAL 23 -14.537 -4.834 8.192 173 HB VAL 23 HB VAL 23 -14.989 -6.556 6.511 174 HG11 VAL 23 HG11 VAL 23 -13.201 -7.541 5.186 175 HG12 VAL 23 HG12 VAL 23 -12.055 -6.365 5.834 176 HG13 VAL 23 HG13 VAL 23 -13.389 -5.821 4.810 177 HG21 VAL 23 HG21 VAL 23 -12.545 -7.176 8.150 178 HG22 VAL 23 HG22 VAL 23 -13.703 -8.350 7.518 179 HG23 VAL 23 HG23 VAL 23 -14.205 -7.183 8.744 180 H ALA 24 H ALA 24 -12.007 -4.065 5.935 181 HA ALA 24 HA ALA 24 -9.837 -4.619 7.698 182 HB1 ALA 24 HB1 ALA 24 -9.858 -2.900 5.247 183 HB2 ALA 24 HB2 ALA 24 -9.660 -4.652 5.248 184 HB3 ALA 24 HB3 ALA 24 -8.455 -3.626 6.029 185 H ASN 25 H ASN 25 -12.117 -2.269 7.671 186 HA ASN 25 HA ASN 25 -12.510 -0.389 8.769 187 HB2 ASN 25 HB2 ASN 25 -11.475 -0.016 10.753 188 HB3 ASN 25 HB3 ASN 25 -10.966 -1.663 10.444 189 HD21 ASN 25 HD21 ASN 25 -9.842 1.695 10.012 190 HD22 ASN 25 HD22 ASN 25 -8.172 1.327 10.258 191 H LEU 26 H LEU 26 -10.610 -0.527 6.253 192 HA LEU 26 HA LEU 26 -9.325 2.052 6.494 193 HB2 LEU 26 HB2 LEU 26 -9.278 -0.090 4.454 194 HB3 LEU 26 HB3 LEU 26 -8.864 1.544 3.960 195 HG LEU 26 HG LEU 26 -7.177 1.554 5.856 196 HD11 LEU 26 HD11 LEU 26 -8.068 -1.279 5.919 197 HD12 LEU 26 HD12 LEU 26 -7.648 -0.196 7.250 198 HD13 LEU 26 HD13 LEU 26 -6.377 -0.898 6.237 199 HD21 LEU 26 HD21 LEU 26 -6.490 1.408 3.561 200 HD22 LEU 26 HD22 LEU 26 -6.858 -0.321 3.528 201 HD23 LEU 26 HD23 LEU 26 -5.531 0.283 4.527 202 H VAL 27 H VAL 27 -12.387 1.399 6.113 203 HA VAL 27 HA VAL 27 -13.236 2.772 3.849 204 HB VAL 27 HB VAL 27 -14.437 1.773 6.245 205 HG11 VAL 27 HG11 VAL 27 -15.522 4.449 5.385 206 HG12 VAL 27 HG12 VAL 27 -14.764 4.080 6.937 207 HG13 VAL 27 HG13 VAL 27 -16.305 3.333 6.505 208 HG21 VAL 27 HG21 VAL 27 -15.513 2.557 3.543 209 HG22 VAL 27 HG22 VAL 27 -16.443 1.686 4.763 210 HG23 VAL 27 HG23 VAL 27 -14.996 0.947 4.070 211 H GLU 28 H GLU 28 -12.300 3.966 7.004 212 HA GLU 28 HA GLU 28 -12.783 6.723 6.260 213 HB2 GLU 28 HB2 GLU 28 -11.600 7.092 8.529 214 HB3 GLU 28 HB3 GLU 28 -13.196 6.355 8.503 215 HG2 GLU 28 HG2 GLU 28 -12.281 4.180 8.828 216 HG3 GLU 28 HG3 GLU 28 -10.637 4.782 8.617 217 H ALA 29 H ALA 29 -10.173 4.504 6.080 218 HA ALA 29 HA ALA 29 -8.070 6.404 6.215 219 HB1 ALA 29 HB1 ALA 29 -7.792 4.038 6.854 220 HB2 ALA 29 HB2 ALA 29 -6.605 4.573 5.667 221 HB3 ALA 29 HB3 ALA 29 -7.977 3.590 5.159 222 H LEU 30 H LEU 30 -9.365 4.431 3.550 223 HA LEU 30 HA LEU 30 -7.840 5.460 1.478 224 HB2 LEU 30 HB2 LEU 30 -10.694 4.617 1.162 225 HB3 LEU 30 HB3 LEU 30 -9.426 4.561 -0.039 226 HG LEU 30 HG LEU 30 -9.726 2.813 2.384 227 HD11 LEU 30 HD11 LEU 30 -11.127 2.278 0.456 228 HD12 LEU 30 HD12 LEU 30 -9.907 1.037 0.742 229 HD13 LEU 30 HD13 LEU 30 -9.687 2.204 -0.562 230 HD21 LEU 30 HD21 LEU 30 -7.713 1.649 1.615 231 HD22 LEU 30 HD22 LEU 30 -7.374 3.304 2.126 232 HD23 LEU 30 HD23 LEU 30 -7.453 2.911 0.407 233 H GLN 31 H GLN 31 -10.219 7.042 3.235 234 HA GLN 31 HA GLN 31 -11.493 8.641 1.296 235 HB2 GLN 31 HB2 GLN 31 -11.045 9.213 4.220 236 HB3 GLN 31 HB3 GLN 31 -12.231 9.990 3.180 237 HG2 GLN 31 HG2 GLN 31 -12.235 7.040 3.497 238 HG3 GLN 31 HG3 GLN 31 -12.925 8.065 4.744 239 HE21 GLN 31 HE21 GLN 31 -13.993 6.119 2.756 240 HE22 GLN 31 HE22 GLN 31 -15.346 6.961 2.094 241 H SER 32 H SER 32 -8.333 8.765 2.488 242 HA SER 32 HA SER 32 -7.758 11.481 2.643 243 HB2 SER 32 HB2 SER 32 -5.408 10.700 2.040 244 HB3 SER 32 HB3 SER 32 -6.161 9.913 3.430 245 HG SER 32 HG SER 32 -6.253 8.866 0.796 246 HA PRO 33 HA PRO 33 -8.342 12.431 -1.712 247 HB2 PRO 33 HB2 PRO 33 -8.364 15.108 -1.410 248 HB3 PRO 33 HB3 PRO 33 -9.755 14.094 -1.018 249 HG2 PRO 33 HG2 PRO 33 -7.793 15.416 0.772 250 HG3 PRO 33 HG3 PRO 33 -9.505 15.059 1.047 251 HD2 PRO 33 HD2 PRO 33 -7.343 13.603 2.048 252 HD3 PRO 33 HD3 PRO 33 -9.025 13.050 1.976 253 H GLY 34 H GLY 34 -5.710 13.221 0.297 254 HA2 GLY 34 HA2 GLY 34 -4.294 14.962 -1.448 255 HA3 GLY 34 HA3 GLY 34 -3.647 14.174 -0.023 256 HA PRO 35 HA PRO 35 -1.375 12.448 -3.580 257 HB2 PRO 35 HB2 PRO 35 0.954 12.101 -2.225 258 HB3 PRO 35 HB3 PRO 35 0.488 13.620 -2.992 259 HG2 PRO 35 HG2 PRO 35 0.438 12.832 -0.136 260 HG3 PRO 35 HG3 PRO 35 0.737 14.418 -0.860 261 HD2 PRO 35 HD2 PRO 35 -1.630 13.626 0.310 262 HD3 PRO 35 HD3 PRO 35 -1.467 14.951 -0.854 263 H PHE 36 H PHE 36 -0.003 10.394 -3.767 264 HA PHE 36 HA PHE 36 -0.951 8.340 -1.918 265 HB2 PHE 36 HB2 PHE 36 -1.580 8.485 -4.864 266 HB3 PHE 36 HB3 PHE 36 -1.574 6.962 -3.984 267 HD1 PHE 36 HD1 PHE 36 -2.957 7.034 -1.708 268 HD2 PHE 36 HD2 PHE 36 -3.604 9.564 -5.067 269 HE1 PHE 36 HE1 PHE 36 -5.271 7.420 -0.968 270 HE2 PHE 36 HE2 PHE 36 -5.917 9.954 -4.332 271 HZ PHE 36 HZ PHE 36 -6.753 8.883 -2.280 272 H THR 37 H THR 37 0.633 7.019 -1.396 273 HA THR 37 HA THR 37 2.882 6.658 -3.246 274 HB THR 37 HB THR 37 2.670 6.342 -0.245 275 HG1 THR 37 HG1 THR 37 3.359 8.325 -0.443 276 HG21 THR 37 HG21 THR 37 4.015 4.486 -1.097 277 HG22 THR 37 HG22 THR 37 5.040 5.669 -0.282 278 HG23 THR 37 HG23 THR 37 4.992 5.609 -2.044 279 H VAL 38 H VAL 38 3.103 4.788 -4.249 280 HA VAL 38 HA VAL 38 1.535 2.480 -3.289 281 HB VAL 38 HB VAL 38 2.429 3.044 -6.121 282 HG11 VAL 38 HG11 VAL 38 2.158 0.677 -5.667 283 HG12 VAL 38 HG12 VAL 38 0.876 1.256 -6.731 284 HG13 VAL 38 HG13 VAL 38 0.542 0.971 -5.024 285 HG21 VAL 38 HG21 VAL 38 -0.314 3.366 -4.920 286 HG22 VAL 38 HG22 VAL 38 0.121 3.612 -6.611 287 HG23 VAL 38 HG23 VAL 38 0.768 4.684 -5.369 288 H PHE 39 H PHE 39 2.613 0.645 -2.807 289 HA PHE 39 HA PHE 39 5.426 0.415 -3.609 290 HB2 PHE 39 HB2 PHE 39 3.881 -1.332 -1.670 291 HB3 PHE 39 HB3 PHE 39 5.611 -1.383 -1.970 292 HD1 PHE 39 HD1 PHE 39 7.013 0.605 -1.341 293 HD2 PHE 39 HD2 PHE 39 2.978 0.136 -0.070 294 HE1 PHE 39 HE1 PHE 39 7.393 2.239 0.459 295 HE2 PHE 39 HE2 PHE 39 3.353 1.768 1.732 296 HZ PHE 39 HZ PHE 39 5.563 2.820 1.999 297 H ALA 40 H ALA 40 5.852 -0.722 -5.374 298 HA ALA 40 HA ALA 40 3.705 -2.428 -6.442 299 HB1 ALA 40 HB1 ALA 40 4.402 -0.429 -7.757 300 HB2 ALA 40 HB2 ALA 40 4.558 -1.956 -8.625 301 HB3 ALA 40 HB3 ALA 40 5.989 -1.175 -7.952 302 HA PRO 41 HA PRO 41 6.567 -5.795 -5.635 303 HB2 PRO 41 HB2 PRO 41 4.925 -7.782 -6.505 304 HB3 PRO 41 HB3 PRO 41 4.800 -7.055 -4.895 305 HG2 PRO 41 HG2 PRO 41 3.168 -6.538 -7.347 306 HG3 PRO 41 HG3 PRO 41 2.651 -6.632 -5.655 307 HD2 PRO 41 HD2 PRO 41 3.016 -4.279 -6.981 308 HD3 PRO 41 HD3 PRO 41 3.231 -4.451 -5.228 309 H ASN 42 H ASN 42 8.158 -6.295 -6.924 310 HA ASN 42 HA ASN 42 8.029 -5.961 -9.760 311 HB2 ASN 42 HB2 ASN 42 10.297 -5.815 -9.553 312 HB3 ASN 42 HB3 ASN 42 9.979 -5.803 -7.836 313 HD21 ASN 42 HD21 ASN 42 10.038 -7.812 -6.735 314 HD22 ASN 42 HD22 ASN 42 11.206 -8.986 -7.233 315 H ASP 43 H ASP 43 9.218 -7.874 -11.088 316 HA ASP 43 HA ASP 43 7.303 -9.913 -11.237 317 HB2 ASP 43 HB2 ASP 43 10.073 -9.705 -12.410 318 HB3 ASP 43 HB3 ASP 43 8.995 -11.057 -12.749 319 H ASP 44 H ASP 44 10.358 -9.819 -9.493 320 HA ASP 44 HA ASP 44 10.407 -12.674 -9.077 321 HB2 ASP 44 HB2 ASP 44 12.473 -11.190 -9.235 322 HB3 ASP 44 HB3 ASP 44 12.061 -10.630 -7.624 323 H ALA 45 H ALA 45 9.035 -9.928 -7.688 324 HA ALA 45 HA ALA 45 8.671 -10.917 -5.022 325 HB1 ALA 45 HB1 ALA 45 7.243 -8.713 -6.493 326 HB2 ALA 45 HB2 ALA 45 8.727 -8.523 -5.563 327 HB3 ALA 45 HB3 ALA 45 7.231 -8.984 -4.749 328 H PHE 46 H PHE 46 6.740 -10.630 -7.947 329 HA PHE 46 HA PHE 46 4.417 -11.951 -7.112 330 HB2 PHE 46 HB2 PHE 46 4.818 -10.684 -9.264 331 HB3 PHE 46 HB3 PHE 46 5.703 -12.083 -9.843 332 HD1 PHE 46 HD1 PHE 46 2.372 -10.992 -8.634 333 HD2 PHE 46 HD2 PHE 46 4.590 -13.871 -10.850 334 HE1 PHE 46 HE1 PHE 46 0.272 -11.986 -9.438 335 HE2 PHE 46 HE2 PHE 46 2.490 -14.866 -11.660 336 HZ PHE 46 HZ PHE 46 0.328 -13.926 -10.953 337 H ALA 47 H ALA 47 7.566 -13.027 -7.832 338 HA ALA 47 HA ALA 47 6.877 -15.817 -8.187 339 HB1 ALA 47 HB1 ALA 47 9.555 -14.441 -8.057 340 HB2 ALA 47 HB2 ALA 47 8.670 -14.882 -9.518 341 HB3 ALA 47 HB3 ALA 47 9.291 -16.141 -8.452 342 H LYS 48 H LYS 48 7.846 -13.655 -5.690 343 HA LYS 48 HA LYS 48 8.775 -15.450 -3.727 344 HB2 LYS 48 HB2 LYS 48 7.135 -12.964 -3.325 345 HB3 LYS 48 HB3 LYS 48 8.066 -13.827 -2.116 346 HG2 LYS 48 HG2 LYS 48 9.338 -12.711 -4.544 347 HG3 LYS 48 HG3 LYS 48 9.076 -11.754 -3.085 348 HD2 LYS 48 HD2 LYS 48 10.408 -14.417 -2.969 349 HD3 LYS 48 HD3 LYS 48 11.328 -12.952 -3.345 350 HE2 LYS 48 HE2 LYS 48 10.516 -11.968 -1.224 351 HE3 LYS 48 HE3 LYS 48 9.710 -13.492 -0.856 352 HZ1 LYS 48 HZ1 LYS 48 12.633 -13.148 -1.253 353 HZ2 LYS 48 HZ2 LYS 48 11.851 -14.590 -0.852 354 HZ3 LYS 48 HZ3 LYS 48 11.860 -13.303 0.244 355 H LEU 49 H LEU 49 5.629 -14.391 -4.731 356 HA LEU 49 HA LEU 49 4.080 -14.587 -2.616 357 HB2 LEU 49 HB2 LEU 49 3.314 -15.712 -5.264 358 HB3 LEU 49 HB3 LEU 49 2.246 -15.335 -3.920 359 HG LEU 49 HG LEU 49 3.989 -13.272 -5.247 360 HD11 LEU 49 HD11 LEU 49 1.952 -12.480 -6.314 361 HD12 LEU 49 HD12 LEU 49 1.075 -13.875 -5.681 362 HD13 LEU 49 HD13 LEU 49 2.370 -14.106 -6.855 363 HD21 LEU 49 HD21 LEU 49 2.361 -11.771 -4.100 364 HD22 LEU 49 HD22 LEU 49 3.404 -12.695 -3.022 365 HD23 LEU 49 HD23 LEU 49 1.730 -13.190 -3.267 366 HA PRO 50 HA PRO 50 4.564 -18.832 -1.250 367 HB2 PRO 50 HB2 PRO 50 4.728 -18.157 1.332 368 HB3 PRO 50 HB3 PRO 50 6.086 -17.886 0.234 369 HG2 PRO 50 HG2 PRO 50 4.117 -15.933 1.329 370 HG3 PRO 50 HG3 PRO 50 5.837 -15.713 0.971 371 HD2 PRO 50 HD2 PRO 50 3.677 -14.946 -0.693 372 HD3 PRO 50 HD3 PRO 50 5.395 -15.042 -1.168 373 H ASP 51 H ASP 51 2.327 -19.126 -2.020 374 HA ASP 51 HA ASP 51 0.136 -19.676 -1.724 375 HB2 ASP 51 HB2 ASP 51 0.732 -19.437 1.237 376 HB3 ASP 51 HB3 ASP 51 -0.698 -20.183 0.536 377 H GLY 52 H GLY 52 1.234 -16.820 -1.591 378 HA2 GLY 52 HA2 GLY 52 0.040 -14.814 -1.813 379 HA3 GLY 52 HA3 GLY 52 -1.311 -15.549 -0.962 380 H THR 53 H THR 53 1.593 -13.726 -0.672 381 HA THR 53 HA THR 53 2.022 -13.721 2.091 382 HB THR 53 HB THR 53 2.277 -11.476 0.101 383 HG1 THR 53 HG1 THR 53 4.584 -12.138 0.304 384 HG21 THR 53 HG21 THR 53 3.332 -11.729 2.911 385 HG22 THR 53 HG22 THR 53 2.271 -10.474 2.255 386 HG23 THR 53 HG23 THR 53 3.958 -10.566 1.742 387 H ILE 54 H ILE 54 0.045 -11.647 0.044 388 HA ILE 54 HA ILE 54 -0.950 -9.971 2.020 389 HB ILE 54 HB ILE 54 -1.654 -10.580 -0.779 390 HG12 ILE 54 HG12 ILE 54 -1.573 -8.081 -0.871 391 HG13 ILE 54 HG13 ILE 54 -1.272 -8.084 0.867 392 HG21 ILE 54 HG21 ILE 54 -3.612 -9.122 0.985 393 HG22 ILE 54 HG22 ILE 54 -3.862 -10.720 0.281 394 HG23 ILE 54 HG23 ILE 54 -3.714 -9.306 -0.767 395 HD11 ILE 54 HD11 ILE 54 0.519 -9.275 -1.246 396 HD12 ILE 54 HD12 ILE 54 0.812 -9.318 0.494 397 HD13 ILE 54 HD13 ILE 54 0.789 -7.774 -0.359 398 H THR 55 H THR 55 -1.800 -13.170 1.148 399 HA THR 55 HA THR 55 -4.360 -13.342 2.245 400 HB THR 55 HB THR 55 -2.215 -15.425 2.080 401 HG1 THR 55 HG1 THR 55 -4.185 -14.444 0.368 402 HG21 THR 55 HG21 THR 55 -5.169 -15.868 2.508 403 HG22 THR 55 HG22 THR 55 -3.992 -15.872 3.820 404 HG23 THR 55 HG23 THR 55 -3.888 -17.083 2.533 405 H SER 56 H SER 56 -1.219 -13.361 3.839 406 HA SER 56 HA SER 56 -2.381 -14.043 6.389 407 HB2 SER 56 HB2 SER 56 -0.103 -14.797 5.867 408 HB3 SER 56 HB3 SER 56 0.408 -13.123 5.663 409 HG SER 56 HG SER 56 0.921 -13.391 7.707 410 H LEU 57 H LEU 57 -1.663 -11.364 4.497 411 HA LEU 57 HA LEU 57 -1.639 -9.371 6.533 412 HB2 LEU 57 HB2 LEU 57 -1.549 -9.376 3.604 413 HB3 LEU 57 HB3 LEU 57 -1.944 -7.886 4.414 414 HG LEU 57 HG LEU 57 0.176 -7.907 5.578 415 HD11 LEU 57 HD11 LEU 57 0.723 -10.506 4.159 416 HD12 LEU 57 HD12 LEU 57 0.475 -10.293 5.892 417 HD13 LEU 57 HD13 LEU 57 1.892 -9.590 5.110 418 HD21 LEU 57 HD21 LEU 57 1.651 -7.521 3.733 419 HD22 LEU 57 HD22 LEU 57 0.034 -6.979 3.280 420 HD23 LEU 57 HD23 LEU 57 0.654 -8.514 2.670 421 H VAL 58 H VAL 58 -4.004 -11.017 4.743 422 HA VAL 58 HA VAL 58 -6.068 -9.012 5.166 423 HB VAL 58 HB VAL 58 -5.933 -10.340 3.028 424 HG11 VAL 58 HG11 VAL 58 -5.375 -12.508 4.173 425 HG12 VAL 58 HG12 VAL 58 -6.659 -12.610 2.967 426 HG13 VAL 58 HG13 VAL 58 -7.062 -12.591 4.683 427 HG21 VAL 58 HG21 VAL 58 -8.311 -10.582 2.799 428 HG22 VAL 58 HG22 VAL 58 -7.978 -9.179 3.818 429 HG23 VAL 58 HG23 VAL 58 -8.509 -10.692 4.549 430 H GLN 59 H GLN 59 -4.832 -11.864 6.667 431 HA GLN 59 HA GLN 59 -7.214 -12.898 7.686 432 HB2 GLN 59 HB2 GLN 59 -4.428 -13.178 8.759 433 HB3 GLN 59 HB3 GLN 59 -5.793 -14.203 9.173 434 HG2 GLN 59 HG2 GLN 59 -5.256 -13.917 6.321 435 HG3 GLN 59 HG3 GLN 59 -4.042 -14.761 7.242 436 HE21 GLN 59 HE21 GLN 59 -5.836 -15.734 5.192 437 HE22 GLN 59 HE22 GLN 59 -6.744 -17.021 5.906 438 H ASN 60 H ASN 60 -4.882 -10.723 9.132 439 HA ASN 60 HA ASN 60 -7.007 -9.613 10.668 440 HB2 ASN 60 HB2 ASN 60 -6.391 -11.733 11.818 441 HB3 ASN 60 HB3 ASN 60 -4.836 -11.012 12.188 442 HD21 ASN 60 HD21 ASN 60 -5.231 -11.274 14.370 443 HD22 ASN 60 HD22 ASN 60 -6.313 -10.247 15.247 444 HA PRO 61 HA PRO 61 -3.859 -6.348 10.778 445 HB2 PRO 61 HB2 PRO 61 -2.644 -6.390 8.151 446 HB3 PRO 61 HB3 PRO 61 -1.854 -6.326 9.728 447 HG2 PRO 61 HG2 PRO 61 -1.688 -8.481 8.093 448 HG3 PRO 61 HG3 PRO 61 -1.647 -8.616 9.858 449 HD2 PRO 61 HD2 PRO 61 -3.985 -9.006 7.997 450 HD3 PRO 61 HD3 PRO 61 -3.434 -10.041 9.338 451 HA PRO 62 HA PRO 62 -7.004 -4.224 8.444 452 HB2 PRO 62 HB2 PRO 62 -5.318 -1.836 8.648 453 HB3 PRO 62 HB3 PRO 62 -6.959 -2.119 9.254 454 HG2 PRO 62 HG2 PRO 62 -4.879 -2.004 10.903 455 HG3 PRO 62 HG3 PRO 62 -6.206 -3.128 11.193 456 HD2 PRO 62 HD2 PRO 62 -3.486 -3.656 10.036 457 HD3 PRO 62 HD3 PRO 62 -4.421 -4.611 11.210 458 H GLN 63 H GLN 63 -3.763 -4.458 7.470 459 HA GLN 63 HA GLN 63 -3.366 -2.675 5.452 460 HB2 GLN 63 HB2 GLN 63 -1.837 -4.524 6.440 461 HB3 GLN 63 HB3 GLN 63 -2.377 -5.423 5.014 462 HG2 GLN 63 HG2 GLN 63 -1.894 -3.205 3.801 463 HG3 GLN 63 HG3 GLN 63 -0.831 -2.894 5.178 464 HE21 GLN 63 HE21 GLN 63 -1.439 -4.646 2.364 465 HE22 GLN 63 HE22 GLN 63 0.070 -5.429 2.258 466 H LEU 64 H LEU 64 -5.283 -5.541 5.235 467 HA LEU 64 HA LEU 64 -5.553 -6.031 2.585 468 HB2 LEU 64 HB2 LEU 64 -6.757 -7.410 3.985 469 HB3 LEU 64 HB3 LEU 64 -7.495 -6.076 4.848 470 HG LEU 64 HG LEU 64 -8.670 -5.566 2.635 471 HD11 LEU 64 HD11 LEU 64 -7.426 -6.971 1.162 472 HD12 LEU 64 HD12 LEU 64 -9.084 -7.569 1.232 473 HD13 LEU 64 HD13 LEU 64 -7.808 -8.400 2.118 474 HD21 LEU 64 HD21 LEU 64 -10.529 -6.917 3.200 475 HD22 LEU 64 HD22 LEU 64 -9.725 -6.466 4.715 476 HD23 LEU 64 HD23 LEU 64 -9.509 -8.086 4.041 477 H GLY 65 H GLY 65 -7.272 -3.562 4.410 478 HA2 GLY 65 HA2 GLY 65 -9.192 -2.759 2.657 479 HA3 GLY 65 HA3 GLY 65 -8.396 -1.665 3.754 480 H ARG 66 H ARG 66 -5.865 -1.644 2.639 481 HA ARG 66 HA ARG 66 -6.397 0.236 0.538 482 HB2 ARG 66 HB2 ARG 66 -4.589 1.241 1.297 483 HB3 ARG 66 HB3 ARG 66 -4.564 0.037 2.567 484 HG2 ARG 66 HG2 ARG 66 -3.300 -0.755 0.050 485 HG3 ARG 66 HG3 ARG 66 -2.520 0.531 0.944 486 HD2 ARG 66 HD2 ARG 66 -2.840 -1.056 2.979 487 HD3 ARG 66 HD3 ARG 66 -3.011 -2.293 1.731 488 HE ARG 66 HE ARG 66 -0.783 -1.739 0.962 489 HH11 ARG 66 HH11 ARG 66 -1.711 -0.550 4.115 490 HH12 ARG 66 HH12 ARG 66 -0.069 -0.271 4.633 491 HH21 ARG 66 HH21 ARG 66 1.388 -1.378 1.644 492 HH22 ARG 66 HH22 ARG 66 1.684 -0.745 3.229 493 H ILE 67 H ILE 67 -4.919 -2.898 0.879 494 HA ILE 67 HA ILE 67 -3.713 -3.276 -1.557 495 HB ILE 67 HB ILE 67 -5.374 -5.299 -0.066 496 HG12 ILE 67 HG12 ILE 67 -2.460 -4.552 0.243 497 HG13 ILE 67 HG13 ILE 67 -3.742 -4.134 1.369 498 HG21 ILE 67 HG21 ILE 67 -3.071 -5.644 -1.982 499 HG22 ILE 67 HG22 ILE 67 -4.763 -6.037 -2.294 500 HG23 ILE 67 HG23 ILE 67 -3.858 -6.938 -1.076 501 HD11 ILE 67 HD11 ILE 67 -2.680 -6.862 0.749 502 HD12 ILE 67 HD12 ILE 67 -4.136 -6.572 1.690 503 HD13 ILE 67 HD13 ILE 67 -2.581 -5.973 2.269 504 H LEU 68 H LEU 68 -7.135 -3.754 -0.762 505 HA LEU 68 HA LEU 68 -8.065 -5.006 -2.988 506 HB2 LEU 68 HB2 LEU 68 -9.356 -2.903 -1.298 507 HB3 LEU 68 HB3 LEU 68 -10.208 -3.603 -2.652 508 HG LEU 68 HG LEU 68 -10.994 -5.028 -1.128 509 HD11 LEU 68 HD11 LEU 68 -8.216 -6.152 -1.290 510 HD12 LEU 68 HD12 LEU 68 -9.528 -6.453 -2.429 511 HD13 LEU 68 HD13 LEU 68 -9.656 -7.022 -0.764 512 HD21 LEU 68 HD21 LEU 68 -10.113 -5.353 1.092 513 HD22 LEU 68 HD22 LEU 68 -10.092 -3.630 0.692 514 HD23 LEU 68 HD23 LEU 68 -8.598 -4.563 0.630 515 H LYS 69 H LYS 69 -7.873 -1.446 -2.673 516 HA LYS 69 HA LYS 69 -8.839 -1.223 -5.397 517 HB2 LYS 69 HB2 LYS 69 -8.200 0.861 -3.311 518 HB3 LYS 69 HB3 LYS 69 -8.806 1.234 -4.917 519 HG2 LYS 69 HG2 LYS 69 -10.245 -0.427 -2.857 520 HG3 LYS 69 HG3 LYS 69 -10.572 1.269 -3.219 521 HD2 LYS 69 HD2 LYS 69 -11.035 0.573 -5.585 522 HD3 LYS 69 HD3 LYS 69 -10.926 -1.103 -5.047 523 HE2 LYS 69 HE2 LYS 69 -12.860 0.957 -3.994 524 HE3 LYS 69 HE3 LYS 69 -13.246 -0.298 -5.166 525 HZ1 LYS 69 HZ1 LYS 69 -13.938 -0.937 -2.959 526 HZ2 LYS 69 HZ2 LYS 69 -12.367 -0.744 -2.366 527 HZ3 LYS 69 HZ3 LYS 69 -12.702 -1.960 -3.488 528 H TYR 70 H TYR 70 -6.057 0.282 -3.671 529 HA TYR 70 HA TYR 70 -4.662 0.191 -6.264 530 HB2 TYR 70 HB2 TYR 70 -4.579 2.461 -4.281 531 HB3 TYR 70 HB3 TYR 70 -3.680 2.384 -5.792 532 HD1 TYR 70 HD1 TYR 70 -5.043 2.247 -7.965 533 HD2 TYR 70 HD2 TYR 70 -6.732 3.363 -4.222 534 HE1 TYR 70 HE1 TYR 70 -6.936 3.293 -9.136 535 HE2 TYR 70 HE2 TYR 70 -8.629 4.407 -5.383 536 HH TYR 70 HH TYR 70 -9.361 3.854 -8.586 537 H HIS 71 H HIS 71 -4.532 -1.074 -3.286 538 HA HIS 71 HA HIS 71 -3.032 -1.439 -1.630 539 HB2 HIS 71 HB2 HIS 71 -0.912 -2.556 -2.352 540 HB3 HIS 71 HB3 HIS 71 -2.373 -3.262 -3.013 541 HD1 HIS 71 HD1 HIS 71 -2.550 -3.425 -5.512 542 HD2 HIS 71 HD2 HIS 71 0.721 -1.181 -4.275 543 HE1 HIS 71 HE1 HIS 71 -1.162 -3.063 -7.576 544 HE2 HIS 71 HE2 HIS 71 0.733 -1.584 -6.833 545 H VAL 72 H VAL 72 -3.238 1.008 -1.505 546 HA VAL 72 HA VAL 72 -0.656 2.335 -2.030 547 HB VAL 72 HB VAL 72 -2.460 2.892 -3.667 548 HG11 VAL 72 HG11 VAL 72 -4.326 4.298 -2.950 549 HG12 VAL 72 HG12 VAL 72 -3.807 4.135 -1.271 550 HG13 VAL 72 HG13 VAL 72 -4.373 2.721 -2.161 551 HG21 VAL 72 HG21 VAL 72 -1.621 5.209 -1.932 552 HG22 VAL 72 HG22 VAL 72 -2.149 5.282 -3.614 553 HG23 VAL 72 HG23 VAL 72 -0.641 4.470 -3.200 554 H VAL 73 H VAL 73 -0.081 4.045 -0.663 555 HA VAL 73 HA VAL 73 -1.779 4.506 1.697 556 HB VAL 73 HB VAL 73 0.082 3.384 2.637 557 HG11 VAL 73 HG11 VAL 73 2.003 5.162 1.160 558 HG12 VAL 73 HG12 VAL 73 1.495 3.589 0.539 559 HG13 VAL 73 HG13 VAL 73 2.357 3.697 2.076 560 HG21 VAL 73 HG21 VAL 73 -0.504 5.509 3.740 561 HG22 VAL 73 HG22 VAL 73 0.777 6.300 2.803 562 HG23 VAL 73 HG23 VAL 73 1.183 5.039 3.970 563 H ALA 74 H ALA 74 -2.381 6.563 1.952 564 HA ALA 74 HA ALA 74 -1.719 8.575 0.074 565 HB1 ALA 74 HB1 ALA 74 -3.824 8.648 1.223 566 HB2 ALA 74 HB2 ALA 74 -2.900 10.086 1.664 567 HB3 ALA 74 HB3 ALA 74 -3.015 8.727 2.791 568 H GLY 75 H GLY 75 -0.475 10.339 0.204 569 HA2 GLY 75 HA2 GLY 75 1.003 11.815 1.433 570 HA3 GLY 75 HA3 GLY 75 1.431 10.441 2.445 571 H ALA 76 H ALA 76 2.048 12.121 -0.449 572 HA ALA 76 HA ALA 76 3.553 10.258 -1.895 573 HB1 ALA 76 HB1 ALA 76 4.459 12.161 -3.081 574 HB2 ALA 76 HB2 ALA 76 3.913 13.249 -1.806 575 HB3 ALA 76 HB3 ALA 76 2.736 12.396 -2.801 576 H TYR 77 H TYR 77 5.052 9.119 -0.743 577 HA TYR 77 HA TYR 77 7.174 10.701 0.573 578 HB2 TYR 77 HB2 TYR 77 6.892 7.761 1.057 579 HB3 TYR 77 HB3 TYR 77 7.593 9.000 2.078 580 HD1 TYR 77 HD1 TYR 77 5.740 10.815 2.906 581 HD2 TYR 77 HD2 TYR 77 4.977 6.787 1.774 582 HE1 TYR 77 HE1 TYR 77 3.715 10.807 4.305 583 HE2 TYR 77 HE2 TYR 77 2.943 6.767 3.149 584 HH TYR 77 HH TYR 77 1.479 9.484 4.306 585 H LYS 78 H LYS 78 8.808 10.942 -0.944 586 HA LYS 78 HA LYS 78 9.836 9.079 -2.680 587 HB2 LYS 78 HB2 LYS 78 10.938 11.394 -1.129 588 HB3 LYS 78 HB3 LYS 78 11.993 10.399 -2.127 589 HG2 LYS 78 HG2 LYS 78 9.489 11.707 -3.145 590 HG3 LYS 78 HG3 LYS 78 11.085 12.370 -3.318 591 HD2 LYS 78 HD2 LYS 78 11.792 10.306 -4.413 592 HD3 LYS 78 HD3 LYS 78 10.104 9.777 -4.288 593 HE2 LYS 78 HE2 LYS 78 10.248 10.683 -6.400 594 HE3 LYS 78 HE3 LYS 78 9.511 11.914 -5.374 595 HZ1 LYS 78 HZ1 LYS 78 11.218 12.852 -6.859 596 HZ2 LYS 78 HZ2 LYS 78 12.384 11.866 -6.136 597 HZ3 LYS 78 HZ3 LYS 78 11.606 13.061 -5.229 598 H ALA 79 H ALA 79 11.902 7.852 -2.317 599 HA ALA 79 HA ALA 79 11.688 6.139 -0.073 600 HB1 ALA 79 HB1 ALA 79 14.021 6.525 -1.950 601 HB2 ALA 79 HB2 ALA 79 12.691 5.387 -2.171 602 HB3 ALA 79 HB3 ALA 79 13.815 5.182 -0.827 603 H THR 80 H THR 80 13.203 9.166 -0.638 604 HA THR 80 HA THR 80 15.171 8.943 1.457 605 HB THR 80 HB THR 80 15.554 10.549 -0.332 606 HG1 THR 80 HG1 THR 80 16.114 10.974 2.037 607 HG21 THR 80 HG21 THR 80 13.272 11.186 -0.855 608 HG22 THR 80 HG22 THR 80 14.226 12.622 -0.483 609 HG23 THR 80 HG23 THR 80 13.107 11.970 0.714 610 H ASP 81 H ASP 81 11.818 9.914 1.287 611 HA ASP 81 HA ASP 81 11.803 11.308 3.788 612 HB2 ASP 81 HB2 ASP 81 10.177 11.638 1.861 613 HB3 ASP 81 HB3 ASP 81 9.429 10.121 2.341 614 H LEU 82 H LEU 82 10.804 8.100 2.674 615 HA LEU 82 HA LEU 82 9.922 7.058 5.083 616 HB2 LEU 82 HB2 LEU 82 11.143 5.820 2.637 617 HB3 LEU 82 HB3 LEU 82 10.482 4.861 3.947 618 HG LEU 82 HG LEU 82 8.545 4.972 2.872 619 HD11 LEU 82 HD11 LEU 82 8.104 6.660 4.587 620 HD12 LEU 82 HD12 LEU 82 7.159 6.913 3.123 621 HD13 LEU 82 HD13 LEU 82 8.581 7.907 3.437 622 HD21 LEU 82 HD21 LEU 82 8.149 6.257 0.893 623 HD22 LEU 82 HD22 LEU 82 9.748 5.518 0.839 624 HD23 LEU 82 HD23 LEU 82 9.580 7.232 1.225 625 H LYS 83 H LYS 83 13.123 6.641 3.568 626 HA LYS 83 HA LYS 83 14.186 5.093 5.652 627 HB2 LYS 83 HB2 LYS 83 15.113 5.299 3.345 628 HB3 LYS 83 HB3 LYS 83 15.704 6.894 3.793 629 HG2 LYS 83 HG2 LYS 83 17.174 5.985 5.420 630 HG3 LYS 83 HG3 LYS 83 16.467 4.379 5.242 631 HD2 LYS 83 HD2 LYS 83 17.240 4.384 2.867 632 HD3 LYS 83 HD3 LYS 83 18.087 5.896 3.200 633 HE2 LYS 83 HE2 LYS 83 18.554 3.271 4.610 634 HE3 LYS 83 HE3 LYS 83 19.577 3.947 3.346 635 HZ1 LYS 83 HZ1 LYS 83 20.105 5.795 4.772 636 HZ2 LYS 83 HZ2 LYS 83 20.434 4.354 5.591 637 HZ3 LYS 83 HZ3 LYS 83 19.046 5.240 5.967 638 H ARG 84 H ARG 84 14.146 8.564 5.121 639 HA ARG 84 HA ARG 84 15.738 9.520 7.129 640 HB2 ARG 84 HB2 ARG 84 13.799 10.509 5.424 641 HB3 ARG 84 HB3 ARG 84 13.191 10.884 7.023 642 HG2 ARG 84 HG2 ARG 84 14.824 12.379 7.457 643 HG3 ARG 84 HG3 ARG 84 16.031 11.475 6.535 644 HD2 ARG 84 HD2 ARG 84 15.028 12.208 4.469 645 HD3 ARG 84 HD3 ARG 84 13.789 13.100 5.354 646 HE ARG 84 HE ARG 84 16.498 13.857 6.002 647 HH11 ARG 84 HH11 ARG 84 13.772 14.443 3.878 648 HH12 ARG 84 HH12 ARG 84 14.282 16.049 3.465 649 HH21 ARG 84 HH21 ARG 84 17.161 15.967 5.460 650 HH22 ARG 84 HH22 ARG 84 16.207 16.916 4.368 651 H MET 85 H MET 85 12.415 8.425 7.272 652 HA MET 85 HA MET 85 12.128 8.829 10.100 653 HB2 MET 85 HB2 MET 85 10.426 7.279 8.151 654 HB3 MET 85 HB3 MET 85 9.987 7.627 9.810 655 HG2 MET 85 HG2 MET 85 9.974 9.997 9.318 656 HG3 MET 85 HG3 MET 85 10.469 9.666 7.661 657 HE1 MET 85 HE1 MET 85 8.421 11.047 6.673 658 HE2 MET 85 HE2 MET 85 7.970 11.456 8.328 659 HE3 MET 85 HE3 MET 85 6.756 10.828 7.215 660 H GLY 86 H GLY 86 12.831 6.121 7.971 661 HA2 GLY 86 HA2 GLY 86 13.845 4.088 8.527 662 HA3 GLY 86 HA3 GLY 86 13.751 4.530 10.226 663 H ILE 87 H ILE 87 10.820 5.008 8.761 664 HA ILE 87 HA ILE 87 9.700 2.423 8.831 665 HB ILE 87 HB ILE 87 9.969 3.313 11.334 666 HG12 ILE 87 HG12 ILE 87 7.287 2.201 10.528 667 HG13 ILE 87 HG13 ILE 87 8.741 1.228 10.422 668 HG21 ILE 87 HG21 ILE 87 7.395 4.542 10.400 669 HG22 ILE 87 HG22 ILE 87 8.845 5.425 10.884 670 HG23 ILE 87 HG23 ILE 87 7.952 4.474 12.074 671 HD11 ILE 87 HD11 ILE 87 7.590 2.467 12.899 672 HD12 ILE 87 HD12 ILE 87 9.100 1.559 12.827 673 HD13 ILE 87 HD13 ILE 87 7.572 0.759 12.459 674 H VAL 88 H VAL 88 7.474 2.520 8.239 675 HA VAL 88 HA VAL 88 6.615 5.107 7.130 676 HB VAL 88 HB VAL 88 5.620 3.750 5.238 677 HG11 VAL 88 HG11 VAL 88 7.964 3.307 4.221 678 HG12 VAL 88 HG12 VAL 88 8.551 4.068 5.713 679 HG13 VAL 88 HG13 VAL 88 7.481 4.954 4.621 680 HG21 VAL 88 HG21 VAL 88 5.690 1.566 6.282 681 HG22 VAL 88 HG22 VAL 88 7.458 1.649 6.392 682 HG23 VAL 88 HG23 VAL 88 6.663 1.556 4.809 683 H THR 89 H THR 89 4.435 5.564 7.399 684 HA THR 89 HA THR 89 2.902 3.446 8.727 685 HB THR 89 HB THR 89 2.137 6.354 8.816 686 HG1 THR 89 HG1 THR 89 4.316 5.785 9.750 687 HG21 THR 89 HG21 THR 89 0.896 5.583 10.811 688 HG22 THR 89 HG22 THR 89 1.481 3.934 10.526 689 HG23 THR 89 HG23 THR 89 0.402 4.711 9.354 690 H SER 90 H SER 90 1.283 2.616 7.778 691 HA SER 90 HA SER 90 0.659 3.216 5.080 692 HB2 SER 90 HB2 SER 90 -0.485 1.307 7.136 693 HB3 SER 90 HB3 SER 90 -0.974 1.326 5.429 694 HG SER 90 HG SER 90 1.574 0.744 6.536 695 H LEU 91 H LEU 91 -1.711 3.417 4.364 696 HA LEU 91 HA LEU 91 -2.882 5.754 5.297 697 HB2 LEU 91 HB2 LEU 91 -3.275 4.296 3.139 698 HB3 LEU 91 HB3 LEU 91 -4.566 3.581 4.087 699 HG LEU 91 HG LEU 91 -5.798 5.536 4.149 700 HD11 LEU 91 HD11 LEU 91 -4.739 7.705 3.329 701 HD12 LEU 91 HD12 LEU 91 -3.196 6.881 3.591 702 HD13 LEU 91 HD13 LEU 91 -4.308 7.129 4.940 703 HD21 LEU 91 HD21 LEU 91 -4.331 5.546 1.526 704 HD22 LEU 91 HD22 LEU 91 -5.846 6.385 1.849 705 HD23 LEU 91 HD23 LEU 91 -5.782 4.621 1.915 706 H GLU 92 H GLU 92 -3.352 2.415 6.127 707 HA GLU 92 HA GLU 92 -5.630 2.739 7.830 708 HB2 GLU 92 HB2 GLU 92 -4.973 0.340 8.504 709 HB3 GLU 92 HB3 GLU 92 -5.442 0.625 6.822 710 HG2 GLU 92 HG2 GLU 92 -2.562 0.757 7.546 711 HG3 GLU 92 HG3 GLU 92 -3.329 -0.820 7.442 712 H GLY 93 H GLY 93 -2.333 3.269 8.158 713 HA2 GLY 93 HA2 GLY 93 -1.425 4.327 10.077 714 HA3 GLY 93 HA3 GLY 93 -2.625 3.509 11.061 715 H SER 94 H SER 94 -1.333 1.358 8.827 716 HA SER 94 HA SER 94 0.078 -0.008 10.849 717 HB2 SER 94 HB2 SER 94 -0.211 -0.534 7.899 718 HB3 SER 94 HB3 SER 94 0.457 -1.653 9.070 719 HG SER 94 HG SER 94 -1.591 -1.543 10.165 720 H THR 95 H THR 95 2.072 0.495 11.460 721 HA THR 95 HA THR 95 3.901 1.865 9.724 722 HB THR 95 HB THR 95 5.356 1.026 11.926 723 HG1 THR 95 HG1 THR 95 3.785 0.347 13.226 724 HG21 THR 95 HG21 THR 95 5.387 3.264 10.981 725 HG22 THR 95 HG22 THR 95 5.041 3.346 12.709 726 HG23 THR 95 HG23 THR 95 3.737 3.547 11.539 727 H ILE 96 H ILE 96 5.679 1.125 8.778 728 HA ILE 96 HA ILE 96 6.455 -1.687 9.099 729 HB ILE 96 HB ILE 96 5.772 -0.255 6.565 730 HG12 ILE 96 HG12 ILE 96 5.155 -2.758 6.029 731 HG13 ILE 96 HG13 ILE 96 5.210 -2.920 7.779 732 HG21 ILE 96 HG21 ILE 96 8.007 -0.723 6.067 733 HG22 ILE 96 HG22 ILE 96 7.068 -2.012 5.310 734 HG23 ILE 96 HG23 ILE 96 7.925 -2.313 6.822 735 HD11 ILE 96 HD11 ILE 96 2.952 -2.502 7.005 736 HD12 ILE 96 HD12 ILE 96 3.476 -1.001 6.242 737 HD13 ILE 96 HD13 ILE 96 3.531 -1.163 7.997 738 HA PRO 97 HA PRO 97 10.249 0.537 9.810 739 HB2 PRO 97 HB2 PRO 97 11.718 -1.951 9.748 740 HB3 PRO 97 HB3 PRO 97 11.311 -0.944 11.135 741 HG2 PRO 97 HG2 PRO 97 10.251 -3.437 10.640 742 HG3 PRO 97 HG3 PRO 97 9.502 -2.205 11.668 743 HD2 PRO 97 HD2 PRO 97 8.827 -3.041 8.901 744 HD3 PRO 97 HD3 PRO 97 7.777 -2.420 10.191 745 H ILE 98 H ILE 98 11.438 1.533 8.481 746 HA ILE 98 HA ILE 98 12.080 0.390 5.889 747 HB ILE 98 HB ILE 98 12.248 3.197 6.964 748 HG12 ILE 98 HG12 ILE 98 9.991 2.383 6.503 749 HG13 ILE 98 HG13 ILE 98 10.462 3.619 5.341 750 HG21 ILE 98 HG21 ILE 98 14.063 2.842 5.405 751 HG22 ILE 98 HG22 ILE 98 12.831 3.877 4.685 752 HG23 ILE 98 HG23 ILE 98 12.941 2.181 4.217 753 HD11 ILE 98 HD11 ILE 98 10.830 1.992 3.648 754 HD12 ILE 98 HD12 ILE 98 9.247 1.680 4.378 755 HD13 ILE 98 HD13 ILE 98 10.634 0.673 4.801 756 H HIS 99 H HIS 99 13.990 -0.161 5.276 757 HA HIS 99 HA HIS 99 16.352 0.732 6.780 758 HB2 HIS 99 HB2 HIS 99 15.937 -2.054 5.724 759 HB3 HIS 99 HB3 HIS 99 17.404 -1.460 6.468 760 HD1 HIS 99 HD1 HIS 99 14.259 -3.111 7.248 761 HD2 HIS 99 HD2 HIS 99 17.034 -0.782 9.290 762 HE1 HIS 99 HE1 HIS 99 13.787 -3.478 9.688 763 HE2 HIS 99 HE2 HIS 99 15.569 -2.176 10.902 764 H GLY 100 H GLY 100 18.363 -0.024 5.302 765 HA2 GLY 100 HA2 GLY 100 18.002 -0.198 2.540 766 HA3 GLY 100 HA3 GLY 100 18.167 1.503 2.939 767 H ASP 101 H ASP 101 19.792 -1.267 2.100 768 HA ASP 101 HA ASP 101 22.323 -0.537 3.339 769 HB2 ASP 101 HB2 ASP 101 21.819 -2.917 3.036 770 HB3 ASP 101 HB3 ASP 101 21.613 -2.674 1.307 771 H ASN 102 H ASN 102 20.995 -0.885 0.088 772 HA ASN 102 HA ASN 102 22.431 1.546 -0.680 773 HB2 ASN 102 HB2 ASN 102 22.381 -1.064 -2.162 774 HB3 ASN 102 HB3 ASN 102 22.582 0.451 -3.038 775 HD21 ASN 102 HD21 ASN 102 24.426 -1.778 -2.735 776 HD22 ASN 102 HD22 ASN 102 25.859 -1.121 -2.020 777 HA PRO 103 HA PRO 103 18.170 1.491 -2.776 778 HB2 PRO 103 HB2 PRO 103 16.744 -0.718 -3.098 779 HB3 PRO 103 HB3 PRO 103 18.122 -0.403 -4.160 780 HG2 PRO 103 HG2 PRO 103 17.964 -2.169 -1.752 781 HG3 PRO 103 HG3 PRO 103 18.653 -2.522 -3.351 782 HD2 PRO 103 HD2 PRO 103 20.135 -1.713 -1.211 783 HD3 PRO 103 HD3 PRO 103 20.607 -1.425 -2.889 784 H LEU 104 H LEU 104 15.844 1.332 -1.968 785 HA LEU 104 HA LEU 104 15.849 1.493 0.886 786 HB2 LEU 104 HB2 LEU 104 14.467 2.925 -0.681 787 HB3 LEU 104 HB3 LEU 104 13.463 1.519 -0.935 788 HG LEU 104 HG LEU 104 13.120 1.533 1.610 789 HD11 LEU 104 HD11 LEU 104 14.194 4.312 1.171 790 HD12 LEU 104 HD12 LEU 104 14.846 3.075 2.245 791 HD13 LEU 104 HD13 LEU 104 13.276 3.810 2.591 792 HD21 LEU 104 HD21 LEU 104 11.383 2.062 0.036 793 HD22 LEU 104 HD22 LEU 104 12.010 3.701 -0.152 794 HD23 LEU 104 HD23 LEU 104 11.320 3.188 1.392 795 H GLU 105 H GLU 105 14.493 0.339 2.295 796 HA GLU 105 HA GLU 105 13.902 -2.410 1.439 797 HB2 GLU 105 HB2 GLU 105 15.407 -1.558 3.916 798 HB3 GLU 105 HB3 GLU 105 14.845 -3.194 3.607 799 HG2 GLU 105 HG2 GLU 105 16.509 -1.949 1.516 800 HG3 GLU 105 HG3 GLU 105 17.310 -2.351 3.042 801 H VAL 106 H VAL 106 11.810 -2.529 1.647 802 HA VAL 106 HA VAL 106 10.522 -1.188 3.917 803 HB VAL 106 HB VAL 106 9.473 -0.210 2.168 804 HG11 VAL 106 HG11 VAL 106 9.197 -1.183 -0.062 805 HG12 VAL 106 HG12 VAL 106 9.906 -2.691 0.515 806 HG13 VAL 106 HG13 VAL 106 10.879 -1.217 0.471 807 HG21 VAL 106 HG21 VAL 106 7.958 -2.814 2.270 808 HG22 VAL 106 HG22 VAL 106 7.381 -1.346 1.479 809 HG23 VAL 106 HG23 VAL 106 7.645 -1.359 3.227 810 H LYS 107 H LYS 107 9.967 -2.420 5.521 811 HA LYS 107 HA LYS 107 9.504 -4.123 6.859 812 HB2 LYS 107 HB2 LYS 107 7.657 -5.665 6.275 813 HB3 LYS 107 HB3 LYS 107 7.265 -3.971 6.092 814 HG2 LYS 107 HG2 LYS 107 7.626 -4.253 3.627 815 HG3 LYS 107 HG3 LYS 107 7.770 -5.984 3.923 816 HD2 LYS 107 HD2 LYS 107 5.374 -4.279 4.587 817 HD3 LYS 107 HD3 LYS 107 5.506 -5.397 3.228 818 HE2 LYS 107 HE2 LYS 107 5.862 -7.242 4.856 819 HE3 LYS 107 HE3 LYS 107 5.576 -6.092 6.161 820 HZ1 LYS 107 HZ1 LYS 107 3.623 -6.763 4.027 821 HZ2 LYS 107 HZ2 LYS 107 3.350 -5.737 5.348 822 HZ3 LYS 107 HZ3 LYS 107 3.600 -7.390 5.598 823 H ASN 108 H ASN 108 9.525 -5.936 3.800 824 HA ASN 108 HA ASN 108 11.829 -7.433 4.691 825 HB2 ASN 108 HB2 ASN 108 10.639 -9.630 4.339 826 HB3 ASN 108 HB3 ASN 108 10.128 -8.746 5.772 827 HD21 ASN 108 HD21 ASN 108 9.221 -9.868 2.623 828 HD22 ASN 108 HD22 ASN 108 7.531 -9.515 2.760 829 H ALA 109 H ALA 109 10.946 -5.593 2.602 830 HA ALA 109 HA ALA 109 11.510 -7.268 0.262 831 HB1 ALA 109 HB1 ALA 109 10.031 -5.826 -1.066 832 HB2 ALA 109 HB2 ALA 109 9.607 -4.918 0.388 833 HB3 ALA 109 HB3 ALA 109 9.153 -6.624 0.242 834 H THR 110 H THR 110 12.332 -5.895 -1.586 835 HA THR 110 HA THR 110 14.118 -3.816 -0.589 836 HB THR 110 HB THR 110 14.828 -5.902 -2.654 837 HG1 THR 110 HG1 THR 110 15.902 -5.630 -0.017 838 HG21 THR 110 HG21 THR 110 16.460 -3.740 -1.316 839 HG22 THR 110 HG22 THR 110 15.958 -3.787 -3.008 840 HG23 THR 110 HG23 THR 110 17.107 -4.977 -2.396 841 H VAL 111 H VAL 111 14.122 -2.056 -1.790 842 HA VAL 111 HA VAL 111 12.289 -1.858 -3.974 843 HB VAL 111 HB VAL 111 14.036 0.012 -2.486 844 HG11 VAL 111 HG11 VAL 111 13.587 1.829 -4.050 845 HG12 VAL 111 HG12 VAL 111 12.821 0.695 -5.159 846 HG13 VAL 111 HG13 VAL 111 14.546 0.565 -4.816 847 HG21 VAL 111 HG21 VAL 111 11.145 0.018 -3.316 848 HG22 VAL 111 HG22 VAL 111 11.917 1.272 -2.349 849 HG23 VAL 111 HG23 VAL 111 11.791 -0.371 -1.721 850 H LEU 112 H LEU 112 12.634 -2.042 -6.053 851 HA LEU 112 HA LEU 112 15.318 -2.377 -7.111 852 HB2 LEU 112 HB2 LEU 112 12.583 -2.625 -8.355 853 HB3 LEU 112 HB3 LEU 112 14.060 -2.716 -9.283 854 HG LEU 112 HG LEU 112 14.698 -4.667 -7.742 855 HD11 LEU 112 HD11 LEU 112 11.998 -4.003 -6.846 856 HD12 LEU 112 HD12 LEU 112 13.299 -4.864 -6.006 857 HD13 LEU 112 HD13 LEU 112 12.266 -5.720 -7.175 858 HD21 LEU 112 HD21 LEU 112 12.395 -4.908 -9.672 859 HD22 LEU 112 HD22 LEU 112 13.399 -6.242 -9.106 860 HD23 LEU 112 HD23 LEU 112 14.110 -4.953 -10.077 861 H ALA 113 H ALA 113 12.464 -0.386 -7.461 862 HA ALA 113 HA ALA 113 14.088 1.878 -8.308 863 HB1 ALA 113 HB1 ALA 113 12.620 2.367 -10.213 864 HB2 ALA 113 HB2 ALA 113 11.748 0.859 -9.922 865 HB3 ALA 113 HB3 ALA 113 13.442 0.818 -10.412 866 H ALA 114 H ALA 114 13.540 3.392 -6.879 867 HA ALA 114 HA ALA 114 10.703 3.833 -6.358 868 HB1 ALA 114 HB1 ALA 114 11.381 4.368 -3.977 869 HB2 ALA 114 HB2 ALA 114 12.905 3.557 -4.344 870 HB3 ALA 114 HB3 ALA 114 11.382 2.661 -4.425 871 H ASP 115 H ASP 115 10.890 5.960 -4.724 872 HA ASP 115 HA ASP 115 10.991 8.202 -4.797 873 HB2 ASP 115 HB2 ASP 115 13.507 7.790 -6.442 874 HB3 ASP 115 HB3 ASP 115 12.978 9.309 -5.716 875 H ILE 116 H ILE 116 9.628 6.561 -6.678 876 HA ILE 116 HA ILE 116 9.704 7.876 -9.234 877 HB ILE 116 HB ILE 116 7.714 5.831 -8.256 878 HG12 ILE 116 HG12 ILE 116 10.428 5.381 -9.496 879 HG13 ILE 116 HG13 ILE 116 9.900 4.876 -7.905 880 HG21 ILE 116 HG21 ILE 116 7.426 5.326 -10.603 881 HG22 ILE 116 HG22 ILE 116 8.675 6.496 -11.027 882 HG23 ILE 116 HG23 ILE 116 7.156 7.047 -10.313 883 HD11 ILE 116 HD11 ILE 116 9.952 2.999 -9.431 884 HD12 ILE 116 HD12 ILE 116 8.846 3.834 -10.523 885 HD13 ILE 116 HD13 ILE 116 8.297 3.339 -8.922 886 H GLU 117 H GLU 117 8.703 9.775 -9.367 887 HA GLU 117 HA GLU 117 6.626 10.620 -7.637 888 HB2 GLU 117 HB2 GLU 117 7.250 11.711 -10.381 889 HB3 GLU 117 HB3 GLU 117 6.405 12.527 -9.070 890 HG2 GLU 117 HG2 GLU 117 8.452 12.513 -7.739 891 HG3 GLU 117 HG3 GLU 117 9.297 11.687 -9.046 892 H ALA 118 H ALA 118 4.748 9.625 -7.575 893 HA ALA 118 HA ALA 118 3.733 8.214 -9.891 894 HB1 ALA 118 HB1 ALA 118 2.475 7.011 -8.473 895 HB2 ALA 118 HB2 ALA 118 2.006 8.427 -7.532 896 HB3 ALA 118 HB3 ALA 118 3.578 7.674 -7.257 897 H GLU 119 H GLU 119 1.224 8.303 -10.065 898 HA GLU 119 HA GLU 119 0.369 10.562 -11.330 899 HB2 GLU 119 HB2 GLU 119 -1.980 9.730 -10.623 900 HB3 GLU 119 HB3 GLU 119 -0.971 8.675 -11.603 901 HG2 GLU 119 HG2 GLU 119 -0.381 7.355 -9.700 902 HG3 GLU 119 HG3 GLU 119 -1.164 8.482 -8.594 903 H ASN 120 H ASN 120 -0.158 9.763 -7.911 904 HA ASN 120 HA ASN 120 -0.877 12.579 -7.462 905 HB2 ASN 120 HB2 ASN 120 -1.932 10.073 -6.168 906 HB3 ASN 120 HB3 ASN 120 -2.101 11.649 -5.406 907 HD21 ASN 120 HD21 ASN 120 -3.127 9.585 -7.995 908 HD22 ASN 120 HD22 ASN 120 -4.459 10.562 -8.511 909 H GLY 121 H GLY 121 1.293 10.037 -6.702 910 HA2 GLY 121 HA2 GLY 121 2.499 11.698 -4.628 911 HA3 GLY 121 HA3 GLY 121 1.968 10.110 -4.145 912 H ILE 122 H ILE 122 3.248 8.493 -4.413 913 HA ILE 122 HA ILE 122 5.656 8.689 -6.043 914 HB ILE 122 HB ILE 122 5.581 8.259 -3.067 915 HG12 ILE 122 HG12 ILE 122 5.678 10.607 -3.992 916 HG13 ILE 122 HG13 ILE 122 6.982 10.169 -2.889 917 HG21 ILE 122 HG21 ILE 122 7.958 7.767 -3.139 918 HG22 ILE 122 HG22 ILE 122 7.936 7.884 -4.898 919 HG23 ILE 122 HG23 ILE 122 7.043 6.596 -4.089 920 HD11 ILE 122 HD11 ILE 122 7.839 9.470 -5.470 921 HD12 ILE 122 HD12 ILE 122 8.456 10.789 -4.418 922 HD13 ILE 122 HD13 ILE 122 7.135 11.094 -5.573 923 H ILE 123 H ILE 123 6.617 6.669 -6.470 924 HA ILE 123 HA ILE 123 5.126 4.286 -5.540 925 HB ILE 123 HB ILE 123 6.127 4.763 -8.357 926 HG12 ILE 123 HG12 ILE 123 3.364 4.219 -7.280 927 HG13 ILE 123 HG13 ILE 123 3.970 5.806 -7.729 928 HG21 ILE 123 HG21 ILE 123 4.908 2.260 -7.180 929 HG22 ILE 123 HG22 ILE 123 6.581 2.450 -7.703 930 HG23 ILE 123 HG23 ILE 123 5.274 2.525 -8.885 931 HD11 ILE 123 HD11 ILE 123 4.277 4.960 -10.042 932 HD12 ILE 123 HD12 ILE 123 2.604 4.995 -9.491 933 HD13 ILE 123 HD13 ILE 123 3.483 3.464 -9.545 934 H HIS 124 H HIS 124 6.320 2.430 -5.159 935 HA HIS 124 HA HIS 124 9.222 2.542 -5.629 936 HB2 HIS 124 HB2 HIS 124 8.178 1.423 -3.043 937 HB3 HIS 124 HB3 HIS 124 9.821 1.833 -3.460 938 HD1 HIS 124 HD1 HIS 124 10.646 3.936 -2.486 939 HD2 HIS 124 HD2 HIS 124 6.499 3.873 -2.718 940 HE1 HIS 124 HE1 HIS 124 9.878 6.050 -1.373 941 HE2 HIS 124 HE2 HIS 124 7.375 6.049 -1.613 942 H VAL 125 H VAL 125 9.681 0.838 -6.832 943 HA VAL 125 HA VAL 125 8.015 -1.526 -6.841 944 HB VAL 125 HB VAL 125 10.619 -0.922 -8.267 945 HG11 VAL 125 HG11 VAL 125 8.656 -3.182 -8.604 946 HG12 VAL 125 HG12 VAL 125 10.365 -3.286 -8.167 947 HG13 VAL 125 HG13 VAL 125 9.896 -2.773 -9.787 948 HG21 VAL 125 HG21 VAL 125 8.808 0.598 -8.881 949 HG22 VAL 125 HG22 VAL 125 7.778 -0.782 -9.269 950 HG23 VAL 125 HG23 VAL 125 9.234 -0.476 -10.215 951 H ILE 126 H ILE 126 8.408 -3.383 -5.680 952 HA ILE 126 HA ILE 126 11.014 -3.543 -4.316 953 HB ILE 126 HB ILE 126 10.052 -4.445 -2.340 954 HG12 ILE 126 HG12 ILE 126 8.009 -5.359 -3.800 955 HG13 ILE 126 HG13 ILE 126 7.923 -5.184 -2.054 956 HG21 ILE 126 HG21 ILE 126 8.795 -2.519 -1.510 957 HG22 ILE 126 HG22 ILE 126 8.608 -1.939 -3.168 958 HG23 ILE 126 HG23 ILE 126 10.215 -2.045 -2.442 959 HD11 ILE 126 HD11 ILE 126 6.915 -3.155 -4.037 960 HD12 ILE 126 HD12 ILE 126 6.764 -3.080 -2.278 961 HD13 ILE 126 HD13 ILE 126 5.921 -4.338 -3.184 962 H ASP 127 H ASP 127 11.607 -5.617 -3.613 963 HA ASP 127 HA ASP 127 11.155 -7.445 -5.821 964 HB2 ASP 127 HB2 ASP 127 13.427 -6.568 -5.441 965 HB3 ASP 127 HB3 ASP 127 13.445 -7.319 -3.862 966 H THR 128 H THR 128 9.547 -7.195 -3.282 967 HA THR 128 HA THR 128 9.262 -10.011 -2.817 968 HB THR 128 HB THR 128 10.290 -8.188 -0.666 969 HG1 THR 128 HG1 THR 128 11.490 -9.877 -2.219 970 HG21 THR 128 HG21 THR 128 8.927 -10.851 -0.342 971 HG22 THR 128 HG22 THR 128 8.439 -9.294 0.339 972 HG23 THR 128 HG23 THR 128 9.911 -10.083 0.904 973 H VAL 129 H VAL 129 7.153 -10.418 -2.529 974 HA VAL 129 HA VAL 129 5.300 -8.323 -1.850 975 HB VAL 129 HB VAL 129 4.912 -11.289 -2.351 976 HG11 VAL 129 HG11 VAL 129 3.296 -10.103 -0.760 977 HG12 VAL 129 HG12 VAL 129 2.637 -11.045 -2.093 978 HG13 VAL 129 HG13 VAL 129 2.701 -9.283 -2.203 979 HG21 VAL 129 HG21 VAL 129 5.523 -9.994 -4.341 980 HG22 VAL 129 HG22 VAL 129 4.197 -8.877 -4.023 981 HG23 VAL 129 HG23 VAL 129 3.853 -10.559 -4.434 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -18.582 14.889 -5.542 2 H2 MET 1 H2 MET 1 -20.135 14.309 -5.231 3 H3 MET 1 H3 MET 1 -19.812 15.113 -6.681 4 HA MET 1 HA MET 1 -19.955 12.772 -7.079 5 HB2 MET 1 HB2 MET 1 -18.328 14.104 -8.377 6 HB3 MET 1 HB3 MET 1 -17.096 13.752 -7.176 7 HG2 MET 1 HG2 MET 1 -17.249 11.377 -7.707 8 HG3 MET 1 HG3 MET 1 -18.493 11.726 -8.906 9 HE1 MET 1 HE1 MET 1 -15.938 10.049 -9.637 10 HE2 MET 1 HE2 MET 1 -15.459 10.783 -11.167 11 HE3 MET 1 HE3 MET 1 -17.163 10.496 -10.823 12 H ALA 2 H ALA 2 -20.040 10.905 -6.078 13 HA ALA 2 HA ALA 2 -18.922 10.473 -3.526 14 HB1 ALA 2 HB1 ALA 2 -20.034 8.441 -5.459 15 HB2 ALA 2 HB2 ALA 2 -20.980 9.381 -4.306 16 HB3 ALA 2 HB3 ALA 2 -19.794 8.209 -3.726 17 H THR 3 H THR 3 -16.905 10.058 -3.051 18 HA THR 3 HA THR 3 -14.863 9.304 -4.804 19 HB THR 3 HB THR 3 -15.031 8.826 -1.815 20 HG1 THR 3 HG1 THR 3 -14.031 11.085 -3.253 21 HG21 THR 3 HG21 THR 3 -12.656 8.802 -1.790 22 HG22 THR 3 HG22 THR 3 -12.565 9.309 -3.477 23 HG23 THR 3 HG23 THR 3 -13.151 7.694 -3.072 24 H ILE 4 H ILE 4 -13.872 7.305 -5.197 25 HA ILE 4 HA ILE 4 -15.599 5.186 -5.657 26 HB ILE 4 HB ILE 4 -13.414 3.815 -5.923 27 HG12 ILE 4 HG12 ILE 4 -11.477 5.386 -6.471 28 HG13 ILE 4 HG13 ILE 4 -12.344 6.622 -5.570 29 HG21 ILE 4 HG21 ILE 4 -13.998 6.221 -7.634 30 HG22 ILE 4 HG22 ILE 4 -14.787 4.649 -7.741 31 HG23 ILE 4 HG23 ILE 4 -13.074 4.802 -8.125 32 HD11 ILE 4 HD11 ILE 4 -11.381 3.994 -4.465 33 HD12 ILE 4 HD12 ILE 4 -12.219 5.258 -3.562 34 HD13 ILE 4 HD13 ILE 4 -10.615 5.565 -4.228 35 H VAL 5 H VAL 5 -13.951 5.922 -2.750 36 HA VAL 5 HA VAL 5 -14.305 3.249 -1.674 37 HB VAL 5 HB VAL 5 -12.305 4.238 -0.906 38 HG11 VAL 5 HG11 VAL 5 -12.667 6.525 -1.512 39 HG12 VAL 5 HG12 VAL 5 -12.215 6.449 0.193 40 HG13 VAL 5 HG13 VAL 5 -13.906 6.690 -0.263 41 HG21 VAL 5 HG21 VAL 5 -14.421 4.523 1.170 42 HG22 VAL 5 HG22 VAL 5 -12.693 4.570 1.517 43 HG23 VAL 5 HG23 VAL 5 -13.421 3.107 0.848 44 H ASP 6 H ASP 6 -15.679 6.449 -1.450 45 HA ASP 6 HA ASP 6 -17.251 6.177 0.830 46 HB2 ASP 6 HB2 ASP 6 -16.845 8.299 -0.469 47 HB3 ASP 6 HB3 ASP 6 -18.022 7.737 -1.638 48 H ILE 7 H ILE 7 -17.945 5.580 -2.548 49 HA ILE 7 HA ILE 7 -20.589 4.790 -2.366 50 HB ILE 7 HB ILE 7 -18.591 3.592 -4.279 51 HG12 ILE 7 HG12 ILE 7 -20.253 6.028 -4.831 52 HG13 ILE 7 HG13 ILE 7 -18.714 6.192 -3.990 53 HG21 ILE 7 HG21 ILE 7 -20.836 2.545 -4.232 54 HG22 ILE 7 HG22 ILE 7 -20.523 3.379 -5.757 55 HG23 ILE 7 HG23 ILE 7 -21.558 4.124 -4.538 56 HD11 ILE 7 HD11 ILE 7 -18.532 6.574 -6.403 57 HD12 ILE 7 HD12 ILE 7 -19.063 4.914 -6.687 58 HD13 ILE 7 HD13 ILE 7 -17.545 5.226 -5.842 59 H ALA 8 H ALA 8 -17.766 3.059 -1.305 60 HA ALA 8 HA ALA 8 -18.722 0.427 -1.469 61 HB1 ALA 8 HB1 ALA 8 -16.396 0.925 -0.974 62 HB2 ALA 8 HB2 ALA 8 -17.090 -0.105 0.280 63 HB3 ALA 8 HB3 ALA 8 -16.859 1.619 0.579 64 H VAL 9 H VAL 9 -19.244 2.936 0.978 65 HA VAL 9 HA VAL 9 -20.890 1.217 2.613 66 HB VAL 9 HB VAL 9 -20.773 4.238 2.656 67 HG11 VAL 9 HG11 VAL 9 -22.666 3.305 3.859 68 HG12 VAL 9 HG12 VAL 9 -21.489 3.972 4.990 69 HG13 VAL 9 HG13 VAL 9 -21.592 2.229 4.751 70 HG21 VAL 9 HG21 VAL 9 -19.104 4.004 4.437 71 HG22 VAL 9 HG22 VAL 9 -18.526 3.346 2.906 72 HG23 VAL 9 HG23 VAL 9 -19.082 2.259 4.179 73 H ASN 10 H ASN 10 -21.287 3.209 -0.138 74 HA ASN 10 HA ASN 10 -24.114 3.696 0.156 75 HB2 ASN 10 HB2 ASN 10 -22.541 5.270 -0.991 76 HB3 ASN 10 HB3 ASN 10 -22.311 4.066 -2.243 77 HD21 ASN 10 HD21 ASN 10 -23.017 5.445 -3.799 78 HD22 ASN 10 HD22 ASN 10 -24.674 5.867 -3.979 79 H THR 11 H THR 11 -22.089 1.284 -1.288 80 HA THR 11 HA THR 11 -23.761 0.401 -3.337 81 HB THR 11 HB THR 11 -22.519 -1.814 -3.023 82 HG1 THR 11 HG1 THR 11 -21.739 -0.603 -0.823 83 HG21 THR 11 HG21 THR 11 -22.028 -0.155 -4.756 84 HG22 THR 11 HG22 THR 11 -20.557 -0.922 -4.153 85 HG23 THR 11 HG23 THR 11 -20.983 0.706 -3.626 86 HA PRO 12 HA PRO 12 -26.785 -1.887 -0.998 87 HB2 PRO 12 HB2 PRO 12 -27.898 -2.727 -3.531 88 HB3 PRO 12 HB3 PRO 12 -28.563 -1.583 -2.370 89 HG2 PRO 12 HG2 PRO 12 -27.655 -0.858 -4.831 90 HG3 PRO 12 HG3 PRO 12 -27.651 0.225 -3.430 91 HD2 PRO 12 HD2 PRO 12 -25.419 -1.395 -4.582 92 HD3 PRO 12 HD3 PRO 12 -25.411 0.280 -3.997 93 H GLY 13 H GLY 13 -24.681 -3.241 -0.715 94 HA2 GLY 13 HA2 GLY 13 -24.097 -5.445 -0.322 95 HA3 GLY 13 HA3 GLY 13 -25.535 -5.940 -1.200 96 H PHE 14 H PHE 14 -22.765 -3.987 -2.247 97 HA PHE 14 HA PHE 14 -22.494 -5.344 -4.719 98 HB2 PHE 14 HB2 PHE 14 -21.462 -3.034 -3.707 99 HB3 PHE 14 HB3 PHE 14 -20.056 -4.078 -3.639 100 HD1 PHE 14 HD1 PHE 14 -22.687 -2.846 -5.948 101 HD2 PHE 14 HD2 PHE 14 -18.763 -4.438 -5.536 102 HE1 PHE 14 HE1 PHE 14 -22.272 -2.432 -8.337 103 HE2 PHE 14 HE2 PHE 14 -18.341 -4.030 -7.924 104 HZ PHE 14 HZ PHE 14 -20.098 -3.025 -9.328 105 H SER 15 H SER 15 -19.931 -5.971 -5.133 106 HA SER 15 HA SER 15 -19.547 -8.528 -4.055 107 HB2 SER 15 HB2 SER 15 -17.410 -6.751 -5.245 108 HB3 SER 15 HB3 SER 15 -17.485 -8.515 -5.276 109 HG SER 15 HG SER 15 -19.637 -7.980 -6.422 110 H THR 16 H THR 16 -17.690 -9.238 -2.770 111 HA THR 16 HA THR 16 -17.612 -7.961 -0.282 112 HB THR 16 HB THR 16 -15.553 -9.940 -1.259 113 HG1 THR 16 HG1 THR 16 -18.274 -10.295 -0.537 114 HG21 THR 16 HG21 THR 16 -15.168 -8.959 0.963 115 HG22 THR 16 HG22 THR 16 -15.558 -10.674 1.072 116 HG23 THR 16 HG23 THR 16 -16.782 -9.467 1.462 117 H LEU 17 H LEU 17 -15.773 -7.401 -3.116 118 HA LEU 17 HA LEU 17 -13.407 -6.341 -2.175 119 HB2 LEU 17 HB2 LEU 17 -15.149 -5.543 -4.488 120 HB3 LEU 17 HB3 LEU 17 -13.649 -4.708 -4.150 121 HG LEU 17 HG LEU 17 -12.473 -6.932 -4.362 122 HD11 LEU 17 HD11 LEU 17 -13.623 -8.710 -5.570 123 HD12 LEU 17 HD12 LEU 17 -15.128 -7.792 -5.501 124 HD13 LEU 17 HD13 LEU 17 -14.392 -8.393 -4.015 125 HD21 LEU 17 HD21 LEU 17 -12.462 -5.254 -6.132 126 HD22 LEU 17 HD22 LEU 17 -13.964 -5.918 -6.777 127 HD23 LEU 17 HD23 LEU 17 -12.491 -6.887 -6.794 128 H VAL 18 H VAL 18 -16.639 -4.902 -2.139 129 HA VAL 18 HA VAL 18 -15.617 -2.301 -1.345 130 HB VAL 18 HB VAL 18 -17.841 -1.519 -1.312 131 HG11 VAL 18 HG11 VAL 18 -17.082 -1.931 -3.538 132 HG12 VAL 18 HG12 VAL 18 -18.799 -2.333 -3.446 133 HG13 VAL 18 HG13 VAL 18 -17.589 -3.617 -3.443 134 HG21 VAL 18 HG21 VAL 18 -19.829 -2.970 -1.367 135 HG22 VAL 18 HG22 VAL 18 -18.865 -3.222 0.098 136 HG23 VAL 18 HG23 VAL 18 -18.785 -4.386 -1.232 137 H THR 19 H THR 19 -16.777 -5.184 0.113 138 HA THR 19 HA THR 19 -17.226 -3.959 2.667 139 HB THR 19 HB THR 19 -17.039 -6.913 2.302 140 HG1 THR 19 HG1 THR 19 -19.203 -6.852 1.529 141 HG21 THR 19 HG21 THR 19 -18.760 -5.063 3.965 142 HG22 THR 19 HG22 THR 19 -17.440 -6.082 4.541 143 HG23 THR 19 HG23 THR 19 -18.922 -6.821 3.932 144 H ALA 20 H ALA 20 -14.653 -5.644 1.064 145 HA ALA 20 HA ALA 20 -13.152 -6.390 3.310 146 HB1 ALA 20 HB1 ALA 20 -12.819 -7.157 0.959 147 HB2 ALA 20 HB2 ALA 20 -11.351 -6.746 1.843 148 HB3 ALA 20 HB3 ALA 20 -12.010 -5.620 0.652 149 H VAL 21 H VAL 21 -13.329 -3.309 1.600 150 HA VAL 21 HA VAL 21 -11.346 -2.122 3.335 151 HB