NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
598479 | 2my6 | 25447 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER -1 H1 SER -1 11.992 -9.788 -2.459 2 H2 SER -1 H2 SER -1 12.163 -11.333 -3.145 3 H3 SER -1 H3 SER -1 12.184 -11.144 -1.457 4 HA SER -1 HA SER -1 9.876 -10.765 -3.281 5 HB2 SER -1 HB3 SER -1 10.175 -13.076 -2.751 6 HB3 SER -1 HB2 SER -1 10.572 -12.713 -1.075 7 HG SER -1 HG SER -1 8.140 -11.743 -1.937 8 H GLU 0 H GLU 0 11.449 -9.201 -0.889 9 HA GLU 0 HA GLU 0 9.563 -8.798 1.180 10 HB2 GLU 0 HB3 GLU 0 11.916 -7.938 1.178 11 HB3 GLU 0 HB2 GLU 0 11.425 -6.709 0.012 12 HG2 GLU 0 HG3 GLU 0 9.714 -5.902 1.637 13 HG3 GLU 0 HG2 GLU 0 10.319 -7.070 2.812 14 H MET 1 H MET 1 9.740 -7.419 -2.062 15 HA MET 1 HA MET 1 7.865 -5.309 -1.738 16 HB2 MET 1 HB3 MET 1 8.481 -7.052 -4.136 17 HB3 MET 1 HB2 MET 1 7.453 -5.620 -4.205 18 HG2 MET 1 HG3 MET 1 9.343 -4.267 -3.297 19 HG3 MET 1 HG2 MET 1 10.365 -5.704 -3.363 20 HE1 MET 1 HE1 MET 1 11.384 -3.479 -4.336 21 HE2 MET 1 HE2 MET 1 11.479 -3.182 -6.078 22 HE3 MET 1 HE3 MET 1 12.241 -4.609 -5.381 23 H GLN 2 H GLN 2 7.380 -8.773 -2.302 24 HA GLN 2 HA GLN 2 5.411 -10.051 -2.276 25 HB2 GLN 2 HB3 GLN 2 4.455 -7.742 -0.552 26 HB3 GLN 2 HB2 GLN 2 3.685 -9.325 -0.667 27 HG2 GLN 2 HG3 GLN 2 6.530 -8.843 0.268 28 HG3 GLN 2 HG2 GLN 2 5.155 -9.153 1.329 29 HE21 GLN 2 HE22 GLN 2 7.732 -10.771 0.347 30 HE22 GLN 2 HE21 GLN 2 7.085 -12.316 0.068 31 H HIS 3 H HIS 3 5.689 -8.634 -4.586 32 HA HIS 3 HA HIS 3 4.382 -8.059 -6.452 33 HB2 HIS 3 HB3 HIS 3 1.908 -7.969 -4.734 34 HB3 HIS 3 HB2 HIS 3 2.065 -8.398 -6.433 35 HD1 HIS 3 HD1 HIS 3 3.360 -10.728 -6.924 36 HD2 HIS 3 HD2 HIS 3 2.051 -10.154 -3.005 37 HE1 HIS 3 HE1 HIS 3 3.400 -13.005 -5.813 38 HE2 HIS 3 HE2 HIS 3 2.606 -12.668 -3.427 39 H ALA 4 H ALA 4 5.738 -6.038 -5.327 40 HA ALA 4 HA ALA 4 4.226 -3.870 -4.269 41 HB1 ALA 4 HB1 ALA 4 6.531 -3.551 -4.084 42 HB2 ALA 4 HB2 ALA 4 6.133 -2.485 -5.430 43 HB3 ALA 4 HB3 ALA 4 6.836 -4.071 -5.742 44 H SER 5 H SER 5 4.963 -4.804 -7.614 45 HA SER 5 HA SER 5 3.848 -2.515 -8.892 46 HB2 SER 5 HB3 SER 5 3.903 -5.361 -9.927 47 HB3 SER 5 HB2 SER 5 3.747 -3.900 -10.897 48 HG SER 5 HG SER 5 5.814 -3.394 -10.487 49 H VAL 6 H VAL 6 2.353 -5.514 -7.744 50 HA VAL 6 HA VAL 6 -0.200 -5.124 -8.954 51 HB VAL 6 HB VAL 6 0.600 -6.542 -6.411 52 HG11 VAL 6 HG11 VAL 6 -1.686 -7.716 -6.910 53 HG12 VAL 6 HG12 VAL 6 -2.054 -6.230 -7.786 54 HG13 VAL 6 HG13 VAL 6 -1.685 -6.169 -6.062 55 HG21 VAL 6 HG21 VAL 6 1.529 -7.498 -8.469 56 HG22 VAL 6 HG22 VAL 6 -0.071 -7.500 -9.210 57 HG23 VAL 6 HG23 VAL 6 0.267 -8.556 -7.839 58 H ILE 7 H ILE 7 1.051 -4.135 -5.776 59 HA ILE 7 HA ILE 7 -1.340 -2.925 -4.813 60 HB ILE 7 HB ILE 7 1.537 -2.108 -4.293 61 HG12 ILE 7 HG13 ILE 7 -0.235 -3.946 -2.662 62 HG13 ILE 7 HG12 ILE 7 0.900 -4.544 -3.872 63 HG21 ILE 7 HG21 ILE 7 0.525 -1.327 -2.104 64 HG22 ILE 7 HG22 ILE 7 -1.062 -1.580 -2.830 65 HG23 ILE 7 HG23 ILE 7 0.041 -0.387 -3.516 66 HD11 ILE 7 HD11 ILE 7 2.686 -3.174 -2.633 67 HD12 ILE 7 HD12 ILE 7 2.098 -4.626 -1.824 68 HD13 ILE 7 HD13 ILE 7 1.512 -3.039 -1.324 69 H ALA 8 H ALA 8 1.394 -1.551 -6.637 70 HA ALA 8 HA ALA 8 0.345 1.101 -6.832 71 HB1 ALA 8 HB1 ALA 8 1.957 1.412 -8.625 72 HB2 ALA 8 HB2 ALA 8 2.105 -0.332 -8.846 73 HB3 ALA 8 HB3 ALA 8 2.706 0.425 -7.370 74 H GLN 9 H GLN 9 -0.158 -1.822 -8.752 75 HA GLN 9 HA GLN 9 -1.484 -0.645 -10.966 76 HB2 GLN 9 HB3 GLN 9 -0.771 -3.056 -10.774 77 HB3 GLN 9 HB2 GLN 9 -2.150 -3.318 -9.705 78 HG2 GLN 9 HG3 GLN 9 -3.662 -2.493 -11.508 79 HG3 GLN 9 HG2 GLN 9 -2.266 -2.355 -12.578 80 HE21 GLN 9 HE22 GLN 9 -1.452 -4.945 -10.752 81 HE22 GLN 9 HE21 GLN 9 -2.140 -6.197 -11.669 82 H PHE 10 H PHE 10 -2.747 -1.685 -7.801 83 HA PHE 10 HA PHE 10 -5.493 -1.100 -8.452 84 HB2 PHE 10 HB3 PHE 10 -4.019 -1.426 -5.842 85 HB3 PHE 10 HB2 PHE 10 -5.729 -0.998 -5.892 86 HD1 PHE 10 HD2 PHE 10 -7.330 -2.515 -7.169 87 HD2 PHE 10 HD1 PHE 10 -3.321 -3.671 -6.152 88 HE1 PHE 10 HE2 PHE 10 -7.932 -4.897 -7.509 89 HE2 PHE 10 HE1 PHE 10 -3.924 -6.053 -6.489 90 HZ PHE 10 HZ PHE 10 -6.229 -6.664 -7.165 91 H VAL 11 H VAL 11 -3.063 0.781 -6.603 92 HA VAL 11 HA VAL 11 -4.819 3.025 -6.245 93 HB VAL 11 HB VAL 11 -3.013 4.106 -5.275 94 HG11 VAL 11 HG11 VAL 11 -3.313 1.498 -4.649 95 HG12 VAL 11 HG12 VAL 11 -2.144 2.547 -3.846 96 HG13 VAL 11 HG13 VAL 11 -1.624 1.486 -5.154 97 HG21 VAL 11 HG21 VAL 11 -1.596 4.409 -7.182 98 HG22 VAL 11 HG22 VAL 11 -1.310 2.677 -7.324 99 HG23 VAL 11 HG23 VAL 11 -0.617 3.573 -5.978 100 H VAL 12 H VAL 12 -2.446 2.186 -8.744 101 HA VAL 12 HA VAL 12 -2.576 4.665 -10.170 102 HB VAL 12 HB VAL 12 -1.990 1.857 -11.126 103 HG11 VAL 12 HG11 VAL 12 -2.663 3.224 -13.026 104 HG12 VAL 12 HG12 VAL 12 -0.913 3.017 -13.063 105 HG13 VAL 12 HG13 VAL 12 -1.607 4.534 -12.492 106 HG21 VAL 12 HG21 VAL 12 -0.553 3.475 -9.422 107 HG22 VAL 12 HG22 VAL 12 0.145 3.876 -10.992 108 HG23 VAL 12 HG23 VAL 12 0.144 2.206 -10.429 109 H GLU 13 H GLU 13 -4.395 1.611 -10.554 110 HA GLU 13 HA GLU 13 -6.052 2.634 -12.688 111 HB2 GLU 13 HB3 GLU 13 -6.344 0.274 -10.834 112 HB3 GLU 13 HB2 GLU 13 -7.452 0.613 -12.155 113 HG2 GLU 13 HG3 GLU 13 -5.559 0.555 -13.744 114 HG3 GLU 13 HG2 GLU 13 -4.481 0.143 -12.417 115 H GLU 14 H GLU 14 -6.145 2.817 -9.239 116 HA GLU 14 HA GLU 14 -8.940 3.270 -8.877 117 HB2 GLU 14 HB3 GLU 14 -7.310 2.798 -7.037 118 HB3 GLU 14 HB2 GLU 14 -6.665 4.427 -7.245 119 HG2 GLU 14 HG3 GLU 14 -8.942 5.347 -6.806 120 HG3 GLU 14 HG2 GLU 14 -9.513 3.707 -6.492 121 H PHE 15 H PHE 15 -6.336 5.426 -9.902 122 HA PHE 15 HA PHE 15 -8.421 7.502 -10.378 123 HB2 PHE 15 HB3 PHE 15 -7.223 8.008 -8.242 124 HB3 PHE 15 HB2 PHE 15 -5.714 8.092 -9.152 125 HD1 PHE 15 HD1 PHE 15 -9.134 9.568 -8.914 126 HD2 PHE 15 HD2 PHE 15 -5.105 10.057 -10.315 127 HE1 PHE 15 HE1 PHE 15 -9.634 11.919 -9.525 128 HE2 PHE 15 HE2 PHE 15 -5.604 12.408 -10.930 129 HZ PHE 15 HZ PHE 15 -7.868 13.338 -10.534 130 H LEU 16 H LEU 16 -5.088 6.421 -11.076 131 HA LEU 16 HA LEU 16 -5.336 7.808 -13.718 132 HB2 LEU 16 HB3 LEU 16 -3.100 7.584 -11.770 133 HB3 LEU 16 HB2 LEU 16 -2.685 7.527 -13.482 134 HG LEU 16 HG LEU 16 -4.567 9.639 -12.485 135 HD11 LEU 16 HD11 LEU 16 -2.597 9.733 -10.991 136 HD12 LEU 16 HD12 LEU 16 -2.644 11.125 -12.073 137 HD13 LEU 16 HD13 LEU 16 -1.538 9.792 -12.401 138 HD21 LEU 16 HD21 LEU 16 -4.151 10.614 -14.513 139 HD22 LEU 16 HD22 LEU 16 -3.687 8.974 -14.967 140 HD23 LEU 16 HD23 LEU 16 -2.451 10.144 -14.502 141 HA PRO 17 HA PRO 17 -4.871 3.266 -14.517 142 HB2 PRO 17 HB2 PRO 17 -6.836 3.104 -16.417 143 HB3 PRO 17 HB3 PRO 17 -7.133 2.907 -14.681 144 HG2 PRO 17 HG3 PRO 17 -7.694 5.209 -16.445 145 HG3 PRO 17 HG2 PRO 17 -8.552 4.650 -15.002 146 HD2 PRO 17 HD3 PRO 17 -6.791 6.812 -15.091 147 HD3 PRO 17 HD2 PRO 17 -7.298 5.963 -13.617 148 H ASP 18 H ASP 18 -4.718 6.119 -16.438 149 HA ASP 18 HA ASP 18 -3.734 4.707 -18.826 150 HB2 ASP 18 HB3 ASP 18 -4.109 7.632 -18.179 151 HB3 ASP 18 HB2 ASP 18 -3.489 7.043 -19.715 152 H VAL 19 H VAL 19 -2.372 5.257 -15.955 153 HA VAL 19 HA VAL 19 0.262 6.100 -17.099 154 HB VAL 19 HB VAL 19 -0.640 6.126 -14.204 155 HG11 VAL 19 HG11 VAL 19 1.881 6.859 -15.659 156 HG12 VAL 19 HG12 VAL 19 1.686 6.035 -14.112 157 HG13 VAL 19 HG13 VAL 19 1.425 7.775 -14.223 158 HG21 VAL 19 HG21 VAL 19 -1.872 7.752 -15.632 159 HG22 VAL 19 HG22 VAL 19 -0.330 8.411 -16.178 160 HG23 VAL 19 HG23 VAL 19 -0.802 8.558 -14.485 161 H ALA 20 H ALA 20 1.942 4.660 -17.005 162 HA ALA 20 HA ALA 20 1.403 1.909 -16.318 163 HB1 ALA 20 HB1 ALA 20 3.210 3.141 -17.934 164 HB2 ALA 20 HB2 ALA 20 3.368 1.472 -17.385 165 HB3 ALA 20 HB3 ALA 20 4.224 2.764 -16.540 166 HA PRO 21 HA PRO 21 2.134 2.519 -11.866 167 HB2 PRO 21 HB2 PRO 21 2.658 -0.412 -11.982 168 HB3 PRO 21 HB3 PRO 21 1.577 0.498 -10.912 169 HG2 PRO 21 HG3 PRO 21 0.668 -0.975 -12.956 170 HG3 PRO 21 HG2 PRO 21 -0.127 0.516 -12.426 171 HD2 PRO 21 HD3 PRO 21 1.487 0.023 -14.870 172 HD3 PRO 21 HD2 PRO 21 0.204 1.219 -14.575 173 H ALA 22 H ALA 22 4.272 0.789 -14.068 174 HA ALA 22 HA ALA 22 6.519 0.539 -12.301 175 HB1 ALA 22 HB1 ALA 22 7.816 0.109 -14.289 176 HB2 ALA 22 HB2 ALA 22 6.618 0.904 -15.308 177 HB3 ALA 22 HB3 ALA 22 6.233 -0.631 -14.529 178 H ASP 23 H ASP 23 5.202 3.210 -14.099 179 HA ASP 23 HA ASP 23 7.639 4.823 -13.930 180 HB2 ASP 23 HB3 ASP 23 5.959 5.078 -15.774 181 HB3 ASP 23 HB2 ASP 23 4.813 5.702 -14.586 182 H VAL 24 H VAL 24 5.693 3.787 -11.568 183 HA VAL 24 HA VAL 24 5.527 6.416 -10.162 184 HB VAL 24 HB VAL 24 4.384 3.775 -9.235 185 HG11 VAL 24 HG11 VAL 24 3.104 6.382 -8.643 186 HG12 VAL 24 HG12 VAL 24 4.682 6.121 -7.899 187 HG13 VAL 24 HG13 VAL 24 3.366 4.989 -7.593 188 HG21 VAL 24 HG21 VAL 24 3.028 5.922 -10.906 189 HG22 VAL 24 HG22 VAL 24 2.257 4.473 -10.260 190 HG23 VAL 24 HG23 VAL 24 3.507 4.331 -11.497 191 H ASP 25 H ASP 25 6.887 6.812 -8.447 192 HA ASP 25 HA ASP 25 8.862 4.720 -7.782 193 HB2 ASP 25 HB3 ASP 25 8.595 7.616 -6.913 194 HB3 ASP 25 HB2 ASP 25 9.914 6.548 -6.429 195 H VAL 26 H VAL 26 8.458 3.354 -6.109 196 HA VAL 26 HA VAL 26 6.279 3.867 -4.244 197 HB VAL 26 HB VAL 26 6.886 1.708 -3.294 198 HG11 VAL 26 HG11 VAL 26 6.159 0.509 -5.095 199 HG12 VAL 26 HG12 VAL 26 7.437 1.124 -6.142 200 HG13 VAL 26 HG13 VAL 26 6.001 2.100 -5.837 201 HG21 VAL 26 HG21 VAL 26 9.392 2.081 -4.949 202 HG22 VAL 26 HG22 VAL 26 8.908 0.518 -4.289 203 HG23 VAL 26 HG23 VAL 26 9.279 1.857 -3.203 204 H ASP 27 H ASP 27 9.248 5.201 -4.432 205 HA ASP 27 HA ASP 27 9.979 5.005 -1.587 206 HB2 ASP 27 HB3 ASP 27 11.147 6.564 -3.911 207 HB3 ASP 27 HB2 ASP 27 11.804 6.590 -2.277 208 H LEU 28 H LEU 28 7.953 6.892 -3.555 209 HA LEU 28 HA LEU 28 8.108 9.260 -1.775 210 HB2 LEU 28 HB3 LEU 28 7.972 9.578 -4.243 211 HB3 LEU 28 HB2 LEU 28 6.399 8.788 -4.237 212 HG LEU 28 HG LEU 28 5.616 10.532 -2.592 213 HD11 LEU 28 HD11 LEU 28 7.142 12.679 -2.811 214 HD12 LEU 28 HD12 LEU 28 8.413 11.492 -3.103 215 HD13 LEU 28 HD13 LEU 28 7.504 11.456 -1.593 216 HD21 LEU 28 HD21 LEU 28 5.285 12.244 -4.287 217 HD22 LEU 28 HD22 LEU 28 5.212 10.663 -5.068 218 HD23 LEU 28 HD23 LEU 28 6.667 11.650 -5.208 219 H ASP 29 H ASP 29 6.474 9.763 -0.326 220 HA ASP 29 HA ASP 29 4.793 7.684 0.625 221 HB2 ASP 29 HB3 ASP 29 4.565 10.692 0.957 222 HB3 ASP 29 HB2 ASP 29 3.600 9.526 1.861 223 H LEU 30 H LEU 30 2.684 7.166 0.230 224 HA LEU 30 HA LEU 30 1.600 7.734 -2.354 225 HB2 LEU 30 HB3 LEU 30 1.233 5.756 -0.592 226 HB3 LEU 30 HB2 LEU 30 -0.157 6.748 -0.156 227 HG LEU 30 HG LEU 30 0.498 5.740 -2.936 228 HD11 LEU 30 HD11 LEU 30 -0.919 4.597 -0.704 229 HD12 LEU 30 HD12 LEU 30 -0.633 3.903 -2.299 230 HD13 LEU 30 HD13 LEU 30 -2.051 4.912 -2.019 231 HD21 LEU 30 HD21 LEU 30 -1.964 6.634 -3.213 232 HD22 LEU 30 HD22 LEU 30 -0.609 7.757 -3.321 233 HD23 LEU 30 HD23 LEU 30 -1.543 7.644 -1.830 234 H VAL 31 H VAL 31 0.854 8.978 0.888 235 HA VAL 31 HA VAL 31 -1.488 10.430 0.118 236 HB VAL 31 HB VAL 31 0.463 10.891 2.384 237 HG11 VAL 31 HG11 VAL 31 -1.967 11.985 3.102 238 HG12 VAL 31 HG12 VAL 31 -1.843 12.428 1.398 239 HG13 VAL 31 HG13 VAL 31 -0.576 12.906 2.529 240 HG21 VAL 31 HG21 VAL 31 -2.163 10.027 3.143 241 HG22 VAL 31 HG22 VAL 31 -0.635 9.169 3.343 242 HG23 VAL 31 HG23 VAL 31 -1.577 8.957 1.868 243 H ASP 32 H ASP 32 1.946 11.313 0.098 244 HA ASP 32 HA ASP 32 1.701 14.088 -0.320 245 HB2 ASP 32 HB3 ASP 32 3.666 12.116 -1.529 246 HB3 ASP 32 HB2 ASP 32 3.830 13.868 -1.665 247 H ASN 33 H ASN 33 1.189 11.394 -2.504 248 HA ASN 33 HA ASN 33 0.921 12.965 -4.909 249 HB2 ASN 33 HB3 ASN 33 -0.015 10.209 -4.129 250 HB3 ASN 33 HB2 ASN 33 -0.247 10.875 -5.739 251 HD21 ASN 33 HD22 ASN 33 2.232 12.255 -6.053 252 HD22 ASN 33 HD21 ASN 33 3.490 11.116 -6.076 253 H GLY 34 H GLY 34 -1.309 11.883 -2.396 254 HA2 GLY 34 HA3 GLY 34 -3.403 12.884 -1.853 255 HA3 GLY 34 HA2 GLY 34 -3.298 13.844 -3.332 256 H VAL 35 H VAL 35 -2.541 10.670 -4.026 257 HA VAL 35 HA VAL 35 -4.845 10.246 -5.654 258 HB VAL 35 HB VAL 35 -2.819 8.289 -4.535 259 HG11 VAL 35 HG11 VAL 35 -4.423 6.773 -5.146 260 HG12 VAL 35 HG12 VAL 35 -3.797 7.096 -6.763 261 HG13 VAL 35 HG13 VAL 35 -5.250 7.920 -6.199 262 HG21 VAL 35 HG21 VAL 35 -2.863 8.842 -7.409 263 HG22 VAL 35 HG22 VAL 35 -1.508 8.892 -6.281 264 HG23 VAL 35 HG23 VAL 35 -2.567 10.292 -6.450 265 H ILE 36 H ILE 36 -4.093 9.350 -2.322 266 HA ILE 36 HA ILE 36 -6.574 7.782 -2.089 267 HB ILE 36 HB ILE 36 -4.516 8.578 -0.005 268 HG12 ILE 36 HG13 ILE 36 -4.998 5.913 -1.367 269 HG13 ILE 36 HG12 ILE 36 -3.742 7.049 -1.840 270 HG21 ILE 36 HG21 ILE 36 -7.156 7.446 0.216 271 HG22 ILE 36 HG22 ILE 36 -6.008 7.827 1.500 272 HG23 ILE 36 HG23 ILE 36 -5.955 6.253 0.708 273 HD11 ILE 36 HD11 ILE 36 -2.395 6.273 -0.211 274 HD12 ILE 36 HD12 ILE 36 -3.638 5.104 0.236 275 HD13 ILE 36 HD13 ILE 36 -3.610 6.695 0.995 276 H ASP 37 H ASP 37 -8.453 8.806 -1.779 277 HA ASP 37 HA ASP 37 -8.473 11.367 -0.246 278 HB2 ASP 37 HB3 ASP 37 -10.245 10.384 -2.501 279 HB3 ASP 37 HB2 ASP 37 -10.590 11.816 -1.539 280 H ALA 38 H ALA 38 -11.183 11.522 0.277 281 HA ALA 38 HA ALA 38 -11.498 9.697 2.464 282 HB1 ALA 38 HB1 ALA 38 -13.186 11.748 1.122 283 HB2 ALA 38 HB2 ALA 38 -12.830 11.535 2.837 284 HB3 ALA 38 HB3 ALA 38 -14.040 10.518 2.054 285 H LEU 39 H LEU 39 -13.217 9.872 -0.663 286 HA LEU 39 HA LEU 39 -14.442 7.268 -0.323 287 HB2 LEU 39 HB3 LEU 39 -13.972 8.823 -2.879 288 HB3 LEU 39 HB2 LEU 39 -15.130 7.519 -2.648 289 HG LEU 39 HG LEU 39 -15.172 10.235 -1.326 290 HD11 LEU 39 HD11 LEU 39 -16.010 10.126 -3.660 291 HD12 LEU 39 HD12 LEU 39 -17.303 10.477 -2.513 292 HD13 LEU 39 HD13 LEU 39 -17.132 8.853 -3.179 293 HD21 LEU 39 HD21 LEU 39 -16.659 7.683 -0.767 294 HD22 LEU 39 HD22 LEU 39 -17.447 9.235 -0.483 295 HD23 LEU 39 HD23 LEU 39 -15.959 8.832 0.375 296 H GLY 40 H GLY 40 -11.543 8.582 -1.775 297 HA2 GLY 40 HA3 GLY 40 -10.664 6.286 -3.193 298 HA3 GLY 40 HA2 GLY 40 -9.603 7.538 -2.540 299 H LEU 41 H LEU 41 -10.308 7.268 0.191 300 HA LEU 41 HA LEU 41 -8.588 5.116 0.979 301 HB2 LEU 41 HB3 LEU 41 -8.991 7.190 2.314 302 HB3 LEU 41 HB2 LEU 41 -10.624 6.620 2.650 303 HG LEU 41 HG LEU 41 -8.472 4.670 3.217 304 HD11 LEU 41 HD11 LEU 41 -7.239 6.447 4.115 305 HD12 LEU 41 HD12 LEU 41 -8.195 5.925 5.502 306 HD13 LEU 41 HD13 LEU 41 -8.685 7.344 4.577 307 HD21 LEU 41 HD21 LEU 41 -9.940 4.009 4.910 308 HD22 LEU 41 HD22 LEU 41 -11.064 4.660 3.717 309 HD23 LEU 41 HD23 LEU 41 -10.596 5.633 5.110 310 H LEU 42 H LEU 42 -12.118 5.512 0.949 311 HA LEU 42 HA LEU 42 -12.767 3.011 2.167 312 HB2 LEU 42 HB3 LEU 42 -14.419 4.814 1.799 313 HB3 LEU 42 HB2 LEU 42 -14.286 4.581 0.057 314 HG LEU 42 HG LEU 42 -14.847 2.042 0.827 315 HD11 LEU 42 HD11 LEU 42 -16.255 1.918 2.674 316 HD12 LEU 42 HD12 LEU 42 -16.663 3.632 2.603 317 HD13 LEU 42 HD13 LEU 42 -15.089 3.125 3.215 318 HD21 LEU 42 HD21 LEU 42 -17.302 2.763 0.363 319 HD22 LEU 42 HD22 LEU 42 -16.099 3.009 -0.904 320 HD23 LEU 42 HD23 LEU 42 -16.614 4.366 0.101 321 H LYS 43 H LYS 43 -12.365 3.916 -1.242 322 HA LYS 43 HA LYS 43 -12.933 1.367 -2.348 323 HB2 LYS 43 HB3 LYS 43 -11.130 3.576 -3.348 324 HB3 LYS 43 HB2 LYS 43 -11.612 2.184 -4.309 325 HG2 LYS 43 HG3 LYS 43 -14.001 2.808 -3.946 326 HG3 LYS 43 HG2 LYS 43 -13.461 4.258 -3.102 327 HD2 LYS 43 HD3 LYS 43 -12.204 4.932 -5.155 328 HD3 LYS 43 HD2 LYS 43 -12.890 3.539 -5.991 329 HE2 LYS 43 HE3 LYS 43 -14.612 4.900 -6.535 330 HE3 LYS 43 HE2 LYS 43 -15.112 4.747 -4.851 331 HZ1 LYS 43 HZ1 LYS 43 -13.482 6.642 -4.437 332 HZ2 LYS 43 HZ2 LYS 43 -14.950 7.024 -5.195 333 HZ3 LYS 43 HZ3 LYS 43 -13.528 6.895 -6.116 334 H VAL 44 H VAL 44 -9.947 2.740 -1.050 335 HA VAL 44 HA VAL 44 -8.145 0.730 -1.942 336 HB VAL 44 HB VAL 44 -8.122 2.478 0.527 337 HG11 VAL 44 HG11 VAL 44 -5.654 1.901 0.546 338 HG12 VAL 44 HG12 VAL 44 -6.016 0.616 -0.606 339 HG13 VAL 44 HG13 VAL 44 -6.722 0.575 1.010 340 HG21 VAL 44 HG21 VAL 44 -6.161 2.833 -1.654 341 HG22 VAL 44 HG22 VAL 44 -7.101 4.042 -0.779 342 HG23 VAL 44 HG23 VAL 44 -7.832 3.153 -2.116 343 H ILE 45 H ILE 45 -9.902 1.009 1.142 344 HA ILE 45 HA ILE 45 -9.028 -1.539 2.140 345 HB ILE 45 HB ILE 45 -11.128 0.455 2.890 346 HG12 ILE 45 HG13 ILE 45 -9.867 0.330 5.039 347 HG13 ILE 45 HG12 ILE 45 -8.805 -0.878 4.318 348 HG21 ILE 45 HG21 ILE 45 -11.640 -1.175 4.826 349 HG22 ILE 45 HG22 ILE 45 -10.967 -2.422 3.777 350 HG23 ILE 45 HG23 ILE 45 -12.385 -1.507 3.264 351 HD11 ILE 45 HD11 ILE 45 -9.141 1.575 2.713 352 HD12 ILE 45 HD12 ILE 45 -7.678 0.666 3.085 353 HD13 ILE 45 HD13 ILE 45 -8.325 1.814 4.255 354 H ALA 46 H ALA 46 -11.789 -0.531 0.181 355 HA ALA 46 HA ALA 46 -13.381 -2.867 0.534 356 HB1 ALA 46 HB1 ALA 46 -14.732 -1.557 -0.684 357 HB2 ALA 46 HB2 ALA 46 -13.771 -1.958 -2.107 358 HB3 ALA 46 HB3 ALA 46 -13.376 -0.531 -1.150 359 H TRP 47 H TRP 47 -11.007 -2.134 -2.075 360 HA TRP 47 HA TRP 47 -11.339 -4.844 -3.146 361 HB2 TRP 47 HB3 TRP 47 -10.477 -3.877 -4.982 362 HB3 TRP 47 HB2 TRP 47 -10.201 -2.391 -4.069 363 HD1 TRP 47 HD1 TRP 47 -8.470 -5.806 -4.659 364 HE1 TRP 47 HE1 TRP 47 -5.920 -5.442 -4.504 365 HE3 TRP 47 HE3 TRP 47 -8.374 -0.868 -3.455 366 HZ2 TRP 47 HZ2 TRP 47 -4.084 -3.314 -3.935 367 HZ3 TRP 47 HZ3 TRP 47 -6.221 0.316 -3.106 368 HH2 TRP 47 HH2 TRP 47 -4.075 -0.904 -3.350 369 H LEU 48 H LEU 48 -8.790 -3.084 -1.388 370 HA LEU 48 HA LEU 48 -6.884 -5.174 -1.328 371 HB2 LEU 48 HB3 LEU 48 -6.504 -2.801 -0.593 372 HB3 LEU 48 HB2 LEU 48 -7.429 -3.149 0.865 373 HG LEU 48 HG LEU 48 -5.736 -5.149 1.102 374 HD11 LEU 48 HD11 LEU 48 -4.800 -4.253 -1.253 375 HD12 LEU 48 HD12 LEU 48 -3.754 -5.018 -0.056 376 HD13 LEU 48 HD13 LEU 48 -3.820 -3.260 -0.173 377 HD21 LEU 48 HD21 LEU 48 -5.540 -2.273 1.811 378 HD22 LEU 48 HD22 LEU 48 -4.066 -3.218 2.022 379 HD23 LEU 48 HD23 LEU 48 -5.544 -3.691 2.859 380 H GLU 49 H GLU 49 -9.580 -4.478 0.905 381 HA GLU 49 HA GLU 49 -8.941 -6.690 2.657 382 HB2 GLU 49 HB3 GLU 49 -10.930 -6.136 3.805 383 HB3 GLU 49 HB2 GLU 49 -10.335 -4.598 3.200 384 HG2 GLU 49 HG3 GLU 49 -12.550 -4.475 2.538 385 HG3 GLU 49 HG2 GLU 49 -11.829 -5.218 1.115 386 H ASP 50 H ASP 50 -11.052 -6.267 -0.150 387 HA ASP 50 HA ASP 50 -12.501 -8.701 0.064 388 HB2 ASP 50 HB3 ASP 50 -12.999 -6.818 -1.513 389 HB3 ASP 50 HB2 ASP 50 -11.624 -7.340 -2.482 390 H ARG 51 H ARG 51 -9.344 -8.029 -1.416 391 HA ARG 51 HA ARG 51 -8.998 -10.543 -2.679 392 HB2 ARG 51 HB3 ARG 51 -6.963 -8.624 -1.550 393 HB3 ARG 51 HB2 ARG 51 -6.560 -10.007 -2.560 394 HG2 ARG 51 HG3 ARG 51 -8.111 -9.096 -4.315 395 HG3 ARG 51 HG2 ARG 51 -8.300 -7.651 -3.322 396 HD2 ARG 51 HD3 ARG 51 -5.716 -8.696 -4.511 397 HD3 ARG 51 HD2 ARG 51 -6.577 -7.233 -4.986 398 HE ARG 51 HE ARG 51 -6.109 -6.757 -2.343 399 HH11 ARG 51 HH22 ARG 51 -4.165 -7.933 -4.937 400 HH12 ARG 51 HH21 ARG 51 -2.692 -7.277 -4.307 401 HH21 ARG 51 HH11 ARG 51 -4.196 -5.894 -1.507 402 HH22 ARG 51 HH12 ARG 51 -2.709 -6.121 -2.364 403 H PHE 52 H PHE 52 -8.297 -9.567 0.683 404 HA PHE 52 HA PHE 52 -7.232 -12.286 1.180 405 HB2 PHE 52 HB3 PHE 52 -7.310 -9.776 2.870 406 HB3 PHE 52 HB2 PHE 52 -6.688 -11.322 3.440 407 HD1 PHE 52 HD1 PHE 52 -4.643 -12.292 2.508 408 HD2 PHE 52 HD2 PHE 52 -6.140 -8.504 1.145 409 HE1 PHE 52 HE1 PHE 52 -2.478 -11.840 1.385 410 HE2 PHE 52 HE2 PHE 52 -3.975 -8.052 0.024 411 HZ PHE 52 HZ PHE 52 -2.144 -9.722 0.143 412 H GLY 53 H GLY 53 -10.186 -10.640 1.373 413 HA2 GLY 53 HA3 GLY 53 -12.257 -11.392 2.197 414 HA3 GLY 53 HA2 GLY 53 -11.460 -12.900 2.656 415 H ILE 54 H ILE 54 -10.312 -9.751 3.678 416 HA ILE 54 HA ILE 54 -10.971 -10.530 6.480 417 HB ILE 54 HB ILE 54 -9.121 -9.031 7.120 418 HG12 ILE 54 HG13 ILE 54 -8.856 -8.639 4.121 419 HG13 ILE 54 HG12 ILE 54 -9.363 -7.410 5.281 420 HG21 ILE 54 HG21 ILE 54 -7.288 -10.367 6.138 421 HG22 ILE 54 HG22 ILE 54 -8.396 -10.980 4.912 422 HG23 ILE 54 HG23 ILE 54 -8.639 -11.398 6.608 423 HD11 ILE 54 HD11 ILE 54 -7.178 -7.612 6.431 424 HD12 ILE 54 HD12 ILE 54 -6.983 -7.141 4.744 425 HD13 ILE 54 HD13 ILE 54 -6.671 -8.806 5.236 426 H ALA 55 H ALA 55 -11.790 -8.867 7.914 427 HA ALA 55 HA ALA 55 -13.291 -6.761 6.437 428 HB1 ALA 55 HB1 ALA 55 -13.791 -7.231 9.330 429 HB2 ALA 55 HB2 ALA 55 -14.225 -8.545 8.237 430 HB3 ALA 55 HB3 ALA 55 -14.938 -6.946 8.022 431 H ALA 56 H ALA 56 -12.764 -4.638 6.708 432 HA ALA 56 HA ALA 56 -10.387 -3.894 8.154 433 HB1 ALA 56 HB1 ALA 56 -12.409 -2.558 6.482 434 HB2 ALA 56 HB2 ALA 56 -10.667 -2.291 6.570 435 HB3 ALA 56 HB3 ALA 56 -11.737 -1.527 7.747 436 H ASP 57 H ASP 57 -13.785 -3.995 8.979 437 HA ASP 57 HA ASP 57 -13.870 -2.206 11.148 438 HB2 ASP 57 HB3 ASP 57 -15.277 -4.844 10.734 439 HB3 ASP 57 HB2 ASP 57 -15.680 -3.717 12.023 440 H ASP 58 H ASP 58 -12.620 -5.505 10.992 441 HA ASP 58 HA ASP 58 -12.349 -6.070 13.727 442 HB2 ASP 58 HB3 ASP 58 -11.790 -7.610 11.805 443 HB3 ASP 58 HB2 ASP 58 -10.275 -6.726 