VAL 21 HB VAL 21 -11.407 -1.004 1.293 152 HG11 VAL 21 HG11 VAL 21 -13.495 -1.929 0.418 153 HG12 VAL 21 HG12 VAL 21 -13.452 -0.179 0.206 154 HG13 VAL 21 HG13 VAL 21 -14.421 -0.886 1.498 155 HG21 VAL 21 HG21 VAL 21 -12.348 1.248 1.796 156 HG22 VAL 21 HG22 VAL 21 -11.340 0.585 3.088 157 HG23 VAL 21 HG23 VAL 21 -13.103 0.552 3.235 158 H LYS 22 H LYS 22 -14.862 -2.309 3.193 159 HA LYS 22 HA LYS 22 -15.442 -0.466 5.213 160 HB2 LYS 22 HB2 LYS 22 -16.870 -2.696 3.899 161 HB3 LYS 22 HB3 LYS 22 -17.498 -2.212 5.452 162 HG2 LYS 22 HG2 LYS 22 -17.675 0.078 4.582 163 HG3 LYS 22 HG3 LYS 22 -17.168 -0.491 3.011 164 HD2 LYS 22 HD2 LYS 22 -19.603 -1.463 4.478 165 HD3 LYS 22 HD3 LYS 22 -19.600 -0.215 3.236 166 HE2 LYS 22 HE2 LYS 22 -18.680 -1.825 1.635 167 HE3 LYS 22 HE3 LYS 22 -18.740 -3.067 2.869 168 HZ1 LYS 22 HZ1 LYS 22 -21.157 -2.738 2.983 169 HZ2 LYS 22 HZ2 LYS 22 -20.645 -3.257 1.460 170 HZ3 LYS 22 HZ3 LYS 22 -21.052 -1.635 1.706 171 H VAL 23 H VAL 23 -14.785 -3.914 5.301 172 HA VAL 23 HA VAL 23 -15.288 -4.222 8.107 173 HB VAL 23 HB VAL 23 -15.499 -6.129 6.580 174 HG11 VAL 23 HG11 VAL 23 -13.716 -5.535 5.016 175 HG12 VAL 23 HG12 VAL 23 -13.539 -7.194 5.604 176 HG13 VAL 23 HG13 VAL 23 -12.507 -5.912 6.249 177 HG21 VAL 23 HG21 VAL 23 -13.264 -6.485 8.564 178 HG22 VAL 23 HG22 VAL 23 -14.303 -7.762 7.926 179 HG23 VAL 23 HG23 VAL 23 -14.984 -6.493 8.946 180 H ALA 24 H ALA 24 -12.516 -3.640 6.090 181 HA ALA 24 HA ALA 24 -10.552 -3.923 8.132 182 HB1 ALA 24 HB1 ALA 24 -10.111 -4.167 5.708 183 HB2 ALA 24 HB2 ALA 24 -9.007 -3.074 6.545 184 HB3 ALA 24 HB3 ALA 24 -10.310 -2.421 5.552 185 H ASN 25 H ASN 25 -12.861 -1.649 7.524 186 HA ASN 25 HA ASN 25 -13.433 0.313 8.357 187 HB2 ASN 25 HB2 ASN 25 -12.716 0.909 10.434 188 HB3 ASN 25 HB3 ASN 25 -12.231 -0.771 10.372 189 HD21 ASN 25 HD21 ASN 25 -10.875 2.470 9.730 190 HD22 ASN 25 HD22 ASN 25 -9.306 2.094 10.352 191 H LEU 26 H LEU 26 -11.213 -0.032 6.189 192 HA LEU 26 HA LEU 26 -9.994 2.589 6.320 193 HB2 LEU 26 HB2 LEU 26 -9.665 0.259 4.507 194 HB3 LEU 26 HB3 LEU 26 -9.167 1.850 3.953 195 HG LEU 26 HG LEU 26 -7.772 2.024 6.049 196 HD11 LEU 26 HD11 LEU 26 -7.113 -0.207 6.991 197 HD12 LEU 26 HD12 LEU 26 -8.547 -0.865 6.204 198 HD13 LEU 26 HD13 LEU 26 -8.712 0.385 7.440 199 HD21 LEU 26 HD21 LEU 26 -5.965 0.647 5.114 200 HD22 LEU 26 HD22 LEU 26 -6.781 1.618 3.891 201 HD23 LEU 26 HD23 LEU 26 -7.129 -0.108 4.023 202 H VAL 27 H VAL 27 -12.969 1.790 5.638 203 HA VAL 27 HA VAL 27 -13.556 2.954 3.174 204 HB VAL 27 HB VAL 27 -15.028 2.104 5.479 205 HG11 VAL 27 HG11 VAL 27 -15.487 4.450 5.916 206 HG12 VAL 27 HG12 VAL 27 -16.944 3.621 5.357 207 HG13 VAL 27 HG13 VAL 27 -16.045 4.662 4.253 208 HG21 VAL 27 HG21 VAL 27 -16.821 1.828 3.760 209 HG22 VAL 27 HG22 VAL 27 -15.282 1.075 3.339 210 HG23 VAL 27 HG23 VAL 27 -15.749 2.614 2.600 211 H GLU 28 H GLU 28 -13.021 4.375 6.324 212 HA GLU 28 HA GLU 28 -13.450 7.068 5.358 213 HB2 GLU 28 HB2 GLU 28 -12.482 7.581 7.718 214 HB3 GLU 28 HB3 GLU 28 -14.085 6.871 7.564 215 HG2 GLU 28 HG2 GLU 28 -13.258 4.702 8.102 216 HG3 GLU 28 HG3 GLU 28 -11.588 5.266 8.040 217 H ALA 29 H ALA 29 -10.808 4.891 5.566 218 HA ALA 29 HA ALA 29 -8.773 6.866 5.794 219 HB1 ALA 29 HB1 ALA 29 -8.456 3.979 5.024 220 HB2 ALA 29 HB2 ALA 29 -8.543 4.565 6.686 221 HB3 ALA 29 HB3 ALA 29 -7.210 5.061 5.646 222 H LEU 30 H LEU 30 -9.767 4.646 3.199 223 HA LEU 30 HA LEU 30 -8.075 5.541 1.188 224 HB2 LEU 30 HB2 LEU 30 -10.889 4.612 0.733 225 HB3 LEU 30 HB3 LEU 30 -9.549 4.525 -0.387 226 HG LEU 30 HG LEU 30 -9.942 2.909 2.115 227 HD11 LEU 30 HD11 LEU 30 -9.935 1.037 0.553 228 HD12 LEU 30 HD12 LEU 30 -9.735 2.163 -0.790 229 HD13 LEU 30 HD13 LEU 30 -11.211 2.192 0.173 230 HD21 LEU 30 HD21 LEU 30 -7.842 1.782 1.535 231 HD22 LEU 30 HD22 LEU 30 -7.605 3.473 1.982 232 HD23 LEU 30 HD23 LEU 30 -7.556 2.996 0.284 233 H GLN 31 H GLN 31 -10.664 7.187 2.598 234 HA GLN 31 HA GLN 31 -11.708 8.658 0.434 235 HB2 GLN 31 HB2 GLN 31 -11.599 9.451 3.337 236 HB3 GLN 31 HB3 GLN 31 -12.677 10.109 2.113 237 HG2 GLN 31 HG2 GLN 31 -12.680 7.194 2.649 238 HG3 GLN 31 HG3 GLN 31 -13.484 8.285 3.761 239 HE21 GLN 31 HE21 GLN 31 -14.370 6.195 1.835 240 HE22 GLN 31 HE22 GLN 31 -15.661 6.971 0.994 241 H SER 32 H SER 32 -8.704 8.876 1.955 242 HA SER 32 HA SER 32 -8.190 11.598 2.090 243 HB2 SER 32 HB2 SER 32 -6.310 9.312 1.479 244 HB3 SER 32 HB3 SER 32 -5.789 10.947 1.883 245 HG SER 32 HG SER 32 -7.485 9.404 3.560 246 HA PRO 33 HA PRO 33 -8.219 12.474 -2.328 247 HB2 PRO 33 HB2 PRO 33 -8.367 15.150 -2.039 248 HB3 PRO 33 HB3 PRO 33 -9.777 14.096 -1.901 249 HG2 PRO 33 HG2 PRO 33 -8.213 15.479 0.204 250 HG3 PRO 33 HG3 PRO 33 -9.928 15.042 0.181 251 HD2 PRO 33 HD2 PRO 33 -7.906 13.682 1.541 252 HD3 PRO 33 HD3 PRO 33 -9.525 13.056 1.185 253 H GLY 34 H GLY 34 -5.972 13.263 0.057 254 HA2 GLY 34 HA2 GLY 34 -4.254 15.011 -1.353 255 HA3 GLY 34 HA3 GLY 34 -3.824 14.068 0.061 256 HA PRO 35 HA PRO 35 -1.257 12.416 -3.291 257 HB2 PRO 35 HB2 PRO 35 0.777 11.774 -1.437 258 HB3 PRO 35 HB3 PRO 35 0.726 13.146 -2.541 259 HG2 PRO 35 HG2 PRO 35 0.549 13.237 0.265 260 HG3 PRO 35 HG3 PRO 35 0.263 14.556 -0.862 261 HD2 PRO 35 HD2 PRO 35 -1.651 12.871 0.609 262 HD3 PRO 35 HD3 PRO 35 -1.841 14.506 -0.040 263 H PHE 36 H PHE 36 -0.070 10.316 -3.562 264 HA PHE 36 HA PHE 36 -1.098 8.202 -1.827 265 HB2 PHE 36 HB2 PHE 36 -1.631 8.481 -4.774 266 HB3 PHE 36 HB3 PHE 36 -1.582 6.896 -4.013 267 HD1 PHE 36 HD1 PHE 36 -3.013 6.767 -1.762 268 HD2 PHE 36 HD2 PHE 36 -3.698 9.476 -4.967 269 HE1 PHE 36 HE1 PHE 36 -5.351 7.014 -1.045 270 HE2 PHE 36 HE2 PHE 36 -6.037 9.732 -4.254 271 HZ PHE 36 HZ PHE 36 -6.866 8.499 -2.291 272 H THR 37 H THR 37 0.515 6.947 -1.253 273 HA THR 37 HA THR 37 2.822 6.665 -3.042 274 HB THR 37 HB THR 37 2.577 6.343 -0.042 275 HG1 THR 37 HG1 THR 37 3.196 8.355 -0.076 276 HG21 THR 37 HG21 THR 37 4.126 4.663 -0.936 277 HG22 THR 37 HG22 THR 37 4.998 5.913 -0.048 278 HG23 THR 37 HG23 THR 37 4.996 5.921 -1.811 279 H VAL 38 H VAL 38 2.911 4.834 -4.123 280 HA VAL 38 HA VAL 38 1.482 2.476 -3.076 281 HB VAL 38 HB VAL 38 2.251 3.060 -5.943 282 HG11 VAL 38 HG11 VAL 38 0.485 0.914 -4.771 283 HG12 VAL 38 HG12 VAL 38 2.100 0.680 -5.440 284 HG13 VAL 38 HG13 VAL 38 0.776 1.188 -6.489 285 HG21 VAL 38 HG21 VAL 38 0.546 4.628 -5.150 286 HG22 VAL 38 HG22 VAL 38 -0.455 3.272 -4.629 287 HG23 VAL 38 HG23 VAL 38 -0.107 3.504 -6.343 288 H PHE 39 H PHE 39 2.740 0.867 -2.372 289 HA PHE 39 HA PHE 39 5.498 0.647 -3.261 290 HB2 PHE 39 HB2 PHE 39 3.931 -1.363 -1.598 291 HB3 PHE 39 HB3 PHE 39 5.677 -1.219 -1.731 292 HD1 PHE 39 HD1 PHE 39 6.886 0.533 -0.609 293 HD2 PHE 39 HD2 PHE 39 2.673 0.111 -0.150 294 HE1 PHE 39 HE1 PHE 39 6.949 2.001 1.377 295 HE2 PHE 39 HE2 PHE 39 2.729 1.575 1.827 296 HZ PHE 39 HZ PHE 39 4.871 2.523 2.594 297 H ALA 40 H ALA 40 5.891 -0.225 -5.189 298 HA ALA 40 HA ALA 40 3.771 -1.862 -6.436 299 HB1 ALA 40 HB1 ALA 40 4.857 -1.345 -8.553 300 HB2 ALA 40 HB2 ALA 40 6.153 -0.512 -7.694 301 HB3 ALA 40 HB3 ALA 40 4.510 0.129 -7.647 302 HA PRO 41 HA PRO 41 6.496 -5.377 -5.892 303 HB2 PRO 41 HB2 PRO 41 4.816 -7.256 -6.833 304 HB3 PRO 41 HB3 PRO 41 4.618 -6.531 -5.232 305 HG2 PRO 41 HG2 PRO 41 3.165 -5.941 -7.777 306 HG3 PRO 41 HG3 PRO 41 2.533 -6.048 -6.124 307 HD2 PRO 41 HD2 PRO 41 3.104 -3.686 -7.404 308 HD3 PRO 41 HD3 PRO 41 3.101 -3.887 -5.642 309 H ASN 42 H ASN 42 8.094 -5.856 -7.210 310 HA ASN 42 HA ASN 42 7.950 -5.478 -10.044 311 HB2 ASN 42 HB2 ASN 42 10.229 -5.493 -9.888 312 HB3 ASN 42 HB3 ASN 42 9.947 -5.463 -8.167 313 HD21 ASN 42 HD21 ASN 42 10.049 -7.374 -7.018 314 HD22 ASN 42 HD22 ASN 42 11.059 -8.663 -7.567 315 H ASP 43 H ASP 43 9.065 -7.500 -11.351 316 HA ASP 43 HA ASP 43 6.968 -9.317 -11.622 317 HB2 ASP 43 HB2 ASP 43 9.820 -9.491 -12.582 318 HB3 ASP 43 HB3 ASP 43 8.563 -10.634 -13.047 319 H ASP 44 H ASP 44 9.914 -9.593 -9.705 320 HA ASP 44 HA ASP 44 9.546 -12.416 -9.244 321 HB2 ASP 44 HB2 ASP 44 11.810 -11.366 -9.331 322 HB3 ASP 44 HB3 ASP 44 11.414 -10.514 -7.849 323 H ALA 45 H ALA 45 8.500 -9.481 -7.980 324 HA ALA 45 HA ALA 45 7.931 -10.428 -5.313 325 HB1 ALA 45 HB1 ALA 45 6.984 -8.251 -4.955 326 HB2 ALA 45 HB2 ALA 45 7.047 -7.907 -6.688 327 HB3 ALA 45 HB3 ALA 45 8.540 -8.089 -5.770 328 H PHE 46 H PHE 46 6.263 -9.718 -8.308 329 HA PHE 46 HA PHE 46 3.653 -10.414 -7.538 330 HB2 PHE 46 HB2 PHE 46 4.523 -9.308 -9.698 331 HB3 PHE 46 HB3 PHE 46 4.844 -10.942 -10.256 332 HD1 PHE 46 HD1 PHE 46 3.000 -12.460 -10.764 333 HD2 PHE 46 HD2 PHE 46 2.288 -8.473 -9.467 334 HE1 PHE 46 HE1 PHE 46 0.660 -12.642 -11.502 335 HE2 PHE 46 HE2 PHE 46 -0.053 -8.646 -10.201 336 HZ PHE 46 HZ PHE 46 -0.869 -10.731 -11.217 337 H ALA 47 H ALA 47 6.480 -12.190 -8.041 338 HA ALA 47 HA ALA 47 5.252 -14.774 -8.448 339 HB1 ALA 47 HB1 ALA 47 7.302 -14.360 -9.582 340 HB2 ALA 47 HB2 ALA 47 7.620 -15.561 -8.330 341 HB3 ALA 47 HB3 ALA 47 8.101 -13.878 -8.087 342 H LYS 48 H LYS 48 5.904 -12.770 -5.848 343 HA LYS 48 HA LYS 48 6.269 -14.884 -3.869 344 HB2 LYS 48 HB2 LYS 48 5.731 -11.989 -3.292 345 HB3 LYS 48 HB3 LYS 48 6.573 -13.176 -2.306 346 HG2 LYS 48 HG2 LYS 48 7.595 -12.160 -4.929 347 HG3 LYS 48 HG3 LYS 48 8.048 -11.485 -3.365 348 HD2 LYS 48 HD2 LYS 48 8.417 -14.371 -4.150 349 HD3 LYS 48 HD3 LYS 48 9.671 -13.136 -4.310 350 HE2 LYS 48 HE2 LYS 48 9.509 -12.715 -1.881 351 HE3 LYS 48 HE3 LYS 48 8.336 -14.024 -1.761 352 HZ1 LYS 48 HZ1 LYS 48 10.570 -14.749 -1.168 353 HZ2 LYS 48 HZ2 LYS 48 11.136 -14.317 -2.702 354 HZ3 LYS 48 HZ3 LYS 48 10.010 -15.564 -2.538 355 H LEU 49 H LEU 49 3.854 -12.903 -5.275 356 HA LEU 49 HA LEU 49 1.767 -12.906 -3.538 357 HB2 LEU 49 HB2 LEU 49 1.809 -13.273 -6.509 358 HB3 LEU 49 HB3 LEU 49 0.319 -13.082 -5.612 359 HG LEU 49 HG LEU 49 2.572 -11.091 -5.825 360 HD11 LEU 49 HD11 LEU 49 -0.293 -10.982 -6.731 361 HD12 LEU 49 HD12 LEU 49 1.122 -11.170 -7.768 362 HD13 LEU 49 HD13 LEU 49 0.885 -9.677 -6.856 363 HD21 LEU 49 HD21 LEU 49 1.759 -10.989 -3.593 364 HD22 LEU 49 HD22 LEU 49 0.083 -11.044 -4.138 365 HD23 LEU 49 HD23 LEU 49 1.074 -9.626 -4.477 366 HA PRO 50 HA PRO 50 0.344 -17.354 -4.914 367 HB2 PRO 50 HB2 PRO 50 2.399 -19.008 -5.702 368 HB3 PRO 50 HB3 PRO 50 1.298 -18.179 -6.804 369 HG2 PRO 50 HG2 PRO 50 4.068 -17.452 -5.985 370 HG3 PRO 50 HG3 PRO 50 3.287 -17.298 -7.568 371 HD2 PRO 50 HD2 PRO 50 3.655 -15.191 -5.916 372 HD3 PRO 50 HD3 PRO 50 2.252 -15.311 -7.004 373 H ASP 51 H ASP 51 3.130 -16.407 -3.180 374 HA ASP 51 HA ASP 51 3.147 -18.800 -1.521 375 HB2 ASP 51 HB2 ASP 51 4.801 -16.272 -1.390 376 HB3 ASP 51 HB3 ASP 51 4.959 -17.611 -0.261 377 H GLY 52 H GLY 52 1.658 -15.769 -1.664 378 HA2 GLY 52 HA2 GLY 52 -0.200 -15.134 -0.440 379 HA3 GLY 52 HA3 GLY 52 0.123 -16.438 0.684 380 H THR 53 H THR 53 1.933 -13.498 -0.316 381 HA THR 53 HA THR 53 2.834 -12.962 2.318 382 HB THR 53 HB THR 53 2.513 -11.083 -0.015 383 HG1 THR 53 HG1 THR 53 4.951 -11.396 0.087 384 HG21 THR 53 HG21 THR 53 2.582 -9.810 2.012 385 HG22 THR 53 HG22 THR 53 4.162 -9.679 1.238 386 HG23 THR 53 HG23 THR 53 3.943 -10.752 2.621 387 H ILE 54 H ILE 54 0.370 -11.371 0.302 388 HA ILE 54 HA ILE 54 -0.481 -9.579 2.215 389 HB ILE 54 HB ILE 54 -1.342 -10.388 -0.408 390 HG12 ILE 54 HG12 ILE 54 -1.902 -7.928 -0.461 391 HG13 ILE 54 HG13 ILE 54 -1.436 -7.868 1.234 392 HG21 ILE 54 HG21 ILE 54 -3.419 -11.044 0.676 393 HG22 ILE 54 HG22 ILE 54 -3.652 -9.572 -0.270 394 HG23 ILE 54 HG23 ILE 54 -3.506 -9.479 1.485 395 HD11 ILE 54 HD11 ILE 54 0.808 -8.697 0.565 396 HD12 ILE 54 HD12 ILE 54 0.381 -7.086 -0.014 397 HD13 ILE 54 HD13 ILE 54 0.315 -8.467 -1.115 398 H THR 55 H THR 55 -1.241 -12.888 1.774 399 HA THR 55 HA THR 55 -3.553 -13.111 3.305 400 HB THR 55 HB THR 55 -1.299 -15.076 3.100 401 HG1 THR 55 HG1 THR 55 -3.424 -15.766 1.663 402 HG21 THR 55 HG21 THR 55 -2.879 -16.744 3.821 403 HG22 THR 55 HG22 THR 55 -4.185 -15.558 3.820 404 HG23 THR 55 HG23 THR 55 -2.883 -15.428 5.004 405 H SER 56 H SER 56 -0.188 -12.844 4.319 406 HA SER 56 HA SER 56 -0.858 -13.249 7.090 407 HB2 SER 56 HB2 SER 56 1.332 -13.991 6.261 408 HB3 SER 56 HB3 SER 56 1.716 -12.342 5.773 409 HG SER 56 HG SER 56 1.705 -13.508 8.296 410 H LEU 57 H LEU 57 -0.571 -10.739 4.840 411 HA LEU 57 HA LEU 57 -0.307 -8.559 6.658 412 HB2 LEU 57 HB2 LEU 57 -0.775 -8.871 3.794 413 HB3 LEU 57 HB3 LEU 57 -1.204 -7.343 4.502 414 HG LEU 57 HG LEU 57 1.074 -6.990 5.227 415 HD11 LEU 57 HD11 LEU 57 1.671 -9.687 4.029 416 HD12 LEU 57 HD12 LEU 57 1.716 -9.269 5.741 417 HD13 LEU 57 HD13 LEU 57 2.873 -8.544 4.626 418 HD21 LEU 57 HD21 LEU 57 0.306 -6.561 2.779 419 HD22 LEU 57 HD22 LEU 57 1.348 -7.934 2.396 420 HD23 LEU 57 HD23 LEU 57 2.028 -6.499 3.160 421 H VAL 58 H VAL 58 -2.975 -10.379 5.304 422 HA VAL 58 HA VAL 58 -4.958 -8.458 6.130 423 HB VAL 58 HB VAL 58 -5.350 -10.132 4.288 424 HG11 VAL 58 HG11 VAL 58 -4.435 -12.128 5.157 425 HG12 VAL 58 HG12 VAL 58 -6.183 -12.386 5.084 426 HG13 VAL 58 HG13 VAL 58 -5.407 -12.019 6.635 427 HG21 VAL 58 HG21 VAL 58 -7.682 -10.496 4.840 428 HG22 VAL 58 HG22 VAL 58 -7.177 -8.893 5.379 429 HG23 VAL 58 HG23 VAL 58 -7.346 -10.204 6.546 430 H GLN 59 H GLN 59 -3.338 -11.222 7.489 431 HA GLN 59 HA GLN 59 -5.024 -11.558 9.737 432 HB2 GLN 59 HB2 GLN 59 -2.087 -12.207 9.595 433 HB3 GLN 59 HB3 GLN 59 -3.328 -13.023 10.534 434 HG2 GLN 59 HG2 GLN 59 -3.599 -12.945 7.598 435 HG3 GLN 59 HG3 GLN 59 -2.412 -14.027 8.285 436 HE21 GLN 59 HE21 GLN 59 -4.703 -14.694 6.781 437 HE22 GLN 59 HE22 GLN 59 -5.747 -15.644 7.779 438 H ASN 60 H ASN 60 -2.442 -9.582 8.835 439 HA ASN 60 HA ASN 60 -1.752 -8.428 11.313 440 HB2 ASN 60 HB2 ASN 60 -1.033 -8.197 8.493 441 HB3 ASN 60 HB3 ASN 60 -0.998 -6.669 9.335 442 HD21 ASN 60 HD21 ASN 60 0.356 -9.842 9.106 443 HD22 ASN 60 HD22 ASN 60 1.760 -9.542 10.074 444 HA PRO 61 HA PRO 61 -4.496 -4.976 12.131 445 HB2 PRO 61 HB2 PRO 61 -2.346 -3.295 10.870 446 HB3 PRO 61 HB3 PRO 61 -3.297 -2.979 12.325 447 HG2 PRO 61 HG2 PRO 61 -0.829 -3.933 12.518 448 HG3 PRO 61 HG3 PRO 61 -2.112 -4.512 13.595 449 HD2 PRO 61 HD2 PRO 61 -0.778 -5.888 11.349 450 HD3 PRO 61 HD3 PRO 61 -1.595 -6.569 12.767 451 HA PRO 62 HA PRO 62 -7.318 -3.709 9.063 452 HB2 PRO 62 HB2 PRO 62 -6.299 -0.940 9.410 453 HB3 PRO 62 HB3 PRO 62 -7.970 -1.509 9.288 454 HG2 PRO 62 HG2 PRO 62 -6.931 -0.988 11.663 455 HG3 PRO 62 HG3 PRO 62 -7.942 -2.426 11.428 456 HD2 PRO 62 HD2 PRO 62 -5.009 -2.217 11.801 457 HD3 PRO 62 HD3 PRO 62 -6.113 -3.536 12.234 458 H GLN 63 H GLN 63 -4.067 -3.085 8.334 459 HA GLN 63 HA GLN 63 -3.853 -1.666 6.042 460 HB2 GLN 63 HB2 GLN 63 -2.035 -2.810 7.243 461 HB3 GLN 63 HB3 GLN 63 -2.548 -4.326 6.510 462 HG2 GLN 63 HG2 GLN 63 -2.269 -3.101 4.284 463 HG3 GLN 63 HG3 GLN 63 -1.325 -1.931 5.213 464 HE21 GLN 63 HE21 GLN 63 -1.546 -5.098 3.962 465 HE22 GLN 63 HE22 GLN 63 0.057 -5.567 4.309 466 H LEU 64 H LEU 64 -5.659 -4.608 6.266 467 HA LEU 64 HA LEU 64 -5.587 -5.689 3.765 468 HB2 LEU 64 HB2 LEU 64 -6.928 -6.759 5.357 469 HB3 LEU 64 HB3 LEU 64 -7.832 -5.299 5.711 470 HG LEU 64 HG LEU 64 -8.712 -5.443 3.354 471 HD11 LEU 64 HD11 LEU 64 -7.656 -8.254 3.551 472 HD12 LEU 64 HD12 LEU 64 -7.063 -6.998 2.467 473 HD13 LEU 64 HD13 LEU 64 -8.700 -7.627 2.276 474 HD21 LEU 64 HD21 LEU 64 -9.524 -7.749 5.098 475 HD22 LEU 64 HD22 LEU 64 -10.515 -6.841 3.946 476 HD23 LEU 64 HD23 LEU 64 -9.961 -6.071 5.443 477 H GLY 65 H GLY 65 -7.629 -2.986 4.827 478 HA2 GLY 65 HA2 GLY 65 -9.024 -2.529 2.468 479 HA3 GLY 65 HA3 GLY 65 -8.670 -1.297 3.660 480 H ARG 66 H ARG 66 -5.809 -1.538 3.343 481 HA ARG 66 HA ARG 66 -5.418 0.321 1.236 482 HB2 ARG 66 HB2 ARG 66 -3.905 0.688 2.904 483 HB3 ARG 66 HB3 ARG 66 -3.783 -1.014 3.312 484 HG2 ARG 66 HG2 ARG 66 -2.650 -0.295 0.707 485 HG3 ARG 66 HG3 ARG 66 -1.857 0.419 2.100 486 HD2 ARG 66 HD2 ARG 66 -1.565 -1.774 3.101 487 HD3 ARG 66 HD3 ARG 66 -2.411 -2.512 1.742 488 HE ARG 66 HE ARG 66 -0.559 -1.884 0.328 489 HH11 ARG 66 HH11 ARG 66 0.035 -1.475 3.756 490 HH12 ARG 66 HH12 ARG 66 1.747 -1.651 3.609 491 HH21 ARG 66 HH21 ARG 66 1.705 -2.102 0.129 492 HH22 ARG 66 HH22 ARG 66 2.699 -1.998 1.543 493 H ILE 67 H ILE 67 -4.361 -2.965 1.797 494 HA ILE 67 HA ILE 67 -3.197 -3.701 -0.539 495 HB ILE 67 HB ILE 67 -5.203 -5.371 0.974 496 HG12 ILE 67 HG12 ILE 67 -2.228 -5.090 1.426 497 HG13 ILE 67 HG13 ILE 67 -3.461 -4.326 2.416 498 HG21 ILE 67 HG21 ILE 67 -3.865 -7.266 0.170 499 HG22 ILE 67 HG22 ILE 67 -2.875 -6.150 -0.771 500 HG23 ILE 67 HG23 ILE 67 -4.585 -6.349 -1.153 501 HD11 ILE 67 HD11 ILE 67 -2.742 -6.247 3.566 502 HD12 ILE 67 HD12 ILE 67 -2.895 -7.253 2.129 503 HD13 ILE 67 HD13 ILE 67 -4.334 -6.620 2.911 504 H LEU 68 H LEU 68 -6.716 -3.747 0.082 505 HA LEU 68 HA LEU 68 -7.511 -5.110 -2.164 506 HB2 LEU 68 HB2 LEU 68 -8.907 -3.039 -0.537 507 HB3 LEU 68 HB3 LEU 68 -9.674 -3.703 -1.962 508 HG LEU 68 HG LEU 68 -10.512 -5.266 -0.624 509 HD11 LEU 68 HD11 LEU 68 -7.652 -6.164 -0.396 510 HD12 LEU 68 HD12 LEU 68 -8.820 -6.647 -1.627 511 HD13 LEU 68 HD13 LEU 68 -9.056 -7.131 0.053 512 HD21 LEU 68 HD21 LEU 68 -8.452 -4.559 1.443 513 HD22 LEU 68 HD22 LEU 68 -9.918 -5.517 1.709 514 HD23 LEU 68 HD23 LEU 68 -10.038 -3.809 1.280 515 H LYS 69 H LYS 69 -7.464 -1.526 -1.901 516 HA LYS 69 HA LYS 69 -8.501 -1.424 -4.586 517 HB2 LYS 69 HB2 LYS 69 -9.308 0.069 -2.773 518 HB3 LYS 69 HB3 LYS 69 -7.740 0.861 -2.767 519 HG2 LYS 69 HG2 LYS 69 -9.397 2.146 -4.008 520 HG3 LYS 69 HG3 LYS 69 -8.080 1.610 -5.051 521 HD2 LYS 69 HD2 LYS 69 -10.197 1.327 -6.187 522 HD3 LYS 69 HD3 LYS 69 -9.497 -0.252 -5.836 523 HE2 LYS 69 HE2 LYS 69 -10.958 -0.400 -3.839 524 HE3 LYS 69 HE3 LYS 69 -11.703 1.126 -4.309 525 HZ1 LYS 69 HZ1 LYS 69 -13.065 -0.649 -5.077 526 HZ2 LYS 69 HZ2 LYS 69 -11.761 -1.428 -5.815 527 HZ3 LYS 69 HZ3 LYS 69 -12.326 0.041 -6.431 528 H TYR 70 H TYR 70 -5.646 0.202 -3.096 529 HA TYR 70 HA TYR 70 -4.425 0.045 -5.774 530 HB2 TYR 70 HB2 TYR 70 -4.247 2.351 -3.839 531 HB3 TYR 70 HB3 TYR 70 -3.311 2.217 -5.320 532 HD1 TYR 70 HD1 TYR 70 -4.865 1.750 -7.479 533 HD2 TYR 70 HD2 TYR 70 -6.105 3.681 -3.898 534 HE1 TYR 70 HE1 TYR 70 -6.658 2.887 -8.718 535 HE2 TYR 70 HE2 TYR 70 -7.904 4.820 -5.125 536 HH TYR 70 HH TYR 70 -8.467 5.474 -7.369 537 H HIS 71 H HIS 71 -4.105 -1.120 -2.743 538 HA HIS 71 HA HIS 71 -2.424 -1.784 -1.349 539 HB2 HIS 71 HB2 HIS 71 -0.727 -1.561 -3.844 540 HB3 HIS 71 HB3 HIS 71 -0.260 -2.392 -2.369 541 HD1 HIS 71 HD1 HIS 71 -2.145 -2.810 -5.512 542 HD2 HIS 71 HD2 HIS 71 -1.587 -4.879 -1.954 543 HE1 HIS 71 HE1 HIS 71 -3.014 -5.128 -5.939 544 HE2 HIS 71 HE2 HIS 71 -2.437 -6.416 -3.852 545 H VAL 72 H VAL 72 -3.034 0.945 -1.333 546 HA VAL 72 HA VAL 72 -0.486 2.368 -1.675 547 HB VAL 72 HB VAL 72 -2.314 2.854 -3.318 548 HG11 VAL 72 HG11 VAL 72 -4.204 4.224 -2.604 549 HG12 VAL 72 HG12 VAL 72 -3.680 4.080 -0.927 550 HG13 VAL 72 HG13 VAL 72 -4.216 2.650 -1.807 551 HG21 VAL 72 HG21 VAL 72 -1.450 5.160 -1.586 552 HG22 VAL 72 HG22 VAL 72 -2.079 5.280 -3.228 553 HG23 VAL 72 HG23 VAL 72 -0.542 4.468 -2.931 554 H VAL 73 H VAL 73 -0.003 4.088 -0.325 555 HA VAL 73 HA VAL 73 -1.764 4.539 1.986 556 HB VAL 73 HB VAL 73 0.136 3.568 2.990 557 HG11 VAL 73 HG11 VAL 73 1.557 3.780 0.879 558 HG12 VAL 73 HG12 VAL 73 2.389 3.934 2.427 559 HG13 VAL 73 HG13 VAL 73 2.004 5.376 1.490 560 HG21 VAL 73 HG21 VAL 73 1.120 5.326 4.266 561 HG22 VAL 73 HG22 VAL 73 -0.574 5.727 3.965 562 HG23 VAL 73 HG23 VAL 73 0.709 6.511 3.025 563 H ALA 74 H ALA 74 -2.537 6.558 2.087 564 HA ALA 74 HA ALA 74 -1.815 8.585 0.241 565 HB1 ALA 74 HB1 ALA 74 -3.313 8.747 2.847 566 HB2 ALA 74 HB2 ALA 74 -4.011 8.575 1.232 567 HB3 ALA 74 HB3 ALA 74 -3.177 10.066 1.681 568 H GLY 75 H GLY 75 -0.579 10.366 0.431 569 HA2 GLY 75 HA2 GLY 75 0.771 11.851 1.816 570 HA3 GLY 75 HA3 GLY 75 1.145 10.451 2.816 571 H ALA 76 H ALA 76 1.891 12.194 -0.007 572 HA ALA 76 HA ALA 76 3.479 10.409 -1.420 573 HB1 ALA 76 HB1 ALA 76 4.368 12.355 -2.548 574 HB2 ALA 76 HB2 ALA 76 3.765 13.404 -1.265 575 HB3 ALA 76 HB3 ALA 76 2.630 12.547 -2.306 576 H TYR 77 H TYR 77 5.050 9.332 -0.529 577 HA TYR 77 HA TYR 77 7.162 10.843 0.899 578 HB2 TYR 77 HB2 TYR 77 6.871 7.859 1.208 579 HB3 TYR 77 HB3 TYR 77 7.694 9.014 2.243 580 HD1 TYR 77 HD1 TYR 77 6.029 10.827 3.343 581 HD2 TYR 77 HD2 TYR 77 4.925 6.950 1.981 582 HE1 TYR 77 HE1 TYR 77 4.098 10.845 4.866 583 HE2 TYR 77 HE2 TYR 77 2.992 6.950 3.497 584 HH TYR 77 HH TYR 77 1.882 9.749 5.048 585 H LYS 78 H LYS 78 9.152 10.828 -0.037 586 HA LYS 78 HA LYS 78 9.579 9.030 -2.278 587 HB2 LYS 78 HB2 LYS 78 11.019 11.420 -1.249 588 HB3 LYS 78 HB3 LYS 78 11.925 10.233 -2.182 589 HG2 LYS 78 HG2 LYS 78 11.181 11.321 -3.979 590 HG3 LYS 78 HG3 LYS 78 9.663 10.516 -3.647 591 HD2 LYS 78 HD2 LYS 78 9.337 12.568 -2.026 592 HD3 LYS 78 HD3 LYS 78 10.436 13.325 -3.190 593 HE2 LYS 78 HE2 LYS 78 8.991 12.628 -5.018 594 HE3 LYS 78 HE3 LYS 78 7.924 11.823 -3.855 595 HZ1 LYS 78 HZ1 LYS 78 8.472 14.754 -3.960 596 HZ2 LYS 78 HZ2 LYS 78 7.423 13.984 -2.886 597 HZ3 LYS 78 HZ3 LYS 78 7.073 14.003 -4.537 598 H ALA 79 H ALA 79 11.807 7.840 -2.284 599 HA ALA 79 HA ALA 79 11.779 5.979 -0.211 600 HB1 ALA 79 HB1 ALA 79 14.096 6.653 -2.018 601 HB2 ALA 79 HB2 ALA 79 12.783 5.540 -2.399 602 HB3 ALA 79 HB3 ALA 79 13.901 5.169 -1.084 603 H THR 80 H THR 80 13.394 9.025 -0.487 604 HA THR 80 HA THR 80 15.303 8.594 1.592 605 HB THR 80 HB THR 80 15.665 10.253 -0.194 606 HG1 THR 80 HG1 THR 80 16.199 12.054 1.356 607 HG21 THR 80 HG21 THR 80 13.390 11.107 -0.421 608 HG22 THR 80 HG22 THR 80 14.524 12.423 -0.114 609 HG23 THR 80 HG23 THR 80 13.491 11.829 1.185 610 H ASP 81 H ASP 81 11.983 9.600 1.470 611 HA ASP 81 HA ASP 81 11.942 10.772 4.096 612 HB2 ASP 81 HB2 ASP 81 9.690 9.850 2.293 613 HB3 ASP 81 HB3 ASP 81 9.465 10.716 3.806 614 H LEU 82 H LEU 82 10.761 7.758 2.632 615 HA LEU 82 HA LEU 82 9.854 6.497 4.900 616 HB2 LEU 82 HB2 LEU 82 11.084 5.435 2.373 617 HB3 LEU 82 HB3 LEU 82 10.344 4.392 3.576 618 HG LEU 82 HG LEU 82 8.449 4.686 2.427 619 HD11 LEU 82 HD11 LEU 82 8.532 7.518 3.362 620 HD12 LEU 82 HD12 LEU 82 8.033 6.149 4.348 621 HD13 LEU 82 HD13 LEU 82 7.101 6.587 2.918 622 HD21 LEU 82 HD21 LEU 82 9.618 7.097 1.107 623 HD22 LEU 82 HD22 LEU 82 8.131 6.272 0.639 624 HD23 LEU 82 HD23 LEU 82 9.682 5.446 0.492 625 H LYS 83 H LYS 83 13.131 6.231 3.491 626 HA LYS 83 HA LYS 83 14.088 4.509 5.515 627 HB2 LYS 83 HB2 LYS 83 15.161 4.793 3.300 628 HB3 LYS 83 HB3 LYS 83 15.681 6.395 3.802 629 HG2 LYS 83 HG2 LYS 83 17.109 5.502 5.478 630 HG3 LYS 83 HG3 LYS 83 16.447 3.883 5.259 631 HD2 LYS 83 HD2 LYS 83 18.479 3.786 4.130 632 HD3 LYS 83 HD3 LYS 83 17.317 4.087 2.842 633 HE2 LYS 83 HE2 LYS 83 18.897 6.263 4.197 634 HE3 LYS 83 HE3 LYS 83 19.443 5.434 2.744 635 HZ1 LYS 83 HZ1 LYS 83 17.283 6.173 1.721 636 HZ2 LYS 83 HZ2 LYS 83 18.407 7.392 2.036 637 HZ3 LYS 83 HZ3 LYS 83 17.082 7.186 3.063 638 H ARG 84 H ARG 84 14.082 8.024 5.208 639 HA ARG 84 HA ARG 84 15.568 8.810 7.365 640 HB2 ARG 84 HB2 ARG 84 13.767 9.965 5.645 641 HB3 ARG 84 HB3 ARG 84 13.022 10.180 7.217 642 HG2 ARG 84 HG2 ARG 84 14.649 11.567 7.971 643 HG3 ARG 84 HG3 ARG 84 15.893 10.807 6.972 644 HD2 ARG 84 HD2 ARG 84 15.047 11.845 5.021 645 HD3 ARG 84 HD3 ARG 84 13.669 12.508 5.894 646 HE ARG 84 HE ARG 84 16.330 13.320 6.776 647 HH11 ARG 84 HH11 ARG 84 13.403 14.111 5.019 648 HH12 ARG 84 HH12 ARG 84 13.730 15.813 4.986 649 HH21 ARG 84 HH21 ARG 84 16.762 15.566 6.737 650 HH22 ARG 84 HH22 ARG 84 15.648 16.639 5.954 651 H MET 85 H MET 85 12.235 7.757 7.237 652 HA MET 85 HA MET 85 11.741 7.951 10.045 653 HB2 MET 85 HB2 MET 85 10.277 6.424 7.892 654 HB3 MET 85 HB3 MET 85 9.690 6.658 9.526 655 HG2 MET 85 HG2 MET 85 9.480 8.999 9.183 656 HG3 MET 85 HG3 MET 85 10.299 8.896 7.628 657 HE1 MET 85 HE1 MET 85 7.108 7.835 9.657 658 HE2 MET 85 HE2 MET 85 7.641 6.306 8.959 659 HE3 MET 85 HE3 MET 85 6.138 7.050 8.413 660 H GLY 86 H GLY 86 12.729 5.379 7.859 661 HA2 GLY 86 HA2 GLY 86 13.738 3.340 8.366 662 HA3 GLY 86 HA3 GLY 86 13.593 3.724 10.075 663 H ILE 87 H ILE 87 10.713 4.210 8.537 664 HA ILE 87 HA ILE 87 9.602 1.620 8.517 665 HB ILE 87 HB ILE 87 9.795 2.434 11.039 666 HG12 ILE 87 HG12 ILE 87 7.100 1.434 10.133 667 HG13 ILE 87 HG13 ILE 87 8.522 0.413 10.042 668 HG21 ILE 87 HG21 ILE 87 8.761 4.591 10.633 669 HG22 ILE 87 HG22 ILE 87 7.773 3.634 11.741 670 HG23 ILE 87 HG23 ILE 87 7.308 3.785 10.041 671 HD11 ILE 87 HD11 ILE 87 7.272 -0.054 12.037 672 HD12 ILE 87 HD12 ILE 87 7.362 1.638 12.520 673 HD13 ILE 87 HD13 ILE 87 8.828 0.660 12.458 674 H VAL 88 H VAL 88 7.377 1.747 7.875 675 HA VAL 88 HA VAL 88 6.576 4.377 6.842 676 HB VAL 88 HB VAL 88 5.596 3.086 4.881 677 HG11 VAL 88 HG11 VAL 88 7.899 2.868 3.810 678 HG12 VAL 88 HG12 VAL 88 8.550 3.346 5.389 679 HG13 VAL 88 HG13 VAL 88 7.482 4.434 4.496 680 HG21 VAL 88 HG21 VAL 88 6.660 0.930 4.368 681 HG22 VAL 88 HG22 VAL 88 5.742 0.845 5.874 682 HG23 VAL 88 HG23 VAL 88 7.508 0.979 5.922 683 H THR 89 H THR 89 4.438 4.877 7.089 684 HA THR 89 HA THR 89 2.810 2.817 8.402 685 HB THR 89 HB THR 89 2.263 5.754 8.716 686 HG1 THR 89 HG1 THR 89 4.346 4.270 9.776 687 HG21 THR 89 HG21 THR 89 1.219 4.939 10.803 688 HG22 THR 89 HG22 THR 89 1.682 3.283 10.372 689 HG23 THR 89 HG23 THR 89 0.526 4.173 9.368 690 H SER 90 H SER 90 0.901 2.342 7.610 691 HA SER 90 HA SER 90 0.336 3.245 4.946 692 HB2 SER 90 HB2 SER 90 -0.722 1.054 6.726 693 HB3 SER 90 HB3 SER 90 -1.364 1.364 5.090 694 HG SER 90 HG SER 90 1.099 0.331 5.900 695 H LEU 91 H LEU 91 -2.212 3.205 4.454 696 HA LEU 91 HA LEU 91 -3.111 5.694 5.239 697 HB2 LEU 91 HB2 LEU 91 -3.800 4.013 3.315 698 HB3 LEU 91 HB3 LEU 91 -5.112 3.636 4.406 699 HG LEU 91 HG LEU 91 -6.123 5.652 4.140 700 HD11 LEU 91 HD11 LEU 91 -3.405 6.749 3.570 701 HD12 LEU 91 HD12 LEU 91 -4.456 7.106 4.942 702 HD13 LEU 91 HD13 LEU 91 -4.886 7.670 3.325 703 HD21 LEU 91 HD21 LEU 91 -6.075 6.276 1.832 704 HD22 LEU 91 HD22 LEU 91 -5.942 4.518 1.973 705 HD23 LEU 91 HD23 LEU 91 -4.512 5.490 1.623 706 H GLU 92 H GLU 92 -3.893 2.528 6.583 707 HA GLU 92 HA GLU 92 -5.864 3.654 8.395 708 HB2 GLU 92 HB2 GLU 92 -5.846 1.204 9.306 709 HB3 GLU 92 HB3 GLU 92 -6.577 1.541 7.734 710 HG2 GLU 92 HG2 GLU 92 -5.104 -0.525 7.861 711 HG3 GLU 92 HG3 GLU 92 -4.699 0.625 6.586 712 H GLY 93 H GLY 93 -2.529 3.111 8.322 713 HA2 GLY 93 HA2 GLY 93 -1.235 4.184 10.094 714 HA3 GLY 93 HA3 GLY 93 -2.385 3.522 11.241 715 H SER 94 H SER 94 -1.354 1.433 8.634 716 HA SER 94 HA SER 94 -0.150 -0.258 10.561 717 HB2 SER 94 HB2 SER 94 -0.482 -1.965 9.046 718 HB3 SER 94 HB3 SER 94 -1.810 -0.869 8.610 719 HG SER 94 HG SER 94 -0.908 -0.600 6.755 720 H THR 95 H THR 95 1.930 -0.264 11.045 721 HA THR 95 HA THR 95 3.796 1.145 9.338 722 HB THR 95 HB THR 95 5.232 0.244 11.511 723 HG1 THR 95 HG1 THR 95 3.801 -0.278 12.973 724 HG21 THR 95 HG21 THR 95 3.656 2.804 11.254 725 HG22 THR 95 HG22 THR 95 5.235 2.493 10.532 726 HG23 THR 95 HG23 THR 95 5.063 2.545 12.289 727 H ILE 96 H ILE 96 5.462 0.347 8.296 728 HA ILE 96 HA ILE 96 6.237 -2.461 8.648 729 HB ILE 96 HB ILE 96 5.853 -1.028 6.019 730 HG12 ILE 96 HG12 ILE 96 4.648 -3.332 5.589 731 HG13 ILE 96 HG13 ILE 96 4.543 -3.366 7.347 732 HG21 ILE 96 HG21 ILE 96 7.284 -3.610 6.558 733 HG22 ILE 96 HG22 ILE 96 7.949 -2.138 5.847 734 HG23 ILE 96 HG23 ILE 96 6.750 -3.084 4.963 735 HD11 ILE 96 HD11 ILE 96 2.516 -2.461 6.358 736 HD12 ILE 96 HD12 ILE 96 3.455 -1.194 5.568 737 HD13 ILE 96 HD13 ILE 96 3.344 -1.242 7.328 738 HA PRO 97 HA PRO 97 10.029 -0.272 9.432 739 HB2 PRO 97 HB2 PRO 97 11.474 -2.794 9.259 740 HB3 PRO 97 HB3 PRO 97 11.152 -1.793 10.674 741 HG2 PRO 97 HG2 PRO 97 10.009 -4.233 10.250 742 HG3 PRO 97 HG3 PRO 97 9.268 -2.954 11.224 743 HD2 PRO 97 HD2 PRO 97 8.645 -3.837 8.449 744 HD3 PRO 97 HD3 PRO 97 7.562 -3.231 9.717 745 H ILE 98 H ILE 98 11.354 0.752 8.215 746 HA ILE 98 HA ILE 98 12.062 -0.277 5.587 747 HB ILE 98 HB ILE 98 12.282 2.476 6.803 748 HG12 ILE 98 HG12 ILE 98 10.009 1.779 6.208 749 HG13 ILE 98 HG13 ILE 98 10.582 3.058 5.139 750 HG21 ILE 98 HG21 ILE 98 14.142 2.168 5.315 751 HG22 ILE 98 HG22 ILE 98 12.955 3.221 4.545 752 HG23 ILE 98 HG23 ILE 98 13.082 1.531 4.061 753 HD11 ILE 98 HD11 ILE 98 10.699 0.148 4.427 754 HD12 ILE 98 HD12 ILE 98 10.923 1.538 3.363 755 HD13 ILE 98 HD13 ILE 98 9.328 1.192 4.051 756 H HIS 99 H HIS 99 14.008 -0.784 5.015 757 HA HIS 99 HA HIS 99 16.281 -0.232 6.806 758 HB2 HIS 99 HB2 HIS 99 15.787 -2.648 5.104 759 HB3 HIS 99 HB3 HIS 99 17.328 -2.306 5.855 760 HD1 HIS 99 HD1 HIS 99 17.646 -3.689 7.863 761 HD2 HIS 99 HD2 HIS 99 13.651 -2.672 7.329 762 HE1 HIS 99 HE1 HIS 99 16.409 -4.787 9.753 763 HE2 HIS 99 HE2 HIS 99 13.980 -4.309 9.303 764 H GLY 100 H GLY 100 18.427 -0.449 5.333 765 HA2 GLY 100 HA2 GLY 100 18.335 -0.187 2.593 766 HA3 GLY 100 HA3 GLY 100 18.103 1.438 3.206 767 H ASP 101 H ASP 101 20.341 -0.947 2.380 768 HA ASP 101 HA ASP 101 22.511 0.570 3.669 769 HB2 ASP 101 HB2 ASP 101 22.540 -1.872 4.066 770 HB3 ASP 101 HB3 ASP 101 22.646 -2.142 2.328 771 H ASN 102 H ASN 102 21.415 -0.718 0.564 772 HA ASN 102 HA ASN 102 22.952 1.438 -0.699 773 HB2 ASN 102 HB2 ASN 102 24.061 -0.690 -1.188 774 HB3 ASN 102 HB3 ASN 102 22.570 -1.334 -1.842 775 HD21 ASN 102 HD21 ASN 102 25.248 0.770 -2.373 776 HD22 ASN 102 HD22 ASN 102 24.936 1.089 -4.042 777 HA PRO 103 HA PRO 103 18.739 1.280 -2.897 778 HB2 PRO 103 HB2 PRO 103 17.210 -0.878 -2.994 779 HB3 PRO 103 HB3 PRO 103 18.658 -0.802 -4.012 780 HG2 PRO 103 HG2 PRO 103 18.316 -2.121 -1.334 781 HG3 PRO 103 HG3 PRO 103 18.982 -2.813 -2.823 782 HD2 PRO 103 HD2 PRO 103 20.562 -1.795 -0.879 783 HD3 PRO 103 HD3 PRO 103 20.976 -1.723 -2.594 784 H LEU 104 H LEU 104 16.388 1.388 -2.170 785 HA LEU 104 HA LEU 104 16.158 1.582 0.678 786 HB2 LEU 104 HB2 LEU 104 14.842 3.006 -0.923 787 HB3 LEU 104 HB3 LEU 104 13.947 1.569 -1.361 788 HG LEU 104 HG LEU 104 13.356 1.421 1.147 789 HD11 LEU 104 HD11 LEU 104 14.905 3.067 1.986 790 HD12 LEU 104 HD12 LEU 104 13.246 3.608 2.268 791 HD13 LEU 104 HD13 LEU 104 14.192 4.304 0.950 792 HD21 LEU 104 HD21 LEU 104 11.560 3.221 0.768 793 HD22 LEU 104 HD22 LEU 104 11.607 1.813 -0.289 794 HD23 LEU 104 HD23 LEU 104 12.268 3.355 -0.845 795 H GLU 105 H GLU 105 14.696 0.321 1.971 796 HA GLU 105 HA GLU 105 14.255 -2.383 0.953 797 HB2 GLU 105 HB2 GLU 105 15.786 -1.718 3.469 798 HB3 GLU 105 HB3 GLU 105 15.303 -3.336 2.979 799 HG2 GLU 105 HG2 GLU 105 16.789 -1.899 0.928 800 HG3 GLU 105 HG3 GLU 105 17.696 -2.132 2.427 801 H VAL 106 H VAL 106 12.326 -3.024 1.469 802 HA VAL 106 HA VAL 106 10.974 -1.814 3.781 803 HB VAL 106 HB VAL 106 10.005 -0.634 2.070 804 HG11 VAL 106 HG11 VAL 106 9.492 -1.617 -0.169 805 HG12 VAL 106 HG12 VAL 106 10.364 -3.062 0.345 806 HG13 VAL 106 HG13 VAL 106 11.206 -1.510 0.235 807 HG21 VAL 106 HG21 VAL 106 8.187 -1.792 3.207 808 HG22 VAL 106 HG22 VAL 106 8.338 -3.148 2.090 809 HG23 VAL 106 HG23 VAL 106 7.803 -1.576 1.496 810 H LYS 107 H LYS 107 10.180 -3.293 5.144 811 HA LYS 107 HA LYS 107 9.865 -5.330 6.080 812 HB2 LYS 107 HB2 LYS 107 8.046 -6.667 5.118 813 HB3 LYS 107 HB3 LYS 107 7.651 -4.962 5.156 814 HG2 LYS 107 HG2 LYS 107 8.461 -4.996 2.684 815 HG3 LYS 107 HG3 LYS 107 8.193 -6.729 2.823 816 HD2 LYS 107 HD2 LYS 107 6.130 -4.610 3.410 817 HD3 LYS 107 HD3 LYS 107 6.241 -5.524 1.906 818 HE2 LYS 107 HE2 LYS 107 5.856 -6.763 4.622 819 HE3 LYS 107 HE3 LYS 107 4.540 -6.377 3.519 820 HZ1 LYS 107 HZ1 LYS 107 5.521 -7.883 1.881 821 HZ2 LYS 107 HZ2 LYS 107 5.186 -8.695 3.332 822 HZ3 LYS 107 HZ3 LYS 107 6.775 -8.262 2.961 823 H ASN 108 H ASN 108 9.238 -7.650 3.965 824 HA ASN 108 HA ASN 108 11.982 -8.597 3.961 825 HB2 ASN 108 HB2 ASN 108 10.967 -10.724 3.118 826 HB3 ASN 108 HB3 ASN 108 10.318 -10.198 4.665 827 HD21 ASN 108 HD21 ASN 108 9.165 -11.976 2.657 828 HD22 ASN 108 HD22 ASN 108 7.643 -11.275 2.219 829 H ALA 109 H ALA 109 11.125 -6.373 2.236 830 HA ALA 109 HA ALA 109 11.660 -7.570 -0.398 831 HB1 ALA 109 HB1 ALA 109 9.897 -5.172 0.110 832 HB2 ALA 109 HB2 ALA 109 9.301 -6.825 -0.119 833 HB3 ALA 109 HB3 ALA 109 10.161 -6.004 -1.424 834 H THR 110 H THR 110 12.536 -6.000 -1.964 835 HA THR 110 HA THR 110 14.280 -4.007 -0.763 836 HB THR 110 HB THR 110 15.042 -5.940 -2.974 837 HG1 THR 110 HG1 THR 110 15.892 -5.757 -0.240 838 HG21 THR 110 HG21 THR 110 16.656 -3.819 -1.540 839 HG22 THR 110 HG22 THR 110 16.113 -3.760 -3.218 840 HG23 THR 110 HG23 THR 110 17.295 -4.970 -2.715 841 H VAL 111 H VAL 111 14.493 -2.172 -1.992 842 HA VAL 111 HA VAL 111 12.429 -1.862 -3.999 843 HB VAL 111 HB VAL 111 14.259 0.059 -2.623 844 HG11 VAL 111 HG11 VAL 111 12.276 0.719 -4.798 845 HG12 VAL 111 HG12 VAL 111 14.030 0.800 -4.960 846 HG13 VAL 111 HG13 VAL 111 13.197 1.879 -3.842 847 HG21 VAL 111 HG21 VAL 111 12.401 -0.660 -1.334 848 HG22 VAL 111 HG22 VAL 111 11.297 -0.396 -2.682 849 HG23 VAL 111 HG23 VAL 111 12.069 0.977 -1.894 850 H LEU 112 H LEU 112 12.672 -1.996 -6.071 851 HA LEU 112 HA LEU 112 15.293 -2.093 -7.265 852 HB2 LEU 112 HB2 LEU 112 12.537 -2.451 -8.420 853 HB3 LEU 112 HB3 LEU 112 13.996 -2.483 -9.379 854 HG LEU 112 HG LEU 112 14.728 -4.403 -7.805 855 HD11 LEU 112 HD11 LEU 112 12.317 -3.689 -6.649 856 HD12 LEU 112 HD12 LEU 112 13.296 -5.116 -6.273 857 HD13 LEU 112 HD13 LEU 112 11.984 -5.229 -7.476 858 HD21 LEU 112 HD21 LEU 112 12.477 -4.758 -9.786 859 HD22 LEU 112 HD22 LEU 112 13.542 -6.037 -9.200 860 HD23 LEU 112 HD23 LEU 112 14.200 -4.714 -10.163 861 H ALA 113 H ALA 113 12.458 -0.023 -7.048 862 HA ALA 113 HA ALA 113 13.908 2.194 -8.168 863 HB1 ALA 113 HB1 ALA 113 13.253 1.058 -10.227 864 HB2 ALA 113 HB2 ALA 113 12.399 2.592 -10.055 865 HB3 ALA 113 HB3 ALA 113 11.569 1.076 -9.707 866 H ALA 114 H ALA 114 13.368 3.671 -6.690 867 HA ALA 114 HA ALA 114 10.523 4.135 -6.228 868 HB1 ALA 114 HB1 ALA 114 11.297 2.917 -4.296 869 HB2 ALA 114 HB2 ALA 114 11.067 4.607 -3.839 870 HB3 ALA 114 HB3 ALA 114 12.692 3.982 -4.147 871 H ASP 115 H ASP 115 10.661 6.274 -4.622 872 HA ASP 115 HA ASP 115 10.822 8.541 -4.711 873 HB2 ASP 115 HB2 ASP 115 13.302 8.082 -4.679 874 HB3 ASP 115 HB3 ASP 115 13.283 8.070 -6.434 875 H ILE 116 H ILE 116 9.480 6.754 -6.613 876 HA ILE 116 HA ILE 116 9.506 8.178 -9.139 877 HB ILE 116 HB ILE 116 7.625 5.980 -8.310 878 HG12 ILE 116 HG12 ILE 116 10.419 5.714 -9.423 879 HG13 ILE 116 HG13 ILE 116 9.832 5.121 -7.890 880 HG21 ILE 116 HG21 ILE 116 8.678 6.688 -11.030 881 HG22 ILE 116 HG22 ILE 116 7.188 7.350 -10.348 882 HG23 ILE 116 HG23 ILE 116 7.335 5.611 -10.630 883 HD11 ILE 116 HD11 ILE 116 8.961 4.140 -10.595 884 HD12 ILE 116 HD12 ILE 116 8.381 3.540 -9.041 885 HD13 ILE 116 HD13 ILE 116 10.070 3.317 -9.496 886 H GLU 117 H GLU 117 8.430 10.158 -8.899 887 HA GLU 117 HA GLU 117 6.207 10.473 -7.341 888 HB2 GLU 117 HB2 GLU 117 6.005 12.509 -9.023 889 HB3 GLU 117 HB3 GLU 117 7.115 12.401 -7.662 890 HG2 GLU 117 HG2 GLU 117 8.892 11.927 -8.853 891 HG3 GLU 117 HG3 GLU 117 7.947 11.273 -10.189 892 H ALA 118 H ALA 118 4.428 9.553 -7.523 893 HA ALA 118 HA ALA 118 3.461 8.451 -10.002 894 HB1 ALA 118 HB1 ALA 118 3.199 6.990 -8.223 895 HB2 ALA 118 HB2 ALA 118 1.580 7.666 -8.421 896 HB3 ALA 118 HB3 ALA 118 2.636 8.256 -7.128 897 H GLU 119 H GLU 119 0.930 8.524 -10.097 898 HA GLU 119 HA GLU 119 0.021 10.853 -11.114 899 HB2 GLU 119 HB2 GLU 119 -2.300 10.002 -10.341 900 HB3 GLU 119 HB3 GLU 119 -1.353 8.998 -11.430 901 HG2 GLU 119 HG2 GLU 119 -0.641 7.604 -9.586 902 HG3 GLU 119 HG3 GLU 119 -1.479 8.642 -8.437 903 H ASN 120 H ASN 120 -0.401 9.861 -7.721 904 HA ASN 120 HA ASN 120 -0.970 12.675 -7.101 905 HB2 ASN 120 HB2 ASN 120 -2.111 10.187 -5.836 906 HB3 ASN 120 HB3 ASN 120 -2.300 11.796 -5.152 907 HD21 ASN 120 HD21 ASN 120 -3.303 9.600 -7.627 908 HD22 ASN 120 HD22 ASN 120 -4.575 10.580 -8.268 909 H GLY 121 H GLY 121 1.211 10.128 -6.587 910 HA2 GLY 121 HA2 GLY 121 2.455 11.590 -4.402 911 HA3 GLY 121 HA3 GLY 121 1.886 9.993 -3.989 912 H ILE 122 H ILE 122 3.156 8.378 -4.315 913 HA ILE 122 HA ILE 122 5.415 8.530 -6.134 914 HB ILE 122 HB ILE 122 5.626 8.256 -3.147 915 HG12 ILE 122 HG12 ILE 122 5.697 10.488 -4.350 916 HG13 ILE 122 HG13 ILE 122 7.044 10.133 -3.263 917 HG21 ILE 122 HG21 ILE 122 7.673 7.515 -5.211 918 HG22 ILE 122 HG22 ILE 122 6.974 6.477 -3.965 919 HG23 ILE 122 HG23 ILE 122 8.046 7.809 -3.514 920 HD11 ILE 122 HD11 ILE 122 7.416 11.096 -5.714 921 HD12 ILE 122 HD12 ILE 122 7.359 9.375 -6.114 922 HD13 ILE 122 HD13 ILE 122 8.556 9.979 -4.961 923 H ILE 123 H ILE 123 6.150 6.592 -6.839 924 HA ILE 123 HA ILE 123 4.800 4.151 -5.856 925 HB ILE 123 HB ILE 123 5.742 4.919 -8.621 926 HG12 ILE 123 HG12 ILE 123 3.180 3.549 -7.861 927 HG13 ILE 123 HG13 ILE 123 3.360 5.281 -7.629 928 HG21 ILE 123 HG21 ILE 123 5.076 2.118 -7.696 929 HG22 ILE 123 HG22 ILE 123 6.674 2.693 -8.174 930 HG23 ILE 123 HG23 ILE 123 5.370 2.616 -9.363 931 HD11 ILE 123 HD11 ILE 123 3.678 3.830 -10.245 932 HD12 ILE 123 HD12 ILE 123 3.771 5.576 -9.995 933 HD13 ILE 123 HD13 ILE 123 2.249 4.727 -9.732 934 H HIS 124 H HIS 124 6.107 2.243 -5.645 935 HA HIS 124 HA HIS 124 8.963 2.600 -5.915 936 HB2 HIS 124 HB2 HIS 124 9.353 3.125 -3.866 937 HB3 HIS 124 HB3 HIS 124 7.613 3.114 -3.541 938 HD1 HIS 124 HD1 HIS 124 10.153 2.504 -1.673 939 HD2 HIS 124 HD2 HIS 124 7.293 -0.146 -3.077 940 HE1 HIS 124 HE1 HIS 124 9.943 0.743 0.099 941 HE2 HIS 124 HE2 HIS 124 8.151 -0.807 -0.737 942 H VAL 125 H VAL 125 9.702 0.966 -6.814 943 HA VAL 125 HA VAL 125 8.141 -1.462 -6.992 944 HB VAL 125 HB VAL 125 10.814 -0.835 -8.263 945 HG11 VAL 125 HG11 VAL 125 10.306 -3.211 -8.217 946 HG12 VAL 125 HG12 VAL 125 10.201 -2.586 -9.862 947 HG13 VAL 125 HG13 VAL 125 8.729 -2.904 -8.944 948 HG21 VAL 125 HG21 VAL 125 9.524 -0.251 -10.270 949 HG22 VAL 125 HG22 VAL 125 9.158 0.821 -8.919 950 HG23 VAL 125 HG23 VAL 125 8.029 -0.460 -9.361 951 H ILE 126 H ILE 126 8.462 -3.256 -5.849 952 HA ILE 126 HA ILE 126 11.039 -3.532 -4.444 953 HB ILE 126 HB ILE 126 9.982 -4.571 -2.572 954 HG12 ILE 126 HG12 ILE 126 7.924 -5.178 -4.267 955 HG13 ILE 126 HG13 ILE 126 7.898 -5.400 -2.525 956 HG21 ILE 126 HG21 ILE 126 8.657 -1.967 -3.280 957 HG22 ILE 126 HG22 ILE 126 10.212 -2.201 -2.464 958 HG23 ILE 126 HG23 ILE 126 8.717 -2.683 -1.662 959 HD11 ILE 126 HD11 ILE 126 5.881 -4.283 -3.344 960 HD12 ILE 126 HD12 ILE 126 6.873 -2.963 -3.967 961 HD13 ILE 126 HD13 ILE 126 6.797 -3.269 -2.229 962 H ASP 127 H ASP 127 11.475 -5.666 -3.760 963 HA ASP 127 HA ASP 127 11.283 -7.292 -6.138 964 HB2 ASP 127 HB2 ASP 127 13.485 -6.642 -5.433 965 HB3 ASP 127 HB3 ASP 127 13.212 -7.253 -3.825 966 H THR 128 H THR 128 9.621 -7.079 -3.434 967 HA THR 128 HA THR 128 8.763 -9.803 -3.438 968 HB THR 128 HB THR 128 10.366 -8.708 -1.150 969 HG1 THR 128 HG1 THR 128 10.861 -10.446 -3.036 970 HG21 THR 128 HG21 THR 128 8.302 -10.893 -1.012 971 HG22 THR 128 HG22 THR 128 8.359 -9.392 -0.078 972 HG23 THR 128 HG23 THR 128 9.566 -10.650 0.195 973 H VAL 129 H VAL 129 6.615 -9.798 -3.012 974 HA VAL 129 HA VAL 129 5.271 -7.476 -2.127 975 HB VAL 129 HB VAL 129 4.334 -10.351 -2.373 976 HG11 VAL 129 HG11 VAL 129 3.046 -9.146 -0.697 977 HG12 VAL 129 HG12 VAL 129 2.087 -9.475 -2.138 978 HG13 VAL 129 HG13 VAL 129 2.733 -7.860 -1.858 979 HG21 VAL 129 HG21 VAL 129 4.923 -9.227 -4.486 980 HG22 VAL 129 HG22 VAL 129 3.812 -7.917 -4.084 981 HG23 VAL 129 HG23 VAL 129 3.191 -9.542 -4.370 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -21.009 15.935 -2.873 2 H2 MET 1 H2 MET 1 -20.815 15.194 -1.366 3 H3 MET 1 H3 MET 1 -21.684 14.411 -2.587 4 HA MET 1 HA MET 1 -19.710 14.217 -3.932 5 HB2 MET 1 HB2 MET 1 -18.565 16.233 -3.090 6 HB3 MET 1 HB3 MET 1 -18.325 15.445 -1.537 7 HG2 MET 1 HG2 MET 1 -16.981 13.707 -2.694 8 HG3 MET 1 HG3 MET 1 -17.130 14.643 -4.179 9 HE1 MET 1 HE1 MET 1 -14.865 16.041 -0.406 10 HE2 MET 1 HE2 MET 1 -15.649 14.471 -0.574 11 HE3 MET 1 HE3 MET 1 -16.624 15.935 -0.459 12 H ALA 2 H ALA 2 -19.509 12.079 -3.923 13 HA ALA 2 HA ALA 2 -18.970 10.752 -1.348 14 HB1 ALA 2 HB1 ALA 2 -20.019 8.749 -2.215 15 HB2 ALA 2 HB2 ALA 2 -20.305 9.540 -3.766 16 HB3 ALA 2 HB3 ALA 2 -21.143 10.107 -2.320 17 H THR 3 H THR 3 -16.873 10.416 -1.255 18 HA THR 3 HA THR 3 -15.109 10.073 -3.400 19 HB THR 3 HB THR 3 -14.823 9.055 -0.559 20 HG1 THR 3 HG1 THR 3 -15.007 11.175 -0.239 21 HG21 THR 3 HG21 THR 3 -13.145 8.179 -2.191 22 HG22 THR 3 HG22 THR 3 -12.448 9.167 -0.908 23 HG23 THR 3 HG23 THR 3 -12.667 9.846 -2.523 24 H ILE 4 H ILE 4 -14.088 8.190 -4.202 25 HA ILE 4 HA ILE 4 -15.785 6.134 -4.920 26 HB ILE 4 HB ILE 4 -13.624 4.887 -5.546 27 HG12 ILE 4 HG12 ILE 4 -11.687 6.543 -5.792 28 HG13 ILE 4 HG13 ILE 4 -12.513 7.529 -4.594 29 HG21 ILE 4 HG21 ILE 4 -14.263 7.611 -6.652 30 HG22 ILE 4 HG22 ILE 4 -14.989 6.078 -7.129 31 HG23 ILE 4 HG23 ILE 4 -13.287 6.389 -7.466 32 HD11 ILE 4 HD11 ILE 4 -11.564 4.707 -4.170 33 HD12 ILE 4 HD12 ILE 4 -12.320 5.751 -2.966 34 HD13 ILE 4 HD13 ILE 4 -10.739 6.165 -3.625 35 H VAL 5 H VAL 5 -13.947 6.398 -2.032 36 HA VAL 5 HA VAL 5 -14.294 3.597 -1.332 37 HB VAL 5 HB VAL 5 -12.223 4.412 -0.565 38 HG11 VAL 5 HG11 VAL 5 -12.549 6.758 -0.896 39 HG12 VAL 5 HG12 VAL 5 -11.972 6.479 0.748 40 HG13 VAL 5 HG13 VAL 5 -13.684 6.818 0.457 41 HG21 VAL 5 HG21 VAL 5 -12.451 4.518 1.918 42 HG22 VAL 5 HG22 VAL 5 -13.214 3.128 1.145 43 HG23 VAL 5 HG23 VAL 5 -14.196 4.497 1.668 44 H ASP 6 H ASP 6 -15.553 6.753 -0.602 45 HA ASP 6 HA ASP 6 -17.011 6.293 1.704 46 HB2 ASP 6 HB2 ASP 6 -16.673 8.514 0.621 47 HB3 ASP 6 HB3 ASP 6 -17.810 8.050 -0.631 48 H ILE 7 H ILE 7 -17.942 6.065 -1.655 49 HA ILE 7 HA ILE 7 -20.534 5.169 -1.447 50 HB ILE 7 HB ILE 7 -18.528 4.373 -3.555 51 HG12 ILE 7 HG12 ILE 7 -20.455 6.671 -3.696 52 HG13 ILE 7 HG13 ILE 7 -18.891 6.868 -2.915 53 HG21 ILE 7 HG21 ILE 7 -20.576 3.059 -3.689 54 HG22 ILE 7 HG22 ILE 7 -20.519 4.222 -5.014 55 HG23 ILE 7 HG23 ILE 7 -21.546 4.527 -3.613 56 HD11 ILE 7 HD11 ILE 7 -18.904 7.607 -5.250 57 HD12 ILE 7 HD12 ILE 7 -19.275 5.955 -5.750 58 HD13 ILE 7 HD13 ILE 7 -17.747 6.312 -4.940 59 H ALA 8 H ALA 8 -17.639 3.358 -0.732 60 HA ALA 8 HA ALA 8 -18.611 0.754 -1.129 61 HB1 ALA 8 HB1 ALA 8 -16.265 1.184 -0.680 62 HB2 ALA 8 HB2 ALA 8 -16.915 0.051 0.505 63 HB3 ALA 8 HB3 ALA 8 -16.658 1.742 0.946 64 H VAL 9 H VAL 9 -18.992 2.994 1.581 65 HA VAL 9 HA VAL 9 -20.573 1.150 3.135 66 HB VAL 9 HB VAL 9 -20.469 4.154 3.441 67 HG11 VAL 9 HG11 VAL 9 -20.940 3.649 5.807 68 HG12 VAL 9 HG12 VAL 9 -21.070 1.939 5.398 69 HG13 VAL 9 HG13 VAL 9 -22.222 3.095 4.731 70 HG21 VAL 9 HG21 VAL 9 -18.606 2.102 4.626 71 HG22 VAL 9 HG22 VAL 9 -18.637 3.818 5.027 72 HG23 VAL 9 HG23 VAL 9 -18.192 3.301 3.401 73 H ASN 10 H ASN 10 -21.127 3.072 0.435 74 HA ASN 10 HA ASN 10 -23.938 3.618 1.017 75 HB2 ASN 10 HB2 ASN 10 -22.419 5.359 0.006 76 HB3 ASN 10 HB3 ASN 10 -22.315 4.353 -1.425 77 HD21 ASN 10 HD21 ASN 10 -23.177 5.908 -2.712 78 HD22 ASN 10 HD22 ASN 10 -24.834 6.355 -2.646 79 H THR 11 H THR 11 -21.954 1.441 -0.780 80 HA THR 11 HA THR 11 -23.584 0.877 -2.956 81 HB THR 11 HB THR 11 -22.367 -1.399 -2.871 82 HG1 THR 11 HG1 THR 11 -21.734 -0.664 -0.526 83 HG21 THR 11 HG21 THR 11 -21.829 0.435 -4.401 84 HG22 THR 11 HG22 THR 11 -20.370 -0.380 -3.835 85 HG23 THR 11 HG23 THR 11 -20.830 1.180 -3.153 86 HA PRO 12 HA PRO 12 -26.742 -1.635 -1.043 87 HB2 PRO 12 HB2 PRO 12 -27.795 -2.089 -3.702 88 HB3 PRO 12 HB3 PRO 12 -28.468 -1.101 -2.410 89 HG2 PRO 12 HG2 PRO 12 -27.471 -0.060 -4.716 90 HG3 PRO 12 HG3 PRO 12 -27.476 0.811 -3.173 91 HD2 PRO 12 HD2 PRO 12 -25.255 -0.699 -4.489 92 HD3 PRO 12 HD3 PRO 12 -25.220 0.878 -3.678 93 H GLY 13 H GLY 13 -24.599 -3.066 -0.972 94 HA2 GLY 13 HA2 GLY 13 -24.147 -5.341 -0.832 95 HA3 GLY 13 HA3 GLY 13 -25.532 -5.652 -1.866 96 H PHE 14 H PHE 14 -22.702 -3.609 -2.460 97 HA PHE 14 HA PHE 14 -22.232 -4.666 -5.047 98 HB2 PHE 14 HB2 PHE 14 -21.257 -2.518 -3.631 99 HB3 PHE 14 HB3 PHE 14 -19.862 -3.580 -3.701 100 HD1 PHE 14 HD1 PHE 14 -22.441 -1.985 -5.849 101 HD2 PHE 14 HD2 PHE 14 -18.524 -3.627 -5.594 102 HE1 PHE 14 HE1 PHE 14 -21.968 -1.206 -8.135 103 HE2 PHE 14 HE2 PHE 14 -18.045 -2.847 -7.876 104 HZ PHE 14 HZ PHE 14 -19.768 -1.637 -9.152 105 H SER 15 H SER 15 -19.754 -5.405 -5.449 106 HA SER 15 HA SER 15 -19.422 -8.006 -4.513 107 HB2 SER 15 HB2 SER 15 -17.198 -6.163 -5.400 108 HB3 SER 15 HB3 SER 15 -17.276 -7.919 -5.571 109 HG SER 15 HG SER 15 -19.188 -7.496 -6.924 110 H THR 16 H THR 16 -17.837 -8.879 -3.065 111 HA THR 16 HA THR 16 -17.848 -7.745 -0.522 112 HB THR 16 HB THR 16 -15.844 -9.779 -1.506 113 HG1 THR 16 HG1 THR 16 -18.604 -9.924 -1.139 114 HG21 THR 16 HG21 THR 16 -15.470 -8.932 0.775 115 HG22 THR 16 HG22 THR 16 -15.964 -10.625 0.786 116 HG23 THR 16 HG23 THR 16 -17.126 -9.365 1.202 117 H LEU 17 H LEU 17 -15.733 -7.157 -3.175 118 HA LEU 17 HA LEU 17 -13.419 -6.257 -1.981 119 HB2 LEU 17 HB2 LEU 17 -14.883 -5.101 -4.348 120 HB3 LEU 17 HB3 LEU 17 -13.244 -4.672 -3.900 121 HG LEU 17 HG LEU 17 -14.154 -7.437 -4.702 122 HD11 LEU 17 HD11 LEU 17 -14.228 -5.908 -6.579 123 HD12 LEU 17 HD12 LEU 17 -12.864 -7.016 -6.744 124 HD13 LEU 17 HD13 LEU 17 -12.593 -5.355 -6.217 125 HD21 LEU 17 HD21 LEU 17 -11.405 -6.332 -4.134 126 HD22 LEU 17 HD22 LEU 17 -11.749 -7.933 -4.786 127 HD23 LEU 17 HD23 LEU 17 -12.281 -7.513 -3.159 128 H VAL 18 H VAL 18 -16.578 -4.670 -2.061 129 HA VAL 18 HA VAL 18 -15.499 -2.152 -1.118 130 HB VAL 18 HB VAL 18 -17.695 -1.304 -1.068 131 HG11 VAL 18 HG11 VAL 18 -18.615 -1.899 -3.248 132 HG12 VAL 18 HG12 VAL 18 -17.573 -3.323 -3.290 133 HG13 VAL 18 HG13 VAL 18 -16.862 -1.708 -3.303 134 HG21 VAL 18 HG21 VAL 18 -19.730 -2.687 -1.214 135 HG22 VAL 18 HG22 VAL 18 -18.794 -3.030 0.255 136 HG23 VAL 18 HG23 VAL 18 -18.731 -4.141 -1.122 137 H THR 19 H THR 19 -16.820 -5.052 0.202 138 HA THR 19 HA THR 19 -17.155 -3.943 2.822 139 HB THR 19 HB THR 19 -17.091 -6.881 2.305 140 HG1 THR 19 HG1 THR 19 -19.405 -6.577 1.781 141 HG21 THR 19 HG21 THR 19 -17.366 -6.109 4.595 142 HG22 THR 19 HG22 THR 19 -18.879 -6.815 4.026 143 HG23 THR 19 HG23 THR 19 -18.697 -5.061 4.106 144 H ALA 20 H ALA 20 -14.711 -5.624 1.062 145 HA ALA 20 HA ALA 20 -13.172 -6.581 3.193 146 HB1 ALA 20 HB1 ALA 20 -11.412 -6.838 1.605 147 HB2 ALA 20 HB2 ALA 20 -12.185 -5.695 0.507 148 HB3 ALA 20 HB3 ALA 20 -12.942 -7.250 0.834 149 H VAL 21 H VAL 21 -13.127 -3.404 1.591 150 HA VAL 21 HA VAL 21 -11.106 -2.393 3.375 151 HB VAL 21 HB VAL 21 -11.154 -1.153 1.405 152 HG11 VAL 21 HG11 VAL 21 -13.265 -1.959 0.500 153 HG12 VAL 21 HG12 VAL 21 -13.193 -0.200 0.401 154 HG13 VAL 21 HG13 VAL 21 -14.158 -0.974 1.658 155 HG21 VAL 21 HG21 VAL 21 -11.015 0.348 3.267 156 HG22 VAL 21 HG22 VAL 21 -12.772 0.347 3.451 157 HG23 VAL 21 HG23 VAL 21 -12.033 1.098 2.031 158 H LYS 22 H LYS 22 -14.624 -2.451 3.327 159 HA LYS 22 HA LYS 22 -15.093 -0.674 5.436 160 HB2 LYS 22 HB2 LYS 22 -16.621 -2.810 4.070 161 HB3 LYS 22 HB3 LYS 22 -17.214 -2.334 5.636 162 HG2 LYS 22 HG2 LYS 22 -17.252 -0.007 4.799 163 HG3 LYS 22 HG3 LYS 22 -16.864 -0.610 3.208 164 HD2 LYS 22 HD2 LYS 22 -19.262 -1.464 4.787 165 HD3 LYS 22 HD3 LYS 22 -19.260 -0.153 3.614 166 HE2 LYS 22 HE2 LYS 22 -18.548 -1.731 1.876 167 HE3 LYS 22 HE3 LYS 22 -18.616 -3.026 3.049 168 HZ1 LYS 22 HZ1 LYS 22 -20.906 -1.374 2.165 169 HZ2 LYS 22 HZ2 LYS 22 -20.983 -2.594 3.332 170 HZ3 LYS 22 HZ3 LYS 22 -20.615 -2.982 1.729 171 H VAL 23 H VAL 23 -14.558 -4.138 5.364 172 HA VAL 23 HA VAL 23 -14.958 -4.530 8.177 173 HB VAL 23 HB VAL 23 -15.353 -6.356 6.589 174 HG11 VAL 23 HG11 VAL 23 -13.610 -5.812 4.965 175 HG12 VAL 23 HG12 VAL 23 -13.497 -7.496 5.492 176 HG13 VAL 23 HG13 VAL 23 -12.370 -6.294 6.128 177 HG21 VAL 23 HG21 VAL 23 -14.769 -6.848 8.908 178 HG22 VAL 23 HG22 VAL 23 -13.065 -6.904 8.462 179 HG23 VAL 23 HG23 VAL 23 -14.187 -8.106 7.816 180 H ALA 24 H ALA 24 -12.260 -3.989 6.054 181 HA ALA 24 HA ALA 24 -10.223 -4.450 7.988 182 HB1 ALA 24 HB1 ALA 24 -10.016 -2.840 5.475 183 HB2 ALA 24 HB2 ALA 24 -9.920 -4.599 5.532 184 HB3 ALA 24 HB3 ALA 24 -8.712 -3.619 6.368 185 H ASN 25 H ASN 25 -12.448 -2.038 7.572 186 HA ASN 25 HA ASN 25 -12.887 -0.126 8.585 187 HB2 ASN 25 HB2 ASN 25 -12.022 0.294 10.653 188 HB3 ASN 25 HB3 ASN 25 -11.670 -1.405 10.449 189 HD21 ASN 25 HD21 ASN 25 -9.912 1.567 9.478 190 HD22 ASN 25 HD22 ASN 25 -8.438 1.104 10.255 191 H LEU 26 H LEU 26 -10.805 -0.398 6.271 192 HA LEU 26 HA LEU 26 -9.494 2.175 6.499 193 HB2 LEU 26 HB2 LEU 26 -9.364 -0.023 4.498 194 HB3 LEU 26 HB3 LEU 26 -8.845 1.590 4.036 195 HG LEU 26 HG LEU 26 -7.321 1.525 6.076 196 HD11 LEU 26 HD11 LEU 26 -6.649 -0.757 6.756 197 HD12 LEU 26 HD12 LEU 26 -8.038 -1.384 5.874 198 HD13 LEU 26 HD13 LEU 26 -8.280 -0.314 7.255 199 HD21 LEU 26 HD21 LEU 26 -6.870 -0.327 3.746 200 HD22 LEU 26 HD22 LEU 26 -5.609 0.239 4.846 201 HD23 LEU 26 HD23 LEU 26 -6.468 1.392 3.825 202 H VAL 27 H VAL 27 -12.539 1.456 5.900 203 HA VAL 27 HA VAL 27 -13.222 2.803 3.562 204 HB VAL 27 HB VAL 27 -14.601 1.810 5.862 205 HG11 VAL 27 HG11 VAL 27 -15.660 4.449 4.865 206 HG12 VAL 27 HG12 VAL 27 -15.011 4.133 6.476 207 HG13 VAL 27 HG13 VAL 27 -16.499 3.343 5.953 208 HG21 VAL 27 HG21 VAL 27 -14.982 0.922 3.691 209 HG22 VAL 27 HG22 VAL 27 -15.398 2.518 3.048 210 HG23 VAL 27 HG23 VAL 27 -16.480 1.718 4.185 211 H GLU 28 H GLU 28 -12.532 4.020 6.766 212 HA GLU 28 HA GLU 28 -12.976 6.767 5.972 213 HB2 GLU 28 HB2 GLU 28 -11.961 7.153 8.328 214 HB3 GLU 28 HB3 GLU 28 -13.569 6.460 8.171 215 HG2 GLU 28 HG2 GLU 28 -12.695 4.244 8.540 216 HG3 GLU 28 HG3 GLU 28 -11.048 4.874 8.590 217 H ALA 29 H ALA 29 -10.364 4.576 5.906 218 HA ALA 29 HA ALA 29 -8.290 6.511 6.164 219 HB1 ALA 29 HB1 ALA 29 -8.090 3.674 5.190 220 HB2 ALA 29 HB2 ALA 29 -8.009 4.170 6.880 221 HB3 ALA 29 HB3 ALA 29 -6.765 4.696 5.746 222 H LEU 30 H LEU 30 -9.395 4.448 3.483 223 HA LEU 30 HA LEU 30 -7.829 5.478 1.448 224 HB2 LEU 30 HB2 LEU 30 -10.663 4.583 1.071 225 HB3 LEU 30 HB3 LEU 30 -9.370 4.549 -0.106 226 HG LEU 30 HG LEU 30 -9.666 2.807 2.324 227 HD11 LEU 30 HD11 LEU 30 -9.795 1.022 0.688 228 HD12 LEU 30 HD12 LEU 30 -9.591 2.191 -0.617 229 HD13 LEU 30 HD13 LEU 30 -11.040 2.235 0.389 230 HD21 LEU 30 HD21 LEU 30 -7.616 1.687 1.570 231 HD22 LEU 30 HD22 LEU 30 -7.329 3.348 2.096 232 HD23 LEU 30 HD23 LEU 30 -7.376 2.965 0.374 233 H GLN 31 H GLN 31 -10.288 7.064 3.097 234 HA GLN 31 HA GLN 31 -11.512 8.615 1.092 235 HB2 GLN 31 HB2 GLN 31 -11.156 9.248 4.020 236 HB3 GLN 31 HB3 GLN 31 -12.311 10.009 2.931 237 HG2 GLN 31 HG2 GLN 31 -12.331 7.058 3.257 238 HG3 GLN 31 HG3 GLN 31 -13.030 8.076 4.502 239 HE21 GLN 31 HE21 GLN 31 -14.078 6.144 2.467 240 HE22 GLN 31 HE22 GLN 31 -15.420 6.999 1.796 241 H SER 32 H SER 32 -8.375 8.760 2.279 242 HA SER 32 HA SER 32 -7.837 11.512 2.329 243 HB2 SER 32 HB2 SER 32 -5.999 9.221 1.614 244 HB3 SER 32 HB3 SER 32 -5.484 10.845 2.064 245 HG SER 32 HG SER 32 -7.181 9.423 3.792 246 HA PRO 33 HA PRO 33 -8.350 12.110 -2.096 247 HB2 PRO 33 HB2 PRO 33 -8.597 14.774 -1.999 248 HB3 PRO 33 HB3 PRO 33 -9.905 13.697 -1.500 249 HG2 PRO 33 HG2 PRO 33 -7.982 15.262 0.154 250 HG3 PRO 33 HG3 PRO 33 -9.692 14.906 0.454 251 HD2 PRO 33 HD2 PRO 33 -7.549 13.580 1.617 252 HD3 PRO 33 HD3 PRO 33 -9.203 12.951 1.506 253 H GLY 34 H GLY 34 -5.859 13.267 -0.063 254 HA2 GLY 34 HA2 GLY 34 -4.511 14.959 -1.909 255 HA3 GLY 34 HA3 GLY 34 -3.856 14.337 -0.406 256 HA PRO 35 HA PRO 35 -1.302 12.471 -3.586 257 HB2 PRO 35 HB2 PRO 35 0.844 12.003 -1.958 258 HB3 PRO 35 HB3 PRO 35 0.536 13.515 -2.809 259 HG2 PRO 35 HG2 PRO 35 0.252 12.874 0.036 260 HG3 PRO 35 HG3 PRO 35 0.474 14.440 -0.742 261 HD2 PRO 35 HD2 PRO 35 -1.925 13.397 0.298 262 HD3 PRO 35 HD3 PRO 35 -1.743 14.845 -0.705 263 H PHE 36 H PHE 36 -0.049 10.453 -3.791 264 HA PHE 36 HA PHE 36 -1.232 8.253 -2.262 265 HB2 PHE 36 HB2 PHE 36 -2.725 8.070 -3.951 266 HB3 PHE 36 HB3 PHE 36 -1.793 9.077 -5.031 267 HD1 PHE 36 HD1 PHE 36 0.410 7.720 -5.978 268 HD2 PHE 36 HD2 PHE 36 -3.267 6.018 -4.684 269 HE1 PHE 36 HE1 PHE 36 0.810 5.768 -7.419 270 HE2 PHE 36 HE2 PHE 36 -2.862 4.055 -6.107 271 HZ PHE 36 HZ PHE 36 -0.822 3.928 -7.478 272 H THR 37 H THR 37 0.228 6.801 -1.734 273 HA THR 37 HA THR 37 2.731 6.674 -3.269 274 HB THR 37 HB THR 37 2.338 6.621 -0.269 275 HG1 THR 37 HG1 THR 37 3.008 8.611 -0.435 276 HG21 THR 37 HG21 THR 37 4.856 6.096 -1.853 277 HG22 THR 37 HG22 THR 37 3.953 4.902 -0.919 278 HG23 THR 37 HG23 THR 37 4.745 6.248 -0.099 279 H VAL 38 H VAL 38 3.117 4.713 -4.084 280 HA VAL 38 HA VAL 38 1.646 2.462 -2.873 281 HB VAL 38 HB VAL 38 0.880 3.323 -5.180 282 HG11 VAL 38 HG11 VAL 38 3.217 1.701 -6.136 283 HG12 VAL 38 HG12 VAL 38 3.212 3.459 -6.061 284 HG13 VAL 38 HG13 VAL 38 2.062 2.621 -7.103 285 HG21 VAL 38 HG21 VAL 38 0.119 1.223 -4.209 286 HG22 VAL 38 HG22 VAL 38 1.557 0.406 -4.820 287 HG23 VAL 38 HG23 VAL 38 0.366 1.057 -5.946 288 H PHE 39 H PHE 39 2.599 0.450 -2.870 289 HA PHE 39 HA PHE 39 5.487 0.348 -3.430 290 HB2 PHE 39 HB2 PHE 39 3.818 -1.472 -1.662 291 HB3 PHE 39 HB3 PHE 39 5.562 -1.564 -1.881 292 HD1 PHE 39 HD1 PHE 39 7.033 0.104 -0.889 293 HD2 PHE 39 HD2 PHE 39 2.826 0.187 -0.239 294 HE1 PHE 39 HE1 PHE 39 7.359 1.633 1.013 295 HE2 PHE 39 HE2 PHE 39 3.146 1.718 1.659 296 HZ PHE 39 HZ PHE 39 5.414 2.443 2.286 297 H ALA 40 H ALA 40 5.822 -0.480 -5.412 298 HA ALA 40 HA ALA 40 3.778 -2.265 -6.538 299 HB1 ALA 40 HB1 ALA 40 4.691 -1.659 -8.713 300 HB2 ALA 40 HB2 ALA 40 5.961 -0.719 -7.928 301 HB3 ALA 40 HB3 ALA 40 4.275 -0.220 -7.783 302 HA PRO 41 HA PRO 41 6.869 -5.508 -5.993 303 HB2 PRO 41 HB2 PRO 41 5.187 -7.572 -6.474 304 HB3 PRO 41 HB3 PRO 41 5.226 -6.720 -4.926 305 HG2 PRO 41 HG2 PRO 41 3.303 -6.457 -7.193 306 HG3 PRO 41 HG3 PRO 41 2.993 -6.431 -5.449 307 HD2 PRO 41 HD2 PRO 41 3.137 -4.186 -7.020 308 HD3 PRO 41 HD3 PRO 41 3.471 -4.203 -5.278 309 H ASN 42 H ASN 42 8.267 -6.196 -7.511 310 HA ASN 42 HA ASN 42 7.548 -5.984 -10.300 311 HB2 ASN 42 HB2 ASN 42 9.812 -6.053 -10.792 312 HB3 ASN 42 HB3 ASN 42 9.851 -5.418 -9.174 313 HD21 ASN 42 HD21 ASN 42 10.677 -6.596 -7.553 314 HD22 ASN 42 HD22 ASN 42 11.620 -8.022 -7.831 315 H ASP 43 H ASP 43 8.862 -7.932 -11.597 316 HA ASP 43 HA ASP 43 6.994 -10.031 -11.537 317 HB2 ASP 43 HB2 ASP 43 9.675 -9.746 -12.867 318 HB3 ASP 43 HB3 ASP 43 8.752 -11.238 -12.989 319 H ASP 44 H ASP 44 10.006 -9.608 -9.819 320 HA ASP 44 HA ASP 44 10.262 -12.451 -9.241 321 HB2 ASP 44 HB2 ASP 44 12.242 -10.894 -9.510 322 HB3 ASP 44 HB3 ASP 44 11.792 -10.206 -7.958 323 H ALA 45 H ALA 45 8.750 -9.711 -8.006 324 HA ALA 45 HA ALA 45 8.459 -10.623 -5.294 325 HB1 ALA 45 HB1 ALA 45 6.917 -8.715 -5.103 326 HB2 ALA 45 HB2 ALA 45 7.072 -8.445 -6.841 327 HB3 ALA 45 HB3 ALA 45 8.474 -8.250 -5.791 328 H PHE 46 H PHE 46 6.528 -10.451 -8.231 329 HA PHE 46 HA PHE 46 4.242 -11.797 -7.291 330 HB2 PHE 46 HB2 PHE 46 4.531 -10.519 -9.467 331 HB3 PHE 46 HB3 PHE 46 5.392 -11.919 -10.084 332 HD1 PHE 46 HD1 PHE 46 2.133 -10.695 -8.883 333 HD2 PHE 46 HD2 PHE 46 4.228 -13.855 -10.808 334 HE1 PHE 46 HE1 PHE 46 -0.009 -11.710 -9.539 335 HE2 PHE 46 HE2 PHE 46 2.091 -14.878 -11.467 336 HZ PHE 46 HZ PHE 46 -0.032 -13.807 -10.834 337 H ALA 47 H ALA 47 7.390 -12.782 -8.137 338 HA ALA 47 HA ALA 47 6.802 -15.582 -8.501 339 HB1 ALA 47 HB1 ALA 47 8.624 -14.545 -9.750 340 HB2 ALA 47 HB2 ALA 47 9.206 -15.859 -8.730 341 HB3 ALA 47 HB3 ALA 47 9.458 -14.184 -8.239 342 H LYS 48 H LYS 48 7.622 -13.435 -5.941 343 HA LYS 48 HA LYS 48 8.558 -15.206 -3.964 344 HB2 LYS 48 HB2 LYS 48 6.672 -12.902 -3.587 345 HB3 LYS 48 HB3 LYS 48 7.649 -13.677 -2.371 346 HG2 LYS 48 HG2 LYS 48 9.074 -12.550 -4.636 347 HG3 LYS 48 HG3 LYS 48 8.293 -11.451 -3.505 348 HD2 LYS 48 HD2 LYS 48 10.351 -11.686 -2.508 349 HD3 LYS 48 HD3 LYS 48 9.386 -12.920 -1.691 350 HE2 LYS 48 HE2 LYS 48 11.604 -13.722 -2.329 351 HE3 LYS 48 HE3 LYS 48 10.308 -14.633 -3.098 352 HZ1 LYS 48 HZ1 LYS 48 10.685 -13.439 -5.143 353 HZ2 LYS 48 HZ2 LYS 48 12.151 -14.096 -4.620 354 HZ3 LYS 48 HZ3 LYS 48 11.842 -12.449 -4.409 355 H LEU 49 H LEU 49 5.422 -14.308 -5.126 356 HA LEU 49 HA LEU 49 3.790 -14.835 -3.056 357 HB2 LEU 49 HB2 LEU 49 3.191 -15.542 -5.899 358 HB3 LEU 49 HB3 LEU 49 2.041 -15.397 -4.579 359 HG LEU 49 HG LEU 49 3.766 -13.134 -5.574 360 HD11 LEU 49 HD11 LEU 49 1.701 -12.242 -6.497 361 HD12 LEU 49 HD12 LEU 49 0.845 -13.706 -6.008 362 HD13 LEU 49 HD13 LEU 49 2.111 -13.792 -7.233 363 HD21 LEU 49 HD21 LEU 49 2.195 -11.797 -4.193 364 HD22 LEU 49 HD22 LEU 49 3.213 -12.888 -3.255 365 HD23 LEU 49 HD23 LEU 49 1.529 -13.303 -3.566 366 HA PRO 50 HA PRO 50 4.525 -19.217 -2.465 367 HB2 PRO 50 HB2 PRO 50 3.965 -19.115 0.187 368 HB3 PRO 50 HB3 PRO 50 5.522 -18.627 -0.481 369 HG2 PRO 50 HG2 PRO 50 3.309 -16.960 0.559 370 HG3 PRO 50 HG3 PRO 50 5.042 -16.612 0.485 371 HD2 PRO 50 HD2 PRO 50 3.033 -15.663 -1.290 372 HD3 PRO 50 HD3 PRO 50 4.796 -15.498 -1.483 373 H ASP 51 H ASP 51 2.152 -18.287 -0.072 374 HA ASP 51 HA ASP 51 0.001 -19.426 -1.728 375 HB2 ASP 51 HB2 ASP 51 0.448 -19.629 1.252 376 HB3 ASP 51 HB3 ASP 51 -1.140 -19.876 0.533 377 H GLY 52 H GLY 52 1.065 -16.748 -1.581 378 HA2 GLY 52 HA2 GLY 52 0.003 -14.680 -1.799 379 HA3 GLY 52 HA3 GLY 52 -1.389 -15.331 -0.946 380 H THR 53 H THR 53 1.553 -13.589 -0.680 381 HA THR 53 HA THR 53 1.999 -13.602 2.088 382 HB THR 53 HB THR 53 2.306 -11.405 0.064 383 HG1 THR 53 HG1 THR 53 4.565 -12.065 0.205 384 HG21 THR 53 HG21 THR 53 3.970 -10.457 1.701 385 HG22 THR 53 HG22 THR 53 3.308 -11.572 2.898 386 HG23 THR 53 HG23 THR 53 2.275 -10.331 2.179 387 H ILE 54 H ILE 54 0.042 -11.528 0.030 388 HA ILE 54 HA ILE 54 -0.942 -9.814 1.967 389 HB ILE 54 HB ILE 54 -1.662 -10.520 -0.797 390 HG12 ILE 54 HG12 ILE 54 -1.593 -8.039 -1.005 391 HG13 ILE 54 HG13 ILE 54 -1.321 -7.933 0.730 392 HG21 ILE 54 HG21 ILE 54 -3.860 -10.663 0.251 393 HG22 ILE 54 HG22 ILE 54 -3.737 -9.257 -0.804 394 HG23 ILE 54 HG23 ILE 54 -3.636 -9.059 0.945 395 HD11 ILE 54 HD11 ILE 54 0.523 -9.150 -1.309 396 HD12 ILE 54 HD12 ILE 54 0.778 -9.204 0.437 397 HD13 ILE 54 HD13 ILE 54 0.754 -7.651 -0.405 398 H THR 55 H THR 55 -1.787 -13.038 1.188 399 HA THR 55 HA THR 55 -4.331 -13.186 2.368 400 HB THR 55 HB THR 55 -2.251 -15.325 2.085 401 HG1 THR 55 HG1 THR 55 -4.030 -14.131 0.347 402 HG21 THR 55 HG21 THR 55 -5.231 -15.595 2.501 403 HG22 THR 55 HG22 THR 55 -4.029 -15.797 3.776 404 HG23 THR 55 HG23 THR 55 -4.055 -16.909 2.399 405 H SER 56 H SER 56 -1.087 -13.426 3.736 406 HA SER 56 HA SER 56 -2.091 -14.077 6.346 407 HB2 SER 56 HB2 SER 56 0.124 -14.897 5.659 408 HB3 SER 56 HB3 SER 56 0.674 -13.239 5.440 409 HG SER 56 HG SER 56 -0.314 -14.187 7.921 410 H LEU 57 H LEU 57 -1.365 -11.354 4.469 411 HA LEU 57 HA LEU 57 -1.144 -9.401 6.513 412 HB2 LEU 57 HB2 LEU 57 -1.461 -9.406 3.618 413 HB3 LEU 57 HB3 LEU 57 -1.919 -7.942 4.443 414 HG LEU 57 HG LEU 57 0.295 -7.680 5.332 415 HD11 LEU 57 HD11 LEU 57 0.964 -10.295 3.995 416 HD12 LEU 57 HD12 LEU 57 0.847 -10.015 5.733 417 HD13 LEU 57 HD13 LEU 57 2.112 -9.222 4.795 418 HD21 LEU 57 HD21 LEU 57 0.549 -8.434 2.427 419 HD22 LEU 57 HD22 LEU 57 1.505 -7.248 3.316 420 HD23 LEU 57 HD23 LEU 57 -0.204 -6.937 2.991 421 H VAL 58 H VAL 58 -3.822 -10.800 4.719 422 HA VAL 58 HA VAL 58 -5.743 -8.914 5.684 423 HB VAL 58 HB VAL 58 -6.114 -10.310 3.637 424 HG11 VAL 58 HG11 VAL 58 -5.328 -12.440 4.268 425 HG12 VAL 58 HG12 VAL 58 -7.080 -12.606 4.084 426 HG13 VAL 58 HG13 VAL 58 -6.369 -12.479 5.703 427 HG21 VAL 58 HG21 VAL 58 -7.945 -9.153 4.816 428 HG22 VAL 58 HG22 VAL 58 -8.241 -10.620 5.750 429 HG23 VAL 58 HG23 VAL 58 -8.479 -10.625 4.002 430 H GLN 59 H GLN 59 -4.411 -11.934 6.797 431 HA GLN 59 HA GLN 59 -6.291 -12.359 8.874 432 HB2 GLN 59 HB2 GLN 59 -3.446 -13.330 8.860 433 HB3 GLN 59 HB3 GLN 59 -4.859 -14.116 9.555 434 HG2 GLN 59 HG2 GLN 59 -4.787 -13.586 6.652 435 HG3 GLN 59 HG3 GLN 59 -3.842 -14.917 7.273 436 HE21 GLN 59 HE21 GLN 59 -5.981 -15.055 5.456 437 HE22 GLN 59 HE22 GLN 59 -7.268 -15.953 6.185 438 H ASN 60 H ASN 60 -3.401 -10.690 8.379 439 HA ASN 60 HA ASN 60 -2.785 -9.885 11.025 440 HB2 ASN 60 HB2 ASN 60 -1.694 -9.651 8.336 441 HB3 ASN 60 HB3 ASN 60 -1.492 -8.192 9.270 442 HD21 ASN 60 HD21 ASN 60 -0.726 -11.550 9.022 443 HD22 ASN 60 HD22 ASN 60 0.587 -11.542 10.150 444 HA PRO 61 HA PRO 61 -4.804 -5.961 11.848 445 HB2 PRO 61 HB2 PRO 61 -2.254 -4.746 10.816 446 HB3 PRO 61 HB3 PRO 61 -3.235 -4.263 12.202 447 HG2 PRO 61 HG2 PRO 61 -1.054 -5.742 12.542 448 HG3 PRO 61 HG3 PRO 61 -2.513 -6.031 13.506 449 HD2 PRO 61 HD2 PRO 61 -1.336 -7.662 11.353 450 HD3 PRO 61 HD3 PRO 61 -2.444 -8.136 12.652 451 HA PRO 62 HA PRO 62 -7.159 -4.085 8.804 452 HB2 PRO 62 HB2 PRO 62 -5.606 -1.579 9.133 453 HB3 PRO 62 HB3 PRO 62 -7.352 -1.801 9.022 454 HG2 PRO 62 HG2 PRO 62 -6.214 -1.477 11.383 455 HG3 PRO 62 HG3 PRO 62 -7.507 -2.671 11.169 456 HD2 PRO 62 HD2 PRO 62 -4.598 -3.081 11.540 457 HD3 PRO 62 HD3 PRO 62 -5.953 -4.139 11.973 458 H GLN 63 H GLN 63 -3.815 -4.077 8.008 459 HA GLN 63 HA GLN 63 -3.503 -2.455 5.850 460 HB2 GLN 63 HB2 GLN 63 -1.772 -3.959 6.861 461 HB3 GLN 63 HB3 GLN 63 -2.419 -5.246 5.844 462 HG2 GLN 63 HG2 GLN 63 -2.087 -3.681 3.903 463 HG3 GLN 63 HG3 GLN 63 -1.132 -2.691 4.999 464 HE21 GLN 63 HE21 GLN 63 -0.574 -4.243 2.587 465 HE22 GLN 63 HE22 GLN 63 0.772 -5.227 2.982 466 H LEU 64 H LEU 64 -5.446 -5.335 5.845 467 HA LEU 64 HA LEU 64 -5.566 -6.100 3.233 468 HB2 LEU 64 HB2 LEU 64 -6.814 -7.330 4.746 469 HB3 LEU 64 HB3 LEU 64 -7.638 -5.917 5.375 470 HG LEU 64 HG LEU 64 -8.675 -5.723 3.061 471 HD11 LEU 64 HD11 LEU 64 -8.912 -7.849 1.835 472 HD12 LEU 64 HD12 LEU 64 -7.722 -8.574 2.916 473 HD13 LEU 64 HD13 LEU 64 -7.257 -7.242 1.857 474 HD21 LEU 64 HD21 LEU 64 -10.526 -7.058 3.654 475 HD22 LEU 64 HD22 LEU 64 -9.825 -6.463 5.167 476 HD23 LEU 64 HD23 LEU 64 -9.532 -8.125 4.648 477 H GLY 65 H GLY 65 -7.330 -3.465 4.757 478 HA2 GLY 65 HA2 GLY 65 -9.114 -2.789 2.778 479 HA3 GLY 65 HA3 GLY 65 -8.436 -1.643 3.905 480 H ARG 66 H ARG 66 -5.764 -1.764 3.025 481 HA ARG 66 HA ARG 66 -5.973 0.067 0.844 482 HB2 ARG 66 HB2 ARG 66 -4.173 0.851 1.888 483 HB3 ARG 66 HB3 ARG 66 -4.052 -0.608 2.857 484 HG2 ARG 66 HG2 ARG 66 -3.128 -0.970 0.121 485 HG3 ARG 66 HG3 ARG 66 -2.202 0.225 1.027 486 HD2 ARG 66 HD2 ARG 66 -2.889 -2.408 2.256 487 HD3 ARG 66 HD3 ARG 66 -1.527 -2.302 1.139 488 HE ARG 66 HE ARG 66 -1.775 -0.979 3.762 489 HH11 ARG 66 HH11 ARG 66 0.148 -1.718 0.916 490 HH12 ARG 66 HH12 ARG 66 1.656 -1.331 1.668 491 HH21 ARG 66 HH21 ARG 66 0.229 -0.465 4.752 492 HH22 ARG 66 HH22 ARG 66 1.700 -0.621 3.850 493 H ILE 67 H ILE 67 -4.916 -3.221 1.309 494 HA ILE 67 HA ILE 67 -3.585 -3.694 -1.074 495 HB ILE 67 HB ILE 67 -5.322 -5.607 0.475 496 HG12 ILE 67 HG12 ILE 67 -2.403 -4.898 0.818 497 HG13 ILE 67 HG13 ILE 67 -3.701 -4.420 1.897 498 HG21 ILE 67 HG21 ILE 67 -2.990 -6.077 -1.371 499 HG22 ILE 67 HG22 ILE 67 -4.686 -6.443 -1.706 500 HG23 ILE 67 HG23 ILE 67 -3.826 -7.314 -0.434 501 HD11 ILE 67 HD11 ILE 67 -4.100 -6.709 2.510 502 HD12 ILE 67 HD12 ILE 67 -2.404 -6.307 2.757 503 HD13 ILE 67 HD13 ILE 67 -2.893 -7.257 1.357 504 H LEU 68 H LEU 68 -7.022 -4.014 -0.302 505 HA LEU 68 HA LEU 68 -7.943 -5.301 -2.523 506 HB2 LEU 68 HB2 LEU 68 -9.228 -3.156 -0.883 507 HB3 LEU 68 HB3 LEU 68 -10.068 -3.875 -2.236 508 HG LEU 68 HG LEU 68 -10.881 -5.276 -0.712 509 HD11 LEU 68 HD11 LEU 68 -9.397 -6.745 -1.925 510 HD12 LEU 68 HD12 LEU 68 -9.536 -7.252 -0.242 511 HD13 LEU 68 HD13 LEU 68 -8.096 -6.392 -0.789 512 HD21 LEU 68 HD21 LEU 68 -10.053 -5.549 1.536 513 HD22 LEU 68 HD22 LEU 68 -10.040 -3.835 1.098 514 HD23 LEU 68 HD23 LEU 68 -8.534 -4.755 1.092 515 H LYS 69 H LYS 69 -7.753 -1.725 -2.230 516 HA LYS 69 HA LYS 69 -8.763 -1.537 -4.930 517 HB2 LYS 69 HB2 LYS 69 -9.510 -0.003 -3.108 518 HB3 LYS 69 HB3 LYS 69 -7.897 0.700 -3.095 519 HG2 LYS 69 HG2 LYS 69 -8.227 1.266 -5.513 520 HG3 LYS 69 HG3 LYS 69 -9.904 0.758 -5.333 521 HD2 LYS 69 HD2 LYS 69 -9.744 3.164 -5.116 522 HD3 LYS 69 HD3 LYS 69 -10.206 2.454 -3.570 523 HE2 LYS 69 HE2 LYS 69 -8.159 2.903 -2.602 524 HE3 LYS 69 HE3 LYS 69 -7.319 2.961 -4.148 525 HZ1 LYS 69 HZ1 LYS 69 -7.485 5.162 -3.279 526 HZ2 LYS 69 HZ2 LYS 69 -9.151 5.019 -3.045 527 HZ3 LYS 69 HZ3 LYS 69 -8.517 5.056 -4.610 528 H TYR 70 H TYR 70 -5.875 -0.053 -3.355 529 HA TYR 70 HA TYR 70 -4.613 -0.255 -5.998 530 HB2 TYR 70 HB2 TYR 70 -5.094 2.148 -4.412 531 HB3 TYR 70 HB3 TYR 70 -3.440 1.995 -4.992 532 HD1 TYR 70 HD1 TYR 70 -2.992 1.857 -7.426 533 HD2 TYR 70 HD2 TYR 70 -6.889 2.639 -5.920 534 HE1 TYR 70 HE1 TYR 70 -3.675 2.687 -9.636 535 HE2 TYR 70 HE2 TYR 70 -7.585 3.466 -8.123 536 HH TYR 70 HH TYR 70 -5.669 3.038 -10.938 537 H HIS 71 H HIS 71 -4.234 -0.967 -2.705 538 HA HIS 71 HA HIS 71 -2.498 -1.806 -1.487 539 HB2 HIS 71 HB2 HIS 71 -2.057 -3.136 -3.566 540 HB3 HIS 71 HB3 HIS 71 -0.995 -1.855 -4.123 541 HD1 HIS 71 HD1 HIS 71 1.271 -2.816 -4.029 542 HD2 HIS 71 HD2 HIS 71 -0.934 -3.720 -0.622 543 HE1 HIS 71 HE1 HIS 71 2.848 -4.055 -2.512 544 HE2 HIS 71 HE2 HIS 71 1.422 -4.797 -0.576 545 H VAL 72 H VAL 72 -2.967 0.845 -1.397 546 HA VAL 72 HA VAL 72 -0.413 2.242 -1.858 547 HB VAL 72 HB VAL 72 -2.119 2.812 -3.547 548 HG11 VAL 72 HG11 VAL 72 -4.133 4.055 -2.886 549 HG12 VAL 72 HG12 VAL 72 -3.731 3.789 -1.190 550 HG13 VAL 72 HG13 VAL 72 -4.123 2.419 -2.229 551 HG21 VAL 72 HG21 VAL 72 -0.504 4.509 -2.988 552 HG22 VAL 72 HG22 VAL 72 -1.475 5.030 -1.612 553 HG23 VAL 72 HG23 VAL 72 -2.074 5.271 -3.254 554 H VAL 73 H VAL 73 -0.015 4.093 -0.568 555 HA VAL 73 HA VAL 73 -1.722 4.471 1.789 556 HB VAL 73 HB VAL 73 0.192 3.461 2.762 557 HG11 VAL 73 HG11 VAL 73 1.634 3.665 0.708 558 HG12 VAL 73 HG12 VAL 73 2.465 3.948 2.240 559 HG13 VAL 73 HG13 VAL 73 2.003 5.314 1.228 560 HG21 VAL 73 HG21 VAL 73 -0.529 5.561 3.822 561 HG22 VAL 73 HG22 VAL 73 0.709 6.416 2.886 562 HG23 VAL 73 HG23 VAL 73 1.180 5.201 4.077 563 H ALA 74 H ALA 74 -2.412 6.514 1.989 564 HA ALA 74 HA ALA 74 -1.760 8.503 0.049 565 HB1 ALA 74 HB1 ALA 74 -3.941 8.472 1.072 566 HB2 ALA 74 HB2 ALA 74 -3.128 9.984 1.491 567 HB3 ALA 74 HB3 ALA 74 -3.229 8.675 2.676 568 H GLY 75 H GLY 75 -0.533 10.248 0.159 569 HA2 GLY 75 HA2 GLY 75 0.743 11.850 1.514 570 HA3 GLY 75 HA3 GLY 75 1.176 10.497 2.551 571 H ALA 76 H ALA 76 1.873 12.195 -0.315 572 HA ALA 76 HA ALA 76 3.456 10.401 -1.724 573 HB1 ALA 76 HB1 ALA 76 4.361 12.338 -2.858 574 HB2 ALA 76 HB2 ALA 76 3.769 13.394 -1.575 575 HB3 ALA 76 HB3 ALA 76 2.627 12.540 -2.611 576 H TYR 77 H TYR 77 4.948 9.265 -0.639 577 HA TYR 77 HA TYR 77 7.104 10.816 0.676 578 HB2 TYR 77 HB2 TYR 77 6.828 7.900 1.250 579 HB3 TYR 77 HB3 TYR 77 7.504 9.184 2.240 580 HD1 TYR 77 HD1 TYR 77 5.598 10.985 3.003 581 HD2 TYR 77 HD2 TYR 77 4.938 6.904 1.994 582 HE1 TYR 77 HE1 TYR 77 3.556 10.978 4.378 583 HE2 TYR 77 HE2 TYR 77 2.888 6.884 3.348 584 HH TYR 77 HH TYR 77 1.357 9.618 4.410 585 H LYS 78 H LYS 78 8.868 10.910 -0.631 586 HA LYS 78 HA LYS 78 9.565 8.909 -2.480 587 HB2 LYS 78 HB2 LYS 78 11.021 11.155 -1.262 588 HB3 LYS 78 HB3 LYS 78 11.524 10.219 -2.681 589 HG2 LYS 78 HG2 LYS 78 9.351 10.730 -3.721 590 HG3 LYS 78 HG3 LYS 78 9.025 11.822 -2.392 591 HD2 LYS 78 HD2 LYS 78 10.059 13.309 -3.626 592 HD3 LYS 78 HD3 LYS 78 11.453 12.422 -2.987 593 HE2 LYS 78 HE2 LYS 78 11.474 10.962 -4.852 594 HE3 LYS 78 HE3 LYS 78 10.008 11.697 -5.472 595 HZ1 LYS 78 HZ1 LYS 78 12.613 13.103 -5.205 596 HZ2 LYS 78 HZ2 LYS 78 11.201 13.743 -5.882 597 HZ3 LYS 78 HZ3 LYS 78 12.007 12.470 -6.648 598 H ALA 79 H ALA 79 11.715 7.743 -2.294 599 HA ALA 79 HA ALA 79 11.728 6.062 -0.059 600 HB1 ALA 79 HB1 ALA 79 12.683 5.405 -2.210 601 HB2 ALA 79 HB2 ALA 79 13.852 5.205 -0.906 602 HB3 ALA 79 HB3 ALA 79 13.979 6.582 -1.999 603 H THR 80 H THR 80 13.204 9.132 -0.632 604 HA THR 80 HA THR 80 15.227 8.918 1.372 605 HB THR 80 HB THR 80 15.482 10.510 -0.452 606 HG1 THR 80 HG1 THR 80 15.898 11.037 2.090 607 HG21 THR 80 HG21 THR 80 14.133 12.558 -0.558 608 HG22 THR 80 HG22 THR 80 13.122 11.954 0.754 609 HG23 THR 80 HG23 THR 80 13.148 11.116 -0.798 610 H ASP 81 H ASP 81 11.837 9.780 1.417 611 HA ASP 81 HA ASP 81 11.959 11.067 3.994 612 HB2 ASP 81 HB2 ASP 81 10.227 11.669 2.338 613 HB3 ASP 81 HB3 ASP 81 9.585 10.032 2.416 614 H LEU 82 H LEU 82 10.736 8.011 2.700 615 HA LEU 82 HA LEU 82 9.931 6.788 5.019 616 HB2 LEU 82 HB2 LEU 82 11.123 5.691 2.483 617 HB3 LEU 82 HB3 LEU 82 10.429 4.665 3.728 618 HG LEU 82 HG LEU 82 8.474 4.904 2.704 619 HD11 LEU 82 HD11 LEU 82 8.626 7.834 3.270 620 HD12 LEU 82 HD12 LEU 82 8.133 6.614 4.437 621 HD13 LEU 82 HD13 LEU 82 7.172 6.881 2.986 622 HD21 LEU 82 HD21 LEU 82 9.662 7.108 1.075 623 HD22 LEU 82 HD22 LEU 82 8.141 6.278 0.746 624 HD23 LEU 82 HD23 LEU 82 9.665 5.394 0.663 625 H LYS 83 H LYS 83 13.122 6.525 3.475 626 HA LYS 83 HA LYS 83 14.213 4.894 5.507 627 HB2 LYS 83 HB2 LYS 83 15.096 5.064 3.202 628 HB3 LYS 83 HB3 LYS 83 15.648 6.693 3.578 629 HG2 LYS 83 HG2 LYS 83 17.146 5.839 5.262 630 HG3 LYS 83 HG3 LYS 83 16.549 4.197 4.989 631 HD2 LYS 83 HD2 LYS 83 17.412 4.218 2.733 632 HD3 LYS 83 HD3 LYS 83 17.905 5.905 2.902 633 HE2 LYS 83 HE2 LYS 83 19.423 5.216 4.746 634 HE3 LYS 83 HE3 LYS 83 19.005 3.537 4.408 635 HZ1 LYS 83 HZ1 LYS 83 20.265 5.404 2.474 636 HZ2 LYS 83 HZ2 LYS 83 19.919 3.774 2.200 637 HZ3 LYS 83 HZ3 LYS 83 21.082 4.210 3.347 638 H ARG 84 H ARG 84 14.105 8.380 5.043 639 HA ARG 84 HA ARG 84 15.873 9.255 6.967 640 HB2 ARG 84 HB2 ARG 84 13.863 10.338 5.376 641 HB3 ARG 84 HB3 ARG 84 13.425 10.760 7.017 642 HG2 ARG 84 HG2 ARG 84 15.169 12.169 7.276 643 HG3 ARG 84 HG3 ARG 84 16.247 11.171 6.295 644 HD2 ARG 84 HD2 ARG 84 15.071 11.900 4.292 645 HD3 ARG 84 HD3 ARG 84 14.045 12.949 5.270 646 HE ARG 84 HE ARG 84 16.706 13.614 5.797 647 HH11 ARG 84 HH11 ARG 84 14.417 13.732 3.153 648 HH12 ARG 84 HH12 ARG 84 15.185 15.077 2.373 649 HH21 ARG 84 HH21 ARG 84 17.708 15.412 4.788 650 HH22 ARG 84 HH22 ARG 84 17.056 16.039 3.309 651 H MET 85 H MET 85 12.545 8.212 7.231 652 HA MET 85 HA MET 85 12.429 8.542 10.092 653 HB2 MET 85 HB2 MET 85 10.571 7.114 8.191 654 HB3 MET 85 HB3 MET 85 10.247 7.388 9.893 655 HG2 MET 85 HG2 MET 85 10.267 9.779 9.518 656 HG3 MET 85 HG3 MET 85 10.636 9.520 7.817 657 HE1 MET 85 HE1 MET 85 8.039 8.867 10.672 658 HE2 MET 85 HE2 MET 85 8.188 7.268 9.943 659 HE3 MET 85 HE3 MET 85 6.684 8.173 9.787 660 H GLY 86 H GLY 86 12.887 5.877 7.819 661 HA2 GLY 86 HA2 GLY 86 13.832 3.779 8.263 662 HA3 GLY 86 HA3 GLY 86 13.864 4.183 9.973 663 H ILE 87 H ILE 87 10.901 4.836 8.599 664 HA ILE 87 HA ILE 87 9.659 2.305 8.735 665 HB ILE 87 HB ILE 87 9.997 3.237 11.212 666 HG12 ILE 87 HG12 ILE 87 7.241 2.263 10.503 667 HG13 ILE 87 HG13 ILE 87 8.627 1.207 10.313 668 HG21 ILE 87 HG21 ILE 87 8.003 4.492 11.925 669 HG22 ILE 87 HG22 ILE 87 7.510 4.596 10.231 670 HG23 ILE 87 HG23 ILE 87 8.993 5.390 10.769 671 HD11 ILE 87 HD11 ILE 87 9.131 1.509 12.705 672 HD12 ILE 87 HD12 ILE 87 7.558 0.774 12.406 673 HD13 ILE 87 HD13 ILE 87 7.663 2.477 12.855 674 H VAL 88 H VAL 88 7.450 2.469 8.144 675 HA VAL 88 HA VAL 88 6.650 5.057 7.000 676 HB VAL 88 HB VAL 88 5.643 3.704 5.108 677 HG11 VAL 88 HG11 VAL 88 7.547 4.912 4.553 678 HG12 VAL 88 HG12 VAL 88 7.955 3.266 4.068 679 HG13 VAL 88 HG13 VAL 88 8.591 3.932 5.582 680 HG21 VAL 88 HG21 VAL 88 7.483 1.584 6.233 681 HG22 VAL 88 HG22 VAL 88 6.612 1.494 4.691 682 HG23 VAL 88 HG23 VAL 88 5.713 1.523 6.209 683 H THR 89 H THR 89 4.482 5.566 7.268 684 HA THR 89 HA THR 89 2.912 3.528 8.677 685 HB THR 89 HB THR 89 2.127 6.425 8.621 686 HG1 THR 89 HG1 THR 89 3.194 6.156 10.897 687 HG21 THR 89 HG21 THR 89 1.587 4.097 10.492 688 HG22 THR 89 HG22 THR 89 0.446 4.793 9.329 689 HG23 THR 89 HG23 THR 89 0.985 5.746 10.717 690 H SER 90 H SER 90 1.246 2.705 7.815 691 HA SER 90 HA SER 90 0.565 3.156 5.105 692 HB2 SER 90 HB2 SER 90 -0.649 1.452 7.303 693 HB3 SER 90 HB3 SER 90 -1.056 1.323 5.578 694 HG SER 90 HG SER 90 1.437 0.830 6.847 695 H LEU 91 H LEU 91 -1.751 3.491 4.385 696 HA LEU 91 HA LEU 91 -2.929 5.825 5.324 697 HB2 LEU 91 HB2 LEU 91 -3.308 4.413 3.144 698 HB3 LEU 91 HB3 LEU 91 -4.582 3.646 4.077 699 HG LEU 91 HG LEU 91 -5.848 5.576 4.203 700 HD11 LEU 91 HD11 LEU 91 -4.380 7.178 5.014 701 HD12 LEU 91 HD12 LEU 91 -4.828 7.781 3.413 702 HD13 LEU 91 HD13 LEU 91 -3.275 6.971 3.656 703 HD21 LEU 91 HD21 LEU 91 -5.944 6.476 1.929 704 HD22 LEU 91 HD22 LEU 91 -5.842 4.713 1.953 705 HD23 LEU 91 HD23 LEU 91 -4.416 5.677 1.563 706 H GLU 92 H GLU 92 -3.377 2.485 6.121 707 HA GLU 92 HA GLU 92 -5.648 2.795 7.840 708 HB2 GLU 92 HB2 GLU 92 -5.049 0.408 8.474 709 HB3 GLU 92 HB3 GLU 92 -5.435 0.693 6.775 710 HG2 GLU 92 HG2 GLU 92 -2.587 0.768 7.647 711 HG3 GLU 92 HG3 GLU 92 -3.384 -0.790 7.493 712 H GLY 93 H GLY 93 -2.379 3.364 8.132 713 HA2 GLY 93 HA2 GLY 93 -1.450 4.482 9.994 714 HA3 GLY 93 HA3 GLY 93 -2.644 3.715 11.022 715 H SER 94 H SER 94 -1.393 1.415 8.944 716 HA SER 94 HA SER 94 0.062 0.196 11.027 717 HB2 SER 94 HB2 SER 94 -0.306 -0.536 8.129 718 HB3 SER 94 HB3 SER 94 0.403 -1.573 9.351 719 HG SER 94 HG SER 94 -1.638 -1.288 10.519 720 H THR 95 H THR 95 2.103 0.680 11.550 721 HA THR 95 HA THR 95 3.876 1.920 9.653 722 HB THR 95 HB THR 95 5.361 1.240 11.907 723 HG1 THR 95 HG1 THR 95 3.577 2.345 13.387 724 HG21 THR 95 HG21 THR 95 5.395 3.363 10.662 725 HG22 THR 95 HG22 THR 95 5.228 3.620 12.400 726 HG23 THR 95 HG23 THR 95 3.821 3.777 11.346 727 H ILE 96 H ILE 96 5.495 1.069 8.586 728 HA ILE 96 HA ILE 96 6.255 -1.749 9.010 729 HB ILE 96 HB ILE 96 5.750 -0.283 6.420 730 HG12 ILE 96 HG12 ILE 96 4.635 -2.304 5.727 731 HG13 ILE 96 HG13 ILE 96 5.195 -3.152 7.156 732 HG21 ILE 96 HG21 ILE 96 7.073 -1.767 5.168 733 HG22 ILE 96 HG22 ILE 96 7.337 -2.806 6.565 734 HG23 ILE 96 HG23 ILE 96 8.104 -1.216 6.494 735 HD11 ILE 96 HD11 ILE 96 3.209 -0.886 7.082 736 HD12 ILE 96 HD12 ILE 96 3.757 -1.720 8.536 737 HD13 ILE 96 HD13 ILE 96 2.838 -2.595 7.313 738 HA PRO 97 HA PRO 97 10.085 0.418 9.709 739 HB2 PRO 97 HB2 PRO 97 11.543 -2.070 9.758 740 HB3 PRO 97 HB3 PRO 97 11.079 -1.042 11.112 741 HG2 PRO 97 HG2 PRO 97 10.047 -3.550 10.595 742 HG3 PRO 97 HG3 PRO 97 9.272 -2.318 11.605 743 HD2 PRO 97 HD2 PRO 97 8.666 -3.156 8.820 744 HD3 PRO 97 HD3 PRO 97 7.584 -2.537 10.083 745 H ILE 98 H ILE 98 11.370 1.342 8.406 746 HA ILE 98 HA ILE 98 11.975 0.169 5.823 747 HB ILE 98 HB ILE 98 12.317 2.948 6.929 748 HG12 ILE 98 HG12 ILE 98 10.021 2.328 6.408 749 HG13 ILE 98 HG13 ILE 98 10.613 3.507 5.242 750 HG21 ILE 98 HG21 ILE 98 13.074 1.880 4.220 751 HG22 ILE 98 HG22 ILE 98 14.148 2.580 5.433 752 HG23 ILE 98 HG23 ILE 98 12.955 3.591 4.619 753 HD11 ILE 98 HD11 ILE 98 10.533 0.545 4.759 754 HD12 ILE 98 HD12 ILE 98 10.904 1.809 3.585 755 HD13 ILE 98 HD13 ILE 98 9.273 1.676 4.265 756 H HIS 99 H HIS 99 13.836 -0.510 5.238 757 HA HIS 99 HA HIS 99 16.228 0.180 6.792 758 HB2 HIS 99 HB2 HIS 99 15.632 -2.455 5.468 759 HB3 HIS 99 HB3 HIS 99 17.184 -2.023 6.146 760 HD1 HIS 99 HD1 HIS 99 17.510 -2.393 8.607 761 HD2 HIS 99 HD2 HIS 99 13.537 -2.767 7.441 762 HE1 HIS 99 HE1 HIS 99 16.293 -3.281 10.620 763 HE2 HIS 99 HE2 HIS 99 13.923 -3.631 9.850 764 H GLY 100 H GLY 100 18.187 -0.574 5.127 765 HA2 GLY 100 HA2 GLY 100 18.023 -0.231 2.455 766 HA3 GLY 100 HA3 GLY 100 17.854 1.404 3.051 767 H ASP 101 H ASP 101 19.961 -1.222 2.500 768 HA ASP 101 HA ASP 101 22.234 0.173 3.672 769 HB2 ASP 101 HB2 ASP 101 22.041 -2.299 3.887 770 HB3 ASP 101 HB3 ASP 101 22.189 -2.431 2.138 771 H ASN 102 H ASN 102 21.335 -1.134 0.486 772 HA ASN 102 HA ASN 102 22.774 1.140 -0.700 773 HB2 ASN 102 HB2 ASN 102 23.927 -0.857 -1.343 774 HB3 ASN 102 HB3 ASN 102 22.427 -1.655 -1.790 775 HD21 ASN 102 HD21 ASN 102 24.819 0.684 -2.703 776 HD22 ASN 102 HD22 ASN 102 24.326 0.840 -4.354 777 HA PRO 103 HA PRO 103 18.494 1.085 -2.748 778 HB2 PRO 103 HB2 PRO 103 16.937 -1.034 -2.839 779 HB3 PRO 103 HB3 PRO 103 18.397 -1.008 -3.837 780 HG2 PRO 103 HG2 PRO 103 17.947 -2.338 -1.195 781 HG3 PRO 103 HG3 PRO 103 18.692 -3.000 -2.661 782 HD2 PRO 103 HD2 PRO 103 20.093 -1.933 -0.564 783 HD3 PRO 103 HD3 PRO 103 20.708 -2.043 -2.216 784 H LEU 104 H LEU 104 16.151 1.241 -1.964 785 HA LEU 104 HA LEU 104 15.986 1.473 0.884 786 HB2 LEU 104 HB2 LEU 104 14.669 2.887 -0.748 787 HB3 LEU 104 HB3 LEU 104 13.707 1.466 -1.074 788 HG LEU 104 HG LEU 104 13.273 1.450 1.476 789 HD11 LEU 104 HD11 LEU 104 14.923 3.135 2.073 790 HD12 LEU 104 HD12 LEU 104 13.292 3.674 2.491 791 HD13 LEU 104 HD13 LEU 104 14.096 4.318 1.058 792 HD21 LEU 104 HD21 LEU 104 11.501 1.788 -0.020 793 HD22 LEU 104 HD22 LEU 104 12.104 3.383 -0.492 794 HD23 LEU 104 HD23 LEU 104 11.427 3.133 1.121 795 H GLU 105 H GLU 105 14.541 0.221 2.232 796 HA GLU 105 HA GLU 105 13.927 -2.443 1.185 797 HB2 GLU 105 HB2 GLU 105 15.510 -1.936 3.712 798 HB3 GLU 105 HB3 GLU 105 14.947 -3.509 3.164 799 HG2 GLU 105 HG2 GLU 105 16.347 -3.217 1.130 800 HG3 GLU 105 HG3 GLU 105 16.980 -1.737 1.828 801 H VAL 106 H VAL 106 11.853 -2.652 1.514 802 HA VAL 106 HA VAL 106 10.640 -1.334 3.837 803 HB VAL 106 HB VAL 106 9.508 -0.426 2.067 804 HG11 VAL 106 HG11 VAL 106 10.756 -1.459 0.323 805 HG12 VAL 106 HG12 VAL 106 9.035 -1.620 -0.051 806 HG13 VAL 106 HG13 VAL 106 9.929 -3.003 0.587 807 HG21 VAL 106 HG21 VAL 106 8.046 -2.975 2.657 808 HG22 VAL 106 HG22 VAL 106 7.426 -1.816 1.479 809 HG23 VAL 106 HG23 VAL 106 7.663 -1.324 3.167 810 H LYS 107 H LYS 107 10.412 -2.661 5.486 811 HA LYS 107 HA LYS 107 10.585 -4.564 6.683 812 HB2 LYS 107 HB2 LYS 107 8.637 -6.201 6.236 813 HB3 LYS 107 HB3 LYS 107 8.296 -4.591 6.844 814 HG2 LYS 107 HG2 LYS 107 7.459 -3.876 4.773 815 HG3 LYS 107 HG3 LYS 107 8.168 -5.233 3.911 816 HD2 LYS 107 HD2 LYS 107 5.594 -5.167 4.528 817 HD3 LYS 107 HD3 LYS 107 6.503 -6.678 4.540 818 HE2 LYS 107 HE2 LYS 107 6.864 -6.312 7.001 819 HE3 LYS 107 HE3 LYS 107 5.749 -4.954 6.894 820 HZ1 LYS 107 HZ1 LYS 107 4.022 -6.454 6.163 821 HZ2 LYS 107 HZ2 LYS 107 4.657 -6.987 7.636 822 HZ3 LYS 107 HZ3 LYS 107 5.092 -7.764 6.197 823 H ASN 108 H ASN 108 9.182 -6.671 4.374 824 HA ASN 108 HA ASN 108 11.594 -8.288 4.504 825 HB2 ASN 108 HB2 ASN 108 10.172 -10.079 3.602 826 HB3 ASN 108 HB3 ASN 108 9.430 -9.339 5.014 827 HD21 ASN 108 HD21 ASN 108 8.198 -10.858 2.859 828 HD22 ASN 108 HD22 ASN 108 7.013 -9.820 2.139 829 H ALA 109 H ALA 109 10.409 -5.952 2.510 830 HA ALA 109 HA ALA 109 11.289 -7.337 0.079 831 HB1 ALA 109 HB1 ALA 109 8.968 -6.699 0.029 832 HB2 ALA 109 HB2 ALA 109 9.879 -5.732 -1.141 833 HB3 ALA 109 HB3 ALA 109 9.396 -5.016 0.399 834 H THR 110 H THR 110 12.095 -5.856 -1.658 835 HA THR 110 HA THR 110 13.999 -3.945 -0.574 836 HB THR 110 HB THR 110 14.693 -5.876 -2.784 837 HG1 THR 110 HG1 THR 110 14.623 -7.337 -1.221 838 HG21 THR 110 HG21 THR 110 16.089 -3.883 -2.583 839 HG22 THR 110 HG22 THR 110 16.999 -5.322 -2.121 840 HG23 THR 110 HG23 THR 110 16.375 -4.237 -0.879 841 H VAL 111 H VAL 111 14.176 -2.139 -1.797 842 HA VAL 111 HA VAL 111 12.251 -1.877 -3.942 843 HB VAL 111 HB VAL 111 13.917 0.066 -2.388 844 HG11 VAL 111 HG11 VAL 111 14.003 0.806 -4.726 845 HG12 VAL 111 HG12 VAL 111 13.029 1.890 -3.733 846 HG13 VAL 111 HG13 VAL 111 12.243 0.732 -4.807 847 HG21 VAL 111 HG21 VAL 111 11.708 1.006 -1.864 848 HG22 VAL 111 HG22 VAL 111 11.852 -0.684 -1.385 849 HG23 VAL 111 HG23 VAL 111 10.959 -0.253 -2.844 850 H LEU 112 H LEU 112 12.656 -1.838 -6.021 851 HA LEU 112 HA LEU 112 15.370 -2.064 -7.014 852 HB2 LEU 112 HB2 LEU 112 12.672 -2.196 -8.360 853 HB3 LEU 112 HB3 LEU 112 14.184 -2.282 -9.231 854 HG LEU 112 HG LEU 112 14.713 -4.333 -7.809 855 HD11 LEU 112 HD11 LEU 112 12.231 -5.311 -7.286 856 HD12 LEU 112 HD12 LEU 112 12.054 -3.606 -6.853 857 HD13 LEU 112 HD13 LEU 112 13.312 -4.583 -6.086 858 HD21 LEU 112 HD21 LEU 112 14.097 -4.480 -10.157 859 HD22 LEU 112 HD22 LEU 112 12.388 -4.409 -9.730 860 HD23 LEU 112 HD23 LEU 112 13.361 -5.795 -9.242 861 H ALA 113 H ALA 113 12.537 -0.002 -7.312 862 HA ALA 113 HA ALA 113 14.205 2.274 -8.003 863 HB1 ALA 113 HB1 ALA 113 11.933 1.317 -9.744 864 HB2 ALA 113 HB2 ALA 113 13.644 1.337 -10.175 865 HB3 ALA 113 HB3 ALA 113 12.779 2.855 -9.931 866 H ALA 114 H ALA 114 13.587 3.814 -6.632 867 HA ALA 114 HA ALA 114 10.732 4.203 -6.167 868 HB1 ALA 114 HB1 ALA 114 11.368 4.767 -3.767 869 HB2 ALA 114 HB2 ALA 114 12.898 3.952 -4.110 870 HB3 ALA 114 HB3 ALA 114 11.376 3.060 -4.214 871 H ASP 115 H ASP 115 10.804 6.351 -4.558 872 HA ASP 115 HA ASP 115 10.836 8.608 -4.655 873 HB2 ASP 115 HB2 ASP 115 13.407 8.194 -6.205 874 HB3 ASP 115 HB3 ASP 115 12.834 9.736 -5.578 875 H ILE 116 H ILE 116 9.617 6.866 -6.596 876 HA ILE 116 HA ILE 116 9.749 8.171 -9.154 877 HB ILE 116 HB ILE 116 7.811 6.047 -8.264 878 HG12 ILE 116 HG12 ILE 116 10.598 5.697 -9.356 879 HG13 ILE 116 HG13 ILE 116 10.012 5.186 -7.789 880 HG21 ILE 116 HG21 ILE 116 7.295 7.215 -10.344 881 HG22 ILE 116 HG22 ILE 116 7.691 5.517 -10.629 882 HG23 ILE 116 HG23 ILE 116 8.882 6.771 -10.978 883 HD11 ILE 116 HD11 ILE 116 9.109 4.089 -10.441 884 HD12 ILE 116 HD12 ILE 116 8.538 3.571 -8.854 885 HD13 ILE 116 HD13 ILE 116 10.220 3.310 -9.314 886 H GLU 117 H GLU 117 8.620 9.981 -9.401 887 HA GLU 117 HA GLU 117 6.461 10.741 -7.748 888 HB2 GLU 117 HB2 GLU 117 7.115 11.804 -10.496 889 HB3 GLU 117 HB3 GLU 117 6.122 12.584 -9.270 890 HG2 GLU 117 HG2 GLU 117 8.119 12.661 -7.793 891 HG3 GLU 117 HG3 GLU 117 9.076 12.037 -9.132 892 H ALA 118 H ALA 118 4.660 9.661 -7.650 893 HA ALA 118 HA ALA 118 3.596 8.220 -9.923 894 HB1 ALA 118 HB1 ALA 118 3.482 7.789 -7.238 895 HB2 ALA 118 HB2 ALA 118 2.439 7.019 -8.438 896 HB3 ALA 118 HB3 ALA 118 1.879 8.451 -7.570 897 H GLU 119 H GLU 119 1.047 8.343 -10.001 898 HA GLU 119 HA GLU 119 0.211 10.583 -11.305 899 HB2 GLU 119 HB2 GLU 119 -2.143 9.858 -10.432 900 HB3 GLU 119 HB3 GLU 119 -1.238 8.787 -11.491 901 HG2 GLU 119 HG2 GLU 119 -0.706 7.322 -9.764 902 HG3 GLU 119 HG3 GLU 119 -1.042 8.514 -8.514 903 H ASN 120 H ASN 120 -0.342 9.928 -7.841 904 HA ASN 120 HA ASN 120 -0.806 12.807 -7.491 905 HB2 ASN 120 HB2 ASN 120 -2.131 10.472 -6.134 906 HB3 ASN 120 HB3 ASN 120 -2.188 12.097 -5.466 907 HD21 ASN 120 HD21 ASN 120 -3.308 9.973 -7.966 908 HD22 ASN 120 HD22 ASN 120 -4.502 11.047 -8.613 909 H GLY 121 H GLY 121 1.290 10.290 -6.784 910 HA2 GLY 121 HA2 GLY 121 2.518 11.838 -4.653 911 HA3 GLY 121 HA3 GLY 121 1.945 10.257 -4.181 912 H ILE 122 H ILE 122 3.235 8.640 -4.413 913 HA ILE 122 HA ILE 122 5.602 8.811 -6.097 914 HB ILE 122 HB ILE 122 5.610 8.503 -3.111 915 HG12 ILE 122 HG12 ILE 122 5.611 10.807 -3.945 916 HG13 ILE 122 HG13 ILE 122 7.146 10.413 -3.169 917 HG21 ILE 122 HG21 ILE 122 7.951 8.010 -3.192 918 HG22 ILE 122 HG22 ILE 122 7.970 8.186 -4.945 919 HG23 ILE 122 HG23 ILE 122 7.091 6.846 -4.200 920 HD11 ILE 122 HD11 ILE 122 7.633 9.732 -5.759 921 HD12 ILE 122 HD12 ILE 122 8.059 11.276 -5.009 922 HD13 ILE 122 HD13 ILE 122 6.565 11.131 -5.933 923 H ILE 123 H ILE 123 6.517 6.865 -6.595 924 HA ILE 123 HA ILE 123 5.095 4.437 -5.679 925 HB ILE 123 HB ILE 123 6.318 4.982 -8.396 926 HG12 ILE 123 HG12 ILE 123 3.483 4.338 -7.627 927 HG13 ILE 123 HG13 ILE 123 4.082 5.977 -7.851 928 HG21 ILE 123 HG21 ILE 123 6.745 2.670 -7.766 929 HG22 ILE 123 HG22 ILE 123 5.513 2.745 -9.026 930 HG23 ILE 123 HG23 ILE 123 5.045 2.450 -7.350 931 HD11 ILE 123 HD11 ILE 123 4.672 5.369 -10.184 932 HD12 ILE 123 HD12 ILE 123 2.947 5.316 -9.825 933 HD13 ILE 123 HD13 ILE 123 3.874 3.817 -9.926 934 H HIS 124 H HIS 124 6.309 2.633 -5.199 935 HA HIS 124 HA HIS 124 9.216 2.789 -5.602 936 HB2 HIS 124 HB2 HIS 124 8.357 1.445 -3.099 937 HB3 HIS 124 HB3 HIS 124 9.834 2.306 -3.448 938 HD1 HIS 124 HD1 HIS 124 6.788 2.565 -1.586 939 HD2 HIS 124 HD2 HIS 124 9.398 5.254 -3.375 940 HE1 HIS 124 HE1 HIS 124 6.358 4.765 -0.463 941 HE2 HIS 124 HE2 HIS 124 7.826 6.415 -1.670 942 H VAL 125 H VAL 125 9.766 1.101 -6.761 943 HA VAL 125 HA VAL 125 8.075 -1.235 -6.940 944 HB VAL 125 HB VAL 125 10.722 -0.578 -8.263 945 HG11 VAL 125 HG11 VAL 125 10.109 -2.397 -9.847 946 HG12 VAL 125 HG12 VAL 125 8.794 -2.844 -8.757 947 HG13 VAL 125 HG13 VAL 125 10.470 -2.959 -8.217 948 HG21 VAL 125 HG21 VAL 125 9.374 -0.123 -10.247 949 HG22 VAL 125 HG22 VAL 125 8.931 0.935 -8.907 950 HG23 VAL 125 HG23 VAL 125 7.904 -0.437 -9.325 951 H ILE 126 H ILE 126 8.380 -3.110 -5.852 952 HA ILE 126 HA ILE 126 10.936 -3.438 -4.427 953 HB ILE 126 HB ILE 126 9.864 -4.489 -2.577 954 HG12 ILE 126 HG12 ILE 126 7.819 -5.101 -4.278 955 HG13 ILE 126 HG13 ILE 126 7.760 -5.288 -2.530 956 HG21 ILE 126 HG21 ILE 126 10.090 -2.104 -2.436 957 HG22 ILE 126 HG22 ILE 126 8.588 -2.599 -1.653 958 HG23 ILE 126 HG23 ILE 126 8.548 -1.871 -3.266 959 HD11 ILE 126 HD11 ILE 126 6.673 -3.154 -2.294 960 HD12 ILE 126 HD12 ILE 126 5.776 -4.163 -3.435 961 HD13 ILE 126 HD13 ILE 126 6.810 -2.860 -4.032 962 H ASP 127 H ASP 127 11.329 -5.654 -3.795 963 HA ASP 127 HA ASP 127 10.902 -7.293 -6.176 964 HB2 ASP 127 HB2 ASP 127 13.181 -6.463 -5.821 965 HB3 ASP 127 HB3 ASP 127 13.216 -7.194 -4.231 966 H THR 128 H THR 128 9.373 -7.119 -3.564 967 HA THR 128 HA THR 128 9.135 -9.939 -3.107 968 HB THR 128 HB THR 128 10.164 -8.114 -0.960 969 HG1 THR 128 HG1 THR 128 11.355 -9.822 -2.673 970 HG21 THR 128 HG21 THR 128 9.182 -10.951 -0.750 971 HG22 THR 128 HG22 THR 128 8.523 -9.509 0.053 972 HG23 THR 128 HG23 THR 128 10.117 -10.119 0.498 973 H VAL 129 H VAL 129 7.064 -10.389 -2.704 974 HA VAL 129 HA VAL 129 5.183 -8.312 -2.036 975 HB VAL 129 HB VAL 129 4.877 -11.273 -2.609 976 HG11 VAL 129 HG11 VAL 129 2.679 -11.268 -2.117 977 HG12 VAL 129 HG12 VAL 129 2.506 -9.520 -2.350 978 HG13 VAL 129 HG13 VAL 129 3.265 -10.143 -0.885 979 HG21 VAL 129 HG21 VAL 129 3.638 -10.465 -4.573 980 HG22 VAL 129 HG22 VAL 129 5.297 -9.865 -4.553 981 HG23 VAL 129 HG23 VAL 129 3.968 -8.801 -4.089 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -17.667 14.091 -8.170 2 H2 MET 1 H2 MET 1 -18.063 12.470 -7.931 3 H3 MET 1 H3 MET 1 -16.518 13.025 -7.536 4 HA MET 1 HA MET 1 -17.426 14.440 -5.818 5 HB2 MET 1 HB2 MET 1 -19.629 14.799 -6.831 6 HB3 MET 1 HB3 MET 1 -20.037 13.110 -6.572 7 HG2 MET 1 HG2 MET 1 -21.077 14.548 -4.910 8 HG3 MET 1 HG3 MET 1 -19.932 13.432 -4.168 9 HE1 MET 1 HE1 MET 1 -20.008 14.952 -1.945 10 HE2 MET 1 HE2 MET 1 -21.144 16.026 -2.759 11 HE3 MET 1 HE3 MET 1 -19.719 16.691 -1.962 12 H ALA 2 H ALA 2 -18.515 11.137 -6.557 13 HA ALA 2 HA ALA 2 -17.994 10.294 -3.836 14 HB1 ALA 2 HB1 ALA 2 -18.825 8.635 -6.216 15 HB2 ALA 2 HB2 ALA 2 -19.937 9.405 -5.081 16 HB3 ALA 2 HB3 ALA 2 -18.842 8.138 -4.523 17 H THR 3 H THR 3 -15.944 10.019 -3.291 18 HA THR 3 HA THR 3 -13.795 9.432 -4.977 19 HB THR 3 HB THR 3 -14.086 8.756 -2.039 20 HG1 THR 3 HG1 THR 3 -13.548 11.150 -3.423 21 HG21 THR 3 HG21 THR 3 -11.586 9.330 -3.633 22 HG22 THR 3 HG22 THR 3 -12.131 7.720 -3.164 23 HG23 THR 3 HG23 THR 3 -11.681 8.890 -1.926 24 H ILE 4 H ILE 4 -12.678 7.443 -5.370 25 HA ILE 4 HA ILE 4 -14.101 5.274 -6.176 26 HB ILE 4 HB ILE 4 -11.336 5.046 -4.974 27 HG12 ILE 4 HG12 ILE 4 -10.911 5.196 -7.650 28 HG13 ILE 4 HG13 ILE 4 -12.291 6.278 -7.491 29 HG21 ILE 4 HG21 ILE 4 -12.740 3.389 -7.065 30 HG22 ILE 4 HG22 ILE 4 -12.393 2.902 -5.406 31 HG23 ILE 4 HG23 ILE 4 -11.069 3.180 -6.538 32 HD11 ILE 4 HD11 ILE 4 -11.057 7.596 -5.840 33 HD12 ILE 4 HD12 ILE 4 -10.198 7.497 -7.374 34 HD13 ILE 4 HD13 ILE 4 -9.681 6.509 -6.009 35 H VAL 5 H VAL 5 -12.619 5.693 -3.019 36 HA VAL 5 HA VAL 5 -13.456 3.201 -1.951 37 HB VAL 5 HB VAL 5 -11.530 4.166 -0.979 38 HG11 VAL 5 HG11 VAL 5 -11.789 6.458 -1.593 39 HG12 VAL 5 HG12 VAL 5 -11.566 6.371 0.156 40 HG13 VAL 5 HG13 VAL 5 -13.179 6.627 -0.517 41 HG21 VAL 5 HG21 VAL 5 -12.865 3.027 0.621 42 HG22 VAL 5 HG22 VAL 5 -13.858 4.465 0.860 43 HG23 VAL 5 HG23 VAL 5 -12.175 4.460 1.390 44 H ASP 6 H ASP 6 -14.729 6.461 -1.873 45 HA ASP 6 HA ASP 6 -16.638 6.265 0.122 46 HB2 ASP 6 HB2 ASP 6 -16.037 8.339 -1.151 47 HB3 ASP 6 HB3 ASP 6 -16.970 7.730 -2.502 48 H ILE 7 H ILE 7 -16.849 5.594 -3.292 49 HA ILE 7 HA ILE 7 -19.448 4.695 -3.480 50 HB ILE 7 HB ILE 7 -17.102 3.664 -5.063 51 HG12 ILE 7 HG12 ILE 7 -18.882 5.958 -5.836 52 HG13 ILE 7 HG13 ILE 7 -17.498 6.225 -4.784 53 HG21 ILE 7 HG21 ILE 7 -18.781 3.359 -6.846 54 HG22 ILE 7 HG22 ILE 7 -20.047 3.855 -5.722 55 HG23 ILE 7 HG23 ILE 7 -19.140 2.374 -5.430 56 HD11 ILE 7 HD11 ILE 7 -17.333 4.984 -7.514 57 HD12 ILE 7 HD12 ILE 7 -15.990 5.438 -6.458 58 HD13 ILE 7 HD13 ILE 7 -17.032 6.685 -7.149 59 H ALA 8 H ALA 8 -16.743 3.066 -2.015 60 HA ALA 8 HA ALA 8 -17.670 0.419 -2.222 61 HB1 ALA 8 HB1 ALA 8 -16.073 1.658 0.018 62 HB2 ALA 8 HB2 ALA 8 -15.413 0.938 -1.450 63 HB3 ALA 8 HB3 ALA 8 -16.265 -0.071 -0.280 64 H VAL 9 H VAL 9 -18.482 3.033 -0.005 65 HA VAL 9 HA VAL 9 -20.417 1.391 1.410 66 HB VAL 9 HB VAL 9 -20.030 4.392 1.507 67 HG11 VAL 9 HG11 VAL 9 -21.236 4.260 3.632 68 HG12 VAL 9 HG12 VAL 9 -21.476 2.529 3.388 69 HG13 VAL 9 HG13 VAL 9 -22.226 3.687 2.290 70 HG21 VAL 9 HG21 VAL 9 -18.004 3.233 2.196 71 HG22 VAL 9 HG22 VAL 9 -18.936 2.256 3.331 72 HG23 VAL 9 HG23 VAL 9 -18.790 3.996 3.579 73 H ASN 10 H ASN 10 -20.301 3.751 -1.145 74 HA ASN 10 HA ASN 10 -23.037 4.378 -1.349 75 HB2 ASN 10 HB2 ASN 10 -20.912 5.490 -2.359 76 HB3 ASN 10 HB3 ASN 10 -21.219 4.379 -3.674 77 HD21 ASN 10 HD21 ASN 10 -21.203 7.190 -3.765 78 HD22 ASN 10 HD22 ASN 10 -22.764 7.679 -4.300 79 H THR 11 H THR 11 -21.197 1.677 -2.443 80 HA THR 11 HA THR 11 -22.674 0.910 -4.684 81 HB THR 11 HB THR 11 -21.779 -1.437 -4.059 82 HG1 THR 11 HG1 THR 11 -19.996 0.046 -2.455 83 HG21 THR 11 HG21 THR 11 -19.858 0.823 -4.594 84 HG22 THR 11 HG22 THR 11 -20.837 0.005 -5.810 85 HG23 THR 11 HG23 THR 11 -19.583 -0.882 -4.947 86 HA PRO 12 HA PRO 12 -26.234 -0.929 -2.708 87 HB2 PRO 12 HB2 PRO 12 -26.994 -2.043 -5.267 88 HB3 PRO 12 HB3 PRO 12 -27.719 -0.692 -4.402 89 HG2 PRO 12 HG2 PRO 12 -26.351 -0.398 -6.736 90 HG3 PRO 12 HG3 PRO 12 -26.456 0.867 -5.501 91 HD2 PRO 12 HD2 PRO 12 -24.257 -1.099 -6.016 92 HD3 PRO 12 HD3 PRO 12 -24.155 0.642 -5.687 93 H GLY 13 H GLY 13 -24.210 -2.374 -1.984 94 HA2 GLY 13 HA2 GLY 13 -23.795 -4.528 -1.260 95 HA3 GLY 13 HA3 GLY 13 -25.221 -5.052 -2.145 96 H PHE 14 H PHE 14 -22.274 -3.451 -3.253 97 HA PHE 14 HA PHE 14 -22.004 -5.067 -5.557 98 HB2 PHE 14 HB2 PHE 14 -20.743 -2.787 -4.539 99 HB3 PHE 14 HB3 PHE 14 -19.460 -3.981 -4.707 100 HD1 PHE 14 HD1 PHE 14 -22.205 -2.291 -6.545 101 HD2 PHE 14 HD2 PHE 14 -18.561 -4.472 -6.810 102 HE1 PHE 14 HE1 PHE 14 -22.110 -1.831 -8.958 103 HE2 PHE 14 HE2 PHE 14 -18.461 -4.015 -9.226 104 HZ PHE 14 HZ PHE 14 -20.237 -2.694 -10.302 105 H SER 15 H SER 15 -19.471 -5.843 -5.822 106 HA SER 15 HA SER 15 -19.237 -8.342 -4.640 107 HB2 SER 15 HB2 SER 15 -16.937 -6.665 -5.642 108 HB3 SER 15 HB3 SER 15 -17.100 -8.421 -5.693 109 HG SER 15 HG SER 15 -18.335 -8.275 -7.414 110 H THR 16 H THR 16 -17.577 -9.110 -3.169 111 HA THR 16 HA THR 16 -17.585 -7.781 -0.708 112 HB THR 16 HB THR 16 -15.544 -9.867 -1.472 113 HG1 THR 16 HG1 THR 16 -18.323 -10.164 -0.909 114 HG21 THR 16 HG21 THR 16 -15.818 -10.570 0.852 115 HG22 THR 16 HG22 THR 16 -17.038 -9.321 1.098 116 HG23 THR 16 HG23 THR 16 -15.366 -8.867 0.769 117 H LEU 17 H LEU 17 -15.550 -7.415 -3.428 118 HA LEU 17 HA LEU 17 -13.191 -6.452 -2.382 119 HB2 LEU 17 HB2 LEU 17 -14.726 -5.432 -4.771 120 HB3 LEU 17 HB3 LEU 17 -13.048 -5.060 -4.428 121 HG LEU 17 HG LEU 17 -14.128 -7.827 -4.969 122 HD11 LEU 17 HD11 LEU 17 -12.486 -6.009 -6.724 123 HD12 LEU 17 HD12 LEU 17 -14.194 -6.382 -6.948 124 HD13 LEU 17 HD13 LEU 17 -12.986 -7.657 -7.103 125 HD21 LEU 17 HD21 LEU 17 -11.304 -6.822 -4.627 126 HD22 LEU 17 HD22 LEU 17 -11.763 -8.455 -5.104 127 HD23 LEU 17 HD23 LEU 17 -12.186 -7.856 -3.502 128 H VAL 18 H VAL 18 -16.342 -4.831 -2.567 129 HA VAL 18 HA VAL 18 -15.211 -2.294 -1.705 130 HB VAL 18 HB VAL 18 -17.390 -1.394 -1.800 131 HG11 VAL 18 HG11 VAL 18 -16.471 -1.857 -3.973 132 HG12 VAL 18 HG12 VAL 18 -18.218 -2.101 -4.010 133 HG13 VAL 18 HG13 VAL 18 -17.133 -3.491 -3.935 134 HG21 VAL 18 HG21 VAL 18 -18.483 -4.207 -1.825 135 HG22 VAL 18 HG22 VAL 18 -19.441 -2.737 -2.014 136 HG23 VAL 18 HG23 VAL 18 -18.597 -3.052 -0.491 137 H THR 19 H THR 19 -16.644 -5.100 -0.333 138 HA THR 19 HA THR 19 -17.233 -3.890 2.188 139 HB THR 19 HB THR 19 -17.011 -6.839 1.892 140 HG1 THR 19 HG1 THR 19 -19.449 -5.957 1.111 141 HG21 THR 19 HG21 THR 19 -18.945 -4.938 3.226 142 HG22 THR 19 HG22 THR 19 -17.716 -5.929 4.016 143 HG23 THR 19 HG23 THR 19 -19.103 -6.698 3.242 144 H ALA 20 H ALA 20 -14.571 -5.607 0.782 145 HA ALA 20 HA ALA 20 -13.240 -6.393 3.125 146 HB1 ALA 20 HB1 ALA 20 -11.963 -5.685 0.521 147 HB2 ALA 20 HB2 ALA 20 -12.808 -7.201 0.821 148 HB3 ALA 20 HB3 ALA 20 -11.367 -6.796 1.755 149 H VAL 21 H VAL 21 -13.099 -3.333 1.334 150 HA VAL 21 HA VAL 21 -11.234 -2.206 3.230 151 HB VAL 21 HB VAL 21 -11.079 -1.092 1.191 152 HG11 VAL 21 HG11 VAL 21 -14.094 -0.874 1.117 153 HG12 VAL 21 HG12 VAL 21 -13.117 -1.977 0.148 154 HG13 VAL 21 HG13 VAL 21 -12.986 -0.234 -0.094 155 HG21 VAL 21 HG21 VAL 21 -11.137 0.512 2.980 156 HG22 VAL 21 HG22 VAL 21 -12.905 0.533 2.948 157 HG23 VAL 21 HG23 VAL 21 -11.989 1.188 1.585 158 H LYS 22 H LYS 22 -14.724 -2.299 2.818 159 HA LYS 22 HA LYS 22 -15.433 -0.374 4.722 160 HB2 LYS 22 HB2 LYS 22 -16.780 -2.559 3.301 161 HB3 LYS 22 HB3 LYS 22 -17.511 -2.168 4.840 162 HG2 LYS 22 HG2 LYS 22 -17.558 0.208 4.030 163 HG3 LYS 22 HG3 LYS 22 -17.129 -0.397 2.448 164 HD2 LYS 22 HD2 LYS 22 -19.534 -1.295 4.000 165 HD3 LYS 22 HD3 LYS 22 -19.545 -0.020 2.786 166 HE2 LYS 22 HE2 LYS 22 -18.876 -1.576 1.077 167 HE3 LYS 22 HE3 LYS 22 -18.697 -2.856 2.263 168 HZ1 LYS 22 HZ1 LYS 22 -20.789 -3.005 1.031 169 HZ2 LYS 22 HZ2 LYS 22 -21.250 -1.492 1.625 170 HZ3 LYS 22 HZ3 LYS 22 -21.049 -2.790 2.688 171 H VAL 23 H VAL 23 -14.884 -3.829 4.982 172 HA VAL 23 HA VAL 23 -15.588 -3.995 7.757 173 HB VAL 23 HB VAL 23 -15.778 -5.953 6.292 174 HG11 VAL 23 HG11 VAL 23 -12.763 -5.878 6.164 175 HG12 VAL 23 HG12 VAL 23 -13.868 -5.500 4.836 176 HG13 VAL 23 HG13 VAL 23 -13.808 -7.139 5.498 177 HG21 VAL 23 HG21 VAL 23 -14.744 -7.577 7.786 178 HG22 VAL 23 HG22 VAL 23 -15.460 -6.243 8.698 179 HG23 VAL 23 HG23 VAL 23 -13.714 -6.309 8.453 180 H ALA 24 H ALA 24 -12.669 -3.601 5.907 181 HA ALA 24 HA ALA 24 -10.844 -3.929 8.058 182 HB1 ALA 24 HB1 ALA 24 -10.372 -2.474 5.488 183 HB2 ALA 24 HB2 ALA 24 -10.306 -4.227 5.659 184 HB3 ALA 24 HB3 ALA 24 -9.174 -3.208 6.551 185 H ASN 25 H ASN 25 -13.015 -1.534 7.423 186 HA ASN 25 HA ASN 25 -13.447 0.489 8.217 187 HB2 ASN 25 HB2 ASN 25 -12.736 1.036 10.301 188 HB3 ASN 25 HB3 ASN 25 -12.308 -0.659 10.255 189 HD21 ASN 25 HD21 ASN 25 -10.909 2.579 9.814 190 HD22 ASN 25 HD22 ASN 25 -9.326 2.137 10.361 191 H LEU 26 H LEU 26 -11.186 -0.047 6.108 192 HA LEU 26 HA LEU 26 -9.862 2.524 6.223 193 HB2 LEU 26 HB2 LEU 26 -9.528 0.102 4.558 194 HB3 LEU 26 HB3 LEU 26 -9.008 1.641 3.888 195 HG LEU 26 HG LEU 26 -7.625 1.968 5.988 196 HD11 LEU 26 HD11 LEU 26 -8.435 -0.891 6.368 197 HD12 LEU 26 HD12 LEU 26 -8.602 0.457 7.498 198 HD13 LEU 26 HD13 LEU 26 -7.005 -0.188 7.116 199 HD21 LEU 26 HD21 LEU 26 -7.021 -0.290 4.093 200 HD22 LEU 26 HD22 LEU 26 -5.846 0.398 5.220 201 HD23 LEU 26 HD23 LEU 26 -6.536 1.404 3.946 202 H VAL 27 H VAL 27 -12.828 1.758 5.427 203 HA VAL 27 HA VAL 27 -13.265 2.893 2.909 204 HB VAL 27 HB VAL 27 -14.864 2.005 5.086 205 HG11 VAL 27 HG11 VAL 27 -16.750 3.547 4.987 206 HG12 VAL 27 HG12 VAL 27 -15.819 4.625 3.947 207 HG13 VAL 27 HG13 VAL 27 -15.303 4.345 5.613 208 HG21 VAL 27 HG21 VAL 27 -15.032 1.092 2.886 209 HG22 VAL 27 HG22 VAL 27 -15.452 2.671 2.209 210 HG23 VAL 27 HG23 VAL 27 -16.581 1.840 3.277 211 H GLU 28 H GLU 28 -12.954 4.310 6.085 212 HA GLU 28 HA GLU 28 -13.270 6.998 5.075 213 HB2 GLU 28 HB2 GLU 28 -12.573 7.569 7.469 214 HB3 GLU 28 HB3 GLU 28 -14.102 6.741 7.222 215 HG2 GLU 28 HG2 GLU 28 -13.136 4.643 7.862 216 HG3 GLU 28 HG3 GLU 28 -11.532 5.372 7.971 217 H ALA 29 H ALA 29 -10.681 4.786 5.527 218 HA ALA 29 HA ALA 29 -8.620 6.702 5.908 219 HB1 ALA 29 HB1 ALA 29 -8.337 3.822 5.074 220 HB2 ALA 29 HB2 ALA 29 -8.476 4.379 6.742 221 HB3 ALA 29 HB3 ALA 29 -7.086 4.854 5.769 222 H LEU 30 H LEU 30 -9.423 4.553 3.189 223 HA LEU 30 HA LEU 30 -7.592 5.496 1.332 224 HB2 LEU 30 HB2 LEU 30 -10.338 4.588 0.594 225 HB3 LEU 30 HB3 LEU 30 -8.867 4.440 -0.338 226 HG LEU 30 HG LEU 30 -9.588 2.918 2.149 227 HD11 LEU 30 HD11 LEU 30 -9.175 2.077 -0.703 228 HD12 LEU 30 HD12 LEU 30 -10.725 2.217 0.124 229 HD13 LEU 30 HD13 LEU 30 -9.555 1.004 0.645 230 HD21 LEU 30 HD21 LEU 30 -7.059 2.841 0.522 231 HD22 LEU 30 HD22 LEU 30 -7.510 1.667 1.760 232 HD23 LEU 30 HD23 LEU 30 -7.224 3.353 2.203 233 H GLN 31 H GLN 31 -10.154 7.208 2.609 234 HA GLN 31 HA GLN 31 -11.134 8.621 0.338 235 HB2 GLN 31 HB2 GLN 31 -11.252 9.390 3.248 236 HB3 GLN 31 HB3 GLN 31 -12.232 10.067 1.956 237 HG2 GLN 31 HG2 GLN 31 -12.278 7.142 2.425 238 HG3 GLN 31 HG3 GLN 31 -13.149 8.205 3.515 239 HE21 GLN 31 HE21 GLN 31 -13.888 6.182 1.446 240 HE22 GLN 31 HE22 GLN 31 -15.129 6.988 0.558 241 H SER 32 H SER 32 -8.166 8.696 1.502 242 HA SER 32 HA SER 32 -7.385 11.215 2.193 243 HB2 SER 32 HB2 SER 32 -5.206 10.550 0.980 244 HB3 SER 32 HB3 SER 32 -5.773 9.529 2.303 245 HG SER 32 HG SER 32 -6.485 9.012 -0.384 246 HA PRO 33 HA PRO 33 -8.218 13.471 -1.642 247 HB2 PRO 33 HB2 PRO 33 -7.934 15.876 -0.092 248 HB3 PRO 33 HB3 PRO 33 -9.410 15.180 -0.758 249 HG2 PRO 33 HG2 PRO 33 -8.863 15.347 1.928 250 HG3 PRO 33 HG3 PRO 33 -9.955 14.162 1.201 251 HD2 PRO 33 HD2 PRO 33 -7.122 13.822 2.079 252 HD3 PRO 33 HD3 PRO 33 -8.504 12.714 2.248 253 H GLY 34 H GLY 34 -5.634 13.418 0.533 254 HA2 GLY 34 HA2 GLY 34 -4.004 15.402 -0.784 255 HA3 GLY 34 HA3 GLY 34 -3.512 14.348 0.529 256 HA PRO 35 HA PRO 35 -1.259 12.657 -2.963 257 HB2 PRO 35 HB2 PRO 35 0.820 11.747 -1.418 258 HB3 PRO 35 HB3 PRO 35 0.705 13.367 -2.105 259 HG2 PRO 35 HG2 PRO 35 0.498 12.534 0.659 260 HG3 PRO 35 HG3 PRO 35 0.617 14.165 -0.003 261 HD2 PRO 35 HD2 PRO 35 -1.699 12.741 0.979 262 HD3 PRO 35 HD3 PRO 35 -1.543 14.441 0.513 263 H PHE 36 H PHE 36 -0.176 10.511 -3.359 264 HA PHE 36 HA PHE 36 -1.420 8.323 -1.889 265 HB2 PHE 36 HB2 PHE 36 -3.050 8.242 -3.458 266 HB3 PHE 36 HB3 PHE 36 -2.176 9.281 -4.567 267 HD1 PHE 36 HD1 PHE 36 -0.130 7.946 -5.793 268 HD2 PHE 36 HD2 PHE 36 -3.666 6.207 -4.187 269 HE1 PHE 36 HE1 PHE 36 0.109 6.042 -7.330 270 HE2 PHE 36 HE2 PHE 36 -3.417 4.292 -5.706 271 HZ PHE 36 HZ PHE 36 -1.529 4.208 -7.281 272 H THR 37 H THR 37 0.009 6.817 -1.521 273 HA THR 37 HA THR 37 2.413 6.735 -3.187 274 HB THR 37 HB THR 37 2.565 6.188 -0.242 275 HG1 THR 37 HG1 THR 37 2.579 8.354 0.202 276 HG21 THR 37 HG21 THR 37 4.808 6.974 -0.530 277 HG22 THR 37 HG22 THR 37 4.383 7.738 -2.068 278 HG23 THR 37 HG23 THR 37 4.452 5.986 -1.957 279 H VAL 38 H VAL 38 2.781 4.772 -4.011 280 HA VAL 38 HA VAL 38 1.388 2.510 -2.732 281 HB VAL 38 HB VAL 38 0.471 3.307 -4.971 282 HG11 VAL 38 HG11 VAL 38 2.970 2.019 -6.026 283 HG12 VAL 38 HG12 VAL 38 2.613 3.745 -6.034 284 HG13 VAL 38 HG13 VAL 38 1.618 2.636 -6.979 285 HG21 VAL 38 HG21 VAL 38 -0.075 1.121 -4.070 286 HG22 VAL 38 HG22 VAL 38 1.415 0.453 -4.736 287 HG23 VAL 38 HG23 VAL 38 0.143 1.023 -5.818 288 H PHE 39 H PHE 39 2.453 0.599 -2.507 289 HA PHE 39 HA PHE 39 5.291 0.508 -3.242 290 HB2 PHE 39 HB2 PHE 39 3.628 -1.638 -1.856 291 HB3 PHE 39 HB3 PHE 39 5.382 -1.555 -1.949 292 HD1 PHE 39 HD1 PHE 39 6.585 0.212 -0.706 293 HD2 PHE 39 HD2 PHE 39 2.437 -0.554 -0.148 294 HE1 PHE 39 HE1 PHE 39 6.660 1.369 1.475 295 HE2 PHE 39 HE2 PHE 39 2.504 0.600 2.023 296 HZ PHE 39 HZ PHE 39 4.619 1.563 2.840 297 H ALA 40 H ALA 40 5.645 -0.120 -5.293 298 HA ALA 40 HA ALA 40 3.574 -1.659 -6.691 299 HB1 ALA 40 HB1 ALA 40 6.042 -0.291 -7.748 300 HB2 ALA 40 HB2 ALA 40 4.400 0.350 -7.776 301 HB3 ALA 40 HB3 ALA 40 4.806 -1.077 -8.727 302 HA PRO 41 HA PRO 41 6.255 -5.237 -6.122 303 HB2 PRO 41 HB2 PRO 41 4.413 -7.102 -6.733 304 HB3 PRO 41 HB3 PRO 41 4.430 -6.280 -5.167 305 HG2 PRO 41 HG2 PRO 41 2.684 -5.804 -7.542 306 HG3 PRO 41 HG3 PRO 41 2.272 -5.760 -5.820 307 HD2 PRO 41 HD2 PRO 41 2.766 -3.533 -7.377 308 HD3 PRO 41 HD3 PRO 41 2.916 -3.581 -5.609 309 H ASN 42 H ASN 42 7.662 -5.935 -7.656 310 HA ASN 42 HA ASN 42 6.964 -5.573 -10.441 311 HB2 ASN 42 HB2 ASN 42 9.209 -5.767 -10.950 312 HB3 ASN 42 HB3 ASN 42 9.324 -5.249 -9.292 313 HD21 ASN 42 HD21 ASN 42 10.072 -6.567 -7.785 314 HD22 ASN 42 HD22 ASN 42 10.894 -8.050 -8.162 315 H ASP 43 H ASP 43 8.079 -7.572 -11.808 316 HA ASP 43 HA ASP 43 6.076 -9.505 -11.856 317 HB2 ASP 43 HB2 ASP 43 8.870 -9.530 -12.984 318 HB3 ASP 43 HB3 ASP 43 7.745 -10.859 -13.236 319 H ASP 44 H ASP 44 9.025 -9.433 -9.967 320 HA ASP 44 HA ASP 44 8.954 -12.297 -9.472 321 HB2 ASP 44 HB2 ASP 44 11.092 -10.924 -9.677 322 HB3 ASP 44 HB3 ASP 44 10.696 -10.279 -8.091 323 H ALA 45 H ALA 45 7.869 -9.371 -8.116 324 HA ALA 45 HA ALA 45 7.380 -10.418 -5.482 325 HB1 ALA 45 HB1 ALA 45 7.891 -8.061 -5.852 326 HB2 ALA 45 HB2 ALA 45 6.336 -8.291 -5.053 327 HB3 ALA 45 HB3 ALA 45 6.398 -7.892 -6.775 328 H PHE 46 H PHE 46 5.606 -9.807 -8.448 329 HA PHE 46 HA PHE 46 3.037 -10.595 -7.614 330 HB2 PHE 46 HB2 PHE 46 3.670 -9.540 -9.811 331 HB3 PHE 46 HB3 PHE 46 4.336 -11.085 -10.305 332 HD1 PHE 46 HD1 PHE 46 1.235 -9.289 -9.463 333 HD2 PHE 46 HD2 PHE 46 2.933 -12.853 -11.053 334 HE1 PHE 46 HE1 PHE 46 -0.978 -9.971 -10.288 335 HE2 PHE 46 HE2 PHE 46 0.722 -13.540 -11.884 336 HZ PHE 46 HZ PHE 46 -1.237 -12.098 -11.499 337 H ALA 47 H ALA 47 5.935 -12.238 -8.148 338 HA ALA 47 HA ALA 47 4.819 -14.895 -8.417 339 HB1 ALA 47 HB1 ALA 47 7.227 -15.561 -8.418 340 HB2 ALA 47 HB2 ALA 47 7.635 -13.847 -8.253 341 HB3 ALA 47 HB3 ALA 47 6.774 -14.419 -9.682 342 H LYS 48 H LYS 48 5.528 -12.779 -5.918 343 HA LYS 48 HA LYS 48 6.056 -14.831 -3.909 344 HB2 LYS 48 HB2 LYS 48 5.531 -11.914 -3.425 345 HB3 LYS 48 HB3 LYS 48 6.352 -13.069 -2.389 346 HG2 LYS 48 HG2 LYS 48 7.394 -12.211 -5.061 347 HG3 LYS 48 HG3 LYS 48 7.840 -11.451 -3.538 348 HD2 LYS 48 HD2 LYS 48 8.191 -14.375 -4.142 349 HD3 LYS 48 HD3 LYS 48 9.457 -13.163 -4.360 350 HE2 LYS 48 HE2 LYS 48 9.323 -12.611 -1.973 351 HE3 LYS 48 HE3 LYS 48 8.081 -13.841 -1.765 352 HZ1 LYS 48 HZ1 LYS 48 10.868 -14.355 -2.656 353 HZ2 LYS 48 HZ2 LYS 48 9.675 -15.526 -2.414 354 HZ3 LYS 48 HZ3 LYS 48 10.268 -14.642 -1.101 355 H LEU 49 H LEU 49 3.526 -12.887 -5.188 356 HA LEU 49 HA LEU 49 1.556 -12.879 -3.341 357 HB2 LEU 49 HB2 LEU 49 1.436 -13.319 -6.297 358 HB3 LEU 49 HB3 LEU 49 -0.010 -13.137 -5.326 359 HG LEU 49 HG LEU 49 2.196 -11.113 -5.673 360 HD11 LEU 49 HD11 LEU 49 0.676 -11.269 -7.563 361 HD12 LEU 49 HD12 LEU 49 0.473 -9.749 -6.687 362 HD13 LEU 49 HD13 LEU 49 -0.697 -11.053 -6.477 363 HD21 LEU 49 HD21 LEU 49 0.703 -9.651 -4.308 364 HD22 LEU 49 HD22 LEU 49 1.474 -10.968 -3.425 365 HD23 LEU 49 HD23 LEU 49 -0.223 -11.095 -3.891 366 HA PRO 50 HA PRO 50 0.052 -17.346 -4.527 367 HB2 PRO 50 HB2 PRO 50 2.069 -19.044 -5.334 368 HB3 PRO 50 HB3 PRO 50 0.926 -18.247 -6.419 369 HG2 PRO 50 HG2 PRO 50 3.735 -17.518 -5.751 370 HG3 PRO 50 HG3 PRO 50 2.879 -17.399 -7.298 371 HD2 PRO 50 HD2 PRO 50 3.351 -15.257 -5.709 372 HD3 PRO 50 HD3 PRO 50 1.908 -15.379 -6.743 373 H ASP 51 H ASP 51 3.141 -16.586 -3.098 374 HA ASP 51 HA ASP 51 3.214 -18.835 -1.331 375 HB2 ASP 51 HB2 ASP 51 5.282 -17.669 -1.808 376 HB3 ASP 51 HB3 ASP 51 4.617 -16.160 -1.191 377 H GLY 52 H GLY 52 1.959 -15.575 -1.199 378 HA2 GLY 52 HA2 GLY 52 -0.059 -15.084 -0.071 379 HA3 GLY 52 HA3 GLY 52 0.245 -16.433 1.009 380 H THR 53 H THR 53 2.054 -13.475 0.105 381 HA THR 53 HA THR 53 2.972 -13.013 2.754 382 HB THR 53 HB THR 53 2.661 -11.071 0.461 383 HG1 THR 53 HG1 THR 53 5.050 -11.442 0.430 384 HG21 THR 53 HG21 THR 53 4.126 -10.841 3.088 385 HG22 THR 53 HG22 THR 53 2.808 -9.826 2.493 386 HG23 THR 53 HG23 THR 53 4.393 -9.759 1.720 387 H ILE 54 H ILE 54 0.564 -11.336 0.764 388 HA ILE 54 HA ILE 54 -0.371 -9.646 2.713 389 HB ILE 54 HB ILE 54 -0.994 -10.288 0.019 390 HG12 ILE 54 HG12 ILE 54 -1.748 -7.897 0.102 391 HG13 ILE 54 HG13 ILE 54 -1.545 -7.984 1.842 392 HG21 ILE 54 HG21 ILE 54 -3.385 -9.655 0.007 393 HG22 ILE 54 HG22 ILE 54 -3.403 -9.800 1.765 394 HG23 ILE 54 HG23 ILE 54 -3.094 -11.221 0.767 395 HD11 ILE 54 HD11 ILE 54 0.862 -8.601 1.389 396 HD12 ILE 54 HD12 ILE 54 0.354 -6.933 1.124 397 HD13 ILE 54 HD13 ILE 54 0.559 -8.024 -0.255 398 H THR 55 H THR 55 -1.113 -12.930 2.080 399 HA THR 55 HA THR 55 -3.476 -13.271 3.469 400 HB THR 55 HB THR 55 -1.142 -15.150 3.468 401 HG1 THR 55 HG1 THR 55 -2.401 -16.110 1.699 402 HG21 THR 55 HG21 THR 55 -2.908 -15.572 5.180 403 HG22 THR 55 HG22 THR 55 -2.727 -16.874 3.998 404 HG23 THR 55 HG23 THR 55 -4.069 -15.735 3.861 405 H SER 56 H SER 56 -0.209 -12.948 4.770 406 HA SER 56 HA SER 56 -1.108 -13.400 7.458 407 HB2 SER 56 HB2 SER 56 1.161 -14.083 6.821 408 HB3 SER 56 HB3 SER 56 1.552 -12.418 6.395 409 HG SER 56 HG SER 56 2.315 -12.661 8.428 410 H LEU 57 H LEU 57 -0.605 -10.832 5.301 411 HA LEU 57 HA LEU 57 -0.588 -8.705 7.180 412 HB2 LEU 57 HB2 LEU 57 -0.765 -8.945 4.278 413 HB3 LEU 57 HB3 LEU 57 -1.312 -7.447 4.972 414 HG LEU 57 HG LEU 57 0.895 -7.099 5.973 415 HD11 LEU 57 HD11 LEU 57 2.773 -8.558 5.399 416 HD12 LEU 57 HD12 LEU 57 1.663 -9.662 4.587 417 HD13 LEU 57 HD13 LEU 57 1.542 -9.412 6.328 418 HD21 LEU 57 HD21 LEU 57 0.263 -6.599 3.438 419 HD22 LEU 57 HD22 LEU 57 1.561 -7.762 3.152 420 HD23 LEU 57 HD23 LEU 57 1.880 -6.293 4.074 421 H VAL 58 H VAL 58 -3.089 -10.547 5.561 422 HA VAL 58 HA VAL 58 -5.163 -8.666 6.246 423 HB VAL 58 HB VAL 58 -5.345 -10.306 4.340 424 HG11 VAL 58 HG11 VAL 58 -4.541 -12.320 5.255 425 HG12 VAL 58 HG12 VAL 58 -6.279 -12.564 5.027 426 HG13 VAL 58 HG13 VAL 58 -5.638 -12.219 6.642 427 HG21 VAL 58 HG21 VAL 58 -7.581 -10.423 6.358 428 HG22 VAL 58 HG22 VAL 58 -7.719 -10.629 4.611 429 HG23 VAL 58 HG23 VAL 58 -7.264 -9.061 5.284 430 H GLN 59 H GLN 59 -3.636 -11.430 7.701 431 HA GLN 59 HA GLN 59 -5.537 -11.835 9.764 432 HB2 GLN 59 HB2 GLN 59 -2.596 -12.456 9.907 433 HB3 GLN 59 HB3 GLN 59 -3.921 -13.312 10.683 434 HG2 GLN 59 HG2 GLN 59 -3.858 -13.128 7.736 435 HG3 GLN 59 HG3 GLN 59 -2.770 -14.249 8.517 436 HE21 GLN 59 HE21 GLN 59 -4.894 -14.805 6.720 437 HE22 GLN 59 HE22 GLN 59 -6.042 -15.800 7.548 438 H ASN 60 H ASN 60 -2.898 -9.820 9.160 439 HA ASN 60 HA ASN 60 -2.408 -8.732 11.705 440 HB2 ASN 60 HB2 ASN 60 -1.549 -8.367 8.931 441 HB3 ASN 60 HB3 ASN 60 -1.545 -6.898 9.869 442 HD21 ASN 60 HD21 ASN 60 -0.167 -10.028 9.461 443 HD22 ASN 60 HD22 ASN 60 1.195 -9.784 10.501 444 HA PRO 61 HA PRO 61 -5.237 -5.298 12.412 445 HB2 PRO 61 HB2 PRO 61 -2.896 -3.636 11.509 446 HB3 PRO 61 HB3 PRO 61 -4.013 -3.346 12.846 447 HG2 PRO 61 HG2 PRO 61 -1.639 -4.395 13.325 448 HG3 PRO 61 HG3 PRO 61 -3.072 -5.008 14.168 449 HD2 PRO 61 HD2 PRO 61 -1.474 -6.254 12.009 450 HD3 PRO 61 HD3 PRO 61 -2.447 -7.016 13.281 451 HA PRO 62 HA PRO 62 -7.730 -3.757 9.194 452 HB2 PRO 62 HB2 PRO 62 -6.446 -1.111 9.616 453 HB3 PRO 62 HB3 PRO 62 -8.149 -1.493 9.350 454 HG2 PRO 62 HG2 PRO 62 -7.228 -1.088 11.809 455 HG3 PRO 62 HG3 PRO 62 -8.426 -2.353 11.482 456 HD2 PRO 62 HD2 PRO 62 -5.585 -2.601 12.193 457 HD3 PRO 62 HD3 PRO 62 -6.894 -3.781 12.360 458 H GLN 63 H GLN 63 -4.378 -3.395 8.602 459 HA GLN 63 HA GLN 63 -4.012 -1.856 6.421 460 HB2 GLN 63 HB2 GLN 63 -2.368 -3.276 7.672 461 HB3 GLN 63 HB3 GLN 63 -2.820 -4.571 6.569 462 HG2 GLN 63 HG2 GLN 63 -2.350 -2.799 4.747 463 HG3 GLN 63 HG3 GLN 63 -1.395 -2.022 6.010 464 HE21 GLN 63 HE21 GLN 63 -1.973 -5.362 5.118 465 HE22 GLN 63 HE22 GLN 63 -0.335 -5.741 4.971 466 H LEU 64 H LEU 64 -5.765 -4.836 6.356 467 HA LEU 64 HA LEU 64 -5.661 -5.735 3.813 468 HB2 LEU 64 HB2 LEU 64 -6.991 -6.915 5.287 469 HB3 LEU 64 HB3 LEU 64 -7.912 -5.500 5.760 470 HG LEU 64 HG LEU 64 -8.745 -5.503 3.339 471 HD11 LEU 64 HD11 LEU 64 -7.183 -7.097 2.426 472 HD12 LEU 64 HD12 LEU 64 -8.827 -7.718 2.282 473 HD13 LEU 64 HD13 LEU 64 -7.759 -8.339 3.537 474 HD21 LEU 64 HD21 LEU 64 -10.067 -6.078 5.394 475 HD22 LEU 64 HD22 LEU 64 -9.694 -7.776 5.062 476 HD23 LEU 64 HD23 LEU 64 -10.622 -6.829 3.889 477 H GLY 65 H GLY 65 -7.695 -3.092 4.963 478 HA2 GLY 65 HA2 GLY 65 -9.211 -2.610 2.709 479 HA3 GLY 65 HA3 GLY 65 -8.763 -1.383 3.861 480 H ARG 66 H ARG 66 -5.920 -1.669 3.283 481 HA ARG 66 HA ARG 66 -5.731 0.257 1.202 482 HB2 ARG 66 HB2 ARG 66 -3.972 0.692 2.477 483 HB3 ARG 66 HB3 ARG 66 -4.116 -0.864 3.279 484 HG2 ARG 66 HG2 ARG 66 -3.014 -1.773 1.090 485 HG3 ARG 66 HG3 ARG 66 -2.448 -0.104 0.939 486 HD2 ARG 66 HD2 ARG 66 -2.219 -1.228 3.596 487 HD3 ARG 66 HD3 ARG 66 -1.224 -2.066 2.387 488 HE ARG 66 HE ARG 66 -0.956 0.758 2.140 489 HH11 ARG 66 HH11 ARG 66 0.084 -1.870 4.223 490 HH12 ARG 66 HH12 ARG 66 1.492 -1.030 4.777 491 HH21 ARG 66 HH21 ARG 66 0.901 1.850 2.890 492 HH22 ARG 66 HH22 ARG 66 1.954 1.078 4.026 493 H ILE 67 H ILE 67 -5.229 -3.113 1.575 494 HA ILE 67 HA ILE 67 -3.497 -3.560 -0.594 495 HB ILE 67 HB ILE 67 -5.277 -5.483 0.889 496 HG12 ILE 67 HG12 ILE 67 -2.498 -4.443 1.554 497 HG13 ILE 67 HG13 ILE 67 -3.987 -4.105 2.426 498 HG21 ILE 67 HG21 ILE 67 -3.589 -7.142 0.309 499 HG22 ILE 67 HG22 ILE 67 -2.697 -5.920 -0.601 500 HG23 ILE 67 HG23 ILE 67 -4.310 -6.412 -1.130 501 HD11 ILE 67 HD11 ILE 67 -4.181 -6.369 3.140 502 HD12 ILE 67 HD12 ILE 67 -2.562 -5.785 3.521 503 HD13 ILE 67 HD13 ILE 67 -2.820 -6.842 2.137 504 H LEU 68 H LEU 68 -6.964 -4.096 -0.139 505 HA LEU 68 HA LEU 68 -7.541 -5.579 -2.356 506 HB2 LEU 68 HB2 LEU 68 -9.211 -3.479 -1.025 507 HB3 LEU 68 HB3 LEU 68 -9.826 -4.480 -2.316 508 HG LEU 68 HG LEU 68 -10.570 -5.755 -0.646 509 HD11 LEU 68 HD11 LEU 68 -9.025 -7.477 0.113 510 HD12 LEU 68 HD12 LEU 68 -7.673 -6.511 -0.476 511 HD13 LEU 68 HD13 LEU 68 -8.858 -7.153 -1.612 512 HD21 LEU 68 HD21 LEU 68 -8.399 -4.800 1.199 513 HD22 LEU 68 HD22 LEU 68 -9.912 -5.615 1.644 514 HD23 LEU 68 HD23 LEU 68 -9.942 -3.975 0.985 515 H LYS 69 H LYS 69 -7.753 -2.009 -2.211 516 HA LYS 69 HA LYS 69 -8.606 -1.972 -4.965 517 HB2 LYS 69 HB2 LYS 69 -8.133 0.245 -2.973 518 HB3 LYS 69 HB3 LYS 69 -8.738 0.501 -4.604 519 HG2 LYS 69 HG2 LYS 69 -10.107 -1.232 -2.560 520 HG3 LYS 69 HG3 LYS 69 -10.489 0.469 -2.833 521 HD2 LYS 69 HD2 LYS 69 -11.051 -0.039 -5.164 522 HD3 LYS 69 HD3 LYS 69 -10.675 -1.739 -4.882 523 HE2 LYS 69 HE2 LYS 69 -12.466 -1.890 -3.249 524 HE3 LYS 69 HE3 LYS 69 -12.810 -0.172 -3.438 525 HZ1 LYS 69 HZ1 LYS 69 -14.363 -1.499 -4.703 526 HZ2 LYS 69 HZ2 LYS 69 -13.103 -2.248 -5.541 527 HZ3 LYS 69 HZ3 LYS 69 -13.396 -0.599 -5.757 528 H TYR 70 H TYR 70 -5.910 -0.306 -3.255 529 HA TYR 70 HA TYR 70 -4.617 -0.173 -5.892 530 HB2 TYR 70 HB2 TYR 70 -4.752 1.996 -3.807 531 HB3 TYR 70 HB3 TYR 70 -3.710 2.057 -5.224 532 HD1 TYR 70 HD1 TYR 70 -4.923 1.728 -7.519 533 HD2 TYR 70 HD2 TYR 70 -6.882 2.919 -3.935 534 HE1 TYR 70 HE1 TYR 70 -6.761 2.673 -8.844 535 HE2 TYR 70 HE2 TYR 70 -8.730 3.867 -5.256 536 HH TYR 70 HH TYR 70 -9.143 3.220 -8.560 537 H HIS 71 H HIS 71 -4.209 -1.179 -2.691 538 HA HIS 71 HA HIS 71 -2.419 -1.901 -1.463 539 HB2 HIS 71 HB2 HIS 71 -1.847 -2.922 -3.783 540 HB3 HIS 71 HB3 HIS 71 -0.696 -1.607 -3.931 541 HD1 HIS 71 HD1 HIS 71 -1.127 -4.953 -2.527 542 HD2 HIS 71 HD2 HIS 71 1.466 -1.747 -2.003 543 HE1 HIS 71 HE1 HIS 71 0.879 -5.895 -1.345 544 HE2 HIS 71 HE2 HIS 71 2.521 -3.988 -1.260 545 H VAL 72 H VAL 72 -3.124 0.766 -1.397 546 HA VAL 72 HA VAL 72 -0.682 2.338 -1.812 547 HB VAL 72 HB VAL 72 -2.603 2.922 -3.260 548 HG11 VAL 72 HG11 VAL 72 -4.580 3.993 -2.307 549 HG12 VAL 72 HG12 VAL 72 -3.970 3.679 -0.682 550 HG13 VAL 72 HG13 VAL 72 -4.409 2.333 -1.732 551 HG21 VAL 72 HG21 VAL 72 -2.616 5.359 -2.794 552 HG22 VAL 72 HG22 VAL 72 -0.999 4.653 -2.760 553 HG23 VAL 72 HG23 VAL 72 -1.826 5.032 -1.251 554 H VAL 73 H VAL 73 -0.247 4.066 -0.424 555 HA VAL 73 HA VAL 73 -1.819 4.346 2.020 556 HB VAL 73 HB VAL 73 0.019 3.252 2.945 557 HG11 VAL 73 HG11 VAL 73 1.393 3.091 0.940 558 HG12 VAL 73 HG12 VAL 73 2.357 3.637 2.313 559 HG13 VAL 73 HG13 VAL 73 1.825 4.794 1.094 560 HG21 VAL 73 HG21 VAL 73 1.258 4.888 4.170 561 HG22 VAL 73 HG22 VAL 73 -0.406 5.457 3.975 562 HG23 VAL 73 HG23 VAL 73 0.894 6.120 2.956 563 H ALA 74 H ALA 74 -2.348 6.440 2.368 564 HA ALA 74 HA ALA 74 -1.626 8.451 0.485 565 HB1 ALA 74 HB1 ALA 74 -3.773 8.532 1.585 566 HB2 ALA 74 HB2 ALA 74 -2.838 9.973 1.999 567 HB3 ALA 74 HB3 ALA 74 -2.988 8.650 3.163 568 H GLY 75 H GLY 75 -0.167 10.015 0.592 569 HA2 GLY 75 HA2 GLY 75 1.071 11.559 2.139 570 HA3 GLY 75 HA3 GLY 75 1.502 10.113 3.038 571 H ALA 76 H ALA 76 2.072 11.993 0.198 572 HA ALA 76 HA ALA 76 3.473 10.220 -1.395 573 HB1 ALA 76 HB1 ALA 76 3.841 13.203 -1.206 574 HB2 ALA 76 HB2 ALA 76 2.615 12.376 -2.164 575 HB3 ALA 76 HB3 ALA 76 4.322 12.176 -2.557 576 H TYR 77 H TYR 77 5.022 9.031 -0.491 577 HA TYR 77 HA TYR 77 7.159 10.377 0.969 578 HB2 TYR 77 HB2 TYR 77 8.065 8.165 1.490 579 HB3 TYR 77 HB3 TYR 77 6.461 8.332 2.127 580 HD1 TYR 77 HD1 TYR 77 7.877 7.141 -1.157 581 HD2 TYR 77 HD2 TYR 77 5.322 6.343 2.163 582 HE1 TYR 77 HE1 TYR 77 7.374 4.927 -2.086 583 HE2 TYR 77 HE2 TYR 77 4.798 4.128 1.222 584 HH TYR 77 HH TYR 77 4.817 3.049 -1.076 585 H LYS 78 H LYS 78 9.235 10.414 0.253 586 HA LYS 78 HA LYS 78 9.746 8.924 -2.206 587 HB2 LYS 78 HB2 LYS 78 11.156 11.336 -1.115 588 HB3 LYS 78 HB3 LYS 78 11.840 10.335 -2.382 589 HG2 LYS 78 HG2 LYS 78 10.746 11.780 -3.744 590 HG3 LYS 78 HG3 LYS 78 9.392 10.720 -3.390 591 HD2 LYS 78 HD2 LYS 78 9.365 12.419 -1.267 592 HD3 LYS 78 HD3 LYS 78 9.829 13.479 -2.603 593 HE2 LYS 78 HE2 LYS 78 7.918 12.659 -3.902 594 HE3 LYS 78 HE3 LYS 78 7.482 11.610 -2.549 595 HZ1 LYS 78 HZ1 LYS 78 6.175 13.678 -2.626 596 HZ2 LYS 78 HZ2 LYS 78 7.589 14.575 -2.397 597 HZ3 LYS 78 HZ3 LYS 78 7.052 13.524 -1.188 598 H ALA 79 H ALA 79 11.859 7.718 -2.241 599 HA ALA 79 HA ALA 79 11.781 5.876 -0.180 600 HB1 ALA 79 HB1 ALA 79 13.820 4.940 -1.069 601 HB2 ALA 79 HB2 ALA 79 14.161 6.437 -1.938 602 HB3 ALA 79 HB3 ALA 79 12.771 5.453 -2.391 603 H THR 80 H THR 80 13.537 8.826 -0.359 604 HA THR 80 HA THR 80 15.484 8.158 1.637 605 HB THR 80 HB THR 80 16.014 9.772 -0.137 606 HG1 THR 80 HG1 THR 80 16.878 9.852 2.157 607 HG21 THR 80 HG21 THR 80 15.115 12.056 -0.046 608 HG22 THR 80 HG22 THR 80 14.028 11.574 1.257 609 HG23 THR 80 HG23 THR 80 13.842 10.874 -0.351 610 H ASP 81 H ASP 81 12.288 9.483 1.604 611 HA ASP 81 HA ASP 81 12.399 10.783 4.160 612 HB2 ASP 81 HB2 ASP 81 10.721 11.302 2.360 613 HB3 ASP 81 HB3 ASP 81 9.973 9.734 2.659 614 H LEU 82 H LEU 82 10.995 7.805 2.955 615 HA LEU 82 HA LEU 82 10.118 6.683 5.316 616 HB2 LEU 82 HB2 LEU 82 11.171 5.411 2.802 617 HB3 LEU 82 HB3 LEU 82 10.279 4.532 4.039 618 HG LEU 82 HG LEU 82 8.423 5.068 2.837 619 HD11 LEU 82 HD11 LEU 82 8.965 7.881 3.678 620 HD12 LEU 82 HD12 LEU 82 8.235 6.643 4.699 621 HD13 LEU 82 HD13 LEU 82 7.415 7.168 3.234 622 HD21 LEU 82 HD21 LEU 82 8.469 6.439 0.914 623 HD22 LEU 82 HD22 LEU 82 10.002 5.545 0.988 624 HD23 LEU 82 HD23 LEU 82 9.953 7.240 1.471 625 H LYS 83 H LYS 83 13.248 6.120 3.710 626 HA LYS 83 HA LYS 83 14.197 4.350 5.698 627 HB2 LYS 83 HB2 LYS 83 15.073 4.503 3.381 628 HB3 LYS 83 HB3 LYS 83 15.796 6.046 3.807 629 HG2 LYS 83 HG2 LYS 83 17.350 5.075 5.230 630 HG3 LYS 83 HG3 LYS 83 16.439 3.569 5.349 631 HD2 LYS 83 HD2 LYS 83 18.391 3.241 3.948 632 HD3 LYS 83 HD3 LYS 83 16.926 3.113 2.975 633 HE2 LYS 83 HE2 LYS 83 18.544 4.394 1.761 634 HE3 LYS 83 HE3 LYS 83 17.248 5.471 2.276 635 HZ1 LYS 83 HZ1 LYS 83 19.394 6.484 2.635 636 HZ2 LYS 83 HZ2 LYS 83 19.895 5.179 3.585 637 HZ3 LYS 83 HZ3 LYS 83 18.649 6.185 4.122 638 H ARG 84 H ARG 84 14.423 7.830 5.309 639 HA ARG 84 HA ARG 84 16.188 8.515 7.307 640 HB2 ARG 84 HB2 ARG 84 14.330 9.789 5.677 641 HB3 ARG 84 HB3 ARG 84 13.850 10.199 7.310 642 HG2 ARG 84 HG2 ARG 84 15.660 11.480 7.678 643 HG3 ARG 84 HG3 ARG 84 16.720 10.415 6.749 644 HD2 ARG 84 HD2 ARG 84 15.813 11.281 4.689 645 HD3 ARG 84 HD3 ARG 84 14.710 12.327 5.582 646 HE ARG 84 HE ARG 84 16.923 13.276 6.527 647 HH11 ARG 84 HH11 ARG 84 16.446 12.108 3.263 648 HH12 ARG 84 HH12 ARG 84 17.592 13.207 2.570 649 HH21 ARG 84 HH21 ARG 84 18.447 14.717 5.610 650 HH22 ARG 84 HH22 ARG 84 18.729 14.682 3.898 651 H MET 85 H MET 85 12.772 7.759 7.464 652 HA MET 85 HA MET 85 12.610 7.999 10.327 653 HB2 MET 85 HB2 MET 85 10.720 6.671 8.384 654 HB3 MET 85 HB3 MET 85 10.372 7.011 10.068 655 HG2 MET 85 HG2 MET 85 10.514 9.378 9.642 656 HG3 MET 85 HG3 MET 85 10.957 9.074 7.966 657 HE1 MET 85 HE1 MET 85 8.625 11.037 8.543 658 HE2 MET 85 HE2 MET 85 7.400 10.461 7.414 659 HE3 MET 85 HE3 MET 85 9.092 10.513 6.926 660 H GLY 86 H GLY 86 12.941 5.383 7.988 661 HA2 GLY 86 HA2 GLY 86 13.878 3.267 8.374 662 HA3 GLY 86 HA3 GLY 86 13.814 3.579 10.101 663 H ILE 87 H ILE 87 10.942 4.336 8.548 664 HA ILE 87 HA ILE 87 9.650 1.829 8.626 665 HB ILE 87 HB ILE 87 9.991 2.723 11.118 666 HG12 ILE 87 HG12 ILE 87 7.245 1.735 10.392 667 HG13 ILE 87 HG13 ILE 87 8.645 0.696 10.186 668 HG21 ILE 87 HG21 ILE 87 8.982 4.877 10.706 669 HG22 ILE 87 HG22 ILE 87 7.992 3.963 11.848 670 HG23 ILE 87 HG23 ILE 87 7.502 4.093 10.154 671 HD11 ILE 87 HD11 ILE 87 9.148 0.988 12.586 672 HD12 ILE 87 HD12 ILE 87 7.595 0.214 12.274 673 HD13 ILE 87 HD13 ILE 87 7.655 1.913 12.745 674 H VAL 88 H VAL 88 7.457 2.013 8.027 675 HA VAL 88 HA VAL 88 6.617 4.625 6.965 676 HB VAL 88 HB VAL 88 5.627 3.331 5.029 677 HG11 VAL 88 HG11 VAL 88 7.540 4.572 4.532 678 HG12 VAL 88 HG12 VAL 88 7.937 2.942 3.968 679 HG13 VAL 88 HG13 VAL 88 8.578 3.532 5.513 680 HG21 VAL 88 HG21 VAL 88 7.405 1.163 6.166 681 HG22 VAL 88 HG22 VAL 88 6.660 1.124 4.558 682 HG23 VAL 88 HG23 VAL 88 5.644 1.114 6.002 683 H THR 89 H THR 89 4.396 5.044 7.174 684 HA THR 89 HA THR 89 2.962 3.010 8.738 685 HB THR 89 HB THR 89 2.169 5.909 8.634 686 HG1 THR 89 HG1 THR 89 4.399 5.635 9.390 687 HG21 THR 89 HG21 THR 89 1.185 5.320 10.838 688 HG22 THR 89 HG22 THR 89 1.721 3.649 10.603 689 HG23 THR 89 HG23 THR 89 0.520 4.358 9.515 690 H SER 90 H SER 90 1.145 2.173 8.039 691 HA SER 90 HA SER 90 0.257 2.492 5.384 692 HB2 SER 90 HB2 SER 90 -0.071 0.389 6.470 693 HB3 SER 90 HB3 SER 90 -0.935 1.122 7.814 694 HG SER 90 HG SER 90 -2.314 0.082 6.277 695 H LEU 91 H LEU 91 -1.969 3.107 4.744 696 HA LEU 91 HA LEU 91 -2.814 5.599 5.562 697 HB2 LEU 91 HB2 LEU 91 -3.476 4.042 3.548 698 HB3 LEU 91 HB3 LEU 91 -4.803 3.575 4.580 699 HG LEU 91 HG LEU 91 -5.839 5.599 4.450 700 HD11 LEU 91 HD11 LEU 91 -3.118 6.723 3.935 701 HD12 LEU 91 HD12 LEU 91 -4.183 7.027 5.313 702 HD13 LEU 91 HD13 LEU 91 -4.595 7.662 3.717 703 HD21 LEU 91 HD21 LEU 91 -5.685 4.593 2.226 704 HD22 LEU 91 HD22 LEU 91 -4.233 5.546 1.916 705 HD23 LEU 91 HD23 LEU 91 -5.780 6.355 2.163 706 H GLU 92 H GLU 92 -3.496 2.408 6.754 707 HA GLU 92 HA GLU 92 -5.714 3.216 8.434 708 HB2 GLU 92 HB2 GLU 92 -5.735 0.916 9.203 709 HB3 GLU 92 HB3 GLU 92 -5.580 0.948 7.443 710 HG2 GLU 92 HG2 GLU 92 -3.884 -0.460 7.698 711 HG3 GLU 92 HG3 GLU 92 -2.971 0.904 8.328 712 H GLY 93 H GLY 93 -2.318 2.912 8.643 713 HA2 GLY 93 HA2 GLY 93 -1.270 4.233 10.446 714 HA3 GLY 93 HA3 GLY 93 -2.431 3.504 11.531 715 H SER 94 H SER 94 -1.458 1.090 9.443 716 HA SER 94 HA SER 94 0.177 -0.087 11.442 717 HB2 SER 94 HB2 SER 94 -0.973 -0.925 8.844 718 HB3 SER 94 HB3 SER 94 0.457 -1.788 9.403 719 HG SER 94 HG SER 94 -2.129 -1.868 10.331 720 H THR 95 H THR 95 2.264 0.262 11.716 721 HA THR 95 HA THR 95 3.861 1.467 9.652 722 HB THR 95 HB THR 95 5.599 0.858 11.688 723 HG1 THR 95 HG1 THR 95 4.533 0.957 13.584 724 HG21 THR 95 HG21 THR 95 5.343 3.197 12.323 725 HG22 THR 95 HG22 THR 95 3.805 3.274 11.463 726 HG23 THR 95 HG23 THR 95 5.304 3.020 10.567 727 H ILE 96 H ILE 96 5.535 0.655 8.579 728 HA ILE 96 HA ILE 96 6.260 -2.171 8.912 729 HB ILE 96 HB ILE 96 5.576 -0.696 6.398 730 HG12 ILE 96 HG12 ILE 96 4.660 -3.053 5.854 731 HG13 ILE 96 HG13 ILE 96 4.887 -3.374 7.570 732 HG21 ILE 96 HG21 ILE 96 7.582 -2.892 6.635 733 HG22 ILE 96 HG22 ILE 96 7.720 -1.355 5.786 734 HG23 ILE 96 HG23 ILE 96 6.671 -2.625 5.151 735 HD11 ILE 96 HD11 ILE 96 3.389 -1.516 8.111 736 HD12 ILE 96 HD12 ILE 96 2.602 -2.731 7.105 737 HD13 ILE 96 HD13 ILE 96 3.151 -1.217 6.389 738 HA PRO 97 HA PRO 97 10.127 -0.100 9.520 739 HB2 PRO 97 HB2 PRO 97 11.541 -2.624 9.393 740 HB3 PRO 97 HB3 PRO 97 11.184 -1.628 10.802 741 HG2 PRO 97 HG2 PRO 97 10.054 -4.078 10.324 742 HG3 PRO 97 HG3 PRO 97 9.313 -2.815 11.323 743 HD2 PRO 97 HD2 PRO 97 8.702 -3.627 8.518 744 HD3 PRO 97 HD3 PRO 97 7.612 -3.066 9.803 745 H ILE 98 H ILE 98 11.365 0.892 8.222 746 HA ILE 98 HA ILE 98 12.014 -0.204 5.603 747 HB ILE 98 HB ILE 98 12.232 2.582 6.736 748 HG12 ILE 98 HG12 ILE 98 9.951 1.786 6.284 749 HG13 ILE 98 HG13 ILE 98 10.422 3.087 5.200 750 HG21 ILE 98 HG21 ILE 98 12.802 3.289 4.471 751 HG22 ILE 98 HG22 ILE 98 12.838 1.603 3.956 752 HG23 ILE 98 HG23 ILE 98 14.010 2.190 5.135 753 HD11 ILE 98 HD11 ILE 98 9.171 1.151 4.186 754 HD12 ILE 98 HD12 ILE 98 10.647 0.205 4.425 755 HD13 ILE 98 HD13 ILE 98 10.672 1.631 3.386 756 H HIS 99 H HIS 99 14.012 -0.509 4.900 757 HA HIS 99 HA HIS 99 16.292 0.196 6.612 758 HB2 HIS 99 HB2 HIS 99 16.074 -2.459 5.215 759 HB3 HIS 99 HB3 HIS 99 17.347 -1.939 6.300 760 HD1 HIS 99 HD1 HIS 99 14.259 -3.811 6.240 761 HD2 HIS 99 HD2 HIS 99 16.345 -1.578 9.059 762 HE1 HIS 99 HE1 HIS 99 13.317 -4.487 8.471 763 HE2 HIS 99 HE2 HIS 99 14.706 -3.241 10.165 764 H GLY 100 H GLY 100 18.402 -0.304 5.174 765 HA2 GLY 100 HA2 GLY 100 18.276 -0.470 2.429 766 HA3 GLY 100 HA3 GLY 100 18.082 1.236 2.784 767 H ASP 101 H ASP 101 20.261 -1.252 2.226 768 HA ASP 101 HA ASP 101 22.524 0.080 3.482 769 HB2 ASP 101 HB2 ASP 101 22.427 -2.415 3.302 770 HB3 ASP 101 HB3 ASP 101 22.517 -2.255 1.551 771 H ASN 102 H ASN 102 21.349 -0.696 0.253 772 HA ASN 102 HA ASN 102 22.688 1.713 -0.735 773 HB2 ASN 102 HB2 ASN 102 23.983 -0.174 -1.539 774 HB3 ASN 102 HB3 ASN 102 22.538 -0.948 -2.165 775 HD21 ASN 102 HD21 ASN 102 21.645 -0.220 -4.089 776 HD22 ASN 102 HD22 ASN 102 22.462 0.886 -5.133 777 HA PRO 103 HA PRO 103 18.454 1.445 -2.845 778 HB2 PRO 103 HB2 PRO 103 17.062 -0.765 -3.110 779 HB3 PRO 103 HB3 PRO 103 18.551 -0.592 -4.049 780 HG2 PRO 103 HG2 PRO 103 18.096 -2.075 -1.487 781 HG3 PRO 103 HG3 PRO 103 18.927 -2.625 -2.958 782 HD2 PRO 103 HD2 PRO 103 20.213 -1.570 -0.778 783 HD3 PRO 103 HD3 PRO 103 20.869 -1.557 -2.417 784 H LEU 104 H LEU 104 16.100 1.377 -2.126 785 HA LEU 104 HA LEU 104 15.886 1.487 0.725 786 HB2 LEU 104 HB2 LEU 104 14.560 2.939 -0.835 787 HB3 LEU 104 HB3 LEU 104 13.696 1.509 -1.335 788 HG LEU 104 HG LEU 104 13.049 1.289 1.162 789 HD11 LEU 104 HD11 LEU 104 14.531 2.925 2.087 790 HD12 LEU 104 HD12 LEU 104 12.866 3.486 2.295 791 HD13 LEU 104 HD13 LEU 104 13.883 4.176 1.024 792 HD21 LEU 104 HD21 LEU 104 11.244 1.684 -0.151 793 HD22 LEU 104 HD22 LEU 104 11.969 3.097 -0.923 794 HD23 LEU 104 HD23 LEU 104 11.295 3.226 0.704 795 H GLU 105 H GLU 105 14.434 0.206 1.981 796 HA GLU 105 HA GLU 105 14.009 -2.506 0.971 797 HB2 GLU 105 HB2 GLU 105 15.563 -1.791 3.460 798 HB3 GLU 105 HB3 GLU 105 15.029 -3.418 3.053 799 HG2 GLU 105 HG2 GLU 105 16.540 -2.026 0.959 800 HG3 GLU 105 HG3 GLU 105 17.445 -2.404 2.433 801 H VAL 106 H VAL 106 12.055 -3.105 1.437 802 HA VAL 106 HA VAL 106 10.688 -1.750 3.660 803 HB VAL 106 HB VAL 106 9.705 -0.748 1.879 804 HG11 VAL 106 HG11 VAL 106 10.260 -3.245 0.328 805 HG12 VAL 106 HG12 VAL 106 10.914 -1.614 0.080 806 HG13 VAL 106 HG13 VAL 106 9.220 -1.965 -0.296 807 HG21 VAL 106 HG21 VAL 106 7.829 -1.710 2.960 808 HG22 VAL 106 HG22 VAL 106 8.106 -3.277 2.187 809 HG23 VAL 106 HG23 VAL 106 7.562 -1.903 1.221 810 H LYS 107 H LYS 107 10.459 -3.137 5.229 811 HA LYS 107 HA LYS 107 10.288 -4.987 6.455 812 HB2 LYS 107 HB2 LYS 107 8.247 -6.321 6.204 813 HB3 LYS 107 HB3 LYS 107 7.950 -4.601 6.161 814 HG2 LYS 107 HG2 LYS 107 7.865 -4.830 3.632 815 HG3 LYS 107 HG3 LYS 107 7.810 -6.570 3.914 816 HD2 LYS 107 HD2 LYS 107 5.820 -6.265 5.317 817 HD3 LYS 107 HD3 LYS 107 5.842 -4.542 4.938 818 HE2 LYS 107 HE2 LYS 107 4.266 -5.639 3.494 819 HE3 LYS 107 HE3 LYS 107 5.654 -5.109 2.543 820 HZ1 LYS 107 HZ1 LYS 107 5.136 -7.873 3.498 821 HZ2 LYS 107 HZ2 LYS 107 6.532 -7.384 2.681 822 HZ3 LYS 107 HZ3 LYS 107 5.032 -7.329 1.893 823 H ASN 108 H ASN 108 9.458 -6.551 3.348 824 HA ASN 108 HA ASN 108 11.558 -8.517 3.963 825 HB2 ASN 108 HB2 ASN 108 10.077 -10.312 3.201 826 HB3 ASN 108 HB3 ASN 108 9.321 -9.441 4.529 827 HD21 ASN 108 HD21 ASN 108 8.071 -11.086 2.499 828 HD22 ASN 108 HD22 ASN 108 6.954 -10.068 1.646 829 H ALA 109 H ALA 109 10.669 -6.167 2.022 830 HA ALA 109 HA ALA 109 11.396 -7.529 -0.474 831 HB1 ALA 109 HB1 ALA 109 9.053 -6.785 -0.378 832 HB2 ALA 109 HB2 ALA 109 9.975 -5.965 -1.636 833 HB3 ALA 109 HB3 ALA 109 9.610 -5.125 -0.127 834 H THR 110 H THR 110 12.289 -6.010 -2.111 835 HA THR 110 HA THR 110 14.059 -4.043 -0.905 836 HB THR 110 HB THR 110 14.815 -5.956 -3.130 837 HG1 THR 110 HG1 THR 110 15.516 -5.901 -0.343 838 HG21 THR 110 HG21 THR 110 15.978 -3.807 -3.244 839 HG22 THR 110 HG22 THR 110 17.092 -5.077 -2.737 840 HG23 THR 110 HG23 THR 110 16.440 -3.947 -1.548 841 H VAL 111 H VAL 111 14.249 -2.218 -2.027 842 HA VAL 111 HA VAL 111 12.173 -1.771 -3.998 843 HB VAL 111 HB VAL 111 14.124 0.062 -2.649 844 HG11 VAL 111 HG11 VAL 111 11.758 0.741 -4.395 845 HG12 VAL 111 HG12 VAL 111 13.451 1.022 -4.797 846 HG13 VAL 111 HG13 VAL 111 12.705 1.898 -3.460 847 HG21 VAL 111 HG21 VAL 111 11.308 -0.744 -2.158 848 HG22 VAL 111 HG22 VAL 111 11.971 0.753 -1.522 849 HG23 VAL 111 HG23 VAL 111 12.686 -0.790 -1.059 850 H LEU 112 H LEU 112 12.391 -1.706 -6.088 851 HA LEU 112 HA LEU 112 15.028 -1.794 -7.281 852 HB2 LEU 112 HB2 LEU 112 12.274 -2.159 -8.435 853 HB3 LEU 112 HB3 LEU 112 13.735 -2.188 -9.391 854 HG LEU 112 HG LEU 112 14.459 -4.117 -7.830 855 HD11 LEU 112 HD11 LEU 112 13.004 -4.909 -6.337 856 HD12 LEU 112 HD12 LEU 112 11.646 -4.801 -7.483 857 HD13 LEU 112 HD13 LEU 112 12.163 -3.368 -6.572 858 HD21 LEU 112 HD21 LEU 112 12.171 -4.479 -9.767 859 HD22 LEU 112 HD22 LEU 112 13.257 -5.749 -9.204 860 HD23 LEU 112 HD23 LEU 112 13.883 -4.425 -10.186 861 H ALA 113 H ALA 113 12.216 0.275 -6.961 862 HA ALA 113 HA ALA 113 13.652 2.521 -8.002 863 HB1 ALA 113 HB1 ALA 113 11.347 1.430 -9.609 864 HB2 ALA 113 HB2 ALA 113 13.037 1.472 -10.111 865 HB3 ALA 113 HB3 ALA 113 12.146 2.977 -9.886 866 H ALA 114 H ALA 114 13.060 4.000 -6.566 867 HA ALA 114 HA ALA 114 10.197 4.415 -6.175 868 HB1 ALA 114 HB1 ALA 114 10.904 3.333 -4.167 869 HB2 ALA 114 HB2 ALA 114 10.740 5.050 -3.794 870 HB3 ALA 114 HB3 ALA 114 12.340 4.349 -4.065 871 H ASP 115 H ASP 115 10.253 6.663 -4.695 872 HA ASP 115 HA ASP 115 10.267 8.918 -5.003 873 HB2 ASP 115 HB2 ASP 115 12.713 8.796 -4.780 874 HB3 ASP 115 HB3 ASP 115 12.868 8.354 -6.473 875 H ILE 116 H ILE 116 9.134 6.887 -6.792 876 HA ILE 116 HA ILE 116 9.114 8.070 -9.418 877 HB ILE 116 HB ILE 116 7.250 5.965 -8.344 878 HG12 ILE 116 HG12 ILE 116 10.007 5.606 -9.515 879 HG13 ILE 116 HG13 ILE 116 9.483 5.168 -7.904 880 HG21 ILE 116 HG21 ILE 116 6.639 7.021 -10.457 881 HG22 ILE 116 HG22 ILE 116 7.048 5.315 -10.673 882 HG23 ILE 116 HG23 ILE 116 8.209 6.562 -11.131 883 HD11 ILE 116 HD11 ILE 116 8.022 3.465 -8.815 884 HD12 ILE 116 HD12 ILE 116 9.682 3.223 -9.356 885 HD13 ILE 116 HD13 ILE 116 8.489 3.921 -10.452 886 H GLU 117 H GLU 117 8.020 9.941 -9.576 887 HA GLU 117 HA GLU 117 5.965 10.674 -7.792 888 HB2 GLU 117 HB2 GLU 117 6.584 11.852 -10.495 889 HB3 GLU 117 HB3 GLU 117 5.609 12.590 -9.227 890 HG2 GLU 117 HG2 GLU 117 7.605 12.555 -7.749 891 HG3 GLU 117 HG3 GLU 117 8.549 11.967 -9.120 892 H ALA 118 H ALA 118 4.186 9.612 -7.665 893 HA ALA 118 HA ALA 118 2.866 8.413 -9.917 894 HB1 ALA 118 HB1 ALA 118 2.011 7.100 -8.363 895 HB2 ALA 118 HB2 ALA 118 1.164 8.476 -7.651 896 HB3 ALA 118 HB3 ALA 118 2.800 8.074 -7.115 897 H GLU 119 H GLU 119 0.319 8.710 -9.724 898 HA GLU 119 HA GLU 119 -0.408 11.095 -10.870 899 HB2 GLU 119 HB2 GLU 119 -2.751 10.462 -9.938 900 HB3 GLU 119 HB3 GLU 119 -1.962 9.393 -11.088 901 HG2 GLU 119 HG2 GLU 119 -1.231 7.949 -9.281 902 HG3 GLU 119 HG3 GLU 119 -1.953 9.034 -8.097 903 H ASN 120 H ASN 120 -0.795 10.229 -7.423 904 HA ASN 120 HA ASN 120 -1.013 13.109 -6.862 905 HB2 ASN 120 HB2 ASN 120 -2.402 10.778 -5.591 906 HB3 ASN 120 HB3 ASN 120 -2.194 12.281 -4.708 907 HD21 ASN 120 HD21 ASN 120 -4.347 12.743 -4.604 908 HD22 ASN 120 HD22 ASN 120 -5.286 13.188 -5.989 909 H GLY 121 H GLY 121 0.934 10.372 -6.398 910 HA2 GLY 121 HA2 GLY 121 2.456 11.821 -4.371 911 HA3 GLY 121 HA3 GLY 121 1.862 10.248 -3.881 912 H ILE 122 H ILE 122 3.014 8.584 -4.312 913 HA ILE 122 HA ILE 122 5.158 8.683 -6.271 914 HB ILE 122 HB ILE 122 5.531 8.395 -3.311 915 HG12 ILE 122 HG12 ILE 122 5.545 10.646 -4.519 916 HG13 ILE 122 HG13 ILE 122 6.883 10.272 -3.445 917 HG21 ILE 122 HG21 ILE 122 6.796 6.610 -4.265 918 HG22 ILE 122 HG22 ILE 122 7.900 7.896 -3.763 919 HG23 ILE 122 HG23 ILE 122 7.493 7.695 -5.469 920 HD11 ILE 122 HD11 ILE 122 7.284 9.509 -6.247 921 HD12 ILE 122 HD12 ILE 122 8.400 10.282 -5.096 922 HD13 ILE 122 HD13 ILE 122 7.175 11.245 -5.930 923 H ILE 123 H ILE 123 5.943 6.738 -6.882 924 HA ILE 123 HA ILE 123 4.540 4.335 -5.902 925 HB ILE 123 HB ILE 123 5.635 4.972 -8.645 926 HG12 ILE 123 HG12 ILE 123 2.848 4.181 -7.807 927 HG13 ILE 123 HG13 ILE 123 3.387 5.854 -7.873 928 HG21 ILE 123 HG21 ILE 123 4.451 2.361 -7.707 929 HG22 ILE 123 HG22 ILE 123 6.167 2.636 -8.026 930 HG23 ILE 123 HG23 ILE 123 4.990 2.741 -9.344 931 HD11 ILE 123 HD11 ILE 123 3.928 5.467 -10.295 932 HD12 ILE 123 HD12 ILE 123 2.217 5.440 -9.866 933 HD13 ILE 123 HD13 ILE 123 3.082 3.925 -10.150 934 H HIS 124 H HIS 124 5.813 2.414 -5.679 935 HA HIS 124 HA HIS 124 8.680 2.746 -5.891 936 HB2 HIS 124 HB2 HIS 124 8.981 3.334 -3.841 937 HB3 HIS 124 HB3 HIS 124 7.257 3.127 -3.467 938 HD1 HIS 124 HD1 HIS 124 7.412 2.324 -1.209 939 HD2 HIS 124 HD2 HIS 124 9.845 0.176 -3.792 940 HE1 HIS 124 HE1 HIS 124 8.434 0.505 0.186 941 HE2 HIS 124 HE2 HIS 124 9.752 -0.872 -1.439 942 H VAL 125 H VAL 125 9.383 1.138 -6.797 943 HA VAL 125 HA VAL 125 7.851 -1.291 -7.059 944 HB VAL 125 HB VAL 125 10.551 -0.629 -8.251 945 HG11 VAL 125 HG11 VAL 125 8.519 -2.728 -9.007 946 HG12 VAL 125 HG12 VAL 125 10.069 -3.020 -8.220 947 HG13 VAL 125 HG13 VAL 125 10.021 -2.389 -9.865 948 HG21 VAL 125 HG21 VAL 125 7.788 -0.296 -9.416 949 HG22 VAL 125 HG22 VAL 125 9.301 -0.075 -10.293 950 HG23 VAL 125 HG23 VAL 125 8.894 0.998 -8.955 951 H ILE 126 H ILE 126 8.164 -3.129 -6.022 952 HA ILE 126 HA ILE 126 10.723 -3.551 -4.614 953 HB ILE 126 HB ILE 126 9.613 -4.681 -2.830 954 HG12 ILE 126 HG12 ILE 126 7.588 -5.147 -4.629 955 HG13 ILE 126 HG13 ILE 126 7.537 -5.527 -2.914 956 HG21 ILE 126 HG21 ILE 126 8.326 -2.030 -3.425 957 HG22 ILE 126 HG22 ILE 126 9.827 -2.327 -2.536 958 HG23 ILE 126 HG23 ILE 126 8.282 -2.840 -1.856 959 HD11 ILE 126 HD11 ILE 126 5.541 -4.325 -3.655 960 HD12 ILE 126 HD12 ILE 126 6.554 -2.962 -4.145 961 HD13 ILE 126 HD13 ILE 126 6.454 -3.424 -2.440 962 H ASP 127 H ASP 127 11.096 -5.808 -4.139 963 HA ASP 127 HA ASP 127 10.490 -7.358 -6.540 964 HB2 ASP 127 HB2 ASP 127 12.845 -6.656 -6.139 965 HB3 ASP 127 HB3 ASP 127 12.854 -7.626 -4.683 966 H THR 128 H THR 128 9.130 -7.101 -3.840 967 HA THR 128 HA THR 128 8.379 -9.818 -3.579 968 HB THR 128 HB THR 128 10.133 -8.595 -1.462 969 HG1 THR 128 HG1 THR 128 10.670 -10.241 -3.356 970 HG21 THR 128 HG21 THR 128 9.538 -10.559 -0.041 971 HG22 THR 128 HG22 THR 128 8.210 -10.892 -1.154 972 HG23 THR 128 HG23 THR 128 8.242 -9.379 -0.244 973 H VAL 129 H VAL 129 6.291 -9.853 -2.902 974 HA VAL 129 HA VAL 129 4.999 -7.442 -2.129 975 HB VAL 129 HB VAL 129 4.040 -10.308 -2.286 976 HG11 VAL 129 HG11 VAL 129 2.441 -7.832 -1.677 977 HG12 VAL 129 HG12 VAL 129 2.808 -9.132 -0.545 978 HG13 VAL 129 HG13 VAL 129 1.789 -9.447 -1.948 979 HG21 VAL 129 HG21 VAL 129 4.504 -9.228 -4.429 980 HG22 VAL 129 HG22 VAL 129 3.480 -7.867 -3.975 981 HG23 VAL 129 HG23 VAL 129 2.768 -9.462 -4.216 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -16.601 14.496 -5.504 2 H2 MET 1 H2 MET 1 -17.667 15.271 -4.447 3 H3 MET 1 H3 MET 1 -17.599 15.740 -6.066 4 HA MET 1 HA MET 1 -19.555 14.423 -5.638 5 HB2 MET 1 HB2 MET 1 -17.442 13.089 -7.331 6 HB3 MET 1 HB3 MET 1 -19.135 12.618 -7.339 7 HG2 MET 1 HG2 MET 1 -18.050 15.319 -8.099 8 HG3 MET 1 HG3 MET 1 -18.599 14.068 -9.212 9 HE1 MET 1 HE1 MET 1 -20.192 15.868 -10.374 10 HE2 MET 1 HE2 MET 1 -19.635 17.091 -9.233 11 HE3 MET 1 HE3 MET 1 -21.363 16.845 -9.487 12 H ALA 2 H ALA 2 -16.889 12.071 -5.683 13 HA ALA 2 HA ALA 2 -17.360 11.111 -3.061 14 HB1 ALA 2 HB1 ALA 2 -19.406 10.221 -4.106 15 HB2 ALA 2 HB2 ALA 2 -18.326 8.935 -3.566 16 HB3 ALA 2 HB3 ALA 2 -18.415 9.352 -5.277 17 H THR 3 H THR 3 -15.421 10.480 -2.481 18 HA THR 3 HA THR 3 -13.333 9.696 -4.194 19 HB THR 3 HB THR 3 -13.732 9.058 -1.255 20 HG1 THR 3 HG1 THR 3 -13.123 11.065 -0.870 21 HG21 THR 3 HG21 THR 3 -11.135 9.331 -2.767 22 HG22 THR 3 HG22 THR 3 -11.911 7.783 -2.435 23 HG23 THR 3 HG23 THR 3 -11.366 8.798 -1.099 24 H ILE 4 H ILE 4 -12.479 7.612 -4.612 25 HA ILE 4 HA ILE 4 -14.319 5.685 -5.359 26 HB ILE 4 HB ILE 4 -12.278 4.113 -5.450 27 HG12 ILE 4 HG12 ILE 4 -10.112 5.475 -5.576 28 HG13 ILE 4 HG13 ILE 4 -10.963 6.719 -4.675 29 HG21 ILE 4 HG21 ILE 4 -12.325 6.696 -6.996 30 HG22 ILE 4 HG22 ILE 4 -13.230 5.231 -7.374 31 HG23 ILE 4 HG23 ILE 4 -11.470 5.231 -7.474 32 HD11 ILE 4 HD11 ILE 4 -11.263 5.206 -2.815 33 HD12 ILE 4 HD12 ILE 4 -9.557 5.327 -3.250 34 HD13 ILE 4 HD13 ILE 4 -10.490 3.907 -3.724 35 H VAL 5 H VAL 5 -12.944 6.161 -2.264 36 HA VAL 5 HA VAL 5 -13.703 3.526 -1.315 37 HB VAL 5 HB VAL 5 -11.648 4.300 -0.414 38 HG11 VAL 5 HG11 VAL 5 -11.763 6.646 -0.825 39 HG12 VAL 5 HG12 VAL 5 -11.495 6.412 0.904 40 HG13 VAL 5 HG13 VAL 5 -13.104 6.825 0.307 41 HG21 VAL 5 HG21 VAL 5 -12.986 3.130 1.160 42 HG22 VAL 5 HG22 VAL 5 -13.858 4.610 1.559 43 HG23 VAL 5 HG23 VAL 5 -12.156 4.445 1.996 44 H ASP 6 H ASP 6 -14.631 6.877 -1.011 45 HA ASP 6 HA ASP 6 -16.485 6.883 1.012 46 HB2 ASP 6 HB2 ASP 6 -15.748 8.848 -0.351 47 HB3 ASP 6 HB3 ASP 6 -16.793 8.294 -1.642 48 H ILE 7 H ILE 7 -16.985 6.171 -2.380 49 HA ILE 7 HA ILE 7 -19.710 5.658 -2.302 50 HB ILE 7 HB ILE 7 -17.811 4.251 -4.171 51 HG12 ILE 7 HG12 ILE 7 -19.080 6.891 -4.790 52 HG13 ILE 7 HG13 ILE 7 -17.608 6.866 -3.823 53 HG21 ILE 7 HG21 ILE 7 -19.723 4.390 -5.713 54 HG22 ILE 7 HG22 ILE 7 -20.668 5.205 -4.465 55 HG23 ILE 7 HG23 ILE 7 -20.165 3.530 -4.235 56 HD11 ILE 7 HD11 ILE 7 -17.887 5.641 -6.555 57 HD12 ILE 7 HD12 ILE 7 -16.414 5.745 -5.585 58 HD13 ILE 7 HD13 ILE 7 -17.169 7.214 -6.207 59 H ALA 8 H ALA 8 -17.101 3.683 -1.152 60 HA ALA 8 HA ALA 8 -18.231 1.131 -1.483 61 HB1 ALA 8 HB1 ALA 8 -15.891 1.434 -0.914 62 HB2 ALA 8 HB2 ALA 8 -16.687 0.401 0.274 63 HB3 ALA 8 HB3 ALA 8 -16.341 2.087 0.661 64 H VAL 9 H VAL 9 -18.607 3.523 1.094 65 HA VAL 9 HA VAL 9 -20.450 1.881 2.584 66 HB VAL 9 HB VAL 9 -20.025 4.873 2.765 67 HG11 VAL 9 HG11 VAL 9 -22.101 4.129 3.807 68 HG12 VAL 9 HG12 VAL 9 -20.935 4.642 5.026 69 HG13 VAL 9 HG13 VAL 9 -21.214 2.925 4.740 70 HG21 VAL 9 HG21 VAL 9 -18.700 2.648 4.310 71 HG22 VAL 9 HG22 VAL 9 -18.520 4.372 4.636 72 HG23 VAL 9 HG23 VAL 9 -17.928 3.694 3.120 73 H ASN 10 H ASN 10 -20.606 4.090 -0.048 74 HA ASN 10 HA ASN 10 -23.383 4.797 0.180 75 HB2 ASN 10 HB2 ASN 10 -21.705 6.272 -0.885 76 HB3 ASN 10 HB3 ASN 10 -21.439 5.062 -2.120 77 HD21 ASN 10 HD21 ASN 10 -21.911 6.567 -3.672 78 HD22 ASN 10 HD22 ASN 10 -23.529 7.041 -4.022 79 H THR 11 H THR 11 -21.594 2.216 -1.255 80 HA THR 11 HA THR 11 -23.278 1.654 -3.425 81 HB THR 11 HB THR 11 -22.193 -0.644 -3.314 82 HG1 THR 11 HG1 THR 11 -21.455 0.260 -0.944 83 HG21 THR 11 HG21 THR 11 -21.519 1.263 -4.751 84 HG22 THR 11 HG22 THR 11 -20.179 0.202 -4.303 85 HG23 THR 11 HG23 THR 11 -20.384 1.754 -3.490 86 HA PRO 12 HA PRO 12 -26.591 -0.446 -1.453 87 HB2 PRO 12 HB2 PRO 12 -27.955 -1.136 -3.594 88 HB3 PRO 12 HB3 PRO 12 -27.666 0.576 -3.270 