11.636 444 H VAL 59 H VAL 59 -10.298 -4.056 11.660 445 HA VAL 59 HA VAL 59 -8.963 -3.064 14.144 446 HB VAL 59 HB VAL 59 -7.456 -4.620 12.895 447 HG11 VAL 59 HG11 VAL 59 -7.307 -2.541 10.729 448 HG12 VAL 59 HG12 VAL 59 -8.535 -3.805 10.646 449 HG13 VAL 59 HG13 VAL 59 -6.825 -4.236 10.675 450 HG21 VAL 59 HG21 VAL 59 -6.613 -2.644 14.216 451 HG22 VAL 59 HG22 VAL 59 -6.573 -1.724 12.712 452 HG23 VAL 59 HG23 VAL 59 -5.538 -3.138 12.908 453 H GLU 60 H GLU 60 -8.567 -0.829 14.160 454 HA GLU 60 HA GLU 60 -10.024 0.706 12.100 455 HB2 GLU 60 HB3 GLU 60 -10.269 1.227 14.540 456 HB3 GLU 60 HB2 GLU 60 -8.575 1.705 14.569 457 HG2 GLU 60 HG3 GLU 60 -9.058 3.377 12.796 458 HG3 GLU 60 HG2 GLU 60 -10.761 2.947 12.895 459 H LEU 61 H LEU 61 -9.019 1.920 10.532 460 HA LEU 61 HA LEU 61 -6.071 1.732 10.385 461 HB2 LEU 61 HB3 LEU 61 -8.070 2.695 8.321 462 HB3 LEU 61 HB2 LEU 61 -6.366 2.359 8.050 463 HG LEU 61 HG LEU 61 -8.446 0.343 8.901 464 HD11 LEU 61 HD11 LEU 61 -6.835 0.307 6.361 465 HD12 LEU 61 HD12 LEU 61 -8.326 1.241 6.459 466 HD13 LEU 61 HD13 LEU 61 -8.361 -0.503 6.712 467 HD21 LEU 61 HD21 LEU 61 -5.464 0.292 8.715 468 HD22 LEU 61 HD22 LEU 61 -6.344 -1.153 8.220 469 HD23 LEU 61 HD23 LEU 61 -6.527 -0.527 9.859 470 H SER 62 H SER 62 -4.769 3.534 10.498 471 HA SER 62 HA SER 62 -6.126 6.142 10.994 472 HB2 SER 62 HB3 SER 62 -4.858 6.123 12.868 473 HB3 SER 62 HB2 SER 62 -3.912 4.753 12.295 474 HG SER 62 HG SER 62 -2.461 6.083 11.495 475 HA PRO 63 HA PRO 63 -4.426 7.916 7.355 476 HB2 PRO 63 HB2 PRO 63 -3.169 10.190 8.460 477 HB3 PRO 63 HB3 PRO 63 -4.841 10.090 7.885 478 HG2 PRO 63 HG3 PRO 63 -3.777 9.958 10.639 479 HG3 PRO 63 HG2 PRO 63 -5.336 10.559 10.052 480 HD2 PRO 63 HD3 PRO 63 -5.096 8.180 11.343 481 HD3 PRO 63 HD2 PRO 63 -6.312 8.454 10.075 482 H GLU 64 H GLU 64 -2.339 7.351 10.097 483 HA GLU 64 HA GLU 64 0.168 7.856 8.772 484 HB2 GLU 64 HB3 GLU 64 -0.509 6.153 11.174 485 HB3 GLU 64 HB2 GLU 64 1.122 6.563 10.671 486 HG2 GLU 64 HG3 GLU 64 0.562 8.964 10.901 487 HG3 GLU 64 HG2 GLU 64 -1.035 8.512 11.486 488 H HIS 65 H HIS 65 -2.032 5.152 8.914 489 HA HIS 65 HA HIS 65 -0.196 3.129 8.055 490 HB2 HIS 65 HB3 HIS 65 -2.150 2.171 8.819 491 HB3 HIS 65 HB2 HIS 65 -3.159 3.443 8.139 492 HD1 HIS 65 HD1 HIS 65 -2.095 0.028 7.525 493 HD2 HIS 65 HD2 HIS 65 -3.308 3.235 5.153 494 HE1 HIS 65 HE1 HIS 65 -2.767 -0.947 5.283 495 HE2 HIS 65 HE2 HIS 65 -3.502 0.997 3.833 496 H PHE 66 H PHE 66 -1.653 5.778 6.461 497 HA PHE 66 HA PHE 66 -1.170 4.596 3.785 498 HB2 PHE 66 HB3 PHE 66 -2.344 7.307 4.453 499 HB3 PHE 66 HB2 PHE 66 -2.425 6.460 2.911 500 HD1 PHE 66 HD1 PHE 66 -3.374 6.088 6.512 501 HD2 PHE 66 HD2 PHE 66 -4.244 5.046 2.439 502 HE1 PHE 66 HE1 PHE 66 -5.452 4.948 7.250 503 HE2 PHE 66 HE2 PHE 66 -6.320 3.907 3.175 504 HZ PHE 66 HZ PHE 66 -6.922 3.864 5.581 505 H ARG 67 H ARG 67 0.769 5.714 5.935 506 HA ARG 67 HA ARG 67 2.050 8.047 5.130 507 HB2 ARG 67 HB3 ARG 67 4.066 7.075 6.147 508 HB3 ARG 67 HB2 ARG 67 2.645 6.705 7.119 509 HG2 ARG 67 HG3 ARG 67 2.638 4.585 5.430 510 HG3 ARG 67 HG2 ARG 67 4.368 4.898 5.522 511 HD2 ARG 67 HD3 ARG 67 3.776 5.061 8.144 512 HD3 ARG 67 HD2 ARG 67 2.485 3.975 7.634 513 HE ARG 67 HE ARG 67 4.999 3.086 6.563 514 HH11 ARG 67 HH22 ARG 67 3.122 3.341 9.443 515 HH12 ARG 67 HH21 ARG 67 3.835 1.951 10.190 516 HH21 ARG 67 HH11 ARG 67 5.941 1.268 7.521 517 HH22 ARG 67 HH12 ARG 67 5.431 0.777 9.102 518 H SER 68 H SER 68 2.406 4.783 3.723 519 HA SER 68 HA SER 68 3.297 5.952 1.215 520 HB2 SER 68 HB3 SER 68 5.518 5.019 1.159 521 HB3 SER 68 HB2 SER 68 5.381 5.964 2.638 522 HG SER 68 HG SER 68 5.530 4.190 3.775 523 H ILE 69 H ILE 69 3.549 4.292 -0.464 524 HA ILE 69 HA ILE 69 1.609 2.239 -0.364 525 HB ILE 69 HB ILE 69 4.104 2.300 -2.086 526 HG12 ILE 69 HG13 ILE 69 2.048 3.351 -3.581 527 HG13 ILE 69 HG12 ILE 69 1.721 4.030 -1.991 528 HG21 ILE 69 HG21 ILE 69 3.182 0.532 -3.116 529 HG22 ILE 69 HG22 ILE 69 1.683 1.430 -3.364 530 HG23 ILE 69 HG23 ILE 69 1.923 0.508 -1.881 531 HD11 ILE 69 HD11 ILE 69 4.112 4.415 -3.759 532 HD12 ILE 69 HD12 ILE 69 4.311 4.548 -2.013 533 HD13 ILE 69 HD13 ILE 69 3.189 5.614 -2.854 534 H ARG 70 H ARG 70 5.033 2.309 0.403 535 HA ARG 70 HA ARG 70 5.568 -0.460 0.642 536 HB2 ARG 70 HB3 ARG 70 6.614 1.793 2.389 537 HB3 ARG 70 HB2 ARG 70 7.381 0.225 2.144 538 HG2 ARG 70 HG3 ARG 70 8.140 0.768 0.046 539 HG3 ARG 70 HG2 ARG 70 6.756 1.806 -0.302 540 HD2 ARG 70 HD3 ARG 70 8.766 3.180 -0.047 541 HD3 ARG 70 HD2 ARG 70 7.656 3.502 1.284 542 HE ARG 70 HE ARG 70 9.317 1.499 2.255 543 HH11 ARG 70 HH22 ARG 70 9.704 4.604 0.807 544 HH12 ARG 70 HH21 ARG 70 11.170 4.963 1.654 545 HH21 ARG 70 HH11 ARG 70 11.230 1.951 3.371 546 HH22 ARG 70 HH12 ARG 70 12.034 3.462 3.107 547 H SER 71 H SER 71 4.161 1.839 2.948 548 HA SER 71 HA SER 71 4.005 0.051 5.176 549 HB2 SER 71 HB3 SER 71 3.674 2.560 5.235 550 HB3 SER 71 HB2 SER 71 2.080 2.301 4.534 551 HG SER 71 HG SER 71 1.407 1.409 6.361 552 H ILE 72 H ILE 72 1.790 0.698 2.475 553 HA ILE 72 HA ILE 72 -0.431 -0.791 3.409 554 HB ILE 72 HB ILE 72 0.533 -0.531 0.551 555 HG12 ILE 72 HG13 ILE 72 0.437 1.683 1.508 556 HG13 ILE 72 HG12 ILE 72 -1.004 1.466 0.515 557 HG21 ILE 72 HG21 ILE 72 -1.730 -1.780 1.772 558 HG22 ILE 72 HG22 ILE 72 -1.334 -1.663 0.058 559 HG23 ILE 72 HG23 ILE 72 -2.283 -0.395 0.832 560 HD11 ILE 72 HD11 ILE 72 -1.889 2.353 2.489 561 HD12 ILE 72 HD12 ILE 72 -0.754 1.467 3.506 562 HD13 ILE 72 HD13 ILE 72 -2.088 0.619 2.728 563 H ASP 73 H ASP 73 2.368 -1.826 1.442 564 HA ASP 73 HA ASP 73 1.573 -4.544 1.144 565 HB2 ASP 73 HB3 ASP 73 3.513 -3.379 -0.015 566 HB3 ASP 73 HB2 ASP 73 4.421 -3.573 1.481 567 H ALA 74 H ALA 74 3.469 -2.930 3.676 568 HA ALA 74 HA ALA 74 4.000 -5.297 5.203 569 HB1 ALA 74 HB1 ALA 74 5.185 -3.856 6.472 570 HB2 ALA 74 HB2 ALA 74 3.757 -2.873 6.799 571 HB3 ALA 74 HB3 ALA 74 4.698 -2.601 5.331 572 H PHE 75 H PHE 75 1.397 -2.884 5.332 573 HA PHE 75 HA PHE 75 0.118 -3.892 7.675 574 HB2 PHE 75 HB3 PHE 75 -0.409 -1.700 6.599 575 HB3 PHE 75 HB2 PHE 75 -1.195 -2.581 5.291 576 HD1 PHE 75 HD1 PHE 75 -1.319 -1.830 8.917 577 HD2 PHE 75 HD2 PHE 75 -3.357 -3.597 5.574 578 HE1 PHE 75 HE1 PHE 75 -3.391 -2.001 10.271 579 HE2 PHE 75 HE2 PHE 75 -5.429 -3.767 6.928 580 HZ PHE 75 HZ PHE 75 -5.445 -2.970 9.276 581 H VAL 76 H VAL 76 -0.417 -4.630 4.222 582 HA VAL 76 HA VAL 76 -2.523 -6.506 4.610 583 HB VAL 76 HB VAL 76 -0.410 -6.236 2.456 584 HG11 VAL 76 HG11 VAL 76 -2.834 -8.035 2.634 585 HG12 VAL 76 HG12 VAL 76 -1.154 -8.518 2.404 586 HG13 VAL 76 HG13 VAL 76 -2.009 -7.663 1.122 587 HG21 VAL 76 HG21 VAL 76 -2.386 -4.523 2.999 588 HG22 VAL 76 HG22 VAL 76 -3.329 -5.701 2.087 589 HG23 VAL 76 HG23 VAL 76 -1.941 -4.911 1.337 590 H VAL 77 H VAL 77 1.012 -6.964 4.361 591 HA VAL 77 HA VAL 77 0.912 -9.811 4.748 592 HB VAL 77 HB VAL 77 3.102 -7.749 5.097 593 HG11 VAL 77 HG11 VAL 77 3.944 -9.398 6.469 594 HG12 VAL 77 HG12 VAL 77 4.470 -10.031 4.909 595 HG13 VAL 77 HG13 VAL 77 3.020 -10.674 5.679 596 HG21 VAL 77 HG21 VAL 77 3.485 -8.081 2.894 597 HG22 VAL 77 HG22 VAL 77 1.934 -8.919 2.839 598 HG23 VAL 77 HG23 VAL 77 3.422 -9.833 3.082 599 H GLY 78 H GLY 78 1.427 -7.055 6.926 600 HA2 GLY 78 HA3 GLY 78 1.983 -8.490 9.303 601 HA3 GLY 78 HA2 GLY 78 1.256 -6.890 9.251 602 H ALA 79 H ALA 79 -1.060 -7.843 7.677 603 HA ALA 79 HA ALA 79 -2.777 -8.494 9.883 604 HB1 ALA 79 HB1 ALA 79 -3.965 -7.392 8.254 605 HB2 ALA 79 HB2 ALA 79 -4.358 -9.050 7.801 606 HB3 ALA 79 HB3 ALA 79 -3.093 -8.177 6.938 607 H THR 80 H THR 80 -1.460 -10.492 7.233 608 HA THR 80 HA THR 80 -2.749 -12.859 8.488 609 HB THR 80 HB THR 80 -2.379 -13.999 6.411 610 HG1 THR 80 HG1 THR 80 -1.271 -12.399 4.792 611 HG21 THR 80 HG21 THR 80 -4.075 -11.974 6.611 612 HG22 THR 80 HG22 THR 80 -3.812 -12.773 5.061 613 HG23 THR 80 HG23 THR 80 -3.005 -11.246 5.414 614 H THR 81 H THR 81 0.427 -11.569 7.648 615 HA THR 81 HA THR 81 1.614 -13.739 9.304 616 HB THR 81 HB THR 81 3.581 -13.168 7.491 617 HG1 THR 81 HG1 THR 81 1.069 -13.104 6.187 618 HG21 THR 81 HG21 THR 81 1.400 -15.252 7.239 619 HG22 THR 81 HG22 THR 81 2.843 -15.402 8.241 620 HG23 THR 81 HG23 THR 81 2.992 -15.338 6.484 621 HA PRO 82 HA PRO 82 3.705 -10.642 11.665 622 HB2 PRO 82 HB2 PRO 82 6.271 -11.945 10.906 623 HB3 PRO 82 HB3 PRO 82 5.646 -11.544 12.514 624 HG2 PRO 82 HG3 PRO 82 5.657 -14.053 11.498 625 HG3 PRO 82 HG2 PRO 82 4.481 -13.479 12.688 626 HD2 PRO 82 HD3 PRO 82 4.065 -14.139 9.852 627 HD3 PRO 82 HD2 PRO 82 2.869 -13.936 11.151 628 HA PRO 83 HA PRO 83 4.916 -7.740 8.493 629 HB2 PRO 83 HB2 PRO 83 6.262 -5.916 10.100 630 HB3 PRO 83 HB3 PRO 83 4.516 -5.942 9.811 631 HG2 PRO 83 HG3 PRO 83 6.061 -6.877 12.146 632 HG3 PRO 83 HG2 PRO 83 4.416 -6.229 12.062 633 HD2 PRO 83 HD3 PRO 83 4.988 -8.898 12.395 634 HD3 PRO 83 HD2 PRO 83 3.481 -8.295 11.673 635 H VAL 84 H VAL 84 6.710 -7.275 7.227 636 HA VAL 84 HA VAL 84 9.262 -8.552 8.102 637 HB VAL 84 HB VAL 84 8.393 -7.705 5.320 638 HG11 VAL 84 HG11 VAL 84 10.724 -7.799 5.239 639 HG12 VAL 84 HG12 VAL 84 10.295 -9.463 4.842 640 HG13 VAL 84 HG13 VAL 84 10.817 -9.052 6.477 641 HG21 VAL 84 HG21 VAL 84 6.978 -9.519 6.165 642 HG22 VAL 84 HG22 VAL 84 8.406 -10.424 6.671 643 HG23 VAL 84 HG23 VAL 84 8.096 -10.154 4.956 644 H GLU 85 H GLU 85 10.997 -7.261 8.527 645 HA GLU 85 HA GLU 85 12.053 -5.195 9.031 646 HB2 GLU 85 HB3 GLU 85 11.559 -5.007 6.044 647 HB3 GLU 85 HB2 GLU 85 12.733 -4.042 6.939 648 HG2 GLU 85 HG3 GLU 85 13.859 -6.135 7.671 649 HG3 GLU 85 HG2 GLU 85 12.721 -7.066 6.696 650 H ALA 86 H ALA 86 9.443 -4.888 9.812 651 HA ALA 86 HA ALA 86 7.880 -2.915 8.556 652 HB1 ALA 86 HB1 ALA 86 8.061 -4.103 11.201 653 HB2 ALA 86 HB2 ALA 86 6.645 -3.475 10.358 654 HB3 ALA 86 HB3 ALA 86 7.661 -2.388 11.305 655 H LYS 87 H LYS 87 7.874 -0.648 8.622 656 HA LYS 87 HA LYS 87 10.369 0.694 8.753 657 HB2 LYS 87 HB3 LYS 87 7.565 1.812 9.046 658 HB3 LYS 87 HB2 LYS 87 9.008 2.785 8.764 659 HG2 LYS 87 HG3 LYS 87 9.420 1.493 6.666 660 HG3 LYS 87 HG2 LYS 87 7.899 0.639 6.931 661 HD2 LYS 87 HD3 LYS 87 6.717 2.844 6.934 662 HD3 LYS 87 HD2 LYS 87 8.245 3.623 6.521 663 HE2 LYS 87 HE3 LYS 87 6.376 2.262 4.784 664 HE3 LYS 87 HE2 LYS 87 7.801 3.210 4.354 665 HZ1 LYS 87 HZ1 LYS 87 9.139 1.200 4.944 666 HZ2 LYS 87 HZ2 LYS 87 8.162 1.028 3.569 667 HZ3 LYS 87 HZ3 LYS 87 7.683 0.330 5.041 668 H LEU 88 H LEU 88 7.892 0.168 11.217 669 HA LEU 88 HA LEU 88 8.862 1.992 13.174 670 HB2 LEU 88 HB3 LEU 88 7.461 -0.680 13.478 671 HB3 LEU 88 HB2 LEU 88 7.766 0.422 14.819 672 HG LEU 88 HG LEU 88 6.544 2.211 13.526 673 HD11 LEU 88 HD11 LEU 88 6.532 1.568 11.287 674 HD12 LEU 88 HD12 LEU 88 4.917 1.069 11.789 675 HD13 LEU 88 HD13 LEU 88 6.208 -0.124 11.667 676 HD21 LEU 88 HD21 LEU 88 4.986 1.509 15.010 677 HD22 LEU 88 HD22 LEU 88 5.452 -0.179 14.809 678 HD23 LEU 88 HD23 LEU 88 4.308 0.559 13.689 679 H GLN 89 H GLN 89 9.882 -1.286 12.322 680 HA GLN 89 HA GLN 89 11.974 -1.151 14.443 681 HB2 GLN 89 HB3 GLN 89 11.008 -3.465 12.733 682 HB3 GLN 89 HB2 GLN 89 12.294 -3.573 13.937 683 HG2 GLN 89 HG3 GLN 89 10.730 -2.890 15.702 684 HG3 GLN 89 HG2 GLN 89 9.439 -2.723 14.510 685 HE21 GLN 89 HE22 GLN 89 9.160 -4.550 16.679 686 HE22 GLN 89 HE21 GLN 89 9.198 -6.132 16.066 Start of MODEL 2 1 H1 SER -1 H1 SER -1 13.946 -9.428 -4.850 2 H2 SER -1 H2 SER -1 13.871 -9.043 -3.197 3 H3 SER -1 H3 SER -1 12.904 -8.203 -4.313 4 HA SER -1 HA SER -1 12.240 -10.821 -4.720 5 HB2 SER -1 HB3 SER -1 12.100 -10.317 -1.757 6 HB3 SER -1 HB2 SER -1 11.943 -11.840 -2.628 7 HG SER -1 HG SER -1 14.056 -12.015 -2.710 8 H GLU 0 H GLU 0 10.050 -10.723 -5.067 9 HA GLU 0 HA GLU 0 8.645 -8.265 -4.902 10 HB2 GLU 0 HB3 GLU 0 7.538 -11.089 -4.995 11 HB3 GLU 0 HB2 GLU 0 6.611 -9.625 -5.324 12 HG2 GLU 0 HG3 GLU 0 8.179 -9.073 -7.173 13 HG3 GLU 0 HG2 GLU 0 9.036 -10.586 -6.872 14 H MET 1 H MET 1 7.187 -7.446 -3.367 15 HA MET 1 HA MET 1 7.463 -8.593 -0.654 16 HB2 MET 1 HB3 MET 1 6.123 -6.031 -1.577 17 HB3 MET 1 HB2 MET 1 6.430 -6.494 0.097 18 HG2 MET 1 HG3 MET 1 8.868 -6.574 -0.407 19 HG3 MET 1 HG2 MET 1 8.519 -6.004 -2.038 20 HE1 MET 1 HE1 MET 1 10.548 -4.586 -0.261 21 HE2 MET 1 HE2 MET 1 10.123 -2.881 -0.460 22 HE3 MET 1 HE3 MET 1 10.072 -3.972 -1.842 23 H GLN 2 H GLN 2 6.070 -10.424 -1.780 24 HA GLN 2 HA GLN 2 4.027 -11.568 -1.806 25 HB2 GLN 2 HB3 GLN 2 3.151 -9.385 0.111 26 HB3 GLN 2 HB2 GLN 2 2.384 -10.956 -0.112 27 HG2 GLN 2 HG3 GLN 2 5.229 -10.523 0.841 28 HG3 GLN 2 HG2 GLN 2 3.863 -10.954 1.871 29 HE21 GLN 2 HE22 GLN 2 6.475 -12.405 0.665 30 HE22 GLN 2 HE21 GLN 2 5.858 -13.939 0.280 31 H HIS 3 H HIS 3 4.341 -10.089 -4.010 32 HA HIS 3 HA HIS 3 3.018 -9.336 -5.808 33 HB2 HIS 3 HB3 HIS 3 0.671 -8.877 -3.985 34 HB3 HIS 3 HB2 HIS 3 0.690 -9.355 -5.678 35 HD1 HIS 3 HD1 HIS 3 1.807 -11.854 -6.097 36 HD2 HIS 3 HD2 HIS 3 0.346 -11.038 -2.275 37 HE1 HIS 3 HE1 HIS 3 1.499 -14.094 -4.952 38 HE2 HIS 3 HE2 HIS 3 0.612 -13.607 -2.626 39 H ALA 4 H ALA 4 4.706 -7.609 -4.427 40 HA ALA 4 HA ALA 4 3.485 -5.213 -3.479 41 HB1 ALA 4 HB1 ALA 4 5.630 -4.542 -3.235 42 HB2 ALA 4 HB2 ALA 4 5.964 -4.753 -4.954 43 HB3 ALA 4 HB3 ALA 4 6.091 -6.127 -3.857 44 H SER 5 H SER 5 4.437 -6.239 -6.748 45 HA SER 5 HA SER 5 3.870 -3.761 -8.054 46 HB2 SER 5 HB3 SER 5 3.862 -5.045 -10.109 47 HB3 SER 5 HB2 SER 5 5.122 -5.695 -9.064 48 HG SER 5 HG SER 5 2.470 -6.702 -9.205 49 H VAL 6 H VAL 6 1.813 -6.479 -7.127 50 HA VAL 6 HA VAL 6 -0.497 -5.734 -8.627 51 HB VAL 6 HB VAL 6 -0.193 -7.205 -6.010 52 HG11 VAL 6 HG11 VAL 6 -2.403 -6.520 -5.834 53 HG12 VAL 6 HG12 VAL 6 -2.597 -7.995 -6.782 54 HG13 VAL 6 HG13 VAL 6 -2.619 -6.423 -7.582 55 HG21 VAL 6 HG21 VAL 6 0.744 -8.387 -7.910 56 HG22 VAL 6 HG22 VAL 6 -0.696 -8.060 -8.874 57 HG23 VAL 6 HG23 VAL 6 -0.790 -9.152 -7.493 58 H ILE 7 H ILE 7 0.543 -4.876 -5.342 59 HA ILE 7 HA ILE 7 -1.711 -3.279 -4.646 60 HB ILE 7 HB ILE 7 1.191 -2.918 -3.830 61 HG12 ILE 7 HG13 ILE 7 -1.004 -4.415 -2.375 62 HG13 ILE 7 HG12 ILE 7 0.135 -5.213 -3.461 63 HG21 ILE 7 HG21 ILE 7 -0.272 -0.982 -3.315 64 HG22 ILE 7 HG22 ILE 7 0.244 -1.815 -1.849 65 HG23 ILE 7 HG23 ILE 7 -1.387 -2.062 -2.476 66 HD11 ILE 7 HD11 ILE 7 0.748 -3.729 -0.899 67 HD12 ILE 7 HD12 ILE 7 1.995 -4.145 -2.075 68 HD13 ILE 7 HD13 ILE 7 1.075 -5.421 -1.277 69 H ALA 8 H ALA 8 1.316 -2.499 -6.321 70 HA ALA 8 HA ALA 8 0.920 0.309 -6.526 71 HB1 ALA 8 HB1 ALA 8 2.209 -1.203 -8.766 72 HB2 ALA 8 HB2 ALA 8 2.959 -1.260 -7.170 73 HB3 ALA 8 HB3 ALA 8 2.726 0.290 -7.980 74 H GLN 9 H GLN 9 -0.189 -2.372 -8.584 75 HA GLN 9 HA GLN 9 -1.258 -0.755 -10.685 76 HB2 GLN 9 HB3 GLN 9 -2.079 -3.499 -9.696 77 HB3 GLN 9 HB2 GLN 9 -2.679 -2.763 -11.182 78 HG2 GLN 9 HG3 GLN 9 -0.344 -2.569 -12.004 79 HG3 GLN 9 HG2 GLN 9 0.221 -3.375 -10.543 80 HE21 GLN 9 HE22 GLN 9 -0.128 -5.670 -10.350 81 HE22 GLN 9 HE21 GLN 9 -0.721 -6.609 -11.633 82 H PHE 10 H PHE 10 -2.715 -1.958 -7.667 83 HA PHE 10 HA PHE 10 -5.359 -1.048 -8.223 84 HB2 PHE 10 HB3 PHE 10 -3.860 -1.618 -5.682 85 HB3 PHE 10 HB2 PHE 10 -5.475 -0.915 -5.618 86 HD1 PHE 10 HD1 PHE 10 -7.365 -2.100 -6.864 87 HD2 PHE 10 HD2 PHE 10 -3.566 -3.939 -6.061 88 HE1 PHE 10 HE1 PHE 10 -8.373 -4.337 -7.220 89 HE2 PHE 10 HE2 PHE 10 -4.577 -6.176 -6.420 90 HZ PHE 10 HZ PHE 10 -6.979 -6.374 -6.993 91 H VAL 11 H VAL 11 -2.750 0.597 -6.399 92 HA VAL 11 HA VAL 11 -4.294 2.987 -6.002 93 HB VAL 11 HB VAL 11 -2.073 4.039 -5.522 94 HG11 VAL 11 HG11 VAL 11 -2.369 3.163 -3.473 95 HG12 VAL 11 HG12 VAL 11 -1.630 1.652 -4.003 96 HG13 VAL 11 HG13 VAL 11 -3.368 1.890 -4.175 97 HG21 VAL 11 HG21 VAL 11 -0.694 2.879 -7.140 98 HG22 VAL 11 HG22 VAL 11 -1.095 1.321 -6.422 99 HG23 VAL 11 HG23 VAL 11 -0.101 2.472 -5.530 100 H VAL 12 H VAL 12 -1.957 2.008 -8.502 101 HA VAL 12 HA VAL 12 -1.966 4.496 -9.919 102 HB VAL 12 HB VAL 12 -1.446 1.667 -10.855 103 HG11 VAL 12 HG11 VAL 12 -0.337 2.762 -12.802 104 HG12 VAL 12 HG12 VAL 12 -0.974 4.312 -12.257 105 HG13 VAL 12 HG13 VAL 12 -2.078 3.038 -12.779 106 HG21 VAL 12 HG21 VAL 12 0.786 3.520 -10.820 107 HG22 VAL 12 HG22 VAL 12 0.625 1.963 -10.009 108 HG23 VAL 12 HG23 VAL 12 0.026 3.427 -9.232 109 H GLU 13 H GLU 13 -3.923 1.532 -10.312 110 HA GLU 13 HA GLU 13 -5.469 2.601 -12.505 111 HB2 GLU 13 HB3 GLU 13 -5.918 0.285 -10.630 112 HB3 GLU 13 HB2 GLU 13 -6.982 0.659 -11.976 113 HG2 GLU 13 HG3 GLU 13 -5.058 0.496 -13.525 114 HG3 GLU 13 HG2 GLU 13 -4.033 0.043 -12.169 115 H GLU 14 H GLU 14 -5.671 2.854 -9.060 116 HA GLU 14 HA GLU 14 -8.457 3.425 -8.814 117 HB2 GLU 14 HB3 GLU 14 -6.903 2.931 -6.908 118 HB3 GLU 14 HB2 GLU 14 -6.215 4.542 -7.110 119 HG2 GLU 14 HG3 GLU 14 -8.494 5.513 -6.777 120 HG3 GLU 14 HG2 GLU 14 -9.104 3.889 -6.458 121 H PHE 15 H PHE 15 -5.738 5.459 -9.790 122 HA PHE 15 HA PHE 15 -7.725 7.608 -10.360 123 HB2 PHE 15 HB3 PHE 15 -6.547 8.103 -8.209 124 HB3 PHE 15 HB2 PHE 15 -5.020 8.113 -9.093 125 HD1 PHE 15 HD2 PHE 15 -8.388 9.719 -8.950 126 HD2 PHE 15 HD1 PHE 15 -4.316 10.035 -10.276 127 HE1 PHE 15 HE2 PHE 15 -8.787 12.075 -9.616 128 HE2 PHE 15 HE1 PHE 15 -4.715 12.389 -10.945 129 HZ PHE 15 HZ PHE 15 -6.950 13.410 -10.614 130 H LEU 16 H LEU 16 -4.399 6.428 -10.944 131 HA LEU 16 HA LEU 16 -4.553 7.740 -13.631 132 HB2 LEU 16 HB3 LEU 16 -2.379 7.524 -11.618 133 HB3 LEU 16 HB2 LEU 16 -1.914 7.386 -13.312 134 HG LEU 16 HG LEU 16 -3.755 9.593 -12.439 135 HD11 LEU 16 HD11 LEU 16 -1.767 9.659 -10.942 136 HD12 LEU 16 HD12 LEU 16 -1.815 11.037 -12.042 137 HD13 LEU 16 HD13 LEU 16 -0.723 9.690 -12.363 138 HD21 LEU 16 HD21 LEU 16 -3.310 10.451 -14.509 139 HD22 LEU 16 HD22 LEU 16 -2.854 8.789 -14.882 140 HD23 LEU 16 HD23 LEU 16 -1.615 9.968 -14.454 141 HA PRO 17 HA PRO 17 -4.191 3.163 -14.295 142 HB2 PRO 17 HB2 PRO 17 -6.079 3.014 -16.277 143 HB3 PRO 17 HB3 PRO 17 -6.452 2.857 -14.552 144 HG2 PRO 17 HG3 PRO 17 -6.876 5.141 -16.374 145 HG3 PRO 17 HG2 PRO 17 -7.808 4.630 -14.962 146 HD2 PRO 17 HD3 PRO 17 -5.998 6.745 -15.007 147 HD3 PRO 17 HD2 PRO 17 -6.572 5.925 -13.542 148 H ASP 18 H ASP 18 -3.862 5.958 -16.277 149 HA ASP 18 HA ASP 18 -2.811 4.442 -18.577 150 HB2 ASP 18 HB3 ASP 18 -3.178 7.392 -18.055 151 HB3 ASP 18 HB2 ASP 18 -2.495 6.740 -19.539 152 H VAL 19 H VAL 19 -1.551 5.052 -15.679 153 HA VAL 19 HA VAL 19 1.126 5.867 -16.738 154 HB VAL 19 HB VAL 19 0.102 5.932 -13.884 155 HG11 VAL 19 HG11 VAL 19 2.734 6.310 -15.154 156 HG12 VAL 19 HG12 VAL 19 2.337 5.968 -13.470 157 HG13 VAL 19 HG13 VAL 19 2.260 7.622 -14.075 158 HG21 VAL 19 HG21 VAL 19 -0.999 7.569 -15.432 159 HG22 VAL 19 HG22 VAL 19 0.596 8.209 -15.828 160 HG23 VAL 19 HG23 VAL 19 -0.026 8.348 -14.184 161 H ALA 20 H ALA 20 2.811 4.437 -16.554 162 HA ALA 20 HA ALA 20 2.243 1.688 -15.872 163 HB1 ALA 20 HB1 ALA 20 4.187 3.007 -17.345 164 HB2 ALA 20 HB2 ALA 20 4.171 1.283 -16.975 165 HB3 ALA 20 HB3 ALA 20 5.076 2.398 -15.949 166 HA PRO 21 HA PRO 21 2.795 2.349 -11.400 167 HB2 PRO 21 HB2 PRO 21 3.305 -0.583 -11.451 168 HB3 PRO 21 HB3 PRO 21 2.178 0.347 -10.450 169 HG2 PRO 21 HG3 PRO 21 1.373 -1.158 -12.520 170 HG3 PRO 21 HG2 PRO 21 0.544 0.330 -12.034 171 HD2 PRO 21 HD3 PRO 21 2.251 -0.171 -14.408 172 HD3 PRO 21 HD2 PRO 21 0.965 1.032 -14.165 173 H ALA 22 H ALA 22 5.011 0.607 -13.507 174 HA ALA 22 HA ALA 22 7.180 0.334 -11.652 175 HB1 ALA 22 HB1 ALA 22 8.084 -0.733 -13.417 176 HB2 ALA 22 HB2 ALA 22 8.153 0.779 -14.322 177 HB3 ALA 22 HB3 ALA 22 6.708 -0.228 -14.397 178 H ASP 23 H ASP 23 5.960 3.021 -13.499 179 HA ASP 23 HA ASP 23 8.393 4.625 -13.201 180 HB2 ASP 23 HB3 ASP 23 6.803 4.895 -15.125 181 HB3 ASP 23 HB2 ASP 23 5.605 5.520 -13.991 182 H VAL 24 H VAL 24 6.328 3.580 -10.947 183 HA VAL 24 HA VAL 24 6.059 6.198 -9.545 184 HB VAL 24 HB VAL 24 4.968 3.522 -8.655 185 HG11 VAL 24 HG11 VAL 24 3.556 6.053 -8.089 186 HG12 VAL 24 HG12 VAL 24 5.145 5.912 -7.336 187 HG13 VAL 24 HG13 VAL 24 3.908 4.695 -7.021 188 HG21 VAL 24 HG21 VAL 24 3.547 5.635 -10.311 189 HG22 VAL 24 HG22 VAL 24 2.878 4.094 -9.770 190 HG23 VAL 24 HG23 VAL 24 4.175 4.123 -10.966 191 H ASP 25 H ASP 25 7.336 6.641 -7.784 192 HA ASP 25 HA ASP 25 9.368 4.630 -7.049 193 HB2 ASP 25 HB3 ASP 25 8.936 7.503 -6.169 194 HB3 ASP 25 HB2 ASP 25 10.283 6.492 -5.644 195 H VAL 26 H VAL 26 8.961 3.234 -5.397 196 HA VAL 26 HA VAL 26 6.670 3.550 -3.666 197 HB VAL 26 HB VAL 26 7.530 1.539 -2.541 198 HG11 VAL 26 HG11 VAL 26 6.917 1.790 -5.310 199 HG12 VAL 26 HG12 VAL 26 6.681 0.384 -4.272 200 HG13 VAL 26 HG13 VAL 26 8.193 0.582 -5.158 201 HG21 VAL 26 HG21 VAL 26 10.010 2.296 -4.061 202 HG22 VAL 26 HG22 VAL 26 9.711 0.602 -3.671 203 HG23 VAL 26 HG23 VAL 26 9.849 1.793 -2.378 204 H ASP 27 H ASP 27 9.427 5.271 -3.710 205 HA ASP 27 HA ASP 27 9.857 5.320 -0.780 206 HB2 ASP 27 HB3 ASP 27 11.272 6.678 -3.091 207 HB3 ASP 27 HB2 ASP 27 11.700 6.916 -1.400 208 H LEU 28 H LEU 28 7.756 6.676 -2.915 209 HA LEU 28 HA LEU 28 7.755 9.354 -1.616 210 HB2 LEU 28 HB3 LEU 28 7.654 9.240 -4.102 211 HB3 LEU 28 HB2 LEU 28 6.142 8.346 -3.980 212 HG LEU 28 HG LEU 28 5.178 10.270 -2.685 213 HD11 LEU 28 HD11 LEU 28 6.727 11.680 -1.811 214 HD12 LEU 28 HD12 LEU 28 6.767 12.405 -3.418 215 HD13 LEU 28 HD13 LEU 28 7.959 11.186 -2.972 216 HD21 LEU 28 HD21 LEU 28 5.533 11.876 -4.863 217 HD22 LEU 28 HD22 LEU 28 4.420 10.508 -4.825 218 HD23 LEU 28 HD23 LEU 28 6.029 10.316 -5.520 219 H ASP 29 H ASP 29 6.177 9.882 -0.159 220 HA ASP 29 HA ASP 29 4.461 7.819 0.873 221 HB2 ASP 29 HB3 ASP 29 4.490 10.818 1.319 222 HB3 ASP 29 HB2 ASP 29 3.475 9.700 2.229 223 H LEU 30 H LEU 30 2.304 7.410 0.459 224 HA LEU 30 HA LEU 30 1.157 8.302 -2.011 225 HB2 LEU 30 HB3 LEU 30 -0.050 6.919 0.393 226 HB3 LEU 30 HB2 LEU 30 -0.939 7.212 -1.102 227 HG LEU 30 HG LEU 30 1.681 5.696 -0.946 228 HD11 LEU 30 HD11 LEU 30 -0.967 4.891 -0.230 229 HD12 LEU 30 HD12 LEU 30 0.488 3.901 -0.305 230 HD13 LEU 30 HD13 LEU 30 -0.535 4.072 -1.731 231 HD21 LEU 30 HD21 LEU 30 1.637 6.135 -3.175 232 HD22 LEU 30 HD22 LEU 30 -0.034 6.695 -3.116 233 HD23 LEU 30 HD23 LEU 30 0.313 4.972 -3.242 234 H VAL 31 H VAL 31 0.616 9.318 1.351 235 HA VAL 31 HA VAL 31 -1.633 10.993 0.767 236 HB VAL 31 HB VAL 31 0.387 11.123 3.017 237 HG11 VAL 31 HG11 VAL 31 -1.960 12.301 3.875 238 HG12 VAL 31 HG12 VAL 31 -1.822 12.887 2.216 239 HG13 VAL 31 HG13 VAL 31 -0.516 13.176 3.365 240 HG21 VAL 31 HG21 VAL 31 -0.795 9.384 3.832 241 HG22 VAL 31 HG22 VAL 31 -1.801 9.387 2.383 242 HG23 VAL 31 HG23 VAL 31 -2.261 10.364 3.779 243 H ASP 32 H ASP 32 1.860 11.659 0.808 244 HA ASP 32 HA ASP 32 1.769 14.465 0.584 245 HB2 ASP 32 HB3 ASP 32 3.645 12.476 -0.731 246 HB3 ASP 32 HB2 ASP 32 3.903 14.221 -0.752 247 H ASN 33 H ASN 33 1.158 11.956 -1.785 248 HA ASN 33 HA ASN 33 1.000 13.699 -4.080 249 HB2 ASN 33 HB3 ASN 33 -0.093 10.948 -3.504 250 HB3 ASN 33 HB2 ASN 33 -0.237 11.732 -5.072 251 HD21 ASN 33 HD22 ASN 33 1.248 9.312 -4.802 252 HD22 ASN 33 HD21 ASN 33 2.894 9.649 -5.042 253 H GLY 34 H GLY 34 -1.320 12.548 -1.679 254 HA2 GLY 34 HA3 GLY 34 -3.400 13.546 -1.108 255 HA3 GLY 34 HA2 GLY 34 -3.194 14.673 -2.453 256 H VAL 35 H VAL 35 -2.533 11.623 -3.564 257 HA VAL 35 HA VAL 35 -4.835 11.498 -5.253 258 HB VAL 35 HB VAL 35 -2.852 9.350 -4.441 259 HG11 VAL 35 HG11 VAL 35 -3.696 8.257 -6.584 260 HG12 VAL 35 HG12 VAL 35 -5.052 9.382 -6.519 261 HG13 VAL 35 HG13 VAL 35 -4.811 8.214 -5.219 262 HG21 VAL 35 HG21 VAL 35 -2.915 10.474 -7.177 263 HG22 VAL 35 HG22 VAL 35 -1.533 10.103 -6.146 264 HG23 VAL 35 HG23 VAL 35 -2.424 11.609 -5.920 265 H ILE 36 H ILE 36 -4.112 10.144 -2.083 266 HA ILE 36 HA ILE 36 -6.606 8.574 -2.084 267 HB ILE 36 HB ILE 36 -4.538 9.020 0.092 268 HG12 ILE 36 HG13 ILE 36 -5.039 6.643 -1.725 269 HG13 ILE 36 HG12 ILE 36 -3.735 7.806 -1.925 270 HG21 ILE 36 HG21 ILE 36 -5.637 7.046 1.130 271 HG22 ILE 36 HG22 ILE 36 -6.868 7.094 -0.129 272 HG23 ILE 36 HG23 ILE 36 -6.727 8.427 1.016 273 HD11 ILE 36 HD11 ILE 36 -3.023 5.738 -0.709 274 HD12 ILE 36 HD12 ILE 36 -4.163 6.148 0.570 275 HD13 ILE 36 HD13 ILE 36 -2.795 7.208 0.236 276 H ASP 37 H ASP 37 -8.477 9.468 -1.511 277 HA ASP 37 HA ASP 37 -8.465 11.856 0.277 278 HB2 ASP 37 HB3 ASP 37 -10.363 11.026 -1.936 279 HB3 ASP 37 HB2 ASP 37 -10.681 12.349 -0.820 280 H ALA 38 H ALA 38 -11.283 11.762 0.762 281 HA ALA 38 HA ALA 38 -11.366 9.847 2.916 282 HB1 ALA 38 HB1 ALA 38 -13.309 10.897 3.526 283 HB2 ALA 38 HB2 ALA 38 -13.934 10.910 1.877 284 HB3 ALA 38 HB3 ALA 38 -12.752 12.118 2.382 285 H LEU 39 H LEU 39 -13.188 10.040 -0.147 286 HA LEU 39 HA LEU 39 -14.315 7.403 0.105 287 HB2 LEU 39 HB3 LEU 39 -13.820 9.003 -2.419 288 HB3 LEU 39 HB2 LEU 39 -14.953 7.671 -2.232 289 HG LEU 39 HG LEU 39 -15.084 10.363 -0.869 290 HD11 LEU 39 HD11 LEU 39 -17.022 10.745 -2.181 291 HD12 LEU 39 HD12 LEU 39 -17.147 9.044 -2.633 292 HD13 LEU 39 HD13 LEU 39 -15.858 10.043 -3.305 293 HD21 LEU 39 HD21 LEU 39 -16.527 7.771 -0.386 294 HD22 LEU 39 HD22 LEU 39 -17.360 9.300 -0.102 295 HD23 LEU 39 HD23 LEU 39 -15.886 8.919 0.790 296 H GLY 40 H GLY 40 -11.384 8.778 -1.197 297 HA2 GLY 40 HA3 GLY 40 -10.440 6.557 -2.680 298 HA3 GLY 40 HA2 GLY 40 -9.407 7.766 -1.908 299 H LEU 41 H LEU 41 -10.225 7.362 0.763 300 HA LEU 41 HA LEU 41 -8.581 5.136 1.518 301 HB2 LEU 41 HB3 LEU 41 -8.982 7.144 2.941 302 HB3 LEU 41 HB2 LEU 41 -10.654 6.627 3.155 303 HG LEU 41 HG LEU 41 -8.647 4.546 3.743 304 HD11 LEU 41 HD11 LEU 41 -8.945 6.974 5.538 305 HD12 LEU 41 HD12 LEU 41 -7.506 6.585 4.596 306 HD13 LEU 41 HD13 LEU 41 -8.017 5.519 5.906 307 HD21 LEU 41 HD21 LEU 41 -10.830 5.619 5.525 308 HD22 LEU 41 HD22 LEU 41 -10.219 3.970 5.405 309 HD23 LEU 41 HD23 LEU 41 -11.227 4.632 4.118 310 H LEU 42 H LEU 42 -12.091 5.626 1.344 311 HA LEU 42 HA LEU 42 -12.883 3.106 2.416 312 HB2 LEU 42 HB3 LEU 42 -14.458 4.969 2.011 313 HB3 LEU 42 HB2 LEU 42 -14.222 4.792 0.273 314 HG LEU 42 HG LEU 42 -14.901 2.246 0.914 315 HD11 LEU 42 HD11 LEU 42 -16.442 4.032 2.816 316 HD12 LEU 42 HD12 LEU 42 -15.252 2.819 3.289 317 HD13 LEU 42 HD13 LEU 42 -16.761 2.323 2.523 318 HD21 LEU 42 HD21 LEU 42 -17.307 3.066 0.339 319 HD22 LEU 42 HD22 LEU 42 -16.025 3.305 -0.850 320 HD23 LEU 42 HD23 LEU 42 -16.550 4.649 0.166 321 H LYS 43 H LYS 43 -12.237 4.112 -0.927 322 HA LYS 43 HA LYS 43 -12.818 1.636 -2.171 323 HB2 LYS 43 HB3 LYS 43 -10.827 3.779 -2.931 324 HB3 LYS 43 HB2 LYS 43 -11.290 2.447 -3.983 325 HG2 LYS 43 HG3 LYS 43 -13.668 3.186 -3.809 326 HG3 LYS 43 HG2 LYS 43 -13.133 4.577 -2.866 327 HD2 LYS 43 HD3 LYS 43 -11.662 5.250 -4.773 328 HD3 LYS 43 HD2 LYS 43 -12.335 3.920 -5.717 329 HE2 LYS 43 HE3 LYS 43 -13.626 5.809 -6.346 330 HE3 LYS 43 HE2 LYS 43 -14.639 4.941 -5.192 331 HZ1 LYS 43 HZ1 LYS 43 -12.804 6.919 -4.096 332 HZ2 LYS 43 HZ2 LYS 43 -14.389 6.532 -3.630 333 HZ3 LYS 43 HZ3 LYS 43 -14.120 7.521 -4.985 334 H VAL 44 H VAL 44 -9.897 2.806 -0.574 335 HA VAL 44 HA VAL 44 -8.123 0.744 -1.397 336 HB VAL 44 HB VAL 44 -8.212 2.416 1.119 337 HG11 VAL 44 HG11 VAL 44 -6.340 0.260 0.212 338 HG12 VAL 44 HG12 VAL 44 -6.869 0.668 1.844 339 HG13 VAL 44 HG13 VAL 44 -5.664 1.668 1.033 340 HG21 VAL 44 HG21 VAL 44 -7.045 3.962 -0.069 341 HG22 VAL 44 HG22 VAL 44 -7.643 3.108 -1.491 342 HG23 VAL 44 HG23 VAL 44 -6.044 2.735 -0.847 343 H ILE 45 H ILE 45 -10.130 0.983 1.543 344 HA ILE 45 HA ILE 45 -9.409 -1.617 2.521 345 HB ILE 45 HB ILE 45 -11.733 0.230 3.087 346 HG12 ILE 45 HG13 ILE 45 -10.438 0.150 5.375 347 HG13 ILE 45 HG12 ILE 45 -9.095 -0.416 4.387 348 HG21 ILE 45 HG21 ILE 45 -12.040 -1.321 5.103 349 HG22 ILE 45 HG22 ILE 45 -11.076 -2.492 4.203 350 HG23 ILE 45 HG23 ILE 45 -12.609 -1.920 3.546 351 HD11 ILE 45 HD11 ILE 45 -9.174 1.572 3.019 352 HD12 ILE 45 HD12 ILE 45 -9.151 2.079 4.706 353 HD13 ILE 45 HD13 ILE 45 -10.662 2.108 3.800 354 H ALA 46 H ALA 46 -11.949 -0.515 0.322 355 HA ALA 46 HA ALA 46 -13.553 -2.881 0.463 356 HB1 ALA 46 HB1 ALA 46 -14.558 -2.097 -1.612 357 HB2 ALA 46 HB2 ALA 46 -13.197 -1.009 -1.890 358 HB3 ALA 46 HB3 ALA 46 -14.292 -0.725 -0.536 359 H TRP 47 H TRP 47 -11.022 -1.977 -1.932 360 HA TRP 47 HA TRP 47 -11.207 -4.636 -3.153 361 HB2 TRP 47 HB3 TRP 47 -10.284 -3.533 -4.877 362 HB3 TRP 47 HB2 TRP 47 -10.070 -2.106 -3.862 363 HD1 TRP 47 HD1 TRP 47 -8.272 -5.486 -4.490 364 HE1 TRP 47 HE1 TRP 47 -5.735 -5.089 -4.242 365 HE3 TRP 47 HE3 TRP 47 -8.281 -0.567 -3.195 366 HZ2 TRP 47 HZ2 TRP 47 -3.945 -2.955 -3.578 367 HZ3 TRP 47 HZ3 TRP 47 -6.155 0.636 -2.757 368 HH2 TRP 47 HH2 TRP 47 -3.988 -0.554 -2.950 369 H LEU 48 H LEU 48 -8.831 -2.910 -1.147 370 HA LEU 48 HA LEU 48 -6.873 -4.947 -1.086 371 HB2 LEU 48 HB3 LEU 48 -6.609 -2.607 -0.204 372 HB3 LEU 48 HB2 LEU 48 -7.598 -3.066 1.178 373 HG LEU 48 HG LEU 48 -5.932 -4.951 1.572 374 HD11 LEU 48 HD11 LEU 48 -4.290 -5.260 0.065 375 HD12 LEU 48 HD12 LEU 48 -3.684 -3.640 0.405 376 HD13 LEU 48 HD13 LEU 48 -4.875 -3.885 -0.870 377 HD21 LEU 48 HD21 LEU 48 -5.762 -2.111 2.133 378 HD22 LEU 48 HD22 LEU 48 -4.153 -2.831 2.083 379 HD23 LEU 48 HD23 LEU 48 -5.373 -3.473 3.183 380 H GLU 49 H GLU 49 -9.716 -4.461 1.014 381 HA GLU 49 HA GLU 49 -9.105 -6.736 2.695 382 HB2 GLU 49 HB3 GLU 49 -11.169 -6.297 3.743 383 HB3 GLU 49 HB2 GLU 49 -10.616 -4.715 3.224 384 HG2 GLU 49 HG3 GLU 49 -12.826 -4.711 2.474 385 HG3 GLU 49 HG2 GLU 49 -11.953 -5.261 1.048 386 H ASP 50 H ASP 50 -11.077 -6.241 -0.205 387 HA ASP 50 HA ASP 50 -12.431 -8.736 -0.203 388 HB2 ASP 50 HB3 ASP 50 -12.889 -6.781 -1.717 389 HB3 ASP 50 HB2 ASP 50 -11.453 -7.239 -2.632 390 H ARG 51 H ARG 51 -9.214 -7.878 -1.424 391 HA ARG 51 HA ARG 51 -8.683 -10.297 -2.803 392 HB2 ARG 51 HB3 ARG 51 -6.825 -8.365 -1.425 393 HB3 ARG 51 HB2 ARG 51 -6.279 -9.679 -2.461 394 HG2 ARG 51 HG3 ARG 51 -7.670 -8.761 -4.310 395 HG3 ARG 51 HG2 ARG 51 -8.108 -7.405 -3.270 396 HD2 ARG 51 HD3 ARG 51 -6.263 -6.716 -4.685 397 HD3 ARG 51 HD2 ARG 51 -5.668 -6.875 -3.032 398 HE ARG 51 HE ARG 51 -5.342 -9.263 -4.723 399 HH11 ARG 51 HH22 ARG 51 -4.052 -6.330 -3.444 400 HH12 ARG 51 HH21 ARG 51 -2.402 -6.800 -3.675 401 HH21 ARG 51 HH11 ARG 51 -3.194 -9.890 -5.034 402 HH22 ARG 51 HH12 ARG 51 -1.916 -8.814 -4.577 403 H PHE 52 H PHE 52 -8.177 -9.497 0.648 404 HA PHE 52 HA PHE 52 -7.100 -12.233 1.034 405 HB2 PHE 52 HB3 PHE 52 -7.230 -9.801 2.830 406 HB3 PHE 52 HB2 PHE 52 -6.650 -11.376 3.367 407 HD1 PHE 52 HD2 PHE 52 -6.012 -8.540 1.087 408 HD2 PHE 52 HD1 PHE 52 -4.539 -12.282 2.597 409 HE1 PHE 52 HE2 PHE 52 -3.797 -8.078 0.072 410 HE2 PHE 52 HE1 PHE 52 -2.325 -11.820 1.582 411 HZ PHE 52 HZ PHE 52 -1.954 -9.718 0.320 412 H GLY 53 H GLY 53 -10.073 -10.630 1.208 413 HA2 GLY 53 HA3 GLY 53 -12.160 -11.431 1.937 414 HA3 GLY 53 HA2 GLY 53 -11.365 -12.959 2.331 415 H ILE 54 H ILE 54 -10.273 -9.866 3.565 416 HA ILE 54 HA ILE 54 -10.985 -10.821 6.297 417 HB ILE 54 HB ILE 54 -9.197 -9.292 7.064 418 HG12 ILE 54 HG13 ILE 54 -8.843 -8.782 4.092 419 HG13 ILE 54 HG12 ILE 54 -9.427 -7.612 5.275 420 HG21 ILE 54 HG21 ILE 54 -8.393 -11.163 4.815 421 HG22 ILE 54 HG22 ILE 54 -8.631 -11.617 6.502 422 HG23 ILE 54 HG23 ILE 54 -7.302 -10.546 6.056 423 HD11 ILE 54 HD11 ILE 54 -6.699 -8.937 5.310 424 HD12 ILE 54 HD12 ILE 54 -7.286 -7.765 6.491 425 HD13 ILE 54 HD13 ILE 54 -7.028 -7.275 4.817 426 H ALA 55 H ALA 55 -11.880 -9.272 7.808 427 HA ALA 55 HA ALA 55 -13.449 -7.158 6.426 428 HB1 ALA 55 HB1 ALA 55 -14.392 -7.180 8.983 429 HB2 ALA 55 HB2 ALA 55 -13.835 -8.846 8.825 430 HB3 ALA 55 HB3 ALA 55 -15.028 -8.204 7.696 431 H ALA 56 H ALA 56 -13.080 -5.016 6.817 432 HA ALA 56 HA ALA 56 -10.689 -4.200 8.203 433 HB1 ALA 56 HB1 ALA 56 -11.075 -2.437 6.854 434 HB2 ALA 56 HB2 ALA 56 -12.368 -1.951 7.950 435 HB3 ALA 56 HB3 ALA 56 -12.730 -2.969 6.556 436 H ASP 57 H ASP 57 -13.983 -4.682 9.191 437 HA ASP 57 HA ASP 57 -14.189 -2.960 11.400 438 HB2 ASP 57 HB3 ASP 57 -15.233 -5.766 11.011 439 HB3 ASP 57 HB2 ASP 57 -15.715 -4.723 12.344 440 H ASP 58 H ASP 58 -12.509 -6.058 11.119 441 HA ASP 58 HA ASP 58 -12.000 -6.552 13.848 442 HB2 ASP 58 HB3 ASP 58 -10.280 -7.091 11.426 443 HB3 ASP 58 HB2 ASP 58 -9.937 -7.735 13.031 444 H VAL 59 H VAL 59 -10.270 -4.436 11.584 445 HA VAL 59 HA VAL 59 -8.968 -3.165 13.948 446 HB VAL 59 HB VAL 59 -7.350 -4.709 12.834 447 HG11 VAL 59 HG11 VAL 59 -7.421 -2.826 10.482 448 HG12 VAL 59 HG12 VAL 59 -8.469 -4.243 10.532 449 HG13 VAL 59 HG13 VAL 59 -6.716 -4.439 10.581 450 HG21 VAL 59 HG21 VAL 59 -5.572 -3.194 12.963 451 HG22 VAL 59 HG22 VAL 59 -6.825 -2.347 13.871 452 HG23 VAL 59 HG23 VAL 59 -6.493 -1.899 12.198 453 H GLU 60 H GLU 60 -8.785 -0.916 13.781 454 HA GLU 60 HA GLU 60 -10.279 0.301 11.532 455 HB2 GLU 60 HB3 GLU 60 -10.757 0.966 13.902 456 HB3 GLU 60 HB2 GLU 60 -9.127 1.622 14.006 457 HG2 GLU 60 HG3 GLU 60 -9.642 3.104 12.080 458 HG3 GLU 60 HG2 GLU 60 -11.295 2.502 12.096 459 H LEU 61 H LEU 61 -9.274 1.455 9.923 460 HA LEU 61 HA LEU 61 -6.322 1.618 10.032 461 HB2 LEU 61 HB3 LEU 61 -8.188 2.149 7.705 462 HB3 LEU 61 HB2 LEU 61 -6.447 1.923 7.635 463 HG LEU 61 HG LEU 61 -8.503 -0.137 8.429 464 HD11 LEU 61 HD11 LEU 61 -8.175 -1.079 6.370 465 HD12 LEU 61 HD12 LEU 61 -6.478 -0.607 6.312 466 HD13 LEU 61 HD13 LEU 61 -7.734 0.571 5.933 467 HD21 LEU 61 HD21 LEU 61 -6.697 -0.629 9.847 468 HD22 LEU 61 HD22 LEU 61 -5.504 -0.072 8.673 469 HD23 LEU 61 HD23 LEU 61 -6.340 -1.604 8.421 470 H SER 62 H SER 62 -5.252 3.577 10.008 471 HA SER 62 HA SER 62 -6.955 6.018 10.152 472 HB2 SER 62 HB3 SER 62 -5.822 6.348 12.082 473 HB3 SER 62 HB2 SER 62 -4.678 5.064 11.707 474 HG SER 62 HG SER 62 -4.139 7.561 11.724 475 HA PRO 63 HA PRO 63 -5.258 7.667 6.454 476 HB2 PRO 63 HB2 PRO 63 -4.372 10.174 7.402 477 HB3 PRO 63 HB3 PRO 63 -5.978 9.805 6.751 478 HG2 PRO 63 HG3 PRO 63 -5.087 10.054 9.558 479 HG3 PRO 63 HG2 PRO 63 -6.667 10.395 8.833 480 HD2 PRO 63 HD3 PRO 63 -6.219 8.189 10.355 481 HD3 PRO 63 HD2 PRO 63 -7.372 8.189 9.000 482 H GLU 64 H GLU 64 -3.302 7.672 9.353 483 HA GLU 64 HA GLU 64 -0.798 8.351 8.094 484 HB2 GLU 64 HB3 GLU 64 -1.387 6.872 10.662 485 HB3 GLU 64 HB2 GLU 64 0.191 7.475 10.191 486 HG2 GLU 64 HG3 GLU 64 -0.752 9.765 10.082 487 HG3 GLU 64 HG2 GLU 64 -2.289 9.130 10.657 488 H HIS 65 H HIS 65 -2.632 5.405 8.496 489 HA HIS 65 HA HIS 65 -0.485 3.575 8.006 490 HB2 HIS 65 HB3 HIS 65 -2.517 2.664 8.872 491 HB3 HIS 65 HB2 HIS 65 -3.469 3.377 7.568 492 HD1 HIS 65 HD1 HIS 65 -4.223 1.500 6.105 493 HD2 HIS 65 HD2 HIS 65 -0.251 1.032 7.288 494 HE1 HIS 65 HE1 HIS 65 -3.347 -0.542 4.887 495 HE2 HIS 65 HE2 HIS 65 -0.927 -0.827 5.592 496 H PHE 66 H PHE 66 -2.240 5.725 5.991 497 HA PHE 66 HA PHE 66 -1.479 4.314 3.518 498 HB2 PHE 66 HB3 PHE 66 -2.886 6.978 3.860 499 HB3 PHE 66 HB2 PHE 66 -2.796 6.014 2.384 500 HD1 PHE 66 HD1 PHE 66 -3.971 5.882 5.929 501 HD2 PHE 66 HD2 PHE 66 -4.418 4.351 1.942 502 HE1 PHE 66 HE1 PHE 66 -5.982 4.619 6.642 503 HE2 PHE 66 HE2 PHE 66 -6.430 3.089 2.655 504 HZ PHE 66 HZ PHE 66 -7.209 3.227 5.005 505 H ARG 67 H ARG 67 0.309 5.768 5.568 506 HA ARG 67 HA ARG 67 1.474 8.083 4.553 507 HB2 ARG 67 HB3 ARG 67 3.515 7.350 5.719 508 HB3 ARG 67 HB2 ARG 67 2.091 7.016 6.696 509 HG2 ARG 67 HG3 ARG 67 2.282 4.718 5.225 510 HG3 ARG 67 HG2 ARG 67 3.980 5.142 5.423 511 HD2 ARG 67 HD3 ARG 67 3.341 5.516 7.928 512 HD3 ARG 67 HD2 ARG 67 1.924 4.547 7.537 513 HE ARG 67 HE ARG 67 4.428 3.307 6.698 514 HH11 ARG 67 HH22 ARG 67 2.147 3.841 9.226 515 HH12 ARG 67 HH21 ARG 67 2.536 2.378 10.068 516 HH21 ARG 67 HH11 ARG 67 4.944 1.388 7.779 517 HH22 ARG 67 HH12 ARG 67 4.120 0.989 9.249 518 H SER 68 H SER 68 2.012 4.724 3.485 519 HA SER 68 HA SER 68 2.988 5.701 0.918 520 HB2 SER 68 HB3 SER 68 5.056 5.980 2.090 521 HB3 SER 68 HB2 SER 68 4.888 4.423 2.891 522 HG SER 68 HG SER 68 6.059 4.955 0.587 523 H ILE 69 H ILE 69 3.318 3.927 -0.618 524 HA ILE 69 HA ILE 69 1.428 1.833 -0.414 525 HB ILE 69 HB ILE 69 3.931 1.609 -2.075 526 HG12 ILE 69 HG13 ILE 69 2.178 2.949 -3.686 527 HG13 ILE 69 HG12 ILE 69 1.854 3.707 -2.129 528 HG21 ILE 69 HG21 ILE 69 1.094 1.096 -2.913 529 HG22 ILE 69 HG22 ILE 69 1.956 -0.097 -1.941 530 HG23 ILE 69 HG23 ILE 69 2.578 0.367 -3.525 531 HD11 ILE 69 HD11 ILE 69 4.394 3.669 -3.715 532 HD12 ILE 69 HD12 ILE 69 4.480 3.807 -1.959 533 HD13 ILE 69 HD13 ILE 69 3.612 5.021 -2.897 534 H ARG 70 H ARG 70 4.887 1.917 0.303 535 HA ARG 70 HA ARG 70 5.309 -0.843 0.779 536 HB2 ARG 70 HB3 ARG 70 7.201 -0.080 2.203 537 HB3 ARG 70 HB2 ARG 70 7.142 0.786 0.667 538 HG2 ARG 70 HG3 ARG 70 5.579 2.423 2.103 539 HG3 ARG 70 HG2 ARG 70 6.530 1.761 3.426 540 HD2 ARG 70 HD3 ARG 70 7.838 2.880 0.937 541 HD3 ARG 70 HD2 ARG 70 7.420 3.903 2.310 542 HE ARG 70 HE ARG 70 8.890 1.657 3.276 543 HH11 ARG 70 HH22 ARG 70 9.206 4.493 1.341 544 HH12 ARG 70 HH21 ARG 70 10.885 4.717 1.707 545 HH21 ARG 70 HH11 ARG 70 11.080 1.933 3.765 546 HH22 ARG 70 HH12 ARG 70 11.945 3.267 3.079 547 H SER 71 H SER 71 4.113 1.715 2.934 548 HA SER 71 HA SER 71 3.998 0.104 5.298 549 HB2 SER 71 HB3 SER 71 2.597 1.856 6.191 550 HB3 SER 71 HB2 SER 71 3.835 2.617 5.199 551 HG SER 71 HG SER 71 1.918 2.090 3.550 552 H ILE 72 H ILE 72 1.692 0.664 2.656 553 HA ILE 72 HA ILE 72 -0.527 -0.664 3.867 554 HB ILE 72 HB ILE 72 0.180 -0.353 0.936 555 HG12 ILE 72 HG13 ILE 72 -1.583 1.331 2.747 556 HG13 ILE 72 HG12 ILE 72 0.037 1.784 2.214 557 HG21 ILE 72 HG21 ILE 72 -2.272 -0.623 0.622 558 HG22 ILE 72 HG22 ILE 72 -2.428 -0.981 2.342 559 HG23 ILE 72 HG23 ILE 72 -1.517 -2.068 1.293 560 HD11 ILE 72 HD11 ILE 72 -2.438 1.412 0.518 561 HD12 ILE 72 HD12 ILE 72 -0.819 1.482 -0.176 562 HD13 ILE 72 HD13 ILE 72 -1.461 2.867 0.705 563 H ASP 73 H ASP 73 2.038 -1.833 1.683 564 HA ASP 73 HA ASP 73 1.087 -4.500 1.421 565 HB2 ASP 73 HB3 ASP 73 3.026 -3.337 0.178 566 HB3 ASP 73 HB2 ASP 73 4.014 -3.771 1.570 567 H ALA 74 H ALA 74 3.208 -3.008 3.850 568 HA ALA 74 HA ALA 74 3.761 -5.434 5.278 569 HB1 ALA 74 HB1 ALA 74 4.652 -2.838 5.408 570 HB2 ALA 74 HB2 ALA 74 5.021 -4.087 6.599 571 HB3 ALA 74 HB3 ALA 74 3.686 -2.968 6.879 572 H PHE 75 H PHE 75 1.298 -2.902 5.735 573 HA PHE 75 HA PHE 75 0.149 -4.003 8.103 574 HB2 PHE 75 HB3 PHE 75 -0.325 -1.714 7.184 575 HB3 PHE 75 HB2 PHE 75 -1.308 -2.481 5.939 576 HD1 PHE 75 HD1 PHE 75 -1.023 -1.756 9.541 577 HD2 PHE 75 HD2 PHE 75 -3.433 -3.541 6.465 578 HE1 PHE 75 HE1 PHE 75 -2.938 -1.879 11.113 579 HE2 PHE 75 HE2 PHE 75 -5.348 -3.663 8.036 580 HZ PHE 75 HZ PHE 75 -5.101 -2.833 10.360 581 H VAL 76 H VAL 76 -0.700 -4.472 4.667 582 HA VAL 76 HA VAL 76 -2.872 -6.257 5.113 583 HB VAL 76 HB VAL 76 -0.924 -6.097 2.792 584 HG11 VAL 76 HG11 VAL 76 -2.035 -7.849 1.945 585 HG12 VAL 76 HG12 VAL 76 -3.529 -6.914 2.022 586 HG13 VAL 76 HG13 VAL 76 -3.050 -7.924 3.384 587 HG21 VAL 76 HG21 VAL 76 -2.072 -4.278 2.090 588 HG22 VAL 76 HG22 VAL 76 -2.731 -4.196 3.724 589 HG23 VAL 76 HG23 VAL 76 -3.626 -5.029 2.453 590 H VAL 77 H VAL 77 0.610 -6.852 4.602 591 HA VAL 77 HA VAL 77 0.415 -9.710 4.744 592 HB VAL 77 HB VAL 77 2.699 -7.785 5.252 593 HG11 VAL 77 HG11 VAL 77 2.566 -10.794 5.288 594 HG12 VAL 77 HG12 VAL 77 3.314 -9.712 6.463 595 HG13 VAL 77 HG13 VAL 77 4.060 -9.950 4.883 596 HG21 VAL 77 HG21 VAL 77 3.420 -8.446 3.038 597 HG22 VAL 77 HG22 VAL 77 1.723 -7.979 2.928 598 HG23 VAL 77 HG23 VAL 77 2.168 -9.685 2.948 599 H GLY 78 H GLY 78 1.105 -7.195 7.170 600 HA2 GLY 78 HA3 GLY 78 1.643 -8.897 9.373 601 HA3 GLY 78 HA2 GLY 78 0.979 -7.271 9.509 602 H ALA 79 H ALA 79 -1.341 -8.168 7.756 603 HA ALA 79 HA ALA 79 -3.138 -8.818 9.897 604 HB1 ALA 79 HB1 ALA 79 -4.187 -9.534 7.292 605 HB2 ALA 79 HB2 ALA 79 -3.363 -7.977 7.226 606 HB3 ALA 79 HB3 ALA 79 -4.682 -8.230 8.370 607 H THR 80 H THR 80 -1.349 -10.807 7.603 608 HA THR 80 HA THR 80 -2.542 -13.212 8.923 609 HB THR 80 HB THR 80 -2.717 -14.348 6.860 610 HG1 THR 80 HG1 THR 80 -1.447 -12.229 5.514 611 HG21 THR 80 HG21 THR 80 -4.331 -13.093 5.777 612 HG22 THR 80 HG22 THR 80 -3.376 -11.612 5.847 613 HG23 THR 80 HG23 THR 80 -4.214 -12.190 7.288 614 H THR 81 H THR 81 0.291 -11.767 7.408 615 HA THR 81 HA THR 81 1.932 -13.880 8.716 616 HB THR 81 HB THR 81 3.429 -13.168 6.539 617 HG1 THR 81 HG1 THR 81 1.712 -13.490 4.848 618 HG21 THR 81 HG21 THR 81 3.264 -15.446 7.041 619 HG22 THR 81 HG22 THR 81 2.356 -15.334 5.533 620 HG23 THR 81 HG23 THR 81 1.501 -15.406 7.074 621 HA PRO 82 HA PRO 82 4.209 -10.566 10.520 622 HB2 PRO 82 HB2 PRO 82 6.817 -11.526 10.222 623 HB3 PRO 82 HB3 PRO 82 5.712 -11.939 11.545 624 HG2 PRO 82 HG3 PRO 82 6.396 -13.472 9.103 625 HG3 PRO 82 HG2 PRO 82 6.012 -14.048 10.732 626 HD2 PRO 82 HD3 PRO 82 4.229 -14.195 8.685 627 HD3 PRO 82 HD2 PRO 82 3.721 -13.961 10.372 628 HA PRO 83 HA PRO 83 5.400 -8.218 6.874 629 HB2 PRO 83 HB2 PRO 83 6.198 -5.914 8.135 630 HB3 PRO 83 HB3 PRO 83 4.510 -6.337 7.809 631 HG2 PRO 83 HG3 PRO 83 6.047 -6.496 10.332 632 HG3 PRO 83 HG2 PRO 83 4.331 -6.150 10.071 633 HD2 PRO 83 HD3 PRO 83 5.314 -8.588 10.935 634 HD3 PRO 83 HD2 PRO 83 3.747 -8.367 10.129 635 H VAL 84 H VAL 84 7.306 -7.497 5.823 636 HA VAL 84 HA VAL 84 9.822 -8.357 7.175 637 HB VAL 84 HB VAL 84 10.783 -8.454 4.914 638 HG11 VAL 84 HG11 VAL 84 9.179 -10.278 5.958 639 HG12 VAL 84 HG12 VAL 84 9.726 -10.429 4.288 640 HG13 VAL 84 HG13 VAL 84 8.116 -9.797 4.634 641 HG21 VAL 84 HG21 VAL 84 9.762 -6.754 3.673 642 HG22 VAL 84 HG22 VAL 84 8.143 -7.189 4.222 643 HG23 VAL 84 HG23 VAL 84 8.969 -8.192 3.028 644 H GLU 85 H GLU 85 11.383 -6.853 7.638 645 HA GLU 85 HA GLU 85 12.153 -4.665 8.107 646 HB2 GLU 85 HB3 GLU 85 13.075 -5.233 5.837 647 HB3 GLU 85 HB2 GLU 85 11.694 -4.400 5.122 648 HG2 GLU 85 HG3 GLU 85 12.346 -2.333 6.357 649 HG3 GLU 85 HG2 GLU 85 13.776 -3.175 6.954 650 H ALA 86 H ALA 86 9.871 -4.376 9.152 651 HA ALA 86 HA ALA 86 7.752 -3.025 7.900 652 HB1 ALA 86 HB1 ALA 86 6.913 -2.861 10.003 653 HB2 ALA 86 HB2 ALA 86 8.344 -2.019 10.600 654 HB3 ALA 86 HB3 ALA 86 8.338 -3.779 10.489 655 H LYS 87 H LYS 87 7.263 -0.808 7.601 656 HA LYS 87 HA LYS 87 9.371 0.888 6.768 657 HB2 LYS 87 HB3 LYS 87 6.939 1.129 6.158 658 HB3 LYS 87 HB2 LYS 87 6.654 1.780 7.772 659 HG2 LYS 87 HG3 LYS 87 8.314 3.573 7.319 660 HG3 LYS 87 HG2 LYS 87 8.513 2.947 5.681 661 HD2 LYS 87 HD3 LYS 87 6.026 3.256 5.354 662 HD3 LYS 87 HD2 LYS 87 5.990 4.091 6.907 663 HE2 LYS 87 HE3 LYS 87 7.115 4.985 4.303 664 HE3 LYS 87 HE2 LYS 87 6.332 5.925 5.572 665 HZ1 LYS 87 HZ1 LYS 87 8.285 5.892 6.869 666 HZ2 LYS 87 HZ2 LYS 87 8.779 6.301 5.299 667 HZ3 LYS 87 HZ3 LYS 87 9.023 4.725 5.882 668 H LEU 88 H LEU 88 7.755 0.603 9.908 669 HA LEU 88 HA LEU 88 9.373 2.825 11.000 670 HB2 LEU 88 HB3 LEU 88 7.399 1.000 12.408 671 HB3 LEU 88 HB2 LEU 88 8.069 2.505 13.037 672 HG LEU 88 HG LEU 88 6.282 2.213 10.604 673 HD11 LEU 88 HD11 LEU 88 5.896 3.161 13.431 674 HD12 LEU 88 HD12 LEU 88 4.858 2.121 12.456 675 HD13 LEU 88 HD13 LEU 88 4.920 3.854 12.136 676 HD21 LEU 88 HD21 LEU 88 6.373 4.834 10.931 677 HD22 LEU 88 HD22 LEU 88 7.644 4.015 10.022 678 HD23 LEU 88 HD23 LEU 88 7.919 4.480 11.701 679 H GLN 89 H GLN 89 11.053 2.521 12.478 680 HA GLN 89 HA GLN 89 11.624 -0.004 13.743 681 HB2 GLN 89 HB3 GLN 89 12.228 -0.559 11.377 682 HB3 GLN 89 HB2 GLN 89 13.419 0.742 11.415 683 HG2 GLN 89 HG3 GLN 89 14.580 -0.352 13.287 684 HG3 GLN 89 HG2 GLN 89 13.378 -1.644 13.287 685 HE21 GLN 89 HE22 GLN 89 15.959 -2.489 12.884 686 HE22 GLN 89 HE21 GLN 89 16.224 -2.888 11.256 Start of MODEL 3 1 H1 SER -1 H1 SER -1 12.075 -0.639 -2.393 2 H2 SER -1 H2 SER -1 11.890 -0.289 -4.046 3 H3 SER -1 H3 SER -1 13.418 -0.165 -3.312 4 HA SER -1 HA SER -1 13.360 -2.175 -4.585 5 HB2 SER -1 HB3 SER -1 12.956 -3.284 -1.864 6 HB3 SER -1 HB2 SER -1 14.325 -3.462 -2.959 7 HG SER -1 HG SER -1 14.429 -2.051 -0.918 8 H GLU 0 H GLU 0 12.113 -3.796 -5.463 9 HA GLU 0 HA GLU 0 9.289 -3.757 -5.218 10 HB2 GLU 0 HB3 GLU 0 11.095 -6.029 -6.106 11 HB3 GLU 0 HB2 GLU 0 9.355 -5.949 -6.388 12 HG2 GLU 0 HG3 GLU 0 9.677 -3.826 -7.640 13 HG3 GLU 0 HG2 GLU 0 11.420 -3.975 -7.407 14 H MET 1 H MET 1 7.846 -4.994 -3.972 15 HA MET 1 HA MET 1 9.083 -6.463 -1.684 16 HB2 MET 1 HB3 MET 1 6.308 -5.247 -1.924 17 HB3 MET 1 HB2 MET 1 7.026 -5.950 -0.469 18 HG2 MET 1 HG3 MET 1 8.868 -4.220 -0.672 19 HG3 MET 1 HG2 MET 1 7.903 -3.455 -1.931 20 HE1 MET 1 HE1 MET 1 6.427 -5.015 1.756 21 HE2 MET 1 HE2 MET 1 7.428 -3.756 2.493 22 HE3 MET 1 HE3 MET 1 8.142 -4.910 1.369 23 H GLN 2 H GLN 2 5.897 -7.021 -1.635 24 HA GLN 2 HA GLN 2 6.109 -9.520 -3.265 25 HB2 GLN 2 HB3 GLN 2 4.406 -9.058 -0.796 26 HB3 GLN 2 HB2 GLN 2 4.598 -10.578 -1.672 27 HG2 GLN 2 HG3 GLN 2 6.801 -9.073 -0.236 28 HG3 GLN 2 HG2 GLN 2 6.032 -10.558 0.325 29 HE21 GLN 2 HE22 GLN 2 8.860 -9.659 -0.956 30 HE22 GLN 2 HE21 GLN 2 9.190 -10.972 -1.981 31 H HIS 3 H HIS 3 4.701 -9.508 -4.979 32 HA HIS 3 HA HIS 3 2.987 -8.685 -6.381 33 HB2 HIS 3 HB3 HIS 3 1.447 -8.600 -3.767 34 HB3 HIS 3 HB2 HIS 3 0.778 -8.779 -5.389 35 HD1 HIS 3 HD1 HIS 3 2.601 -10.667 -2.706 36 HD2 HIS 3 HD2 HIS 3 1.063 -11.387 -6.517 37 HE1 HIS 3 HE1 HIS 3 2.649 -13.180 -3.037 38 HE2 HIS 3 HE2 HIS 3 1.715 -13.627 -5.353 39 H ALA 4 H ALA 4 4.768 -6.751 -4.805 40 HA ALA 4 HA ALA 4 3.336 -4.475 -3.964 41 HB1 ALA 4 HB1 ALA 4 6.030 -5.137 -4.448 42 HB2 ALA 4 HB2 ALA 4 5.419 -3.667 -3.691 43 HB3 ALA 4 HB3 ALA 4 5.710 -3.708 -5.430 44 H SER 5 H SER 5 4.344 -5.445 -7.233 45 HA SER 5 HA SER 5 3.560 -3.061 -8.580 46 HB2 SER 5 HB3 SER 5 3.441 -5.896 -9.646 47 HB3 SER 5 HB2 SER 5 3.519 -4.420 -10.604 48 HG SER 5 HG SER 5 5.520 -4.111 -9.142 49 H VAL 6 H VAL 6 1.711 -5.909 -7.585 50 HA VAL 6 HA VAL 6 -0.692 -5.286 -8.999 51 HB VAL 6 HB VAL 6 -0.248 -6.781 -6.411 52 HG11 VAL 6 HG11 VAL 6 -2.704 -6.044 -7.888 53 HG12 VAL 6 HG12 VAL 6 -2.499 -6.488 -6.192 54 HG13 VAL 6 HG13 VAL 6 -2.583 -7.743 -7.429 55 HG21 VAL 6 HG21 VAL 6 -0.852 -7.809 -9.195 56 HG22 VAL 6 HG22 VAL 6 -0.381 -8.759 -7.786 57 HG23 VAL 6 HG23 VAL 6 0.782 -7.671 -8.546 58 H ILE 7 H ILE 7 0.373 -4.463 -5.705 59 HA ILE 7 HA ILE 7 -1.966 -3.040 -4.920 60 HB ILE 7 HB ILE 7 0.919 -2.504 -4.139 61 HG12 ILE 7 HG13 ILE 7 -1.149 -4.206 -2.722 62 HG13 ILE 7 HG12 ILE 7 0.058 -4.875 -3.821 63 HG21 ILE 7 HG21 ILE 7 -0.192 -1.657 -2.034 64 HG22 ILE 7 HG22 ILE 7 -1.737 -1.774 -2.875 65 HG23 ILE 7 HG23 ILE 7 -0.495 -0.668 -3.463 66 HD11 ILE 7 HD11 ILE 7 0.392 -4.321 -1.080 67 HD12 ILE 7 HD12 ILE 7 1.308 -3.075 -1.931 68 HD13 ILE 7 HD13 ILE 7 1.647 -4.780 -2.231 69 H ALA 8 H ALA 8 1.021 -1.935 -6.508 70 HA ALA 8 HA ALA 8 0.287 0.817 -6.707 71 HB1 ALA 8 HB1 ALA 8 2.190 1.048 -7.992 72 HB2 ALA 8 HB2 ALA 8 1.885 -0.435 -8.897 73 HB3 ALA 8 HB3 ALA 8 2.545 -0.519 -7.263 74 H GLN 9 H GLN 9 -0.404 -1.999 -8.720 75 HA GLN 9 HA GLN 9 -1.484 -0.643 -10.973 76 HB2 GLN 9 HB3 GLN 9 -0.990 -3.115 -10.811 77 HB3 GLN 9 HB2 GLN 9 -2.451 -3.280 -9.837 78 HG2 GLN 9 HG3 GLN 9 -3.761 -2.266 -11.710 79 HG3 GLN 9 HG2 GLN 9 -2.292 -2.254 -12.686 80 HE21 GLN 9 HE22 GLN 9 -4.977 -4.178 -11.769 81 HE22 GLN 9 HE21 GLN 9 -4.415 -5.662 -12.370 82 H PHE 10 H PHE 10 -2.958 -1.587 -7.887 83 HA PHE 10 HA PHE 10 -5.629 -0.812 -8.650 84 HB2 PHE 10 HB3 PHE 10 -4.279 -1.304 -6.007 85 HB3 PHE 10 HB2 PHE 10 -5.932 -0.701 -6.081 86 HD1 PHE 10 HD2 PHE 10 -7.655 -2.028 -7.420 87 HD2 PHE 10 HD1 PHE 10 -3.810 -3.605 -6.332 88 HE1 PHE 10 HE2 PHE 10 -8.493 -4.332 -7.795 89 HE2 PHE 10 HE1 PHE 10 -4.650 -5.908 -6.704 90 HZ PHE 10 HZ PHE 10 -6.991 -6.270 -7.432 91 H VAL 11 H VAL 11 -3.127 0.893 -6.733 92 HA VAL 11 HA VAL 11 -4.736 3.182 -6.233 93 HB VAL 11 HB VAL 11 -2.851 4.155 -5.333 94 HG11 VAL 11 HG11 VAL 11 -1.853 2.495 -4.098 95 HG12 VAL 11 HG12 VAL 11 -1.537 1.488 -5.511 96 HG13 VAL 11 HG13 VAL 11 -3.156 1.547 -4.814 97 HG21 VAL 11 HG21 VAL 11 -1.585 4.551 -7.346 98 HG22 VAL 11 HG22 VAL 11 -1.288 2.828 -7.560 99 HG23 VAL 11 HG23 VAL 11 -0.528 3.691 -6.230 100 H VAL 12 H VAL 12 -2.402 2.601 -8.903 101 HA VAL 12 HA VAL 12 -2.851 5.153 -10.123 102 HB VAL 12 HB VAL 12 -1.879 4.112 -12.150 103 HG11 VAL 12 HG11 VAL 12 -0.034 4.693 -10.971 104 HG12 VAL 12 HG12 VAL 12 0.107 2.971 -10.614 105 HG13 VAL 12 HG13 VAL 12 -0.690 4.048 -9.466 106 HG21 VAL 12 HG21 VAL 12 -1.070 1.649 -11.657 107 HG22 VAL 12 HG22 VAL 12 -2.692 1.937 -12.286 108 HG23 VAL 12 HG23 VAL 12 -2.453 1.640 -10.566 109 H GLU 13 H GLU 13 -4.349 1.943 -10.713 110 HA GLU 13 HA GLU 13 -6.077 2.865 -12.802 111 HB2 GLU 13 HB3 GLU 13 -6.272 0.547 -10.883 112 HB3 GLU 13 HB2 GLU 13 -7.432 0.819 -12.174 113 HG2 GLU 13 HG3 GLU 13 -5.595 0.779 -13.824 114 HG3 GLU 13 HG2 GLU 13 -4.455 0.446 -12.526 115 H GLU 14 H GLU 14 -6.245 3.058 -9.335 116 HA GLU 14 HA GLU 14 -9.053 3.524 -9.067 117 HB2 GLU 14 HB3 GLU 14 -7.480 3.022 -7.179 118 HB3 GLU 14 HB2 GLU 14 -6.834 4.655 -7.342 119 HG2 GLU 14 HG3 GLU 14 -9.129 5.561 -6.969 120 HG3 GLU 14 HG2 GLU 14 -9.704 3.915 -6.697 121 H PHE 15 H PHE 15 -6.378 5.668 -9.937 122 HA PHE 15 HA PHE 15 -8.411 7.740 -10.578 123 HB2 PHE 15 HB3 PHE 15 -7.536 8.270 -8.323 124 HB3 PHE 15 HB2 PHE 15 -5.898 8.301 -8.978 125 HD1 PHE 15 HD1 PHE 15 -9.263 9.888 -9.289 126 HD2 PHE 15 HD2 PHE 15 -5.049 10.233 -10.043 127 HE1 PHE 15 HE1 PHE 15 -9.580 12.250 -9.976 128 HE2 PHE 15 HE2 PHE 15 -5.365 12.594 -10.731 129 HZ PHE 15 HZ PHE 15 -7.631 13.603 -10.699 130 H LEU 16 H LEU 16 -5.109 6.527 -10.996 131 HA LEU 16 HA LEU 16 -4.960 8.104 -13.537 132 HB2 LEU 16 HB3 LEU 16 -2.968 7.552 -11.391 133 HB3 LEU 16 HB2 LEU 16 -2.383 7.613 -13.049 134 HG LEU 16 HG LEU 16 -4.229 9.773 -12.126 135 HD11 LEU 16 HD11 LEU 16 -2.057 11.017 -11.437 136 HD12 LEU 16 HD12 LEU 16 -1.358 9.406 -11.277 137 HD13 LEU 16 HD13 LEU 16 -2.747 9.867 -10.292 138 HD21 LEU 16 HD21 LEU 16 -1.713 10.108 -13.732 139 HD22 LEU 16 HD22 LEU 16 -3.233 10.995 -13.845 140 HD23 LEU 16 HD23 LEU 16 -3.118 9.357 -14.489 141 HA PRO 17 HA PRO 17 -4.774 3.581 -14.551 142 HB2 PRO 17 HB2 PRO 17 -6.542 3.665 -16.634 143 HB3 PRO 17 HB3 PRO 17 -7.029 3.438 -14.944 144 HG2 PRO 17 HG3 PRO 17 -7.196 5.845 -16.652 145 HG3 PRO 17 HG2 PRO 17 -8.255 5.311 -15.341 146 HD2 PRO 17 HD3 PRO 17 -6.319 7.305 -15.130 147 HD3 PRO 17 HD2 PRO 17 -7.049 6.441 -13.763 148 H ASP 18 H ASP 18 -4.274 6.482 -16.412 149 HA ASP 18 HA ASP 18 -3.118 5.007 -18.681 150 HB2 ASP 18 HB3 ASP 18 -2.809 7.210 -19.680 151 HB3 ASP 18 HB2 ASP 18 -4.449 7.070 -19.060 152 H VAL 19 H VAL 19 -1.978 5.337 -15.740 153 HA VAL 19 HA VAL 19 0.748 6.250 -16.559 154 HB VAL 19 HB VAL 19 -0.443 5.877 -13.792 155 HG11 VAL 19 HG11 VAL 19 2.307 6.599 -14.793 156 HG12 VAL 19 HG12 VAL 19 1.858 5.456 -13.528 157 HG13 VAL 19 HG13 VAL 19 1.739 7.191 -13.232 158 HG21 VAL 19 HG21 VAL 19 -1.302 7.844 -15.027 159 HG22 VAL 19 HG22 VAL 19 0.350 8.370 -15.333 160 HG23 VAL 19 HG23 VAL 19 -0.273 8.334 -13.684 161 H ALA 20 H ALA 20 2.405 4.784 -16.596 162 HA ALA 20 HA ALA 20 1.811 1.967 -16.400 163 HB1 ALA 20 HB1 ALA 20 4.521 2.042 -16.375 164 HB2 ALA 20 HB2 ALA 20 4.172 3.647 -17.017 165 HB3 ALA 20 HB3 ALA 20 3.563 2.213 -17.845 166 HA PRO 21 HA PRO 21 2.148 1.904 -11.864 167 HB2 PRO 21 HB2 PRO 21 2.629 -0.994 -12.327 168 HB3 PRO 21 HB3 PRO 21 1.448 -0.203 -11.268 169 HG2 PRO 21 HG3 PRO 21 0.776 -1.375 -13.597 170 HG3 PRO 21 HG2 PRO 21 -0.093 0.013 -12.925 171 HD2 PRO 21 HD3 PRO 21 1.731 -0.098 -15.259 172 HD3 PRO 21 HD2 PRO 21 0.440 1.063 -14.879 173 H ALA 22 H ALA 22 4.402 0.185 -14.006 174 HA ALA 22 HA ALA 22 6.496 -0.085 -12.038 175 HB1 ALA 22 HB1 ALA 22 7.935 -0.628 -13.929 176 HB2 ALA 22 HB2 ALA 22 6.762 0.050 -15.058 177 HB3 ALA 22 HB3 ALA 22 6.374 -1.416 -14.159 178 H ASP 23 H ASP 23 5.305 2.536 -13.909 179 HA ASP 23 HA ASP 23 7.787 4.081 -13.850 180 HB2 ASP 23 HB3 ASP 23 6.070 4.334 -15.655 181 HB3 ASP 23 HB2 ASP 23 4.971 5.018 -14.457 182 H VAL 24 H VAL 24 5.878 3.171 -11.408 183 HA VAL 24 HA VAL 24 5.839 5.843 -10.074 184 HB VAL 24 HB VAL 24 4.607 3.266 -9.079 185 HG11 VAL 24 HG11 VAL 24 4.234 6.198 -8.416 186 HG12 VAL 24 HG12 VAL 24 4.855 4.933 -7.357 187 HG13 VAL 24 HG13 VAL 24 3.159 4.925 -7.839 188 HG21 VAL 24 HG21 VAL 24 2.502 4.008 -10.061 189 HG22 VAL 24 HG22 VAL 24 3.717 3.924 -11.337 190 HG23 VAL 24 HG23 VAL 24 3.260 5.485 -10.657 191 H ASP 25 H ASP 25 7.280 6.238 -8.437 192 HA ASP 25 HA ASP 25 9.164 4.078 -7.727 193 HB2 ASP 25 HB3 ASP 25 9.950 6.420 -8.216 194 HB3 ASP 25 HB2 ASP 25 9.101 6.956 -6.766 195 H VAL 26 H VAL 26 8.699 2.789 -6.004 196 HA VAL 26 HA VAL 26 6.570 3.466 -4.149 197 HB VAL 26 HB VAL 26 7.125 1.338 -3.091 198 HG11 VAL 26 HG11 VAL 26 7.595 0.739 -5.980 199 HG12 VAL 26 HG12 VAL 26 6.111 1.586 -5.542 200 HG13 VAL 26 HG13 VAL 26 6.457 0.000 -4.854 201 HG21 VAL 26 HG21 VAL 26 9.553 1.501 -3.088 202 HG22 VAL 26 HG22 VAL 26 9.590 1.471 -4.852 203 HG23 VAL 26 HG23 VAL 26 9.089 0.037 -3.955 204 H ASP 27 H ASP 27 9.601 4.689 -4.378 205 HA ASP 27 HA ASP 27 10.297 4.590 -1.522 206 HB2 ASP 27 HB3 ASP 27 11.516 6.049 -3.886 207 HB3 ASP 27 HB2 ASP 27 12.158 6.116 -2.248 208 H LEU 28 H LEU 28 8.463 6.554 -3.664 209 HA LEU 28 HA LEU 28 8.596 8.928 -1.913 210 HB2 LEU 28 HB3 LEU 28 8.456 9.183 -4.387 211 HB3 LEU 28 HB2 LEU 28 6.884 8.391 -4.362 212 HG LEU 28 HG LEU 28 6.077 10.176 -2.789 213 HD11 LEU 28 HD11 LEU 28 7.829 11.229 -1.751 214 HD12 LEU 28 HD12 LEU 28 7.711 12.304 -3.143 215 HD13 LEU 28 HD13 LEU 28 8.911 11.014 -3.126 216 HD21 LEU 28 HD21 LEU 28 5.723 10.269 -5.268 217 HD22 LEU 28 HD22 LEU 28 7.195 11.231 -5.405 218 HD23 LEU 28 HD23 LEU 28 5.805 11.865 -4.524 219 H ASP 29 H ASP 29 7.046 9.379 -0.374 220 HA ASP 29 HA ASP 29 5.285 7.324 0.489 221 HB2 ASP 29 HB3 ASP 29 5.213 10.311 1.020 222 HB3 ASP 29 HB2 ASP 29 4.216 9.132 1.873 223 H LEU 30 H LEU 30 3.216 6.833 -0.069 224 HA LEU 30 HA LEU 30 2.124 7.747 -2.530 225 HB2 LEU 30 HB3 LEU 30 1.617 5.550 -1.429 226 HB3 LEU 30 HB2 LEU 30 0.636 6.418 -0.250 227 HG LEU 30 HG LEU 30 -0.762 7.311 -2.102 228 HD11 LEU 30 HD11 LEU 30 -0.321 5.739 -4.267 229 HD12 LEU 30 HD12 LEU 30 1.332 5.913 -3.676 230 HD13 LEU 30 HD13 LEU 30 0.386 7.344 -4.085 231 HD21 LEU 30 HD21 LEU 30 -0.781 4.395 -2.644 232 HD22 LEU 30 HD22 LEU 30 -2.085 5.443 -2.087 233 HD23 LEU 30 HD23 LEU 30 -0.881 4.849 -0.944 234 H VAL 31 H VAL 31 1.500 8.737 0.814 235 HA VAL 31 HA VAL 31 -0.801 10.335 0.247 236 HB VAL 31 HB VAL 31 1.265 10.548 2.444 237 HG11 VAL 31 HG11 VAL 31 0.386 12.637 2.688 238 HG12 VAL 31 HG12 VAL 31 -1.000 11.781 3.363 239 HG13 VAL 31 HG13 VAL 31 -1.005 12.271 1.667 240 HG21 VAL 31 HG21 VAL 31 -1.612 9.629 2.583 241 HG22 VAL 31 HG22 VAL 31 -0.320 9.347 3.751 242 HG23 VAL 31 HG23 VAL 31 -0.302 8.513 2.196 243 H ASP 32 H ASP 32 2.661 11.070 0.094 244 HA ASP 32 HA ASP 32 2.528 13.874 -0.134 245 HB2 ASP 32 HB3 ASP 32 4.322 11.901 -1.585 246 HB3 ASP 32 HB2 ASP 32 4.569 13.647 -1.605 247 H ASN 33 H ASN 33 1.764 11.354 -2.447 248 HA ASN 33 HA ASN 33 1.444 13.085 -4.733 249 HB2 ASN 33 HB3 ASN 33 0.383 10.339 -4.077 250 HB3 ASN 33 HB2 ASN 33 0.155 11.116 -5.637 251 HD21 ASN 33 HD22 ASN 33 1.644 8.687 -5.429 252 HD22 ASN 33 HD21 ASN 33 3.275 9.019 -5.769 253 H GLY 34 H GLY 34 -0.704 11.950 -2.169 254 HA2 GLY 34 HA3 GLY 34 -2.716 13.019 -1.454 255 HA3 GLY 34 HA2 GLY 34 -2.643 14.053 -2.884 256 H VAL 35 H VAL 35 -2.061 10.918 -3.817 257 HA VAL 35 HA VAL 35 -4.479 10.674 -5.315 258 HB VAL 35 HB VAL 35 -2.457 8.582 -4.457 259 HG11 VAL 35 HG11 VAL 35 -3.641 7.641 -6.741 260 HG12 VAL 35 HG12 VAL 35 -5.012 8.391 -5.925 261 HG13 VAL 35 HG13 VAL 35 -4.084 7.131 -5.112 262 HG21 VAL 35 HG21 VAL 35 -2.047 10.674 -6.108 263 HG22 VAL 35 HG22 VAL 35 -2.760 9.544 -7.259 264 HG23 VAL 35 HG23 VAL 35 -1.300 9.099 -6.376 265 H ILE 36 H ILE 36 -3.551 9.582 -2.095 266 HA ILE 36 HA ILE 36 -5.997 7.992 -1.778 267 HB ILE 36 HB ILE 36 -3.932 8.839 0.277 268 HG12 ILE 36 HG13 ILE 36 -4.232 6.201 -1.182 269 HG13 ILE 36 HG12 ILE 36 -3.088 7.453 -1.647 270 HG21 ILE 36 HG21 ILE 36 -4.884 6.745 1.414 271 HG22 ILE 36 HG22 ILE 36 -6.229 6.883 0.284 272 HG23 ILE 36 HG23 ILE 36 -5.903 8.183 1.431 273 HD11 ILE 36 HD11 ILE 36 -1.641 6.806 -0.047 274 HD12 ILE 36 HD12 ILE 36 -2.709 5.444 0.295 275 HD13 ILE 36 HD13 ILE 36 -2.893 6.955 1.187 276 H ASP 37 H ASP 37 -7.878 9.017 -1.470 277 HA ASP 37 HA ASP 37 -7.911 11.554 0.094 278 HB2 ASP 37 HB3 ASP 37 -9.772 10.482 -2.045 279 HB3 ASP 37 HB2 ASP 37 -10.116 11.911 -1.078 280 H ALA 38 H ALA 38 -10.363 11.734 1.037 281 HA ALA 38 HA ALA 38 -10.559 9.789 3.105 282 HB1 ALA 38 HB1 ALA 38 -12.707 11.609 1.968 283 HB2 ALA 38 HB2 ALA 38 -11.625 11.992 3.307 284 HB3 ALA 38 HB3 ALA 38 -12.838 10.725 3.488 285 H LEU 39 H LEU 39 -12.510 10.183 0.148 286 HA LEU 39 HA LEU 39 -13.861 7.642 0.472 287 HB2 LEU 39 HB3 LEU 39 -13.451 9.264 -2.054 288 HB3 LEU 39 HB2 LEU 39 -14.670 8.024 -1.796 289 HG LEU 39 HG LEU 39 -14.464 10.682 -0.377 290 HD11 LEU 39 HD11 LEU 39 -15.581 10.139 -2.795 291 HD12 LEU 39 HD12 LEU 39 -16.185 11.385 -1.703 292 HD13 LEU 39 HD13 LEU 39 -16.943 9.793 -1.729 293 HD21 LEU 39 HD21 LEU 39 -16.073 8.204 0.181 294 HD22 LEU 39 HD22 LEU 39 -16.742 9.789 0.570 295 HD23 LEU 39 HD23 LEU 39 -15.234 9.259 1.317 296 H GLY 40 H GLY 40 -10.955 8.836 -1.043 297 HA2 GLY 40 HA3 GLY 40 -10.286 6.584 -2.632 298 HA3 GLY 40 HA2 GLY 40 -9.117 7.714 -1.939 299 H LEU 41 H LEU 41 -9.709 7.323 0.787 300 HA LEU 41 HA LEU 41 -8.155 4.988 1.374 301 HB2 LEU 41 HB3 LEU 41 -8.159 6.823 2.939 302 HB3 LEU 41 HB2 LEU 41 -9.915 6.751 3.096 303 HG LEU 41 HG LEU 41 -8.558 4.204 3.673 304 HD11 LEU 41 HD11 LEU 41 -6.853 5.515 4.683 305 HD12 LEU 41 HD12 LEU 41 -7.943 5.106 6.008 306 HD13 LEU 41 HD13 LEU 41 -8.011 6.708 5.273 307 HD21 LEU 41 HD21 LEU 41 -10.187 4.151 5.455 308 HD22 LEU 41 HD22 LEU 41 -11.001 4.808 4.034 309 HD23 LEU 41 HD23 LEU 41 -10.466 5.886 5.322 310 H LEU 42 H LEU 42 -11.633 5.687 1.598 311 HA LEU 42 HA LEU 42 -12.421 3.185 2.685 312 HB2 LEU 42 HB3 LEU 42 -14.031 4.951 2.640 313 HB3 LEU 42 HB2 LEU 42 -13.851 5.163 0.899 314 HG LEU 42 HG LEU 42 -14.871 2.998 0.478 315 HD11 LEU 42 HD11 LEU 42 -14.291 1.521 2.148 316 HD12 LEU 42 HD12 LEU 42 -15.918 1.937 2.684 317 HD13 LEU 42 HD13 LEU 42 -14.520 2.713 3.429 318 HD21 LEU 42 HD21 LEU 42 -17.030 3.522 2.103 319 HD22 LEU 42 HD22 LEU 42 -16.721 4.300 0.550 320 HD23 LEU 42 HD23 LEU 42 -16.219 5.086 2.046 321 H LYS 43 H LYS 43 -12.074 4.214 -0.708 322 HA LYS 43 HA LYS 43 -12.947 1.754 -1.838 323 HB2 LYS 43 HB3 LYS 43 -10.986 3.803 -2.888 324 HB3 LYS 43 HB2 LYS 43 -11.653 2.489 -3.849 325 HG2 LYS 43 HG3 LYS 43 -13.945 3.344 -3.360 326 HG3 LYS 43 HG2 LYS 43 -13.221 4.712 -2.515 327 HD2 LYS 43 HD3 LYS 43 -11.991 5.298 -4.616 328 HD3 LYS 43 HD2 LYS 43 -12.867 4.009 -5.442 329 HE2 LYS 43 HE3 LYS 43 -14.376 5.652 -5.900 330 HE3 LYS 43 HE2 LYS 43 -14.927 5.348 -4.253 331 HZ1 LYS 43 HZ1 LYS 43 -12.799 7.031 -3.960 332 HZ2 LYS 43 HZ2 LYS 43 -14.436 7.463 -3.858 333 HZ3 LYS 43 HZ3 LYS 43 -13.603 7.637 -5.328 334 H VAL 44 H VAL 44 -9.813 2.806 -0.619 335 HA VAL 44 HA VAL 44 -8.220 0.691 -1.644 336 HB VAL 44 HB VAL 44 -7.958 2.323 0.887 337 HG11 VAL 44 HG11 VAL 44 -6.311 0.108 -0.252 338 HG12 VAL 44 HG12 VAL 44 -6.559 0.572 1.432 339 HG13 VAL 44 HG13 VAL 44 -5.454 1.497 0.417 340 HG21 VAL 44 HG21 VAL 44 -6.740 3.813 -0.374 341 HG22 VAL 44 HG22 VAL 44 -7.767 3.182 -1.660 342 HG23 VAL 44 HG23 VAL 44 -6.129 2.561 -1.454 343 H ILE 45 H ILE 45 -9.908 0.970 1.481 344 HA ILE 45 HA ILE 45 -9.169 -1.645 2.397 345 HB ILE 45 HB ILE 45 -11.364 0.283 3.161 346 HG12 ILE 45 HG13 ILE 45 -9.898 0.133 5.337 347 HG13 ILE 45 HG12 ILE 45 -8.663 -0.494 4.249 348 HG21 ILE 45 HG21 ILE 45 -10.780 -2.493 4.154 349 HG22 ILE 45 HG22 ILE 45 -12.331 -1.780 3.716 350 HG23 ILE 45 HG23 ILE 45 -11.524 -1.290 5.206 351 HD11 ILE 45 HD11 ILE 45 -10.151 2.106 3.796 352 HD12 ILE 45 HD12 ILE 45 -8.771 1.500 2.880 353 HD13 ILE 45 HD13 ILE 45 -8.565 1.998 4.558 354 H ALA 46 H ALA 46 -11.889 -0.472 0.461 355 HA ALA 46 HA ALA 46 -13.523 -2.804 0.754 356 HB1 ALA 46 HB1 ALA 46 -14.892 -1.846 -0.845 357 HB2 ALA 46 HB2 ALA 46 -13.533 -1.240 -1.794 358 HB3 ALA 46 HB3 ALA 46 -13.998 -0.426 -0.300 359 H TRP 47 H TRP 47 -11.249 -1.929 -1.898 360 HA TRP 47 HA TRP 47 -11.624 -4.580 -3.098 361 HB2 TRP 47 HB3 TRP 47 -10.863 -3.501 -4.918 362 HB3 TRP 47 HB2 TRP 47 -10.529 -2.072 -3.937 363 HD1 TRP 47 HD1 TRP 47 -8.853 -5.467 -4.771 364 HE1 TRP 47 HE1 TRP 47 -6.297 -5.115 -4.743 365 HE3 TRP 47 HE3 TRP 47 -8.665 -0.574 -3.406 366 HZ2 TRP 47 HZ2 TRP 47 -4.420 -3.021 -4.207 367 HZ3 TRP 47 HZ3 TRP 47 -6.489 0.590 -3.139 368 HH2 TRP 47 HH2 TRP 47 -4.367 -0.629 -3.541 369 H LEU 48 H LEU 48 -9.013 -2.901 -1.356 370 HA LEU 48 HA LEU 48 -7.098 -4.975 -1.511 371 HB2 LEU 48 HB3 LEU 48 -6.668 -2.659 -0.656 372 HB3 LEU 48 HB2 LEU 48 -7.536 -3.082 0.817 373 HG LEU 48 HG LEU 48 -5.930 -4.970 1.149 374 HD11 LEU 48 HD11 LEU 48 -4.996 -3.957 -1.460 375 HD12 LEU 48 HD12 LEU 48 -4.817 -5.558 -0.745 376 HD13 LEU 48 HD13 LEU 48 -3.710 -4.262 -0.293 377 HD21 LEU 48 HD21 LEU 48 -3.995 -2.841 1.068 378 HD22 LEU 48 HD22 LEU 48 -4.838 -3.506 2.468 379 HD23 LEU 48 HD23 LEU 48 -5.561 -2.185 1.550 380 H GLU 49 H GLU 49 -9.696 -4.445 0.886 381 HA GLU 49 HA GLU 49 -8.945 -6.753 2.461 382 HB2 GLU 49 HB3 GLU 49 -10.881 -6.321 3.739 383 HB3 GLU 49 HB2 GLU 49 -10.356 -4.729 3.213 384 HG2 GLU 49 HG3 GLU 49 -12.617 -4.649 2.680 385 HG3 GLU 49 HG2 GLU 49 -11.934 -5.232 1.166 386 H ASP 50 H ASP 50 -11.193 -6.181 -0.210 387 HA ASP 50 HA ASP 50 -12.592 -8.651 -0.097 388 HB2 ASP 50 HB3 ASP 50 -13.160 -6.671 -1.546 389 HB3 ASP 50 HB2 ASP 50 -11.831 -7.149 -2.601 390 H ARG 51 H ARG 51 -9.494 -7.823 -1.606 391 HA ARG 51 HA ARG 51 -9.120 -10.237 -3.043 392 HB2 ARG 51 HB3 ARG 51 -7.131 -8.332 -1.820 393 HB3 ARG 51 HB2 ARG 51 -6.679 -9.659 -2.885 394 HG2 ARG 51 HG3 ARG 51 -8.193 -8.738 -4.631 395 HG3 ARG 51 HG2 ARG 51 -8.545 -7.374 -3.569 396 HD2 ARG 51 HD3 ARG 51 -6.797 -6.755 -5.172 397 HD3 ARG 51 HD2 ARG 51 -6.129 -6.799 -3.540 398 HE ARG 51 HE ARG 51 -4.764 -8.602 -4.216 399 HH11 ARG 51 HH22 ARG 51 -7.405 -8.092 -6.374 400 HH12 ARG 51 HH21 ARG 51 -6.849 -9.247 -7.538 401 HH21 ARG 51 HH11 ARG 51 -4.023 -10.113 -5.722 402 HH22 ARG 51 HH12 ARG 51 -4.935 -10.392 -7.169 403 H PHE 52 H PHE 52 -8.350 -9.466 0.359 404 HA PHE 52 HA PHE 52 -7.320 -12.234 0.666 405 HB2 PHE 52 HB3 PHE 52 -7.209 -9.789 2.448 406 HB3 PHE 52 HB2 PHE 52 -6.658 -11.383 2.955 407 HD1 PHE 52 HD1 PHE 52 -4.744 -12.482 1.829 408 HD2 PHE 52 HD2 PHE 52 -5.974 -8.490 0.823 409 HE1 PHE 52 HE1 PHE 52 -2.590 -12.113 0.659 410 HE2 PHE 52 HE2 PHE 52 -3.817 -8.123 -0.347 411 HZ PHE 52 HZ PHE 52 -2.125 -9.934 -0.429 412 H GLY 53 H GLY 53 -10.188 -10.479 1.089 413 