89 HG2 PRO 12 HG2 PRO 12 -26.133 -1.288 -5.031 90 HG3 PRO 12 HG3 PRO 12 -26.813 0.290 -5.460 91 HD2 PRO 12 HD2 PRO 12 -24.244 -0.034 -4.751 92 HD3 PRO 12 HD3 PRO 12 -25.150 1.428 -4.355 93 H GLY 13 H GLY 13 -24.518 -1.993 -1.019 94 HA2 GLY 13 HA2 GLY 13 -24.102 -4.227 -0.564 95 HA3 GLY 13 HA3 GLY 13 -25.537 -4.649 -1.487 96 H PHE 14 H PHE 14 -22.673 -2.823 -2.457 97 HA PHE 14 HA PHE 14 -22.478 -4.122 -4.952 98 HB2 PHE 14 HB2 PHE 14 -21.032 -2.048 -3.539 99 HB3 PHE 14 HB3 PHE 14 -19.945 -3.082 -4.464 100 HD1 PHE 14 HD1 PHE 14 -23.416 -1.895 -5.141 101 HD2 PHE 14 HD2 PHE 14 -19.344 -1.942 -6.372 102 HE1 PHE 14 HE1 PHE 14 -24.028 -0.680 -7.190 103 HE2 PHE 14 HE2 PHE 14 -19.947 -0.727 -8.425 104 HZ PHE 14 HZ PHE 14 -22.293 -0.096 -8.836 105 H SER 15 H SER 15 -20.171 -4.849 -5.624 106 HA SER 15 HA SER 15 -19.684 -7.418 -4.745 107 HB2 SER 15 HB2 SER 15 -17.661 -5.528 -5.963 108 HB3 SER 15 HB3 SER 15 -17.675 -7.289 -6.077 109 HG SER 15 HG SER 15 -19.820 -6.957 -7.116 110 H THR 16 H THR 16 -17.827 -8.293 -3.663 111 HA THR 16 HA THR 16 -17.456 -7.281 -1.100 112 HB THR 16 HB THR 16 -15.501 -9.148 -2.433 113 HG1 THR 16 HG1 THR 16 -17.083 -10.517 -2.719 114 HG21 THR 16 HG21 THR 16 -14.968 -8.511 -0.149 115 HG22 THR 16 HG22 THR 16 -15.490 -10.195 -0.191 116 HG23 THR 16 HG23 THR 16 -16.594 -8.944 0.376 117 H LEU 17 H LEU 17 -15.865 -6.459 -4.014 118 HA LEU 17 HA LEU 17 -13.405 -5.533 -3.166 119 HB2 LEU 17 HB2 LEU 17 -15.297 -4.469 -5.252 120 HB3 LEU 17 HB3 LEU 17 -13.717 -3.762 -4.983 121 HG LEU 17 HG LEU 17 -12.719 -6.023 -5.488 122 HD11 LEU 17 HD11 LEU 17 -14.678 -7.406 -5.091 123 HD12 LEU 17 HD12 LEU 17 -14.094 -7.611 -6.742 124 HD13 LEU 17 HD13 LEU 17 -15.520 -6.622 -6.427 125 HD21 LEU 17 HD21 LEU 17 -12.723 -4.227 -7.118 126 HD22 LEU 17 HD22 LEU 17 -14.341 -4.686 -7.647 127 HD23 LEU 17 HD23 LEU 17 -12.983 -5.780 -7.911 128 H VAL 18 H VAL 18 -16.608 -4.059 -2.747 129 HA VAL 18 HA VAL 18 -15.425 -1.622 -1.652 130 HB VAL 18 HB VAL 18 -17.585 -0.734 -1.465 131 HG11 VAL 18 HG11 VAL 18 -16.924 -0.946 -3.764 132 HG12 VAL 18 HG12 VAL 18 -18.665 -1.190 -3.632 133 HG13 VAL 18 HG13 VAL 18 -17.594 -2.577 -3.842 134 HG21 VAL 18 HG21 VAL 18 -19.664 -2.032 -1.575 135 HG22 VAL 18 HG22 VAL 18 -18.653 -2.540 -0.213 136 HG23 VAL 18 HG23 VAL 18 -18.724 -3.521 -1.684 137 H THR 19 H THR 19 -16.729 -4.624 -0.595 138 HA THR 19 HA THR 19 -17.230 -3.741 2.078 139 HB THR 19 HB THR 19 -17.095 -6.631 1.489 140 HG1 THR 19 HG1 THR 19 -19.318 -6.234 0.503 141 HG21 THR 19 HG21 THR 19 -17.918 -5.819 3.627 142 HG22 THR 19 HG22 THR 19 -19.251 -6.542 2.724 143 HG23 THR 19 HG23 THR 19 -19.088 -4.784 2.810 144 H ALA 20 H ALA 20 -14.643 -5.346 0.386 145 HA ALA 20 HA ALA 20 -13.300 -6.438 2.603 146 HB1 ALA 20 HB1 ALA 20 -12.042 -5.541 0.043 147 HB2 ALA 20 HB2 ALA 20 -12.963 -7.034 0.216 148 HB3 ALA 20 HB3 ALA 20 -11.484 -6.799 1.148 149 H VAL 21 H VAL 21 -13.117 -3.214 1.150 150 HA VAL 21 HA VAL 21 -11.113 -2.348 3.049 151 HB VAL 21 HB VAL 21 -11.023 -1.036 1.121 152 HG11 VAL 21 HG11 VAL 21 -14.031 -0.743 1.234 153 HG12 VAL 21 HG12 VAL 21 -13.129 -1.730 0.086 154 HG13 VAL 21 HG13 VAL 21 -12.976 0.026 0.052 155 HG21 VAL 21 HG21 VAL 21 -10.950 0.366 3.088 156 HG22 VAL 21 HG22 VAL 21 -12.714 0.477 3.103 157 HG23 VAL 21 HG23 VAL 21 -11.793 1.218 1.789 158 H LYS 22 H LYS 22 -14.592 -2.256 2.749 159 HA LYS 22 HA LYS 22 -15.212 -0.551 4.862 160 HB2 LYS 22 HB2 LYS 22 -16.565 -2.385 3.091 161 HB3 LYS 22 HB3 LYS 22 -17.314 -2.408 4.653 162 HG2 LYS 22 HG2 LYS 22 -17.340 0.139 4.420 163 HG3 LYS 22 HG3 LYS 22 -17.031 -0.202 2.725 164 HD2 LYS 22 HD2 LYS 22 -19.360 -1.213 4.301 165 HD3 LYS 22 HD3 LYS 22 -19.386 0.030 3.042 166 HE2 LYS 22 HE2 LYS 22 -18.199 -1.785 1.662 167 HE3 LYS 22 HE3 LYS 22 -18.881 -2.863 2.805 168 HZ1 LYS 22 HZ1 LYS 22 -20.334 -2.636 0.895 169 HZ2 LYS 22 HZ2 LYS 22 -20.435 -0.965 1.155 170 HZ3 LYS 22 HZ3 LYS 22 -21.088 -2.040 2.286 171 H VAL 23 H VAL 23 -14.696 -4.019 4.751 172 HA VAL 23 HA VAL 23 -15.337 -4.456 7.521 173 HB VAL 23 HB VAL 23 -15.630 -6.255 5.894 174 HG11 VAL 23 HG11 VAL 23 -13.740 -7.376 4.867 175 HG12 VAL 23 HG12 VAL 23 -12.627 -6.231 5.619 176 HG13 VAL 23 HG13 VAL 23 -13.777 -5.671 4.398 177 HG21 VAL 23 HG21 VAL 23 -13.456 -6.872 7.880 178 HG22 VAL 23 HG22 VAL 23 -14.576 -8.035 7.164 179 HG23 VAL 23 HG23 VAL 23 -15.178 -6.777 8.246 180 H ALA 24 H ALA 24 -12.467 -3.933 5.615 181 HA ALA 24 HA ALA 24 -10.589 -4.581 7.652 182 HB1 ALA 24 HB1 ALA 24 -10.099 -4.654 5.237 183 HB2 ALA 24 HB2 ALA 24 -8.933 -3.718 6.175 184 HB3 ALA 24 HB3 ALA 24 -10.159 -2.892 5.216 185 H ASN 25 H ASN 25 -12.657 -2.036 7.249 186 HA ASN 25 HA ASN 25 -13.045 -0.154 8.331 187 HB2 ASN 25 HB2 ASN 25 -12.283 0.101 10.460 188 HB3 ASN 25 HB3 ASN 25 -11.975 -1.594 10.186 189 HD21 ASN 25 HD21 ASN 25 -10.049 1.330 9.415 190 HD22 ASN 25 HD22 ASN 25 -8.654 0.796 10.286 191 H LEU 26 H LEU 26 -10.901 -0.484 6.120 192 HA LEU 26 HA LEU 26 -9.481 2.018 6.443 193 HB2 LEU 26 HB2 LEU 26 -9.312 -0.243 4.554 194 HB3 LEU 26 HB3 LEU 26 -8.838 1.339 3.952 195 HG LEU 26 HG LEU 26 -7.293 1.521 5.943 196 HD11 LEU 26 HD11 LEU 26 -7.920 -1.410 6.152 197 HD12 LEU 26 HD12 LEU 26 -8.268 -0.167 7.354 198 HD13 LEU 26 HD13 LEU 26 -6.597 -0.585 6.975 199 HD21 LEU 26 HD21 LEU 26 -5.592 0.038 4.918 200 HD22 LEU 26 HD22 LEU 26 -6.415 1.097 3.774 201 HD23 LEU 26 HD23 LEU 26 -6.860 -0.612 3.870 202 H VAL 27 H VAL 27 -12.504 1.411 5.727 203 HA VAL 27 HA VAL 27 -13.075 2.819 3.395 204 HB VAL 27 HB VAL 27 -14.534 1.773 5.594 205 HG11 VAL 27 HG11 VAL 27 -14.846 4.043 6.399 206 HG12 VAL 27 HG12 VAL 27 -16.367 3.374 5.796 207 HG13 VAL 27 HG13 VAL 27 -15.463 4.528 4.815 208 HG21 VAL 27 HG21 VAL 27 -15.325 2.742 2.854 209 HG22 VAL 27 HG22 VAL 27 -16.400 1.852 3.927 210 HG23 VAL 27 HG23 VAL 27 -14.921 1.088 3.338 211 H GLU 28 H GLU 28 -12.457 3.925 6.652 212 HA GLU 28 HA GLU 28 -12.788 6.702 5.927 213 HB2 GLU 28 HB2 GLU 28 -11.812 7.032 8.281 214 HB3 GLU 28 HB3 GLU 28 -13.400 6.301 8.115 215 HG2 GLU 28 HG2 GLU 28 -12.554 4.135 8.538 216 HG3 GLU 28 HG3 GLU 28 -10.884 4.693 8.408 217 H ALA 29 H ALA 29 -10.228 4.423 5.905 218 HA ALA 29 HA ALA 29 -8.087 6.250 6.281 219 HB1 ALA 29 HB1 ALA 29 -6.633 4.392 5.726 220 HB2 ALA 29 HB2 ALA 29 -8.018 3.461 5.157 221 HB3 ALA 29 HB3 ALA 29 -7.880 3.882 6.865 222 H LEU 30 H LEU 30 -9.267 4.449 3.457 223 HA LEU 30 HA LEU 30 -7.503 5.508 1.567 224 HB2 LEU 30 HB2 LEU 30 -10.302 4.665 0.957 225 HB3 LEU 30 HB3 LEU 30 -8.907 4.603 -0.095 226 HG LEU 30 HG LEU 30 -9.453 2.868 2.298 227 HD11 LEU 30 HD11 LEU 30 -9.209 2.253 -0.631 228 HD12 LEU 30 HD12 LEU 30 -10.717 2.373 0.277 229 HD13 LEU 30 HD13 LEU 30 -9.559 1.096 0.655 230 HD21 LEU 30 HD21 LEU 30 -7.028 2.965 0.513 231 HD22 LEU 30 HD22 LEU 30 -7.406 1.653 1.631 232 HD23 LEU 30 HD23 LEU 30 -7.091 3.275 2.249 233 H GLN 31 H GLN 31 -9.799 7.145 3.221 234 HA GLN 31 HA GLN 31 -11.052 8.730 1.209 235 HB2 GLN 31 HB2 GLN 31 -10.859 9.180 4.179 236 HB3 GLN 31 HB3 GLN 31 -11.948 10.011 3.077 237 HG2 GLN 31 HG2 GLN 31 -11.999 7.057 3.188 238 HG3 GLN 31 HG3 GLN 31 -12.741 7.979 4.483 239 HE21 GLN 31 HE21 GLN 31 -13.719 6.245 2.262 240 HE22 GLN 31 HE22 GLN 31 -15.011 7.173 1.596 241 H SER 32 H SER 32 -7.959 8.763 1.966 242 HA SER 32 HA SER 32 -7.647 11.666 2.020 243 HB2 SER 32 HB2 SER 32 -5.541 9.492 1.972 244 HB3 SER 32 HB3 SER 32 -5.252 11.210 2.243 245 HG SER 32 HG SER 32 -7.032 9.759 3.894 246 HA PRO 33 HA PRO 33 -7.756 11.054 -2.470 247 HB2 PRO 33 HB2 PRO 33 -8.719 13.500 -3.056 248 HB3 PRO 33 HB3 PRO 33 -9.747 12.173 -2.507 249 HG2 PRO 33 HG2 PRO 33 -8.805 14.578 -1.068 250 HG3 PRO 33 HG3 PRO 33 -10.280 13.633 -0.830 251 HD2 PRO 33 HD2 PRO 33 -7.959 13.525 0.736 252 HD3 PRO 33 HD3 PRO 33 -9.303 12.371 0.765 253 H GLY 34 H GLY 34 -5.964 13.210 -0.606 254 HA2 GLY 34 HA2 GLY 34 -4.706 14.780 -2.586 255 HA3 GLY 34 HA3 GLY 34 -4.076 14.461 -0.980 256 HA PRO 35 HA PRO 35 -1.077 12.394 -3.530 257 HB2 PRO 35 HB2 PRO 35 0.837 12.082 -1.643 258 HB3 PRO 35 HB3 PRO 35 0.566 13.581 -2.531 259 HG2 PRO 35 HG2 PRO 35 -0.056 12.908 0.254 260 HG3 PRO 35 HG3 PRO 35 0.207 14.489 -0.484 261 HD2 PRO 35 HD2 PRO 35 -2.279 13.329 0.199 262 HD3 PRO 35 HD3 PRO 35 -2.003 14.811 -0.727 263 H PHE 36 H PHE 36 -0.050 10.353 -3.652 264 HA PHE 36 HA PHE 36 -1.268 8.285 -1.997 265 HB2 PHE 36 HB2 PHE 36 -2.929 8.136 -3.496 266 HB3 PHE 36 HB3 PHE 36 -2.103 9.162 -4.645 267 HD1 PHE 36 HD1 PHE 36 -0.150 7.814 -5.983 268 HD2 PHE 36 HD2 PHE 36 -3.610 6.110 -4.187 269 HE1 PHE 36 HE1 PHE 36 -0.036 5.925 -7.555 270 HE2 PHE 36 HE2 PHE 36 -3.508 4.231 -5.766 271 HZ PHE 36 HZ PHE 36 -1.720 4.135 -7.452 272 H THR 37 H THR 37 0.152 6.788 -1.519 273 HA THR 37 HA THR 37 2.589 6.580 -3.154 274 HB THR 37 HB THR 37 2.275 6.508 -0.138 275 HG1 THR 37 HG1 THR 37 2.950 8.504 -0.295 276 HG21 THR 37 HG21 THR 37 4.693 6.143 -0.046 277 HG22 THR 37 HG22 THR 37 4.750 6.002 -1.804 278 HG23 THR 37 HG23 THR 37 3.880 4.800 -0.849 279 H VAL 38 H VAL 38 3.072 4.608 -3.897 280 HA VAL 38 HA VAL 38 1.601 2.328 -2.725 281 HB VAL 38 HB VAL 38 2.151 2.845 -5.649 282 HG11 VAL 38 HG11 VAL 38 0.903 0.780 -6.085 283 HG12 VAL 38 HG12 VAL 38 0.811 0.474 -4.350 284 HG13 VAL 38 HG13 VAL 38 2.375 0.466 -5.164 285 HG21 VAL 38 HG21 VAL 38 -0.428 2.694 -4.104 286 HG22 VAL 38 HG22 VAL 38 -0.285 2.901 -5.850 287 HG23 VAL 38 HG23 VAL 38 0.310 4.155 -4.760 288 H PHE 39 H PHE 39 2.678 0.481 -2.369 289 HA PHE 39 HA PHE 39 5.476 0.285 -3.231 290 HB2 PHE 39 HB2 PHE 39 3.927 -1.506 -1.334 291 HB3 PHE 39 HB3 PHE 39 5.651 -1.587 -1.663 292 HD1 PHE 39 HD1 PHE 39 7.173 0.104 -0.792 293 HD2 PHE 39 HD2 PHE 39 3.020 0.163 0.137 294 HE1 PHE 39 HE1 PHE 39 7.612 1.664 1.059 295 HE2 PHE 39 HE2 PHE 39 3.452 1.723 1.989 296 HZ PHE 39 HZ PHE 39 5.752 2.474 2.451 297 H ALA 40 H ALA 40 5.834 -0.777 -5.082 298 HA ALA 40 HA ALA 40 3.662 -2.486 -6.103 299 HB1 ALA 40 HB1 ALA 40 5.831 -1.057 -7.634 300 HB2 ALA 40 HB2 ALA 40 4.169 -0.498 -7.446 301 HB3 ALA 40 HB3 ALA 40 4.504 -1.987 -8.330 302 HA PRO 41 HA PRO 41 6.646 -5.801 -5.564 303 HB2 PRO 41 HB2 PRO 41 4.998 -7.804 -6.355 304 HB3 PRO 41 HB3 PRO 41 4.933 -7.093 -4.736 305 HG2 PRO 41 HG2 PRO 41 3.180 -6.584 -7.105 306 HG3 PRO 41 HG3 PRO 41 2.740 -6.726 -5.393 307 HD2 PRO 41 HD2 PRO 41 2.992 -4.338 -6.685 308 HD3 PRO 41 HD3 PRO 41 3.283 -4.541 -4.946 309 H ASN 42 H ASN 42 8.162 -6.221 -7.000 310 HA ASN 42 HA ASN 42 7.689 -5.856 -9.812 311 HB2 ASN 42 HB2 ASN 42 9.899 -5.382 -9.837 312 HB3 ASN 42 HB3 ASN 42 9.878 -5.590 -8.108 313 HD21 ASN 42 HD21 ASN 42 11.074 -7.108 -7.256 314 HD22 ASN 42 HD22 ASN 42 11.972 -8.297 -8.126 315 H ASP 43 H ASP 43 8.761 -7.577 -11.320 316 HA ASP 43 HA ASP 43 7.224 -9.803 -11.568 317 HB2 ASP 43 HB2 ASP 43 9.261 -8.813 -12.959 318 HB3 ASP 43 HB3 ASP 43 10.106 -10.136 -12.192 319 H ASP 44 H ASP 44 10.238 -9.540 -9.807 320 HA ASP 44 HA ASP 44 10.462 -12.361 -9.290 321 HB2 ASP 44 HB2 ASP 44 12.409 -10.751 -9.447 322 HB3 ASP 44 HB3 ASP 44 11.930 -10.163 -7.864 323 H ALA 45 H ALA 45 8.911 -9.727 -7.864 324 HA ALA 45 HA ALA 45 8.657 -10.808 -5.212 325 HB1 ALA 45 HB1 ALA 45 7.405 -8.513 -6.684 326 HB2 ALA 45 HB2 ALA 45 8.651 -8.454 -5.435 327 HB3 ALA 45 HB3 ALA 45 7.001 -8.918 -5.012 328 H PHE 46 H PHE 46 6.703 -10.507 -8.128 329 HA PHE 46 HA PHE 46 4.415 -11.892 -7.247 330 HB2 PHE 46 HB2 PHE 46 4.760 -10.589 -9.408 331 HB3 PHE 46 HB3 PHE 46 5.594 -12.004 -10.024 332 HD1 PHE 46 HD1 PHE 46 2.353 -10.636 -9.017 333 HD2 PHE 46 HD2 PHE 46 4.403 -14.010 -10.599 334 HE1 PHE 46 HE1 PHE 46 0.202 -11.618 -9.700 335 HE2 PHE 46 HE2 PHE 46 2.260 -14.998 -11.284 336 HZ PHE 46 HZ PHE 46 0.156 -13.801 -10.835 337 H ALA 47 H ALA 47 7.561 -12.831 -8.119 338 HA ALA 47 HA ALA 47 7.015 -15.632 -8.516 339 HB1 ALA 47 HB1 ALA 47 9.450 -15.845 -8.708 340 HB2 ALA 47 HB2 ALA 47 9.623 -14.144 -8.264 341 HB3 ALA 47 HB3 ALA 47 8.803 -14.588 -9.762 342 H LYS 48 H LYS 48 7.872 -13.515 -5.924 343 HA LYS 48 HA LYS 48 8.730 -15.355 -3.975 344 HB2 LYS 48 HB2 LYS 48 7.041 -12.898 -3.591 345 HB3 LYS 48 HB3 LYS 48 7.889 -13.799 -2.349 346 HG2 LYS 48 HG2 LYS 48 9.334 -12.613 -4.638 347 HG3 LYS 48 HG3 LYS 48 8.946 -11.686 -3.185 348 HD2 LYS 48 HD2 LYS 48 10.239 -14.355 -2.961 349 HD3 LYS 48 HD3 LYS 48 11.220 -12.925 -3.316 350 HE2 LYS 48 HE2 LYS 48 10.321 -11.866 -1.271 351 HE3 LYS 48 HE3 LYS 48 9.434 -13.349 -0.922 352 HZ1 LYS 48 HZ1 LYS 48 11.519 -13.218 0.309 353 HZ2 LYS 48 HZ2 LYS 48 12.386 -13.131 -1.138 354 HZ3 LYS 48 HZ3 LYS 48 11.520 -14.531 -0.755 355 H LEU 49 H LEU 49 5.613 -14.238 -5.032 356 HA LEU 49 HA LEU 49 3.978 -14.681 -3.015 357 HB2 LEU 49 HB2 LEU 49 3.384 -15.461 -5.831 358 HB3 LEU 49 HB3 LEU 49 2.222 -15.346 -4.521 359 HG LEU 49 HG LEU 49 3.911 -13.040 -5.445 360 HD11 LEU 49 HD11 LEU 49 1.867 -12.171 -6.430 361 HD12 LEU 49 HD12 LEU 49 1.031 -13.671 -6.024 362 HD13 LEU 49 HD13 LEU 49 2.353 -13.686 -7.192 363 HD21 LEU 49 HD21 LEU 49 1.634 -13.329 -3.511 364 HD22 LEU 49 HD22 LEU 49 2.204 -11.779 -4.124 365 HD23 LEU 49 HD23 LEU 49 3.284 -12.804 -3.174 366 HA PRO 50 HA PRO 50 4.427 -19.029 -2.074 367 HB2 PRO 50 HB2 PRO 50 4.105 -18.614 0.567 368 HB3 PRO 50 HB3 PRO 50 5.627 -18.245 -0.246 369 HG2 PRO 50 HG2 PRO 50 3.477 -16.407 0.676 370 HG3 PRO 50 HG3 PRO 50 5.230 -16.156 0.631 371 HD2 PRO 50 HD2 PRO 50 3.371 -15.213 -1.262 372 HD3 PRO 50 HD3 PRO 50 5.141 -15.292 -1.484 373 H ASP 51 H ASP 51 2.771 -19.537 0.353 374 HA ASP 51 HA ASP 51 0.250 -20.074 -0.697 375 HB2 ASP 51 HB2 ASP 51 1.069 -19.535 2.164 376 HB3 ASP 51 HB3 ASP 51 -0.521 -20.124 1.699 377 H GLY 52 H GLY 52 1.534 -17.202 0.847 378 HA2 GLY 52 HA2 GLY 52 0.442 -15.301 -0.593 379 HA3 GLY 52 HA3 GLY 52 -0.963 -15.781 0.345 380 H THR 53 H THR 53 1.920 -13.919 0.290 381 HA THR 53 HA THR 53 2.311 -13.370 3.000 382 HB THR 53 HB THR 53 2.364 -11.400 0.716 383 HG1 THR 53 HG1 THR 53 4.688 -11.935 0.781 384 HG21 THR 53 HG21 THR 53 2.433 -10.253 2.824 385 HG22 THR 53 HG22 THR 53 4.057 -10.236 2.131 386 HG23 THR 53 HG23 THR 53 3.667 -11.358 3.434 387 H ILE 54 H ILE 54 0.244 -11.774 0.624 388 HA ILE 54 HA ILE 54 -0.962 -10.001 2.429 389 HB ILE 54 HB ILE 54 -1.395 -10.785 -0.379 390 HG12 ILE 54 HG12 ILE 54 -1.429 -8.287 -0.602 391 HG13 ILE 54 HG13 ILE 54 -1.240 -8.180 1.144 392 HG21 ILE 54 HG21 ILE 54 -3.559 -9.336 1.139 393 HG22 ILE 54 HG22 ILE 54 -3.675 -10.984 0.523 394 HG23 ILE 54 HG23 ILE 54 -3.511 -9.634 -0.600 395 HD11 ILE 54 HD11 ILE 54 0.867 -7.827 0.087 396 HD12 ILE 54 HD12 ILE 54 0.727 -9.350 -0.795 397 HD13 ILE 54 HD13 ILE 54 0.903 -9.359 0.962 398 H THR 55 H THR 55 -1.623 -13.292 1.595 399 HA THR 55 HA THR 55 -4.212 -13.477 2.683 400 HB THR 55 HB THR 55 -2.120 -15.616 2.514 401 HG1 THR 55 HG1 THR 55 -4.191 -15.715 0.732 402 HG21 THR 55 HG21 THR 55 -3.982 -16.065 4.106 403 HG22 THR 55 HG22 THR 55 -3.928 -17.192 2.745 404 HG23 THR 55 HG23 THR 55 -5.113 -15.884 2.760 405 H SER 56 H SER 56 -1.006 -13.701 4.101 406 HA SER 56 HA SER 56 -2.013 -14.409 6.684 407 HB2 SER 56 HB2 SER 56 0.235 -15.129 5.999 408 HB3 SER 56 HB3 SER 56 0.723 -13.446 5.812 409 HG SER 56 HG SER 56 -0.192 -14.552 8.259 410 H LEU 57 H LEU 57 -1.297 -11.612 4.901 411 HA LEU 57 HA LEU 57 -1.257 -9.766 7.069 412 HB2 LEU 57 HB2 LEU 57 -1.152 -9.635 4.166 413 HB3 LEU 57 HB3 LEU 57 -1.741 -8.199 4.966 414 HG LEU 57 HG LEU 57 0.326 -8.020 6.223 415 HD11 LEU 57 HD11 LEU 57 2.228 -9.495 5.779 416 HD12 LEU 57 HD12 LEU 57 1.203 -10.505 4.761 417 HD13 LEU 57 HD13 LEU 57 0.872 -10.371 6.488 418 HD21 LEU 57 HD21 LEU 57 1.917 -7.830 4.202 419 HD22 LEU 57 HD22 LEU 57 0.468 -6.827 4.256 420 HD23 LEU 57 HD23 LEU 57 0.498 -8.277 3.247 421 H VAL 58 H VAL 58 -3.746 -11.122 5.015 422 HA VAL 58 HA VAL 58 -5.759 -9.246 5.816 423 HB VAL 58 HB VAL 58 -5.928 -10.690 3.745 424 HG11 VAL 58 HG11 VAL 58 -6.993 -12.944 4.153 425 HG12 VAL 58 HG12 VAL 58 -6.464 -12.789 5.838 426 HG13 VAL 58 HG13 VAL 58 -5.272 -12.819 4.526 427 HG21 VAL 58 HG21 VAL 58 -7.842 -9.450 4.665 428 HG22 VAL 58 HG22 VAL 58 -8.253 -10.844 5.662 429 HG23 VAL 58 HG23 VAL 58 -8.336 -10.961 3.904 430 H GLN 59 H GLN 59 -4.425 -12.203 7.053 431 HA GLN 59 HA GLN 59 -6.427 -12.688 9.002 432 HB2 GLN 59 HB2 GLN 59 -3.528 -13.494 9.138 433 HB3 GLN 59 HB3 GLN 59 -4.907 -14.327 9.838 434 HG2 GLN 59 HG2 GLN 59 -4.821 -13.929 6.913 435 HG3 GLN 59 HG3 GLN 59 -3.782 -15.149 7.607 436 HE21 GLN 59 HE21 GLN 59 -5.890 -15.535 5.790 437 HE22 GLN 59 HE22 GLN 59 -7.095 -16.517 6.553 438 H ASN 60 H ASN 60 -3.675 -10.769 8.660 439 HA ASN 60 HA ASN 60 -3.335 -10.004 11.386 440 HB2 ASN 60 HB2 ASN 60 -1.947 -9.700 8.820 441 HB3 ASN 60 HB3 ASN 60 -1.795 -8.338 9.896 442 HD21 ASN 60 HD21 ASN 60 -1.037 -11.643 9.345 443 HD22 ASN 60 HD22 ASN 60 0.108 -11.819 10.632 444 HA PRO 61 HA PRO 61 -5.505 -6.131 11.913 445 HB2 PRO 61 HB2 PRO 61 -2.847 -4.861 11.311 446 HB3 PRO 61 HB3 PRO 61 -4.034 -4.423 12.543 447 HG2 PRO 61 HG2 PRO 61 -1.921 -5.867 13.199 448 HG3 PRO 61 HG3 PRO 61 -3.511 -6.238 13.888 449 HD2 PRO 61 HD2 PRO 61 -1.942 -7.714 11.866 450 HD3 PRO 61 HD3 PRO 61 -3.176 -8.306 12.992 451 HA PRO 62 HA PRO 62 -7.525 -4.141 8.731 452 HB2 PRO 62 HB2 PRO 62 -5.781 -1.760 9.087 453 HB3 PRO 62 HB3 PRO 62 -7.524 -1.834 8.816 454 HG2 PRO 62 HG2 PRO 62 -6.561 -1.545 11.270 455 HG3 PRO 62 HG3 PRO 62 -7.965 -2.581 10.959 456 HD2 PRO 62 HD2 PRO 62 -5.224 -3.315 11.708 457 HD3 PRO 62 HD3 PRO 62 -6.723 -4.243 11.877 458 H GLN 63 H GLN 63 -4.173 -4.427 8.037 459 HA GLN 63 HA GLN 63 -3.652 -2.815 5.918 460 HB2 GLN 63 HB2 GLN 63 -2.197 -4.642 7.048 461 HB3 GLN 63 HB3 GLN 63 -2.704 -5.594 5.642 462 HG2 GLN 63 HG2 GLN 63 -2.178 -3.459 4.343 463 HG3 GLN 63 HG3 GLN 63 -1.186 -3.039 5.740 464 HE21 GLN 63 HE21 GLN 63 -1.614 -4.940 2.996 465 HE22 GLN 63 HE22 GLN 63 -0.070 -5.643 2.972 466 H LEU 64 H LEU 64 -5.689 -5.601 5.751 467 HA LEU 64 HA LEU 64 -5.757 -6.306 3.145 468 HB2 LEU 64 HB2 LEU 64 -7.118 -7.460 4.653 469 HB3 LEU 64 HB3 LEU 64 -7.958 -6.004 5.150 470 HG LEU 64 HG LEU 64 -8.790 -5.885 2.756 471 HD11 LEU 64 HD11 LEU 64 -8.953 -8.037 1.581 472 HD12 LEU 64 HD12 LEU 64 -7.903 -8.759 2.798 473 HD13 LEU 64 HD13 LEU 64 -7.290 -7.477 1.752 474 HD21 LEU 64 HD21 LEU 64 -9.828 -8.218 4.335 475 HD22 LEU 64 HD22 LEU 64 -10.717 -7.148 3.240 476 HD23 LEU 64 HD23 LEU 64 -10.120 -6.535 4.790 477 H GLY 65 H GLY 65 -7.566 -3.616 4.582 478 HA2 GLY 65 HA2 GLY 65 -9.086 -2.845 2.406 479 HA3 GLY 65 HA3 GLY 65 -8.540 -1.753 3.652 480 H ARG 66 H ARG 66 -5.761 -2.093 3.079 481 HA ARG 66 HA ARG 66 -5.473 -0.122 1.043 482 HB2 ARG 66 HB2 ARG 66 -3.848 0.263 2.519 483 HB3 ARG 66 HB3 ARG 66 -3.896 -1.384 3.123 484 HG2 ARG 66 HG2 ARG 66 -2.688 -1.749 0.734 485 HG3 ARG 66 HG3 ARG 66 -2.099 -0.141 1.182 486 HD2 ARG 66 HD2 ARG 66 -1.962 -1.463 3.536 487 HD3 ARG 66 HD3 ARG 66 -1.591 -2.766 2.398 488 HE ARG 66 HE ARG 66 0.086 -0.934 1.520 489 HH11 ARG 66 HH11 ARG 66 -0.711 -1.640 4.853 490 HH12 ARG 66 HH12 ARG 66 0.870 -1.259 5.449 491 HH21 ARG 66 HH21 ARG 66 2.172 -0.384 2.311 492 HH22 ARG 66 HH22 ARG 66 2.506 -0.524 4.005 493 H ILE 67 H ILE 67 -4.897 -3.523 1.385 494 HA ILE 67 HA ILE 67 -3.273 -3.968 -0.843 495 HB ILE 67 HB ILE 67 -5.180 -5.883 0.489 496 HG12 ILE 67 HG12 ILE 67 -2.327 -5.162 1.182 497 HG13 ILE 67 HG13 ILE 67 -3.748 -4.666 2.082 498 HG21 ILE 67 HG21 ILE 67 -3.562 -7.580 -0.238 499 HG22 ILE 67 HG22 ILE 67 -2.644 -6.330 -1.077 500 HG23 ILE 67 HG23 ILE 67 -4.285 -6.717 -1.595 501 HD11 ILE 67 HD11 ILE 67 -2.668 -6.485 3.201 502 HD12 ILE 67 HD12 ILE 67 -2.768 -7.481 1.748 503 HD13 ILE 67 HD13 ILE 67 -4.235 -7.014 2.591 504 H LEU 68 H LEU 68 -6.778 -4.298 -0.441 505 HA LEU 68 HA LEU 68 -7.470 -5.677 -2.669 506 HB2 LEU 68 HB2 LEU 68 -8.903 -3.429 -1.315 507 HB3 LEU 68 HB3 LEU 68 -9.603 -4.241 -2.693 508 HG LEU 68 HG LEU 68 -10.580 -5.535 -1.170 509 HD11 LEU 68 HD11 LEU 68 -9.318 -7.480 -0.447 510 HD12 LEU 68 HD12 LEU 68 -7.813 -6.656 -0.856 511 HD13 LEU 68 HD13 LEU 68 -8.963 -7.070 -2.126 512 HD21 LEU 68 HD21 LEU 68 -9.989 -5.650 1.167 513 HD22 LEU 68 HD22 LEU 68 -9.927 -3.969 0.618 514 HD23 LEU 68 HD23 LEU 68 -8.431 -4.880 0.831 515 H LYS 69 H LYS 69 -7.428 -2.098 -2.599 516 HA LYS 69 HA LYS 69 -7.906 -2.162 -5.455 517 HB2 LYS 69 HB2 LYS 69 -8.053 -0.017 -3.373 518 HB3 LYS 69 HB3 LYS 69 -8.089 0.382 -5.087 519 HG2 LYS 69 HG2 LYS 69 -10.075 -0.850 -5.430 520 HG3 LYS 69 HG3 LYS 69 -9.956 -1.611 -3.847 521 HD2 LYS 69 HD2 LYS 69 -10.502 0.409 -2.736 522 HD3 LYS 69 HD3 LYS 69 -10.308 1.352 -4.217 523 HE2 LYS 69 HE2 LYS 69 -12.692 0.835 -3.482 524 HE3 LYS 69 HE3 LYS 69 -12.278 0.486 -5.158 525 HZ1 LYS 69 HZ1 LYS 69 -13.553 -1.306 -4.148 526 HZ2 LYS 69 HZ2 LYS 69 -12.364 -1.521 -2.967 527 HZ3 LYS 69 HZ3 LYS 69 -12.010 -1.838 -4.590 528 H TYR 70 H TYR 70 -5.549 -0.355 -3.391 529 HA TYR 70 HA TYR 70 -3.943 -0.183 -5.859 530 HB2 TYR 70 HB2 TYR 70 -4.215 1.957 -3.755 531 HB3 TYR 70 HB3 TYR 70 -3.261 2.068 -5.230 532 HD1 TYR 70 HD1 TYR 70 -4.529 1.892 -7.464 533 HD2 TYR 70 HD2 TYR 70 -6.452 2.611 -3.737 534 HE1 TYR 70 HE1 TYR 70 -6.497 2.767 -8.653 535 HE2 TYR 70 HE2 TYR 70 -8.424 3.486 -4.914 536 HH TYR 70 HH TYR 70 -8.878 3.101 -8.273 537 H HIS 71 H HIS 71 -3.873 -1.238 -2.659 538 HA HIS 71 HA HIS 71 -2.248 -1.818 -1.174 539 HB2 HIS 71 HB2 HIS 71 -1.455 -3.095 -3.219 540 HB3 HIS 71 HB3 HIS 71 -0.347 -1.766 -3.531 541 HD1 HIS 71 HD1 HIS 71 1.888 -2.723 -3.019 542 HD2 HIS 71 HD2 HIS 71 -0.913 -3.629 -0.081 543 HE1 HIS 71 HE1 HIS 71 3.166 -3.902 -1.206 544 HE2 HIS 71 HE2 HIS 71 1.413 -4.636 0.445 545 H VAL 72 H VAL 72 -2.894 0.806 -1.275 546 HA VAL 72 HA VAL 72 -0.456 2.380 -1.670 547 HB VAL 72 HB VAL 72 -2.373 2.867 -3.159 548 HG11 VAL 72 HG11 VAL 72 -4.380 3.936 -2.266 549 HG12 VAL 72 HG12 VAL 72 -3.777 3.702 -0.626 550 HG13 VAL 72 HG13 VAL 72 -4.181 2.305 -1.624 551 HG21 VAL 72 HG21 VAL 72 -0.795 4.646 -2.681 552 HG22 VAL 72 HG22 VAL 72 -1.703 5.091 -1.236 553 HG23 VAL 72 HG23 VAL 72 -2.426 5.302 -2.830 554 H VAL 73 H VAL 73 -0.035 4.129 -0.344 555 HA VAL 73 HA VAL 73 -1.638 4.479 2.076 556 HB VAL 73 HB VAL 73 0.301 3.454 2.987 557 HG11 VAL 73 HG11 VAL 73 1.674 3.737 0.867 558 HG12 VAL 73 HG12 VAL 73 2.543 3.893 2.393 559 HG13 VAL 73 HG13 VAL 73 2.100 5.337 1.485 560 HG21 VAL 73 HG21 VAL 73 -0.416 5.537 4.078 561 HG22 VAL 73 HG22 VAL 73 0.795 6.411 3.121 562 HG23 VAL 73 HG23 VAL 73 1.302 5.193 4.295 563 H ALA 74 H ALA 74 -2.364 6.488 2.194 564 HA ALA 74 HA ALA 74 -1.712 8.494 0.279 565 HB1 ALA 74 HB1 ALA 74 -3.203 8.596 2.899 566 HB2 ALA 74 HB2 ALA 74 -3.894 8.451 1.276 567 HB3 ALA 74 HB3 ALA 74 -3.090 9.945 1.763 568 H GLY 75 H GLY 75 -0.549 10.263 0.431 569 HA2 GLY 75 HA2 GLY 75 0.709 11.848 1.831 570 HA3 GLY 75 HA3 GLY 75 1.219 10.454 2.779 571 H ALA 76 H ALA 76 1.774 12.350 0.032 572 HA ALA 76 HA ALA 76 3.354 10.655 -1.533 573 HB1 ALA 76 HB1 ALA 76 4.198 12.681 -2.567 574 HB2 ALA 76 HB2 ALA 76 3.544 13.643 -1.241 575 HB3 ALA 76 HB3 ALA 76 2.454 12.777 -2.322 576 H TYR 77 H TYR 77 4.897 9.524 -0.571 577 HA TYR 77 HA TYR 77 7.109 11.037 0.693 578 HB2 TYR 77 HB2 TYR 77 6.838 8.099 1.158 579 HB3 TYR 77 HB3 TYR 77 7.579 9.327 2.167 580 HD1 TYR 77 HD1 TYR 77 5.751 11.103 3.131 581 HD2 TYR 77 HD2 TYR 77 4.966 7.096 1.937 582 HE1 TYR 77 HE1 TYR 77 3.785 11.047 4.613 583 HE2 TYR 77 HE2 TYR 77 2.993 7.028 3.398 584 HH TYR 77 HH TYR 77 1.612 9.772 4.744 585 H LYS 78 H LYS 78 8.922 11.078 -0.582 586 HA LYS 78 HA LYS 78 9.275 9.055 -2.598 587 HB2 LYS 78 HB2 LYS 78 11.092 11.291 -1.715 588 HB3 LYS 78 HB3 LYS 78 11.506 10.135 -2.973 589 HG2 LYS 78 HG2 LYS 78 10.665 11.810 -4.272 590 HG3 LYS 78 HG3 LYS 78 9.191 10.910 -3.955 591 HD2 LYS 78 HD2 LYS 78 9.416 12.613 -1.801 592 HD3 LYS 78 HD3 LYS 78 9.883 13.600 -3.192 593 HE2 LYS 78 HE2 LYS 78 7.836 12.775 -4.348 594 HE3 LYS 78 HE3 LYS 78 7.366 11.999 -2.837 595 HZ1 LYS 78 HZ1 LYS 78 7.370 14.191 -1.770 596 HZ2 LYS 78 HZ2 LYS 78 6.285 14.142 -3.068 597 HZ3 LYS 78 HZ3 LYS 78 7.773 14.919 -3.245 598 H ALA 79 H ALA 79 11.358 7.730 -2.553 599 HA ALA 79 HA ALA 79 11.144 6.014 -0.407 600 HB1 ALA 79 HB1 ALA 79 13.290 5.051 -1.114 601 HB2 ALA 79 HB2 ALA 79 13.538 6.436 -2.180 602 HB3 ALA 79 HB3 ALA 79 12.197 5.330 -2.471 603 H THR 80 H THR 80 13.096 8.873 -0.786 604 HA THR 80 HA THR 80 14.954 8.214 1.350 605 HB THR 80 HB THR 80 15.715 9.643 -0.460 606 HG1 THR 80 HG1 THR 80 16.699 10.085 1.516 607 HG21 THR 80 HG21 THR 80 13.610 10.710 -1.066 608 HG22 THR 80 HG22 THR 80 14.851 11.926 -0.764 609 HG23 THR 80 HG23 THR 80 13.611 11.610 0.450 610 H ASP 81 H ASP 81 11.845 9.754 1.184 611 HA ASP 81 HA ASP 81 12.071 11.196 3.652 612 HB2 ASP 81 HB2 ASP 81 10.404 11.693 1.809 613 HB3 ASP 81 HB3 ASP 81 9.539 10.239 2.295 614 H LEU 82 H LEU 82 10.781 8.097 2.607 615 HA LEU 82 HA LEU 82 9.906 7.152 5.061 616 HB2 LEU 82 HB2 LEU 82 10.993 5.704 2.660 617 HB3 LEU 82 HB3 LEU 82 10.202 4.908 4.005 618 HG LEU 82 HG LEU 82 8.373 5.114 2.735 619 HD11 LEU 82 HD11 LEU 82 7.044 7.049 3.161 620 HD12 LEU 82 HD12 LEU 82 8.482 7.990 3.555 621 HD13 LEU 82 HD13 LEU 82 7.980 6.668 4.606 622 HD21 LEU 82 HD21 LEU 82 9.580 7.469 1.341 623 HD22 LEU 82 HD22 LEU 82 8.091 6.641 0.889 624 HD23 LEU 82 HD23 LEU 82 9.632 5.796 0.790 625 H LYS 83 H LYS 83 13.118 6.620 3.553 626 HA LYS 83 HA LYS 83 14.213 5.226 5.647 627 HB2 LYS 83 HB2 LYS 83 16.071 6.846 4.077 628 HB3 LYS 83 HB3 LYS 83 15.933 5.128 4.335 629 HG2 LYS 83 HG2 LYS 83 14.217 4.989 2.718 630 HG3 LYS 83 HG3 LYS 83 14.475 6.696 2.356 631 HD2 LYS 83 HD2 LYS 83 15.676 5.234 0.774 632 HD3 LYS 83 HD3 LYS 83 16.750 6.292 1.686 633 HE2 LYS 83 HE2 LYS 83 17.279 4.423 3.196 634 HE3 LYS 83 HE3 LYS 83 16.223 3.373 2.256 635 HZ1 LYS 83 HZ1 LYS 83 17.650 3.726 0.338 636 HZ2 LYS 83 HZ2 LYS 83 18.538 3.096 1.629 637 HZ3 LYS 83 HZ3 LYS 83 18.659 4.733 1.244 638 H ARG 84 H ARG 84 13.919 8.670 5.038 639 HA ARG 84 HA ARG 84 15.639 9.706 6.939 640 HB2 ARG 84 HB2 ARG 84 13.671 10.525 5.214 641 HB3 ARG 84 HB3 ARG 84 13.169 11.063 6.794 642 HG2 ARG 84 HG2 ARG 84 15.987 11.457 6.401 643 HG3 ARG 84 HG3 ARG 84 15.032 12.247 5.181 644 HD2 ARG 84 HD2 ARG 84 13.624 12.998 7.257 645 HD3 ARG 84 HD3 ARG 84 15.131 12.697 8.102 646 HE ARG 84 HE ARG 84 15.588 14.313 5.824 647 HH11 ARG 84 HH11 ARG 84 14.286 14.453 9.070 648 HH12 ARG 84 HH12 ARG 84 14.618 16.144 9.266 649 HH21 ARG 84 HH21 ARG 84 16.032 16.536 6.084 650 HH22 ARG 84 HH22 ARG 84 15.616 17.329 7.570 651 H MET 85 H MET 85 12.471 8.321 7.090 652 HA MET 85 HA MET 85 12.248 8.593 9.963 653 HB2 MET 85 HB2 MET 85 10.533 7.105 7.980 654 HB3 MET 85 HB3 MET 85 10.163 7.300 9.681 655 HG2 MET 85 HG2 MET 85 10.029 9.706 9.368 656 HG3 MET 85 HG3 MET 85 10.424 9.506 7.666 657 HE1 MET 85 HE1 MET 85 7.793 8.829 10.491 658 HE2 MET 85 HE2 MET 85 8.103 7.203 9.881 659 HE3 MET 85 HE3 MET 85 6.533 7.958 9.615 660 H GLY 86 H GLY 86 12.922 6.013 7.566 661 HA2 GLY 86 HA2 GLY 86 13.924 3.938 7.977 662 HA3 GLY 86 HA3 GLY 86 14.023 4.341 9.685 663 H ILE 87 H ILE 87 10.985 4.862 8.409 664 HA ILE 87 HA ILE 87 9.833 2.296 8.629 665 HB ILE 87 HB ILE 87 10.244 3.251 11.075 666 HG12 ILE 87 HG12 ILE 87 7.474 2.229 10.480 667 HG13 ILE 87 HG13 ILE 87 8.873 1.192 10.278 668 HG21 ILE 87 HG21 ILE 87 9.202 5.386 10.662 669 HG22 ILE 87 HG22 ILE 87 8.271 4.488 11.864 670 HG23 ILE 87 HG23 ILE 87 7.705 4.579 10.192 671 HD11 ILE 87 HD11 ILE 87 7.859 0.797 12.409 672 HD12 ILE 87 HD12 ILE 87 7.966 2.509 12.816 673 HD13 ILE 87 HD13 ILE 87 9.436 1.548 12.644 674 H VAL 88 H VAL 88 7.549 2.413 8.167 675 HA VAL 88 HA VAL 88 6.663 4.969 7.009 676 HB VAL 88 HB VAL 88 5.610 3.561 5.171 677 HG11 VAL 88 HG11 VAL 88 8.581 3.861 5.494 678 HG12 VAL 88 HG12 VAL 88 7.457 4.887 4.592 679 HG13 VAL 88 HG13 VAL 88 7.847 3.274 3.994 680 HG21 VAL 88 HG21 VAL 88 5.844 1.386 6.302 681 HG22 VAL 88 HG22 VAL 88 7.606 1.531 6.197 682 HG23 VAL 88 HG23 VAL 88 6.634 1.389 4.721 683 H THR 89 H THR 89 4.492 5.435 7.329 684 HA THR 89 HA THR 89 3.011 3.392 8.832 685 HB THR 89 HB THR 89 2.220 6.293 8.745 686 HG1 THR 89 HG1 THR 89 4.109 6.541 9.757 687 HG21 THR 89 HG21 THR 89 0.537 4.702 9.523 688 HG22 THR 89 HG22 THR 89 1.124 5.670 10.880 689 HG23 THR 89 HG23 THR 89 1.694 4.009 10.668 690 H SER 90 H SER 90 1.269 2.546 8.042 691 HA SER 90 HA SER 90 0.553 2.952 5.330 692 HB2 SER 90 HB2 SER 90 0.423 0.754 6.221 693 HB3 SER 90 HB3 SER 90 -0.567 1.267 7.589 694 HG SER 90 HG SER 90 -1.826 0.236 5.973 695 H LEU 91 H LEU 91 -1.695 3.327 4.607 696 HA LEU 91 HA LEU 91 -2.904 5.666 5.473 697 HB2 LEU 91 HB2 LEU 91 -3.227 4.109 3.367 698 HB3 LEU 91 HB3 LEU 91 -4.549 3.454 4.305 699 HG LEU 91 HG LEU 91 -5.793 5.374 4.200 700 HD11 LEU 91 HD11 LEU 91 -3.186 6.778 3.763 701 HD12 LEU 91 HD12 LEU 91 -4.329 6.975 5.095 702 HD13 LEU 91 HD13 LEU 91 -4.743 7.557 3.481 703 HD21 LEU 91 HD21 LEU 91 -5.583 4.439 1.994 704 HD22 LEU 91 HD22 LEU 91 -4.124 5.388 1.704 705 HD23 LEU 91 HD23 LEU 91 -5.677 6.200 1.902 706 H GLU 92 H GLU 92 -3.164 2.381 6.524 707 HA GLU 92 HA GLU 92 -5.588 2.671 8.086 708 HB2 GLU 92 HB2 GLU 92 -5.130 0.384 8.793 709 HB3 GLU 92 HB3 GLU 92 -4.848 0.511 7.049 710 HG2 GLU 92 HG2 GLU 92 -2.413 0.976 7.730 711 HG3 GLU 92 HG3 GLU 92 -2.877 0.282 9.276 712 H GLY 93 H GLY 93 -2.257 3.167 8.458 713 HA2 GLY 93 HA2 GLY 93 -1.370 4.494 10.241 714 HA3 GLY 93 HA3 GLY 93 -2.559 3.781 11.310 715 H SER 94 H SER 94 -1.168 1.472 9.250 716 HA SER 94 HA SER 94 0.273 0.373 11.449 717 HB2 SER 94 HB2 SER 94 -0.409 -0.652 8.717 718 HB3 SER 94 HB3 SER 94 0.504 -1.562 9.897 719 HG SER 94 HG SER 94 -2.010 -1.656 9.712 720 H THR 95 H THR 95 2.355 0.658 11.784 721 HA THR 95 HA THR 95 4.026 1.870 9.784 722 HB THR 95 HB THR 95 5.607 1.199 11.985 723 HG1 THR 95 HG1 THR 95 4.365 1.406 13.733 724 HG21 THR 95 HG21 THR 95 5.659 3.308 10.746 725 HG22 THR 95 HG22 THR 95 5.474 3.597 12.476 726 HG23 THR 95 HG23 THR 95 4.081 3.740 11.406 727 H ILE 96 H ILE 96 5.660 1.016 8.693 728 HA ILE 96 HA ILE 96 6.480 -1.758 9.191 729 HB ILE 96 HB ILE 96 5.636 -0.493 6.621 730 HG12 ILE 96 HG12 ILE 96 4.991 -3.008 6.256 731 HG13 ILE 96 HG13 ILE 96 5.210 -3.112 8.002 732 HG21 ILE 96 HG21 ILE 96 6.852 -2.219 5.339 733 HG22 ILE 96 HG22 ILE 96 7.743 -2.624 6.806 734 HG23 ILE 96 HG23 ILE 96 7.901 -1.018 6.094 735 HD11 ILE 96 HD11 ILE 96 2.884 -2.741 7.451 736 HD12 ILE 96 HD12 ILE 96 3.306 -1.270 6.574 737 HD13 ILE 96 HD13 ILE 96 3.541 -1.354 8.320 738 HA PRO 97 HA PRO 97 10.303 0.435 9.570 739 HB2 PRO 97 HB2 PRO 97 11.786 -2.054 9.458 740 HB3 PRO 97 HB3 PRO 97 11.454 -1.026 10.852 741 HG2 PRO 97 HG2 PRO 97 10.377 -3.516 10.492 742 HG3 PRO 97 HG3 PRO 97 9.630 -2.241 11.472 743 HD2 PRO 97 HD2 PRO 97 8.966 -3.161 8.712 744 HD3 PRO 97 HD3 PRO 97 7.893 -2.606 10.013 745 H ILE 98 H ILE 98 11.588 1.381 8.278 746 HA ILE 98 HA ILE 98 12.091 0.302 5.625 747 HB ILE 98 HB ILE 98 12.401 3.052 6.806 748 HG12 ILE 98 HG12 ILE 98 10.106 2.390 6.364 749 HG13 ILE 98 HG13 ILE 98 10.616 3.611 5.205 750 HG21 ILE 98 HG21 ILE 98 13.061 2.121 4.023 751 HG22 ILE 98 HG22 ILE 98 14.184 2.759 5.224 752 HG23 ILE 98 HG23 ILE 98 12.952 3.807 4.525 753 HD11 ILE 98 HD11 ILE 98 10.866 1.968 3.493 754 HD12 ILE 98 HD12 ILE 98 9.276 1.769 4.241 755 HD13 ILE 98 HD13 ILE 98 10.589 0.662 4.644 756 H HIS 99 H HIS 99 13.967 -0.260 4.919 757 HA HIS 99 HA HIS 99 16.396 0.347 6.451 758 HB2 HIS 99 HB2 HIS 99 15.715 -2.273 5.141 759 HB3 HIS 99 HB3 HIS 99 17.295 -1.873 5.781 760 HD1 HIS 99 HD1 HIS 99 14.155 -3.397 6.710 761 HD2 HIS 99 HD2 HIS 99 17.195 -1.372 8.693 762 HE1 HIS 99 HE1 HIS 99 13.870 -3.964 9.143 763 HE2 HIS 99 HE2 HIS 99 15.643 -2.629 10.336 764 H GLY 100 H GLY 100 18.313 -0.486 4.763 765 HA2 GLY 100 HA2 GLY 100 18.198 -0.124 2.117 766 HA3 GLY 100 HA3 GLY 100 18.024 1.516 2.700 767 H ASP 101 H ASP 101 20.132 -1.095 2.130 768 HA ASP 101 HA ASP 101 22.450 0.186 3.315 769 HB2 ASP 101 HB2 ASP 101 22.306 -2.286 3.162 770 HB3 ASP 101 HB3 ASP 101 22.286 -2.164 1.406 771 H ASN 102 H ASN 102 20.934 -0.212 0.206 772 HA ASN 102 HA ASN 102 22.366 2.115 -0.774 773 HB2 ASN 102 HB2 ASN 102 23.713 0.284 -1.636 774 HB3 ASN 102 HB3 ASN 102 22.288 -0.493 -2.301 775 HD21 ASN 102 HD21 ASN 102 24.582 2.066 -2.642 776 HD22 ASN 102 HD22 ASN 102 24.125 2.546 -4.242 777 HA PRO 103 HA PRO 103 18.177 1.722 -2.994 778 HB2 PRO 103 HB2 PRO 103 16.807 -0.535 -3.116 779 HB3 PRO 103 HB3 PRO 103 18.234 -0.331 -4.139 780 HG2 PRO 103 HG2 PRO 103 17.971 -1.782 -1.538 781 HG3 PRO 103 HG3 PRO 103 18.740 -2.321 -3.042 782 HD2 PRO 103 HD2 PRO 103 20.108 -1.228 -0.954 783 HD3 PRO 103 HD3 PRO 103 20.656 -1.152 -2.633 784 H LEU 104 H LEU 104 15.825 1.666 -2.244 785 HA LEU 104 HA LEU 104 15.624 1.833 0.600 786 HB2 LEU 104 HB2 LEU 104 14.167 3.146 -0.940 787 HB3 LEU 104 HB3 LEU 104 13.396 1.648 -1.406 788 HG LEU 104 HG LEU 104 12.849 1.369 1.091 789 HD11 LEU 104 HD11 LEU 104 13.495 4.306 0.990 790 HD12 LEU 104 HD12 LEU 104 14.286 3.090 1.998 791 HD13 LEU 104 HD13 LEU 104 12.598 3.517 2.285 792 HD21 LEU 104 HD21 LEU 104 10.871 2.834 0.857 793 HD22 LEU 104 HD22 LEU 104 11.152 1.769 -0.516 794 HD23 LEU 104 HD23 LEU 104 11.581 3.479 -0.626 795 H GLU 105 H GLU 105 14.376 0.448 1.938 796 HA GLU 105 HA GLU 105 13.867 -2.235 0.909 797 HB2 GLU 105 HB2 GLU 105 15.643 -1.703 3.304 798 HB3 GLU 105 HB3 GLU 105 15.139 -3.288 2.732 799 HG2 GLU 105 HG2 GLU 105 16.329 -2.839 0.615 800 HG3 GLU 105 HG3 GLU 105 16.899 -1.325 1.282 801 H VAL 106 H VAL 106 11.817 -2.447 1.381 802 HA VAL 106 HA VAL 106 10.793 -1.295 3.872 803 HB VAL 106 HB VAL 106 9.520 -0.186 2.386 804 HG11 VAL 106 HG11 VAL 106 10.838 -0.873 0.478 805 HG12 VAL 106 HG12 VAL 106 9.122 -0.877 0.065 806 HG13 VAL 106 HG13 VAL 106 9.953 -2.398 0.392 807 HG21 VAL 106 HG21 VAL 106 8.075 -2.788 1.944 808 HG22 VAL 106 HG22 VAL 106 7.404 -1.154 1.892 809 HG23 VAL 106 HG23 VAL 106 7.937 -1.840 3.429 810 H LYS 107 H LYS 107 9.870 -2.551 5.359 811 HA LYS 107 HA LYS 107 9.264 -4.337 6.533 812 HB2 LYS 107 HB2 LYS 107 7.588 -5.898 5.560 813 HB3 LYS 107 HB3 LYS 107 7.172 -4.204 5.456 814 HG2 LYS 107 HG2 LYS 107 8.058 -4.360 3.037 815 HG3 LYS 107 HG3 LYS 107 7.928 -6.096 3.275 816 HD2 LYS 107 HD2 LYS 107 5.665 -4.165 3.664 817 HD3 LYS 107 HD3 LYS 107 5.934 -5.130 2.210 818 HE2 LYS 107 HE2 LYS 107 5.641 -6.291 4.960 819 HE3 LYS 107 HE3 LYS 107 4.288 -6.084 3.850 820 HZ1 LYS 107 HZ1 LYS 107 6.718 -7.713 3.295 821 HZ2 LYS 107 HZ2 LYS 107 5.359 -7.588 2.290 822 HZ3 LYS 107 HZ3 LYS 107 5.232 -8.336 3.805 823 H ASN 108 H ASN 108 9.598 -6.178 3.554 824 HA ASN 108 HA ASN 108 11.966 -7.506 4.569 825 HB2 ASN 108 HB2 ASN 108 10.971 -9.757 4.217 826 HB3 ASN 108 HB3 ASN 108 10.163 -8.872 5.505 827 HD21 ASN 108 HD21 ASN 108 9.137 -11.090 4.021 828 HD22 ASN 108 HD22 ASN 108 7.710 -10.544 3.208 829 H ALA 109 H ALA 109 11.145 -5.684 2.449 830 HA ALA 109 HA ALA 109 11.701 -7.302 0.060 831 HB1 ALA 109 HB1 ALA 109 9.318 -6.642 0.233 832 HB2 ALA 109 HB2 ALA 109 10.124 -5.957 -1.179 833 HB3 ALA 109 HB3 ALA 109 9.818 -4.945 0.237 834 H THR 110 H THR 110 12.544 -5.986 -1.762 835 HA THR 110 HA THR 110 14.268 -3.835 -0.817 836 HB THR 110 HB THR 110 14.996 -5.724 -3.049 837 HG1 THR 110 HG1 THR 110 14.796 -7.010 -1.191 838 HG21 THR 110 HG21 THR 110 16.627 -3.923 -1.242 839 HG22 THR 110 HG22 THR 110 16.228 -3.618 -2.933 840 HG23 THR 110 HG23 THR 110 17.281 -4.967 -2.504 841 H VAL 111 H VAL 111 14.173 -2.026 -1.976 842 HA VAL 111 HA VAL 111 12.262 -1.869 -4.112 843 HB VAL 111 HB VAL 111 13.912 0.115 -2.626 844 HG11 VAL 111 HG11 VAL 111 13.164 1.913 -4.076 845 HG12 VAL 111 HG12 VAL 111 12.382 0.749 -5.145 846 HG13 VAL 111 HG13 VAL 111 14.139 0.761 -4.987 847 HG21 VAL 111 HG21 VAL 111 11.805 -0.497 -1.675 848 HG22 VAL 111 HG22 VAL 111 10.982 -0.222 -3.210 849 HG23 VAL 111 HG23 VAL 111 11.664 1.139 -2.322 850 H LEU 112 H LEU 112 12.600 -2.018 -6.166 851 HA LEU 112 HA LEU 112 15.275 -2.157 -7.259 852 HB2 LEU 112 HB2 LEU 112 12.541 -2.582 -8.446 853 HB3 LEU 112 HB3 LEU 112 14.008 -2.614 -9.406 854 HG LEU 112 HG LEU 112 14.731 -4.456 -7.692 855 HD11 LEU 112 HD11 LEU 112 11.795 -4.928 -7.594 856 HD12 LEU 112 HD12 LEU 112 12.541 -3.796 -6.455 857 HD13 LEU 112 HD13 LEU 112 13.075 -5.486 -6.488 858 HD21 LEU 112 HD21 LEU 112 14.374 -4.834 -10.081 859 HD22 LEU 112 HD22 LEU 112 12.636 -4.942 -9.811 860 HD23 LEU 112 HD23 LEU 112 13.712 -6.159 -9.126 861 H ALA 113 H ALA 113 12.385 -0.206 -7.351 862 HA ALA 113 HA ALA 113 13.867 2.090 -8.314 863 HB1 ALA 113 HB1 ALA 113 13.206 1.002 -10.403 864 HB2 ALA 113 HB2 ALA 113 12.347 2.527 -10.186 865 HB3 ALA 113 HB3 ALA 113 11.524 0.996 -9.873 866 H ALA 114 H ALA 114 13.247 3.679 -6.967 867 HA ALA 114 HA ALA 114 10.412 3.914 -6.338 868 HB1 ALA 114 HB1 ALA 114 12.698 3.854 -4.401 869 HB2 ALA 114 HB2 ALA 114 11.255 2.833 -4.410 870 HB3 ALA 114 HB3 ALA 114 11.128 4.543 -3.991 871 H ASP 115 H ASP 115 10.446 6.086 -4.784 872 HA ASP 115 HA ASP 115 10.392 8.346 -4.900 873 HB2 ASP 115 HB2 ASP 115 12.917 8.087 -6.564 874 HB3 ASP 115 HB3 ASP 115 12.338 9.539 -5.742 875 H ILE 116 H ILE 116 9.213 6.538 -6.789 876 HA ILE 116 HA ILE 116 9.222 7.741 -9.391 877 HB ILE 116 HB ILE 116 7.391 5.605 -8.292 878 HG12 ILE 116 HG12 ILE 116 10.113 5.328 -9.558 879 HG13 ILE 116 HG13 ILE 116 9.628 4.814 -7.957 880 HG21 ILE 116 HG21 ILE 116 6.997 5.002 -10.559 881 HG22 ILE 116 HG22 ILE 116 8.238 6.120 -11.127 882 HG23 ILE 116 HG23 ILE 116 6.748 6.744 -10.410 883 HD11 ILE 116 HD11 ILE 116 8.649 3.650 -10.552 884 HD12 ILE 116 HD12 ILE 116 8.152 3.139 -8.939 885 HD13 ILE 116 HD13 ILE 116 9.824 2.922 -9.456 886 H GLU 117 H GLU 117 8.075 9.556 -9.645 887 HA GLU 117 HA GLU 117 5.991 10.365 -7.930 888 HB2 GLU 117 HB2 GLU 117 6.527 11.302 -10.747 889 HB3 GLU 117 HB3 GLU 117 5.547 12.123 -9.538 890 HG2 GLU 117 HG2 GLU 117 7.560 12.351 -8.123 891 HG3 GLU 117 HG3 GLU 117 8.512 11.636 -9.423 892 H ALA 118 H ALA 118 4.215 9.268 -7.705 893 HA ALA 118 HA ALA 118 2.964 7.809 -9.854 894 HB1 ALA 118 HB1 ALA 118 2.313 8.283 -6.976 895 HB2 ALA 118 HB2 ALA 118 2.672 6.767 -7.807 896 HB3 ALA 118 HB3 ALA 118 1.123 7.568 -8.063 897 H GLU 119 H GLU 119 0.354 8.148 -9.701 898 HA GLU 119 HA GLU 119 -0.255 10.442 -11.112 899 HB2 GLU 119 HB2 GLU 119 -2.648 10.020 -10.280 900 HB3 GLU 119 HB3 GLU 119 -1.866 8.760 -11.217 901 HG2 GLU 119 HG2 GLU 119 -1.552 7.405 -9.339 902 HG3 GLU 119 HG3 GLU 119 -1.855 8.726 -8.219 903 H ASN 120 H ASN 120 -0.705 9.903 -7.620 904 HA ASN 120 HA ASN 120 -0.821 12.815 -7.311 905 HB2 ASN 120 HB2 ASN 120 -2.407 10.681 -5.933 906 HB3 ASN 120 HB3 ASN 120 -2.154 12.248 -5.172 907 HD21 ASN 120 HD21 ASN 120 -4.618 11.018 -6.100 908 HD22 ASN 120 HD22 ASN 120 -5.292 12.106 -7.263 909 H GLY 121 H GLY 121 0.980 10.073 -6.602 910 HA2 GLY 121 HA2 GLY 121 2.396 11.564 -4.518 911 HA3 GLY 121 HA3 GLY 121 1.783 9.983 -4.086 912 H ILE 122 H ILE 122 3.129 8.402 -4.274 913 HA ILE 122 HA ILE 122 5.312 8.465 -6.188 914 HB ILE 122 HB ILE 122 5.604 8.476 -3.209 915 HG12 ILE 122 HG12 ILE 122 5.517 10.632 -4.461 916 HG13 ILE 122 HG13 ILE 122 6.998 10.379 -3.540 917 HG21 ILE 122 HG21 ILE 122 7.665 7.715 -5.250 918 HG22 ILE 122 HG22 ILE 122 7.025 6.714 -3.944 919 HG23 ILE 122 HG23 ILE 122 8.023 8.121 -3.573 920 HD11 ILE 122 HD11 ILE 122 8.294 10.210 -5.401 921 HD12 ILE 122 HD12 ILE 122 7.026 11.266 -6.032 922 HD13 ILE 122 HD13 ILE 122 6.988 9.530 -6.375 923 H ILE 123 H ILE 123 6.181 6.488 -6.638 924 HA ILE 123 HA ILE 123 4.908 4.143 -5.370 925 HB ILE 123 HB ILE 123 5.680 4.600 -8.257 926 HG12 ILE 123 HG12 ILE 123 3.088 3.547 -7.184 927 HG13 ILE 123 HG13 ILE 123 3.424 5.269 -7.148 928 HG21 ILE 123 HG21 ILE 123 4.852 1.985 -6.991 929 HG22 ILE 123 HG22 ILE 123 6.458 2.363 -7.611 930 HG23 ILE 123 HG23 ILE 123 5.085 2.276 -8.715 931 HD11 ILE 123 HD11 ILE 123 3.780 5.190 -9.598 932 HD12 ILE 123 HD12 ILE 123 2.144 4.774 -9.093 933 HD13 ILE 123 HD13 ILE 123 3.270 3.501 -9.570 934 H HIS 124 H HIS 124 6.191 2.372 -4.882 935 HA HIS 124 HA HIS 124 9.060 2.574 -5.517 936 HB2 HIS 124 HB2 HIS 124 8.323 1.351 -2.906 937 HB3 HIS 124 HB3 HIS 124 9.800 2.155 -3.380 938 HD1 HIS 124 HD1 HIS 124 6.970 2.589 -1.278 939 HD2 HIS 124 HD2 HIS 124 9.289 5.147 -3.585 940 HE1 HIS 124 HE1 HIS 124 6.589 4.881 -0.328 941 HE2 HIS 124 HE2 HIS 124 7.853 6.434 -1.852 942 H VAL 125 H VAL 125 9.557 0.885 -6.691 943 HA VAL 125 HA VAL 125 7.947 -1.515 -6.721 944 HB VAL 125 HB VAL 125 10.512 -0.816 -8.172 945 HG11 VAL 125 HG11 VAL 125 9.874 -2.668 -9.701 946 HG12 VAL 125 HG12 VAL 125 8.616 -3.127 -8.552 947 HG13 VAL 125 HG13 VAL 125 10.316 -3.197 -8.079 948 HG21 VAL 125 HG21 VAL 125 9.078 -0.412 -10.101 949 HG22 VAL 125 HG22 VAL 125 8.659 0.650 -8.757 950 HG23 VAL 125 HG23 VAL 125 7.652 -0.752 -9.121 951 H ILE 126 H ILE 126 8.376 -3.380 -5.600 952 HA ILE 126 HA ILE 126 11.027 -3.616 -4.346 953 HB ILE 126 HB ILE 126 10.123 -4.511 -2.335 954 HG12 ILE 126 HG12 ILE 126 7.997 -5.369 -3.715 955 HG13 ILE 126 HG13 ILE 126 7.978 -5.191 -1.966 956 HG21 ILE 126 HG21 ILE 126 8.776 -1.942 -3.116 957 HG22 ILE 126 HG22 ILE 126 10.353 -2.145 -2.348 958 HG23 ILE 126 HG23 ILE 126 8.883 -2.553 -1.463 959 HD11 ILE 126 HD11 ILE 126 6.949 -3.154 -3.928 960 HD12 ILE 126 HD12 ILE 126 6.878 -3.048 -2.167 961 HD13 ILE 126 HD13 ILE 126 5.964 -4.296 -3.013 962 H ASP 127 H ASP 127 11.546 -5.807 -3.682 963 HA ASP 127 HA ASP 127 10.875 -7.577 -5.873 964 HB2 ASP 127 HB2 ASP 127 13.009 -8.424 -5.649 965 HB3 ASP 127 HB3 ASP 127 13.257 -6.785 -5.099 966 H THR 128 H THR 128 9.483 -7.187 -3.085 967 HA THR 128 HA THR 128 9.117 -10.019 -2.600 968 HB THR 128 HB THR 128 10.208 -8.128 -0.542 969 HG1 THR 128 HG1 THR 128 11.506 -9.611 -2.052 970 HG21 THR 128 HG21 THR 128 8.910 -10.808 -0.121 971 HG22 THR 128 HG22 THR 128 8.396 -9.248 0.533 972 HG23 THR 128 HG23 THR 128 9.901 -9.982 1.083 973 H VAL 129 H VAL 129 7.070 -10.411 -2.280 974 HA VAL 129 HA VAL 129 5.134 -8.392 -1.715 975 HB VAL 129 HB VAL 129 4.937 -11.415 -1.902 976 HG11 VAL 129 HG11 VAL 129 3.173 -10.246 -0.522 977 HG12 VAL 129 HG12 VAL 129 2.634 -11.277 -1.848 978 HG13 VAL 129 HG13 VAL 129 2.635 -9.517 -2.035 979 HG21 VAL 129 HG21 VAL 129 5.583 -10.312 -3.989 980 HG22 VAL 129 HG22 VAL 129 4.192 -9.236 -3.857 981 HG23 VAL 129 HG23 VAL 129 3.947 -10.966 -4.100 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -18.327 15.350 -3.619 2 H2 MET 1 H2 MET 1 -19.747 14.663 -4.220 3 H3 MET 1 H3 MET 1 -19.094 16.032 -4.964 4 HA MET 1 HA MET 1 -18.661 14.040 -6.248 5 HB2 MET 1 HB2 MET 1 -16.230 15.275 -4.937 6 HB3 MET 1 HB3 MET 1 -16.183 14.292 -6.396 7 HG2 MET 1 HG2 MET 1 -17.595 15.931 -7.535 8 HG3 MET 1 HG3 MET 1 -17.622 16.916 -6.076 9 HE1 MET 1 HE1 MET 1 -15.381 18.933 -8.604 10 HE2 MET 1 HE2 MET 1 -16.799 19.000 -7.560 11 HE3 MET 1 HE3 MET 1 -16.793 17.944 -8.971 12 H ALA 2 H ALA 2 -18.759 11.926 -6.015 13 HA ALA 2 HA ALA 2 -18.123 10.661 -3.525 14 HB1 ALA 2 HB1 ALA 2 -18.875 9.382 -6.149 15 HB2 ALA 2 HB2 ALA 2 -20.020 9.945 -4.932 16 HB3 ALA 2 HB3 ALA 2 -18.910 8.623 -4.556 17 H THR 3 H THR 3 -16.148 10.157 -2.946 18 HA THR 3 HA THR 3 -13.945 9.774 -4.678 19 HB THR 3 HB THR 3 -14.236 8.649 -1.888 20 HG1 THR 3 HG1 THR 3 -13.652 11.309 -2.730 21 HG21 THR 3 HG21 THR 3 -11.810 9.769 -3.294 22 HG22 THR 3 HG22 THR 3 -12.209 8.052 -3.221 23 HG23 THR 3 HG23 THR 3 -11.861 8.938 -1.735 24 H ILE 4 H ILE 4 -12.898 7.738 -5.244 25 HA ILE 4 HA ILE 4 -14.503 5.703 -6.158 26 HB ILE 4 HB ILE 4 -11.696 5.205 -5.159 27 HG12 ILE 4 HG12 ILE 4 -11.381 5.645 -7.816 28 HG13 ILE 4 HG13 ILE 4 -12.669 6.791 -7.465 29 HG21 ILE 4 HG21 ILE 4 -11.652 3.535 -6.956 30 HG22 ILE 4 HG22 ILE 4 -13.326 3.927 -7.349 31 HG23 ILE 4 HG23 ILE 4 -12.932 3.211 -5.787 32 HD11 ILE 4 HD11 ILE 4 -9.981 6.676 -6.117 33 HD12 ILE 4 HD12 ILE 4 -11.269 7.815 -5.733 34 HD13 ILE 4 HD13 ILE 4 -10.501 7.856 -7.319 35 H VAL 5 H VAL 5 -12.928 5.972 -3.041 36 HA VAL 5 HA VAL 5 -13.807 3.450 -2.038 37 HB VAL 5 HB VAL 5 -11.810 4.304 -1.083 38 HG11 VAL 5 HG11 VAL 5 -12.016 6.642 -1.596 39 HG12 VAL 5 HG12 VAL 5 -11.706 6.454 0.133 40 HG13 VAL 5 HG13 VAL 5 -13.341 6.806 -0.440 41 HG21 VAL 5 HG21 VAL 5 -12.409 4.550 1.315 42 HG22 VAL 5 HG22 VAL 5 -13.115 3.149 0.509 43 HG23 VAL 5 HG23 VAL 5 -14.097 4.584 0.806 44 H ASP 6 H ASP 6 -14.908 6.768 -1.807 45 HA ASP 6 HA ASP 6 -16.819 6.637 0.168 46 HB2 ASP 6 HB2 ASP 6 -16.186 8.691 -1.104 47 HB3 ASP 6 HB3 ASP 6 -17.116 8.096 -2.466 48 H ILE 7 H ILE 7 -17.153 5.999 -3.258 49 HA ILE 7 HA ILE 7 -19.799 5.218 -3.360 50 HB ILE 7 HB ILE 7 -17.567 4.081 -5.041 51 HG12 ILE 7 HG12 ILE 7 -19.260 6.444 -5.767 52 HG13 ILE 7 HG13 ILE 7 -17.865 6.669 -4.722 53 HG21 ILE 7 HG21 ILE 7 -20.483 4.512 -5.716 54 HG22 ILE 7 HG22 ILE 7 -19.813 2.962 -5.214 55 HG23 ILE 7 HG23 ILE 7 -19.267 3.718 -6.715 56 HD11 ILE 7 HD11 ILE 7 -17.392 7.116 -7.091 57 HD12 ILE 7 HD12 ILE 7 -17.751 5.426 -7.454 58 HD13 ILE 7 HD13 ILE 7 -16.388 5.836 -6.406 59 H ALA 8 H ALA 8 -17.100 3.446 -2.034 60 HA ALA 8 HA ALA 8 -18.177 0.838 -2.259 61 HB1 ALA 8 HB1 ALA 8 -16.309 1.918 -0.149 62 HB2 ALA 8 HB2 ALA 8 -15.828 1.233 -1.702 63 HB3 ALA 8 HB3 ALA 8 -16.610 0.215 -0.494 64 H VAL 9 H VAL 9 -18.515 3.362 0.203 65 HA VAL 9 HA VAL 9 -20.281 1.875 1.885 66 HB VAL 9 HB VAL 9 -20.139 4.885 1.615 67 HG11 VAL 9 HG11 VAL 9 -20.941 3.126 3.929 68 HG12 VAL 9 HG12 VAL 9 -22.026 4.090 2.927 69 HG13 VAL 9 HG13 VAL 9 -20.840 4.886 3.961 70 HG21 VAL 9 HG21 VAL 9 -18.431 3.066 3.305 71 HG22 VAL 9 HG22 VAL 9 -18.464 4.827 3.411 72 HG23 VAL 9 HG23 VAL 9 -17.893 4.043 1.938 73 H ASN 10 H ASN 10 -20.609 3.367 -1.128 74 HA ASN 10 HA ASN 10 -23.453 3.934 -0.880 75 HB2 ASN 10 HB2 ASN 10 -22.036 5.628 -1.872 76 HB3 ASN 10 HB3 ASN 10 -21.495 4.471 -3.046 77 HD21 ASN 10 HD21 ASN 10 -22.074 5.866 -4.639 78 HD22 ASN 10 HD22 ASN 10 -23.711 6.090 -5.085 79 H THR 11 H THR 11 -21.293 1.654 -2.286 80 HA THR 11 HA THR 11 -22.764 0.793 -4.467 81 HB THR 11 HB THR 11 -21.568 -1.447 -4.055 82 HG1 THR 11 HG1 THR 11 -20.994 -0.260 -1.782 83 HG21 THR 11 HG21 THR 11 -19.994 1.081 -4.506 84 HG22 THR 11 HG22 THR 11 -20.900 0.194 -5.731 85 HG23 THR 11 HG23 THR 11 -19.490 -0.544 -4.969 86 HA PRO 12 HA PRO 12 -26.071 -1.439 -2.466 87 HB2 PRO 12 HB2 PRO 12 -26.871 -2.341 -5.107 88 HB3 PRO 12 HB3 PRO 12 -27.674 -1.183 -4.050 89 HG2 PRO 12 HG2 PRO 12 -26.485 -0.475 -6.385 90 HG3 PRO 12 HG3 PRO 12 -26.626 0.616 -4.997 91 HD2 PRO 12 HD2 PRO 12 -24.292 -1.030 -5.886 92 HD3 PRO 12 HD3 PRO 12 -24.336 0.648 -5.315 93 H GLY 13 H GLY 13 -23.979 -2.802 -1.940 94 HA2 GLY 13 HA2 GLY 13 -23.416 -4.988 -1.449 95 HA3 GLY 13 HA3 GLY 13 -24.800 -5.513 -2.397 96 H PHE 14 H PHE 14 -21.974 -3.588 -3.332 97 HA PHE 14 HA PHE 14 -21.545 -4.965 -5.752 98 HB2 PHE 14 HB2 PHE 14 -20.486 -2.702 -4.586 99 HB3 PHE 14 HB3 PHE 14 -19.120 -3.804 -4.593 100 HD1 PHE 14 HD1 PHE 14 -21.836 -2.662 -6.887 101 HD2 PHE 14 HD2 PHE 14 -17.758 -3.781 -6.427 102 HE1 PHE 14 HE1 PHE 14 -21.427 -2.125 -9.252 103 HE2 PHE 14 HE2 PHE 14 -17.341 -3.245 -8.791 104 HZ PHE 14 HZ PHE 14 -19.176 -2.417 -10.206 105 H SER 15 H SER 15 -19.070 -5.738 -6.086 106 HA SER 15 HA SER 15 -18.804 -8.285 -5.015 107 HB2 SER 15 HB2 SER 15 -16.579 -6.503 -6.037 108 HB3 SER 15 HB3 SER 15 -16.581 -8.266 -5.992 109 HG SER 15 HG SER 15 -18.658 -7.860 -7.329 110 H THR 16 H THR 16 -17.174 -9.124 -3.587 111 HA THR 16 HA THR 16 -17.215 -7.930 -1.063 112 HB THR 16 HB THR 16 -15.224 -10.017 -1.963 113 HG1 THR 16 HG1 THR 16 -17.944 -10.341 -1.144 114 HG21 THR 16 HG21 THR 16 -15.474 -10.824 0.353 115 HG22 THR 16 HG22 THR 16 -16.559 -9.477 0.694 116 HG23 THR 16 HG23 THR 16 -14.868 -9.169 0.296 117 H LEU 17 H LEU 17 -15.110 -7.423 -3.717 118 HA LEU 17 HA LEU 17 -12.783 -6.528 -2.520 119 HB2 LEU 17 HB2 LEU 17 -14.213 -5.637 -5.006 120 HB3 LEU 17 HB3 LEU 17 -12.712 -4.887 -4.504 121 HG LEU 17 HG LEU 17 -11.650 -7.174 -4.586 122 HD11 LEU 17 HD11 LEU 17 -13.680 -8.518 -4.457 123 HD12 LEU 17 HD12 LEU 17 -12.756 -8.893 -5.910 124 HD13 LEU 17 HD13 LEU 17 -14.203 -7.890 -6.020 125 HD21 LEU 17 HD21 LEU 17 -12.800 -6.080 -7.147 126 HD22 LEU 17 HD22 LEU 17 -11.403 -7.146 -7.011 127 HD23 LEU 17 HD23 LEU 17 -11.335 -5.516 -6.342 128 H VAL 18 H VAL 18 -15.930 -4.915 -2.764 129 HA VAL 18 HA VAL 18 -14.817 -2.411 -1.796 130 HB VAL 18 HB VAL 18 -16.964 -1.456 -1.909 131 HG11 VAL 18 HG11 VAL 18 -17.819 -2.070 -4.138 132 HG12 VAL 18 HG12 VAL 18 -16.768 -3.487 -4.118 133 HG13 VAL 18 HG13 VAL 18 -16.067 -1.868 -4.093 134 HG21 VAL 18 HG21 VAL 18 -19.064 -2.746 -2.217 135 HG22 VAL 18 HG22 VAL 18 -18.288 -3.047 -0.653 136 HG23 VAL 18 HG23 VAL 18 -18.149 -4.233 -1.960 137 H THR 19 H THR 19 -16.587 -5.165 -0.590 138 HA THR 19 HA THR 19 -17.201 -4.074 1.930 139 HB THR 19 HB THR 19 -16.898 -7.001 1.655 140 HG1 THR 19 HG1 THR 19 -19.185 -6.506 0.527 141 HG21 THR 19 HG21 THR 19 -19.157 -6.885 2.713 142 HG22 THR 19 HG22 THR 19 -19.038 -5.122 2.671 143 HG23 THR 19 HG23 THR 19 -17.908 -6.059 3.645 144 H ALA 20 H ALA 20 -14.405 -5.614 0.612 145 HA ALA 20 HA ALA 20 -13.199 -6.501 3.008 146 HB1 ALA 20 HB1 ALA 20 -12.685 -7.275 0.710 147 HB2 ALA 20 HB2 ALA 20 -11.281 -6.908 1.711 148 HB3 ALA 20 HB3 ALA 20 -11.806 -5.766 0.472 149 H VAL 21 H VAL 21 -12.909 -3.406 1.258 150 HA VAL 21 HA VAL 21 -11.132 -2.347 3.282 151 HB VAL 21 HB VAL 21 -10.792 -1.207 1.289 152 HG11 VAL 21 HG11 VAL 21 -12.569 -0.328 -0.160 153 HG12 VAL 21 HG12 VAL 21 -13.784 -0.994 0.931 154 HG13 VAL 21 HG13 VAL 21 -12.706 -2.074 0.048 155 HG21 VAL 21 HG21 VAL 21 -11.710 1.081 1.582 156 HG22 VAL 21 HG22 VAL 21 -11.017 0.408 3.061 157 HG23 VAL 21 HG23 VAL 21 -12.773 0.446 2.846 158 H LYS 22 H LYS 22 -14.533 -2.283 2.565 159 HA LYS 22 HA LYS 22 -15.479 -0.464 4.385 160 HB2 LYS 22 HB2 LYS 22 -16.418 -2.784 2.836 161 HB3 LYS 22 HB3 LYS 22 -17.506 -2.254 4.072 162 HG2 LYS 22 HG2 LYS 22 -17.807 -0.198 3.068 163 HG3 LYS 22 HG3 LYS 22 -16.387 -0.382 2.090 164 HD2 LYS 22 HD2 LYS 22 -18.144 -0.728 0.684 165 HD3 LYS 22 HD3 LYS 22 -17.495 -2.308 1.109 166 HE2 LYS 22 HE2 LYS 22 -20.082 -1.569 1.244 167 HE3 LYS 22 HE3 LYS 22 -19.318 -2.953 1.977 168 HZ1 LYS 22 HZ1 LYS 22 -19.108 -1.747 4.022 169 HZ2 LYS 22 HZ2 LYS 22 -20.714 -1.644 3.515 170 HZ3 LYS 22 HZ3 LYS 22 -19.676 -0.328 3.302 171 H VAL 23 H VAL 23 -14.837 -3.902 4.737 172 HA VAL 23 HA VAL 23 -15.719 -4.026 7.473 173 HB VAL 23 HB VAL 23 -15.836 -6.020 6.062 174 HG11 VAL 23 HG11 VAL 23 -13.860 -7.173 5.294 175 HG12 VAL 23 HG12 VAL 23 -12.820 -5.959 6.045 176 HG13 VAL 23 HG13 VAL 23 -13.851 -5.511 4.677 177 HG21 VAL 23 HG21 VAL 23 -13.812 -6.322 8.268 178 HG22 VAL 23 HG22 VAL 23 -14.845 -7.597 7.617 179 HG23 VAL 23 HG23 VAL 23 -15.557 -6.238 8.491 180 H ALA 24 H ALA 24 -12.705 -3.638 5.758 181 HA ALA 24 HA ALA 24 -10.992 -4.058 7.983 182 HB1 ALA 24 HB1 ALA 24 -9.227 -3.392 6.577 183 HB2 ALA 24 HB2 ALA 24 -10.325 -2.543 5.493 184 HB3 ALA 24 HB3 ALA 24 -10.362 -4.303 5.581 185 H ASN 25 H ASN 25 -13.077 -1.610 7.416 186 HA ASN 25 HA ASN 25 -13.457 0.404 8.267 187 HB2 ASN 25 HB2 ASN 25 -12.735 0.847 10.373 188 HB3 ASN 25 HB3 ASN 25 -12.321 -0.850 10.266 189 HD21 ASN 25 HD21 ASN 25 -10.914 2.399 9.962 190 HD22 ASN 25 HD22 ASN 25 -9.324 1.929 10.462 191 H LEU 26 H LEU 26 -11.213 -0.141 6.139 192 HA LEU 26 HA LEU 26 -9.834 2.406 6.302 193 HB2 LEU 26 HB2 LEU 26 -9.521 -0.002 4.602 194 HB3 LEU 26 HB3 LEU 26 -8.963 1.539 3.970 195 HG LEU 26 HG LEU 26 -7.601 1.798 6.076 196 HD11 LEU 26 HD11 LEU 26 -8.655 0.293 7.550 197 HD12 LEU 26 HD12 LEU 26 -7.057 -0.371 7.208 198 HD13 LEU 26 HD13 LEU 26 -8.479 -1.047 6.419 199 HD21 LEU 26 HD21 LEU 26 -7.027 -0.475 4.189 200 HD22 LEU 26 HD22 LEU 26 -5.849 0.225 5.304 201 HD23 LEU 26 HD23 LEU 26 -6.542 1.215 4.020 202 H VAL 27 H VAL 27 -12.792 1.635 5.430 203 HA VAL 27 HA VAL 27 -13.216 2.827 2.948 204 HB VAL 27 HB VAL 27 -14.816 1.932 5.119 205 HG11 VAL 27 HG11 VAL 27 -15.746 4.579 4.027 206 HG12 VAL 27 HG12 VAL 27 -15.228 4.264 5.685 207 HG13 VAL 27 HG13 VAL 27 -16.686 3.495 5.053 208 HG21 VAL 27 HG21 VAL 27 -14.959 1.098 2.852 209 HG22 VAL 27 HG22 VAL 27 -15.500 2.685 2.279 210 HG23 VAL 27 HG23 VAL 27 -16.528 1.735 3.354 211 H GLU 28 H GLU 28 -12.892 4.227 6.145 212 HA GLU 28 HA GLU 28 -13.197 6.917 5.143 213 HB2 GLU 28 HB2 GLU 28 -12.433 7.489 7.530 214 HB3 GLU 28 HB3 GLU 28 -13.996 6.723 7.296 215 HG2 GLU 28 HG2 GLU 28 -13.100 4.587 7.944 216 HG3 GLU 28 HG3 GLU 28 -11.475 5.269 8.060 217 H ALA 29 H ALA 29 -10.602 4.710 5.577 218 HA ALA 29 HA ALA 29 -8.530 6.609 5.924 219 HB1 ALA 29 HB1 ALA 29 -8.379 4.248 6.666 220 HB2 ALA 29 HB2 ALA 29 -7.008 4.771 5.691 221 HB3 ALA 29 HB3 ALA 29 -8.265 3.765 4.972 222 H LEU 30 H LEU 30 -9.429 4.551 3.175 223 HA LEU 30 HA LEU 30 -7.674 5.538 1.274 224 HB2 LEU 30 HB2 LEU 30 -10.475 4.639 0.693 225 HB3 LEU 30 HB3 LEU 30 -9.102 4.594 -0.390 226 HG LEU 30 HG LEU 30 -9.575 2.882 2.035 227 HD11 LEU 30 HD11 LEU 30 -9.254 2.240 -0.885 228 HD12 LEU 30 HD12 LEU 30 -10.771 2.251 0.011 229 HD13 LEU 30 HD13 LEU 30 -9.519 1.071 0.409 230 HD21 LEU 30 HD21 LEU 30 -7.235 3.456 2.004 231 HD22 LEU 30 HD22 LEU 30 -7.125 3.045 0.292 232 HD23 LEU 30 HD23 LEU 30 -7.448 1.785 1.485 233 H GLN 31 H GLN 31 -10.305 7.152 2.651 234 HA GLN 31 HA GLN 31 -11.195 8.748 0.486 235 HB2 GLN 31 HB2 GLN 31 -11.325 9.389 3.424 236 HB3 GLN 31 HB3 GLN 31 -12.314 10.084 2.147 237 HG2 GLN 31 HG2 GLN 31 -12.334 7.149 2.513 238 HG3 GLN 31 HG3 GLN 31 -13.188 8.156 3.669 239 HE21 GLN 31 HE21 GLN 31 -13.988 6.219 1.566 240 HE22 GLN 31 HE22 GLN 31 -15.242 7.055 0.723 241 H SER 32 H SER 32 -8.255 8.751 1.970 242 HA SER 32 HA SER 32 -7.576 11.337 2.574 243 HB2 SER 32 HB2 SER 32 -5.256 10.613 1.706 244 HB3 SER 32 HB3 SER 32 -5.980 9.677 3.015 245 HG SER 32 HG SER 32 -6.283 8.978 0.286 246 HA PRO 33 HA PRO 33 -8.223 13.225 -1.423 247 HB2 PRO 33 HB2 PRO 33 -8.055 15.773 -0.590 248 HB3 PRO 33 HB3 PRO 33 -9.471 14.769 -0.264 249 HG2 PRO 33 HG2 PRO 33 -7.219 15.521 1.541 250 HG3 PRO 33 HG3 PRO 33 -8.943 15.353 1.908 251 HD2 PRO 33 HD2 PRO 33 -7.024 13.454 2.469 252 HD3 PRO 33 HD3 PRO 33 -8.756 13.119 2.294 253 H GLY 34 H GLY 34 -5.466 13.505 0.597 254 HA2 GLY 34 HA2 GLY 34 -4.018 15.346 -1.055 255 HA3 GLY 34 HA3 GLY 34 -3.394 14.469 0.327 256 HA PRO 35 HA PRO 35 -1.268 12.553 -3.131 257 HB2 PRO 35 HB2 PRO 35 0.976 11.982 -1.607 258 HB3 PRO 35 HB3 PRO 35 0.712 13.454 -2.537 259 HG2 PRO 35 HG2 PRO 35 0.818 13.182 0.308 260 HG3 PRO 35 HG3 PRO 35 0.547 14.636 -0.627 261 HD2 PRO 35 HD2 PRO 35 -1.365 12.926 0.785 262 HD3 PRO 35 HD3 PRO 35 -1.518 14.605 0.248 263 H PHE 36 H PHE 36 -0.190 10.449 -3.488 264 HA PHE 36 HA PHE 36 -1.082 8.360 -1.638 265 HB2 PHE 36 HB2 PHE 36 -1.694 8.568 -4.584 266 HB3 PHE 36 HB3 PHE 36 -1.671 7.015 -3.758 267 HD1 PHE 36 HD1 PHE 36 -3.329 6.480 -2.057 268 HD2 PHE 36 HD2 PHE 36 -3.475 10.148 -4.206 269 HE1 PHE 36 HE1 PHE 36 -5.653 6.811 -1.326 270 HE2 PHE 36 HE2 PHE 36 -5.799 10.485 -3.478 271 HZ PHE 36 HZ PHE 36 -6.891 8.814 -2.037 272 H THR 37 H THR 37 0.541 7.101 -1.116 273 HA THR 37 HA THR 37 2.821 6.852 -2.938 274 HB THR 37 HB THR 37 2.553 6.472 0.048 275 HG1 THR 37 HG1 THR 37 3.362 8.413 -0.007 276 HG21 THR 37 HG21 THR 37 4.914 5.806 0.074 277 HG22 THR 37 HG22 THR 37 4.937 5.799 -1.690 278 HG23 THR 37 HG23 THR 37 3.935 4.639 -0.818 279 H VAL 38 H VAL 38 2.565 5.183 -4.241 280 HA VAL 38 HA VAL 38 1.190 2.785 -3.289 281 HB VAL 38 HB VAL 38 2.111 3.420 -6.094 282 HG11 VAL 38 HG11 VAL 38 0.155 1.374 -5.061 283 HG12 VAL 38 HG12 VAL 38 1.776 1.046 -5.675 284 HG13 VAL 38 HG13 VAL 38 0.533 1.676 -6.757 285 HG21 VAL 38 HG21 VAL 38 -0.618 3.810 -4.873 286 HG22 VAL 38 HG22 VAL 38 -0.207 4.030 -6.574 287 HG23 VAL 38 HG23 VAL 38 0.496 5.091 -5.352 288 H PHE 39 H PHE 39 2.358 1.146 -2.554 289 HA PHE 39 HA PHE 39 5.093 0.747 -3.445 290 HB2 PHE 39 HB2 PHE 39 3.339 -0.889 -1.584 291 HB3 PHE 39 HB3 PHE 39 5.024 -1.248 -1.935 292 HD1 PHE 39 HD1 PHE 39 6.806 0.191 -1.113 293 HD2 PHE 39 HD2 PHE 39 2.737 0.884 -0.085 294 HE1 PHE 39 HE1 PHE 39 7.525 1.644 0.736 295 HE2 PHE 39 HE2 PHE 39 3.450 2.338 1.763 296 HZ PHE 39 HZ PHE 39 5.845 2.724 2.176 297 H ALA 40 H ALA 40 5.386 -0.146 -5.385 298 HA ALA 40 HA ALA 40 3.123 -1.546 -6.603 299 HB1 ALA 40 HB1 ALA 40 4.234 -1.103 -8.731 300 HB2 ALA 40 HB2 ALA 40 5.608 -0.406 -7.875 301 HB3 ALA 40 HB3 ALA 40 4.032 0.380 -7.800 302 HA PRO 41 HA PRO 41 5.405 -5.315 -6.138 303 HB2 PRO 41 HB2 PRO 41 3.619 -6.985 -7.218 304 HB3 PRO 41 HB3 PRO 41 3.334 -6.201 -5.658 305 HG2 PRO 41 HG2 PRO 41 2.244 -5.499 -8.352 306 HG3 PRO 41 HG3 PRO 41 1.424 -5.514 -6.781 307 HD2 PRO 41 HD2 PRO 41 2.424 -3.250 -8.000 308 HD3 PRO 41 HD3 PRO 41 2.153 -3.415 -6.254 309 H ASN 42 H ASN 42 7.062 -5.929 -7.341 310 HA ASN 42 HA ASN 42 7.082 -5.651 -10.207 311 HB2 ASN 42 HB2 ASN 42 9.349 -5.851 -9.965 312 HB3 ASN 42 HB3 ASN 42 9.001 -5.622 -8.272 313 HD21 ASN 42 HD21 ASN 42 8.862 -7.422 -6.945 314 HD22 ASN 42 HD22 ASN 42 9.788 -8.837 -7.303 315 H ASP 43 H ASP 43 8.069 -7.837 -11.367 316 HA ASP 43 HA ASP 43 5.856 -9.517 -11.582 317 HB2 ASP 43 HB2 ASP 43 8.716 -9.946 -12.423 318 HB3 ASP 43 HB3 ASP 43 7.421 -11.068 -12.822 319 H ASP 44 H ASP 44 8.622 -9.821 -9.461 320 HA ASP 44 HA ASP 44 8.094 -12.588 -8.816 321 HB2 ASP 44 HB2 ASP 44 10.414 -11.561 -8.939 322 HB3 ASP 44 HB3 ASP 44 10.011 -10.711 -7.460 323 H ALA 45 H ALA 45 7.269 -9.467 -7.800 324 HA ALA 45 HA ALA 45 6.385 -10.244 -5.161 325 HB1 ALA 45 HB1 ALA 45 5.658 -7.966 -4.932 326 HB2 ALA 45 HB2 ALA 45 5.914 -7.680 -6.657 327 HB3 ALA 45 HB3 ALA 45 7.290 -7.999 -5.602 328 H PHE 46 H PHE 46 5.057 -9.503 -8.328 329 HA PHE 46 HA PHE 46 2.330 -9.851 -7.821 330 HB2 PHE 46 HB2 PHE 46 3.508 -9.124 -9.972 331 HB3 PHE 46 HB3 PHE 46 3.778 -10.829 -10.287 332 HD1 PHE 46 HD1 PHE 46 1.191 -8.237 -9.876 333 HD2 PHE 46 HD2 PHE 46 2.051 -12.202 -11.151 334 HE1 PHE 46 HE1 PHE 46 -1.031 -8.379 -10.924 335 HE2 PHE 46 HE2 PHE 46 -0.168 -12.354 -12.198 336 HZ PHE 46 HZ PHE 46 -1.712 -10.440 -12.086 337 H ALA 47 H ALA 47 4.934 -11.973 -7.758 338 HA ALA 47 HA ALA 47 3.486 -14.451 -8.036 339 HB1 ALA 47 HB1 ALA 47 5.663 -14.468 -8.904 340 HB2 ALA 47 HB2 ALA 47 5.771 -15.381 -7.398 341 HB3 ALA 47 HB3 ALA 47 6.337 -13.705 -7.464 342 H LYS 48 H LYS 48 4.014 -12.205 -5.602 343 HA LYS 48 HA LYS 48 3.840 -14.092 -3.370 344 HB2 LYS 48 HB2 LYS 48 3.776 -11.093 -3.217 345 HB3 LYS 48 HB3 LYS 48 4.178 -12.246 -1.959 346 HG2 LYS 48 HG2 LYS 48 5.817 -11.823 -4.429 347 HG3 LYS 48 HG3 LYS 48 6.126 -11.033 -2.883 348 HD2 LYS 48 HD2 LYS 48 6.069 -14.009 -3.366 349 HD3 LYS 48 HD3 LYS 48 7.529 -13.017 -3.239 350 HE2 LYS 48 HE2 LYS 48 6.996 -12.455 -0.946 351 HE3 LYS 48 HE3 LYS 48 5.464 -13.318 -1.059 352 HZ1 LYS 48 HZ1 LYS 48 6.643 -15.377 -1.310 353 HZ2 LYS 48 HZ2 LYS 48 7.202 -14.592 0.080 354 HZ3 LYS 48 HZ3 LYS 48 8.132 -14.579 -1.328 355 H LEU 49 H LEU 49 1.953 -11.915 -5.247 356 HA LEU 49 HA LEU 49 -0.215 -11.337 -3.699 357 HB2 LEU 49 HB2 LEU 49 0.025 -11.909 -6.629 358 HB3 LEU 49 HB3 LEU 49 -1.478 -11.380 -5.906 359 HG LEU 49 HG LEU 49 1.130 -9.881 -5.946 360 HD11 LEU 49 HD11 LEU 49 -0.075 -8.239 -7.227 361 HD12 LEU 49 HD12 LEU 49 -1.540 -9.222 -7.154 362 HD13 LEU 49 HD13 LEU 49 -0.127 -9.805 -8.036 363 HD21 LEU 49 HD21 LEU 49 -0.171 -8.084 -4.826 364 HD22 LEU 49 HD22 LEU 49 0.136 -9.508 -3.831 365 HD23 LEU 49 HD23 LEU 49 -1.457 -9.264 -4.552 366 HA PRO 50 HA PRO 50 -2.487 -15.397 -5.026 367 HB2 PRO 50 HB2 PRO 50 -0.931 -17.529 -5.717 368 HB3 PRO 50 HB3 PRO 50 -1.606 -16.390 -6.885 369 HG2 PRO 50 HG2 PRO 50 1.147 -16.514 -5.733 370 HG3 PRO 50 HG3 PRO 50 0.643 -16.167 -7.396 371 HD2 PRO 50 HD2 PRO 50 1.388 -14.228 -5.650 372 HD3 PRO 50 HD3 PRO 50 0.175 -13.963 -6.927 373 H ASP 51 H ASP 51 -2.518 -15.025 -2.700 374 HA ASP 51 HA ASP 51 -2.405 -15.649 -0.525 375 HB2 ASP 51 HB2 ASP 51 -2.383 -18.336 -1.892 376 HB3 ASP 51 HB3 ASP 51 -2.530 -18.152 -0.146 377 H GLY 52 H GLY 52 -0.173 -14.609 -0.782 378 HA2 GLY 52 HA2 GLY 52 1.808 -16.555 0.212 379 HA3 GLY 52 HA3 GLY 52 2.244 -15.244 -0.872 380 H THR 53 H THR 53 2.207 -13.100 -0.110 381 HA THR 53 HA THR 53 3.149 -12.981 2.621 382 HB THR 53 HB THR 53 2.882 -10.808 0.553 383 HG1 THR 53 HG1 THR 53 5.093 -12.485 1.227 384 HG21 THR 53 HG21 THR 53 3.106 -9.824 2.707 385 HG22 THR 53 HG22 THR 53 4.694 -9.734 1.938 386 HG23 THR 53 HG23 THR 53 4.377 -10.961 3.166 387 H ILE 54 H ILE 54 0.739 -11.315 0.653 388 HA ILE 54 HA ILE 54 -0.258 -9.675 2.634 389 HB ILE 54 HB ILE 54 -1.057 -10.432 -0.067 390 HG12 ILE 54 HG12 ILE 54 -1.254 -7.994 -0.245 391 HG13 ILE 54 HG13 ILE 54 -1.081 -7.850 1.504 392 HG21 ILE 54 HG21 ILE 54 -3.174 -10.906 1.082 393 HG22 ILE 54 HG22 ILE 54 -3.291 -9.493 0.036 394 HG23 ILE 54 HG23 ILE 54 -3.145 -9.287 1.782 395 HD11 ILE 54 HD11 ILE 54 1.001 -7.323 0.574 396 HD12 ILE 54 HD12 ILE 54 0.975 -8.740 -0.476 397 HD13 ILE 54 HD13 ILE 54 1.160 -8.940 1.267 398 H THR 55 H THR 55 -0.843 -12.973 1.996 399 HA THR 55 HA THR 55 -3.255 -13.379 3.304 400 HB THR 55 HB THR 55 -0.863 -15.182 3.249 401 HG1 THR 55 HG1 THR 55 -3.125 -15.050 1.519 402 HG21 THR 55 HG21 THR 55 -2.373 -16.974 3.756 403 HG22 THR 55 HG22 THR 55 -3.766 -15.901 3.608 404 HG23 THR 55 HG23 THR 55 -2.642 -15.697 4.953 405 H SER 56 H SER 56 -0.015 -12.975 4.626 406 HA SER 56 HA SER 56 -0.908 -13.534 7.304 407 HB2 SER 56 HB2 SER 56 1.383 -14.131 6.630 408 HB3 SER 56 HB3 SER 56 1.724 -12.439 6.278 409 HG SER 56 HG SER 56 1.403 -13.729 8.751 410 H LEU 57 H LEU 57 -0.531 -10.923 5.188 411 HA LEU 57 HA LEU 57 -0.516 -8.800 7.078 412 HB2 LEU 57 HB2 LEU 57 -0.830 -9.031 4.181 413 HB3 LEU 57 HB3 LEU 57 -1.339 -7.546 4.928 414 HG LEU 57 HG LEU 57 0.886 -7.145 5.761 415 HD11 LEU 57 HD11 LEU 57 2.759 -8.617 5.246 416 HD12 LEU 57 HD12 LEU 57 1.654 -9.767 4.493 417 HD13 LEU 57 HD13 LEU 57 1.547 -9.446 6.223 418 HD21 LEU 57 HD21 LEU 57 0.192 -6.733 3.264 419 HD22 LEU 57 HD22 LEU 57 1.387 -7.996 2.944 420 HD23 LEU 57 HD23 LEU 57 1.872 -6.516 3.767 421 H VAL 58 H VAL 58 -2.993 -10.693 5.478 422 HA VAL 58 HA VAL 58 -5.111 -8.877 6.214 423 HB VAL 58 HB VAL 58 -5.243 -10.454 4.253 424 HG11 VAL 58 HG11 VAL 58 -4.367 -12.472 5.096 425 HG12 VAL 58 HG12 VAL 58 -6.095 -12.772 4.855 426 HG13 VAL 58 HG13 VAL 58 -5.469 -12.462 6.485 427 HG21 VAL 58 HG21 VAL 58 -7.201 -9.304 5.236 428 HG22 VAL 58 HG22 VAL 58 -7.476 -10.714 6.265 429 HG23 VAL 58 HG23 VAL 58 -7.606 -10.864 4.512 430 H GLN 59 H GLN 59 -3.517 -11.656 7.565 431 HA GLN 59 HA GLN 59 -5.383 -12.173 9.631 432 HB2 GLN 59 HB2 GLN 59 -2.415 -12.684 9.749 433 HB3 GLN 59 HB3 GLN 59 -3.697 -13.602 10.521 434 HG2 GLN 59 HG2 GLN 59 -3.719 -13.411 7.583 435 HG3 GLN 59 HG3 GLN 59 -2.494 -14.419 8.318 436 HE21 GLN 59 HE21 GLN 59 -4.629 -15.180 6.609 437 HE22 GLN 59 HE22 GLN 59 -5.631 -16.288 7.482 438 H ASN 60 H ASN 60 -2.825 -10.054 9.047 439 HA ASN 60 HA ASN 60 -2.492 -9.010 11.671 440 HB2 ASN 60 HB2 ASN 60 -1.246 -8.781 9.028 441 HB3 ASN 60 HB3 ASN 60 -1.228 -7.310 9.964 442 HD21 ASN 60 HD21 ASN 60 -0.094 -10.549 9.713 443 HD22 ASN 60 HD22 ASN 60 1.100 -10.454 10.967 444 HA PRO 61 HA PRO 61 -5.107 -5.450 12.120 445 HB2 PRO 61 HB2 PRO 61 -2.758 -3.849 11.136 446 HB3 PRO 61 HB3 PRO 61 -3.882 -3.482 12.451 447 HG2 PRO 61 HG2 PRO 61 -1.510 -4.537 12.978 448 HG3 PRO 61 HG3 PRO 61 -2.952 -5.061 13.867 449 HD2 PRO 61 HD2 PRO 61 -1.371 -6.497 11.832 450 HD3 PRO 61 HD3 PRO 61 -2.423 -7.139 13.106 451 HA PRO 62 HA PRO 62 -7.602 -4.044 8.889 452 HB2 PRO 62 HB2 PRO 62 -6.554 -1.305 9.384 453 HB3 PRO 62 HB3 PRO 62 -8.221 -1.839 9.129 454 HG2 PRO 62 HG2 PRO 62 -7.360 -1.409 11.583 455 HG3 PRO 62 HG3 PRO 62 -8.357 -2.832 11.233 456 HD2 PRO 62 HD2 PRO 62 -5.452 -2.645 11.792 457 HD3 PRO 62 HD3 PRO 62 -6.589 -3.956 12.148 458 H GLN 63 H GLN 63 -4.275 -3.378 8.382 459 HA GLN 63 HA GLN 63 -4.039 -1.909 6.106 460 HB2 GLN 63 HB2 GLN 63 -2.227 -3.028 7.399 461 HB3 GLN 63 HB3 GLN 63 -2.587 -4.491 6.483 462 HG2 GLN 63 HG2 GLN 63 -2.300 -3.064 4.413 463 HG3 GLN 63 HG3 GLN 63 -1.552 -1.873 5.483 464 HE21 GLN 63 HE21 GLN 63 -1.342 -4.940 4.011 465 HE22 GLN 63 HE22 GLN 63 0.299 -5.225 4.380 466 H LEU 64 H LEU 64 -5.632 -4.981 6.244 467 HA LEU 64 HA LEU 64 -5.584 -5.982 3.726 468 HB2 LEU 64 HB2 LEU 64 -6.957 -7.106 5.245 469 HB3 LEU 64 HB3 LEU 64 -7.817 -5.642 5.694 470 HG LEU 64 HG LEU 64 -8.659 -5.653 3.275 471 HD11 LEU 64 HD11 LEU 64 -8.845 -7.867 2.250 472 HD12 LEU 64 HD12 LEU 64 -7.832 -8.536 3.529 473 HD13 LEU 64 HD13 LEU 64 -7.167 -7.348 2.407 474 HD21 LEU 64 HD21 LEU 64 -10.009 -6.116 5.335 475 HD22 LEU 64 HD22 LEU 64 -9.708 -7.835 5.056 476 HD23 LEU 64 HD23 LEU 64 -10.594 -6.887 3.854 477 H GLY 65 H GLY 65 -7.569 -3.292 4.869 478 HA2 GLY 65 HA2 GLY 65 -9.051 -2.773 2.588 479 HA3 GLY 65 HA3 GLY 65 -8.620 -1.568 3.776 480 H ARG 66 H ARG 66 -5.737 -1.926 3.234 481 HA ARG 66 HA ARG 66 -5.539 -0.059 1.062 482 HB2 ARG 66 HB2 ARG 66 -4.023 0.501 2.655 483 HB3 ARG 66 HB3 ARG 66 -3.795 -1.163 3.170 484 HG2 ARG 66 HG2 ARG 66 -2.786 -0.969 0.559 485 HG3 ARG 66 HG3 ARG 66 -2.172 0.417 1.457 486 HD2 ARG 66 HD2 ARG 66 -1.631 -1.252 3.308 487 HD3 ARG 66 HD3 ARG 66 -1.907 -2.504 2.094 488 HE ARG 66 HE ARG 66 -0.147 -1.240 0.747 489 HH11 ARG 66 HH11 ARG 66 -0.115 -1.303 4.248 490 HH12 ARG 66 HH12 ARG 66 1.596 -1.101 4.360 491 HH21 ARG 66 HH21 ARG 66 2.110 -0.960 0.900 492 HH22 ARG 66 HH22 ARG 66 2.863 -0.905 2.459 493 H ILE 67 H ILE 67 -4.753 -3.378 1.738 494 HA ILE 67 HA ILE 67 -3.180 -4.005 -0.461 495 HB ILE 67 HB ILE 67 -5.094 -5.790 1.035 496 HG12 ILE 67 HG12 ILE 67 -2.210 -5.089 1.610 497 HG13 ILE 67 HG13 ILE 67 -3.593 -4.497 2.507 498 HG21 ILE 67 HG21 ILE 67 -4.278 -6.806 -0.992 499 HG22 ILE 67 HG22 ILE 67 -3.509 -7.561 0.406 500 HG23 ILE 67 HG23 ILE 67 -2.616 -6.392 -0.567 501 HD11 ILE 67 HD11 ILE 67 -4.119 -6.838 3.124 502 HD12 ILE 67 HD12 ILE 67 -2.586 -6.241 3.751 503 HD13 ILE 67 HD13 ILE 67 -2.611 -7.325 2.362 504 H LEU 68 H LEU 68 -6.693 -4.240 -0.047 505 HA LEU 68 HA LEU 68 -7.354 -5.689 -2.276 506 HB2 LEU 68 HB2 LEU 68 -8.848 -3.483 -0.917 507 HB3 LEU 68 HB3 LEU 68 -9.525 -4.334 -2.284 508 HG LEU 68 HG LEU 68 -10.441 -5.654 -0.748 509 HD11 LEU 68 HD11 LEU 68 -9.087 -7.527 0.019 510 HD12 LEU 68 HD12 LEU 68 -7.627 -6.651 -0.440 511 HD13 LEU 68 HD13 LEU 68 -8.781 -7.146 -1.675 512 HD21 LEU 68 HD21 LEU 68 -9.871 -5.691 1.586 513 HD22 LEU 68 HD22 LEU 68 -9.825 -4.022 1.003 514 HD23 LEU 68 HD23 LEU 68 -8.320 -4.909 1.245 515 H LYS 69 H LYS 69 -7.270 -2.112 -2.148 516 HA LYS 69 HA LYS 69 -8.045 -2.092 -4.932 517 HB2 LYS 69 HB2 LYS 69 -9.117 -0.573 -3.334 518 HB3 LYS 69 HB3 LYS 69 -7.567 0.198 -3.026 519 HG2 LYS 69 HG2 LYS 69 -7.470 0.904 -5.376 520 HG3 LYS 69 HG3 LYS 69 -9.055 0.176 -5.643 521 HD2 LYS 69 HD2 LYS 69 -9.996 1.684 -3.927 522 HD3 LYS 69 HD3 LYS 69 -8.411 2.444 -3.760 523 HE2 LYS 69 HE2 LYS 69 -10.061 2.340 -6.283 524 HE3 LYS 69 HE3 LYS 69 -9.897 3.738 -5.220 525 HZ1 LYS 69 HZ1 LYS 69 -8.445 3.839 -7.178 526 HZ2 LYS 69 HZ2 LYS 69 -7.648 2.441 -6.661 527 HZ3 LYS 69 HZ3 LYS 69 -7.568 3.853 -5.733 528 H TYR 70 H TYR 70 -5.403 -0.425 -3.129 529 HA TYR 70 HA TYR 70 -3.978 -0.426 -5.699 530 HB2 TYR 70 HB2 TYR 70 -5.050 1.804 -4.524 531 HB3 TYR 70 HB3 TYR 70 -3.372 1.871 -4.006 532 HD1 TYR 70 HD1 TYR 70 -1.954 0.778 -6.333 533 HD2 TYR 70 HD2 TYR 70 -5.269 3.437 -6.160 534 HE1 TYR 70 HE1 TYR 70 -1.323 1.697 -8.523 535 HE2 TYR 70 HE2 TYR 70 -4.646 4.364 -8.349 536 HH TYR 70 HH TYR 70 -2.617 4.574 -9.761 537 H HIS 71 H HIS 71 -3.749 -1.136 -2.362 538 HA HIS 71 HA HIS 71 -2.044 -1.838 -1.026 539 HB2 HIS 71 HB2 HIS 71 -1.437 -3.220 -3.031 540 HB3 HIS 71 HB3 HIS 71 -0.397 -1.914 -3.576 541 HD1 HIS 71 HD1 HIS 71 1.962 -2.118 -2.930 542 HD2 HIS 71 HD2 HIS 71 -0.512 -4.323 -0.420 543 HE1 HIS 71 HE1 HIS 71 3.502 -3.384 -1.407 544 HE2 HIS 71 HE2 HIS 71 2.000 -4.940 -0.131 545 H VAL 72 H VAL 72 -2.660 0.830 -1.268 546 HA VAL 72 HA VAL 72 -0.146 2.318 -1.596 547 HB VAL 72 HB VAL 72 -1.902 2.778 -3.277 548 HG11 VAL 72 HG11 VAL 72 -3.960 3.924 -2.625 549 HG12 VAL 72 HG12 VAL 72 -3.517 3.753 -0.927 550 HG13 VAL 72 HG13 VAL 72 -3.857 2.321 -1.897 551 HG21 VAL 72 HG21 VAL 72 -1.920 5.201 -3.122 552 HG22 VAL 72 HG22 VAL 72 -0.335 4.563 -2.688 553 HG23 VAL 72 HG23 VAL 72 -1.439 5.115 -1.428 554 H VAL 73 H VAL 73 0.174 4.166 -0.283 555 HA VAL 73 HA VAL 73 -1.575 4.491 2.053 556 HB VAL 73 HB VAL 73 0.293 3.464 3.063 557 HG11 VAL 73 HG11 VAL 73 1.798 3.554 1.111 558 HG12 VAL 73 HG12 VAL 73 2.606 4.023 2.608 559 HG13 VAL 73 HG13 VAL 73 2.103 5.256 1.456 560 HG21 VAL 73 HG21 VAL 73 0.856 6.407 3.200 561 HG22 VAL 73 HG22 VAL 73 1.300 5.184 4.397 562 HG23 VAL 73 HG23 VAL 73 -0.402 5.569 4.119 563 H ALA 74 H ALA 74 -2.206 6.558 2.370 564 HA ALA 74 HA ALA 74 -1.622 8.575 0.468 565 HB1 ALA 74 HB1 ALA 74 -2.833 10.060 2.066 566 HB2 ALA 74 HB2 ALA 74 -2.911 8.694 3.189 567 HB3 ALA 74 HB3 ALA 74 -3.715 8.598 1.619 568 H GLY 75 H GLY 75 -0.447 10.396 0.576 569 HA2 GLY 75 HA2 GLY 75 1.007 11.951 1.677 570 HA3 GLY 75 HA3 GLY 75 1.446 10.670 2.808 571 H ALA 76 H ALA 76 2.094 12.142 -0.168 572 HA ALA 76 HA ALA 76 3.644 10.330 -1.529 573 HB1 ALA 76 HB1 ALA 76 2.829 12.490 -2.406 574 HB2 ALA 76 HB2 ALA 76 4.552 12.237 -2.693 575 HB3 ALA 76 HB3 ALA 76 4.020 13.316 -1.403 576 H TYR 77 H TYR 77 5.231 9.245 -0.691 577 HA TYR 77 HA TYR 77 7.309 10.719 0.817 578 HB2 TYR 77 HB2 TYR 77 6.948 7.744 1.066 579 HB3 TYR 77 HB3 TYR 77 7.798 8.849 2.128 580 HD1 TYR 77 HD1 TYR 77 6.022 10.792 3.064 581 HD2 TYR 77 HD2 TYR 77 5.140 6.767 1.999 582 HE1 TYR 77 HE1 TYR 77 4.095 10.808 4.595 583 HE2 TYR 77 HE2 TYR 77 3.206 6.774 3.512 584 HH TYR 77 HH TYR 77 1.859 9.512 4.758 585 H LYS 78 H LYS 78 8.951 11.076 -0.654 586 HA LYS 78 HA LYS 78 9.858 9.277 -2.567 587 HB2 LYS 78 HB2 LYS 78 10.964 11.672 -1.170 588 HB3 LYS 78 HB3 LYS 78 12.019 10.688 -2.180 589 HG2 LYS 78 HG2 LYS 78 9.426 11.932 -3.083 590 HG3 LYS 78 HG3 LYS 78 11.019 12.506 -3.473 591 HD2 LYS 78 HD2 LYS 78 11.506 10.274 -4.424 592 HD3 LYS 78 HD3 LYS 78 9.783 9.934 -4.173 593 HE2 LYS 78 HE2 LYS 78 9.776 10.700 -6.296 594 HE3 LYS 78 HE3 LYS 78 9.428 12.137 -5.333 595 HZ1 LYS 78 HZ1 LYS 78 11.710 12.841 -5.549 596 HZ2 LYS 78 HZ2 LYS 78 11.085 12.566 -7.095 597 HZ3 LYS 78 HZ3 LYS 78 12.120 11.426 -6.388 598 H ALA 79 H ALA 79 12.062 8.187 -2.397 599 HA ALA 79 HA ALA 79 11.910 6.237 -0.401 600 HB1 ALA 79 HB1 ALA 79 14.060 5.454 -1.188 601 HB2 ALA 79 HB2 ALA 79 14.335 6.986 -2.018 602 HB3 ALA 79 HB3 ALA 79 13.043 5.913 -2.555 603 H THR 80 H THR 80 13.316 9.352 -0.345 604 HA THR 80 HA THR 80 15.303 8.776 1.645 605 HB THR 80 HB THR 80 15.649 10.549 -0.036 606 HG1 THR 80 HG1 THR 80 16.753 11.769 1.357 607 HG21 THR 80 HG21 THR 80 13.368 11.426 -0.159 608 HG22 THR 80 HG22 THR 80 14.525 12.708 0.195 609 HG23 THR 80 HG23 THR 80 13.516 12.051 1.483 610 H ASP 81 H ASP 81 11.982 9.944 1.597 611 HA ASP 81 HA ASP 81 11.969 10.977 4.256 612 HB2 ASP 81 HB2 ASP 81 10.279 11.563 2.512 613 HB3 ASP 81 HB3 ASP 81 9.638 9.927 2.633 614 H LEU 82 H LEU 82 10.944 7.923 2.810 615 HA LEU 82 HA LEU 82 10.013 6.634 5.068 616 HB2 LEU 82 HB2 LEU 82 11.349 5.592 2.580 617 HB3 LEU 82 HB3 LEU 82 10.557 4.553 3.752 618 HG LEU 82 HG LEU 82 8.722 4.817 2.512 619 HD11 LEU 82 HD11 LEU 82 8.734 7.689 3.339 620 HD12 LEU 82 HD12 LEU 82 8.274 6.369 4.402 621 HD13 LEU 82 HD13 LEU 82 7.336 6.687 2.945 622 HD21 LEU 82 HD21 LEU 82 9.976 7.217 1.237 623 HD22 LEU 82 HD22 LEU 82 8.521 6.386 0.685 624 HD23 LEU 82 HD23 LEU 82 10.077 5.558 0.647 625 H LYS 83 H LYS 83 13.239 6.430 3.622 626 HA LYS 83 HA LYS 83 14.231 4.676 5.605 627 HB2 LYS 83 HB2 LYS 83 15.122 4.900 3.301 628 HB3 LYS 83 HB3 LYS 83 15.755 6.476 3.753 629 HG2 LYS 83 HG2 LYS 83 17.300 5.552 5.250 630 HG3 LYS 83 HG3 LYS 83 16.503 3.974 5.211 631 HD2 LYS 83 HD2 LYS 83 18.569 3.951 3.895 632 HD3 LYS 83 HD3 LYS 83 17.153 3.692 2.873 633 HE2 LYS 83 HE2 LYS 83 18.680 5.212 1.781 634 HE3 LYS 83 HE3 LYS 83 17.209 6.069 2.232 635 HZ1 LYS 83 HZ1 LYS 83 19.212 7.349 2.712 636 HZ2 LYS 83 HZ2 LYS 83 19.759 6.135 3.751 637 HZ3 LYS 83 HZ3 LYS 83 18.356 7.002 4.128 638 H ARG 84 H ARG 84 14.245 8.163 5.257 639 HA ARG 84 HA ARG 84 15.926 9.010 7.237 640 HB2 ARG 84 HB2 ARG 84 13.917 10.099 5.683 641 HB3 ARG 84 HB3 ARG 84 13.372 10.369 7.328 642 HG2 ARG 84 HG2 ARG 84 15.025 11.838 7.790 643 HG3 ARG 84 HG3 ARG 84 16.187 11.006 6.749 644 HD2 ARG 84 HD2 ARG 84 15.102 11.873 4.794 645 HD3 ARG 84 HD3 ARG 84 13.878 12.671 5.777 646 HE ARG 84 HE ARG 84 16.483 13.532 6.515 647 HH11 ARG 84 HH11 ARG 84 14.058 13.914 4.016 648 HH12 ARG 84 HH12 ARG 84 14.585 15.502 3.567 649 HH21 ARG 84 HH21 ARG 84 17.183 15.627 5.917 650 HH22 ARG 84 HH22 ARG 84 16.359 16.475 4.645 651 H MET 85 H MET 85 12.597 7.943 7.482 652 HA MET 85 HA MET 85 12.532 8.106 10.359 653 HB2 MET 85 HB2 MET 85 10.593 6.882 8.401 654 HB3 MET 85 HB3 MET 85 10.300 7.057 10.120 655 HG2 MET 85 HG2 MET 85 10.407 9.467 9.899 656 HG3 MET 85 HG3 MET 85 10.758 9.304 8.181 657 HE1 MET 85 HE1 MET 85 8.215 7.128 10.300 658 HE2 MET 85 HE2 MET 85 6.746 8.088 10.122 659 HE3 MET 85 HE3 MET 85 8.119 8.736 11.017 660 H GLY 86 H GLY 86 12.894 5.604 7.917 661 HA2 GLY 86 HA2 GLY 86 13.758 3.452 8.183 662 HA3 GLY 86 HA3 GLY 86 13.862 3.739 9.912 663 H ILE 87 H ILE 87 10.870 4.528 8.634 664 HA ILE 87 HA ILE 87 9.604 2.004 8.682 665 HB ILE 87 HB ILE 87 10.003 2.822 11.188 666 HG12 ILE 87 HG12 ILE 87 7.235 1.870 10.494 667 HG13 ILE 87 HG13 ILE 87 8.623 0.830 10.232 668 HG21 ILE 87 HG21 ILE 87 8.032 4.044 12.007 669 HG22 ILE 87 HG22 ILE 87 7.488 4.222 10.335 670 HG23 ILE 87 HG23 ILE 87 8.986 4.992 10.863 671 HD11 ILE 87 HD11 ILE 87 9.171 1.047 12.629 672 HD12 ILE 87 HD12 ILE 87 7.608 0.293 12.320 673 HD13 ILE 87 HD13 ILE 87 7.687 1.977 12.841 674 H VAL 88 H VAL 88 7.380 2.196 8.163 675 HA VAL 88 HA VAL 88 6.517 4.835 7.197 676 HB VAL 88 HB VAL 88 5.496 3.586 5.234 677 HG11 VAL 88 HG11 VAL 88 7.374 4.937 4.836 678 HG12 VAL 88 HG12 VAL 88 7.743 3.393 4.074 679 HG13 VAL 88 HG13 VAL 88 8.467 3.807 5.636 680 HG21 VAL 88 HG21 VAL 88 5.661 1.328 6.189 681 HG22 VAL 88 HG22 VAL 88 7.424 1.444 6.158 682 HG23 VAL 88 HG23 VAL 88 6.508 1.435 4.644 683 H THR 89 H THR 89 4.285 5.223 7.387 684 HA THR 89 HA THR 89 2.847 3.133 8.870 685 HB THR 89 HB THR 89 1.951 5.998 8.723 686 HG1 THR 89 HG1 THR 89 4.237 5.380 9.671 687 HG21 THR 89 HG21 THR 89 0.327 4.393 9.544 688 HG22 THR 89 HG22 THR 89 0.911 5.368 10.897 689 HG23 THR 89 HG23 THR 89 1.514 3.720 10.673 690 H SER 90 H SER 90 1.059 2.276 8.098 691 HA SER 90 HA SER 90 0.340 2.652 5.375 692 HB2 SER 90 HB2 SER 90 -0.843 1.023 7.643 693 HB3 SER 90 HB3 SER 90 -1.445 0.959 5.973 694 HG SER 90 HG SER 90 1.156 0.299 6.912 695 H LEU 91 H LEU 91 -1.892 3.147 4.648 696 HA LEU 91 HA LEU 91 -2.889 5.557 5.498 697 HB2 LEU 91 HB2 LEU 91 -3.427 4.002 3.436 698 HB3 LEU 91 HB3 LEU 91 -4.787 3.504 4.415 699 HG LEU 91 HG LEU 91 -5.845 5.519 4.252 700 HD11 LEU 91 HD11 LEU 91 -4.255 6.982 5.159 701 HD12 LEU 91 HD12 LEU 91 -4.623 7.598 3.543 702 HD13 LEU 91 HD13 LEU 91 -3.136 6.691 3.827 703 HD21 LEU 91 HD21 LEU 91 -5.734 6.265 1.970 704 HD22 LEU 91 HD22 LEU 91 -5.607 4.504 2.040 705 HD23 LEU 91 HD23 LEU 91 -4.166 5.484 1.770 706 H GLU 92 H GLU 92 -3.651 2.337 6.599 707 HA GLU 92 HA GLU 92 -5.866 3.085 8.261 708 HB2 GLU 92 HB2 GLU 92 -5.790 0.771 9.047 709 HB3 GLU 92 HB3 GLU 92 -5.650 0.832 7.285 710 HG2 GLU 92 HG2 GLU 92 -3.863 -0.464 7.471 711 HG3 GLU 92 HG3 GLU 92 -3.030 0.905 8.201 712 H GLY 93 H GLY 93 -2.449 2.872 8.584 713 HA2 GLY 93 HA2 GLY 93 -1.504 4.215 10.427 714 HA3 GLY 93 HA3 GLY 93 -2.669 3.430 11.470 715 H SER 94 H SER 94 -1.504 1.131 9.312 716 HA SER 94 HA SER 94 0.070 -0.070 11.357 717 HB2 SER 94 HB2 SER 94 -0.987 -0.881 8.725 718 HB3 SER 94 HB3 SER 94 0.477 -1.696 9.265 719 HG SER 94 HG SER 94 -2.102 -1.959 10.133 720 H THR 95 H THR 95 2.134 0.332 11.726 721 HA THR 95 HA THR 95 3.805 1.586 9.768 722 HB THR 95 HB THR 95 5.458 0.805 11.843 723 HG1 THR 95 HG1 THR 95 3.708 0.068 13.071 724 HG21 THR 95 HG21 THR 95 3.821 3.330 11.586 725 HG22 THR 95 HG22 THR 95 5.359 3.013 10.782 726 HG23 THR 95 HG23 THR 95 5.293 3.144 12.541 727 H ILE 96 H ILE 96 5.434 0.798 8.633 728 HA ILE 96 HA ILE 96 6.196 -2.021 8.909 729 HB ILE 96 HB ILE 96 5.469 -0.522 6.422 730 HG12 ILE 96 HG12 ILE 96 4.627 -2.913 5.863 731 HG13 ILE 96 HG13 ILE 96 4.837 -3.212 7.585 732 HG21 ILE 96 HG21 ILE 96 7.394 -2.823 6.525 733 HG22 ILE 96 HG22 ILE 96 7.708 -1.190 5.933 734 HG23 ILE 96 HG23 ILE 96 6.591 -2.247 5.066 735 HD11 ILE 96 HD11 ILE 96 3.291 -1.394 8.094 736 HD12 ILE 96 HD12 ILE 96 2.543 -2.620 7.071 737 HD13 ILE 96 HD13 ILE 96 3.078 -1.093 6.369 738 HA PRO 97 HA PRO 97 10.050 0.079 9.501 739 HB2 PRO 97 HB2 PRO 97 11.496 -2.413 9.345 740 HB3 PRO 97 HB3 PRO 97 11.094 -1.464 10.776 741 HG2 PRO 97 HG2 PRO 97 10.028 -3.933 10.164 742 HG3 PRO 97 HG3 PRO 97 9.289 -2.750 11.259 743 HD2 PRO 97 HD2 PRO 97 8.604 -3.435 8.449 744 HD3 PRO 97 HD3 PRO 97 7.556 -2.905 9.779 745 H ILE 98 H ILE 98 11.329 1.067 8.221 746 HA ILE 98 HA ILE 98 11.858 0.047 5.556 747 HB ILE 98 HB ILE 98 12.285 2.753 6.814 748 HG12 ILE 98 HG12 ILE 98 9.955 2.169 6.356 749 HG13 ILE 98 HG13 ILE 98 10.508 3.445 5.276 750 HG21 ILE 98 HG21 ILE 98 14.039 2.434 5.216 751 HG22 ILE 98 HG22 ILE 98 12.832 3.515 4.517 752 HG23 ILE 98 HG23 ILE 98 12.896 1.825 4.017 753 HD11 ILE 98 HD11 ILE 98 10.429 0.545 4.513 754 HD12 ILE 98 HD12 ILE 98 10.680 1.934 3.455 755 HD13 ILE 98 HD13 ILE 98 9.106 1.675 4.225 756 H HIS 99 H HIS 99 13.734 -0.541 4.844 757 HA HIS 99 HA HIS 99 16.147 -0.077 6.471 758 HB2 HIS 99 HB2 HIS 99 15.639 -2.578 4.874 759 HB3 HIS 99 HB3 HIS 99 17.002 -2.263 5.922 760 HD1 HIS 99 HD1 HIS 99 16.772 -2.943 8.331 761 HD2 HIS 99 HD2 HIS 99 13.155 -3.037 6.285 762 HE1 HIS 99 HE1 HIS 99 15.137 -4.027 9.899 763 HE2 HIS 99 HE2 HIS 99 13.023 -4.275 8.548 764 H GLY 100 H GLY 100 18.136 -0.628 4.870 765 HA2 GLY 100 HA2 GLY 100 17.928 -0.496 2.151 766 HA3 GLY 100 HA3 GLY 100 17.779 1.176 2.660 767 H ASP 101 H ASP 101 19.887 -1.203 1.724 768 HA ASP 101 HA ASP 101 22.183 0.211 2.898 769 HB2 ASP 101 HB2 ASP 101 22.009 -2.346 3.025 770 HB3 ASP 101 HB3 ASP 101 22.301 -2.343 1.288 771 H ASN 102 H ASN 102 21.101 -1.187 -0.191 772 HA ASN 102 HA ASN 102 22.389 1.089 -1.525 773 HB2 ASN 102 HB2 ASN 102 21.930 -1.693 -2.611 774 HB3 ASN 102 HB3 ASN 102 22.462 -0.336 -3.593 775 HD21 ASN 102 HD21 ASN 102 24.534 0.506 -3.260 776 HD22 ASN 102 HD22 ASN 102 25.757 -0.405 -2.447 777 HA PRO 103 HA PRO 103 18.014 1.005 -3.318 778 HB2 PRO 103 HB2 PRO 103 16.463 -1.112 -3.367 779 HB3 PRO 103 HB3 PRO 103 17.900 -1.097 -4.400 780 HG2 PRO 103 HG2 PRO 103 17.514 -2.392 -1.726 781 HG3 PRO 103 HG3 PRO 103 18.200 -3.086 -3.207 782 HD2 PRO 103 HD2 PRO 103 19.698 -2.008 -1.183 783 HD3 PRO 103 HD3 PRO 103 20.238 -2.125 -2.861 784 H LEU 104 H LEU 104 15.715 1.158 -2.477 785 HA LEU 104 HA LEU 104 15.650 1.401 0.375 786 HB2 LEU 104 HB2 LEU 104 14.344 2.835 -1.271 787 HB3 LEU 104 HB3 LEU 104 13.298 1.445 -1.483 788 HG LEU 104 HG LEU 104 12.883 1.531 1.021 789 HD11 LEU 104 HD11 LEU 104 14.131 4.253 0.681 790 HD12 LEU 104 HD12 LEU 104 14.764 2.927 1.660 791 HD13 LEU 104 HD13 LEU 104 13.239 3.703 2.102 792 HD21 LEU 104 HD21 LEU 104 11.230 3.330 0.799 793 HD22 LEU 104 HD22 LEU 104 11.227 2.230 -0.578 794 HD23 LEU 104 HD23 LEU 104 11.988 3.818 -0.718 795 H GLU 105 H GLU 105 14.142 0.273 1.743 796 HA GLU 105 HA GLU 105 13.491 -2.429 0.837 797 HB2 GLU 105 HB2 GLU 105 15.191 -1.784 3.249 798 HB3 GLU 105 HB3 GLU 105 14.569 -3.380 2.860 799 HG2 GLU 105 HG2 GLU 105 16.079 -2.092 0.708 800 HG3 GLU 105 HG3 GLU 105 17.014 -2.445 2.161 801 H VAL 106 H VAL 106 11.410 -2.486 1.195 802 HA VAL 106 HA VAL 106 10.328 -1.333 3.671 803 HB VAL 106 HB VAL 106 9.231 -0.093 2.099 804 HG11 VAL 106 HG11 VAL 106 10.456 -0.956 0.200 805 HG12 VAL 106 HG12 VAL 106 8.743 -0.815 -0.198 806 HG13 VAL 106 HG13 VAL 106 9.435 -2.396 0.170 807 HG21 VAL 106 HG21 VAL 106 7.611 -2.634 2.056 808 HG22 VAL 106 HG22 VAL 106 7.040 -1.088 1.430 809 HG23 VAL 106 HG23 VAL 106 7.413 -1.262 3.149 810 H LYS 107 H LYS 107 9.411 -2.743 5.074 811 HA LYS 107 HA LYS 107 8.828 -4.704 6.022 812 HB2 LYS 107 HB2 LYS 107 7.014 -5.950 4.996 813 HB3 LYS 107 HB3 LYS 107 6.737 -4.232 4.808 814 HG2 LYS 107 HG2 LYS 107 7.789 -4.592 2.454 815 HG3 LYS 107 HG3 LYS 107 7.403 -6.284 2.749 816 HD2 LYS 107 HD2 LYS 107 5.420 -4.016 2.880 817 HD3 LYS 107 HD3 LYS 107 5.639 -5.085 1.494 818 HE2 LYS 107 HE2 LYS 107 4.871 -5.979 4.263 819 HE3 LYS 107 HE3 LYS 107 3.737 -5.719 2.942 820 HZ1 LYS 107 HZ1 LYS 107 4.425 -8.065 3.271 821 HZ2 LYS 107 HZ2 LYS 107 5.993 -7.645 2.808 822 HZ3 LYS 107 HZ3 LYS 107 4.709 -7.486 1.705 823 H ASN 108 H ASN 108 8.292 -7.157 4.146 824 HA ASN 108 HA ASN 108 11.063 -8.043 4.130 825 HB2 ASN 108 HB2 ASN 108 10.123 -10.266 3.611 826 HB3 ASN 108 HB3 ASN 108 9.397 -9.572 5.055 827 HD21 ASN 108 HD21 ASN 108 8.400 -11.645 3.289 828 HD22 ASN 108 HD22 ASN 108 6.867 -11.091 2.715 829 H ALA 109 H ALA 109 10.236 -5.993 2.296 830 HA ALA 109 HA ALA 109 10.558 -7.381 -0.280 831 HB1 ALA 109 HB1 ALA 109 9.024 -4.818 0.130 832 HB2 ALA 109 HB2 ALA 109 8.270 -6.419 0.109 833 HB3 ALA 109 HB3 ALA 109 9.100 -5.814 -1.327 834 H THR 110 H THR 110 11.577 -6.056 -1.947 835 HA THR 110 HA THR 110 13.434 -4.079 -0.896 836 HB THR 110 HB THR 110 14.078 -6.177 -2.982 837 HG1 THR 110 HG1 THR 110 14.899 -5.955 -0.242 838 HG21 THR 110 HG21 THR 110 15.332 -4.110 -3.286 839 HG22 THR 110 HG22 THR 110 16.398 -5.380 -2.682 840 HG23 THR 110 HG23 THR 110 15.811 -4.126 -1.589 841 H VAL 111 H VAL 111 13.695 -2.323 -2.182 842 HA VAL 111 HA VAL 111 11.709 -1.993 -4.234 843 HB VAL 111 HB VAL 111 13.629 -0.181 -2.864 844 HG11 VAL 111 HG11 VAL 111 13.029 1.648 -4.335 845 HG12 VAL 111 HG12 VAL 111 12.066 0.558 -5.329 846 HG13 VAL 111 HG13 VAL 111 13.817 0.367 -5.252 847 HG21 VAL 111 HG21 VAL 111 11.554 1.083 -2.435 848 HG22 VAL 111 HG22 VAL 111 11.480 -0.574 -1.835 849 HG23 VAL 111 HG23 VAL 111 10.655 -0.141 -3.332 850 H LEU 112 H LEU 112 11.952 -2.284 -6.288 851 HA LEU 112 HA LEU 112 14.562 -2.716 -7.457 852 HB2 LEU 112 HB2 LEU 112 11.769 -2.955 -8.548 853 HB3 LEU 112 HB3 LEU 112 13.196 -3.152 -9.542 854 HG LEU 112 HG LEU 112 13.838 -4.980 -7.793 855 HD11 LEU 112 HD11 LEU 112 10.965 -5.463 -7.502 856 HD12 LEU 112 HD12 LEU 112 11.585 -4.046 -6.629 857 HD13 LEU 112 HD13 LEU 112 12.285 -5.645 -6.319 858 HD21 LEU 112 HD21 LEU 112 11.603 -5.369 -9.784 859 HD22 LEU 112 HD22 LEU 112 12.590 -6.651 -9.085 860 HD23 LEU 112 HD23 LEU 112 13.331 -5.440 -10.133 861 H ALA 113 H ALA 113 11.894 -0.481 -7.503 862 HA ALA 113 HA ALA 113 13.584 1.644 -8.503 863 HB1 ALA 113 HB1 ALA 113 12.831 0.636 -10.599 864 HB2 ALA 113 HB2 ALA 113 12.129 2.240 -10.379 865 HB3 ALA 113 HB3 ALA 113 11.153 0.802 -10.080 866 H ALA 114 H ALA 114 13.136 3.248 -7.084 867 HA ALA 114 HA ALA 114 10.332 3.810 -6.479 868 HB1 ALA 114 HB1 ALA 114 11.040 4.244 -4.109 869 HB2 ALA 114 HB2 ALA 114 12.577 3.479 -4.513 870 HB3 ALA 114 HB3 ALA 114 11.078 2.549 -4.592 871 H ASP 115 H ASP 115 10.567 5.892 -4.866 872 HA ASP 115 HA ASP 115 10.945 8.130 -4.772 873 HB2 ASP 115 HB2 ASP 115 13.386 7.360 -4.861 874 HB3 ASP 115 HB3 ASP 115 13.334 7.654 -6.592 875 H ILE 116 H ILE 116 9.336 6.776 -6.607 876 HA ILE 116 HA ILE 116 9.454 8.187 -9.128 877 HB ILE 116 HB ILE 116 7.440 6.138 -8.230 878 HG12 ILE 116 HG12 ILE 116 10.148 5.685 -9.470 879 HG13 ILE 116 HG13 ILE 116 9.594 5.120 -7.912 880 HG21 ILE 116 HG21 ILE 116 7.127 5.739 -10.588 881 HG22 ILE 116 HG22 ILE 116 8.414 6.882 -10.974 882 HG23 ILE 116 HG23 ILE 116 6.915 7.456 -10.235 883 HD11 ILE 116 HD11 ILE 116 9.654 3.330 -9.572 884 HD12 ILE 116 HD12 ILE 116 8.500 4.222 -10.565 885 HD13 ILE 116 HD13 ILE 116 8.019 3.623 -8.978 886 H GLU 117 H GLU 117 8.444 10.132 -9.126 887 HA GLU 117 HA GLU 117 6.365 10.833 -7.342 888 HB2 GLU 117 HB2 GLU 117 7.012 12.072 -10.021 889 HB3 GLU 117 HB3 GLU 117 6.043 12.793 -8.740 890 HG2 GLU 117 HG2 GLU 117 8.014 12.761 -7.272 891 HG3 GLU 117 HG3 GLU 117 8.967 12.117 -8.599 892 H ALA 118 H ALA 118 4.513 9.817 -7.291 893 HA ALA 118 HA ALA 118 3.499 8.406 -9.587 894 HB1 ALA 118 HB1 ALA 118 1.732 8.682 -7.254 895 HB2 ALA 118 HB2 ALA 118 3.302 7.944 -6.932 896 HB3 ALA 118 HB3 ALA 118 2.225 7.239 -8.146 897 H GLU 119 H GLU 119 0.988 8.495 -9.751 898 HA GLU 119 HA GLU 119 0.094 10.759 -10.990 899 HB2 GLU 119 HB2 GLU 119 -2.228 9.871 -10.236 900 HB3 GLU 119 HB3 GLU 119 -1.226 8.872 -11.278 901 HG2 GLU 119 HG2 GLU 119 -0.496 7.564 -9.369 902 HG3 GLU 119 HG3 GLU 119 -1.434 8.585 -8.276 903 H ASN 120 H ASN 120 -0.413 9.905 -7.567 904 HA ASN 120 HA ASN 120 -1.061 12.734 -7.083 905 HB2 ASN 120 HB2 ASN 120 -2.159 10.259 -5.763 906 HB3 ASN 120 HB3 ASN 120 -2.326 11.859 -5.052 907 HD21 ASN 120 HD21 ASN 120 -3.388 9.694 -7.510 908 HD22 ASN 120 HD22 ASN 120 -4.667 10.683 -8.125 909 H GLY 121 H GLY 121 1.136 10.228 -6.373 910 HA2 GLY 121 HA2 GLY 121 2.329 11.850 -4.267 911 HA3 GLY 121 HA3 GLY 121 1.822 10.248 -3.804 912 H ILE 122 H ILE 122 3.140 8.666 -4.084 913 HA ILE 122 HA ILE 122 5.470 8.907 -5.816 914 HB ILE 122 HB ILE 122 5.543 8.383 -2.852 915 HG12 ILE 122 HG12 ILE 122 5.564 10.762 -3.645 916 HG13 ILE 122 HG13 ILE 122 6.983 10.293 -2.709 917 HG21 ILE 122 HG21 ILE 122 6.966 6.780 -4.029 918 HG22 ILE 122 HG22 ILE 122 7.915 7.917 -3.071 919 HG23 ILE 122 HG23 ILE 122 7.808 8.114 -4.819 920 HD11 ILE 122 HD11 ILE 122 8.258 11.047 -4.359 921 HD12 ILE 122 HD12 ILE 122 6.815 11.310 -5.374 922 HD13 ILE 122 HD13 ILE 122 7.604 9.720 -5.372 923 H ILE 123 H ILE 123 6.371 6.927 -6.394 924 HA ILE 123 HA ILE 123 4.868 4.531 -5.517 925 HB ILE 123 HB ILE 123 5.893 5.135 -8.298 926 HG12 ILE 123 HG12 ILE 123 3.138 4.518 -7.243 927 HG13 ILE 123 HG13 ILE 123 3.733 6.125 -7.632 928 HG21 ILE 123 HG21 ILE 123 5.088 2.923 -8.951 929 HG22 ILE 123 HG22 ILE 123 4.687 2.566 -7.271 930 HG23 ILE 123 HG23 ILE 123 6.370 2.798 -7.745 931 HD11 ILE 123 HD11 ILE 123 2.363 5.377 -9.417 932 HD12 ILE 123 HD12 ILE 123 3.246 3.854 -9.534 933 HD13 ILE 123 HD13 ILE 123 4.034 5.368 -9.978 934 H HIS 124 H HIS 124 6.012 2.708 -5.043 935 HA HIS 124 HA HIS 124 8.896 2.701 -5.626 936 HB2 HIS 124 HB2 HIS 124 7.990 1.474 -3.057 937 HB3 HIS 124 HB3 HIS 124 9.572 2.059 -3.510 938 HD1 HIS 124 HD1 HIS 124 6.941 2.802 -1.306 939 HD2 HIS 124 HD2 HIS 124 9.420 5.128 -3.688 940 HE1 HIS 124 HE1 HIS 124 6.909 5.086 -0.277 941 HE2 HIS 124 HE2 HIS 124 8.290 6.516 -1.814 942 H VAL 125 H VAL 125 9.191 1.022 -6.913 943 HA VAL 125 HA VAL 125 7.400 -1.239 -6.950 944 HB VAL 125 HB VAL 125 10.025 -0.819 -8.399 945 HG11 VAL 125 HG11 VAL 125 9.142 -2.524 -9.966 946 HG12 VAL 125 HG12 VAL 125 7.810 -2.811 -8.846 947 HG13 VAL 125 HG13 VAL 125 9.470 -3.151 -8.351 948 HG21 VAL 125 HG21 VAL 125 8.397 0.917 -8.937 949 HG22 VAL 125 HG22 VAL 125 7.204 -0.321 -9.339 950 HG23 VAL 125 HG23 VAL 125 8.665 -0.156 -10.312 951 H ILE 126 H ILE 126 7.690 -3.168 -5.911 952 HA ILE 126 HA ILE 126 10.279 -3.607 -4.572 953 HB ILE 126 HB ILE 126 9.225 -4.404 -2.581 954 HG12 ILE 126 HG12 ILE 126 7.030 -4.932 -4.094 955 HG13 ILE 126 HG13 ILE 126 7.043 -4.933 -2.338 956 HG21 ILE 126 HG21 ILE 126 8.106 -1.713 -3.329 957 HG22 ILE 126 HG22 ILE 126 9.717 -2.039 -2.679 958 HG23 ILE 126 HG23 ILE 126 8.290 -2.346 -1.689 959 HD11 ILE 126 HD11 ILE 126 5.139 -3.723 -3.218 960 HD12 ILE 126 HD12 ILE 126 6.218 -2.633 -4.089 961 HD13 ILE 126 HD13 ILE 126 6.219 -2.655 -2.325 962 H ASP 127 H ASP 127 10.437 -5.753 -3.684 963 HA ASP 127 HA ASP 127 9.856 -7.567 -5.860 964 HB2 ASP 127 HB2 ASP 127 12.163 -7.151 -5.372 965 HB3 ASP 127 HB3 ASP 127 11.942 -7.566 -3.694 966 H THR 128 H THR 128 8.221 -6.846 -3.328 967 HA THR 128 HA THR 128 7.085 -9.433 -2.901 968 HB THR 128 HB THR 128 8.774 -8.211 -0.719 969 HG1 THR 128 HG1 THR 128 9.156 -10.195 -2.419 970 HG21 THR 128 HG21 THR 128 7.811 -9.998 0.760 971 HG22 THR 128 HG22 THR 128 6.552 -10.228 -0.456 972 HG23 THR 128 HG23 THR 128 6.718 -8.673 0.365 973 H VAL 129 H VAL 129 4.951 -9.045 -2.598 974 HA VAL 129 HA VAL 129 3.955 -6.423 -2.413 975 HB VAL 129 HB VAL 129 2.431 -9.012 -1.981 976 HG11 VAL 129 HG11 VAL 129 0.525 -7.754 -2.739 977 HG12 VAL 129 HG12 VAL 129 1.529 -6.337 -3.048 978 HG13 VAL 129 HG13 VAL 129 1.274 -6.891 -1.396 979 HG21 VAL 129 HG21 VAL 129 1.917 -8.700 -4.457 980 HG22 VAL 129 HG22 VAL 129 3.536 -9.269 -4.045 981 HG23 VAL 129 HG23 VAL 129 3.282 -7.586 -4.486 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -19.743 9.804 -8.727 2 H2 MET 1 H2 MET 1 -20.734 10.696 -9.761 3 H3 MET 1 H3 MET 1 -21.199 10.441 -8.158 4 HA MET 1 HA MET 1 -18.855 12.009 -9.051 5 HB2 MET 1 HB2 MET 1 -21.492 12.878 -7.847 6 HB3 MET 1 HB3 MET 1 -20.119 13.938 -8.128 7 HG2 MET 1 HG2 MET 1 -21.664 12.456 -10.239 8 HG3 MET 1 HG3 MET 1 -21.801 14.172 -9.866 9 HE1 MET 1 HE1 MET 1 -21.412 14.769 -12.390 10 HE2 MET 1 HE2 MET 1 -21.244 13.064 -12.810 11 HE3 MET 1 HE3 MET 1 -20.027 14.226 -13.337 12 H ALA 2 H ALA 2 -18.053 10.151 -7.494 13 HA ALA 2 HA ALA 2 -17.809 11.348 -4.851 14 HB1 ALA 2 HB1 ALA 2 -18.349 9.265 -3.703 15 HB2 ALA 2 HB2 ALA 2 -18.715 8.499 -5.248 16 HB3 ALA 2 HB3 ALA 2 -19.721 9.823 -4.661 17 H THR 3 H THR 3 -16.162 10.141 -3.538 18 HA THR 3 HA THR 3 -13.783 9.742 -5.044 19 HB THR 3 HB THR 3 -14.336 9.072 -2.145 20 HG1 THR 3 HG1 THR 3 -12.984 11.373 -2.532 21 HG21 THR 3 HG21 THR 3 -11.735 9.734 -3.525 22 HG22 THR 3 HG22 THR 3 -12.250 8.114 -3.058 23 HG23 THR 3 HG23 THR 3 -11.951 9.334 -1.819 24 H ILE 4 H ILE 4 -12.641 7.847 -5.413 25 HA ILE 4 HA ILE 4 -14.114 5.635 -6.186 26 HB ILE 4 HB ILE 4 -11.813 4.455 -6.248 27 HG12 ILE 4 HG12 ILE 4 -9.947 6.191 -6.414 28 HG13 ILE 4 HG13 ILE 4 -11.016 7.289 -5.555 29 HG21 ILE 4 HG21 ILE 4 -11.238 5.674 -8.300 30 HG22 ILE 4 HG22 ILE 4 -12.375 6.944 -7.849 31 HG23 ILE 4 HG23 ILE 4 -12.961 5.317 -8.193 32 HD11 ILE 4 HD11 ILE 4 -9.373 6.219 -4.092 33 HD12 ILE 4 HD12 ILE 4 -10.047 4.642 -4.504 34 HD13 ILE 4 HD13 ILE 4 -11.031 5.823 -3.638 35 H VAL 5 H VAL 5 -12.767 6.281 -3.068 36 HA VAL 5 HA VAL 5 -13.199 3.548 -2.178 37 HB VAL 5 HB VAL 5 -11.273 4.489 -1.177 38 HG11 VAL 5 HG11 VAL 5 -11.302 6.619 0.076 39 HG12 VAL 5 HG12 VAL 5 -12.942 6.892 -0.529 40 HG13 VAL 5 HG13 VAL 5 -11.584 6.809 -1.657 41 HG21 VAL 5 HG21 VAL 5 -11.873 4.640 1.218 42 HG22 VAL 5 HG22 VAL 5 -12.553 3.242 0.385 43 HG23 VAL 5 HG23 VAL 5 -13.565 4.646 0.722 44 H ASP 6 H ASP 6 -14.547 6.750 -1.877 45 HA ASP 6 