HA2 GLY 53 HA3 GLY 53 -12.244 -11.160 2.002 414 HA3 GLY 53 HA2 GLY 53 -11.514 -12.742 2.296 415 H ILE 54 H ILE 54 -10.178 -9.709 3.475 416 HA ILE 54 HA ILE 54 -10.571 -10.744 6.235 417 HB ILE 54 HB ILE 54 -8.771 -9.151 6.839 418 HG12 ILE 54 HG13 ILE 54 -8.706 -8.584 3.855 419 HG13 ILE 54 HG12 ILE 54 -9.334 -7.471 5.070 420 HG21 ILE 54 HG21 ILE 54 -8.277 -11.041 4.526 421 HG22 ILE 54 HG22 ILE 54 -8.057 -11.364 6.245 422 HG23 ILE 54 HG23 ILE 54 -6.970 -10.255 5.410 423 HD11 ILE 54 HD11 ILE 54 -7.150 -7.358 6.150 424 HD12 ILE 54 HD12 ILE 54 -6.979 -6.964 4.439 425 HD13 ILE 54 HD13 ILE 54 -6.507 -8.558 5.028 426 H ALA 55 H ALA 55 -11.446 -9.376 7.866 427 HA ALA 55 HA ALA 55 -13.219 -7.255 6.797 428 HB1 ALA 55 HB1 ALA 55 -14.448 -8.657 8.212 429 HB2 ALA 55 HB2 ALA 55 -14.012 -7.334 9.294 430 HB3 ALA 55 HB3 ALA 55 -13.111 -8.849 9.345 431 H ALA 56 H ALA 56 -12.527 -5.183 6.889 432 HA ALA 56 HA ALA 56 -10.141 -4.394 8.278 433 HB1 ALA 56 HB1 ALA 56 -10.828 -3.144 6.338 434 HB2 ALA 56 HB2 ALA 56 -10.936 -2.058 7.722 435 HB3 ALA 56 HB3 ALA 56 -12.398 -2.787 7.057 436 H ASP 57 H ASP 57 -13.534 -4.435 9.143 437 HA ASP 57 HA ASP 57 -13.556 -2.612 11.294 438 HB2 ASP 57 HB3 ASP 57 -15.546 -3.817 10.320 439 HB3 ASP 57 HB2 ASP 57 -15.039 -5.238 11.231 440 H ASP 58 H ASP 58 -12.415 -5.958 11.189 441 HA ASP 58 HA ASP 58 -12.173 -6.465 13.945 442 HB2 ASP 58 HB3 ASP 58 -10.365 -7.281 11.668 443 HB3 ASP 58 HB2 ASP 58 -10.235 -7.937 13.298 444 H VAL 59 H VAL 59 -10.014 -4.647 11.806 445 HA VAL 59 HA VAL 59 -8.616 -3.637 14.248 446 HB VAL 59 HB VAL 59 -7.363 -4.158 11.547 447 HG11 VAL 59 HG11 VAL 59 -6.559 -2.659 13.920 448 HG12 VAL 59 HG12 VAL 59 -5.834 -2.681 12.312 449 HG13 VAL 59 HG13 VAL 59 -5.392 -3.913 13.496 450 HG21 VAL 59 HG21 VAL 59 -7.452 -5.724 14.116 451 HG22 VAL 59 HG22 VAL 59 -6.051 -5.851 13.053 452 HG23 VAL 59 HG23 VAL 59 -7.650 -6.302 12.461 453 H GLU 60 H GLU 60 -8.422 -1.411 14.348 454 HA GLU 60 HA GLU 60 -9.797 0.130 12.247 455 HB2 GLU 60 HB3 GLU 60 -10.111 0.625 14.691 456 HB3 GLU 60 HB2 GLU 60 -8.427 1.130 14.761 457 HG2 GLU 60 HG3 GLU 60 -8.893 2.809 12.993 458 HG3 GLU 60 HG2 GLU 60 -10.590 2.348 13.041 459 H LEU 61 H LEU 61 -8.717 1.159 10.619 460 HA LEU 61 HA LEU 61 -5.761 1.131 10.705 461 HB2 LEU 61 HB3 LEU 61 -7.624 1.756 8.399 462 HB3 LEU 61 HB2 LEU 61 -5.892 1.475 8.305 463 HG LEU 61 HG LEU 61 -7.975 -0.529 9.178 464 HD11 LEU 61 HD11 LEU 61 -6.627 -1.649 7.104 465 HD12 LEU 61 HD12 LEU 61 -6.555 0.051 6.644 466 HD13 LEU 61 HD13 LEU 61 -8.116 -0.725 6.906 467 HD21 LEU 61 HD21 LEU 61 -4.979 -0.497 9.285 468 HD22 LEU 61 HD22 LEU 61 -5.800 -2.023 8.953 469 HD23 LEU 61 HD23 LEU 61 -6.129 -1.151 10.451 470 H SER 62 H SER 62 -4.554 3.018 10.587 471 HA SER 62 HA SER 62 -6.074 5.552 10.894 472 HB2 SER 62 HB3 SER 62 -4.101 4.502 12.476 473 HB3 SER 62 HB2 SER 62 -3.167 5.532 11.402 474 HG SER 62 HG SER 62 -4.505 6.279 13.493 475 HA PRO 63 HA PRO 63 -4.828 6.957 6.903 476 HB2 PRO 63 HB2 PRO 63 -3.880 9.522 7.602 477 HB3 PRO 63 HB3 PRO 63 -5.538 9.102 7.140 478 HG2 PRO 63 HG3 PRO 63 -4.370 9.524 9.822 479 HG3 PRO 63 HG2 PRO 63 -6.018 9.817 9.242 480 HD2 PRO 63 HD3 PRO 63 -5.405 7.716 10.838 481 HD3 PRO 63 HD2 PRO 63 -6.682 7.621 9.604 482 H GLU 64 H GLU 64 -2.572 7.059 9.560 483 HA GLU 64 HA GLU 64 -0.224 7.759 8.049 484 HB2 GLU 64 HB3 GLU 64 -0.526 6.251 10.650 485 HB3 GLU 64 HB2 GLU 64 0.990 6.874 10.022 486 HG2 GLU 64 HG3 GLU 64 0.025 9.156 10.037 487 HG3 GLU 64 HG2 GLU 64 -1.441 8.502 10.759 488 H HIS 65 H HIS 65 -1.964 4.791 8.633 489 HA HIS 65 HA HIS 65 0.129 2.985 7.896 490 HB2 HIS 65 HB3 HIS 65 -1.784 2.062 8.987 491 HB3 HIS 65 HB2 HIS 65 -2.882 2.770 7.800 492 HD1 HIS 65 HD1 HIS 65 -3.833 0.587 6.869 493 HD2 HIS 65 HD2 HIS 65 0.333 0.733 6.729 494 HE1 HIS 65 HE1 HIS 65 -3.093 -1.384 5.457 495 HE2 HIS 65 HE2 HIS 65 -0.560 -1.304 5.369 496 H PHE 66 H PHE 66 -1.884 5.106 6.083 497 HA PHE 66 HA PHE 66 -1.291 3.687 3.560 498 HB2 PHE 66 HB3 PHE 66 -2.895 6.227 3.920 499 HB3 PHE 66 HB2 PHE 66 -2.912 5.135 2.538 500 HD1 PHE 66 HD1 PHE 66 -3.588 5.208 6.217 501 HD2 PHE 66 HD2 PHE 66 -4.490 3.401 2.428 502 HE1 PHE 66 HE1 PHE 66 -5.410 3.904 7.275 503 HE2 PHE 66 HE2 PHE 66 -6.312 2.093 3.490 504 HZ PHE 66 HZ PHE 66 -6.768 2.352 5.915 505 H ARG 67 H ARG 67 0.542 5.393 5.378 506 HA ARG 67 HA ARG 67 1.308 7.772 4.101 507 HB2 ARG 67 HB3 ARG 67 3.446 7.459 5.221 508 HB3 ARG 67 HB2 ARG 67 2.150 6.922 6.287 509 HG2 ARG 67 HG3 ARG 67 2.665 4.621 4.934 510 HG3 ARG 67 HG2 ARG 67 4.267 5.347 4.938 511 HD2 ARG 67 HD3 ARG 67 3.540 5.750 7.534 512 HD3 ARG 67 HD2 ARG 67 2.672 4.256 7.178 513 HE ARG 67 HE ARG 67 4.749 3.142 7.020 514 HH11 ARG 67 HH22 ARG 67 5.075 6.573 6.992 515 HH12 ARG 67 HH21 ARG 67 6.802 6.545 7.135 516 HH21 ARG 67 HH11 ARG 67 7.004 3.086 7.209 517 HH22 ARG 67 HH12 ARG 67 7.892 4.571 7.259 518 H SER 68 H SER 68 2.152 4.410 3.275 519 HA SER 68 HA SER 68 2.938 5.306 0.601 520 HB2 SER 68 HB3 SER 68 5.200 4.432 0.670 521 HB3 SER 68 HB2 SER 68 5.023 5.608 1.967 522 HG SER 68 HG SER 68 4.696 2.798 2.237 523 H ILE 69 H ILE 69 3.340 3.479 -0.844 524 HA ILE 69 HA ILE 69 1.494 1.356 -0.543 525 HB ILE 69 HB ILE 69 4.004 1.321 -2.234 526 HG12 ILE 69 HG13 ILE 69 1.936 2.208 -3.837 527 HG13 ILE 69 HG12 ILE 69 1.638 3.057 -2.321 528 HG21 ILE 69 HG21 ILE 69 1.815 -0.455 -1.898 529 HG22 ILE 69 HG22 ILE 69 3.113 -0.553 -3.088 530 HG23 ILE 69 HG23 ILE 69 1.626 0.312 -3.474 531 HD11 ILE 69 HD11 ILE 69 4.185 3.586 -2.380 532 HD12 ILE 69 HD12 ILE 69 3.114 4.498 -3.444 533 HD13 ILE 69 HD13 ILE 69 4.071 3.164 -4.089 534 H ARG 70 H ARG 70 4.893 1.686 0.274 535 HA ARG 70 HA ARG 70 5.591 -1.004 0.752 536 HB2 ARG 70 HB3 ARG 70 6.432 1.459 2.307 537 HB3 ARG 70 HB2 ARG 70 7.296 -0.077 2.268 538 HG2 ARG 70 HG3 ARG 70 7.929 0.201 0.019 539 HG3 ARG 70 HG2 ARG 70 6.683 1.418 -0.274 540 HD2 ARG 70 HD3 ARG 70 8.884 2.490 -0.081 541 HD3 ARG 70 HD2 ARG 70 7.854 2.973 1.263 542 HE ARG 70 HE ARG 70 9.288 1.781 2.727 543 HH11 ARG 70 HH22 ARG 70 9.877 1.068 -0.594 544 HH12 ARG 70 HH21 ARG 70 11.337 0.188 -0.284 545 HH21 ARG 70 HH11 ARG 70 11.192 0.636 3.151 546 HH22 ARG 70 HH12 ARG 70 12.080 -0.056 1.835 547 H SER 71 H SER 71 4.047 1.354 2.933 548 HA SER 71 HA SER 71 3.961 -0.415 5.199 549 HB2 SER 71 HB3 SER 71 2.508 1.229 6.184 550 HB3 SER 71 HB2 SER 71 3.723 2.098 5.258 551 HG SER 71 HG SER 71 1.462 1.352 3.857 552 H ILE 72 H ILE 72 1.720 0.221 2.526 553 HA ILE 72 HA ILE 72 -0.495 -1.211 3.621 554 HB ILE 72 HB ILE 72 0.237 -0.780 0.713 555 HG12 ILE 72 HG13 ILE 72 -1.420 0.912 2.615 556 HG13 ILE 72 HG12 ILE 72 0.180 1.330 2.001 557 HG21 ILE 72 HG21 ILE 72 -2.168 -1.028 0.337 558 HG22 ILE 72 HG22 ILE 72 -2.428 -1.269 2.065 559 HG23 ILE 72 HG23 ILE 72 -1.532 -2.466 1.133 560 HD11 ILE 72 HD11 ILE 72 -0.772 1.152 -0.336 561 HD12 ILE 72 HD12 ILE 72 -1.430 2.478 0.623 562 HD13 ILE 72 HD13 ILE 72 -2.368 1.001 0.398 563 H ASP 73 H ASP 73 2.055 -2.225 1.328 564 HA ASP 73 HA ASP 73 1.146 -4.902 1.004 565 HB2 ASP 73 HB3 ASP 73 2.988 -3.672 -0.295 566 HB3 ASP 73 HB2 ASP 73 4.056 -4.084 1.043 567 H ALA 74 H ALA 74 3.390 -3.473 3.357 568 HA ALA 74 HA ALA 74 4.034 -5.937 4.671 569 HB1 ALA 74 HB1 ALA 74 4.295 -3.950 6.590 570 HB2 ALA 74 HB2 ALA 74 4.502 -3.081 5.069 571 HB3 ALA 74 HB3 ALA 74 5.547 -4.450 5.450 572 H PHE 75 H PHE 75 1.603 -3.432 5.359 573 HA PHE 75 HA PHE 75 0.622 -4.610 7.765 574 HB2 PHE 75 HB3 PHE 75 0.100 -2.296 6.991 575 HB3 PHE 75 HB2 PHE 75 -0.942 -2.989 5.751 576 HD1 PHE 75 HD1 PHE 75 -0.432 -2.676 9.416 577 HD2 PHE 75 HD2 PHE 75 -3.122 -3.828 6.271 578 HE1 PHE 75 HE1 PHE 75 -2.281 -2.852 11.060 579 HE2 PHE 75 HE2 PHE 75 -4.970 -4.003 7.915 580 HZ PHE 75 HZ PHE 75 -4.549 -3.515 10.309 581 H VAL 76 H VAL 76 -0.439 -4.999 4.377 582 HA VAL 76 HA VAL 76 -2.580 -6.801 4.959 583 HB VAL 76 HB VAL 76 -0.880 -6.511 2.463 584 HG11 VAL 76 HG11 VAL 76 -2.048 -8.252 1.665 585 HG12 VAL 76 HG12 VAL 76 -3.533 -7.334 1.910 586 HG13 VAL 76 HG13 VAL 76 -2.929 -8.389 3.185 587 HG21 VAL 76 HG21 VAL 76 -3.623 -5.473 2.473 588 HG22 VAL 76 HG22 VAL 76 -2.131 -4.689 1.951 589 HG23 VAL 76 HG23 VAL 76 -2.586 -4.673 3.655 590 H VAL 77 H VAL 77 0.826 -7.396 3.996 591 HA VAL 77 HA VAL 77 0.576 -10.263 4.122 592 HB VAL 77 HB VAL 77 2.956 -8.394 4.219 593 HG11 VAL 77 HG11 VAL 77 2.731 -11.343 4.543 594 HG12 VAL 77 HG12 VAL 77 3.936 -10.228 5.185 595 HG13 VAL 77 HG13 VAL 77 4.025 -10.749 3.503 596 HG21 VAL 77 HG21 VAL 77 1.385 -8.830 2.127 597 HG22 VAL 77 HG22 VAL 77 2.309 -10.328 2.019 598 HG23 VAL 77 HG23 VAL 77 3.137 -8.774 1.931 599 H GLY 78 H GLY 78 1.850 -7.826 6.381 600 HA2 GLY 78 HA3 GLY 78 2.608 -9.660 8.433 601 HA3 GLY 78 HA2 GLY 78 2.281 -7.947 8.676 602 H ALA 79 H ALA 79 -0.481 -8.181 7.622 603 HA ALA 79 HA ALA 79 -1.794 -8.740 10.109 604 HB1 ALA 79 HB1 ALA 79 -3.032 -7.251 8.859 605 HB2 ALA 79 HB2 ALA 79 -3.866 -8.744 8.425 606 HB3 ALA 79 HB3 ALA 79 -2.660 -8.060 7.336 607 H THR 80 H THR 80 -1.454 -10.641 7.122 608 HA THR 80 HA THR 80 -3.110 -12.801 8.219 609 HB THR 80 HB THR 80 -2.644 -13.949 6.119 610 HG1 THR 80 HG1 THR 80 -0.871 -13.540 5.105 611 HG21 THR 80 HG21 THR 80 -4.059 -11.647 6.361 612 HG22 THR 80 HG22 THR 80 -3.960 -12.573 4.864 613 HG23 THR 80 HG23 THR 80 -2.910 -11.178 5.108 614 H THR 81 H THR 81 0.281 -12.012 7.931 615 HA THR 81 HA THR 81 0.897 -14.498 9.437 616 HB THR 81 HB THR 81 3.178 -14.112 8.027 617 HG1 THR 81 HG1 THR 81 2.077 -12.424 6.856 618 HG21 THR 81 HG21 THR 81 0.711 -15.677 7.251 619 HG22 THR 81 HG22 THR 81 2.076 -16.250 8.209 620 HG23 THR 81 HG23 THR 81 2.287 -15.904 6.492 621 HA PRO 82 HA PRO 82 3.015 -11.877 12.284 622 HB2 PRO 82 HB2 PRO 82 5.298 -13.400 12.766 623 HB3 PRO 82 HB3 PRO 82 3.732 -13.621 13.568 624 HG2 PRO 82 HG3 PRO 82 4.935 -15.130 11.315 625 HG3 PRO 82 HG2 PRO 82 3.900 -15.697 12.636 626 HD2 PRO 82 HD3 PRO 82 2.952 -15.325 10.116 627 HD3 PRO 82 HD2 PRO 82 1.943 -15.071 11.558 628 HA PRO 83 HA PRO 83 5.866 -10.058 9.213 629 HB2 PRO 83 HB2 PRO 83 5.748 -7.492 10.131 630 HB3 PRO 83 HB3 PRO 83 4.528 -8.212 9.068 631 HG2 PRO 83 HG3 PRO 83 4.424 -7.671 11.972 632 HG3 PRO 83 HG2 PRO 83 3.124 -7.661 10.773 633 HD2 PRO 83 HD3 PRO 83 3.622 -9.722 12.588 634 HD3 PRO 83 HD2 PRO 83 2.648 -9.873 11.110 635 H VAL 84 H VAL 84 8.001 -9.278 9.274 636 HA VAL 84 HA VAL 84 9.320 -9.499 11.942 637 HB VAL 84 HB VAL 84 10.552 -9.569 9.168 638 HG11 VAL 84 HG11 VAL 84 12.297 -10.803 10.858 639 HG12 VAL 84 HG12 VAL 84 11.609 -9.587 11.935 640 HG13 VAL 84 HG13 VAL 84 12.393 -9.094 10.433 641 HG21 VAL 84 HG21 VAL 84 9.414 -11.589 9.223 642 HG22 VAL 84 HG22 VAL 84 9.443 -11.675 10.984 643 HG23 VAL 84 HG23 VAL 84 10.895 -12.057 10.058 644 H GLU 85 H GLU 85 10.295 -7.683 12.813 645 HA GLU 85 HA GLU 85 10.628 -5.355 13.055 646 HB2 GLU 85 HB3 GLU 85 11.851 -5.851 10.320 647 HB3 GLU 85 HB2 GLU 85 12.154 -4.434 11.326 648 HG2 GLU 85 HG3 GLU 85 13.023 -5.922 13.119 649 HG3 GLU 85 HG2 GLU 85 12.786 -7.309 12.056 650 H ALA 86 H ALA 86 8.161 -5.235 12.744 651 HA ALA 86 HA ALA 86 6.871 -4.614 10.346 652 HB1 ALA 86 HB1 ALA 86 5.753 -4.878 12.569 653 HB2 ALA 86 HB2 ALA 86 5.201 -3.455 11.687 654 HB3 ALA 86 HB3 ALA 86 6.345 -3.278 13.017 655 H LYS 87 H LYS 87 6.470 -2.673 9.215 656 HA LYS 87 HA LYS 87 8.624 -0.856 8.943 657 HB2 LYS 87 HB3 LYS 87 6.694 -1.271 7.313 658 HB3 LYS 87 HB2 LYS 87 5.740 -0.182 8.320 659 HG2 LYS 87 HG3 LYS 87 7.465 1.584 8.001 660 HG3 LYS 87 HG2 LYS 87 8.347 0.498 6.928 661 HD2 LYS 87 HD3 LYS 87 6.234 0.336 5.532 662 HD3 LYS 87 HD2 LYS 87 5.579 1.646 6.514 663 HE2 LYS 87 HE3 LYS 87 7.466 1.781 4.313 664 HE3 LYS 87 HE2 LYS 87 6.600 3.089 5.115 665 HZ1 LYS 87 HZ1 LYS 87 8.835 3.518 5.537 666 HZ2 LYS 87 HZ2 LYS 87 9.203 1.889 5.836 667 HZ3 LYS 87 HZ3 LYS 87 8.297 2.775 6.966 668 H LEU 88 H LEU 88 8.633 1.481 9.495 669 HA LEU 88 HA LEU 88 8.324 2.001 12.232 670 HB2 LEU 88 HB3 LEU 88 8.070 4.038 9.999 671 HB3 LEU 88 HB2 LEU 88 8.536 4.365 11.668 672 HG LEU 88 HG LEU 88 10.071 2.648 9.695 673 HD11 LEU 88 HD11 LEU 88 11.669 4.406 9.635 674 HD12 LEU 88 HD12 LEU 88 10.946 5.214 11.026 675 HD13 LEU 88 HD13 LEU 88 10.108 5.210 9.474 676 HD21 LEU 88 HD21 LEU 88 10.598 1.652 11.722 677 HD22 LEU 88 HD22 LEU 88 10.290 3.123 12.643 678 HD23 LEU 88 HD23 LEU 88 11.779 2.962 11.712 679 H GLN 89 H GLN 89 5.983 2.475 9.604 680 HA GLN 89 HA GLN 89 3.850 2.657 11.661 681 HB2 GLN 89 HB3 GLN 89 4.248 4.663 9.420 682 HB3 GLN 89 HB2 GLN 89 2.803 4.563 10.428 683 HG2 GLN 89 HG3 GLN 89 4.162 4.980 12.438 684 HG3 GLN 89 HG2 GLN 89 5.619 5.054 11.446 685 HE21 GLN 89 HE22 GLN 89 4.835 7.303 13.007 686 HE22 GLN 89 HE21 GLN 89 4.346 8.548 11.962 Start of MODEL 4 1 H1 SER -1 H1 SER -1 12.647 -0.434 3.181 2 H2 SER -1 H2 SER -1 13.304 -1.975 2.899 3 H3 SER -1 H3 SER -1 11.738 -1.820 3.540 4 HA SER -1 HA SER -1 11.181 -0.569 1.405 5 HB2 SER -1 HB3 SER -1 13.907 -1.671 0.891 6 HB3 SER -1 HB2 SER -1 12.738 -1.744 -0.426 7 HG SER -1 HG SER -1 12.762 0.645 0.921 8 H GLU 0 H GLU 0 11.179 -3.205 3.166 9 HA GLU 0 HA GLU 0 10.751 -5.411 1.430 10 HB2 GLU 0 HB3 GLU 0 9.446 -4.805 4.102 11 HB3 GLU 0 HB2 GLU 0 9.452 -6.380 3.308 12 HG2 GLU 0 HG3 GLU 0 11.938 -6.369 3.352 13 HG3 GLU 0 HG2 GLU 0 11.896 -4.835 4.223 14 H MET 1 H MET 1 8.860 -6.211 0.429 15 HA MET 1 HA MET 1 6.250 -5.139 0.755 16 HB2 MET 1 HB3 MET 1 6.146 -3.926 -1.495 17 HB3 MET 1 HB2 MET 1 6.965 -3.073 -0.190 18 HG2 MET 1 HG3 MET 1 9.140 -4.075 -1.082 19 HG3 MET 1 HG2 MET 1 8.222 -4.564 -2.503 20 HE1 MET 1 HE1 MET 1 9.990 -1.754 -4.162 21 HE2 MET 1 HE2 MET 1 9.871 -3.482 -3.804 22 HE3 MET 1 HE3 MET 1 10.805 -2.424 -2.750 23 H GLN 2 H GLN 2 5.379 -7.116 0.379 24 HA GLN 2 HA GLN 2 6.332 -8.770 -1.867 25 HB2 GLN 2 HB3 GLN 2 5.760 -9.763 0.364 26 HB3 GLN 2 HB2 GLN 2 4.079 -9.304 0.091 27 HG2 GLN 2 HG3 GLN 2 4.283 -11.593 -0.600 28 HG3 GLN 2 HG2 GLN 2 4.186 -10.629 -2.074 29 HE21 GLN 2 HE22 GLN 2 5.522 -11.802 -3.506 30 HE22 GLN 2 HE21 GLN 2 7.143 -12.192 -3.185 31 H HIS 3 H HIS 3 5.370 -8.757 -3.836 32 HA HIS 3 HA HIS 3 3.826 -8.305 -5.537 33 HB2 HIS 3 HB3 HIS 3 1.764 -8.452 -3.319 34 HB3 HIS 3 HB2 HIS 3 1.490 -8.693 -5.042 35 HD1 HIS 3 HD1 HIS 3 0.850 -10.944 -2.986 36 HD2 HIS 3 HD2 HIS 3 4.443 -10.635 -5.084 37 HE1 HIS 3 HE1 HIS 3 1.862 -13.268 -3.024 38 HE2 HIS 3 HE2 HIS 3 4.048 -13.091 -4.298 39 H ALA 4 H ALA 4 5.068 -6.059 -4.194 40 HA ALA 4 HA ALA 4 3.199 -4.005 -3.531 41 HB1 ALA 4 HB1 ALA 4 5.089 -2.826 -3.184 42 HB2 ALA 4 HB2 ALA 4 5.545 -2.962 -4.882 43 HB3 ALA 4 HB3 ALA 4 5.994 -4.232 -3.745 44 H SER 5 H SER 5 4.452 -5.151 -6.624 45 HA SER 5 HA SER 5 3.648 -2.991 -8.267 46 HB2 SER 5 HB3 SER 5 5.024 -4.959 -9.003 47 HB3 SER 5 HB2 SER 5 3.555 -5.931 -8.997 48 HG SER 5 HG SER 5 4.004 -5.054 -11.065 49 H VAL 6 H VAL 6 1.783 -5.736 -7.021 50 HA VAL 6 HA VAL 6 -0.573 -5.272 -8.572 51 HB VAL 6 HB VAL 6 -0.207 -6.508 -5.841 52 HG11 VAL 6 HG11 VAL 6 -2.475 -6.020 -5.795 53 HG12 VAL 6 HG12 VAL 6 -2.502 -7.573 -6.630 54 HG13 VAL 6 HG13 VAL 6 -2.625 -6.074 -7.552 55 HG21 VAL 6 HG21 VAL 6 0.655 -7.429 -8.248 56 HG22 VAL 6 HG22 VAL 6 -0.982 -8.087 -8.229 57 HG23 VAL 6 HG23 VAL 6 0.145 -8.489 -6.932 58 H ILE 7 H ILE 7 0.383 -4.124 -5.346 59 HA ILE 7 HA ILE 7 -1.984 -2.648 -4.770 60 HB ILE 7 HB ILE 7 0.872 -2.015 -3.964 61 HG12 ILE 7 HG13 ILE 7 -1.222 -3.610 -2.462 62 HG13 ILE 7 HG12 ILE 7 0.035 -4.355 -3.451 63 HG21 ILE 7 HG21 ILE 7 -1.773 -1.298 -2.661 64 HG22 ILE 7 HG22 ILE 7 -0.765 -0.180 -3.581 65 HG23 ILE 7 HG23 ILE 7 -0.170 -0.863 -2.067 66 HD11 ILE 7 HD11 ILE 7 1.484 -4.175 -1.745 67 HD12 ILE 7 HD12 ILE 7 0.235 -3.416 -0.759 68 HD13 ILE 7 HD13 ILE 7 1.288 -2.422 -1.766 69 H ALA 8 H ALA 8 1.012 -1.724 -6.438 70 HA ALA 8 HA ALA 8 0.373 1.017 -6.840 71 HB1 ALA 8 HB1 ALA 8 2.220 1.070 -8.238 72 HB2 ALA 8 HB2 ALA 8 1.858 -0.505 -8.945 73 HB3 ALA 8 HB3 ALA 8 2.563 -0.404 -7.330 74 H GLN 9 H GLN 9 -0.489 -1.899 -8.644 75 HA GLN 9 HA GLN 9 -1.600 -0.583 -10.928 76 HB2 GLN 9 HB3 GLN 9 -1.052 -3.028 -10.784 77 HB3 GLN 9 HB2 GLN 9 -2.462 -3.234 -9.746 78 HG2 GLN 9 HG3 GLN 9 -3.890 -2.280 -11.554 79 HG3 GLN 9 HG2 GLN 9 -2.469 -2.201 -12.597 80 HE21 GLN 9 HE22 GLN 9 -4.952 -4.301 -11.378 81 HE22 GLN 9 HE21 GLN 9 -4.389 -5.731 -12.099 82 H PHE 10 H PHE 10 -3.069 -1.611 -7.847 83 HA PHE 10 HA PHE 10 -5.751 -0.913 -8.563 84 HB2 PHE 10 HB3 PHE 10 -4.318 -1.239 -5.941 85 HB3 PHE 10 HB2 PHE 10 -5.981 -0.654 -5.980 86 HD1 PHE 10 HD1 PHE 10 -7.751 -2.058 -7.135 87 HD2 PHE 10 HD2 PHE 10 -3.820 -3.543 -6.245 88 HE1 PHE 10 HE1 PHE 10 -8.573 -4.383 -7.385 89 HE2 PHE 10 HE2 PHE 10 -4.644 -5.869 -6.497 90 HZ PHE 10 HZ PHE 10 -7.019 -6.289 -7.063 91 H VAL 11 H VAL 11 -3.322 0.964 -6.720 92 HA VAL 11 HA VAL 11 -4.986 3.278 -6.459 93 HB VAL 11 HB VAL 11 -3.022 3.035 -5.055 94 HG11 VAL 11 HG11 VAL 11 -1.306 3.424 -7.507 95 HG12 VAL 11 HG12 VAL 11 -1.735 1.823 -6.912 96 HG13 VAL 11 HG13 VAL 11 -0.803 2.920 -5.894 97 HG21 VAL 11 HG21 VAL 11 -3.781 5.353 -6.249 98 HG22 VAL 11 HG22 VAL 11 -2.093 5.282 -6.757 99 HG23 VAL 11 HG23 VAL 11 -2.499 5.264 -5.040 100 H VAL 12 H VAL 12 -2.616 2.332 -8.941 101 HA VAL 12 HA VAL 12 -2.750 4.766 -10.439 102 HB VAL 12 HB VAL 12 -2.146 1.934 -11.310 103 HG11 VAL 12 HG11 VAL 12 -1.781 4.562 -12.775 104 HG12 VAL 12 HG12 VAL 12 -2.846 3.241 -13.254 105 HG13 VAL 12 HG13 VAL 12 -1.098 3.023 -13.296 106 HG21 VAL 12 HG21 VAL 12 -0.025 2.324 -10.610 107 HG22 VAL 12 HG22 VAL 12 -0.713 3.663 -9.692 108 HG23 VAL 12 HG23 VAL 12 -0.019 3.953 -11.286 109 H GLU 13 H GLU 13 -4.576 1.707 -10.737 110 HA GLU 13 HA GLU 13 -6.220 2.659 -12.911 111 HB2 GLU 13 HB3 GLU 13 -6.563 0.389 -10.952 112 HB3 GLU 13 HB2 GLU 13 -7.635 0.675 -12.314 113 HG2 GLU 13 HG3 GLU 13 -5.701 0.520 -13.852 114 HG3 GLU 13 HG2 GLU 13 -4.664 0.157 -12.477 115 H GLU 14 H GLU 14 -6.364 2.911 -9.450 116 HA GLU 14 HA GLU 14 -9.151 3.458 -9.168 117 HB2 GLU 14 HB3 GLU 14 -7.599 2.935 -7.282 118 HB3 GLU 14 HB2 GLU 14 -6.882 4.536 -7.476 119 HG2 GLU 14 HG3 GLU 14 -9.131 5.549 -7.106 120 HG3 GLU 14 HG2 GLU 14 -9.777 3.936 -6.805 121 H PHE 15 H PHE 15 -6.449 5.531 -10.116 122 HA PHE 15 HA PHE 15 -8.453 7.693 -10.596 123 HB2 PHE 15 HB3 PHE 15 -7.186 8.143 -8.490 124 HB3 PHE 15 HB2 PHE 15 -5.694 8.144 -9.430 125 HD1 PHE 15 HD1 PHE 15 -9.019 9.808 -9.110 126 HD2 PHE 15 HD2 PHE 15 -5.012 10.066 -10.630 127 HE1 PHE 15 HE1 PHE 15 -9.402 12.182 -9.714 128 HE2 PHE 15 HE2 PHE 15 -5.395 12.440 -11.239 129 HZ PHE 15 HZ PHE 15 -7.590 13.498 -10.780 130 H LEU 16 H LEU 16 -5.154 6.517 -11.340 131 HA LEU 16 HA LEU 16 -5.422 7.875 -13.994 132 HB2 LEU 16 HB3 LEU 16 -3.159 7.604 -12.087 133 HB3 LEU 16 HB2 LEU 16 -2.775 7.504 -13.805 134 HG LEU 16 HG LEU 16 -4.575 9.695 -12.834 135 HD11 LEU 16 HD11 LEU 16 -2.627 9.779 -11.334 136 HD12 LEU 16 HD12 LEU 16 -2.583 11.123 -12.474 137 HD13 LEU 16 HD13 LEU 16 -1.543 9.721 -12.725 138 HD21 LEU 16 HD21 LEU 16 -2.444 10.101 -14.857 139 HD22 LEU 16 HD22 LEU 16 -4.130 10.617 -14.880 140 HD23 LEU 16 HD23 LEU 16 -3.711 8.958 -15.304 141 HA PRO 17 HA PRO 17 -5.110 3.318 -14.770 142 HB2 PRO 17 HB2 PRO 17 -7.114 3.201 -16.631 143 HB3 PRO 17 HB3 PRO 17 -7.385 3.028 -14.889 144 HG2 PRO 17 HG3 PRO 17 -7.904 5.334 -16.661 145 HG3 PRO 17 HG2 PRO 17 -8.757 4.810 -15.202 146 HD2 PRO 17 HD3 PRO 17 -6.936 6.917 -15.331 147 HD3 PRO 17 HD2 PRO 17 -7.440 6.090 -13.845 148 H ASP 18 H ASP 18 -4.888 6.155 -16.694 149 HA ASP 18 HA ASP 18 -3.991 4.704 -19.101 150 HB2 ASP 18 HB3 ASP 18 -5.357 6.800 -19.259 151 HB3 ASP 18 HB2 ASP 18 -3.997 7.678 -18.563 152 H VAL 19 H VAL 19 -2.582 5.216 -16.242 153 HA VAL 19 HA VAL 19 0.081 5.918 -17.415 154 HB VAL 19 HB VAL 19 -0.805 6.025 -14.516 155 HG11 VAL 19 HG11 VAL 19 1.598 5.658 -14.767 156 HG12 VAL 19 HG12 VAL 19 1.310 7.322 -14.255 157 HG13 VAL 19 HG13 VAL 19 1.700 6.972 -15.939 158 HG21 VAL 19 HG21 VAL 19 -1.933 7.697 -16.004 159 HG22 VAL 19 HG22 VAL 19 -0.343 8.285 -16.488 160 HG23 VAL 19 HG23 VAL 19 -0.869 8.444 -14.812 161 H ALA 20 H ALA 20 1.701 4.406 -17.300 162 HA ALA 20 HA ALA 20 1.028 1.690 -16.569 163 HB1 ALA 20 HB1 ALA 20 3.356 1.189 -17.168 164 HB2 ALA 20 HB2 ALA 20 3.729 2.912 -17.193 165 HB3 ALA 20 HB3 ALA 20 2.619 2.233 -18.384 166 HA PRO 21 HA PRO 21 1.863 2.379 -12.140 167 HB2 PRO 21 HB2 PRO 21 2.142 -0.587 -12.184 168 HB3 PRO 21 HB3 PRO 21 1.159 0.437 -11.121 169 HG2 PRO 21 HG3 PRO 21 0.091 -1.005 -13.108 170 HG3 PRO 21 HG2 PRO 21 -0.563 0.564 -12.610 171 HD2 PRO 21 HD3 PRO 21 0.966 -0.137 -15.061 172 HD3 PRO 21 HD2 PRO 21 -0.211 1.167 -14.787 173 H ALA 22 H ALA 22 3.827 0.499 -14.359 174 HA ALA 22 HA ALA 22 6.063 0.029 -12.629 175 HB1 ALA 22 HB1 ALA 22 7.009 -0.911 -14.470 176 HB2 ALA 22 HB2 ALA 22 6.685 0.504 -15.473 177 HB3 ALA 22 HB3 ALA 22 5.417 -0.689 -15.195 178 H ASP 23 H ASP 23 4.960 2.858 -14.328 179 HA ASP 23 HA ASP 23 7.555 4.219 -14.136 180 HB2 ASP 23 HB3 ASP 23 6.393 6.129 -15.120 181 HB3 ASP 23 HB2 ASP 23 5.984 4.666 -16.017 182 H VAL 24 H VAL 24 5.496 3.364 -11.804 183 HA VAL 24 HA VAL 24 5.566 5.994 -10.387 184 HB VAL 24 HB VAL 24 4.154 3.476 -9.489 185 HG11 VAL 24 HG11 VAL 24 2.897 4.964 -8.090 186 HG12 VAL 24 HG12 VAL 24 3.544 6.384 -8.911 187 HG13 VAL 24 HG13 VAL 24 4.594 5.400 -7.892 188 HG21 VAL 24 HG21 VAL 24 3.335 4.080 -11.737 189 HG22 VAL 24 HG22 VAL 24 3.080 5.742 -11.205 190 HG23 VAL 24 HG23 VAL 24 2.111 4.438 -10.519 191 H ASP 25 H ASP 25 6.974 6.249 -8.688 192 HA ASP 25 HA ASP 25 8.682 3.945 -7.978 193 HB2 ASP 25 HB3 ASP 25 8.765 6.868 -7.163 194 HB3 ASP 25 HB2 ASP 25 9.942 5.657 -6.651 195 H VAL 26 H VAL 26 8.104 2.669 -6.280 196 HA VAL 26 HA VAL 26 6.010 3.514 -4.429 197 HB VAL 26 HB VAL 26 6.295 1.300 -3.452 198 HG11 VAL 26 HG11 VAL 26 5.460 0.140 -5.254 199 HG12 VAL 26 HG12 VAL 26 6.736 0.698 -6.336 200 HG13 VAL 26 HG13 VAL 26 5.389 1.765 -5.936 201 HG21 VAL 26 HG21 VAL 26 8.115 -0.183 -4.483 202 HG22 VAL 26 HG22 VAL 26 8.668 1.058 -3.359 203 HG23 VAL 26 HG23 VAL 26 8.831 1.306 -5.097 204 H ASP 27 H ASP 27 9.151 4.374 -4.642 205 HA ASP 27 HA ASP 27 9.897 4.095 -1.818 206 HB2 ASP 27 HB3 ASP 27 11.175 5.564 -4.144 207 HB3 ASP 27 HB2 ASP 27 11.872 5.472 -2.528 208 H LEU 28 H LEU 28 8.232 6.341 -3.832 209 HA LEU 28 HA LEU 28 8.608 8.591 -1.961 210 HB2 LEU 28 HB3 LEU 28 8.488 8.981 -4.416 211 HB3 LEU 28 HB2 LEU 28 6.840 8.362 -4.417 212 HG LEU 28 HG LEU 28 6.253 10.147 -2.732 213 HD11 LEU 28 HD11 LEU 28 7.993 12.122 -2.909 214 HD12 LEU 28 HD12 LEU 28 9.133 10.821 -3.250 215 HD13 LEU 28 HD13 LEU 28 8.241 10.836 -1.729 216 HD21 LEU 28 HD21 LEU 28 5.649 10.540 -5.018 217 HD22 LEU 28 HD22 LEU 28 7.314 10.916 -5.461 218 HD23 LEU 28 HD23 LEU 28 6.399 12.029 -4.444 219 H ASP 29 H ASP 29 7.067 9.220 -0.461 220 HA ASP 29 HA ASP 29 5.182 7.325 0.463 221 HB2 ASP 29 HB3 ASP 29 5.248 10.338 0.836 222 HB3 ASP 29 HB2 ASP 29 4.190 9.254 1.739 223 H LEU 30 H LEU 30 3.103 6.918 -0.044 224 HA LEU 30 HA LEU 30 2.049 7.738 -2.568 225 HB2 LEU 30 HB3 LEU 30 1.563 5.658 -0.982 226 HB3 LEU 30 HB2 LEU 30 0.261 6.699 -0.409 227 HG LEU 30 HG LEU 30 0.753 5.966 -3.308 228 HD11 LEU 30 HD11 LEU 30 -1.766 5.105 -2.200 229 HD12 LEU 30 HD12 LEU 30 -0.442 4.488 -1.213 230 HD13 LEU 30 HD13 LEU 30 -0.495 4.132 -2.940 231 HD21 LEU 30 HD21 LEU 30 -1.134 7.793 -1.878 232 HD22 LEU 30 HD22 LEU 30 -1.739 6.904 -3.275 233 HD23 LEU 30 HD23 LEU 30 -0.361 7.989 -3.450 234 H VAL 31 H VAL 31 1.404 8.813 0.752 235 HA VAL 31 HA VAL 31 -0.862 10.433 0.138 236 HB VAL 31 HB VAL 31 1.199 10.695 2.335 237 HG11 VAL 31 HG11 VAL 31 -1.139 11.883 3.197 238 HG12 VAL 31 HG12 VAL 31 -1.057 12.392 1.509 239 HG13 VAL 31 HG13 VAL 31 0.276 12.754 2.605 240 HG21 VAL 31 HG21 VAL 31 0.051 8.993 3.270 241 HG22 VAL 31 HG22 VAL 31 -0.961 8.895 1.829 242 HG23 VAL 31 HG23 VAL 31 -1.435 9.939 3.171 243 H ASP 32 H ASP 32 2.608 11.120 -0.029 244 HA ASP 32 HA ASP 32 2.512 13.920 -0.309 245 HB2 ASP 32 HB3 ASP 32 4.275 11.897 -1.725 246 HB3 ASP 32 HB2 ASP 32 4.543 13.639 -1.782 247 H ASN 33 H ASN 33 1.711 11.366 -2.575 248 HA ASN 33 HA ASN 33 1.396 13.065 -4.887 249 HB2 ASN 33 HB3 ASN 33 0.315 10.337 -4.190 250 HB3 ASN 33 HB2 ASN 33 0.093 11.094 -5.760 251 HD21 ASN 33 HD22 ASN 33 1.563 8.654 -5.512 252 HD22 ASN 33 HD21 ASN 33 3.195 8.967 -5.860 253 H GLY 34 H GLY 34 -0.745 11.981 -2.297 254 HA2 GLY 34 HA3 GLY 34 -2.752 13.048 -1.586 255 HA3 GLY 34 HA2 GLY 34 -2.665 14.097 -3.004 256 H VAL 35 H VAL 35 -2.142 10.927 -3.925 257 HA VAL 35 HA VAL 35 -4.548 10.749 -5.450 258 HB VAL 35 HB VAL 35 -2.616 8.589 -4.552 259 HG11 VAL 35 HG11 VAL 35 -3.722 7.580 -6.777 260 HG12 VAL 35 HG12 VAL 35 -5.096 8.532 -6.212 261 HG13 VAL 35 HG13 VAL 35 -4.406 7.280 -5.179 262 HG21 VAL 35 HG21 VAL 35 -1.384 9.088 -6.421 263 HG22 VAL 35 HG22 VAL 35 -2.130 10.673 -6.225 264 HG23 VAL 35 HG23 VAL 35 -2.808 9.516 -7.369 265 H ILE 36 H ILE 36 -3.674 9.589 -2.230 266 HA ILE 36 HA ILE 36 -6.165 8.090 -1.913 267 HB ILE 36 HB ILE 36 -4.061 8.930 0.106 268 HG12 ILE 36 HG13 ILE 36 -4.590 6.237 -1.182 269 HG13 ILE 36 HG12 ILE 36 -3.358 7.361 -1.730 270 HG21 ILE 36 HG21 ILE 36 -5.135 7.013 1.412 271 HG22 ILE 36 HG22 ILE 36 -6.481 7.130 0.281 272 HG23 ILE 36 HG23 ILE 36 -6.076 8.502 1.313 273 HD11 ILE 36 HD11 ILE 36 -2.864 7.224 0.984 274 HD12 ILE 36 HD12 ILE 36 -1.989 6.318 -0.250 275 HD13 ILE 36 HD13 ILE 36 -3.345 5.573 0.595 276 H ASP 37 H ASP 37 -8.025 9.200 -1.734 277 HA ASP 37 HA ASP 37 -8.044 11.736 -0.165 278 HB2 ASP 37 HB3 ASP 37 -9.832 10.741 -2.402 279 HB3 ASP 37 HB2 ASP 37 -10.166 12.182 -1.450 280 H ALA 38 H ALA 38 -10.784 11.876 0.306 281 HA ALA 38 HA ALA 38 -11.092 10.097 2.540 282 HB1 ALA 38 HB1 ALA 38 -13.591 11.188 1.444 283 HB2 ALA 38 HB2 ALA 38 -12.343 12.411 1.687 284 HB3 ALA 38 HB3 ALA 38 -12.874 11.413 3.041 285 H LEU 39 H LEU 39 -12.804 10.228 -0.591 286 HA LEU 39 HA LEU 39 -14.070 7.655 -0.201 287 HB2 LEU 39 HB3 LEU 39 -13.552 9.123 -2.798 288 HB3 LEU 39 HB2 LEU 39 -14.748 7.863 -2.528 289 HG LEU 39 HG LEU 39 -14.713 10.626 -1.315 290 HD11 LEU 39 HD11 LEU 39 -16.632 11.045 -2.608 291 HD12 LEU 39 HD12 LEU 39 -16.933 9.327 -2.878 292 HD13 LEU 39 HD13 LEU 39 -15.599 10.129 -3.707 293 HD21 LEU 39 HD21 LEU 39 -16.266 8.144 -0.626 294 HD22 LEU 39 HD22 LEU 39 -16.991 9.735 -0.388 295 HD23 LEU 39 HD23 LEU 39 -15.503 9.308 0.457 296 H GLY 40 H GLY 40 -11.117 8.866 -1.619 297 HA2 GLY 40 HA3 GLY 40 -10.282 6.537 -3.007 298 HA3 GLY 40 HA2 GLY 40 -9.193 7.754 -2.332 299 H LEU 41 H LEU 41 -9.916 7.533 0.377 300 HA LEU 41 HA LEU 41 -8.330 5.288 1.194 301 HB2 LEU 41 HB3 LEU 41 -8.606 7.403 2.502 302 HB3 LEU 41 HB2 LEU 41 -10.269 6.933 2.846 303 HG LEU 41 HG LEU 41 -8.229 4.870 3.437 304 HD11 LEU 41 HD11 LEU 41 -6.899 6.581 4.321 305 HD12 LEU 41 HD12 LEU 41 -7.892 6.138 5.709 306 HD13 LEU 41 HD13 LEU 41 -8.293 7.569 4.760 307 HD21 LEU 41 HD21 LEU 41 -10.296 5.968 5.320 308 HD22 LEU 41 HD22 LEU 41 -9.735 4.307 5.131 309 HD23 LEU 41 HD23 LEU 41 -10.821 5.014 3.934 310 H LEU 42 H LEU 42 -11.827 5.893 1.120 311 HA LEU 42 HA LEU 42 -12.647 3.478 2.397 312 HB2 LEU 42 HB3 LEU 42 -14.177 5.366 1.942 313 HB3 LEU 42 HB2 LEU 42 -14.036 5.063 0.211 314 HG LEU 42 HG LEU 42 -14.761 2.593 1.057 315 HD11 LEU 42 HD11 LEU 42 -16.210 4.530 2.878 316 HD12 LEU 42 HD12 LEU 42 -14.960 3.406 3.408 317 HD13 LEU 42 HD13 LEU 42 -16.483 2.792 2.767 318 HD21 LEU 42 HD21 LEU 42 -16.392 4.992 0.252 319 HD22 LEU 42 HD22 LEU 42 -17.156 3.426 0.525 320 HD23 LEU 42 HD23 LEU 42 -15.922 3.600 -0.724 321 H LYS 43 H LYS 43 -12.140 4.234 -1.037 322 HA LYS 43 HA LYS 43 -12.857 1.692 -2.064 323 HB2 LYS 43 HB3 LYS 43 -10.871 3.725 -3.093 324 HB3 LYS 43 HB2 LYS 43 -11.428 2.334 -4.016 325 HG2 LYS 43 HG3 LYS 43 -13.773 3.141 -3.749 326 HG3 LYS 43 HG2 LYS 43 -13.153 4.580 -2.940 327 HD2 LYS 43 HD3 LYS 43 -11.796 5.090 -4.974 328 HD3 LYS 43 HD2 LYS 43 -12.551 3.716 -5.782 329 HE2 LYS 43 HE3 LYS 43 -13.724 5.789 -6.377 330 HE3 LYS 43 HE2 LYS 43 -14.778 4.748 -5.421 331 HZ1 LYS 43 HZ1 LYS 43 -14.841 6.217 -3.767 332 HZ2 LYS 43 HZ2 LYS 43 -14.220 7.340 -4.877 333 HZ3 LYS 43 HZ3 LYS 43 -13.169 6.513 -3.828 334 H VAL 44 H VAL 44 -9.821 2.898 -0.731 335 HA VAL 44 HA VAL 44 -8.150 0.715 -1.474 336 HB VAL 44 HB VAL 44 -8.047 2.592 0.895 337 HG11 VAL 44 HG11 VAL 44 -5.608 1.827 0.951 338 HG12 VAL 44 HG12 VAL 44 -6.108 0.479 -0.071 339 HG13 VAL 44 HG13 VAL 44 -6.792 0.662 1.544 340 HG21 VAL 44 HG21 VAL 44 -6.180 2.558 -1.462 341 HG22 VAL 44 HG22 VAL 44 -6.616 3.904 -0.410 342 HG23 VAL 44 HG23 VAL 44 -7.760 3.322 -1.620 343 H ILE 45 H ILE 45 -10.082 1.284 1.444 344 HA ILE 45 HA ILE 45 -9.363 -1.166 2.738 345 HB ILE 45 HB ILE 45 -11.403 0.966 3.103 346 HG12 ILE 45 HG13 ILE 45 -10.485 0.833 5.426 347 HG13 ILE 45 HG12 ILE 45 -9.439 -0.485 4.902 348 HG21 ILE 45 HG21 ILE 45 -11.664 -1.842 4.179 349 HG22 ILE 45 HG22 ILE 45 -12.889 -0.862 3.374 350 HG23 ILE 45 HG23 ILE 45 -12.370 -0.457 5.008 351 HD11 ILE 45 HD11 ILE 45 -7.983 0.941 3.928 352 HD12 ILE 45 HD12 ILE 45 -8.840 2.232 4.768 353 HD13 ILE 45 HD13 ILE 45 -9.278 1.815 3.114 354 H ALA 46 H ALA 46 -12.100 -0.319 0.609 355 HA ALA 46 HA ALA 46 -13.520 -2.768 1.035 356 HB1 ALA 46 HB1 ALA 46 -14.800 -2.151 -0.938 357 HB2 ALA 46 HB2 ALA 46 -13.553 -1.000 -1.420 358 HB3 ALA 46 HB3 ALA 46 -14.502 -0.713 0.039 359 H TRP 47 H TRP 47 -11.330 -1.866 -1.684 360 HA TRP 47 HA TRP 47 -11.563 -4.549 -2.805 361 HB2 TRP 47 HB3 TRP 47 -10.848 -3.436 -4.615 362 HB3 TRP 47 HB2 TRP 47 -10.474 -2.022 -3.629 363 HD1 TRP 47 HD1 TRP 47 -8.859 -5.458 -4.426 364 HE1 TRP 47 HE1 TRP 47 -6.299 -5.129 -4.490 365 HE3 TRP 47 HE3 TRP 47 -8.593 -0.524 -3.252 366 HZ2 TRP 47 HZ2 TRP 47 -4.390 -3.028 -4.089 367 HZ3 TRP 47 HZ3 TRP 47 -6.404 0.634 -3.095 368 HH2 TRP 47 HH2 TRP 47 -4.302 -0.614 -3.515 369 H LEU 48 H LEU 48 -8.983 -2.803 -1.070 370 HA LEU 48 HA LEU 48 -7.048 -4.866 -1.165 371 HB2 LEU 48 HB3 LEU 48 -6.682 -2.511 -0.360 372 HB3 LEU 48 HB2 LEU 48 -7.530 -2.935 1.125 373 HG LEU 48 HG LEU 48 -5.781 -4.905 1.195 374 HD11 LEU 48 HD11 LEU 48 -3.807 -4.612 0.015 375 HD12 LEU 48 HD12 LEU 48 -4.026 -2.867 -0.117 376 HD13 LEU 48 HD13 LEU 48 -4.960 -3.953 -1.146 377 HD21 LEU 48 HD21 LEU 48 -5.569 -3.520 3.010 378 HD22 LEU 48 HD22 LEU 48 -5.628 -2.057 2.027 379 HD23 LEU 48 HD23 LEU 48 -4.130 -2.979 2.145 380 H GLU 49 H GLU 49 -9.597 -4.267 1.264 381 HA GLU 49 HA GLU 49 -8.859 -6.511 2.912 382 HB2 GLU 49 HB3 GLU 49 -11.460 -4.990 2.651 383 HB3 GLU 49 HB2 GLU 49 -11.099 -6.140 3.925 384 HG2 GLU 49 HG3 GLU 49 -9.484 -3.656 3.344 385 HG3 GLU 49 HG2 GLU 49 -10.647 -3.821 4.648 386 H ASP 50 H ASP 50 -11.103 -6.078 0.213 387 HA ASP 50 HA ASP 50 -12.472 -8.560 0.423 388 HB2 ASP 50 HB3 ASP 50 -13.121 -6.628 -1.034 389 HB3 ASP 50 HB2 ASP 50 -11.808 -7.080 -2.118 390 H ARG 51 H ARG 51 -9.421 -7.766 -1.222 391 HA ARG 51 HA ARG 51 -9.124 -10.182 -2.656 392 HB2 ARG 51 HB3 ARG 51 -7.047 -8.350 -1.470 393 HB3 ARG 51 HB2 ARG 51 -6.670 -9.672 -2.566 394 HG2 ARG 51 HG3 ARG 51 -8.275 -8.666 -4.221 395 HG3 ARG 51 HG2 ARG 51 -8.423 -7.277 -3.144 396 HD2 ARG 51 HD3 ARG 51 -5.872 -8.272 -4.443 397 HD3 ARG 51 HD2 ARG 51 -6.749 -6.798 -4.854 398 HE ARG 51 HE ARG 51 -6.233 -6.397 -2.211 399 HH11 ARG 51 HH22 ARG 51 -4.328 -7.502 -4.864 400 HH12 ARG 51 HH21 ARG 51 -2.842 -6.875 -4.231 401 HH21 ARG 51 HH11 ARG 51 -4.304 -5.575 -1.369 402 HH22 ARG 51 HH12 ARG 51 -2.829 -5.783 -2.253 403 H PHE 52 H PHE 52 -8.212 -9.461 0.721 404 HA PHE 52 HA PHE 52 -7.117 -12.189 0.967 405 HB2 PHE 52 HB3 PHE 52 -7.218 -9.790 2.782 406 HB3 PHE 52 HB2 PHE 52 -6.779 -11.379 3.404 407 HD1 PHE 52 HD1 PHE 52 -5.884 -8.767 0.921 408 HD2 PHE 52 HD2 PHE 52 -4.657 -12.371 2.910 409 HE1 PHE 52 HE1 PHE 52 -3.595 -8.492 0.007 410 HE2 PHE 52 HE2 PHE 52 -2.367 -12.095 1.997 411 HZ PHE 52 HZ PHE 52 -1.837 -10.157 0.544 412 H GLY 53 H GLY 53 -10.172 -10.891 1.098 413 HA2 GLY 53 HA3 GLY 53 -12.189 -11.905 1.772 414 HA3 GLY 53 HA2 GLY 53 -11.245 -13.287 2.337 415 H ILE 54 H ILE 54 -10.528 -10.028 3.351 416 HA ILE 54 HA ILE 54 -11.424 -10.765 6.100 417 HB ILE 54 HB ILE 54 -9.686 -9.156 6.858 418 HG12 ILE 54 HG13 ILE 54 -9.040 -9.028 3.897 419 HG13 ILE 54 HG12 ILE 54 -9.763 -7.728 4.832 420 HG21 ILE 54 HG21 ILE 54 -7.747 -10.534 6.231 421 HG22 ILE 54 HG22 ILE 54 -8.667 -11.245 4.905 422 HG23 ILE 54 HG23 ILE 54 -9.138 -11.561 6.575 423 HD11 ILE 54 HD11 ILE 54 -7.719 -7.897 6.366 424 HD12 ILE 54 HD12 ILE 54 -7.443 -7.220 4.761 425 HD13 ILE 54 HD13 ILE 54 -6.995 -8.892 5.104 426 H ALA 55 H ALA 55 -12.427 -9.074 7.371 427 HA ALA 55 HA ALA 55 -13.780 -7.037 5.672 428 HB1 ALA 55 HB1 ALA 55 -15.130 -8.651 7.102 429 HB2 ALA 55 HB2 ALA 55 -15.480 -6.943 7.366 430 HB3 ALA 55 HB3 ALA 55 -14.471 -7.824 8.513 431 H ALA 56 H ALA 56 -13.516 -4.853 6.086 432 HA ALA 56 HA ALA 56 -11.202 -3.992 7.541 433 HB1 ALA 56 HB1 ALA 56 -13.012 -2.839 5.737 434 HB2 ALA 56 HB2 ALA 56 -11.604 -2.056 6.456 435 HB3 ALA 56 HB3 ALA 56 -13.186 -1.894 7.216 436 H ASP 57 H ASP 57 -14.583 -4.332 8.428 437 HA ASP 57 HA ASP 57 -14.657 -2.724 10.744 438 HB2 ASP 57 HB3 ASP 57 -16.595 -3.972 9.702 439 HB3 ASP 57 HB2 ASP 57 -15.976 -5.426 10.480 440 H ASP 58 H ASP 58 -13.343 -5.974 10.288 441 HA ASP 58 HA ASP 58 -12.944 -6.670 12.998 442 HB2 ASP 58 HB3 ASP 58 -11.295 -7.326 10.555 443 HB3 ASP 58 HB2 ASP 58 -11.062 -8.089 12.127 444 H VAL 59 H VAL 59 -10.910 -4.718 10.835 445 HA VAL 59 HA VAL 59 -9.471 -3.748 13.262 446 HB VAL 59 HB VAL 59 -8.077 -5.461 12.091 447 HG11 VAL 59 HG11 VAL 59 -7.631 -3.567 9.834 448 HG12 VAL 59 HG12 VAL 59 -9.118 -4.514 9.801 449 HG13 VAL 59 HG13 VAL 59 -7.555 -5.329 9.855 450 HG21 VAL 59 HG21 VAL 59 -6.857 -2.742 11.629 451 HG22 VAL 59 HG22 VAL 59 -6.088 -4.206 12.243 452 HG23 VAL 59 HG23 VAL 59 -7.206 -3.301 13.264 453 H GLU 60 H GLU 60 -8.970 -1.547 13.198 454 HA GLU 60 HA GLU 60 -10.113 -0.062 10.880 455 HB2 GLU 60 HB3 GLU 60 -9.360 0.898 13.655 456 HB3 GLU 60 HB2 GLU 60 -10.104 1.885 12.404 457 HG2 GLU 60 HG3 GLU 60 -12.033 0.331 12.366 458 HG3 GLU 60 HG2 GLU 60 -11.299 -0.578 13.682 459 H LEU 61 H LEU 61 -8.805 1.220 9.607 460 HA LEU 61 HA LEU 61 -5.898 1.136 10.199 461 HB2 LEU 61 HB3 LEU 61 -7.413 1.694 7.635 462 HB3 LEU 61 HB2 LEU 61 -5.664 1.740 7.789 463 HG LEU 61 HG LEU 61 -6.042 -0.678 8.824 464 HD11 LEU 61 HD11 LEU 61 -8.141 -0.880 6.740 465 HD12 LEU 61 HD12 LEU 61 -8.634 -0.120 8.251 466 HD13 LEU 61 HD13 LEU 61 -7.979 -1.755 8.260 467 HD21 LEU 61 HD21 LEU 61 -4.629 -0.416 6.936 468 HD22 LEU 61 HD22 LEU 61 -5.956 0.143 5.920 469 HD23 LEU 61 HD23 LEU 61 -5.868 -1.551 6.401 470 H SER 62 H SER 62 -4.697 3.063 10.288 471 HA SER 62 HA SER 62 -6.317 5.535 10.548 472 HB2 SER 62 HB3 SER 62 -4.414 4.425 12.214 473 HB3 SER 62 HB2 SER 62 -3.487 5.626 11.327 474 HG SER 62 HG SER 62 -4.358 6.950 12.718 475 HA PRO 63 HA PRO 63 -4.735 7.265 6.811 476 HB2 PRO 63 HB2 PRO 63 -3.881 9.769 7.794 477 HB3 PRO 63 HB3 PRO 63 -5.484 9.383 7.147 478 HG2 PRO 63 HG3 PRO 63 -4.581 9.604 9.950 479 HG3 PRO 63 HG2 PRO 63 -6.172 9.920 9.242 480 HD2 PRO 63 HD3 PRO 63 -5.662 7.709 10.726 481 HD3 PRO 63 HD2 PRO 63 -6.826 7.699 9.385 482 H GLU 64 H GLU 64 -2.726 7.261 9.678 483 HA GLU 64 HA GLU 64 -0.260 8.014 8.394 484 HB2 GLU 64 HB3 GLU 64 -0.752 6.426 10.918 485 HB3 GLU 64 HB2 GLU 64 0.787 7.122 10.444 486 HG2 GLU 64 HG3 GLU 64 -0.270 9.368 10.439 487 HG3 GLU 64 HG2 GLU 64 -1.758 8.634 11.027 488 H HIS 65 H HIS 65 -2.033 5.034 8.765 489 HA HIS 65 HA HIS 65 0.119 3.246 8.155 490 HB2 HIS 65 HB3 HIS 65 -1.838 2.260 9.069 491 HB3 HIS 65 HB2 HIS 65 -2.879 3.041 7.877 492 HD1 HIS 65 HD1 HIS 65 -3.699 1.339 6.263 493 HD2 HIS 65 HD2 HIS 65 0.262 0.625 7.357 494 HE1 HIS 65 HE1 HIS 65 -2.931 -0.664 4.913 495 HE2 HIS 65 HE2 HIS 65 -0.519 -1.096 5.562 496 H PHE 66 H PHE 66 -1.735 5.427 6.261 497 HA PHE 66 HA PHE 66 -1.045 4.074 3.734 498 HB2 PHE 66 HB3 PHE 66 -2.490 6.703 4.165 499 HB3 PHE 66 HB2 PHE 66 -2.425 5.768 2.673 500 HD1 PHE 66 HD1 PHE 66 -3.459 5.485 6.259 501 HD2 PHE 66 HD2 PHE 66 -4.070 4.151 2.223 502 HE1 PHE 66 HE1 PHE 66 -5.431 4.176 6.994 503 HE2 PHE 66 HE2 PHE 66 -6.043 2.840 2.958 504 HZ PHE 66 HZ PHE 66 -6.721 2.856 5.344 505 H ARG 67 H ARG 67 0.774 5.565 5.756 506 HA ARG 67 HA ARG 67 1.864 7.902 4.721 507 HB2 ARG 67 HB3 ARG 67 3.956 7.199 5.799 508 HB3 ARG 67 HB2 ARG 67 2.581 6.794 6.821 509 HG2 ARG 67 HG3 ARG 67 2.776 4.545 5.286 510 HG3 ARG 67 HG2 ARG 67 4.468 5.014 5.415 511 HD2 ARG 67 HD3 ARG 67 3.922 5.309 7.958 512 HD3 ARG 67 HD2 ARG 67 2.533 4.287 7.596 513 HE ARG 67 HE ARG 67 5.111 3.230 6.666 514 HH11 ARG 67 HH22 ARG 67 2.701 3.420 9.124 515 HH12 ARG 67 HH21 ARG 67 3.135 1.911 9.853 516 HH21 ARG 67 HH11 ARG 67 5.691 1.256 7.606 517 HH22 ARG 67 HH12 ARG 67 4.827 0.687 8.993 518 H SER 68 H SER 68 2.400 4.566 3.597 519 HA SER 68 HA SER 68 3.265 5.595 1.007 520 HB2 SER 68 HB3 SER 68 5.469 4.563 1.010 521 HB3 SER 68 HB2 SER 68 5.366 5.686 2.362 522 HG SER 68 HG SER 68 6.171 3.377 2.664 523 H ILE 69 H ILE 69 3.403 3.895 -0.588 524 HA ILE 69 HA ILE 69 1.486 1.833 -0.320 525 HB ILE 69 HB ILE 69 3.871 1.843 -2.189 526 HG12 ILE 69 HG13 ILE 69 1.748 2.898 -3.583 527 HG13 ILE 69 HG12 ILE 69 1.522 3.611 -1.989 528 HG21 ILE 69 HG21 ILE 69 2.630 0.390 -3.519 529 HG22 ILE 69 HG22 ILE 69 1.097 0.904 -2.817 530 HG23 ILE 69 HG23 ILE 69 2.178 -0.144 -1.899 531 HD11 ILE 69 HD11 ILE 69 2.962 5.158 -2.965 532 HD12 ILE 69 HD12 ILE 69 3.815 3.928 -3.896 533 HD13 ILE 69 HD13 ILE 69 4.114 4.090 -2.167 534 H ARG 70 H ARG 70 4.954 1.937 0.249 535 HA ARG 70 HA ARG 70 5.514 -0.824 0.500 536 HB2 ARG 70 HB3 ARG 70 6.650 1.476 2.122 537 HB3 ARG 70 HB2 ARG 70 7.404 -0.102 1.898 538 HG2 ARG 70 HG3 ARG 70 7.914 0.312 -0.339 539 HG3 ARG 70 HG2 ARG 70 6.650 1.532 -0.506 540 HD2 ARG 70 HD3 ARG 70 8.840 2.620 -0.439 541 HD3 ARG 70 HD2 ARG 70 7.928 3.034 1.010 542 HE ARG 70 HE ARG 70 9.589 0.701 1.442 543 HH11 ARG 70 HH22 ARG 70 9.544 4.137 1.161 544 HH12 ARG 70 HH21 ARG 70 10.934 4.371 2.169 545 HH21 ARG 70 HH11 ARG 70 11.405 0.986 2.758 546 HH22 ARG 70 HH12 ARG 70 11.988 2.587 3.072 547 H SER 71 H SER 71 4.323 1.502 2.914 548 HA SER 71 HA SER 71 4.279 -0.342 5.110 549 HB2 SER 71 HB3 SER 71 4.128 2.154 5.324 550 HB3 SER 71 HB2 SER 71 2.492 2.069 4.679 551 HG SER 71 HG SER 71 3.395 0.623 6.949 552 H ILE 72 H ILE 72 1.847 0.549 2.675 553 HA ILE 72 HA ILE 72 -0.332 -0.877 3.793 554 HB ILE 72 HB ILE 72 0.298 -0.364 0.876 555 HG12 ILE 72 HG13 ILE 72 -1.309 1.261 2.877 556 HG13 ILE 72 HG12 ILE 72 0.302 1.683 2.293 557 HG21 ILE 72 HG21 ILE 72 -1.629 -1.437 0.464 558 HG22 ILE 72 HG22 ILE 72 -2.476 -0.290 1.501 559 HG23 ILE 72 HG23 ILE 72 -1.816 -1.776 2.183 560 HD11 ILE 72 HD11 ILE 72 -0.899 1.358 -0.078 561 HD12 ILE 72 HD12 ILE 72 -0.944 2.896 0.784 562 HD13 ILE 72 HD13 ILE 72 -2.318 1.795 0.874 563 H ASP 73 H ASP 73 2.121 -1.921 1.417 564 HA ASP 73 HA ASP 73 1.095 -4.549 1.028 565 HB2 ASP 73 HB3 ASP 73 2.985 -3.333 -0.244 566 HB3 ASP 73 HB2 ASP 73 4.041 -3.883 1.054 567 H ALA 74 H ALA 74 3.417 -3.271 3.394 568 HA ALA 74 HA ALA 74 3.972 -5.797 4.635 569 HB1 ALA 74 HB1 ALA 74 5.265 -4.581 6.113 570 HB2 ALA 74 HB2 ALA 74 4.087 -3.272 6.222 571 HB3 ALA 74 HB3 ALA 74 5.131 -3.403 4.807 572 H PHE 75 H PHE 75 1.620 -3.235 5.382 573 HA PHE 75 HA PHE 75 0.648 -4.398 7.796 574 HB2 PHE 75 HB3 PHE 75 0.143 -2.076 7.011 575 HB3 PHE 75 HB2 PHE 75 -0.937 -2.769 5.807 576 HD1 PHE 75 HD1 PHE 75 -0.363 -2.295 9.428 577 HD2 PHE 75 HD2 PHE 75 -3.077 -3.711 6.415 578 HE1 PHE 75 HE1 PHE 75 -2.170 -2.436 11.121 579 HE2 PHE 75 HE2 PHE 75 -4.884 -3.853 8.108 580 HZ PHE 75 HZ PHE 75 -4.430 -3.214 10.461 581 H VAL 76 H VAL 76 -0.466 -4.770 4.425 582 HA VAL 76 HA VAL 76 -2.607 -6.573 5.055 583 HB VAL 76 HB VAL 76 -1.011 -6.133 2.518 584 HG11 VAL 76 HG11 VAL 76 -3.050 -8.099 3.236 585 HG12 VAL 76 HG12 VAL 76 -1.992 -8.040 1.827 586 HG13 VAL 76 HG13 VAL 76 -3.499 -7.125 1.837 587 HG21 VAL 76 HG21 VAL 76 -3.692 -5.265 2.309 588 HG22 VAL 76 HG22 VAL 76 -2.249 -4.255 2.397 589 HG23 VAL 76 HG23 VAL 76 -3.116 -4.684 3.871 590 H VAL 77 H VAL 77 0.735 -7.164 3.874 591 HA VAL 77 HA VAL 77 0.468 -10.031 3.982 592 HB VAL 77 HB VAL 77 2.886 -8.206 3.942 593 HG11 VAL 77 HG11 VAL 77 4.010 -10.054 4.600 594 HG12 VAL 77 HG12 VAL 77 3.671 -10.667 2.982 595 HG13 VAL 77 HG13 VAL 77 2.619 -11.102 4.329 596 HG21 VAL 77 HG21 VAL 77 2.661 -8.223 1.685 597 HG22 VAL 77 HG22 VAL 77 1.022 -8.807 1.973 598 HG23 VAL 77 HG23 VAL 77 2.323 -9.954 1.655 599 H GLY 78 H GLY 78 1.843 -7.605 6.174 600 HA2 GLY 78 HA3 GLY 78 2.853 -9.390 8.135 601 HA3 GLY 78 HA2 GLY 78 2.391 -7.721 8.441 602 H ALA 79 H ALA 79 -0.392 -8.088 7.635 603 HA ALA 79 HA ALA 79 -1.460 -8.891 10.174 604 HB1 ALA 79 HB1 ALA 79 -2.806 -8.386 7.511 605 HB2 ALA 79 HB2 ALA 79 -2.631 -7.246 8.845 606 HB3 ALA 79 HB3 ALA 79 -3.678 -8.654 9.020 607 H THR 80 H THR 80 -1.370 -10.546 7.017 608 HA THR 80 HA THR 80 -2.826 -12.845 8.101 609 HB THR 80 HB THR 80 -2.541 -13.817 5.890 610 HG1 THR 80 HG1 THR 80 -0.904 -13.279 4.709 611 HG21 THR 80 HG21 THR 80 -4.199 -12.447 5.244 612 HG22 THR 80 HG22 THR 80 -2.994 -11.261 4.741 613 HG23 THR 80 HG23 THR 80 -3.650 -11.214 6.378 614 H THR 81 H THR 81 0.499 -11.950 7.440 615 HA THR 81 HA THR 81 1.344 -14.454 8.797 616 HB THR 81 HB THR 81 3.407 -14.002 7.102 617 HG1 THR 81 HG1 THR 81 2.539 -13.433 5.115 618 HG21 THR 81 HG21 THR 81 2.473 -15.827 5.742 619 HG22 THR 81 HG22 THR 81 0.885 -15.547 6.459 620 HG23 THR 81 HG23 THR 81 2.214 -16.136 7.459 621 