HA ASP 6 -16.371 6.353 0.181 46 HB2 ASP 6 HB2 ASP 6 -15.782 8.534 -0.942 47 HB3 ASP 6 HB3 ASP 6 -16.837 8.066 -2.259 48 H ILE 7 H ILE 7 -16.720 5.992 -3.296 49 HA ILE 7 HA ILE 7 -19.355 5.134 -3.377 50 HB ILE 7 HB ILE 7 -17.183 4.135 -5.210 51 HG12 ILE 7 HG12 ILE 7 -18.867 6.566 -5.703 52 HG13 ILE 7 HG13 ILE 7 -17.409 6.698 -4.733 53 HG21 ILE 7 HG21 ILE 7 -20.160 4.539 -5.566 54 HG22 ILE 7 HG22 ILE 7 -19.316 2.992 -5.484 55 HG23 ILE 7 HG23 ILE 7 -19.043 4.076 -6.851 56 HD11 ILE 7 HD11 ILE 7 -17.496 5.636 -7.541 57 HD12 ILE 7 HD12 ILE 7 -16.062 5.929 -6.552 58 HD13 ILE 7 HD13 ILE 7 -17.059 7.283 -7.084 59 H ALA 8 H ALA 8 -16.523 3.387 -2.336 60 HA ALA 8 HA ALA 8 -17.477 0.763 -2.696 61 HB1 ALA 8 HB1 ALA 8 -15.807 0.086 -1.060 62 HB2 ALA 8 HB2 ALA 8 -15.585 1.766 -0.573 63 HB3 ALA 8 HB3 ALA 8 -15.132 1.251 -2.198 64 H VAL 9 H VAL 9 -18.056 3.141 -0.158 65 HA VAL 9 HA VAL 9 -19.667 1.220 1.325 66 HB VAL 9 HB VAL 9 -18.203 2.957 2.468 67 HG11 VAL 9 HG11 VAL 9 -19.157 5.179 2.811 68 HG12 VAL 9 HG12 VAL 9 -20.439 4.804 1.658 69 HG13 VAL 9 HG13 VAL 9 -18.762 4.887 1.117 70 HG21 VAL 9 HG21 VAL 9 -19.847 3.374 4.265 71 HG22 VAL 9 HG22 VAL 9 -19.834 1.700 3.712 72 HG23 VAL 9 HG23 VAL 9 -21.122 2.790 3.196 73 H ASN 10 H ASN 10 -20.056 3.392 -1.218 74 HA ASN 10 HA ASN 10 -22.875 3.921 -0.717 75 HB2 ASN 10 HB2 ASN 10 -21.076 4.694 -3.015 76 HB3 ASN 10 HB3 ASN 10 -22.732 5.207 -2.836 77 HD21 ASN 10 HD21 ASN 10 -20.449 6.836 -3.075 78 HD22 ASN 10 HD22 ASN 10 -20.323 7.774 -1.632 79 H THR 11 H THR 11 -20.964 1.570 -2.200 80 HA THR 11 HA THR 11 -22.347 0.994 -4.538 81 HB THR 11 HB THR 11 -21.438 -1.364 -4.192 82 HG1 THR 11 HG1 THR 11 -19.705 -0.283 -2.288 83 HG21 THR 11 HG21 THR 11 -19.154 -0.657 -4.744 84 HG22 THR 11 HG22 THR 11 -19.545 0.983 -4.229 85 HG23 THR 11 HG23 THR 11 -20.362 0.277 -5.625 86 HA PRO 12 HA PRO 12 -25.992 -1.036 -2.975 87 HB2 PRO 12 HB2 PRO 12 -26.496 -1.963 -5.678 88 HB3 PRO 12 HB3 PRO 12 -27.354 -0.731 -4.760 89 HG2 PRO 12 HG2 PRO 12 -25.831 -0.157 -6.930 90 HG3 PRO 12 HG3 PRO 12 -26.077 0.977 -5.592 91 HD2 PRO 12 HD2 PRO 12 -23.765 -0.842 -6.138 92 HD3 PRO 12 HD3 PRO 12 -23.767 0.856 -5.621 93 H GLY 13 H GLY 13 -24.075 -2.494 -2.140 94 HA2 GLY 13 HA2 GLY 13 -23.610 -4.676 -1.568 95 HA3 GLY 13 HA3 GLY 13 -24.949 -5.173 -2.591 96 H PHE 14 H PHE 14 -21.962 -3.433 -3.362 97 HA PHE 14 HA PHE 14 -21.478 -4.910 -5.720 98 HB2 PHE 14 HB2 PHE 14 -20.303 -2.693 -4.432 99 HB3 PHE 14 HB3 PHE 14 -19.019 -3.869 -4.675 100 HD1 PHE 14 HD1 PHE 14 -21.804 -2.202 -6.497 101 HD2 PHE 14 HD2 PHE 14 -17.938 -3.967 -6.703 102 HE1 PHE 14 HE1 PHE 14 -21.621 -1.516 -8.850 103 HE2 PHE 14 HE2 PHE 14 -17.747 -3.281 -9.056 104 HZ PHE 14 HZ PHE 14 -19.589 -2.056 -10.133 105 H SER 15 H SER 15 -18.978 -5.717 -5.866 106 HA SER 15 HA SER 15 -18.961 -8.272 -4.721 107 HB2 SER 15 HB2 SER 15 -16.586 -6.757 -5.821 108 HB3 SER 15 HB3 SER 15 -16.802 -8.507 -5.756 109 HG SER 15 HG SER 15 -17.272 -7.730 -7.831 110 H THR 16 H THR 16 -17.092 -9.122 -3.414 111 HA THR 16 HA THR 16 -17.140 -7.910 -0.881 112 HB THR 16 HB THR 16 -15.154 -9.992 -1.813 113 HG1 THR 16 HG1 THR 16 -16.780 -11.342 -1.942 114 HG21 THR 16 HG21 THR 16 -15.244 -10.751 0.512 115 HG22 THR 16 HG22 THR 16 -16.388 -9.465 0.897 116 HG23 THR 16 HG23 THR 16 -14.737 -9.064 0.427 117 H LEU 17 H LEU 17 -15.069 -7.420 -3.579 118 HA LEU 17 HA LEU 17 -12.751 -6.463 -2.422 119 HB2 LEU 17 HB2 LEU 17 -14.222 -5.444 -4.848 120 HB3 LEU 17 HB3 LEU 17 -12.600 -4.946 -4.410 121 HG LEU 17 HG LEU 17 -13.419 -7.771 -5.083 122 HD11 LEU 17 HD11 LEU 17 -12.148 -7.410 -7.147 123 HD12 LEU 17 HD12 LEU 17 -11.913 -5.721 -6.697 124 HD13 LEU 17 HD13 LEU 17 -13.535 -6.327 -7.030 125 HD21 LEU 17 HD21 LEU 17 -10.706 -6.552 -4.586 126 HD22 LEU 17 HD22 LEU 17 -11.007 -8.203 -5.129 127 HD23 LEU 17 HD23 LEU 17 -11.545 -7.688 -3.531 128 H VAL 18 H VAL 18 -15.910 -4.889 -2.680 129 HA VAL 18 HA VAL 18 -14.826 -2.338 -1.780 130 HB VAL 18 HB VAL 18 -16.963 -1.411 -2.026 131 HG11 VAL 18 HG11 VAL 18 -17.743 -2.167 -4.227 132 HG12 VAL 18 HG12 VAL 18 -16.728 -3.602 -4.073 133 HG13 VAL 18 HG13 VAL 18 -15.990 -2.001 -4.151 134 HG21 VAL 18 HG21 VAL 18 -18.155 -4.186 -1.990 135 HG22 VAL 18 HG22 VAL 18 -19.049 -2.678 -2.203 136 HG23 VAL 18 HG23 VAL 18 -18.227 -3.011 -0.669 137 H THR 19 H THR 19 -16.325 -5.146 -0.477 138 HA THR 19 HA THR 19 -16.988 -3.938 2.028 139 HB THR 19 HB THR 19 -16.735 -6.888 1.739 140 HG1 THR 19 HG1 THR 19 -19.049 -5.541 0.799 141 HG21 THR 19 HG21 THR 19 -18.845 -6.757 3.073 142 HG22 THR 19 HG22 THR 19 -18.675 -4.999 3.073 143 HG23 THR 19 HG23 THR 19 -17.458 -6.004 3.861 144 H ALA 20 H ALA 20 -14.280 -5.536 0.640 145 HA ALA 20 HA ALA 20 -12.980 -6.387 2.971 146 HB1 ALA 20 HB1 ALA 20 -11.077 -6.713 1.609 147 HB2 ALA 20 HB2 ALA 20 -11.680 -5.576 0.406 148 HB3 ALA 20 HB3 ALA 20 -12.500 -7.116 0.650 149 H VAL 21 H VAL 21 -12.736 -3.291 1.217 150 HA VAL 21 HA VAL 21 -10.971 -2.177 3.200 151 HB VAL 21 HB VAL 21 -10.787 -1.033 1.171 152 HG11 VAL 21 HG11 VAL 21 -12.796 -1.874 0.065 153 HG12 VAL 21 HG12 VAL 21 -12.708 -0.119 -0.090 154 HG13 VAL 21 HG13 VAL 21 -13.806 -0.845 1.082 155 HG21 VAL 21 HG21 VAL 21 -10.857 0.533 2.996 156 HG22 VAL 21 HG22 VAL 21 -12.625 0.561 2.946 157 HG23 VAL 21 HG23 VAL 21 -11.691 1.243 1.607 158 H LYS 22 H LYS 22 -14.447 -2.293 2.711 159 HA LYS 22 HA LYS 22 -15.213 -0.395 4.616 160 HB2 LYS 22 HB2 LYS 22 -16.505 -2.574 3.141 161 HB3 LYS 22 HB3 LYS 22 -17.263 -2.233 4.680 162 HG2 LYS 22 HG2 LYS 22 -17.336 0.165 3.922 163 HG3 LYS 22 HG3 LYS 22 -16.903 -0.412 2.327 164 HD2 LYS 22 HD2 LYS 22 -19.283 -1.375 3.878 165 HD3 LYS 22 HD3 LYS 22 -19.327 -0.089 2.681 166 HE2 LYS 22 HE2 LYS 22 -18.656 -1.601 0.945 167 HE3 LYS 22 HE3 LYS 22 -18.401 -2.887 2.104 168 HZ1 LYS 22 HZ1 LYS 22 -20.801 -2.760 2.629 169 HZ2 LYS 22 HZ2 LYS 22 -20.481 -3.236 1.042 170 HZ3 LYS 22 HZ3 LYS 22 -20.985 -1.659 1.360 171 H VAL 23 H VAL 23 -14.627 -3.843 4.855 172 HA VAL 23 HA VAL 23 -15.386 -4.022 7.621 173 HB VAL 23 HB VAL 23 -15.599 -5.963 6.133 174 HG11 VAL 23 HG11 VAL 23 -13.648 -7.178 5.345 175 HG12 VAL 23 HG12 VAL 23 -12.582 -5.965 6.058 176 HG13 VAL 23 HG13 VAL 23 -13.644 -5.525 4.715 177 HG21 VAL 23 HG21 VAL 23 -13.565 -6.392 8.306 178 HG22 VAL 23 HG22 VAL 23 -14.638 -7.618 7.625 179 HG23 VAL 23 HG23 VAL 23 -15.307 -6.269 8.547 180 H ALA 24 H ALA 24 -12.457 -3.630 5.800 181 HA ALA 24 HA ALA 24 -10.647 -4.050 7.952 182 HB1 ALA 24 HB1 ALA 24 -10.109 -2.548 5.425 183 HB2 ALA 24 HB2 ALA 24 -10.121 -4.306 5.535 184 HB3 ALA 24 HB3 ALA 24 -8.951 -3.369 6.467 185 H ASN 25 H ASN 25 -12.777 -1.618 7.416 186 HA ASN 25 HA ASN 25 -13.170 0.373 8.312 187 HB2 ASN 25 HB2 ASN 25 -12.420 0.793 10.413 188 HB3 ASN 25 HB3 ASN 25 -11.989 -0.897 10.268 189 HD21 ASN 25 HD21 ASN 25 -10.642 2.376 10.075 190 HD22 ASN 25 HD22 ASN 25 -9.037 1.916 10.533 191 H LEU 26 H LEU 26 -10.958 -0.091 6.138 192 HA LEU 26 HA LEU 26 -9.632 2.482 6.311 193 HB2 LEU 26 HB2 LEU 26 -9.288 0.090 4.619 194 HB3 LEU 26 HB3 LEU 26 -8.797 1.637 3.951 195 HG LEU 26 HG LEU 26 -7.389 1.967 6.033 196 HD11 LEU 26 HD11 LEU 26 -8.341 -0.815 6.458 197 HD12 LEU 26 HD12 LEU 26 -8.129 0.497 7.620 198 HD13 LEU 26 HD13 LEU 26 -6.725 -0.359 6.979 199 HD21 LEU 26 HD21 LEU 26 -5.609 0.413 5.216 200 HD22 LEU 26 HD22 LEU 26 -6.323 1.444 3.976 201 HD23 LEU 26 HD23 LEU 26 -6.802 -0.258 4.092 202 H VAL 27 H VAL 27 -12.609 1.720 5.450 203 HA VAL 27 HA VAL 27 -12.991 2.867 2.932 204 HB VAL 27 HB VAL 27 -14.650 2.011 5.081 205 HG11 VAL 27 HG11 VAL 27 -15.088 4.334 5.617 206 HG12 VAL 27 HG12 VAL 27 -16.522 3.586 4.907 207 HG13 VAL 27 HG13 VAL 27 -15.515 4.659 3.935 208 HG21 VAL 27 HG21 VAL 27 -15.195 2.685 2.195 209 HG22 VAL 27 HG22 VAL 27 -16.338 1.857 3.252 210 HG23 VAL 27 HG23 VAL 27 -14.790 1.099 2.872 211 H GLU 28 H GLU 28 -12.706 4.282 6.102 212 HA GLU 28 HA GLU 28 -13.038 6.972 5.111 213 HB2 GLU 28 HB2 GLU 28 -12.391 7.535 7.524 214 HB3 GLU 28 HB3 GLU 28 -13.915 6.717 7.227 215 HG2 GLU 28 HG2 GLU 28 -12.920 4.593 7.842 216 HG3 GLU 28 HG3 GLU 28 -11.366 5.388 8.114 217 H ALA 29 H ALA 29 -10.422 4.813 5.433 218 HA ALA 29 HA ALA 29 -8.418 6.776 5.939 219 HB1 ALA 29 HB1 ALA 29 -6.846 5.012 5.876 220 HB2 ALA 29 HB2 ALA 29 -7.956 3.964 4.995 221 HB3 ALA 29 HB3 ALA 29 -8.285 4.382 6.679 222 H LEU 30 H LEU 30 -8.946 4.578 3.194 223 HA LEU 30 HA LEU 30 -7.276 5.631 1.315 224 HB2 LEU 30 HB2 LEU 30 -10.022 4.745 0.568 225 HB3 LEU 30 HB3 LEU 30 -8.539 4.579 -0.343 226 HG LEU 30 HG LEU 30 -9.309 3.063 2.133 227 HD11 LEU 30 HD11 LEU 30 -10.452 2.367 0.113 228 HD12 LEU 30 HD12 LEU 30 -9.286 1.145 0.621 229 HD13 LEU 30 HD13 LEU 30 -8.908 2.224 -0.723 230 HD21 LEU 30 HD21 LEU 30 -7.258 1.781 1.784 231 HD22 LEU 30 HD22 LEU 30 -6.928 3.472 2.176 232 HD23 LEU 30 HD23 LEU 30 -6.780 2.908 0.510 233 H GLN 31 H GLN 31 -9.903 7.268 2.634 234 HA GLN 31 HA GLN 31 -10.978 8.667 0.433 235 HB2 GLN 31 HB2 GLN 31 -10.977 9.389 3.362 236 HB3 GLN 31 HB3 GLN 31 -12.002 10.120 2.131 237 HG2 GLN 31 HG2 GLN 31 -12.031 7.177 2.516 238 HG3 GLN 31 HG3 GLN 31 -12.900 8.214 3.629 239 HE21 GLN 31 HE21 GLN 31 -13.620 6.229 1.488 240 HE22 GLN 31 HE22 GLN 31 -14.878 7.048 0.636 241 H SER 32 H SER 32 -7.960 8.944 1.698 242 HA SER 32 HA SER 32 -7.463 11.646 2.034 243 HB2 SER 32 HB2 SER 32 -5.106 10.991 1.220 244 HB3 SER 32 HB3 SER 32 -5.746 10.167 2.641 245 HG SER 32 HG SER 32 -5.892 9.163 -0.012 246 HA PRO 33 HA PRO 33 -8.067 12.976 -2.245 247 HB2 PRO 33 HB2 PRO 33 -8.426 15.580 -1.686 248 HB3 PRO 33 HB3 PRO 33 -9.706 14.388 -1.432 249 HG2 PRO 33 HG2 PRO 33 -7.886 15.673 0.550 250 HG3 PRO 33 HG3 PRO 33 -9.596 15.241 0.712 251 HD2 PRO 33 HD2 PRO 33 -7.481 13.761 1.713 252 HD3 PRO 33 HD3 PRO 33 -9.104 13.124 1.392 253 H GLY 34 H GLY 34 -5.782 13.899 0.150 254 HA2 GLY 34 HA2 GLY 34 -4.203 15.634 -1.496 255 HA3 GLY 34 HA3 GLY 34 -3.744 14.970 0.066 256 HA PRO 35 HA PRO 35 -1.043 12.825 -2.786 257 HB2 PRO 35 HB2 PRO 35 0.930 12.294 -1.022 258 HB3 PRO 35 HB3 PRO 35 0.728 13.853 -1.824 259 HG2 PRO 35 HG2 PRO 35 0.187 13.086 0.959 260 HG3 PRO 35 HG3 PRO 35 0.554 14.675 0.285 261 HD2 PRO 35 HD2 PRO 35 -1.991 13.691 1.030 262 HD3 PRO 35 HD3 PRO 35 -1.634 15.197 0.170 263 H PHE 36 H PHE 36 -0.075 10.703 -2.942 264 HA PHE 36 HA PHE 36 -1.352 8.650 -1.334 265 HB2 PHE 36 HB2 PHE 36 -3.087 8.566 -2.750 266 HB3 PHE 36 HB3 PHE 36 -2.310 9.650 -3.885 267 HD1 PHE 36 HD1 PHE 36 -0.407 8.311 -5.360 268 HD2 PHE 36 HD2 PHE 36 -3.881 6.647 -3.555 269 HE1 PHE 36 HE1 PHE 36 -0.414 6.509 -7.034 270 HE2 PHE 36 HE2 PHE 36 -3.901 4.855 -5.234 271 HZ PHE 36 HZ PHE 36 -2.166 4.782 -6.975 272 H THR 37 H THR 37 0.035 7.056 -1.007 273 HA THR 37 HA THR 37 2.410 6.915 -2.737 274 HB THR 37 HB THR 37 2.181 6.648 0.277 275 HG1 THR 37 HG1 THR 37 2.937 8.630 0.236 276 HG21 THR 37 HG21 THR 37 3.746 4.973 -0.607 277 HG22 THR 37 HG22 THR 37 4.596 6.250 0.266 278 HG23 THR 37 HG23 THR 37 4.597 6.235 -1.500 279 H VAL 38 H VAL 38 2.811 5.009 -3.652 280 HA VAL 38 HA VAL 38 1.347 2.663 -2.616 281 HB VAL 38 HB VAL 38 1.958 3.388 -5.483 282 HG11 VAL 38 HG11 VAL 38 2.213 0.980 -5.164 283 HG12 VAL 38 HG12 VAL 38 0.776 1.349 -6.117 284 HG13 VAL 38 HG13 VAL 38 0.617 0.907 -4.417 285 HG21 VAL 38 HG21 VAL 38 -0.650 3.066 -4.017 286 HG22 VAL 38 HG22 VAL 38 -0.469 3.429 -5.733 287 HG23 VAL 38 HG23 VAL 38 0.077 4.591 -4.523 288 H PHE 39 H PHE 39 2.389 0.766 -2.418 289 HA PHE 39 HA PHE 39 5.191 0.610 -3.293 290 HB2 PHE 39 HB2 PHE 39 3.676 -1.094 -1.290 291 HB3 PHE 39 HB3 PHE 39 5.356 -1.335 -1.751 292 HD1 PHE 39 HD1 PHE 39 7.063 0.328 -1.119 293 HD2 PHE 39 HD2 PHE 39 3.048 0.581 0.273 294 HE1 PHE 39 HE1 PHE 39 7.778 1.882 0.648 295 HE2 PHE 39 HE2 PHE 39 3.756 2.138 2.043 296 HZ PHE 39 HZ PHE 39 6.122 2.791 2.232 297 H ALA 40 H ALA 40 5.399 -0.323 -5.225 298 HA ALA 40 HA ALA 40 3.158 -1.919 -6.236 299 HB1 ALA 40 HB1 ALA 40 4.040 -1.418 -8.457 300 HB2 ALA 40 HB2 ALA 40 5.410 -0.579 -7.728 301 HB3 ALA 40 HB3 ALA 40 3.777 0.057 -7.527 302 HA PRO 41 HA PRO 41 5.848 -5.478 -5.874 303 HB2 PRO 41 HB2 PRO 41 4.011 -7.320 -6.557 304 HB3 PRO 41 HB3 PRO 41 3.994 -6.515 -4.984 305 HG2 PRO 41 HG2 PRO 41 2.341 -5.961 -7.415 306 HG3 PRO 41 HG3 PRO 41 1.848 -6.011 -5.712 307 HD2 PRO 41 HD2 PRO 41 2.366 -3.699 -7.080 308 HD3 PRO 41 HD3 PRO 41 2.544 -3.867 -5.323 309 H ASN 42 H ASN 42 7.220 -6.364 -7.339 310 HA ASN 42 HA ASN 42 6.628 -6.069 -10.169 311 HB2 ASN 42 HB2 ASN 42 8.875 -6.506 -10.612 312 HB3 ASN 42 HB3 ASN 42 8.959 -5.763 -9.044 313 HD21 ASN 42 HD21 ASN 42 9.540 -6.939 -7.296 314 HD22 ASN 42 HD22 ASN 42 10.305 -8.488 -7.455 315 H ASP 43 H ASP 43 7.698 -8.209 -11.379 316 HA ASP 43 HA ASP 43 5.623 -10.065 -11.357 317 HB2 ASP 43 HB2 ASP 43 8.423 -10.209 -12.439 318 HB3 ASP 43 HB3 ASP 43 7.298 -11.552 -12.607 319 H ASP 44 H ASP 44 8.533 -9.996 -9.392 320 HA ASP 44 HA ASP 44 8.225 -12.811 -8.691 321 HB2 ASP 44 HB2 ASP 44 10.489 -11.732 -9.025 322 HB3 ASP 44 HB3 ASP 44 10.193 -10.862 -7.528 323 H ALA 45 H ALA 45 7.410 -9.699 -7.605 324 HA ALA 45 HA ALA 45 6.793 -10.462 -4.905 325 HB1 ALA 45 HB1 ALA 45 6.010 -8.028 -6.486 326 HB2 ALA 45 HB2 ALA 45 7.408 -8.175 -5.421 327 HB3 ALA 45 HB3 ALA 45 5.779 -8.251 -4.751 328 H PHE 46 H PHE 46 5.138 -10.024 -7.962 329 HA PHE 46 HA PHE 46 2.499 -10.613 -7.213 330 HB2 PHE 46 HB2 PHE 46 3.392 -9.800 -9.450 331 HB3 PHE 46 HB3 PHE 46 3.880 -11.453 -9.770 332 HD1 PHE 46 HD1 PHE 46 1.059 -9.155 -9.460 333 HD2 PHE 46 HD2 PHE 46 2.243 -13.163 -10.264 334 HE1 PHE 46 HE1 PHE 46 -1.170 -9.625 -10.383 335 HE2 PHE 46 HE2 PHE 46 0.013 -13.641 -11.186 336 HZ PHE 46 HZ PHE 46 -1.697 -11.869 -11.247 337 H ALA 47 H ALA 47 5.311 -12.466 -7.377 338 HA ALA 47 HA ALA 47 4.053 -15.059 -7.572 339 HB1 ALA 47 HB1 ALA 47 6.920 -14.218 -7.185 340 HB2 ALA 47 HB2 ALA 47 6.153 -14.722 -8.689 341 HB3 ALA 47 HB3 ALA 47 6.376 -15.887 -7.384 342 H LYS 48 H LYS 48 4.749 -12.828 -5.140 343 HA LYS 48 HA LYS 48 5.066 -14.776 -2.994 344 HB2 LYS 48 HB2 LYS 48 4.535 -11.860 -2.570 345 HB3 LYS 48 HB3 LYS 48 5.471 -12.976 -1.587 346 HG2 LYS 48 HG2 LYS 48 6.299 -12.049 -4.307 347 HG3 LYS 48 HG3 LYS 48 6.815 -11.287 -2.806 348 HD2 LYS 48 HD2 LYS 48 7.255 -14.186 -3.476 349 HD3 LYS 48 HD3 LYS 48 8.438 -12.909 -3.790 350 HE2 LYS 48 HE2 LYS 48 8.365 -12.356 -1.355 351 HE3 LYS 48 HE3 LYS 48 7.358 -13.785 -1.121 352 HZ1 LYS 48 HZ1 LYS 48 9.734 -14.184 -0.677 353 HZ2 LYS 48 HZ2 LYS 48 10.086 -13.830 -2.292 354 HZ3 LYS 48 HZ3 LYS 48 9.129 -15.170 -1.910 355 H LEU 49 H LEU 49 2.699 -12.852 -4.540 356 HA LEU 49 HA LEU 49 0.646 -12.521 -2.839 357 HB2 LEU 49 HB2 LEU 49 0.628 -13.326 -5.720 358 HB3 LEU 49 HB3 LEU 49 -0.843 -12.942 -4.852 359 HG LEU 49 HG LEU 49 1.491 -11.099 -5.329 360 HD11 LEU 49 HD11 LEU 49 0.045 -11.431 -7.267 361 HD12 LEU 49 HD12 LEU 49 -0.083 -9.796 -6.615 362 HD13 LEU 49 HD13 LEU 49 -1.354 -10.977 -6.292 363 HD21 LEU 49 HD21 LEU 49 -1.018 -10.723 -3.716 364 HD22 LEU 49 HD22 LEU 49 0.025 -9.402 -4.240 365 HD23 LEU 49 HD23 LEU 49 0.654 -10.644 -3.156 366 HA PRO 50 HA PRO 50 -0.991 -17.203 -3.961 367 HB2 PRO 50 HB2 PRO 50 1.772 -18.186 -3.347 368 HB3 PRO 50 HB3 PRO 50 0.513 -18.933 -4.335 369 HG2 PRO 50 HG2 PRO 50 2.557 -17.585 -5.438 370 HG3 PRO 50 HG3 PRO 50 0.933 -17.574 -6.145 371 HD2 PRO 50 HD2 PRO 50 2.397 -15.408 -4.785 372 HD3 PRO 50 HD3 PRO 50 0.993 -15.321 -5.869 373 H ASP 51 H ASP 51 1.750 -16.749 -1.742 374 HA ASP 51 HA ASP 51 0.072 -16.533 0.544 375 HB2 ASP 51 HB2 ASP 51 -0.022 -18.974 0.328 376 HB3 ASP 51 HB3 ASP 51 1.738 -19.049 0.290 377 H GLY 52 H GLY 52 1.164 -14.694 1.022 378 HA2 GLY 52 HA2 GLY 52 4.000 -15.018 1.706 379 HA3 GLY 52 HA3 GLY 52 3.542 -13.762 0.570 380 H THR 53 H THR 53 4.168 -12.062 1.761 381 HA THR 53 HA THR 53 3.824 -11.784 4.535 382 HB THR 53 HB THR 53 4.264 -9.700 2.415 383 HG1 THR 53 HG1 THR 53 5.967 -11.342 3.979 384 HG21 THR 53 HG21 THR 53 4.474 -9.575 5.417 385 HG22 THR 53 HG22 THR 53 3.518 -8.543 4.341 386 HG23 THR 53 HG23 THR 53 5.280 -8.423 4.355 387 H ILE 54 H ILE 54 2.171 -10.056 1.884 388 HA ILE 54 HA ILE 54 0.394 -8.691 3.448 389 HB ILE 54 HB ILE 54 0.716 -9.200 0.663 390 HG12 ILE 54 HG12 ILE 54 -0.222 -6.855 0.629 391 HG13 ILE 54 HG13 ILE 54 -0.507 -7.035 2.356 392 HG21 ILE 54 HG21 ILE 54 -1.454 -10.315 0.772 393 HG22 ILE 54 HG22 ILE 54 -1.576 -8.776 -0.080 394 HG23 ILE 54 HG23 ILE 54 -2.141 -8.908 1.585 395 HD11 ILE 54 HD11 ILE 54 2.128 -6.956 0.953 396 HD12 ILE 54 HD12 ILE 54 1.939 -7.464 2.631 397 HD13 ILE 54 HD13 ILE 54 1.480 -5.827 2.144 398 H THR 55 H THR 55 0.353 -11.978 2.506 399 HA THR 55 HA THR 55 -2.308 -12.627 3.062 400 HB THR 55 HB THR 55 0.123 -14.314 3.532 401 HG1 THR 55 HG1 THR 55 -1.530 -13.853 1.275 402 HG21 THR 55 HG21 THR 55 -2.728 -15.197 3.126 403 HG22 THR 55 HG22 THR 55 -1.972 -15.037 4.709 404 HG23 THR 55 HG23 THR 55 -1.345 -16.210 3.543 405 H SER 56 H SER 56 0.430 -12.312 5.285 406 HA SER 56 HA SER 56 -1.123 -13.144 7.539 407 HB2 SER 56 HB2 SER 56 1.314 -13.528 7.465 408 HB3 SER 56 HB3 SER 56 1.581 -11.788 7.394 409 HG SER 56 HG SER 56 0.314 -13.186 9.521 410 H LEU 57 H LEU 57 -0.095 -10.285 6.010 411 HA LEU 57 HA LEU 57 -0.973 -8.364 7.853 412 HB2 LEU 57 HB2 LEU 57 -0.272 -8.342 5.023 413 HB3 LEU 57 HB3 LEU 57 -1.087 -6.950 5.661 414 HG LEU 57 HG LEU 57 0.733 -6.640 7.277 415 HD11 LEU 57 HD11 LEU 57 1.441 -8.964 7.499 416 HD12 LEU 57 HD12 LEU 57 2.796 -7.912 7.088 417 HD13 LEU 57 HD13 LEU 57 2.068 -8.935 5.850 418 HD21 LEU 57 HD21 LEU 57 0.972 -5.361 5.325 419 HD22 LEU 57 HD22 LEU 57 1.382 -6.772 4.349 420 HD23 LEU 57 HD23 LEU 57 2.542 -6.150 5.527 421 H VAL 58 H VAL 58 -2.666 -10.376 5.677 422 HA VAL 58 HA VAL 58 -4.956 -8.576 5.547 423 HB VAL 58 HB VAL 58 -4.087 -9.941 3.542 424 HG11 VAL 58 HG11 VAL 58 -4.928 -12.186 3.288 425 HG12 VAL 58 HG12 VAL 58 -5.690 -12.116 4.877 426 HG13 VAL 58 HG13 VAL 58 -3.930 -12.098 4.745 427 HG21 VAL 58 HG21 VAL 58 -6.179 -8.687 3.568 428 HG22 VAL 58 HG22 VAL 58 -7.008 -10.085 4.256 429 HG23 VAL 58 HG23 VAL 58 -6.322 -10.176 2.633 430 H GLN 59 H GLN 59 -3.794 -11.266 7.357 431 HA GLN 59 HA GLN 59 -6.283 -12.478 7.854 432 HB2 GLN 59 HB2 GLN 59 -3.753 -12.688 9.444 433 HB3 GLN 59 HB3 GLN 59 -5.097 -13.816 9.468 434 HG2 GLN 59 HG2 GLN 59 -3.932 -13.248 6.846 435 HG3 GLN 59 HG3 GLN 59 -2.943 -14.159 7.957 436 HE21 GLN 59 HE21 GLN 59 -4.160 -14.968 5.462 437 HE22 GLN 59 HE22 GLN 59 -5.190 -16.310 5.820 438 H ASN 60 H ASN 60 -4.302 -10.309 9.821 439 HA ASN 60 HA ASN 60 -6.764 -9.696 11.197 440 HB2 ASN 60 HB2 ASN 60 -4.709 -11.378 12.127 441 HB3 ASN 60 HB3 ASN 60 -4.749 -9.956 13.134 442 HD21 ASN 60 HD21 ASN 60 -6.339 -12.794 12.123 443 HD22 ASN 60 HD22 ASN 60 -7.631 -12.764 13.279 444 HA PRO 61 HA PRO 61 -4.488 -5.746 11.603 445 HB2 PRO 61 HB2 PRO 61 -3.051 -5.298 9.153 446 HB3 PRO 61 HB3 PRO 61 -2.433 -5.279 10.807 447 HG2 PRO 61 HG2 PRO 61 -1.747 -7.162 8.962 448 HG3 PRO 61 HG3 PRO 61 -1.749 -7.457 10.708 449 HD2 PRO 61 HD2 PRO 61 -3.858 -8.154 8.675 450 HD3 PRO 61 HD3 PRO 61 -3.188 -9.152 9.986 451 HA PRO 62 HA PRO 62 -7.711 -3.997 9.043 452 HB2 PRO 62 HB2 PRO 62 -6.361 -1.432 9.555 453 HB3 PRO 62 HB3 PRO 62 -8.028 -1.915 9.886 454 HG2 PRO 62 HG2 PRO 62 -6.288 -1.678 11.859 455 HG3 PRO 62 HG3 PRO 62 -7.451 -3.010 11.857 456 HD2 PRO 62 HD2 PRO 62 -4.546 -3.026 11.102 457 HD3 PRO 62 HD3 PRO 62 -5.459 -4.197 12.078 458 H GLN 63 H GLN 63 -4.364 -3.632 8.454 459 HA GLN 63 HA GLN 63 -4.157 -1.840 6.397 460 HB2 GLN 63 HB2 GLN 63 -2.278 -2.836 7.566 461 HB3 GLN 63 HB3 GLN 63 -2.553 -4.341 6.700 462 HG2 GLN 63 HG2 GLN 63 -2.474 -2.495 4.695 463 HG3 GLN 63 HG3 GLN 63 -1.256 -1.887 5.820 464 HE21 GLN 63 HE21 GLN 63 -2.254 -5.147 5.143 465 HE22 GLN 63 HE22 GLN 63 -0.758 -5.642 4.530 466 H LEU 64 H LEU 64 -5.639 -4.905 6.185 467 HA LEU 64 HA LEU 64 -5.426 -5.694 3.594 468 HB2 LEU 64 HB2 LEU 64 -6.788 -7.019 4.836 469 HB3 LEU 64 HB3 LEU 64 -7.633 -5.677 5.576 470 HG LEU 64 HG LEU 64 -8.627 -5.297 3.237 471 HD11 LEU 64 HD11 LEU 64 -8.792 -7.207 1.805 472 HD12 LEU 64 HD12 LEU 64 -7.875 -8.191 2.939 473 HD13 LEU 64 HD13 LEU 64 -7.087 -6.856 2.093 474 HD21 LEU 64 HD21 LEU 64 -9.493 -7.774 4.701 475 HD22 LEU 64 HD22 LEU 64 -10.477 -6.695 3.703 476 HD23 LEU 64 HD23 LEU 64 -9.836 -6.130 5.254 477 H GLY 65 H GLY 65 -7.519 -3.167 4.851 478 HA2 GLY 65 HA2 GLY 65 -9.031 -2.529 2.653 479 HA3 GLY 65 HA3 GLY 65 -8.551 -1.372 3.858 480 H ARG 66 H ARG 66 -5.723 -1.605 3.221 481 HA ARG 66 HA ARG 66 -5.612 0.425 1.230 482 HB2 ARG 66 HB2 ARG 66 -3.805 0.859 2.431 483 HB3 ARG 66 HB3 ARG 66 -3.972 -0.677 3.266 484 HG2 ARG 66 HG2 ARG 66 -2.872 -1.668 1.132 485 HG3 ARG 66 HG3 ARG 66 -2.313 -0.009 0.883 486 HD2 ARG 66 HD2 ARG 66 -2.042 -0.981 3.594 487 HD3 ARG 66 HD3 ARG 66 -1.072 -1.889 2.417 488 HE ARG 66 HE ARG 66 -0.852 0.965 2.107 489 HH11 ARG 66 HH11 ARG 66 0.408 -1.745 3.961 490 HH12 ARG 66 HH12 ARG 66 1.890 -0.934 4.351 491 HH21 ARG 66 HH21 ARG 66 1.102 2.010 2.628 492 HH22 ARG 66 HH22 ARG 66 2.282 1.200 3.602 493 H ILE 67 H ILE 67 -5.072 -2.943 1.433 494 HA ILE 67 HA ILE 67 -3.315 -3.265 -0.745 495 HB ILE 67 HB ILE 67 -5.058 -5.276 0.661 496 HG12 ILE 67 HG12 ILE 67 -2.302 -4.207 1.366 497 HG13 ILE 67 HG13 ILE 67 -3.799 -3.910 2.234 498 HG21 ILE 67 HG21 ILE 67 -3.324 -6.875 0.018 499 HG22 ILE 67 HG22 ILE 67 -2.483 -5.601 -0.867 500 HG23 ILE 67 HG23 ILE 67 -4.096 -6.119 -1.382 501 HD11 ILE 67 HD11 ILE 67 -2.554 -5.527 3.421 502 HD12 ILE 67 HD12 ILE 67 -2.376 -6.534 1.978 503 HD13 ILE 67 HD13 ILE 67 -3.965 -6.325 2.717 504 H LEU 68 H LEU 68 -6.770 -3.835 -0.314 505 HA LEU 68 HA LEU 68 -7.349 -5.216 -2.590 506 HB2 LEU 68 HB2 LEU 68 -9.004 -3.139 -1.194 507 HB3 LEU 68 HB3 LEU 68 -9.620 -4.067 -2.536 508 HG LEU 68 HG LEU 68 -10.428 -5.381 -0.924 509 HD11 LEU 68 HD11 LEU 68 -8.967 -7.205 -0.274 510 HD12 LEU 68 HD12 LEU 68 -7.563 -6.256 -0.759 511 HD13 LEU 68 HD13 LEU 68 -8.737 -6.773 -1.968 512 HD21 LEU 68 HD21 LEU 68 -8.231 -4.610 0.978 513 HD22 LEU 68 HD22 LEU 68 -9.787 -5.370 1.378 514 HD23 LEU 68 HD23 LEU 68 -9.730 -3.702 0.791 515 H LYS 69 H LYS 69 -7.326 -1.651 -2.298 516 HA LYS 69 HA LYS 69 -8.139 -1.452 -5.072 517 HB2 LYS 69 HB2 LYS 69 -7.671 0.644 -2.954 518 HB3 LYS 69 HB3 LYS 69 -8.201 1.004 -4.590 519 HG2 LYS 69 HG2 LYS 69 -9.815 -0.992 -3.151 520 HG3 LYS 69 HG3 LYS 69 -9.858 0.645 -2.494 521 HD2 LYS 69 HD2 LYS 69 -11.656 0.383 -4.078 522 HD3 LYS 69 HD3 LYS 69 -10.457 1.487 -4.748 523 HE2 LYS 69 HE2 LYS 69 -9.527 -0.375 -6.071 524 HE3 LYS 69 HE3 LYS 69 -10.791 -1.430 -5.441 525 HZ1 LYS 69 HZ1 LYS 69 -11.192 0.992 -7.107 526 HZ2 LYS 69 HZ2 LYS 69 -12.439 0.062 -6.447 527 HZ3 LYS 69 HZ3 LYS 69 -11.405 -0.611 -7.603 528 H TYR 70 H TYR 70 -5.466 0.062 -3.190 529 HA TYR 70 HA TYR 70 -4.025 0.216 -5.752 530 HB2 TYR 70 HB2 TYR 70 -4.161 2.331 -3.612 531 HB3 TYR 70 HB3 TYR 70 -3.079 2.387 -4.997 532 HD1 TYR 70 HD1 TYR 70 -4.236 2.234 -7.336 533 HD2 TYR 70 HD2 TYR 70 -6.235 3.333 -3.748 534 HE1 TYR 70 HE1 TYR 70 -5.977 3.359 -8.657 535 HE2 TYR 70 HE2 TYR 70 -7.982 4.456 -5.058 536 HH TYR 70 HH TYR 70 -8.117 5.534 -7.382 537 H HIS 71 H HIS 71 -3.840 -0.918 -2.579 538 HA HIS 71 HA HIS 71 -2.147 -1.592 -1.191 539 HB2 HIS 71 HB2 HIS 71 -1.386 -2.608 -3.477 540 HB3 HIS 71 HB3 HIS 71 -0.208 -1.306 -3.490 541 HD1 HIS 71 HD1 HIS 71 -0.778 -4.676 -2.261 542 HD2 HIS 71 HD2 HIS 71 1.686 -1.483 -1.264 543 HE1 HIS 71 HE1 HIS 71 1.057 -5.655 -0.854 544 HE2 HIS 71 HE2 HIS 71 2.671 -3.759 -0.512 545 H VAL 72 H VAL 72 -2.879 0.991 -1.052 546 HA VAL 72 HA VAL 72 -0.522 2.699 -1.441 547 HB VAL 72 HB VAL 72 -2.474 3.194 -2.875 548 HG11 VAL 72 HG11 VAL 72 -4.251 2.473 -1.393 549 HG12 VAL 72 HG12 VAL 72 -4.508 4.147 -1.886 550 HG13 VAL 72 HG13 VAL 72 -3.880 3.787 -0.278 551 HG21 VAL 72 HG21 VAL 72 -0.984 5.019 -2.340 552 HG22 VAL 72 HG22 VAL 72 -1.849 5.324 -0.834 553 HG23 VAL 72 HG23 VAL 72 -2.646 5.614 -2.380 554 H VAL 73 H VAL 73 -0.154 4.405 -0.032 555 HA VAL 73 HA VAL 73 -1.761 4.619 2.397 556 HB VAL 73 HB VAL 73 0.163 3.555 3.281 557 HG11 VAL 73 HG11 VAL 73 1.966 5.518 1.888 558 HG12 VAL 73 HG12 VAL 73 1.562 3.946 1.191 559 HG13 VAL 73 HG13 VAL 73 2.416 4.037 2.735 560 HG21 VAL 73 HG21 VAL 73 0.637 6.504 3.546 561 HG22 VAL 73 HG22 VAL 73 1.132 5.241 4.681 562 HG23 VAL 73 HG23 VAL 73 -0.589 5.591 4.449 563 H ALA 74 H ALA 74 -2.276 6.697 2.876 564 HA ALA 74 HA ALA 74 -1.745 8.793 0.992 565 HB1 ALA 74 HB1 ALA 74 -3.831 8.806 2.142 566 HB2 ALA 74 HB2 ALA 74 -2.907 10.184 2.751 567 HB3 ALA 74 HB3 ALA 74 -3.040 8.706 3.718 568 H GLY 75 H GLY 75 -0.456 10.487 1.127 569 HA2 GLY 75 HA2 GLY 75 0.941 11.973 2.491 570 HA3 GLY 75 HA3 GLY 75 1.434 10.543 3.389 571 H ALA 76 H ALA 76 1.932 12.456 0.630 572 HA ALA 76 HA ALA 76 3.414 10.765 -1.012 573 HB1 ALA 76 HB1 ALA 76 4.316 12.820 -2.002 574 HB2 ALA 76 HB2 ALA 76 3.632 13.746 -0.664 575 HB3 ALA 76 HB3 ALA 76 2.570 12.894 -1.781 576 H TYR 77 H TYR 77 4.985 9.578 -0.143 577 HA TYR 77 HA TYR 77 7.239 11.038 1.102 578 HB2 TYR 77 HB2 TYR 77 6.934 8.081 1.452 579 HB3 TYR 77 HB3 TYR 77 7.754 9.245 2.472 580 HD1 TYR 77 HD1 TYR 77 6.063 11.005 3.636 581 HD2 TYR 77 HD2 TYR 77 5.039 7.117 2.248 582 HE1 TYR 77 HE1 TYR 77 4.186 10.934 5.226 583 HE2 TYR 77 HE2 TYR 77 3.150 7.036 3.817 584 HH TYR 77 HH TYR 77 1.980 9.741 5.427 585 H LYS 78 H LYS 78 9.041 11.107 -0.194 586 HA LYS 78 HA LYS 78 9.342 9.169 -2.307 587 HB2 LYS 78 HB2 LYS 78 11.183 11.369 -1.384 588 HB3 LYS 78 HB3 LYS 78 11.558 10.266 -2.702 589 HG2 LYS 78 HG2 LYS 78 10.679 11.993 -3.901 590 HG3 LYS 78 HG3 LYS 78 9.219 11.072 -3.581 591 HD2 LYS 78 HD2 LYS 78 9.447 12.662 -1.359 592 HD3 LYS 78 HD3 LYS 78 9.945 13.725 -2.682 593 HE2 LYS 78 HE2 LYS 78 7.912 13.110 -3.906 594 HE3 LYS 78 HE3 LYS 78 7.430 12.088 -2.552 595 HZ1 LYS 78 HZ1 LYS 78 7.863 15.021 -2.357 596 HZ2 LYS 78 HZ2 LYS 78 7.245 14.012 -1.152 597 HZ3 LYS 78 HZ3 LYS 78 6.351 14.298 -2.559 598 H ALA 79 H ALA 79 11.453 7.876 -2.384 599 HA ALA 79 HA ALA 79 11.329 6.025 -0.358 600 HB1 ALA 79 HB1 ALA 79 13.460 5.148 -1.137 601 HB2 ALA 79 HB2 ALA 79 13.755 6.640 -2.036 602 HB3 ALA 79 HB3 ALA 79 12.422 5.582 -2.497 603 H THR 80 H THR 80 13.211 8.946 -0.533 604 HA THR 80 HA THR 80 15.098 8.230 1.545 605 HB THR 80 HB THR 80 15.743 9.801 -0.207 606 HG1 THR 80 HG1 THR 80 16.296 10.113 2.240 607 HG21 THR 80 HG21 THR 80 13.603 11.621 0.901 608 HG22 THR 80 HG22 THR 80 13.565 10.807 -0.662 609 HG23 THR 80 HG23 THR 80 14.773 12.050 -0.346 610 H ASP 81 H ASP 81 11.953 9.683 1.449 611 HA ASP 81 HA ASP 81 12.126 10.983 3.996 612 HB2 ASP 81 HB2 ASP 81 10.489 11.500 2.072 613 HB3 ASP 81 HB3 ASP 81 9.582 10.103 2.634 614 H LEU 82 H LEU 82 10.862 7.940 2.737 615 HA LEU 82 HA LEU 82 9.958 6.849 5.117 616 HB2 LEU 82 HB2 LEU 82 11.069 5.562 2.639 617 HB3 LEU 82 HB3 LEU 82 10.290 4.670 3.932 618 HG LEU 82 HG LEU 82 8.458 4.936 2.683 619 HD11 LEU 82 HD11 LEU 82 8.534 7.756 3.670 620 HD12 LEU 82 HD12 LEU 82 8.073 6.370 4.653 621 HD13 LEU 82 HD13 LEU 82 7.106 6.811 3.247 622 HD21 LEU 82 HD21 LEU 82 9.697 5.752 0.777 623 HD22 LEU 82 HD22 LEU 82 9.632 7.386 1.437 624 HD23 LEU 82 HD23 LEU 82 8.148 6.574 0.938 625 H LYS 83 H LYS 83 13.221 6.603 3.671 626 HA LYS 83 HA LYS 83 14.263 5.036 5.703 627 HB2 LYS 83 HB2 LYS 83 16.153 6.721 4.234 628 HB3 LYS 83 HB3 LYS 83 16.001 4.995 4.413 629 HG2 LYS 83 HG2 LYS 83 14.289 4.950 2.772 630 HG3 LYS 83 HG3 LYS 83 14.614 6.657 2.467 631 HD2 LYS 83 HD2 LYS 83 15.790 5.137 0.878 632 HD3 LYS 83 HD3 LYS 83 16.862 6.205 1.781 633 HE2 LYS 83 HE2 LYS 83 17.471 4.412 3.271 634 HE3 LYS 83 HE3 LYS 83 16.291 3.337 2.527 635 HZ1 LYS 83 HZ1 LYS 83 18.639 4.499 1.128 636 HZ2 LYS 83 HZ2 LYS 83 17.553 3.368 0.496 637 HZ3 LYS 83 HZ3 LYS 83 18.578 2.937 1.772 638 H ARG 84 H ARG 84 14.020 8.515 5.202 639 HA ARG 84 HA ARG 84 15.617 9.404 7.288 640 HB2 ARG 84 HB2 ARG 84 13.730 10.471 5.523 641 HB3 ARG 84 HB3 ARG 84 13.137 10.856 7.127 642 HG2 ARG 84 HG2 ARG 84 14.802 12.304 7.552 643 HG3 ARG 84 HG3 ARG 84 15.998 11.319 6.707 644 HD2 ARG 84 HD2 ARG 84 15.080 12.058 4.573 645 HD3 ARG 84 HD3 ARG 84 13.923 13.084 5.422 646 HE ARG 84 HE ARG 84 16.555 13.695 6.251 647 HH11 ARG 84 HH11 ARG 84 14.409 14.104 3.511 648 HH12 ARG 84 HH12 ARG 84 15.209 15.538 2.946 649 HH21 ARG 84 HH21 ARG 84 17.580 15.594 5.520 650 HH22 ARG 84 HH22 ARG 84 17.003 16.384 4.086 651 H MET 85 H MET 85 12.336 8.227 7.163 652 HA MET 85 HA MET 85 11.912 8.294 9.992 653 HB2 MET 85 HB2 MET 85 10.464 6.741 7.848 654 HB3 MET 85 HB3 MET 85 9.928 6.919 9.507 655 HG2 MET 85 HG2 MET 85 9.677 9.302 9.179 656 HG3 MET 85 HG3 MET 85 10.265 9.148 7.528 657 HE1 MET 85 HE1 MET 85 7.576 10.634 8.087 658 HE2 MET 85 HE2 MET 85 6.514 9.921 6.873 659 HE3 MET 85 HE3 MET 85 8.183 10.316 6.462 660 H GLY 86 H GLY 86 12.878 5.787 7.605 661 HA2 GLY 86 HA2 GLY 86 13.902 3.736 8.043 662 HA3 GLY 86 HA3 GLY 86 13.917 4.127 9.756 663 H ILE 87 H ILE 87 10.911 4.601 8.412 664 HA ILE 87 HA ILE 87 9.826 2.001 8.558 665 HB ILE 87 HB ILE 87 10.185 2.912 11.026 666 HG12 ILE 87 HG12 ILE 87 7.473 1.788 10.354 667 HG13 ILE 87 HG13 ILE 87 8.925 0.818 10.178 668 HG21 ILE 87 HG21 ILE 87 8.184 4.065 11.840 669 HG22 ILE 87 HG22 ILE 87 7.583 4.146 10.181 670 HG23 ILE 87 HG23 ILE 87 9.050 5.018 10.630 671 HD11 ILE 87 HD11 ILE 87 7.838 0.373 12.279 672 HD12 ILE 87 HD12 ILE 87 7.926 2.080 12.712 673 HD13 ILE 87 HD13 ILE 87 9.404 1.131 12.549 674 H VAL 88 H VAL 88 7.539 2.044 8.101 675 HA VAL 88 HA VAL 88 6.548 4.581 7.003 676 HB VAL 88 HB VAL 88 5.598 3.199 5.091 677 HG11 VAL 88 HG11 VAL 88 7.381 4.669 4.633 678 HG12 VAL 88 HG12 VAL 88 7.841 3.124 3.918 679 HG13 VAL 88 HG13 VAL 88 8.548 3.634 5.460 680 HG21 VAL 88 HG21 VAL 88 5.940 0.999 6.126 681 HG22 VAL 88 HG22 VAL 88 7.691 1.241 6.061 682 HG23 VAL 88 HG23 VAL 88 6.753 1.110 4.563 683 H THR 89 H THR 89 4.364 4.916 7.298 684 HA THR 89 HA THR 89 2.971 2.774 8.753 685 HB THR 89 HB THR 89 2.164 5.668 8.881 686 HG1 THR 89 HG1 THR 89 4.371 5.533 9.531 687 HG21 THR 89 HG21 THR 89 1.297 4.934 11.080 688 HG22 THR 89 HG22 THR 89 1.855 3.292 10.730 689 HG23 THR 89 HG23 THR 89 0.591 4.031 9.739 690 H SER 90 H SER 90 1.083 2.042 8.058 691 HA SER 90 HA SER 90 0.182 2.557 5.413 692 HB2 SER 90 HB2 SER 90 -0.076 0.357 6.279 693 HB3 SER 90 HB3 SER 90 -0.884 0.924 7.736 694 HG SER 90 HG SER 90 -2.323 0.004 6.188 695 H LEU 91 H LEU 91 -2.177 3.107 4.908 696 HA LEU 91 HA LEU 91 -3.077 5.506 5.922 697 HB2 LEU 91 HB2 LEU 91 -4.206 3.528 4.201 698 HB3 LEU 91 HB3 LEU 91 -5.342 3.936 5.391 699 HG LEU 91 HG LEU 91 -5.980 5.510 4.140 700 HD11 LEU 91 HD11 LEU 91 -4.563 6.757 5.741 701 HD12 LEU 91 HD12 LEU 91 -4.831 7.579 4.201 702 HD13 LEU 91 HD13 LEU 91 -3.300 6.759 4.508 703 HD21 LEU 91 HD21 LEU 91 -3.461 5.426 2.607 704 HD22 LEU 91 HD22 LEU 91 -5.045 5.991 2.075 705 HD23 LEU 91 HD23 LEU 91 -4.777 4.276 2.409 706 H GLU 92 H GLU 92 -3.528 2.237 7.059 707 HA GLU 92 HA GLU 92 -5.645 2.895 8.911 708 HB2 GLU 92 HB2 GLU 92 -5.477 0.555 9.598 709 HB3 GLU 92 HB3 GLU 92 -5.534 0.695 7.837 710 HG2 GLU 92 HG2 GLU 92 -3.696 -0.527 7.722 711 HG3 GLU 92 HG3 GLU 92 -2.825 0.759 8.547 712 H GLY 93 H GLY 93 -2.235 2.796 8.932 713 HA2 GLY 93 HA2 GLY 93 -1.102 3.912 10.787 714 HA3 GLY 93 HA3 GLY 93 -2.235 3.115 11.861 715 H SER 94 H SER 94 -1.152 1.017 9.394 716 HA SER 94 HA SER 94 0.395 -0.459 11.279 717 HB2 SER 94 HB2 SER 94 -0.684 -0.930 8.581 718 HB3 SER 94 HB3 SER 94 0.818 -1.769 8.951 719 HG SER 94 HG SER 94 -1.724 -2.220 9.874 720 H THR 95 H THR 95 2.470 -0.117 11.692 721 HA THR 95 HA THR 95 4.112 1.349 9.816 722 HB THR 95 HB THR 95 5.732 0.599 11.938 723 HG1 THR 95 HG1 THR 95 3.647 1.597 13.368 724 HG21 THR 95 HG21 THR 95 4.049 3.085 11.612 725 HG22 THR 95 HG22 THR 95 5.627 2.800 10.874 726 HG23 THR 95 HG23 THR 95 5.483 2.935 12.628 727 H ILE 96 H ILE 96 5.774 0.621 8.698 728 HA ILE 96 HA ILE 96 6.657 -2.159 8.992 729 HB ILE 96 HB ILE 96 5.790 -0.736 6.513 730 HG12 ILE 96 HG12 ILE 96 5.042 -3.159 5.987 731 HG13 ILE 96 HG13 ILE 96 5.328 -3.450 7.701 732 HG21 ILE 96 HG21 ILE 96 7.981 -1.243 5.879 733 HG22 ILE 96 HG22 ILE 96 6.970 -2.516 5.193 734 HG23 ILE 96 HG23 ILE 96 7.919 -2.828 6.646 735 HD11 ILE 96 HD11 ILE 96 2.989 -2.973 7.274 736 HD12 ILE 96 HD12 ILE 96 3.420 -1.425 6.547 737 HD13 ILE 96 HD13 ILE 96 3.709 -1.702 8.264 738 HA PRO 97 HA PRO 97 10.431 0.141 9.467 739 HB2 PRO 97 HB2 PRO 97 11.942 -2.340 9.296 740 HB3 PRO 97 HB3 PRO 97 11.639 -1.318 10.703 741 HG2 PRO 97 HG2 PRO 97 10.563 -3.803 10.383 742 HG3 PRO 97 HG3 PRO 97 9.801 -2.519 11.338 743 HD2 PRO 97 HD2 PRO 97 9.170 -3.470 8.577 744 HD3 PRO 97 HD3 PRO 97 8.075 -2.944 9.872 745 H ILE 98 H ILE 98 11.656 1.154 8.144 746 HA ILE 98 HA ILE 98 12.135 0.156 5.459 747 HB ILE 98 HB ILE 98 12.469 2.860 6.737 748 HG12 ILE 98 HG12 ILE 98 10.165 2.143 6.318 749 HG13 ILE 98 HG13 ILE 98 10.620 3.483 5.276 750 HG21 ILE 98 HG21 ILE 98 13.058 2.034 3.906 751 HG22 ILE 98 HG22 ILE 98 14.205 2.651 5.098 752 HG23 ILE 98 HG23 ILE 98 12.939 3.702 4.466 753 HD11 ILE 98 HD11 ILE 98 10.816 2.059 3.394 754 HD12 ILE 98 HD12 ILE 98 9.289 1.669 4.196 755 HD13 ILE 98 HD13 ILE 98 10.689 0.617 4.399 756 H HIS 99 H HIS 99 14.051 -0.225 4.600 757 HA HIS 99 HA HIS 99 16.519 0.293 6.091 758 HB2 HIS 99 HB2 HIS 99 16.062 -2.384 4.807 759 HB3 HIS 99 HB3 HIS 99 17.345 -1.920 5.905 760 HD1 HIS 99 HD1 HIS 99 16.626 -1.636 8.468 761 HD2 HIS 99 HD2 HIS 99 13.817 -3.429 5.981 762 HE1 HIS 99 HE1 HIS 99 14.953 -2.716 10.001 763 HE2 HIS 99 HE2 HIS 99 13.394 -3.968 8.472 764 H GLY 100 H GLY 100 18.416 -0.550 4.413 765 HA2 GLY 100 HA2 GLY 100 18.382 -0.891 1.854 766 HA3 GLY 100 HA3 GLY 100 17.697 0.724 1.870 767 H ASP 101 H ASP 101 20.473 -1.044 1.543 768 HA ASP 101 HA ASP 101 22.299 0.975 2.527 769 HB2 ASP 101 HB2 ASP 101 22.973 -1.399 2.543 770 HB3 ASP 101 HB3 ASP 101 22.833 -1.447 0.789 771 H ASN 102 H ASN 102 21.282 -0.291 -0.623 772 HA ASN 102 HA ASN 102 22.107 2.273 -1.792 773 HB2 ASN 102 HB2 ASN 102 23.473 0.482 -2.691 774 HB3 ASN 102 HB3 ASN 102 22.039 -0.432 -3.135 775 HD21 ASN 102 HD21 ASN 102 22.612 -0.488 -5.307 776 HD22 ASN 102 HD22 ASN 102 22.513 0.911 -6.322 777 HA PRO 103 HA PRO 103 17.742 1.552 -3.462 778 HB2 PRO 103 HB2 PRO 103 16.489 -0.758 -3.404 779 HB3 PRO 103 HB3 PRO 103 17.863 -0.572 -4.502 780 HG2 PRO 103 HG2 PRO 103 17.762 -1.855 -1.802 781 HG3 PRO 103 HG3 PRO 103 18.490 -2.473 -3.300 782 HD2 PRO 103 HD2 PRO 103 19.896 -1.151 -1.347 783 HD3 PRO 103 HD3 PRO 103 20.397 -1.238 -3.038 784 H LEU 104 H LEU 104 15.493 1.416 -2.500 785 HA LEU 104 HA LEU 104 15.570 1.608 0.373 786 HB2 LEU 104 HB2 LEU 104 14.071 3.009 -1.091 787 HB3 LEU 104 HB3 LEU 104 13.169 1.548 -1.430 788 HG LEU 104 HG LEU 104 12.803 1.376 1.095 789 HD11 LEU 104 HD11 LEU 104 12.845 3.561 2.266 790 HD12 LEU 104 HD12 LEU 104 13.724 4.238 0.895 791 HD13 LEU 104 HD13 LEU 104 14.455 2.960 1.868 792 HD21 LEU 104 HD21 LEU 104 10.933 2.979 0.997 793 HD22 LEU 104 HD22 LEU 104 11.034 1.929 -0.414 794 HD23 LEU 104 HD23 LEU 104 11.588 3.602 -0.519 795 H GLU 105 H GLU 105 14.285 0.337 1.773 796 HA GLU 105 HA GLU 105 13.551 -2.307 0.770 797 HB2 GLU 105 HB2 GLU 105 15.228 -1.872 3.236 798 HB3 GLU 105 HB3 GLU 105 14.647 -3.417 2.638 799 HG2 GLU 105 HG2 GLU 105 15.998 -2.983 0.568 800 HG3 GLU 105 HG3 GLU 105 16.706 -1.610 1.414 801 H VAL 106 H VAL 106 11.535 -2.432 1.217 802 HA VAL 106 HA VAL 106 10.514 -1.278 3.703 803 HB VAL 106 HB VAL 106 9.150 -0.333 2.157 804 HG11 VAL 106 HG11 VAL 106 9.545 -2.707 0.346 805 HG12 VAL 106 HG12 VAL 106 10.415 -1.173 0.255 806 HG13 VAL 106 HG13 VAL 106 8.680 -1.227 -0.065 807 HG21 VAL 106 HG21 VAL 106 7.894 -3.061 2.360 808 HG22 VAL 106 HG22 VAL 106 7.100 -1.652 1.659 809 HG23 VAL 106 HG23 VAL 106 7.560 -1.648 3.365 810 H LYS 107 H LYS 107 10.124 -2.614 5.319 811 HA LYS 107 HA LYS 107 10.160 -4.499 6.553 812 HB2 LYS 107 HB2 LYS 107 8.435 -6.292 5.788 813 HB3 LYS 107 HB3 LYS 107 7.874 -4.721 6.329 814 HG2 LYS 107 HG2 LYS 107 7.427 -4.020 4.119 815 HG3 LYS 107 HG3 LYS 107 8.300 -5.385 3.434 816 HD2 LYS 107 HD2 LYS 107 6.607 -6.908 4.280 817 HD3 LYS 107 HD3 LYS 107 5.741 -5.554 5.018 818 HE2 LYS 107 HE2 LYS 107 5.139 -4.655 2.961 819 HE3 LYS 107 HE3 LYS 107 6.387 -5.552 2.095 820 HZ1 LYS 107 HZ1 LYS 107 5.138 -7.595 2.577 821 HZ2 LYS 107 HZ2 LYS 107 4.261 -6.504 1.626 822 HZ3 LYS 107 HZ3 LYS 107 3.909 -6.666 3.277 823 H ASN 108 H ASN 108 9.327 -6.745 4.127 824 HA ASN 108 HA ASN 108 12.047 -7.849 4.241 825 HB2 ASN 108 HB2 ASN 108 10.939 -10.033 3.729 826 HB3 ASN 108 HB3 ASN 108 10.444 -9.332 5.265 827 HD21 ASN 108 HD21 ASN 108 9.076 -11.283 3.608 828 HD22 ASN 108 HD22 ASN 108 7.521 -10.594 3.250 829 H ALA 109 H ALA 109 10.441 -5.952 2.341 830 HA ALA 109 HA ALA 109 11.016 -7.360 -0.170 831 HB1 ALA 109 HB1 ALA 109 9.524 -5.824 -1.248 832 HB2 ALA 109 HB2 ALA 109 9.415 -4.828 0.201 833 HB3 ALA 109 HB3 ALA 109 8.711 -6.447 0.189 834 H THR 110 H THR 110 11.919 -5.953 -1.916 835 HA THR 110 HA THR 110 13.745 -3.946 -0.884 836 HB THR 110 HB THR 110 14.497 -5.960 -3.013 837 HG1 THR 110 HG1 THR 110 14.472 -7.183 -1.202 838 HG21 THR 110 HG21 THR 110 16.167 -4.026 -1.397 839 HG22 THR 110 HG22 THR 110 15.704 -3.816 -3.087 840 HG23 THR 110 HG23 THR 110 16.769 -5.143 -2.622 841 H VAL 111 H VAL 111 13.895 -2.160 -2.168 842 HA VAL 111 HA VAL 111 11.813 -1.985 -4.168 843 HB VAL 111 HB VAL 111 13.522 0.001 -2.752 844 HG11 VAL 111 HG11 VAL 111 11.865 0.614 -5.196 845 HG12 VAL 111 HG12 VAL 111 13.625 0.685 -5.102 846 HG13 VAL 111 HG13 VAL 111 12.646 1.799 -4.150 847 HG21 VAL 111 HG21 VAL 111 10.561 -0.292 -3.197 848 HG22 VAL 111 HG22 VAL 111 11.324 0.992 -2.261 849 HG23 VAL 111 HG23 VAL 111 11.450 -0.683 -1.725 850 H LEU 112 H LEU 112 12.039 -2.104 -6.236 851 HA LEU 112 HA LEU 112 14.661 -2.419 -7.425 852 HB2 LEU 112 HB2 LEU 112 11.864 -2.768 -8.486 853 HB3 LEU 112 HB3 LEU 112 13.288 -2.919 -9.494 854 HG LEU 112 HG LEU 112 14.018 -4.747 -7.822 855 HD11 LEU 112 HD11 LEU 112 11.743 -3.841 -6.557 856 HD12 LEU 112 HD12 LEU 112 12.643 -5.313 -6.175 857 HD13 LEU 112 HD13 LEU 112 11.250 -5.385 -7.266 858 HD21 LEU 112 HD21 LEU 112 13.314 -5.208 -10.119 859 HD22 LEU 112 HD22 LEU 112 11.625 -5.181 -9.612 860 HD23 LEU 112 HD23 LEU 112 12.706 -6.436 -9.010 861 H ALA 113 H ALA 113 11.862 -0.324 -7.528 862 HA ALA 113 HA ALA 113 13.441 1.825 -8.660 863 HB1 ALA 113 HB1 ALA 113 12.631 0.659 -10.659 864 HB2 ALA 113 HB2 ALA 113 11.902 2.258 -10.506 865 HB3 ALA 113 HB3 ALA 113 10.974 0.821 -10.080 866 H ALA 114 H ALA 114 12.990 3.486 -7.351 867 HA ALA 114 HA ALA 114 10.197 3.986 -6.644 868 HB1 ALA 114 HB1 ALA 114 12.522 3.667 -4.805 869 HB2 ALA 114 HB2 ALA 114 10.888 2.997 -4.663 870 HB3 ALA 114 HB3 ALA 114 11.177 4.712 -4.358 871 H ASP 115 H ASP 115 10.454 6.194 -5.147 872 HA ASP 115 HA ASP 115 10.604 8.449 -5.295 873 HB2 ASP 115 HB2 ASP 115 13.037 8.165 -5.391 874 HB3 ASP 115 HB3 ASP 115 12.955 7.845 -7.117 875 H ILE 116 H ILE 116 9.057 6.716 -6.926 876 HA ILE 116 HA ILE 116 8.775 7.949 -9.516 877 HB ILE 116 HB ILE 116 7.022 5.850 -8.258 878 HG12 ILE 116 HG12 ILE 116 9.598 5.482 -9.782 879 HG13 ILE 116 HG13 ILE 116 9.281 5.015 -8.127 880 HG21 ILE 116 HG21 ILE 116 7.626 6.478 -11.136 881 HG22 ILE 116 HG22 ILE 116 6.172 6.974 -10.259 882 HG23 ILE 116 HG23 ILE 116 6.494 5.261 -10.544 883 HD11 ILE 116 HD11 ILE 116 7.691 3.347 -8.879 884 HD12 ILE 116 HD12 ILE 116 9.271 3.097 -9.624 885 HD13 ILE 116 HD13 ILE 116 7.962 3.830 -10.552 886 H GLU 117 H GLU 117 7.717 9.846 -9.503 887 HA GLU 117 HA GLU 117 5.845 10.595 -7.532 888 HB2 GLU 117 HB2 GLU 117 6.221 11.753 -10.290 889 HB3 GLU 117 HB3 GLU 117 5.376 12.511 -8.944 890 HG2 GLU 117 HG2 GLU 117 7.492 12.487 -7.664 891 HG3 GLU 117 HG3 GLU 117 8.307 11.860 -9.095 892 H ALA 118 H ALA 118 4.035 9.575 -7.251 893 HA ALA 118 HA ALA 118 2.522 8.380 -9.388 894 HB1 ALA 118 HB1 ALA 118 0.863 7.925 -7.561 895 HB2 ALA 118 HB2 ALA 118 1.992 8.706 -6.448 896 HB3 ALA 118 HB3 ALA 118 2.470 7.248 -7.314 897 H GLU 119 H GLU 119 0.024 8.807 -9.198 898 HA GLU 119 HA GLU 119 -0.615 11.179 -10.376 899 HB2 GLU 119 HB2 GLU 119 -2.965 10.787 -9.395 900 HB3 GLU 119 HB3 GLU 119 -2.285 9.542 -10.431 901 HG2 GLU 119 HG2 GLU 119 -1.922 8.085 -8.659 902 HG3 GLU 119 HG3 GLU 119 -1.982 9.366 -7.463 903 H ASN 120 H ASN 120 -0.815 10.496 -6.900 904 HA ASN 120 HA ASN 120 -0.939 13.380 -6.430 905 HB2 ASN 120 HB2 ASN 120 -2.372 11.169 -4.978 906 HB3 ASN 120 HB3 ASN 120 -2.202 12.787 -4.313 907 HD21 ASN 120 HD21 ASN 120 -4.609 11.351 -5.038 908 HD22 ASN 120 HD22 ASN 120 -5.414 12.316 -6.225 909 H GLY 121 H GLY 121 0.779 10.500 -5.899 910 HA2 GLY 121 HA2 GLY 121 2.403 11.876 -3.878 911 HA3 GLY 121 HA3 GLY 121 1.760 10.300 -3.477 912 H ILE 122 H ILE 122 3.052 8.687 -3.802 913 HA ILE 122 HA ILE 122 5.145 8.771 -5.822 914 HB ILE 122 HB ILE 122 5.575 8.659 -2.856 915 HG12 ILE 122 HG12 ILE 122 5.514 10.850 -4.060 916 HG13 ILE 122 HG13 ILE 122 7.002 10.518 -3.180 917 HG21 ILE 122 HG21 ILE 122 7.471 7.825 -5.021 918 HG22 ILE 122 HG22 ILE 122 6.916 6.888 -3.629 919 HG23 ILE 122 HG23 ILE 122 7.986 8.276 -3.396 920 HD11 ILE 122 HD11 ILE 122 6.986 9.701 -6.007 921 HD12 ILE 122 HD12 ILE 122 8.261 10.476 -5.049 922 HD13 ILE 122 HD13 ILE 122 6.931 11.440 -5.700 923 H ILE 123 H ILE 123 5.891 6.803 -6.443 924 HA ILE 123 HA ILE 123 4.640 4.424 -5.215 925 HB ILE 123 HB ILE 123 5.343 4.996 -8.099 926 HG12 ILE 123 HG12 ILE 123 2.751 3.920 -7.115 927 HG13 ILE 123 HG13 ILE 123 3.111 5.617 -6.837 928 HG21 ILE 123 HG21 ILE 123 6.072 2.716 -7.586 929 HG22 ILE 123 HG22 ILE 123 4.660 2.715 -8.643 930 HG23 ILE 123 HG23 ILE 123 4.477 2.353 -6.927 931 HD11 ILE 123 HD11 ILE 123 3.462 5.889 -9.268 932 HD12 ILE 123 HD12 ILE 123 1.825 5.393 -8.844 933 HD13 ILE 123 HD13 ILE 123 2.967 4.210 -9.491 934 H HIS 124 H HIS 124 5.906 2.585 -4.933 935 HA HIS 124 HA HIS 124 8.754 2.749 -5.646 936 HB2 HIS 124 HB2 HIS 124 8.046 1.546 -3.002 937 HB3 HIS 124 HB3 HIS 124 9.570 2.208 -3.536 938 HD1 HIS 124 HD1 HIS 124 6.230 3.257 -2.163 939 HD2 HIS 124 HD2 HIS 124 9.985 4.877 -2.896 940 HE1 HIS 124 HE1 HIS 124 6.261 5.463 -0.968 941 HE2 HIS 124 HE2 HIS 124 8.463 6.505 -1.578 942 H VAL 125 H VAL 125 9.160 1.023 -6.853 943 HA VAL 125 HA VAL 125 7.423 -1.277 -6.840 944 HB VAL 125 HB VAL 125 9.995 -0.769 -8.353 945 HG11 VAL 125 HG11 VAL 125 9.191 -2.571 -9.852 946 HG12 VAL 125 HG12 VAL 125 7.900 -2.909 -8.698 947 HG13 VAL 125 HG13 VAL 125 9.586 -3.134 -8.228 948 HG21 VAL 125 HG21 VAL 125 7.125 -0.481 -9.231 949 HG22 VAL 125 HG22 VAL 125 8.547 -0.248 -10.247 950 HG23 VAL 125 HG23 VAL 125 8.242 0.841 -8.891 951 H ILE 126 H ILE 126 7.752 -3.160 -5.788 952 HA ILE 126 HA ILE 126 10.370 -3.572 -4.490 953 HB ILE 126 HB ILE 126 9.318 -4.506 -2.554 954 HG12 ILE 126 HG12 ILE 126 7.145 -4.946 -4.191 955 HG13 ILE 126 HG13 ILE 126 7.193 -5.216 -2.455 956 HG21 ILE 126 HG21 ILE 126 8.159 -1.811 -3.223 957 HG22 ILE 126 HG22 ILE 126 9.727 -2.140 -2.482 958 HG23 ILE 126 HG23 ILE 126 8.244 -2.512 -1.602 959 HD11 ILE 126 HD11 ILE 126 6.247 -3.056 -2.051 960 HD12 ILE 126 HD12 ILE 126 5.229 -3.946 -3.184 961 HD13 ILE 126 HD13 ILE 126 6.297 -2.668 -3.771 962 H ASP 127 H ASP 127 10.559 -5.795 -3.682 963 HA ASP 127 HA ASP 127 9.808 -7.582 -5.868 964 HB2 ASP 127 HB2 ASP 127 12.179 -7.014 -5.680 965 HB3 ASP 127 HB3 ASP 127 12.211 -7.625 -4.040 966 H THR 128 H THR 128 8.413 -6.949 -3.296 967 HA THR 128 HA THR 128 7.538 -9.599 -2.719 968 HB THR 128 HB THR 128 9.186 -8.150 -0.653 969 HG1 THR 128 HG1 THR 128 9.821 -10.032 -2.228 970 HG21 THR 128 HG21 THR 128 8.380 -9.802 1.006 971 HG22 THR 128 HG22 THR 128 7.165 -10.335 -0.158 972 HG23 THR 128 HG23 THR 128 7.123 -8.686 0.472 973 H VAL 129 H VAL 129 5.402 -9.439 -2.319 974 HA VAL 129 HA VAL 129 4.137 -6.929 -2.300 975 HB VAL 129 HB VAL 129 3.108 -9.730 -1.850 976 HG11 VAL 129 HG11 VAL 129 1.470 -7.222 -2.147 977 HG12 VAL 129 HG12 VAL 129 1.715 -8.096 -0.638 978 HG13 VAL 129 HG13 VAL 129 0.865 -8.871 -1.974 979 HG21 VAL 129 HG21 VAL 129 3.881 -9.169 -4.108 980 HG22 VAL 129 HG22 VAL 129 2.786 -7.787 -4.135 981 HG23 VAL 129 HG23 VAL 129 2.136 -9.424 -4.066 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -18.843 14.065 -8.197 2 H2 MET 1 H2 MET 1 -18.284 12.553 -7.688 3 H3 MET 1 H3 MET 1 -17.616 13.962 -7.035 4 HA MET 1 HA MET 1 -19.674 14.528 -5.986 5 HB2 MET 1 HB2 MET 1 -20.639 11.977 -7.280 6 HB3 MET 1 HB3 MET 1 -21.486 12.772 -5.963 7 HG2 MET 1 HG2 MET 1 -20.910 13.962 -8.663 8 HG3 MET 1 HG3 MET 1 -22.460 13.328 -8.116 9 HE1 MET 1 HE1 MET 1 -23.941 14.429 -6.253 10 HE2 MET 1 HE2 MET 1 -23.488 15.869 -5.343 11 HE3 MET 1 HE3 MET 1 -22.610 14.359 -5.099 12 H ALA 2 H ALA 2 -18.946 11.032 -6.194 13 HA ALA 2 HA ALA 2 -18.309 11.121 -3.317 14 HB1 ALA 2 HB1 ALA 2 -20.356 9.861 -3.752 15 HB2 ALA 2 HB2 ALA 2 -19.075 8.784 -3.189 16 HB3 ALA 2 HB3 ALA 2 -19.495 8.838 -4.902 17 H THR 3 H THR 3 -16.428 10.225 -2.644 18 HA THR 3 HA THR 3 -14.395 9.564 -4.527 19 HB THR 3 HB THR 3 -14.505 9.146 -1.527 20 HG1 THR 3 HG1 THR 3 -14.361 11.362 -2.948 21 HG21 THR 3 HG21 THR 3 -12.803 7.734 -2.632 22 HG22 THR 3 HG22 THR 3 -12.092 8.968 -1.593 23 HG23 THR 3 HG23 THR 3 -12.093 9.183 -3.346 