HA PRO 82 HA PRO 82 3.785 -11.791 11.340 622 HB2 PRO 82 HB2 PRO 82 6.075 -13.326 11.645 623 HB3 PRO 82 HB3 PRO 82 4.578 -13.553 12.567 624 HG2 PRO 82 HG3 PRO 82 5.602 -15.055 10.222 625 HG3 PRO 82 HG2 PRO 82 4.693 -15.631 11.628 626 HD2 PRO 82 HD3 PRO 82 3.532 -15.253 9.189 627 HD3 PRO 82 HD2 PRO 82 2.644 -15.047 10.716 628 HA PRO 83 HA PRO 83 6.304 -10.031 7.979 629 HB2 PRO 83 HB2 PRO 83 6.556 -7.517 9.033 630 HB3 PRO 83 HB3 PRO 83 5.147 -8.073 8.116 631 HG2 PRO 83 HG3 PRO 83 5.478 -7.685 11.024 632 HG3 PRO 83 HG2 PRO 83 4.030 -7.535 10.020 633 HD2 PRO 83 HD3 PRO 83 4.629 -9.707 11.670 634 HD3 PRO 83 HD2 PRO 83 3.447 -9.722 10.344 635 H VAL 84 H VAL 84 8.479 -9.469 7.712 636 HA VAL 84 HA VAL 84 10.182 -9.890 10.126 637 HB VAL 84 HB VAL 84 11.991 -10.376 8.503 638 HG11 VAL 84 HG11 VAL 84 10.629 -12.345 7.319 639 HG12 VAL 84 HG12 VAL 84 9.392 -11.852 8.475 640 HG13 VAL 84 HG13 VAL 84 10.975 -12.379 9.047 641 HG21 VAL 84 HG21 VAL 84 11.371 -10.574 6.089 642 HG22 VAL 84 HG22 VAL 84 11.268 -8.916 6.681 643 HG23 VAL 84 HG23 VAL 84 9.799 -9.868 6.465 644 H GLU 85 H GLU 85 11.574 -8.251 10.783 645 HA GLU 85 HA GLU 85 12.187 -5.978 11.016 646 HB2 GLU 85 HB3 GLU 85 12.758 -6.467 8.074 647 HB3 GLU 85 HB2 GLU 85 13.421 -5.141 9.031 648 HG2 GLU 85 HG3 GLU 85 14.465 -6.799 10.563 649 HG3 GLU 85 HG2 GLU 85 13.855 -8.100 9.540 650 H ALA 86 H ALA 86 9.641 -5.729 11.133 651 HA ALA 86 HA ALA 86 8.022 -4.788 9.094 652 HB1 ALA 86 HB1 ALA 86 6.714 -3.685 10.746 653 HB2 ALA 86 HB2 ALA 86 8.116 -3.399 11.776 654 HB3 ALA 86 HB3 ALA 86 7.475 -5.031 11.594 655 H LYS 87 H LYS 87 7.583 -2.698 8.204 656 HA LYS 87 HA LYS 87 9.824 -1.151 7.464 657 HB2 LYS 87 HB3 LYS 87 7.581 -1.138 6.328 658 HB3 LYS 87 HB2 LYS 87 6.962 -0.167 7.664 659 HG2 LYS 87 HG3 LYS 87 8.674 1.562 7.182 660 HG3 LYS 87 HG2 LYS 87 9.240 0.602 5.815 661 HD2 LYS 87 HD3 LYS 87 6.912 0.711 4.863 662 HD3 LYS 87 HD2 LYS 87 6.494 1.836 6.154 663 HE2 LYS 87 HE3 LYS 87 8.111 2.279 3.723 664 HE3 LYS 87 HE2 LYS 87 7.165 3.426 4.671 665 HZ1 LYS 87 HZ1 LYS 87 9.373 4.046 5.009 666 HZ2 LYS 87 HZ2 LYS 87 9.907 2.446 5.178 667 HZ3 LYS 87 HZ3 LYS 87 8.979 3.165 6.407 668 H LEU 88 H LEU 88 7.634 -0.819 10.221 669 HA LEU 88 HA LEU 88 8.977 1.675 11.068 670 HB2 LEU 88 HB3 LEU 88 6.829 0.069 12.487 671 HB3 LEU 88 HB2 LEU 88 7.330 1.718 12.863 672 HG LEU 88 HG LEU 88 6.019 0.776 10.298 673 HD11 LEU 88 HD11 LEU 88 4.990 1.703 12.804 674 HD12 LEU 88 HD12 LEU 88 4.095 1.299 11.339 675 HD13 LEU 88 HD13 LEU 88 4.684 2.944 11.587 676 HD21 LEU 88 HD21 LEU 88 5.988 3.393 9.995 677 HD22 LEU 88 HD22 LEU 88 7.438 2.485 9.563 678 HD23 LEU 88 HD23 LEU 88 7.360 3.344 11.102 679 H GLN 89 H GLN 89 10.371 1.794 12.842 680 HA GLN 89 HA GLN 89 10.894 -0.686 14.385 681 HB2 GLN 89 HB3 GLN 89 13.025 0.858 12.876 682 HB3 GLN 89 HB2 GLN 89 13.343 -0.440 14.027 683 HG2 GLN 89 HG3 GLN 89 11.962 -1.973 12.617 684 HG3 GLN 89 HG2 GLN 89 11.789 -0.675 11.434 685 HE21 GLN 89 HE22 GLN 89 14.802 -0.193 12.714 686 HE22 GLN 89 HE21 GLN 89 15.730 -1.105 11.623 Start of MODEL 5 1 H1 SER -1 H1 SER -1 9.617 -14.810 3.203 2 H2 SER -1 H2 SER -1 8.215 -14.594 4.138 3 H3 SER -1 H3 SER -1 9.316 -13.314 3.943 4 HA SER -1 HA SER -1 8.747 -13.850 1.391 5 HB2 SER -1 HB3 SER -1 6.612 -14.957 3.077 6 HB3 SER -1 HB2 SER -1 6.029 -13.799 1.884 7 HG SER -1 HG SER -1 6.158 -15.950 1.068 8 H GLU 0 H GLU 0 9.183 -11.711 1.029 9 HA GLU 0 HA GLU 0 7.707 -9.678 2.630 10 HB2 GLU 0 HB3 GLU 0 10.206 -9.522 2.473 11 HB3 GLU 0 HB2 GLU 0 10.042 -9.291 0.732 12 HG2 GLU 0 HG3 GLU 0 8.618 -7.295 1.163 13 HG3 GLU 0 HG2 GLU 0 8.893 -7.500 2.892 14 H MET 1 H MET 1 6.183 -8.380 1.659 15 HA MET 1 HA MET 1 4.554 -7.884 0.024 16 HB2 MET 1 HB3 MET 1 7.184 -7.397 -1.400 17 HB3 MET 1 HB2 MET 1 5.618 -6.888 -2.038 18 HG2 MET 1 HG3 MET 1 5.211 -5.562 -0.003 19 HG3 MET 1 HG2 MET 1 6.768 -6.071 0.644 20 HE1 MET 1 HE1 MET 1 7.975 -3.278 0.672 21 HE2 MET 1 HE2 MET 1 6.247 -3.570 0.909 22 HE3 MET 1 HE3 MET 1 6.788 -2.318 -0.206 23 H GLN 2 H GLN 2 3.651 -9.970 -0.268 24 HA GLN 2 HA GLN 2 4.714 -12.039 -1.889 25 HB2 GLN 2 HB3 GLN 2 1.822 -11.287 -1.359 26 HB3 GLN 2 HB2 GLN 2 2.340 -12.805 -2.093 27 HG2 GLN 2 HG3 GLN 2 3.642 -13.358 -0.086 28 HG3 GLN 2 HG2 GLN 2 3.187 -11.819 0.648 29 HE21 GLN 2 HE22 GLN 2 2.504 -14.284 1.914 30 HE22 GLN 2 HE21 GLN 2 0.819 -14.476 1.853 31 H HIS 3 H HIS 3 2.842 -9.164 -2.756 32 HA HIS 3 HA HIS 3 3.712 -9.465 -5.544 33 HB2 HIS 3 HB3 HIS 3 0.753 -9.430 -4.872 34 HB3 HIS 3 HB2 HIS 3 1.456 -9.451 -6.489 35 HD1 HIS 3 HD1 HIS 3 3.113 -11.635 -6.916 36 HD2 HIS 3 HD2 HIS 3 0.261 -11.967 -3.889 37 HE1 HIS 3 HE1 HIS 3 2.855 -14.111 -6.439 38 HE2 HIS 3 HE2 HIS 3 1.122 -14.324 -4.600 39 H ALA 4 H ALA 4 4.614 -7.463 -4.146 40 HA ALA 4 HA ALA 4 2.933 -5.194 -3.745 41 HB1 ALA 4 HB1 ALA 4 4.946 -4.816 -2.720 42 HB2 ALA 4 HB2 ALA 4 5.315 -4.028 -4.253 43 HB3 ALA 4 HB3 ALA 4 5.856 -5.680 -3.959 44 H SER 5 H SER 5 4.672 -6.371 -6.589 45 HA SER 5 HA SER 5 4.421 -4.063 -8.220 46 HB2 SER 5 HB3 SER 5 4.292 -6.954 -9.118 47 HB3 SER 5 HB2 SER 5 4.724 -5.567 -10.115 48 HG SER 5 HG SER 5 6.273 -5.424 -8.032 49 H VAL 6 H VAL 6 2.140 -6.717 -7.614 50 HA VAL 6 HA VAL 6 0.209 -5.878 -9.568 51 HB VAL 6 HB VAL 6 -0.046 -7.516 -7.048 52 HG11 VAL 6 HG11 VAL 6 -2.104 -6.782 -9.140 53 HG12 VAL 6 HG12 VAL 6 -2.217 -6.565 -7.394 54 HG13 VAL 6 HG13 VAL 6 -2.279 -8.185 -8.087 55 HG21 VAL 6 HG21 VAL 6 1.248 -8.552 -8.850 56 HG22 VAL 6 HG22 VAL 6 -0.040 -8.199 -10.002 57 HG23 VAL 6 HG23 VAL 6 -0.313 -9.360 -8.704 58 H ILE 7 H ILE 7 0.486 -5.271 -6.076 59 HA ILE 7 HA ILE 7 -1.864 -3.712 -5.802 60 HB ILE 7 HB ILE 7 0.761 -3.472 -4.303 61 HG12 ILE 7 HG13 ILE 7 -1.752 -5.014 -3.587 62 HG13 ILE 7 HG12 ILE 7 -0.342 -5.751 -4.350 63 HG21 ILE 7 HG21 ILE 7 -1.160 -2.801 -2.527 64 HG22 ILE 7 HG22 ILE 7 -1.922 -2.221 -4.008 65 HG23 ILE 7 HG23 ILE 7 -0.337 -1.609 -3.535 66 HD11 ILE 7 HD11 ILE 7 -0.229 -6.061 -1.923 67 HD12 ILE 7 HD12 ILE 7 -0.382 -4.323 -1.675 68 HD13 ILE 7 HD13 ILE 7 1.061 -4.981 -2.448 69 H ALA 8 H ALA 8 1.499 -2.650 -6.393 70 HA ALA 8 HA ALA 8 0.879 0.129 -6.618 71 HB1 ALA 8 HB1 ALA 8 3.183 -1.340 -6.586 72 HB2 ALA 8 HB2 ALA 8 3.102 0.370 -7.008 73 HB3 ALA 8 HB3 ALA 8 3.109 -0.852 -8.280 74 H GLN 9 H GLN 9 1.099 -2.424 -9.110 75 HA GLN 9 HA GLN 9 0.680 -0.627 -11.318 76 HB2 GLN 9 HB3 GLN 9 1.665 -2.891 -11.551 77 HB3 GLN 9 HB2 GLN 9 0.101 -3.595 -11.142 78 HG2 GLN 9 HG3 GLN 9 -0.908 -2.444 -13.099 79 HG3 GLN 9 HG2 GLN 9 0.683 -1.812 -13.522 80 HE21 GLN 9 HE22 GLN 9 -1.267 -3.993 -14.735 81 HE22 GLN 9 HE21 GLN 9 -0.208 -5.273 -15.082 82 H PHE 10 H PHE 10 -1.576 -2.789 -9.583 83 HA PHE 10 HA PHE 10 -3.840 -1.935 -11.158 84 HB2 PHE 10 HB3 PHE 10 -4.678 -3.781 -10.206 85 HB3 PHE 10 HB2 PHE 10 -3.326 -3.848 -9.079 86 HD1 PHE 10 HD2 PHE 10 -3.423 -2.544 -6.945 87 HD2 PHE 10 HD1 PHE 10 -6.822 -2.969 -9.527 88 HE1 PHE 10 HE2 PHE 10 -4.909 -1.860 -5.090 89 HE2 PHE 10 HE1 PHE 10 -8.317 -2.280 -7.673 90 HZ PHE 10 HZ PHE 10 -7.362 -1.725 -5.453 91 H VAL 11 H VAL 11 -2.680 -1.026 -7.912 92 HA VAL 11 HA VAL 11 -4.855 0.690 -7.278 93 HB VAL 11 HB VAL 11 -2.975 -0.124 -5.738 94 HG11 VAL 11 HG11 VAL 11 -0.976 1.175 -5.610 95 HG12 VAL 11 HG12 VAL 11 -1.613 2.396 -6.711 96 HG13 VAL 11 HG13 VAL 11 -1.190 0.796 -7.316 97 HG21 VAL 11 HG21 VAL 11 -3.192 1.848 -4.301 98 HG22 VAL 11 HG22 VAL 11 -4.732 1.527 -5.097 99 HG23 VAL 11 HG23 VAL 11 -3.692 2.825 -5.680 100 H VAL 12 H VAL 12 -1.711 1.517 -8.821 101 HA VAL 12 HA VAL 12 -2.336 4.298 -9.089 102 HB VAL 12 HB VAL 12 -0.043 3.267 -9.362 103 HG11 VAL 12 HG11 VAL 12 0.557 2.365 -11.536 104 HG12 VAL 12 HG12 VAL 12 -1.073 2.636 -12.144 105 HG13 VAL 12 HG13 VAL 12 -0.789 1.435 -10.886 106 HG21 VAL 12 HG21 VAL 12 0.326 4.736 -11.582 107 HG22 VAL 12 HG22 VAL 12 0.019 5.474 -10.011 108 HG23 VAL 12 HG23 VAL 12 -1.299 5.280 -11.167 109 H GLU 13 H GLU 13 -2.949 1.517 -11.237 110 HA GLU 13 HA GLU 13 -3.931 3.090 -13.416 111 HB2 GLU 13 HB3 GLU 13 -4.401 0.235 -12.587 112 HB3 GLU 13 HB2 GLU 13 -5.103 0.921 -14.046 113 HG2 GLU 13 HG3 GLU 13 -2.856 1.533 -14.845 114 HG3 GLU 13 HG2 GLU 13 -2.154 0.824 -13.396 115 H GLU 14 H GLU 14 -5.500 1.758 -10.542 116 HA GLU 14 HA GLU 14 -8.191 2.325 -11.359 117 HB2 GLU 14 HB3 GLU 14 -7.573 0.820 -9.463 118 HB3 GLU 14 HB2 GLU 14 -7.087 2.242 -8.539 119 HG2 GLU 14 HG3 GLU 14 -9.388 3.161 -8.794 120 HG3 GLU 14 HG2 GLU 14 -9.861 1.677 -9.625 121 H PHE 15 H PHE 15 -5.818 4.233 -9.510 122 HA PHE 15 HA PHE 15 -7.725 6.490 -9.389 123 HB2 PHE 15 HB3 PHE 15 -4.930 6.119 -8.282 124 HB3 PHE 15 HB2 PHE 15 -5.859 7.609 -8.111 125 HD1 PHE 15 HD1 PHE 15 -8.140 7.503 -6.978 126 HD2 PHE 15 HD2 PHE 15 -5.313 4.273 -6.844 127 HE1 PHE 15 HE1 PHE 15 -9.328 6.545 -5.023 128 HE2 PHE 15 HE2 PHE 15 -6.502 3.313 -4.892 129 HZ PHE 15 HZ PHE 15 -8.509 4.449 -3.981 130 H LEU 16 H LEU 16 -4.510 5.798 -10.781 131 HA LEU 16 HA LEU 16 -4.912 8.163 -12.567 132 HB2 LEU 16 HB3 LEU 16 -2.561 7.185 -11.031 133 HB3 LEU 16 HB2 LEU 16 -2.256 7.870 -12.625 134 HG LEU 16 HG LEU 16 -3.989 9.283 -10.598 135 HD11 LEU 16 HD11 LEU 16 -1.617 10.645 -10.561 136 HD12 LEU 16 HD12 LEU 16 -1.050 8.979 -10.680 137 HD13 LEU 16 HD13 LEU 16 -2.096 9.462 -9.344 138 HD21 LEU 16 HD21 LEU 16 -4.103 10.900 -12.177 139 HD22 LEU 16 HD22 LEU 16 -3.416 9.725 -13.297 140 HD23 LEU 16 HD23 LEU 16 -2.361 10.852 -12.446 141 HA PRO 17 HA PRO 17 -4.586 4.326 -15.183 142 HB2 PRO 17 HB2 PRO 17 -6.504 5.110 -16.997 143 HB3 PRO 17 HB3 PRO 17 -6.831 4.140 -15.550 144 HG2 PRO 17 HG3 PRO 17 -7.323 7.006 -16.052 145 HG3 PRO 17 HG2 PRO 17 -8.207 5.865 -15.031 146 HD2 PRO 17 HD3 PRO 17 -6.452 7.786 -14.092 147 HD3 PRO 17 HD2 PRO 17 -6.916 6.326 -13.199 148 H ASP 18 H ASP 18 -4.270 7.711 -15.756 149 HA ASP 18 HA ASP 18 -3.187 7.289 -18.475 150 HB2 ASP 18 HB3 ASP 18 -3.751 9.772 -16.855 151 HB3 ASP 18 HB2 ASP 18 -3.024 9.797 -18.457 152 H VAL 19 H VAL 19 -1.933 6.774 -15.562 153 HA VAL 19 HA VAL 19 0.685 8.081 -16.209 154 HB VAL 19 HB VAL 19 -0.308 7.098 -13.518 155 HG11 VAL 19 HG11 VAL 19 1.700 8.813 -12.984 156 HG12 VAL 19 HG12 VAL 19 2.250 8.220 -14.551 157 HG13 VAL 19 HG13 VAL 19 1.970 7.088 -13.228 158 HG21 VAL 19 HG21 VAL 19 -1.538 9.093 -14.437 159 HG22 VAL 19 HG22 VAL 19 0.006 9.940 -14.533 160 HG23 VAL 19 HG23 VAL 19 -0.631 9.442 -12.966 161 H ALA 20 H ALA 20 2.437 6.764 -16.510 162 HA ALA 20 HA ALA 20 2.012 3.910 -16.779 163 HB1 ALA 20 HB1 ALA 20 4.462 3.880 -17.295 164 HB2 ALA 20 HB2 ALA 20 4.522 5.598 -16.900 165 HB3 ALA 20 HB3 ALA 20 3.561 5.041 -18.269 166 HA PRO 21 HA PRO 21 2.704 3.135 -12.347 167 HB2 PRO 21 HB2 PRO 21 3.337 0.403 -13.343 168 HB3 PRO 21 HB3 PRO 21 2.204 0.903 -12.076 169 HG2 PRO 21 HG3 PRO 21 1.405 0.100 -14.515 170 HG3 PRO 21 HG2 PRO 21 0.516 1.291 -13.554 171 HD2 PRO 21 HD3 PRO 21 2.146 1.694 -15.996 172 HD3 PRO 21 HD2 PRO 21 0.821 2.681 -15.338 173 H ALA 22 H ALA 22 4.889 1.952 -14.891 174 HA ALA 22 HA ALA 22 7.140 1.506 -13.155 175 HB1 ALA 22 HB1 ALA 22 6.598 1.070 -15.837 176 HB2 ALA 22 HB2 ALA 22 8.163 0.831 -15.063 177 HB3 ALA 22 HB3 ALA 22 7.808 2.351 -15.884 178 H ASP 23 H ASP 23 5.709 4.336 -14.546 179 HA ASP 23 HA ASP 23 8.107 5.986 -14.109 180 HB2 ASP 23 HB3 ASP 23 5.302 6.658 -15.034 181 HB3 ASP 23 HB2 ASP 23 6.595 7.846 -14.873 182 H VAL 24 H VAL 24 6.034 4.653 -12.015 183 HA VAL 24 HA VAL 24 5.733 7.122 -10.350 184 HB VAL 24 HB VAL 24 4.474 4.423 -9.838 185 HG11 VAL 24 HG11 VAL 24 2.813 5.932 -8.644 186 HG12 VAL 24 HG12 VAL 24 3.953 7.253 -8.899 187 HG13 VAL 24 HG13 VAL 24 4.420 5.860 -7.922 188 HG21 VAL 24 HG21 VAL 24 2.449 5.313 -10.949 189 HG22 VAL 24 HG22 VAL 24 3.797 5.215 -12.082 190 HG23 VAL 24 HG23 VAL 24 3.336 6.772 -11.394 191 H ASP 25 H ASP 25 7.048 7.318 -8.585 192 HA ASP 25 HA ASP 25 8.815 5.045 -7.917 193 HB2 ASP 25 HB3 ASP 25 8.713 7.906 -6.908 194 HB3 ASP 25 HB2 ASP 25 9.912 6.713 -6.404 195 H VAL 26 H VAL 26 8.182 3.631 -6.346 196 HA VAL 26 HA VAL 26 5.950 4.279 -4.577 197 HB VAL 26 HB VAL 26 6.262 2.017 -3.726 198 HG11 VAL 26 HG11 VAL 26 5.475 2.603 -6.220 199 HG12 VAL 26 HG12 VAL 26 5.584 0.939 -5.644 200 HG13 VAL 26 HG13 VAL 26 6.889 1.623 -6.612 201 HG21 VAL 26 HG21 VAL 26 8.975 2.492 -4.671 202 HG22 VAL 26 HG22 VAL 26 8.346 0.952 -5.257 203 HG23 VAL 26 HG23 VAL 26 8.390 1.286 -3.526 204 H ASP 27 H ASP 27 9.061 5.255 -4.561 205 HA ASP 27 HA ASP 27 9.669 4.827 -1.722 206 HB2 ASP 27 HB3 ASP 27 11.009 6.477 -3.885 207 HB3 ASP 27 HB2 ASP 27 11.624 6.314 -2.244 208 H LEU 28 H LEU 28 7.994 7.113 -3.669 209 HA LEU 28 HA LEU 28 8.211 9.274 -1.672 210 HB2 LEU 28 HB3 LEU 28 8.165 9.788 -4.108 211 HB3 LEU 28 HB2 LEU 28 6.543 9.112 -4.202 212 HG LEU 28 HG LEU 28 5.830 10.780 -2.448 213 HD11 LEU 28 HD11 LEU 28 7.503 12.823 -2.459 214 HD12 LEU 28 HD12 LEU 28 8.701 11.579 -2.816 215 HD13 LEU 28 HD13 LEU 28 7.748 11.487 -1.335 216 HD21 LEU 28 HD21 LEU 28 7.005 11.863 -5.028 217 HD22 LEU 28 HD22 LEU 28 5.827 12.710 -4.027 218 HD23 LEU 28 HD23 LEU 28 5.385 11.197 -4.820 219 H ASP 29 H ASP 29 6.591 9.769 -0.209 220 HA ASP 29 HA ASP 29 4.743 7.752 0.535 221 HB2 ASP 29 HB3 ASP 29 4.718 10.734 1.107 222 HB3 ASP 29 HB2 ASP 29 3.656 9.570 1.898 223 H LEU 30 H LEU 30 2.682 7.339 -0.045 224 HA LEU 30 HA LEU 30 1.677 8.286 -2.546 225 HB2 LEU 30 HB3 LEU 30 1.204 6.094 -1.126 226 HB3 LEU 30 HB2 LEU 30 -0.129 7.060 -0.500 227 HG LEU 30 HG LEU 30 0.420 6.590 -3.441 228 HD11 LEU 30 HD11 LEU 30 -0.730 4.873 -1.495 229 HD12 LEU 30 HD12 LEU 30 -0.706 4.655 -3.246 230 HD13 LEU 30 HD13 LEU 30 -2.056 5.492 -2.480 231 HD21 LEU 30 HD21 LEU 30 -0.814 8.539 -3.437 232 HD22 LEU 30 HD22 LEU 30 -1.548 8.196 -1.872 233 HD23 LEU 30 HD23 LEU 30 -2.134 7.378 -3.320 234 H VAL 31 H VAL 31 0.916 9.123 0.816 235 HA VAL 31 HA VAL 31 -1.379 10.718 0.259 236 HB VAL 31 HB VAL 31 0.636 10.892 2.509 237 HG11 VAL 31 HG11 VAL 31 -1.730 11.982 3.407 238 HG12 VAL 31 HG12 VAL 31 -1.650 12.587 1.751 239 HG13 VAL 31 HG13 VAL 31 -0.332 12.917 2.876 240 HG21 VAL 31 HG21 VAL 31 -0.500 9.125 3.330 241 HG22 VAL 31 HG22 VAL 31 -1.464 9.078 1.852 242 HG23 VAL 31 HG23 VAL 31 -2.007 10.036 3.231 243 H ASP 32 H ASP 32 2.070 11.505 0.183 244 HA ASP 32 HA ASP 32 1.906 14.315 0.090 245 HB2 ASP 32 HB3 ASP 32 3.728 12.438 -1.452 246 HB3 ASP 32 HB2 ASP 32 3.956 14.186 -1.378 247 H ASN 33 H ASN 33 1.187 11.900 -2.350 248 HA ASN 33 HA ASN 33 0.843 13.745 -4.545 249 HB2 ASN 33 HB3 ASN 33 -0.168 10.947 -4.044 250 HB3 ASN 33 HB2 ASN 33 -0.403 11.805 -5.560 251 HD21 ASN 33 HD22 ASN 33 1.133 9.396 -5.477 252 HD22 ASN 33 HD21 ASN 33 2.756 9.777 -5.789 253 H GLY 34 H GLY 34 -1.286 12.433 -2.052 254 HA2 GLY 34 HA3 GLY 34 -3.319 13.417 -1.284 255 HA3 GLY 34 HA2 GLY 34 -3.261 14.537 -2.649 256 H VAL 35 H VAL 35 -2.641 11.440 -3.732 257 HA VAL 35 HA VAL 35 -5.035 11.264 -5.273 258 HB VAL 35 HB VAL 35 -3.029 9.134 -4.480 259 HG11 VAL 35 HG11 VAL 35 -4.116 8.178 -6.737 260 HG12 VAL 35 HG12 VAL 35 -5.519 9.049 -6.120 261 HG13 VAL 35 HG13 VAL 35 -4.770 7.782 -5.147 262 HG21 VAL 35 HG21 VAL 35 -2.619 11.297 -6.052 263 HG22 VAL 35 HG22 VAL 35 -3.292 10.190 -7.248 264 HG23 VAL 35 HG23 VAL 35 -1.841 9.743 -6.349 265 H ILE 36 H ILE 36 -4.150 9.984 -2.104 266 HA ILE 36 HA ILE 36 -6.622 8.418 -1.896 267 HB ILE 36 HB ILE 36 -4.527 9.114 0.185 268 HG12 ILE 36 HG13 ILE 36 -4.980 6.542 -1.356 269 HG13 ILE 36 HG12 ILE 36 -3.772 7.743 -1.782 270 HG21 ILE 36 HG21 ILE 36 -5.909 6.701 0.740 271 HG22 ILE 36 HG22 ILE 36 -7.133 7.921 0.393 272 HG23 ILE 36 HG23 ILE 36 -5.948 8.199 1.670 273 HD11 ILE 36 HD11 ILE 36 -3.818 5.834 0.493 274 HD12 ILE 36 HD12 ILE 36 -3.160 7.435 0.824 275 HD13 ILE 36 HD13 ILE 36 -2.444 6.433 -0.436 276 H ASP 37 H ASP 37 -8.492 9.454 -1.553 277 HA ASP 37 HA ASP 37 -8.513 11.845 0.233 278 HB2 ASP 37 HB3 ASP 37 -10.237 11.142 -2.158 279 HB3 ASP 37 HB2 ASP 37 -10.587 12.468 -1.057 280 H ALA 38 H ALA 38 -11.381 11.881 0.424 281 HA ALA 38 HA ALA 38 -11.775 10.019 2.573 282 HB1 ALA 38 HB1 ALA 38 -14.298 10.677 2.028 283 HB2 ALA 38 HB2 ALA 38 -13.516 11.916 1.047 284 HB3 ALA 38 HB3 ALA 38 -13.202 11.836 2.780 285 H LEU 39 H LEU 39 -13.175 10.129 -0.708 286 HA LEU 39 HA LEU 39 -14.320 7.489 -0.531 287 HB2 LEU 39 HB3 LEU 39 -13.672 9.323 -2.842 288 HB3 LEU 39 HB2 LEU 39 -14.385 7.733 -3.082 289 HG LEU 39 HG LEU 39 -15.986 9.753 -2.934 290 HD11 LEU 39 HD11 LEU 39 -16.157 7.065 -1.815 291 HD12 LEU 39 HD12 LEU 39 -17.340 7.959 -2.769 292 HD13 LEU 39 HD13 LEU 39 -17.267 8.182 -1.021 293 HD21 LEU 39 HD21 LEU 39 -14.853 10.730 -0.909 294 HD22 LEU 39 HD22 LEU 39 -15.475 9.373 0.031 295 HD23 LEU 39 HD23 LEU 39 -16.590 10.510 -0.720 296 H GLY 40 H GLY 40 -11.269 8.874 -1.519 297 HA2 GLY 40 HA3 GLY 40 -10.146 6.651 -2.868 298 HA3 GLY 40 HA2 GLY 40 -9.216 7.879 -2.003 299 H LEU 41 H LEU 41 -10.110 7.524 0.586 300 HA LEU 41 HA LEU 41 -8.611 5.244 1.449 301 HB2 LEU 41 HB3 LEU 41 -8.999 7.293 2.820 302 HB3 LEU 41 HB2 LEU 41 -10.694 6.831 2.982 303 HG LEU 41 HG LEU 41 -8.727 4.725 3.676 304 HD11 LEU 41 HD11 LEU 41 -8.630 5.889 6.029 305 HD12 LEU 41 HD12 LEU 41 -8.924 7.362 5.104 306 HD13 LEU 41 HD13 LEU 41 -7.495 6.383 4.771 307 HD21 LEU 41 HD21 LEU 41 -11.366 4.876 3.919 308 HD22 LEU 41 HD22 LEU 41 -10.963 5.733 5.407 309 HD23 LEU 41 HD23 LEU 41 -10.403 4.078 5.162 310 H LEU 42 H LEU 42 -12.070 5.844 0.994 311 HA LEU 42 HA LEU 42 -13.048 3.418 2.118 312 HB2 LEU 42 HB3 LEU 42 -14.513 5.296 1.447 313 HB3 LEU 42 HB2 LEU 42 -14.114 5.003 -0.244 314 HG LEU 42 HG LEU 42 -14.928 2.521 0.497 315 HD11 LEU 42 HD11 LEU 42 -16.916 4.287 1.887 316 HD12 LEU 42 HD12 LEU 42 -15.513 3.689 2.772 317 HD13 LEU 42 HD13 LEU 42 -16.658 2.551 2.062 318 HD21 LEU 42 HD21 LEU 42 -16.415 4.895 -0.601 319 HD22 LEU 42 HD22 LEU 42 -17.224 3.340 -0.410 320 HD23 LEU 42 HD23 LEU 42 -15.810 3.474 -1.457 321 H LYS 43 H LYS 43 -12.035 4.210 -1.190 322 HA LYS 43 HA LYS 43 -12.547 1.671 -2.341 323 HB2 LYS 43 HB3 LYS 43 -10.465 3.748 -3.027 324 HB3 LYS 43 HB2 LYS 43 -10.822 2.350 -4.031 325 HG2 LYS 43 HG3 LYS 43 -13.203 3.097 -4.153 326 HG3 LYS 43 HG2 LYS 43 -12.756 4.550 -3.258 327 HD2 LYS 43 HD3 LYS 43 -11.098 5.094 -5.046 328 HD3 LYS 43 HD2 LYS 43 -11.673 3.698 -5.961 329 HE2 LYS 43 HE3 LYS 43 -12.728 5.888 -6.644 330 HE3 LYS 43 HE2 LYS 43 -13.884 4.648 -6.156 331 HZ1 LYS 43 HZ1 LYS 43 -14.236 5.670 -4.114 332 HZ2 LYS 43 HZ2 LYS 43 -14.163 6.975 -5.195 333 HZ3 LYS 43 HZ3 LYS 43 -12.822 6.608 -4.218 334 H VAL 44 H VAL 44 -9.772 2.897 -0.527 335 HA VAL 44 HA VAL 44 -7.968 0.764 -1.039 336 HB VAL 44 HB VAL 44 -8.298 2.528 1.394 337 HG11 VAL 44 HG11 VAL 44 -7.047 0.827 2.330 338 HG12 VAL 44 HG12 VAL 44 -5.748 1.730 1.550 339 HG13 VAL 44 HG13 VAL 44 -6.416 0.295 0.772 340 HG21 VAL 44 HG21 VAL 44 -6.612 3.871 0.425 341 HG22 VAL 44 HG22 VAL 44 -7.641 3.448 -0.943 342 HG23 VAL 44 HG23 VAL 44 -6.116 2.598 -0.690 343 H ILE 45 H ILE 45 -10.369 1.170 1.553 344 HA ILE 45 HA ILE 45 -9.837 -1.369 2.783 345 HB ILE 45 HB ILE 45 -12.000 0.685 2.945 346 HG12 ILE 45 HG13 ILE 45 -11.362 0.539 5.352 347 HG13 ILE 45 HG12 ILE 45 -10.199 -0.720 4.944 348 HG21 ILE 45 HG21 ILE 45 -12.193 -2.187 3.840 349 HG22 ILE 45 HG22 ILE 45 -13.389 -1.222 2.974 350 HG23 ILE 45 HG23 ILE 45 -13.068 -0.907 4.680 351 HD11 ILE 45 HD11 ILE 45 -8.749 0.751 3.937 352 HD12 ILE 45 HD12 ILE 45 -9.520 1.882 5.050 353 HD13 ILE 45 HD13 ILE 45 -10.047 1.801 3.370 354 H ALA 46 H ALA 46 -12.025 -0.373 0.181 355 HA ALA 46 HA ALA 46 -13.622 -2.755 0.174 356 HB1 ALA 46 HB1 ALA 46 -14.304 -0.673 -0.956 357 HB2 ALA 46 HB2 ALA 46 -14.317 -2.038 -2.072 358 HB3 ALA 46 HB3 ALA 46 -12.992 -0.876 -2.117 359 H TRP 47 H TRP 47 -10.786 -1.880 -1.866 360 HA TRP 47 HA TRP 47 -10.802 -4.557 -3.057 361 HB2 TRP 47 HB3 TRP 47 -9.662 -3.461 -4.652 362 HB3 TRP 47 HB2 TRP 47 -9.543 -2.038 -3.618 363 HD1 TRP 47 HD1 TRP 47 -7.776 -5.474 -3.958 364 HE1 TRP 47 HE1 TRP 47 -5.277 -5.133 -3.405 365 HE3 TRP 47 HE3 TRP 47 -7.811 -0.527 -2.820 366 HZ2 TRP 47 HZ2 TRP 47 -3.526 -3.018 -2.584 367 HZ3 TRP 47 HZ3 TRP 47 -5.727 0.645 -2.154 368 HH2 TRP 47 HH2 TRP 47 -3.583 -0.596 -2.038 369 H LEU 48 H LEU 48 -8.834 -2.812 -0.678 370 HA LEU 48 HA LEU 48 -6.865 -4.812 -0.291 371 HB2 LEU 48 HB3 LEU 48 -6.809 -2.465 0.617 372 HB3 LEU 48 HB2 LEU 48 -7.994 -2.956 1.822 373 HG LEU 48 HG LEU 48 -5.595 -4.686 1.592 374 HD11 LEU 48 HD11 LEU 48 -4.512 -2.929 3.255 375 HD12 LEU 48 HD12 LEU 48 -5.504 -1.787 2.351 376 HD13 LEU 48 HD13 LEU 48 -4.295 -2.761 1.513 377 HD21 LEU 48 HD21 LEU 48 -7.287 -5.131 3.293 378 HD22 LEU 48 HD22 LEU 48 -7.183 -3.471 3.879 379 HD23 LEU 48 HD23 LEU 48 -5.821 -4.569 4.091 380 H GLU 49 H GLU 49 -10.053 -4.394 1.266 381 HA GLU 49 HA GLU 49 -9.696 -6.662 3.027 382 HB2 GLU 49 