24 H ILE 4 H ILE 4 -13.476 7.515 -4.963 25 HA ILE 4 HA ILE 4 -15.114 5.448 -5.582 26 HB ILE 4 HB ILE 4 -12.273 5.021 -4.652 27 HG12 ILE 4 HG12 ILE 4 -12.097 5.150 -7.355 28 HG13 ILE 4 HG13 ILE 4 -13.366 6.334 -7.066 29 HG21 ILE 4 HG21 ILE 4 -13.480 2.956 -4.968 30 HG22 ILE 4 HG22 ILE 4 -12.306 3.160 -6.268 31 HG23 ILE 4 HG23 ILE 4 -14.014 3.477 -6.565 32 HD11 ILE 4 HD11 ILE 4 -10.627 6.357 -5.821 33 HD12 ILE 4 HD12 ILE 4 -11.888 7.559 -5.564 34 HD13 ILE 4 HD13 ILE 4 -11.165 7.366 -7.160 35 H VAL 5 H VAL 5 -13.243 5.694 -2.604 36 HA VAL 5 HA VAL 5 -14.079 3.247 -1.487 37 HB VAL 5 HB VAL 5 -12.051 4.124 -0.672 38 HG11 VAL 5 HG11 VAL 5 -11.883 6.323 0.463 39 HG12 VAL 5 HG12 VAL 5 -13.538 6.655 -0.061 40 HG13 VAL 5 HG13 VAL 5 -12.258 6.427 -1.258 41 HG21 VAL 5 HG21 VAL 5 -14.191 4.495 1.369 42 HG22 VAL 5 HG22 VAL 5 -12.470 4.460 1.748 43 HG23 VAL 5 HG23 VAL 5 -13.251 3.038 1.052 44 H ASP 6 H ASP 6 -15.286 6.529 -1.231 45 HA ASP 6 HA ASP 6 -16.884 6.260 1.039 46 HB2 ASP 6 HB2 ASP 6 -16.322 8.401 -0.151 47 HB3 ASP 6 HB3 ASP 6 -17.518 7.977 -1.359 48 H ILE 7 H ILE 7 -17.562 5.843 -2.354 49 HA ILE 7 HA ILE 7 -20.247 5.207 -2.255 50 HB ILE 7 HB ILE 7 -18.284 3.941 -4.160 51 HG12 ILE 7 HG12 ILE 7 -19.766 6.484 -4.708 52 HG13 ILE 7 HG13 ILE 7 -18.277 6.547 -3.770 53 HG21 ILE 7 HG21 ILE 7 -20.183 3.874 -5.681 54 HG22 ILE 7 HG22 ILE 7 -21.197 4.685 -4.488 55 HG23 ILE 7 HG23 ILE 7 -20.609 3.051 -4.176 56 HD11 ILE 7 HD11 ILE 7 -17.912 6.982 -6.150 57 HD12 ILE 7 HD12 ILE 7 -18.521 5.368 -6.527 58 HD13 ILE 7 HD13 ILE 7 -17.042 5.558 -5.578 59 H ALA 8 H ALA 8 -17.543 3.276 -1.213 60 HA ALA 8 HA ALA 8 -18.657 0.711 -1.448 61 HB1 ALA 8 HB1 ALA 8 -16.737 1.734 0.639 62 HB2 ALA 8 HB2 ALA 8 -16.310 1.044 -0.927 63 HB3 ALA 8 HB3 ALA 8 -17.078 0.036 0.300 64 H VAL 9 H VAL 9 -19.089 3.206 1.008 65 HA VAL 9 HA VAL 9 -20.866 1.570 2.594 66 HB VAL 9 HB VAL 9 -20.488 4.571 2.645 67 HG11 VAL 9 HG11 VAL 9 -21.394 4.426 4.918 68 HG12 VAL 9 HG12 VAL 9 -21.668 2.699 4.694 69 HG13 VAL 9 HG13 VAL 9 -22.557 3.866 3.717 70 HG21 VAL 9 HG21 VAL 9 -19.140 2.420 4.268 71 HG22 VAL 9 HG22 VAL 9 -18.991 4.154 4.545 72 HG23 VAL 9 HG23 VAL 9 -18.383 3.446 3.050 73 H ASN 10 H ASN 10 -21.096 3.799 -0.042 74 HA ASN 10 HA ASN 10 -23.891 4.370 0.153 75 HB2 ASN 10 HB2 ASN 10 -22.239 5.861 -0.965 76 HB3 ASN 10 HB3 ASN 10 -22.009 4.638 -2.198 77 HD21 ASN 10 HD21 ASN 10 -22.608 6.004 -3.802 78 HD22 ASN 10 HD22 ASN 10 -24.234 6.506 -4.039 79 H THR 11 H THR 11 -22.019 1.824 -1.246 80 HA THR 11 HA THR 11 -23.675 1.067 -3.359 81 HB THR 11 HB THR 11 -22.602 -1.227 -3.027 82 HG1 THR 11 HG1 THR 11 -20.658 -0.015 -1.471 83 HG21 THR 11 HG21 THR 11 -20.840 1.187 -3.425 84 HG22 THR 11 HG22 THR 11 -21.817 0.400 -4.666 85 HG23 THR 11 HG23 THR 11 -20.463 -0.459 -3.932 86 HA PRO 12 HA PRO 12 -26.959 -1.027 -1.205 87 HB2 PRO 12 HB2 PRO 12 -27.689 -2.387 -3.645 88 HB3 PRO 12 HB3 PRO 12 -28.484 -1.014 -2.883 89 HG2 PRO 12 HG2 PRO 12 -27.174 -0.849 -5.266 90 HG3 PRO 12 HG3 PRO 12 -27.354 0.516 -4.150 91 HD2 PRO 12 HD2 PRO 12 -25.026 -1.322 -4.534 92 HD3 PRO 12 HD3 PRO 12 -25.049 0.443 -4.356 93 H GLY 13 H GLY 13 -24.782 -2.268 -0.466 94 HA2 GLY 13 HA2 GLY 13 -24.015 -4.322 0.251 95 HA3 GLY 13 HA3 GLY 13 -25.509 -5.018 -0.364 96 H PHE 14 H PHE 14 -22.913 -3.272 -1.992 97 HA PHE 14 HA PHE 14 -22.889 -4.805 -4.318 98 HB2 PHE 14 HB2 PHE 14 -21.521 -2.579 -3.356 99 HB3 PHE 14 HB3 PHE 14 -20.256 -3.754 -3.682 100 HD1 PHE 14 HD1 PHE 14 -23.151 -2.015 -5.218 101 HD2 PHE 14 HD2 PHE 14 -19.524 -4.144 -5.859 102 HE1 PHE 14 HE1 PHE 14 -23.241 -1.439 -7.606 103 HE2 PHE 14 HE2 PHE 14 -19.606 -3.569 -8.249 104 HZ PHE 14 HZ PHE 14 -21.467 -2.218 -9.125 105 H SER 15 H SER 15 -20.452 -5.583 -4.972 106 HA SER 15 HA SER 15 -20.078 -8.140 -3.972 107 HB2 SER 15 HB2 SER 15 -17.941 -6.391 -5.201 108 HB3 SER 15 HB3 SER 15 -18.060 -8.150 -5.266 109 HG SER 15 HG SER 15 -20.089 -7.796 -6.424 110 H THR 16 H THR 16 -18.153 -8.961 -2.869 111 HA THR 16 HA THR 16 -18.044 -7.913 -0.276 112 HB THR 16 HB THR 16 -16.028 -9.842 -1.415 113 HG1 THR 16 HG1 THR 16 -18.596 -10.579 -0.434 114 HG21 THR 16 HG21 THR 16 -16.167 -10.849 0.816 115 HG22 THR 16 HG22 THR 16 -17.364 -9.642 1.288 116 HG23 THR 16 HG23 THR 16 -15.712 -9.149 0.916 117 H LEU 17 H LEU 17 -16.179 -7.223 -3.059 118 HA LEU 17 HA LEU 17 -13.779 -6.353 -1.970 119 HB2 LEU 17 HB2 LEU 17 -14.278 -6.583 -4.387 120 HB3 LEU 17 HB3 LEU 17 -15.281 -5.149 -4.295 121 HG LEU 17 HG LEU 17 -13.279 -3.827 -3.656 122 HD11 LEU 17 HD11 LEU 17 -11.065 -4.804 -3.957 123 HD12 LEU 17 HD12 LEU 17 -11.794 -6.379 -4.267 124 HD13 LEU 17 HD13 LEU 17 -11.955 -5.631 -2.679 125 HD21 LEU 17 HD21 LEU 17 -14.029 -3.929 -5.973 126 HD22 LEU 17 HD22 LEU 17 -13.040 -5.366 -6.237 127 HD23 LEU 17 HD23 LEU 17 -12.272 -3.819 -5.876 128 H VAL 18 H VAL 18 -16.952 -4.788 -2.001 129 HA VAL 18 HA VAL 18 -15.821 -2.232 -1.182 130 HB VAL 18 HB VAL 18 -17.977 -1.322 -1.212 131 HG11 VAL 18 HG11 VAL 18 -17.908 -3.480 -3.298 132 HG12 VAL 18 HG12 VAL 18 -17.203 -1.867 -3.417 133 HG13 VAL 18 HG13 VAL 18 -18.954 -2.059 -3.337 134 HG21 VAL 18 HG21 VAL 18 -19.114 -2.937 0.235 135 HG22 VAL 18 HG22 VAL 18 -19.144 -4.106 -1.096 136 HG23 VAL 18 HG23 VAL 18 -20.067 -2.603 -1.224 137 H THR 19 H THR 19 -17.122 -5.068 0.247 138 HA THR 19 HA THR 19 -17.531 -3.827 2.806 139 HB THR 19 HB THR 19 -17.456 -6.788 2.454 140 HG1 THR 19 HG1 THR 19 -19.329 -6.767 1.357 141 HG21 THR 19 HG21 THR 19 -19.350 -6.592 4.076 142 HG22 THR 19 HG22 THR 19 -19.080 -4.845 4.101 143 HG23 THR 19 HG23 THR 19 -17.826 -5.942 4.681 144 H ALA 20 H ALA 20 -15.033 -5.592 1.181 145 HA ALA 20 HA ALA 20 -13.548 -6.441 3.392 146 HB1 ALA 20 HB1 ALA 20 -11.729 -6.739 1.873 147 HB2 ALA 20 HB2 ALA 20 -12.482 -5.656 0.703 148 HB3 ALA 20 HB3 ALA 20 -13.229 -7.207 1.073 149 H VAL 21 H VAL 21 -13.498 -3.332 1.682 150 HA VAL 21 HA VAL 21 -11.510 -2.237 3.457 151 HB VAL 21 HB VAL 21 -11.554 -1.099 1.420 152 HG11 VAL 21 HG11 VAL 21 -14.556 -0.852 1.675 153 HG12 VAL 21 HG12 VAL 21 -13.694 -1.921 0.568 154 HG13 VAL 21 HG13 VAL 21 -13.576 -0.172 0.376 155 HG21 VAL 21 HG21 VAL 21 -11.394 0.460 3.239 156 HG22 VAL 21 HG22 VAL 21 -13.155 0.504 3.402 157 HG23 VAL 21 HG23 VAL 21 -12.381 1.182 1.963 158 H LYS 22 H LYS 22 -15.034 -2.289 3.334 159 HA LYS 22 HA LYS 22 -15.523 -0.439 5.373 160 HB2 LYS 22 HB2 LYS 22 -17.061 -2.578 4.031 161 HB3 LYS 22 HB3 LYS 22 -17.667 -2.073 5.589 162 HG2 LYS 22 HG2 LYS 22 -17.684 0.240 4.730 163 HG3 LYS 22 HG3 LYS 22 -17.248 -0.370 3.152 164 HD2 LYS 22 HD2 LYS 22 -19.706 -1.183 4.668 165 HD3 LYS 22 HD3 LYS 22 -19.653 0.083 3.446 166 HE2 LYS 22 HE2 LYS 22 -18.877 -1.565 1.801 167 HE3 LYS 22 HE3 LYS 22 -19.006 -2.815 3.017 168 HZ1 LYS 22 HZ1 LYS 22 -21.391 -2.274 3.198 169 HZ2 LYS 22 HZ2 LYS 22 -20.957 -2.853 1.675 170 HZ3 LYS 22 HZ3 LYS 22 -21.220 -1.199 1.905 171 H VAL 23 H VAL 23 -14.985 -3.906 5.435 172 HA VAL 23 HA VAL 23 -15.488 -4.193 8.248 173 HB VAL 23 HB VAL 23 -15.803 -6.095 6.742 174 HG11 VAL 23 HG11 VAL 23 -13.901 -7.239 5.730 175 HG12 VAL 23 HG12 VAL 23 -12.814 -5.986 6.335 176 HG13 VAL 23 HG13 VAL 23 -14.043 -5.581 5.129 177 HG21 VAL 23 HG21 VAL 23 -14.664 -7.772 8.066 178 HG22 VAL 23 HG22 VAL 23 -15.229 -6.458 9.104 179 HG23 VAL 23 HG23 VAL 23 -13.527 -6.557 8.655 180 H ALA 24 H ALA 24 -12.707 -3.726 6.205 181 HA ALA 24 HA ALA 24 -10.734 -4.143 8.213 182 HB1 ALA 24 HB1 ALA 24 -10.452 -2.595 5.669 183 HB2 ALA 24 HB2 ALA 24 -10.348 -4.350 5.777 184 HB3 ALA 24 HB3 ALA 24 -9.172 -3.340 6.622 185 H ASN 25 H ASN 25 -12.921 -1.719 7.695 186 HA ASN 25 HA ASN 25 -13.345 0.271 8.552 187 HB2 ASN 25 HB2 ASN 25 -12.574 0.795 10.636 188 HB3 ASN 25 HB3 ASN 25 -12.258 -0.923 10.549 189 HD21 ASN 25 HD21 ASN 25 -10.586 2.192 10.036 190 HD22 ASN 25 HD22 ASN 25 -9.063 1.635 10.643 191 H LEU 26 H LEU 26 -11.341 -0.146 6.295 192 HA LEU 26 HA LEU 26 -9.921 2.387 6.459 193 HB2 LEU 26 HB2 LEU 26 -9.681 0.022 4.688 194 HB3 LEU 26 HB3 LEU 26 -9.165 1.585 4.068 195 HG LEU 26 HG LEU 26 -7.721 1.810 6.131 196 HD11 LEU 26 HD11 LEU 26 -8.759 0.203 7.551 197 HD12 LEU 26 HD12 LEU 26 -7.107 -0.320 7.221 198 HD13 LEU 26 HD13 LEU 26 -8.457 -1.088 6.389 199 HD21 LEU 26 HD21 LEU 26 -5.963 0.320 5.241 200 HD22 LEU 26 HD22 LEU 26 -6.741 1.306 4.005 201 HD23 LEU 26 HD23 LEU 26 -7.164 -0.400 4.165 202 H VAL 27 H VAL 27 -12.935 1.730 5.809 203 HA VAL 27 HA VAL 27 -13.458 2.923 3.334 204 HB VAL 27 HB VAL 27 -14.992 2.097 5.602 205 HG11 VAL 27 HG11 VAL 27 -16.840 3.692 5.510 206 HG12 VAL 27 HG12 VAL 27 -15.903 4.716 4.422 207 HG13 VAL 27 HG13 VAL 27 -15.354 4.458 6.081 208 HG21 VAL 27 HG21 VAL 27 -15.649 2.691 2.724 209 HG22 VAL 27 HG22 VAL 27 -16.784 1.954 3.853 210 HG23 VAL 27 HG23 VAL 27 -15.281 1.117 3.448 211 H GLU 28 H GLU 28 -12.910 4.286 6.502 212 HA GLU 28 HA GLU 28 -13.208 7.001 5.543 213 HB2 GLU 28 HB2 GLU 28 -12.323 7.480 7.935 214 HB3 GLU 28 HB3 GLU 28 -13.933 6.808 7.720 215 HG2 GLU 28 HG2 GLU 28 -13.051 4.573 8.175 216 HG3 GLU 28 HG3 GLU 28 -11.453 5.269 8.452 217 H ALA 29 H ALA 29 -10.663 4.726 5.742 218 HA ALA 29 HA ALA 29 -8.551 6.619 6.021 219 HB1 ALA 29 HB1 ALA 29 -7.049 4.756 5.802 220 HB2 ALA 29 HB2 ALA 29 -8.358 3.732 5.213 221 HB3 ALA 29 HB3 ALA 29 -8.378 4.314 6.880 222 H LEU 30 H LEU 30 -9.544 4.435 3.393 223 HA LEU 30 HA LEU 30 -7.835 5.297 1.401 224 HB2 LEU 30 HB2 LEU 30 -10.676 4.507 0.893 225 HB3 LEU 30 HB3 LEU 30 -9.311 4.336 -0.185 226 HG LEU 30 HG LEU 30 -9.854 2.772 2.320 227 HD11 LEU 30 HD11 LEU 30 -9.672 1.993 -0.574 228 HD12 LEU 30 HD12 LEU 30 -11.151 2.128 0.376 229 HD13 LEU 30 HD13 LEU 30 -9.956 0.891 0.773 230 HD21 LEU 30 HD21 LEU 30 -7.836 1.488 1.735 231 HD22 LEU 30 HD22 LEU 30 -7.493 3.146 2.231 232 HD23 LEU 30 HD23 LEU 30 -7.445 2.710 0.521 233 H GLN 31 H GLN 31 -10.295 7.074 2.829 234 HA GLN 31 HA GLN 31 -11.366 8.524 0.662 235 HB2 GLN 31 HB2 GLN 31 -11.185 9.302 3.567 236 HB3 GLN 31 HB3 GLN 31 -12.233 10.042 2.363 237 HG2 GLN 31 HG2 GLN 31 -12.375 7.118 2.850 238 HG3 GLN 31 HG3 GLN 31 -13.140 8.234 3.968 239 HE21 GLN 31 HE21 GLN 31 -14.081 6.211 1.992 240 HE22 GLN 31 HE22 GLN 31 -15.332 7.052 1.150 241 H SER 32 H SER 32 -8.291 8.681 2.002 242 HA SER 32 HA SER 32 -7.637 11.362 2.111 243 HB2 SER 32 HB2 SER 32 -5.919 9.112 1.049 244 HB3 SER 32 HB3 SER 32 -5.335 10.664 1.646 245 HG SER 32 HG SER 32 -6.940 9.495 3.474 246 HA PRO 33 HA PRO 33 -8.319 12.373 -2.214 247 HB2 PRO 33 HB2 PRO 33 -8.350 15.039 -1.903 248 HB3 PRO 33 HB3 PRO 33 -9.709 14.022 -1.413 249 HG2 PRO 33 HG2 PRO 33 -7.580 15.286 0.249 250 HG3 PRO 33 HG3 PRO 33 -9.299 15.059 0.611 251 HD2 PRO 33 HD2 PRO 33 -7.247 13.461 1.564 252 HD3 PRO 33 HD3 PRO 33 -8.951 12.979 1.466 253 H GLY 34 H GLY 34 -5.647 13.275 -0.223 254 HA2 GLY 34 HA2 GLY 34 -4.339 14.957 -2.131 255 HA3 GLY 34 HA3 GLY 34 -3.671 14.387 -0.615 256 HA PRO 35 HA PRO 35 -1.115 12.349 -3.695 257 HB2 PRO 35 HB2 PRO 35 1.047 12.030 -2.104 258 HB3 PRO 35 HB3 PRO 35 0.647 13.554 -2.899 259 HG2 PRO 35 HG2 PRO 35 0.329 12.750 -0.070 260 HG3 PRO 35 HG3 PRO 35 0.649 14.348 -0.754 261 HD2 PRO 35 HD2 PRO 35 -1.819 13.417 0.155 262 HD3 PRO 35 HD3 PRO 35 -1.557 14.834 -0.876 263 H PHE 36 H PHE 36 0.077 10.268 -3.822 264 HA PHE 36 HA PHE 36 -0.997 8.256 -1.993 265 HB2 PHE 36 HB2 PHE 36 -1.339 8.247 -5.001 266 HB3 PHE 36 HB3 PHE 36 -1.631 6.854 -3.973 267 HD1 PHE 36 HD1 PHE 36 -3.101 7.850 -1.735 268 HD2 PHE 36 HD2 PHE 36 -3.327 9.023 -5.817 269 HE1 PHE 36 HE1 PHE 36 -5.419 8.595 -1.390 270 HE2 PHE 36 HE2 PHE 36 -5.641 9.777 -5.479 271 HZ PHE 36 HZ PHE 36 -6.689 9.566 -3.264 272 H THR 37 H THR 37 0.600 6.993 -1.365 273 HA THR 37 HA THR 37 2.882 6.600 -3.165 274 HB THR 37 HB THR 37 2.654 6.375 -0.155 275 HG1 THR 37 HG1 THR 37 3.358 8.357 -0.283 276 HG21 THR 37 HG21 THR 37 5.098 5.897 -0.222 277 HG22 THR 37 HG22 THR 37 4.967 5.700 -1.972 278 HG23 THR 37 HG23 THR 37 4.106 4.601 -0.895 279 H VAL 38 H VAL 38 3.414 4.575 -3.824 280 HA VAL 38 HA VAL 38 1.831 2.356 -2.721 281 HB VAL 38 HB VAL 38 1.075 3.250 -5.029 282 HG11 VAL 38 HG11 VAL 38 3.458 1.660 -5.933 283 HG12 VAL 38 HG12 VAL 38 3.352 3.417 -5.945 284 HG13 VAL 38 HG13 VAL 38 2.262 2.462 -6.951 285 HG21 VAL 38 HG21 VAL 38 0.531 1.003 -5.810 286 HG22 VAL 38 HG22 VAL 38 0.304 1.139 -4.065 287 HG23 VAL 38 HG23 VAL 38 1.729 0.323 -4.709 288 H PHE 39 H PHE 39 2.823 0.327 -2.770 289 HA PHE 39 HA PHE 39 5.693 0.323 -3.399 290 HB2 PHE 39 HB2 PHE 39 4.146 -1.522 -1.555 291 HB3 PHE 39 HB3 PHE 39 5.867 -1.632 -1.898 292 HD1 PHE 39 HD1 PHE 39 7.344 0.327 -1.257 293 HD2 PHE 39 HD2 PHE 39 3.358 -0.143 0.158 294 HE1 PHE 39 HE1 PHE 39 7.823 1.878 0.593 295 HE2 PHE 39 HE2 PHE 39 3.829 1.406 2.011 296 HZ PHE 39 HZ PHE 39 6.064 2.420 2.228 297 H ALA 40 H ALA 40 6.034 -0.497 -5.336 298 HA ALA 40 HA ALA 40 3.958 -2.165 -6.542 299 HB1 ALA 40 HB1 ALA 40 4.942 -1.553 -8.669 300 HB2 ALA 40 HB2 ALA 40 6.276 -0.745 -7.845 301 HB3 ALA 40 HB3 ALA 40 4.637 -0.106 -7.709 302 HA PRO 41 HA PRO 41 6.877 -5.502 -5.920 303 HB2 PRO 41 HB2 PRO 41 5.130 -7.502 -6.357 304 HB3 PRO 41 HB3 PRO 41 5.136 -6.579 -4.845 305 HG2 PRO 41 HG2 PRO 41 3.324 -6.343 -7.215 306 HG3 PRO 41 HG3 PRO 41 2.932 -6.250 -5.489 307 HD2 PRO 41 HD2 PRO 41 3.252 -4.065 -7.128 308 HD3 PRO 41 HD3 PRO 41 3.474 -4.037 -5.368 309 H ASN 42 H ASN 42 8.274 -6.228 -7.447 310 HA ASN 42 HA ASN 42 7.618 -5.990 -10.229 311 HB2 ASN 42 HB2 ASN 42 9.828 -6.530 -10.714 312 HB3 ASN 42 HB3 ASN 42 9.978 -5.867 -9.119 313 HD21 ASN 42 HD21 ASN 42 10.622 -7.077 -7.487 314 HD22 ASN 42 HD22 ASN 42 11.255 -8.678 -7.688 315 H ASP 43 H ASP 43 8.497 -8.161 -11.527 316 HA ASP 43 HA ASP 43 6.242 -9.797 -11.463 317 HB2 ASP 43 HB2 ASP 43 8.966 -10.321 -12.642 318 HB3 ASP 43 HB3 ASP 43 7.589 -11.395 -12.858 319 H ASP 44 H ASP 44 9.171 -10.037 -9.559 320 HA ASP 44 HA ASP 44 8.660 -12.843 -8.927 321 HB2 ASP 44 HB2 ASP 44 10.976 -11.984 -9.259 322 HB3 ASP 44 HB3 ASP 44 10.765 -11.006 -7.818 323 H ALA 45 H ALA 45 8.125 -9.707 -7.726 324 HA ALA 45 HA ALA 45 7.462 -10.578 -5.048 325 HB1 ALA 45 HB1 ALA 45 8.525 -8.427 -5.366 326 HB2 ALA 45 HB2 ALA 45 6.915 -8.236 -4.669 327 HB3 ALA 45 HB3 ALA 45 7.184 -7.901 -6.383 328 H PHE 46 H PHE 46 5.925 -9.635 -8.041 329 HA PHE 46 HA PHE 46 3.232 -9.721 -7.203 330 HB2 PHE 46 HB2 PHE 46 4.255 -8.891 -9.419 331 HB3 PHE 46 HB3 PHE 46 4.263 -10.575 -9.913 332 HD1 PHE 46 HD1 PHE 46 2.132 -11.770 -10.267 333 HD2 PHE 46 HD2 PHE 46 2.252 -7.615 -9.353 334 HE1 PHE 46 HE1 PHE 46 -0.191 -11.536 -11.040 335 HE2 PHE 46 HE2 PHE 46 -0.072 -7.376 -10.121 336 HZ PHE 46 HZ PHE 46 -1.296 -9.336 -10.965 337 H ALA 47 H ALA 47 5.637 -12.030 -7.642 338 HA ALA 47 HA ALA 47 3.961 -14.346 -7.995 339 HB1 ALA 47 HB1 ALA 47 6.120 -15.558 -7.775 340 HB2 ALA 47 HB2 ALA 47 6.913 -14.001 -7.505 341 HB3 ALA 47 HB3 ALA 47 6.112 -14.332 -9.040 342 H LYS 48 H LYS 48 4.878 -12.402 -5.424 343 HA LYS 48 HA LYS 48 4.756 -14.476 -3.368 344 HB2 LYS 48 HB2 LYS 48 4.790 -11.513 -2.889 345 HB3 LYS 48 HB3 LYS 48 5.358 -12.809 -1.847 346 HG2 LYS 48 HG2 LYS 48 6.625 -12.043 -4.452 347 HG3 LYS 48 HG3 LYS 48 7.174 -11.483 -2.872 348 HD2 LYS 48 HD2 LYS 48 6.994 -14.359 -3.752 349 HD3 LYS 48 HD3 LYS 48 8.474 -13.390 -3.734 350 HE2 LYS 48 HE2 LYS 48 8.142 -13.056 -1.286 351 HE3 LYS 48 HE3 LYS 48 6.784 -14.177 -1.364 352 HZ1 LYS 48 HZ1 LYS 48 8.308 -15.888 -2.159 353 HZ2 LYS 48 HZ2 LYS 48 8.779 -15.301 -0.646 354 HZ3 LYS 48 HZ3 LYS 48 9.605 -14.809 -2.037 355 H LEU 49 H LEU 49 2.867 -12.098 -4.923 356 HA LEU 49 HA LEU 49 0.824 -11.560 -3.177 357 HB2 LEU 49 HB2 LEU 49 0.869 -11.796 -6.161 358 HB3 LEU 49 HB3 LEU 49 -0.516 -11.193 -5.280 359 HG LEU 49 HG LEU 49 2.249 -9.996 -5.326 360 HD11 LEU 49 HD11 LEU 49 -0.370 -8.923 -6.323 361 HD12 LEU 49 HD12 LEU 49 0.918 -9.581 -7.331 362 HD13 LEU 49 HD13 LEU 49 1.194 -8.114 -6.391 363 HD21 LEU 49 HD21 LEU 49 1.376 -9.732 -3.131 364 HD22 LEU 49 HD22 LEU 49 -0.192 -9.219 -3.755 365 HD23 LEU 49 HD23 LEU 49 1.222 -8.187 -3.970 366 HA PRO 50 HA PRO 50 -1.838 -15.123 -5.180 367 HB2 PRO 50 HB2 PRO 50 -0.371 -17.377 -5.829 368 HB3 PRO 50 HB3 PRO 50 -0.946 -16.168 -6.979 369 HG2 PRO 50 HG2 PRO 50 1.749 -16.482 -5.746 370 HG3 PRO 50 HG3 PRO 50 1.315 -15.990 -7.393 371 HD2 PRO 50 HD2 PRO 50 2.116 -14.214 -5.532 372 HD3 PRO 50 HD3 PRO 50 0.891 -13.798 -6.759 373 H ASP 51 H ASP 51 -2.427 -15.166 -3.028 374 HA ASP 51 HA ASP 51 -2.790 -16.015 -0.967 375 HB2 ASP 51 HB2 ASP 51 -2.108 -18.547 -2.464 376 HB3 ASP 51 HB3 ASP 51 -2.731 -18.535 -0.816 377 H GLY 52 H GLY 52 -0.472 -14.773 -0.975 378 HA2 GLY 52 HA2 GLY 52 1.217 -16.504 0.712 379 HA3 GLY 52 HA3 GLY 52 1.927 -15.438 -0.491 380 H THR 53 H THR 53 2.284 -13.371 -0.016 381 HA THR 53 HA THR 53 2.561 -12.573 2.626 382 HB THR 53 HB THR 53 2.315 -10.796 0.206 383 HG1 THR 53 HG1 THR 53 4.806 -10.966 0.719 384 HG21 THR 53 HG21 THR 53 3.805 -9.297 1.594 385 HG22 THR 53 HG22 THR 53 3.422 -10.335 2.967 386 HG23 THR 53 HG23 THR 53 2.137 -9.446 2.147 387 H ILE 54 H ILE 54 0.201 -11.342 0.247 388 HA ILE 54 HA ILE 54 -1.079 -9.628 2.042 389 HB ILE 54 HB ILE 54 -1.625 -10.593 -0.673 390 HG12 ILE 54 HG12 ILE 54 -2.137 -8.113 -0.914 391 HG13 ILE 54 HG13 ILE 54 -1.683 -7.943 0.784 392 HG21 ILE 54 HG21 ILE 54 -3.882 -9.550 1.027 393 HG22 ILE 54 HG22 ILE 54 -3.785 -11.122 0.234 394 HG23 ILE 54 HG23 ILE 54 -3.909 -9.653 -0.733 395 HD11 ILE 54 HD11 ILE 54 0.146 -7.362 -0.675 396 HD12 ILE 54 HD12 ILE 54 0.083 -8.957 -1.424 397 HD13 ILE 54 HD13 ILE 54 0.533 -8.796 0.276 398 H THR 55 H THR 55 -1.414 -13.003 1.518 399 HA THR 55 HA THR 55 -3.937 -13.401 2.687 400 HB THR 55 HB THR 55 -1.578 -15.241 2.546 401 HG1 THR 55 HG1 THR 55 -3.916 -15.358 0.962 402 HG21 THR 55 HG21 THR 55 -3.270 -15.808 4.316 403 HG22 THR 55 HG22 THR 55 -3.088 -17.039 3.060 404 HG23 THR 55 HG23 THR 55 -4.472 -15.944 3.032 405 H SER 56 H SER 56 -0.702 -13.217 4.072 406 HA SER 56 HA SER 56 -1.627 -13.807 6.718 407 HB2 SER 56 HB2 SER 56 0.654 -14.421 6.044 408 HB3 SER 56 HB3 SER 56 1.025 -12.726 5.734 409 HG SER 56 HG SER 56 1.773 -13.455 7.784 410 H LEU 57 H LEU 57 -1.114 -11.120 4.713 411 HA LEU 57 HA LEU 57 -1.134 -9.078 6.685 412 HB2 LEU 57 HB2 LEU 57 -1.235 -9.236 3.780 413 HB3 LEU 57 HB3 LEU 57 -1.888 -7.780 4.481 414 HG LEU 57 HG LEU 57 0.235 -7.300 5.539 415 HD11 LEU 57 HD11 LEU 57 2.218 -8.670 5.133 416 HD12 LEU 57 HD12 LEU 57 1.220 -9.860 4.298 417 HD13 LEU 57 HD13 LEU 57 0.979 -9.561 6.019 418 HD21 LEU 57 HD21 LEU 57 1.639 -7.041 3.481 419 HD22 LEU 57 HD22 LEU 57 -0.007 -6.429 3.333 420 HD23 LEU 57 HD23 LEU 57 0.424 -7.978 2.609 421 H VAL 58 H VAL 58 -3.619 -10.809 4.905 422 HA VAL 58 HA VAL 58 -5.703 -8.966 5.646 423 HB VAL 58 HB VAL 58 -5.842 -10.490 3.643 424 HG11 VAL 58 HG11 VAL 58 -6.203 -12.548 5.817 425 HG12 VAL 58 HG12 VAL 58 -5.039 -12.552 4.479 426 HG13 VAL 58 HG13 VAL 58 -6.761 -12.793 4.154 427 HG21 VAL 58 HG21 VAL 58 -7.782 -9.313 4.733 428 HG22 VAL 58 HG22 VAL 58 -8.146 -10.836 5.549 429 HG23 VAL 58 HG23 VAL 58 -8.197 -10.745 3.789 430 H GLN 59 H GLN 59 -4.203 -11.792 6.998 431 HA GLN 59 HA GLN 59 -6.177 -12.328 8.961 432 HB2 GLN 59 HB2 GLN 59 -3.229 -12.901 9.188 433 HB3 GLN 59 HB3 GLN 59 -4.559 -13.808 9.890 434 HG2 GLN 59 HG2 GLN 59 -4.448 -13.540 6.955 435 HG3 GLN 59 HG3 GLN 59 -3.303 -14.617 7.719 436 HE21 GLN 59 HE21 GLN 59 -5.389 -15.253 5.897 437 HE22 GLN 59 HE22 GLN 59 -6.475 -16.335 6.699 438 H ASN 60 H ASN 60 -3.551 -10.235 8.577 439 HA ASN 60 HA ASN 60 -3.162 -9.435 11.268 440 HB2 ASN 60 HB2 ASN 60 -1.967 -8.985 8.640 441 HB3 ASN 60 HB3 ASN 60 -1.940 -7.576 9.669 442 HD21 ASN 60 HD21 ASN 60 -0.779 -10.768 9.165 443 HD22 ASN 60 HD22 ASN 60 0.443 -10.746 10.392 444 HA PRO 61 HA PRO 61 -5.689 -5.781 11.951 445 HB2 PRO 61 HB2 PRO 61 -3.096 -4.315 11.550 446 HB3 PRO 61 HB3 PRO 61 -4.346 -4.055 12.769 447 HG2 PRO 61 HG2 PRO 61 -2.162 -5.399 13.398 448 HG3 PRO 61 HG3 PRO 61 -3.746 -5.942 13.980 449 HD2 PRO 61 HD2 PRO 61 -2.011 -7.095 11.869 450 HD3 PRO 61 HD3 PRO 61 -3.170 -7.897 12.945 451 HA PRO 62 HA PRO 62 -7.625 -3.707 8.739 452 HB2 PRO 62 HB2 PRO 62 -6.029 -1.266 9.278 453 HB3 PRO 62 HB3 PRO 62 -7.755 -1.421 8.935 454 HG2 PRO 62 HG2 PRO 62 -6.869 -1.183 11.438 455 HG3 PRO 62 HG3 PRO 62 -8.238 -2.230 11.034 456 HD2 PRO 62 HD2 PRO 62 -5.529 -2.947 11.887 457 HD3 PRO 62 HD3 PRO 62 -7.009 -3.917 11.919 458 H GLN 63 H GLN 63 -4.227 -3.792 8.267 459 HA GLN 63 HA GLN 63 -3.623 -2.452 5.999 460 HB2 GLN 63 HB2 GLN 63 -1.804 -3.601 6.597 461 HB3 GLN 63 HB3 GLN 63 -2.742 -4.926 7.257 462 HG2 GLN 63 HG2 GLN 63 -1.875 -6.079 5.595 463 HG3 GLN 63 HG3 GLN 63 -3.080 -5.249 4.612 464 HE21 GLN 63 HE21 GLN 63 -1.974 -5.267 2.855 465 HE22 GLN 63 HE22 GLN 63 -0.527 -4.393 2.548 466 H LEU 64 H LEU 64 -5.837 -5.137 6.124 467 HA LEU 64 HA LEU 64 -5.879 -6.036 3.521 468 HB2 LEU 64 HB2 LEU 64 -7.220 -7.205 5.010 469 HB3 LEU 64 HB3 LEU 64 -7.967 -5.749 5.634 470 HG LEU 64 HG LEU 64 -9.037 -5.508 3.350 471 HD11 LEU 64 HD11 LEU 64 -8.223 -8.399 3.151 472 HD12 LEU 64 HD12 LEU 64 -7.650 -7.080 2.135 473 HD13 LEU 64 HD13 LEU 64 -9.342 -7.569 2.073 474 HD21 LEU 64 HD21 LEU 64 -10.177 -6.232 5.456 475 HD22 LEU 64 HD22 LEU 64 -9.912 -7.905 4.939 476 HD23 LEU 64 HD23 LEU 64 -10.905 -6.823 3.955 477 H GLY 65 H GLY 65 -7.686 -3.335 4.910 478 HA2 GLY 65 HA2 GLY 65 -9.311 -2.695 2.766 479 HA3 GLY 65 HA3 GLY 65 -8.754 -1.536 3.950 480 H ARG 66 H ARG 66 -5.964 -1.931 3.213 481 HA ARG 66 HA ARG 66 -5.798 0.034 1.145 482 HB2 ARG 66 HB2 ARG 66 -4.153 0.354 2.681 483 HB3 ARG 66 HB3 ARG 66 -3.988 -1.361 3.017 484 HG2 ARG 66 HG2 ARG 66 -3.108 -0.616 0.346 485 HG3 ARG 66 HG3 ARG 66 -2.227 0.169 1.642 486 HD2 ARG 66 HD2 ARG 66 -2.048 -2.147 2.694 487 HD3 ARG 66 HD3 ARG 66 -2.532 -2.745 1.106 488 HE ARG 66 HE ARG 66 -0.518 -1.849 0.192 489 HH11 ARG 66 HH11 ARG 66 -0.701 -1.636 3.680 490 HH12 ARG 66 HH12 ARG 66 1.004 -1.448 3.892 491 HH21 ARG 66 HH21 ARG 66 1.752 -1.600 0.476 492 HH22 ARG 66 HH22 ARG 66 2.399 -1.441 2.075 493 H ILE 67 H ILE 67 -4.707 -3.279 1.492 494 HA ILE 67 HA ILE 67 -3.762 -3.964 -0.942 495 HB ILE 67 HB ILE 67 -5.727 -5.596 0.658 496 HG12 ILE 67 HG12 ILE 67 -2.715 -5.468 0.845 497 HG13 ILE 67 HG13 ILE 67 -3.829 -4.728 1.985 498 HG21 ILE 67 HG21 ILE 67 -3.614 -6.452 -1.309 499 HG22 ILE 67 HG22 ILE 67 -5.357 -6.507 -1.561 500 HG23 ILE 67 HG23 ILE 67 -4.611 -7.532 -0.334 501 HD11 ILE 67 HD11 ILE 67 -4.723 -6.964 2.499 502 HD12 ILE 67 HD12 ILE 67 -3.017 -6.782 2.894 503 HD13 ILE 67 HD13 ILE 67 -3.500 -7.661 1.444 504 H LEU 68 H LEU 68 -7.225 -3.766 -0.120 505 HA LEU 68 HA LEU 68 -8.261 -5.266 -2.147 506 HB2 LEU 68 HB2 LEU 68 -9.353 -2.976 -0.606 507 HB3 LEU 68 HB3 LEU 68 -10.278 -3.587 -1.958 508 HG LEU 68 HG LEU 68 -11.206 -4.978 -0.499 509 HD11 LEU 68 HD11 LEU 68 -9.749 -6.545 -1.633 510 HD12 LEU 68 HD12 LEU 68 -10.011 -7.025 0.042 511 HD13 LEU 68 HD13 LEU 68 -8.492 -6.263 -0.429 512 HD21 LEU 68 HD21 LEU 68 -10.404 -3.588 1.345 513 HD22 LEU 68 HD22 LEU 68 -8.912 -4.526 1.397 514 HD23 LEU 68 HD23 LEU 68 -10.458 -5.298 1.789 515 H LYS 69 H LYS 69 -8.146 -1.653 -2.387 516 HA LYS 69 HA LYS 69 -9.040 -2.041 -5.126 517 HB2 LYS 69 HB2 LYS 69 -8.970 0.268 -3.252 518 HB3 LYS 69 HB3 LYS 69 -9.016 0.598 -4.976 519 HG2 LYS 69 HG2 LYS 69 -11.012 -1.157 -3.565 520 HG3 LYS 69 HG3 LYS 69 -11.240 0.572 -3.842 521 HD2 LYS 69 HD2 LYS 69 -10.963 0.165 -6.276 522 HD3 LYS 69 HD3 LYS 69 -10.879 -1.564 -5.942 523 HE2 LYS 69 HE2 LYS 69 -13.127 -1.512 -5.012 524 HE3 LYS 69 HE3 LYS 69 -13.210 0.230 -5.273 525 HZ1 LYS 69 HZ1 LYS 69 -13.030 -0.153 -7.651 526 HZ2 LYS 69 HZ2 LYS 69 -14.355 -0.985 -7.016 527 HZ3 LYS 69 HZ3 LYS 69 -12.939 -1.825 -7.405 528 H TYR 70 H TYR 70 -6.636 0.301 -3.840 529 HA TYR 70 HA TYR 70 -5.070 -0.359 -6.161 530 HB2 TYR 70 HB2 TYR 70 -4.667 2.015 -6.484 531 HB3 TYR 70 HB3 TYR 70 -6.356 1.555 -6.470 532 HD1 TYR 70 HD1 TYR 70 -7.351 1.732 -3.860 533 HD2 TYR 70 HD2 TYR 70 -4.389 4.163 -5.712 534 HE1 TYR 70 HE1 TYR 70 -7.992 3.602 -2.408 535 HE2 TYR 70 HE2 TYR 70 -5.014 6.040 -4.250 536 HH TYR 70 HH TYR 70 -7.061 6.766 -2.957 537 H HIS 71 H HIS 71 -4.786 -0.945 -3.083 538 HA HIS 71 HA HIS 71 -2.955 -1.714 -1.941 539 HB2 HIS 71 HB2 HIS 71 -2.511 -2.639 -4.233 540 HB3 HIS 71 HB3 HIS 71 -1.532 -1.228 -4.575 541 HD1 HIS 71 HD1 HIS 71 -1.508 -4.461 -2.687 542 HD2 HIS 71 HD2 HIS 71 1.055 -1.310 -3.555 543 HE1 HIS 71 HE1 HIS 71 0.781 -5.253 -2.028 544 HE2 HIS 71 HE2 HIS 71 2.327 -3.443 -2.851 545 H VAL 72 H VAL 72 -3.559 1.070 -1.741 546 HA VAL 72 HA VAL 72 -1.011 2.472 -2.136 547 HB VAL 72 HB VAL 72 -3.178 3.151 -3.306 548 HG11 VAL 72 HG11 VAL 72 -4.672 2.930 -1.425 549 HG12 VAL 72 HG12 VAL 72 -4.667 4.604 -1.984 550 HG13 VAL 72 HG13 VAL 72 -3.776 4.156 -0.529 551 HG21 VAL 72 HG21 VAL 72 -1.654 5.187 -1.686 552 HG22 VAL 72 HG22 VAL 72 -2.706 5.555 -3.050 553 HG23 VAL 72 HG23 VAL 72 -1.244 4.600 -3.298 554 H VAL 73 H VAL 73 -0.295 3.993 -0.693 555 HA VAL 73 HA VAL 73 -1.787 4.377 1.796 556 HB VAL 73 HB VAL 73 0.059 3.126 2.586 557 HG11 VAL 73 HG11 VAL 73 2.004 4.892 1.129 558 HG12 VAL 73 HG12 VAL 73 1.375 3.399 0.422 559 HG13 VAL 73 HG13 VAL 73 2.307 3.343 1.922 560 HG21 VAL 73 HG21 VAL 73 -0.412 5.194 3.818 561 HG22 VAL 73 HG22 VAL 73 0.836 6.015 2.866 562 HG23 VAL 73 HG23 VAL 73 1.274 4.688 3.945 563 H ALA 74 H ALA 74 -2.414 6.418 1.930 564 HA ALA 74 HA ALA 74 -1.659 8.406 0.057 565 HB1 ALA 74 HB1 ALA 74 -3.814 8.480 1.078 566 HB2 ALA 74 HB2 ALA 74 -2.931 9.921 1.590 567 HB3 ALA 74 HB3 ALA 74 -3.106 8.547 2.693 568 H GLY 75 H GLY 75 -0.469 10.221 0.246 569 HA2 GLY 75 HA2 GLY 75 0.885 11.743 1.561 570 HA3 GLY 75 HA3 GLY 75 1.324 10.378 2.579 571 H ALA 76 H ALA 76 1.966 12.083 -0.318 572 HA ALA 76 HA ALA 76 3.649 10.335 -1.670 573 HB1 ALA 76 HB1 ALA 76 3.808 13.342 -1.528 574 HB2 ALA 76 HB2 ALA 76 2.827 12.409 -2.655 575 HB3 ALA 76 HB3 ALA 76 4.586 12.323 -2.738 576 H TYR 77 H TYR 77 5.189 9.286 -0.662 577 HA TYR 77 HA TYR 77 7.184 10.858 0.871 578 HB2 TYR 77 HB2 TYR 77 7.075 7.868 1.052 579 HB3 TYR 77 HB3 TYR 77 7.704 9.035 2.200 580 HD1 TYR 77 HD1 TYR 77 5.769 10.639 3.217 581 HD2 TYR 77 HD2 TYR 77 5.196 6.734 1.628 582 HE1 TYR 77 HE1 TYR 77 3.738 10.382 4.585 583 HE2 TYR 77 HE2 TYR 77 3.159 6.466 2.972 584 HH TYR 77 HH TYR 77 1.584 8.975 4.449 585 H LYS 78 H LYS 78 9.040 11.204 -0.282 586 HA LYS 78 HA LYS 78 9.812 9.354 -2.341 587 HB2 LYS 78 HB2 LYS 78 11.026 11.840 -1.235 588 HB3 LYS 78 HB3 LYS 78 12.047 10.716 -2.121 589 HG2 LYS 78 HG2 LYS 78 11.324 11.770 -3.956 590 HG3 LYS 78 HG3 LYS 78 9.860 10.859 -3.701 591 HD2 LYS 78 HD2 LYS 78 9.337 12.890 -2.082 592 HD3 LYS 78 HD3 LYS 78 10.380 13.714 -3.252 593 HE2 LYS 78 HE2 LYS 78 9.012 12.850 -5.078 594 HE3 LYS 78 HE3 LYS 78 7.993 12.011 -3.900 595 HZ1 LYS 78 HZ1 LYS 78 8.327 14.967 -4.118 596 HZ2 LYS 78 HZ2 LYS 78 7.339 14.171 -3.003 597 HZ3 LYS 78 HZ3 LYS 78 6.989 14.088 -4.651 598 H ALA 79 H ALA 79 11.972 8.225 -2.170 599 HA ALA 79 HA ALA 79 11.741 6.320 -0.214 600 HB1 ALA 79 HB1 ALA 79 14.290 7.129 -1.598 601 HB2 ALA 79 HB2 ALA 79 13.079 6.015 -2.231 602 HB3 ALA 79 HB3 ALA 79 13.992 5.594 -0.779 603 H THR 80 H THR 80 13.390 9.387 -0.040 604 HA THR 80 HA THR 80 15.140 8.580 2.138 605 HB THR 80 HB THR 80 15.949 10.203 0.520 606 HG1 THR 80 HG1 THR 80 16.144 10.470 3.083 607 HG21 THR 80 HG21 THR 80 13.832 11.239 -0.111 608 HG22 THR 80 HG22 THR 80 15.013 12.462 0.357 609 HG23 THR 80 HG23 THR 80 13.724 12.007 1.472 610 H ASP 81 H ASP 81 11.981 10.063 1.873 611 HA ASP 81 HA ASP 81 11.898 11.145 4.508 612 HB2 ASP 81 HB2 ASP 81 10.249 11.734 2.720 613 HB3 ASP 81 HB3 ASP 81 9.594 10.102 2.830 614 H LEU 82 H LEU 82 10.876 8.124 3.028 615 HA LEU 82 HA LEU 82 9.984 6.765 5.244 616 HB2 LEU 82 HB2 LEU 82 11.369 5.785 2.761 617 HB3 LEU 82 HB3 LEU 82 10.584 4.722 3.907 618 HG LEU 82 HG LEU 82 8.756 4.962 2.650 619 HD11 LEU 82 HD11 LEU 82 8.709 7.813 3.558 620 HD12 LEU 82 HD12 LEU 82 8.193 6.442 4.535 621 HD13 LEU 82 HD13 LEU 82 7.333 6.834 3.046 622 HD21 LEU 82 HD21 LEU 82 8.525 6.542 0.839 623 HD22 LEU 82 HD22 LEU 82 10.101 5.754 0.802 624 HD23 LEU 82 HD23 LEU 82 9.956 7.405 1.405 625 H LYS 83 H LYS 83 13.321 6.652 3.930 626 HA LYS 83 HA LYS 83 14.302 5.012 5.912 627 HB2 LYS 83 HB2 LYS 83 16.248 6.748 4.610 628 HB3 LYS 83 HB3 LYS 83 16.065 5.012 4.653 629 HG2 LYS 83 HG2 LYS 83 14.356 5.177 2.982 630 HG3 LYS 83 HG3 LYS 83 14.795 6.878 2.807 631 HD2 LYS 83 HD2 LYS 83 16.645 4.531 2.385 632 HD3 LYS 83 HD3 LYS 83 15.921 5.510 1.113 633 HE2 LYS 83 HE2 LYS 83 18.000 6.463 1.257 634 HE3 LYS 83 HE3 LYS 83 17.101 7.479 2.379 635 HZ1 LYS 83 HZ1 LYS 83 19.207 6.827 3.328 636 HZ2 LYS 83 HZ2 LYS 83 18.851 5.191 3.107 637 HZ3 LYS 83 HZ3 LYS 83 17.956 6.106 4.205 638 H ARG 84 H ARG 84 14.256 8.563 5.613 639 HA ARG 84 HA ARG 84 15.798 9.284 7.759 640 HB2 ARG 84 HB2 ARG 84 13.989 10.529 6.137 641 HB3 ARG 84 HB3 ARG 84 13.223 10.632 7.712 642 HG2 ARG 84 HG2 ARG 84 14.871 11.926 8.607 643 HG3 ARG 84 HG3 ARG 84 16.093 11.283 7.503 644 HD2 ARG 84 HD2 ARG 84 15.173 12.505 5.693 645 HD3 ARG 84 HD3 ARG 84 13.847 13.101 6.690 646 HE ARG 84 HE ARG 84 16.534 13.766 7.584 647 HH11 ARG 84 HH11 ARG 84 13.691 14.787 5.822 648 HH12 ARG 84 HH12 ARG 84 14.062 16.475 5.941 649 HH21 ARG 84 HH21 ARG 84 17.029 15.997 7.742 650 HH22 ARG 84 HH22 ARG 84 15.964 17.164 7.023 651 H MET 85 H MET 85 12.474 8.241 7.643 652 HA MET 85 HA MET 85 12.134 8.076 10.477 653 HB2 MET 85 HB2 MET 85 10.536 6.844 8.236 654 HB3 MET 85 HB3 MET 85 10.057 6.856 9.922 655 HG2 MET 85 HG2 MET 85 9.993 9.289 9.873 656 HG3 MET 85 HG3 MET 85 10.472 9.260 8.181 657 HE1 MET 85 HE1 MET 85 6.437 7.657 9.763 658 HE2 MET 85 HE2 MET 85 7.682 8.381 10.782 659 HE3 MET 85 HE3 MET 85 7.961 6.811 10.029 660 H GLY 86 H GLY 86 12.934 5.756 7.867 661 HA2 GLY 86 HA2 GLY 86 13.834 3.616 8.106 662 HA3 GLY 86 HA3 GLY 86 13.913 3.868 9.843 663 H ILE 87 H ILE 87 10.935 4.562 8.463 664 HA ILE 87 HA ILE 87 9.734 2.013 8.514 665 HB ILE 87 HB ILE 87 10.050 2.874 11.021 666 HG12 ILE 87 HG12 ILE 87 7.333 1.829 10.252 667 HG13 ILE 87 HG13 ILE 87 8.763 0.825 10.081 668 HG21 ILE 87 HG21 ILE 87 7.528 4.195 10.075 669 HG22 ILE 87 HG22 ILE 87 8.989 5.006 10.648 670 HG23 ILE 87 HG23 ILE 87 8.015 4.047 11.767 671 HD11 ILE 87 HD11 ILE 87 7.721 2.038 12.622 672 HD12 ILE 87 HD12 ILE 87 9.197 1.084 12.479 673 HD13 ILE 87 HD13 ILE 87 7.633 0.342 12.146 674 H VAL 88 H VAL 88 7.530 2.147 7.912 675 HA VAL 88 HA VAL 88 6.655 4.755 6.868 676 HB VAL 88 HB VAL 88 5.673 3.433 4.936 677 HG11 VAL 88 HG11 VAL 88 8.612 3.752 5.417 678 HG12 VAL 88 HG12 VAL 88 7.524 4.750 4.441 679 HG13 VAL 88 HG13 VAL 88 7.994 3.151 3.873 680 HG21 VAL 88 HG21 VAL 88 7.577 1.333 6.000 681 HG22 VAL 88 HG22 VAL 88 6.744 1.270 4.439 682 HG23 VAL 88 HG23 VAL 88 5.815 1.206 5.938 683 H THR 89 H THR 89 4.434 5.161 7.032 684 HA THR 89 HA THR 89 2.944 3.086 8.485 685 HB THR 89 HB THR 89 2.135 5.978 8.441 686 HG1 THR 89 HG1 THR 89 4.410 5.181 9.379 687 HG21 THR 89 HG21 THR 89 1.082 5.316 10.582 688 HG22 THR 89 HG22 THR 89 1.674 3.664 10.342 689 HG23 THR 89 HG23 THR 89 0.493 4.358 9.219 690 H SER 90 H SER 90 1.147 2.305 7.697 691 HA SER 90 HA SER 90 0.443 2.815 4.975 692 HB2 SER 90 HB2 SER 90 -0.674 0.982 7.113 693 HB3 SER 90 HB3 SER 90 -1.264 1.010 5.441 694 HG SER 90 HG SER 90 1.379 0.418 6.319 695 H LEU 91 H LEU 91 -1.906 3.121 4.342 696 HA LEU 91 HA LEU 91 -2.899 5.543 5.168 697 HB2 LEU 91 HB2 LEU 91 -3.522 3.926 3.193 698 HB3 LEU 91 HB3 LEU 91 -4.812 3.419 4.263 699 HG LEU 91 HG LEU 91 -5.891 5.443 4.171 700 HD11 LEU 91 HD11 LEU 91 -4.278 6.985 4.806 701 HD12 LEU 91 HD12 LEU 91 -4.743 7.472 3.171 702 HD13 LEU 91 HD13 LEU 91 -3.241 6.583 3.439 703 HD21 LEU 91 HD21 LEU 91 -4.513 5.159 1.524 704 HD22 LEU 91 HD22 LEU 91 -5.960 6.118 1.826 705 HD23 LEU 91 HD23 LEU 91 -6.005 4.365 2.028 706 H GLU 92 H GLU 92 -3.593 2.344 6.405 707 HA GLU 92 HA GLU 92 -5.750 3.135 8.127 708 HB2 GLU 92 HB2 GLU 92 -5.613 0.829 8.978 709 HB3 GLU 92 HB3 GLU 92 -5.651 0.874 7.209 710 HG2 GLU 92 HG2 GLU 92 -3.879 -0.473 7.253 711 HG3 GLU 92 HG3 GLU 92 -2.951 0.909 7.828 712 H GLY 93 H GLY 93 -2.349 3.007 8.308 713 HA2 GLY 93 HA2 GLY 93 -1.273 4.250 10.115 714 HA3 GLY 93 HA3 GLY 93 -2.446 3.534 11.206 715 H SER 94 H SER 94 -1.123 1.467 8.767 716 HA SER 94 HA SER 94 0.157 -0.076 10.839 717 HB2 SER 94 HB2 SER 94 -1.304 -1.078 8.999 718 HB3 SER 94 HB3 SER 94 0.046 -0.762 7.908 719 HG SER 94 HG SER 94 -0.293 -2.786 9.655 720 H THR 95 H THR 95 2.226 0.244 11.356 721 HA THR 95 HA THR 95 4.003 1.566 9.511 722 HB THR 95 HB THR 95 5.552 0.824 11.656 723 HG1 THR 95 HG1 THR 95 4.029 1.494 13.425 724 HG21 THR 95 HG21 THR 95 3.834 3.291 11.381 725 HG22 THR 95 HG22 THR 95 5.395 3.036 10.601 726 HG23 THR 95 HG23 THR 95 5.295 3.143 12.360 727 H ILE 96 H ILE 96 5.694 0.779 8.490 728 HA ILE 96 HA ILE 96 6.466 -2.027 8.826 729 HB ILE 96 HB ILE 96 5.654 -0.647 6.312 730 HG12 ILE 96 HG12 ILE 96 5.037 -3.184 5.865 731 HG13 ILE 96 HG13 ILE 96 5.176 -3.285 7.617 732 HG21 ILE 96 HG21 ILE 96 7.868 -1.113 5.701 733 HG22 ILE 96 HG22 ILE 96 6.894 -2.416 5.013 734 HG23 ILE 96 HG23 ILE 96 7.832 -2.691 6.482 735 HD11 ILE 96 HD11 ILE 96 2.876 -2.900 6.909 736 HD12 ILE 96 HD12 ILE 96 3.366 -1.396 6.131 737 HD13 ILE 96 HD13 ILE 96 3.488 -1.564 7.882 738 HA PRO 97 HA PRO 97 10.291 0.104 9.433 739 HB2 PRO 97 HB2 PRO 97 11.721 -2.417 9.109 740 HB3 PRO 97 HB3 PRO 97 11.489 -1.448 10.563 741 HG2 PRO 97 HG2 PRO 97 10.305 -3.864 10.179 742 HG3 PRO 97 HG3 PRO 97 9.600 -2.578 11.176 743 HD2 PRO 97 HD2 PRO 97 8.903 -3.430 8.399 744 HD3 PRO 97 HD3 PRO 97 7.847 -2.880 9.716 745 H ILE 98 H ILE 98 11.524 1.170 8.194 746 HA ILE 98 HA ILE 98 12.204 0.215 5.522 747 HB ILE 98 HB ILE 98 12.292 2.950 6.787 748 HG12 ILE 98 HG12 ILE 98 10.069 2.092 6.208 749 HG13 ILE 98 HG13 ILE 98 10.522 3.470 5.216 750 HG21 ILE 98 HG21 ILE 98 14.151 2.775 5.264 751 HG22 ILE 98 HG22 ILE 98 12.899 3.794 4.556 752 HG23 ILE 98 HG23 ILE 98 13.097 2.131 4.005 753 HD11 ILE 98 HD11 ILE 98 9.381 1.507 4.084 754 HD12 ILE 98 HD12 ILE 98 10.924 0.662 4.269 755 HD13 ILE 98 HD13 ILE 98 10.842 2.150 3.325 756 H HIS 99 H HIS 99 14.189 -0.155 4.915 757 HA HIS 99 HA HIS 99 16.414 0.902 6.446 758 HB2 HIS 99 HB2 HIS 99 17.623 -1.361 6.146 759 HB3 HIS 99 HB3 HIS 99 16.493 -1.179 7.472 760 HD1 HIS 99 HD1 HIS 99 17.472 -3.540 5.076 761 HD2 HIS 99 HD2 HIS 99 13.778 -2.307 6.535 762 HE1 HIS 99 HE1 HIS 99 15.911 -5.471 4.683 763 HE2 HIS 99 HE2 HIS 99 13.662 -4.683 5.507 764 H GLY 100 H GLY 100 18.527 -0.015 4.994 765 HA2 GLY 100 HA2 GLY 100 18.301 0.076 2.259 766 HA3 GLY 100 HA3 GLY 100 18.232 1.739 2.780 767 H ASP 101 H ASP 101 20.151 -1.071 2.432 768 HA ASP 101 HA ASP 101 22.550 -0.004 3.584 769 HB2 ASP 101 HB2 ASP 101 22.377 -2.385 3.490 770 HB3 ASP 101 HB3 ASP 101 21.986 -2.358 1.774 771 H ASN 102 H ASN 102 21.260 -0.421 0.353 772 HA ASN 102 HA ASN 102 22.802 1.875 -0.541 773 HB2 ASN 102 HB2 ASN 102 23.049 -0.879 -1.621 774 HB3 ASN 102 HB3 ASN 102 23.012 0.434 -2.795 775 HD21 ASN 102 HD21 ASN 102 24.791 -1.062 -0.206 776 HD22 ASN 102 HD22 ASN 102 26.258 -0.172 -0.444 777 HA PRO 103 HA PRO 103 18.712 1.560 -2.923 778 HB2 PRO 103 HB2 PRO 103 17.313 -0.676 -3.108 779 HB3 PRO 103 HB3 PRO 103 18.789 -0.500 -4.066 780 HG2 PRO 103 HG2 PRO 103 18.382 -1.950 -1.481 781 HG3 PRO 103 HG3 PRO 103 19.219 -2.497 -2.947 782 HD2 PRO 103 HD2 PRO 103 20.479 -1.408 -0.778 783 HD3 PRO 103 HD3 PRO 103 21.139 -1.376 -2.418 784 H LEU 104 H LEU 104 16.338 1.540 -2.241 785 HA LEU 104 HA LEU 104 16.080 1.755 0.599 786 HB2 LEU 104 HB2 LEU 104 14.723 3.094 -1.025 787 HB3 LEU 104 HB3 LEU 104 13.883 1.619 -1.442 788 HG LEU 104 HG LEU 104 13.205 1.438 0.991 789 HD11 LEU 104 HD11 LEU 104 14.812 2.948 1.999 790 HD12 LEU 104 HD12 LEU 104 13.176 3.557 2.264 791 HD13 LEU 104 HD13 LEU 104 14.197 4.283 1.022 792 HD21 LEU 104 HD21 LEU 104 11.398 3.064 0.752 793 HD22 LEU 104 HD22 LEU 104 11.656 2.123 -0.713 794 HD23 LEU 104 HD23 LEU 104 12.240 3.786 -0.619 795 H GLU 105 H GLU 105 14.646 0.458 1.899 796 HA GLU 105 HA GLU 105 14.157 -2.240 0.888 797 HB2 GLU 105 HB2 GLU 105 15.627 -1.811 3.492 798 HB3 GLU 105 HB3 GLU 105 15.296 -3.338 2.689 799 HG2 GLU 105 HG2 GLU 105 16.800 -2.621 0.854 800 HG3 GLU 105 HG3 GLU 105 17.189 -1.193 1.780 801 H VAL 106 H VAL 106 12.085 -2.392 1.207 802 HA VAL 106 HA VAL 106 10.906 -1.222 3.620 803 HB VAL 106 HB VAL 106 9.708 -0.186 1.994 804 HG11 VAL 106 HG11 VAL 106 11.062 -1.025 0.167 805 HG12 VAL 106 HG12 VAL 106 9.354 -1.051 -0.276 806 HG13 VAL 106 HG13 VAL 106 10.169 -2.546 0.180 807 HG21 VAL 106 HG21 VAL 106 8.102 -1.755 3.131 808 HG22 VAL 106 HG22 VAL 106 8.260 -2.808 1.720 809 HG23 VAL 106 HG23 VAL 106 7.603 -1.184 1.538 810 H LYS 107 H LYS 107 10.088 -2.516 5.131 811 HA LYS 107 HA LYS 107 9.818 -4.404 6.326 812 HB2 LYS 107 HB2 LYS 107 8.099 -6.032 5.349 813 HB3 LYS 107 HB3 LYS 107 7.590 -4.381 5.637 814 HG2 LYS 107 HG2 LYS 107 7.911 -3.906 3.235 815 HG3 LYS 107 HG3 LYS 107 8.309 -5.600 2.977 816 HD2 LYS 107 HD2 LYS 107 5.689 -4.453 3.923 817 HD3 LYS 107 HD3 LYS 107 6.014 -5.267 2.392 818 HE2 LYS 107 HE2 LYS 107 6.729 -7.253 3.915 819 HE3 LYS 107 HE3 LYS 107 5.780 -6.407 5.140 820 HZ1 LYS 107 HZ1 LYS 107 4.488 -8.071 3.927 821 HZ2 LYS 107 HZ2 LYS 107 4.767 -7.241 2.472 822 HZ3 LYS 107 HZ3 LYS 107 3.864 -6.512 3.714 823 H ASN 108 H ASN 108 9.217 -6.742 3.997 824 HA ASN 108 HA ASN 108 11.888 -7.860 4.408 825 HB2 ASN 108 HB2 ASN 108 10.772 -10.017 3.660 826 HB3 ASN 108 HB3 ASN 108 10.245 -9.364 5.202 827 HD21 ASN 108 HD21 ASN 108 9.183 -8.063 2.106 828 HD22 ASN 108 HD22 ASN 108 7.548 -8.614 2.235 829 H ALA 109 H ALA 109 11.098 -5.833 2.375 830 HA ALA 109 HA ALA 109 11.773 -7.358 -0.044 831 HB1 ALA 109 HB1 ALA 109 10.365 -5.889 -1.327 832 HB2 ALA 109 HB2 ALA 109 9.974 -4.952 0.114 833 HB3 ALA 109 HB3 ALA 109 9.430 -6.631 -0.028 834 H THR 110 H THR 110 12.662 -5.926 -1.791 835 HA THR 110 HA THR 110 14.387 -3.847 -0.720 836 HB THR 110 HB THR 110 15.262 -5.852 -2.804 837 HG1 THR 110 HG1 THR 110 14.895 -6.814 -0.670 838 HG21 THR 110 HG21 THR 110 16.828 -3.913 -1.090 839 HG22 THR 110 HG22 THR 110 16.430 -3.685 -2.793 840 HG23 THR 110 HG23 THR 110 17.498 -5.001 -2.305 841 H VAL 111 H VAL 111 14.583 -2.101 -2.040 842 HA VAL 111 HA VAL 111 12.625 -1.924 -4.143 843 HB VAL 111 HB VAL 111 14.331 0.018 -2.678 844 HG11 VAL 111 HG11 VAL 111 14.688 0.552 -5.073 845 HG12 VAL 111 HG12 VAL 111 13.828 1.813 -4.193 846 HG13 VAL 111 HG13 VAL 111 12.941 0.721 -5.256 847 HG21 VAL 111 HG21 VAL 111 12.151 1.167 -2.474 848 HG22 VAL 111 HG22 VAL 111 12.131 -0.479 -1.843 849 HG23 VAL 111 HG23 VAL 111 11.418 -0.130 -3.417 850 H LEU 112 H LEU 112 12.921 -2.088 -6.207 851 HA LEU 112 HA LEU 112 15.583 -2.356 -7.339 852 HB2 LEU 112 HB2 LEU 112 12.817 -2.719 -8.479 853 HB3 LEU 112 HB3 LEU 112 14.266 -2.817 -9.453 854 HG LEU 112 HG LEU 112 14.992 -4.687 -7.841 855 HD11 LEU 112 HD11 LEU 112 13.630 -5.250 -6.185 856 HD12 LEU 112 HD12 LEU 112 12.272 -5.440 -7.311 857 HD13 LEU 112 HD13 LEU 112 12.633 -3.854 -6.614 858 HD21 LEU 112 HD21 LEU 112 13.689 -6.354 -9.084 859 HD22 LEU 112 HD22 LEU 112 14.318 -5.098 -10.150 860 HD23 LEU 112 HD23 LEU 112 12.622 -5.078 -9.669 861 H ALA 113 H ALA 113 12.764 -0.297 -7.390 862 HA ALA 113 HA ALA 113 14.269 1.940 -8.409 863 HB1 ALA 113 HB1 ALA 113 13.719 0.814 -10.501 864 HB2 ALA 113 HB2 ALA 113 12.819 2.323 -10.357 865 HB3 ALA 113 HB3 ALA 113 12.015 0.785 -10.051 866 H ALA 114 H ALA 114 13.611 3.456 -6.973 867 HA ALA 114 HA ALA 114 10.749 3.798 -6.567 868 HB1 ALA 114 HB1 ALA 114 12.831 3.404 -4.451 869 HB2 ALA 114 HB2 ALA 114 11.339 2.485 -4.688 870 HB3 ALA 114 HB3 ALA 114 11.273 4.154 -4.119 871 H ASP 115 H ASP 115 10.746 5.782 -4.805 872 HA ASP 115 HA ASP 115 10.973 8.032 -4.564 873 HB2 ASP 115 HB2 ASP 115 13.457 7.397 -4.554 874 HB3 ASP 115 HB3 ASP 115 13.478 7.840 -6.256 875 H ILE 116 H ILE 116 9.714 6.564 -6.677 876 HA ILE 116 HA ILE 116 9.854 8.137 -9.095 877 HB ILE 116 HB ILE 116 7.955 5.911 -8.384 878 HG12 ILE 116 HG12 ILE 116 10.732 5.692 -9.538 879 HG13 ILE 116 HG13 ILE 116 10.170 5.048 -8.013 880 HG21 ILE 116 HG21 ILE 116 7.607 5.643 -10.688 881 HG22 ILE 116 HG22 ILE 116 8.976 6.684 -11.092 882 HG23 ILE 116 HG23 ILE 116 7.519 7.380 -10.373 883 HD11 ILE 116 HD11 ILE 116 10.384 3.299 -9.675 884 HD12 ILE 116 HD12 ILE 116 9.259 4.151 -10.734 885 HD13 ILE 116 HD13 ILE 116 8.700 3.504 -9.190 886 H GLU 117 H GLU 117 8.742 10.114 -8.829 887 HA GLU 117 HA GLU 117 6.467 10.354 -7.351 888 HB2 GLU 117 HB2 GLU 117 6.229 12.411 -8.999 889 HB3 GLU 117 HB3 GLU 117 7.332 12.315 -7.630 890 HG2 GLU 117 HG2 GLU 117 9.131 11.857 -8.844 891 HG3 GLU 117 HG3 GLU 117 8.173 11.312 -10.215 892 H ALA 118 H ALA 118 4.672 9.451 -7.558 893 HA ALA 118 HA ALA 118 3.846 8.147 -9.979 894 HB1 ALA 118 HB1 ALA 118 1.812 8.128 -7.972 895 HB2 ALA 118 HB2 ALA 118 3.379 7.824 -7.211 896 HB3 ALA 118 HB3 ALA 118 2.821 6.796 -8.543 897 H GLU 119 H GLU 119 1.230 8.231 -10.084 898 HA GLU 119 HA GLU 119 0.448 10.501 -11.403 899 HB2 GLU 119 HB2 GLU 119 -1.920 9.748 -10.745 900 HB3 GLU 119 HB3 GLU 119 -0.926 8.614 -11.646 901 HG2 GLU 119 HG2 GLU 119 -0.427 7.381 -9.639 902 HG3 GLU 119 HG3 GLU 119 -1.272 8.570 -8.651 903 H ASN 120 H ASN 120 -0.085 9.736 -7.973 904 HA ASN 120 HA ASN 120 -0.610 12.593 -7.525 905 HB2 ASN 120 HB2 ASN 120 -1.821 10.195 -6.165 906 HB3 ASN 120 HB3 ASN 120 -1.935 11.820 -5.505 907 HD21 ASN 120 HD21 ASN 120 -3.035 9.636 -7.955 908 HD22 ASN 120 HD22 ASN 120 -4.283 10.654 -8.586 909 H GLY 121 H GLY 121 1.450 9.969 -6.750 910 HA2 GLY 121 HA2 GLY 121 2.636 11.526 -4.578 911 HA3 GLY 121 HA3 GLY 121 2.063 9.928 -4.171 912 H ILE 122 H ILE 122 3.403 8.341 -4.369 913 HA ILE 122 HA ILE 122 5.733 8.497 -6.093 914 HB ILE 122 HB ILE 122 5.855 8.374 -3.095 915 HG12 ILE 122 HG12 ILE 122 5.860 10.553 -4.412 916 HG13 ILE 122 HG13 ILE 122 7.169 10.317 -3.249 917 HG21 ILE 122 HG21 ILE 122 8.003 7.685 -5.073 918 HG22 ILE 122 HG22 ILE 122 7.301 6.630 -3.843 919 HG23 ILE 122 HG23 ILE 122 8.291 8.017 -3.367 920 HD11 ILE 122 HD11 ILE 122 8.769 10.160 -4.871 921 HD12 ILE 122 HD12 ILE 122 7.606 11.176 -5.730 922 HD13 ILE 122 HD13 ILE 122 7.656 9.438 -6.038 923 H ILE 123 H ILE 123 6.589 6.592 -6.673 924 HA ILE 123 HA ILE 123 5.254 4.139 -5.732 925 HB ILE 123 HB ILE 123 6.466 4.785 -8.436 926 HG12 ILE 123 HG12 ILE 123 3.646 4.092 -7.614 927 HG13 ILE 123 HG13 ILE 123 4.231 5.725 -7.909 928 HG21 ILE 123 HG21 ILE 123 5.731 2.555 -9.140 929 HG22 ILE 123 HG22 ILE 123 5.249 2.190 -7.483 930 HG23 ILE 123 HG23 ILE 123 6.948 2.460 -7.867 931 HD11 ILE 123 HD11 ILE 123 4.013 3.499 -9.916 932 HD12 ILE 123 HD12 ILE 123 4.736 5.075 -10.238 933 HD13 ILE 123 HD13 ILE 123 3.026 4.959 -9.824 934 H HIS 124 H HIS 124 6.492 2.332 -5.276 935 HA HIS 124 HA HIS 124 9.411 2.552 -5.571 936 HB2 HIS 124 HB2 HIS 124 8.227 1.354 -3.076 937 HB3 HIS 124 HB3 HIS 124 9.898 1.755 -3.399 938 HD1 HIS 124 HD1 HIS 124 6.579 3.520 -2.777 939 HD2 HIS 124 HD2 HIS 124 10.671 4.148 -2.357 940 HE1 HIS 124 HE1 HIS 124 6.818 5.695 -1.536 941 HE2 HIS 124 HE2 HIS 124 9.290 6.086 -1.345 942 H VAL 125 H VAL 125 9.932 0.918 -6.863 943 HA VAL 125 HA VAL 125 8.306 -1.465 -7.025 944 HB VAL 125 HB VAL 125 10.937 -0.828 -8.378 945 HG11 VAL 125 HG11 VAL 125 10.552 -3.189 -8.415 946 HG12 VAL 125 HG12 VAL 125 10.192 -2.548 -10.018 947 HG13 VAL 125 HG13 VAL 125 8.877 -2.960 -8.917 948 HG21 VAL 125 HG21 VAL 125 8.111 -0.463 -9.368 949 HG22 VAL 125 HG22 VAL 125 9.570 -0.237 -10.332 950 HG23 VAL 125 HG23 VAL 125 9.249 0.820 -8.954 951 H ILE 126 H ILE 126 8.676 -3.366 -6.000 952 HA ILE 126 HA ILE 126 11.259 -3.718 -4.614 953 HB ILE 126 HB ILE 126 10.203 -4.612 -2.673 954 HG12 ILE 126 HG12 ILE 126 8.094 -5.248 -4.298 955 HG13 ILE 126 HG13 ILE 126 8.086 -5.368 -2.545 956 HG21 ILE 126 HG21 ILE 126 8.878 -2.013 -3.421 957 HG22 ILE 126 HG22 ILE 126 10.490 -2.201 -2.725 958 HG23 ILE 126 HG23 ILE 126 9.064 -2.645 -1.782 959 HD11 ILE 126 HD11 ILE 126 7.100 -3.015 -4.137 960 HD12 ILE 126 HD12 ILE 126 7.060 -3.181 -2.381 961 HD13 ILE 126 HD13 ILE 126 6.095 -4.258 -3.390 962 H ASP 127 H ASP 127 11.559 -5.955 -3.874 963 HA ASP 127 HA ASP 127 10.874 -7.723 -6.115 964 HB2 ASP 127 HB2 ASP 127 13.236 -7.025 -5.907 965 HB3 ASP 127 HB3 ASP 127 13.306 -7.752 -4.315 966 H THR 128 H THR 128 9.522 -7.242 -3.494 967 HA THR 128 HA THR 128 8.707 -9.908 -2.961 968 HB THR 128 HB THR 128 10.500 -8.561 -0.918 969 HG1 THR 128 HG1 THR 128 11.068 -10.340 -2.655 970 HG21 THR 128 HG21 THR 128 9.820 -10.412 0.624 971 HG22 THR 128 HG22 THR 128 8.493 -10.766 -0.486 972 HG23 THR 128 HG23 THR 128 8.579 -9.196 0.321 973 H VAL 129 H VAL 129 6.613 -9.757 -2.159 974 HA VAL 129 HA VAL 129 5.624 -7.126 -1.564 975 HB VAL 129 HB VAL 129 4.236 -9.810 -1.679 976 HG11 VAL 129 HG11 VAL 129 3.184 -8.345 -0.045 977 HG12 VAL 129 HG12 VAL 129 2.166 -8.557 -1.467 978 HG13 VAL 129 HG13 VAL 129 3.082 -7.066 -1.251 979 HG21 VAL 129 HG21 VAL 129 3.235 -8.933 -3.709 980 HG22 VAL 129 HG22 VAL 129 4.994 -8.848 -3.833 981 HG23 VAL 129 HG23 VAL 129 4.062 -7.394 -3.476
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