HB3 GLU 49 -11.920 -6.258 3.700 383 HB3 GLU 49 HB2 GLU 49 -11.309 -4.665 3.287 384 HG2 GLU 49 HG3 GLU 49 -12.282 -4.988 0.995 385 HG3 GLU 49 HG2 GLU 49 -13.040 -6.451 1.592 386 H ASP 50 H ASP 50 -11.146 -6.166 -0.160 387 HA ASP 50 HA ASP 50 -12.445 -8.668 -0.429 388 HB2 ASP 50 HB3 ASP 50 -12.627 -6.706 -1.990 389 HB3 ASP 50 HB2 ASP 50 -11.047 -7.152 -2.630 390 H ARG 51 H ARG 51 -9.055 -7.798 -1.039 391 HA ARG 51 HA ARG 51 -8.292 -10.217 -2.305 392 HB2 ARG 51 HB3 ARG 51 -6.711 -8.281 -0.624 393 HB3 ARG 51 HB2 ARG 51 -5.983 -9.611 -1.516 394 HG2 ARG 51 HG3 ARG 51 -7.059 -8.720 -3.602 395 HG3 ARG 51 HG2 ARG 51 -7.588 -7.322 -2.667 396 HD2 ARG 51 HD3 ARG 51 -4.713 -8.194 -3.063 397 HD3 ARG 51 HD2 ARG 51 -5.491 -6.825 -3.857 398 HE ARG 51 HE ARG 51 -5.862 -6.268 -1.190 399 HH11 ARG 51 HH22 ARG 51 -3.175 -7.194 -3.141 400 HH12 ARG 51 HH21 ARG 51 -2.014 -6.343 -2.180 401 HH21 ARG 51 HH11 ARG 51 -4.361 -5.151 0.077 402 HH22 ARG 51 HH12 ARG 51 -2.685 -5.186 -0.357 403 H PHE 52 H PHE 52 -8.344 -9.404 1.183 404 HA PHE 52 HA PHE 52 -7.591 -12.238 1.721 405 HB2 PHE 52 HB3 PHE 52 -7.391 -9.701 3.333 406 HB3 PHE 52 HB2 PHE 52 -7.287 -11.284 4.100 407 HD1 PHE 52 HD1 PHE 52 -5.838 -9.255 1.315 408 HD2 PHE 52 HD2 PHE 52 -5.263 -12.489 4.082 409 HE1 PHE 52 HE1 PHE 52 -3.476 -9.456 0.589 410 HE2 PHE 52 HE2 PHE 52 -2.900 -12.688 3.359 411 HZ PHE 52 HZ PHE 52 -2.007 -11.171 1.613 412 H GLY 53 H GLY 53 -10.266 -10.136 1.707 413 HA2 GLY 53 HA3 GLY 53 -12.501 -10.562 2.288 414 HA3 GLY 53 HA2 GLY 53 -12.016 -12.211 2.691 415 H ILE 54 H ILE 54 -10.463 -9.397 4.101 416 HA ILE 54 HA ILE 54 -11.432 -10.332 6.742 417 HB ILE 54 HB ILE 54 -9.654 -8.741 7.606 418 HG12 ILE 54 HG13 ILE 54 -8.927 -8.657 4.659 419 HG13 ILE 54 HG12 ILE 54 -9.584 -7.304 5.578 420 HG21 ILE 54 HG21 ILE 54 -9.207 -11.124 7.432 421 HG22 ILE 54 HG22 ILE 54 -7.781 -10.246 6.882 422 HG23 ILE 54 HG23 ILE 54 -8.877 -10.973 5.707 423 HD11 ILE 54 HD11 ILE 54 -7.609 -7.602 7.168 424 HD12 ILE 54 HD12 ILE 54 -7.221 -6.983 5.563 425 HD13 ILE 54 HD13 ILE 54 -6.918 -8.676 5.951 426 H ALA 55 H ALA 55 -12.928 -9.181 7.877 427 HA ALA 55 HA ALA 55 -14.248 -6.925 6.678 428 HB1 ALA 55 HB1 ALA 55 -15.469 -6.787 8.834 429 HB2 ALA 55 HB2 ALA 55 -14.346 -7.954 9.531 430 HB3 ALA 55 HB3 ALA 55 -15.419 -8.439 8.218 431 H ALA 56 H ALA 56 -13.901 -4.753 6.962 432 HA ALA 56 HA ALA 56 -11.413 -3.849 8.075 433 HB1 ALA 56 HB1 ALA 56 -12.067 -1.701 7.392 434 HB2 ALA 56 HB2 ALA 56 -13.777 -2.032 7.662 435 HB3 ALA 56 HB3 ALA 56 -12.950 -2.740 6.275 436 H ASP 57 H ASP 57 -14.678 -4.114 9.351 437 HA ASP 57 HA ASP 57 -14.453 -2.438 11.614 438 HB2 ASP 57 HB3 ASP 57 -16.535 -3.624 10.817 439 HB3 ASP 57 HB2 ASP 57 -15.891 -5.090 11.550 440 H ASP 58 H ASP 58 -13.332 -5.759 11.123 441 HA ASP 58 HA ASP 58 -12.675 -6.407 13.790 442 HB2 ASP 58 HB3 ASP 58 -12.552 -7.946 11.792 443 HB3 ASP 58 HB2 ASP 58 -11.033 -7.158 11.371 444 H VAL 59 H VAL 59 -10.812 -4.583 11.383 445 HA VAL 59 HA VAL 59 -9.038 -3.673 13.610 446 HB VAL 59 HB VAL 59 -8.176 -4.225 10.767 447 HG11 VAL 59 HG11 VAL 59 -6.406 -2.944 11.313 448 HG12 VAL 59 HG12 VAL 59 -6.006 -4.110 12.574 449 HG13 VAL 59 HG13 VAL 59 -7.030 -2.722 12.947 450 HG21 VAL 59 HG21 VAL 59 -7.028 -6.171 11.652 451 HG22 VAL 59 HG22 VAL 59 -8.724 -6.276 12.121 452 HG23 VAL 59 HG23 VAL 59 -7.515 -5.759 13.296 453 H GLU 60 H GLU 60 -8.784 -1.463 13.712 454 HA GLU 60 HA GLU 60 -10.253 0.134 11.696 455 HB2 GLU 60 HB3 GLU 60 -10.562 0.557 14.148 456 HB3 GLU 60 HB2 GLU 60 -8.877 1.053 14.236 457 HG2 GLU 60 HG3 GLU 60 -9.338 2.788 12.519 458 HG3 GLU 60 HG2 GLU 60 -11.037 2.334 12.559 459 H LEU 61 H LEU 61 -9.209 1.302 10.137 460 HA LEU 61 HA LEU 61 -6.251 1.249 10.149 461 HB2 LEU 61 HB3 LEU 61 -8.170 2.063 7.948 462 HB3 LEU 61 HB2 LEU 61 -6.441 1.800 7.785 463 HG LEU 61 HG LEU 61 -8.499 -0.281 8.526 464 HD11 LEU 61 HD11 LEU 61 -7.856 0.662 6.043 465 HD12 LEU 61 HD12 LEU 61 -8.421 -0.979 6.360 466 HD13 LEU 61 HD13 LEU 61 -6.694 -0.652 6.220 467 HD21 LEU 61 HD21 LEU 61 -6.335 -1.748 8.150 468 HD22 LEU 61 HD22 LEU 61 -6.624 -0.990 9.716 469 HD23 LEU 61 HD23 LEU 61 -5.499 -0.255 8.575 470 H SER 62 H SER 62 -5.042 3.123 10.224 471 HA SER 62 HA SER 62 -6.554 5.658 10.645 472 HB2 SER 62 HB3 SER 62 -5.320 5.744 12.540 473 HB3 SER 62 HB2 SER 62 -4.290 4.419 12.009 474 HG SER 62 HG SER 62 -3.268 6.029 10.616 475 HA PRO 63 HA PRO 63 -4.917 7.497 7.014 476 HB2 PRO 63 HB2 PRO 63 -3.749 9.817 8.138 477 HB3 PRO 63 HB3 PRO 63 -5.401 9.659 7.521 478 HG2 PRO 63 HG3 PRO 63 -4.408 9.582 10.299 479 HG3 PRO 63 HG2 PRO 63 -5.978 10.103 9.669 480 HD2 PRO 63 HD3 PRO 63 -5.655 7.746 10.985 481 HD3 PRO 63 HD2 PRO 63 -6.853 7.954 9.686 482 H GLU 64 H GLU 64 -2.819 7.014 9.764 483 HA GLU 64 HA GLU 64 -0.331 7.616 8.441 484 HB2 GLU 64 HB3 GLU 64 -0.955 5.910 10.856 485 HB3 GLU 64 HB2 GLU 64 0.666 6.351 10.348 486 HG2 GLU 64 HG3 GLU 64 0.054 8.741 10.554 487 HG3 GLU 64 HG2 GLU 64 -1.532 8.261 11.143 488 H HIS 65 H HIS 65 -2.423 4.828 8.585 489 HA HIS 65 HA HIS 65 -0.511 2.869 7.739 490 HB2 HIS 65 HB3 HIS 65 -2.453 1.868 8.501 491 HB3 HIS 65 HB2 HIS 65 -3.487 3.087 7.767 492 HD1 HIS 65 HD1 HIS 65 -2.444 -0.322 7.308 493 HD2 HIS 65 HD2 HIS 65 -3.418 2.816 4.737 494 HE1 HIS 65 HE1 HIS 65 -3.005 -1.371 5.069 495 HE2 HIS 65 HE2 HIS 65 -3.583 0.529 3.496 496 H PHE 66 H PHE 66 -2.108 5.440 6.127 497 HA PHE 66 HA PHE 66 -1.514 4.285 3.463 498 HB2 PHE 66 HB3 PHE 66 -2.861 6.927 4.066 499 HB3 PHE 66 HB2 PHE 66 -2.904 6.013 2.563 500 HD1 PHE 66 HD2 PHE 66 -3.803 5.708 6.187 501 HD2 PHE 66 HD1 PHE 66 -4.661 4.512 2.152 502 HE1 PHE 66 HE2 PHE 66 -5.811 4.485 6.978 503 HE2 PHE 66 HE1 PHE 66 -6.669 3.293 2.944 504 HZ PHE 66 HZ PHE 66 -7.242 3.285 5.357 505 H ARG 67 H ARG 67 0.338 5.521 5.616 506 HA ARG 67 HA ARG 67 1.452 7.944 4.822 507 HB2 ARG 67 HB3 ARG 67 3.528 7.116 5.842 508 HB3 ARG 67 HB2 ARG 67 2.136 6.639 6.809 509 HG2 ARG 67 HG3 ARG 67 2.295 4.533 5.101 510 HG3 ARG 67 HG2 ARG 67 3.995 4.969 5.220 511 HD2 ARG 67 HD3 ARG 67 3.342 5.064 7.838 512 HD3 ARG 67 HD2 ARG 67 2.161 3.877 7.289 513 HE ARG 67 HE ARG 67 4.807 3.272 6.296 514 HH11 ARG 67 HH22 ARG 67 2.686 3.154 9.010 515 HH12 ARG 67 HH21 ARG 67 3.449 1.768 9.716 516 HH21 ARG 67 HH11 ARG 67 5.813 1.463 7.197 517 HH22 ARG 67 HH12 ARG 67 5.222 0.811 8.688 518 H SER 68 H SER 68 1.999 4.720 3.402 519 HA SER 68 HA SER 68 2.836 5.962 0.908 520 HB2 SER 68 HB3 SER 68 5.082 5.073 0.833 521 HB3 SER 68 HB2 SER 68 4.927 6.021 2.309 522 HG SER 68 HG SER 68 5.219 4.264 3.424 523 H ILE 69 H ILE 69 3.089 4.366 -0.805 524 HA ILE 69 HA ILE 69 1.226 2.242 -0.715 525 HB ILE 69 HB ILE 69 3.667 2.407 -2.503 526 HG12 ILE 69 HG13 ILE 69 1.561 3.504 -3.898 527 HG13 ILE 69 HG12 ILE 69 1.290 4.126 -2.273 528 HG21 ILE 69 HG21 ILE 69 2.080 0.359 -2.422 529 HG22 ILE 69 HG22 ILE 69 2.439 1.067 -3.997 530 HG23 ILE 69 HG23 ILE 69 0.909 1.425 -3.195 531 HD11 ILE 69 HD11 ILE 69 3.640 4.555 -4.091 532 HD12 ILE 69 HD12 ILE 69 3.864 4.658 -2.345 533 HD13 ILE 69 HD13 ILE 69 2.729 5.738 -3.152 534 H ARG 70 H ARG 70 4.672 2.405 -0.041 535 HA ARG 70 HA ARG 70 5.297 -0.353 0.094 536 HB2 ARG 70 HB3 ARG 70 6.321 1.880 1.877 537 HB3 ARG 70 HB2 ARG 70 7.125 0.340 1.578 538 HG2 ARG 70 HG3 ARG 70 7.677 0.907 -0.620 539 HG3 ARG 70 HG2 ARG 70 6.402 2.124 -0.729 540 HD2 ARG 70 HD3 ARG 70 8.591 3.215 -0.521 541 HD3 ARG 70 HD2 ARG 70 7.620 3.529 0.916 542 HE ARG 70 HE ARG 70 9.269 1.183 1.276 543 HH11 ARG 70 HH22 ARG 70 9.254 4.629 1.156 544 HH12 ARG 70 HH21 ARG 70 10.616 4.804 2.210 545 HH21 ARG 70 HH11 ARG 70 11.048 1.392 2.654 546 HH22 ARG 70 HH12 ARG 70 11.633 2.972 3.058 547 H SER 71 H SER 71 3.946 1.828 2.557 548 HA SER 71 HA SER 71 3.878 -0.155 4.646 549 HB2 SER 71 HB3 SER 71 2.613 1.466 5.875 550 HB3 SER 71 HB2 SER 71 3.791 2.366 4.928 551 HG SER 71 HG SER 71 1.048 2.291 4.759 552 H ILE 72 H ILE 72 1.549 0.899 2.183 553 HA ILE 72 HA ILE 72 -0.711 -0.485 3.218 554 HB ILE 72 HB ILE 72 0.010 0.128 0.337 555 HG12 ILE 72 HG13 ILE 72 -1.686 1.690 2.312 556 HG13 ILE 72 HG12 ILE 72 -0.026 2.105 1.878 557 HG21 ILE 72 HG21 ILE 72 -2.777 0.213 0.841 558 HG22 ILE 72 HG22 ILE 72 -2.176 -1.293 1.534 559 HG23 ILE 72 HG23 ILE 72 -1.899 -0.934 -0.170 560 HD11 ILE 72 HD11 ILE 72 -2.417 2.801 0.496 561 HD12 ILE 72 HD12 ILE 72 -1.517 1.684 -0.533 562 HD13 ILE 72 HD13 ILE 72 -0.754 3.169 0.037 563 H ASP 73 H ASP 73 1.655 -1.485 0.723 564 HA ASP 73 HA ASP 73 0.587 -4.113 0.387 565 HB2 ASP 73 HB3 ASP 73 3.442 -3.147 0.031 566 HB3 ASP 73 HB2 ASP 73 2.763 -4.622 -0.644 567 H ALA 74 H ALA 74 3.132 -2.808 2.487 568 HA ALA 74 HA ALA 74 3.854 -5.312 3.692 569 HB1 ALA 74 HB1 ALA 74 4.149 -2.440 4.597 570 HB2 ALA 74 HB2 ALA 74 5.387 -3.476 3.882 571 HB3 ALA 74 HB3 ALA 74 4.794 -3.803 5.511 572 H PHE 75 H PHE 75 1.467 -2.829 4.518 573 HA PHE 75 HA PHE 75 0.764 -3.784 7.092 574 HB2 PHE 75 HB3 PHE 75 -0.034 -1.634 6.121 575 HB3 PHE 75 HB2 PHE 75 -1.076 -2.553 5.038 576 HD1 PHE 75 HD1 PHE 75 -0.425 -1.667 8.571 577 HD2 PHE 75 HD2 PHE 75 -3.096 -3.617 5.829 578 HE1 PHE 75 HE1 PHE 75 -2.148 -1.808 10.350 579 HE2 PHE 75 HE2 PHE 75 -4.819 -3.759 7.607 580 HZ PHE 75 HZ PHE 75 -4.345 -2.854 9.868 581 H VAL 76 H VAL 76 -0.623 -4.647 3.908 582 HA VAL 76 HA VAL 76 -2.482 -6.556 4.978 583 HB VAL 76 HB VAL 76 -1.265 -6.228 2.225 584 HG11 VAL 76 HG11 VAL 76 -3.597 -7.549 1.836 585 HG12 VAL 76 HG12 VAL 76 -3.097 -8.247 3.376 586 HG13 VAL 76 HG13 VAL 76 -2.035 -8.357 1.973 587 HG21 VAL 76 HG21 VAL 76 -4.102 -5.645 3.035 588 HG22 VAL 76 HG22 VAL 76 -3.161 -4.954 1.713 589 HG23 VAL 76 HG23 VAL 76 -2.835 -4.467 3.377 590 H VAL 77 H VAL 77 0.730 -6.969 3.434 591 HA VAL 77 HA VAL 77 0.767 -9.822 3.818 592 HB VAL 77 HB VAL 77 2.930 -7.776 3.277 593 HG11 VAL 77 HG11 VAL 77 4.040 -9.556 4.413 594 HG12 VAL 77 HG12 VAL 77 4.295 -9.847 2.693 595 HG13 VAL 77 HG13 VAL 77 3.084 -10.779 3.575 596 HG21 VAL 77 HG21 VAL 77 1.503 -8.065 1.384 597 HG22 VAL 77 HG22 VAL 77 1.409 -9.809 1.628 598 HG23 VAL 77 HG23 VAL 77 2.909 -9.078 1.064 599 H GLY 78 H GLY 78 2.212 -7.110 5.608 600 HA2 GLY 78 HA3 GLY 78 3.562 -8.660 7.571 601 HA3 GLY 78 HA2 GLY 78 3.039 -6.992 7.794 602 H ALA 79 H ALA 79 0.231 -7.424 7.470 603 HA ALA 79 HA ALA 79 -0.444 -8.216 10.147 604 HB1 ALA 79 HB1 ALA 79 -1.821 -6.596 8.991 605 HB2 ALA 79 HB2 ALA 79 -2.811 -8.018 9.324 606 HB3 ALA 79 HB3 ALA 79 -2.170 -7.749 7.702 607 H THR 80 H THR 80 -0.767 -9.869 7.012 608 HA THR 80 HA THR 80 -2.009 -12.203 8.273 609 HB THR 80 HB THR 80 -2.013 -13.156 6.035 610 HG1 THR 80 HG1 THR 80 -0.595 -10.883 5.159 611 HG21 THR 80 HG21 THR 80 -3.065 -10.541 6.673 612 HG22 THR 80 HG22 THR 80 -3.792 -11.821 5.702 613 HG23 THR 80 HG23 THR 80 -2.709 -10.651 4.949 614 H THR 81 H THR 81 1.181 -11.195 7.253 615 HA THR 81 HA THR 81 2.242 -13.725 8.392 616 HB THR 81 HB THR 81 4.101 -13.134 6.514 617 HG1 THR 81 HG1 THR 81 1.725 -12.727 5.113 618 HG21 THR 81 HG21 THR 81 2.992 -15.316 6.910 619 HG22 THR 81 HG22 THR 81 3.107 -14.940 5.191 620 HG23 THR 81 HG23 THR 81 1.574 -14.730 6.038 621 HA PRO 82 HA PRO 82 4.863 -11.059 10.748 622 HB2 PRO 82 HB2 PRO 82 7.134 -12.599 10.951 623 HB3 PRO 82 HB3 PRO 82 5.661 -12.875 11.900 624 HG2 PRO 82 HG3 PRO 82 6.638 -14.276 9.467 625 HG3 PRO 82 HG2 PRO 82 5.801 -14.924 10.888 626 HD2 PRO 82 HD3 PRO 82 4.540 -14.463 8.504 627 HD3 PRO 82 HD2 PRO 82 3.707 -14.377 10.072 628 HA PRO 83 HA PRO 83 7.236 -9.363 7.238 629 HB2 PRO 83 HB2 PRO 83 7.391 -6.795 8.174 630 HB3 PRO 83 HB3 PRO 83 6.000 -7.447 7.295 631 HG2 PRO 83 HG3 PRO 83 6.322 -6.889 10.170 632 HG3 PRO 83 HG2 PRO 83 4.861 -6.887 9.172 633 HD2 PRO 83 HD3 PRO 83 5.635 -8.923 10.942 634 HD3 PRO 83 HD2 PRO 83 4.398 -9.064 9.676 635 H VAL 84 H VAL 84 9.394 -8.656 6.947 636 HA VAL 84 HA VAL 84 11.111 -8.998 9.363 637 HB VAL 84 HB VAL 84 12.940 -9.402 7.766 638 HG11 VAL 84 HG11 VAL 84 10.397 -10.948 7.671 639 HG12 VAL 84 HG12 VAL 84 12.008 -11.461 8.176 640 HG13 VAL 84 HG13 VAL 84 11.616 -11.347 6.461 641 HG21 VAL 84 HG21 VAL 84 10.902 -8.342 5.892 642 HG22 VAL 84 HG22 VAL 84 11.836 -9.714 5.294 643 HG23 VAL 84 HG23 VAL 84 12.662 -8.245 5.812 644 H GLU 85 H GLU 85 12.480 -7.322 10.006 645 HA GLU 85 HA GLU 85 13.014 -5.036 10.271 646 HB2 GLU 85 HB3 GLU 85 14.560 -5.818 8.448 647 HB3 GLU 85 HB2 GLU 85 13.379 -5.253 7.266 648 HG2 GLU 85 HG3 GLU 85 13.528 -2.971 8.260 649 HG3 GLU 85 HG2 GLU 85 14.789 -3.556 9.345 650 H ALA 86 H ALA 86 10.537 -4.829 10.628 651 HA ALA 86 HA ALA 86 8.689 -3.970 8.742 652 HB1 ALA 86 HB1 ALA 86 9.069 -3.583 11.627 653 HB2 ALA 86 HB2 ALA 86 7.596 -3.942 10.726 654 HB3 ALA 86 HB3 ALA 86 8.163 -2.277 10.862 655 H LYS 87 H LYS 87 8.089 -1.911 7.901 656 HA LYS 87 HA LYS 87 10.183 -0.244 6.999 657 HB2 LYS 87 HB3 LYS 87 7.877 -0.344 6.027 658 HB3 LYS 87 HB2 LYS 87 7.288 0.554 7.424 659 HG2 LYS 87 HG3 LYS 87 8.847 2.407 6.865 660 HG3 LYS 87 HG2 LYS 87 9.361 1.516 5.431 661 HD2 LYS 87 HD3 LYS 87 6.968 1.493 4.665 662 HD3 LYS 87 HD2 LYS 87 6.573 2.546 6.023 663 HE2 LYS 87 HE3 LYS 87 8.216 3.145 3.582 664 HE3 LYS 87 HE2 LYS 87 6.931 4.102 4.321 665 HZ1 LYS 87 HZ1 LYS 87 8.984 5.151 4.815 666 HZ2 LYS 87 HZ2 LYS 87 9.689 3.700 5.336 667 HZ3 LYS 87 HZ3 LYS 87 8.451 4.417 6.251 668 H LEU 88 H LEU 88 8.161 0.000 9.901 669 HA LEU 88 HA LEU 88 9.489 2.534 10.662 670 HB2 LEU 88 HB3 LEU 88 7.423 0.909 12.177 671 HB3 LEU 88 HB2 LEU 88 7.923 2.562 12.530 672 HG LEU 88 HG LEU 88 6.515 1.609 10.020 673 HD11 LEU 88 HD11 LEU 88 5.334 3.786 11.568 674 HD12 LEU 88 HD12 LEU 88 5.493 2.307 12.517 675 HD13 LEU 88 HD13 LEU 88 4.596 2.288 10.999 676 HD21 LEU 88 HD21 LEU 88 6.440 4.245 9.761 677 HD22 LEU 88 HD22 LEU 88 7.848 3.338 9.209 678 HD23 LEU 88 HD23 LEU 88 7.889 4.171 10.763 679 H GLN 89 H GLN 89 10.963 2.687 12.364 680 HA GLN 89 HA GLN 89 12.207 0.143 13.195 681 HB2 GLN 89 HB3 GLN 89 12.984 3.032 13.702 682 HB3 GLN 89 HB2 GLN 89 13.933 1.634 14.207 683 HG2 GLN 89 HG3 GLN 89 14.159 0.915 11.871 684 HG3 GLN 89 HG2 GLN 89 13.169 2.275 11.344 685 HE21 GLN 89 HE22 GLN 89 15.845 1.993 10.401 686 HE22 GLN 89 HE21 GLN 89 16.788 3.243 11.058 Start of MODEL 6 1 H1 SER -1 H1 SER -1 7.340 -8.811 -7.963 2 H2 SER -1 H2 SER -1 8.758 -9.161 -7.095 3 H3 SER -1 H3 SER -1 8.741 -7.891 -8.224 4 HA SER -1 HA SER -1 7.552 -6.488 -6.874 5 HB2 SER -1 HB3 SER -1 6.246 -8.952 -6.167 6 HB3 SER -1 HB2 SER -1 6.677 -8.083 -4.696 7 HG SER -1 HG SER -1 5.705 -6.211 -5.720 8 H GLU 0 H GLU 0 8.933 -5.346 -5.604 9 HA GLU 0 HA GLU 0 11.301 -6.434 -4.486 10 HB2 GLU 0 HB3 GLU 0 10.905 -4.003 -4.954 11 HB3 GLU 0 HB2 GLU 0 9.837 -3.947 -3.551 12 HG2 GLU 0 HG3 GLU 0 11.724 -4.739 -2.125 13 HG3 GLU 0 HG2 GLU 0 12.783 -4.666 -3.535 14 H MET 1 H MET 1 8.091 -5.945 -3.074 15 HA MET 1 HA MET 1 9.054 -7.256 -0.569 16 HB2 MET 1 HB3 MET 1 6.562 -5.583 -1.045 17 HB3 MET 1 HB2 MET 1 7.109 -6.221 0.510 18 HG2 MET 1 HG3 MET 1 9.258 -4.926 0.167 19 HG3 MET 1 HG2 MET 1 8.488 -4.153 -1.216 20 HE1 MET 1 HE1 MET 1 9.720 -2.573 0.884 21 HE2 MET 1 HE2 MET 1 8.550 -1.415 1.533 22 HE3 MET 1 HE3 MET 1 8.682 -1.659 -0.207 23 H GLN 2 H GLN 2 5.808 -7.231 -0.525 24 HA GLN 2 HA GLN 2 5.594 -9.954 -1.753 25 HB2 GLN 2 HB3 GLN 2 5.298 -9.849 0.750 26 HB3 GLN 2 HB2 GLN 2 3.910 -8.792 0.491 27 HG2 GLN 2 HG3 GLN 2 3.019 -11.000 0.710 28 HG3 GLN 2 HG2 GLN 2 2.962 -10.622 -1.012 29 HE21 GLN 2 HE22 GLN 2 3.768 -12.272 -2.306 30 HE22 GLN 2 HE21 GLN 2 4.950 -13.396 -1.835 31 H HIS 3 H HIS 3 4.543 -9.709 -3.698 32 HA HIS 3 HA HIS 3 3.078 -8.784 -5.301 33 HB2 HIS 3 HB3 HIS 3 1.228 -8.557 -2.906 34 HB3 HIS 3 HB2 HIS 3 0.760 -8.708 -4.600 35 HD1 HIS 3 HD1 HIS 3 2.244 -11.013 -5.662 36 HD2 HIS 3 HD2 HIS 3 0.832 -11.023 -1.737 37 HE1 HIS 3 HE1 HIS 3 2.111 -13.443 -4.952 38 HE2 HIS 3 HE2 HIS 3 1.255 -13.459 -2.565 39 H ALA 4 H ALA 4 4.854 -6.976 -3.771 40 HA ALA 4 HA ALA 4 3.566 -4.584 -2.964 41 HB1 ALA 4 HB1 ALA 4 5.703 -4.031 -2.542 42 HB2 ALA 4 HB2 ALA 4 6.034 -3.948 -4.273 43 HB3 ALA 4 HB3 ALA 4 6.236 -5.472 -3.409 44 H SER 5 H SER 5 4.707 -5.617 -6.178 45 HA SER 5 HA SER 5 4.100 -3.170 -7.529 46 HB2 SER 5 HB3 SER 5 4.279 -4.458 -9.573 47 HB3 SER 5 HB2 SER 5 5.506 -5.040 -8.452 48 HG SER 5 HG SER 5 3.215 -6.352 -8.027 49 H VAL 6 H VAL 6 2.124 -5.937 -6.623 50 HA VAL 6 HA VAL 6 -0.123 -5.338 -8.295 51 HB VAL 6 HB VAL 6 0.064 -6.765 -5.641 52 HG11 VAL 6 HG11 VAL 6 -2.190 -6.436 -5.606 53 HG12 VAL 6 HG12 VAL 6 -2.206 -7.694 -6.841 54 HG13 VAL 6 HG13 VAL 6 -2.245 -5.994 -7.312 55 HG21 VAL 6 HG21 VAL 6 -0.574 -8.110 -8.222 56 HG22 VAL 6 HG22 VAL 6 0.373 -8.697 -6.855 57 HG23 VAL 6 HG23 VAL 6 1.087 -7.559 -7.998 58 H ILE 7 H ILE 7 0.661 -4.421 -4.952 59 HA ILE 7 HA ILE 7 -1.716 -2.945 -4.416 60 HB ILE 7 HB ILE 7 1.092 -2.395 -3.409 61 HG12 ILE 7 HG13 ILE 7 -1.085 -4.100 -2.161 62 HG13 ILE 7 HG12 ILE 7 0.255 -4.762 -3.097 63 HG21 ILE 7 HG21 ILE 7 -0.188 -1.500 -1.428 64 HG22 ILE 7 HG22 ILE 7 -1.664 -1.670 -2.377 65 HG23 ILE 7 HG23 ILE 7 -0.401 -0.558 -2.905 66 HD11 ILE 7 HD11 ILE 7 1.407 -2.971 -1.235 67 HD12 ILE 7 HD12 ILE 7 1.514 -4.731 -1.235 68 HD13 ILE 7 HD13 ILE 7 0.226 -3.925 -0.339 69 H ALA 8 H ALA 8 1.399 -1.956 -5.814 70 HA ALA 8 HA ALA 8 0.816 0.813 -6.078 71 HB1 ALA 8 HB1 ALA 8 2.752 0.928 -7.344 72 HB2 ALA 8 HB2 ALA 8 2.414 -0.583 -8.187 73 HB3 ALA 8 HB3 ALA 8 3.014 -0.614 -6.528 74 H GLN 9 H GLN 9 0.040 -1.959 -8.135 75 HA GLN 9 HA GLN 9 -0.917 -0.462 -10.381 76 HB2 GLN 9 HB3 GLN 9 -0.394 -2.919 -10.389 77 HB3 GLN 9 HB2 GLN 9 -1.870 -3.185 -9.460 78 HG2 GLN 9 HG3 GLN 9 -3.174 -2.081 -11.275 79 HG3 GLN 9 HG2 GLN 9 -1.689 -1.937 -12.218 80 HE21 GLN 9 HE22 GLN 9 -1.191 -4.746 -10.617 81 HE22 GLN 9 HE21 GLN 9 -1.880 -5.850 -11.708 82 H PHE 10 H PHE 10 -2.565 -1.690 -7.473 83 HA PHE 10 HA PHE 10 -5.204 -0.957 -8.274 84 HB2 PHE 10 HB3 PHE 10 -3.887 -1.404 -5.615 85 HB3 PHE 10 HB2 PHE 10 -5.533 -0.778 -5.685 86 HD1 PHE 10 HD2 PHE 10 -7.286 -2.089 -6.976 87 HD2 PHE 10 HD1 PHE 10 -3.437 -3.708 -5.971 88 HE1 PHE 10 HE2 PHE 10 -8.155 -4.381 -7.343 89 HE2 PHE 10 HE1 PHE 10 -4.309 -6.001 -6.335 90 HZ PHE 10 HZ PHE 10 -6.667 -6.337 -7.017 91 H VAL 11 H VAL 11 -2.872 0.857 -6.250 92 HA VAL 11 HA VAL 11 -4.565 3.143 -5.964 93 HB VAL 11 HB VAL 11 -2.435 4.341 -5.398 94 HG11 VAL 11 HG11 VAL 11 -2.887 3.469 -3.372 95 HG12 VAL 11 HG12 VAL 11 -1.880 2.081 -3.785 96 HG13 VAL 11 HG13 VAL 11 -3.612 2.043 -4.115 97 HG21 VAL 11 HG21 VAL 11 -0.378 2.887 -5.290 98 HG22 VAL 11 HG22 VAL 11 -0.913 3.249 -6.931 99 HG23 VAL 11 HG23 VAL 11 -1.261 1.677 -6.218 100 H VAL 12 H VAL 12 -2.058 2.330 -8.361 101 HA VAL 12 HA VAL 12 -2.175 4.821 -9.768 102 HB VAL 12 HB VAL 12 -1.439 2.043 -10.708 103 HG11 VAL 12 HG11 VAL 12 -1.076 4.736 -12.050 104 HG12 VAL 12 HG12 VAL 12 -2.070 3.402 -12.638 105 HG13 VAL 12 HG13 VAL 12 -0.315 3.240 -12.589 106 HG21 VAL 12 HG21 VAL 12 0.671 4.027 -10.545 107 HG22 VAL 12 HG22 VAL 12 0.573 2.448 -9.769 108 HG23 VAL 12 HG23 VAL 12 -0.150 3.857 -8.994 109 H GLU 13 H GLU 13 -3.887 1.724 -10.292 110 HA GLU 13 HA GLU 13 -5.426 2.712 -12.520 111 HB2 GLU 13 HB3 GLU 13 -5.825 0.368 -10.664 112 HB3 GLU 13 HB2 GLU 13 -6.826 0.676 -12.074 113 HG2 GLU 13 HG3 GLU 13 -4.804 0.623 -13.505 114 HG3 GLU 13 HG2 GLU 13 -3.839 0.235 -12.086 115 H GLU 14 H GLU 14 -5.848 2.765 -9.056 116 HA GLU 14 HA GLU 14 -8.655 3.291 -8.997 117 HB2 GLU 14 HB3 GLU 14 -7.258 2.643 -7.019 118 HB3 GLU 14 HB2 GLU 14 -6.573 4.268 -7.028 119 HG2 GLU 14 HG3 GLU 14 -8.878 5.202 -6.798 120 HG3 GLU 14 HG2 GLU 14 -9.499 3.556 -6.676 121 H PHE 15 H PHE 15 -5.892 5.414 -9.569 122 HA PHE 15 HA PHE 15 -7.849 7.629 -10.015 123 HB2 PHE 15 HB3 PHE 15 -6.652 7.925 -7.847 124 HB3 PHE 15 HB2 PHE 15 -5.125 7.940 -8.729 125 HD1 PHE 15 HD2 PHE 15 -8.412 9.677 -8.426 126 HD2 PHE 15 HD1 PHE 15 -4.348 9.906 -9.797 127 HE1 PHE 15 HE2 PHE 15 -8.710 12.091 -8.909 128 HE2 PHE 15 HE1 PHE 15 -4.647 12.319 -10.282 129 HZ PHE 15 HZ PHE 15 -6.829 13.413 -9.837 130 H LEU 16 H LEU 16 -4.500 6.532 -10.687 131 HA LEU 16 HA LEU 16 -4.693 8.014 -13.280 132 HB2 LEU 16 HB3 LEU 16 -2.507 7.665 -11.300 133 HB3 LEU 16 HB2 LEU 16 -2.048 7.650 -13.001 134 HG LEU 16 HG LEU 16 -3.919 9.776 -12.031 135 HD11 LEU 16 HD11 LEU 16 -0.901 9.840 -11.724 136 HD12 LEU 16 HD12 LEU 16 -2.065 9.783 -10.401 137 HD13 LEU 16 HD13 LEU 16 -1.988 11.201 -11.446 138 HD21 LEU 16 HD21 LEU 16 -1.638 10.222 -13.902 139 HD22 LEU 16 HD22 LEU 16 -3.282 10.858 -13.964 140 HD23 LEU 16 HD23 LEU 16 -2.957 9.201 -14.473 141 HA PRO 17 HA PRO 17 -4.288 3.518 -14.309 142 HB2 PRO 17 HB2 PRO 17 -6.280 3.444 -16.170 143 HB3 PRO 17 HB3 PRO 17 -6.566 3.217 -14.436 144 HG2 PRO 17 HG3 PRO 17 -7.082 5.577 -16.141 145 HG3 PRO 17 HG2 PRO 17 -7.958 4.993 -14.720 146 HD2 PRO 17 HD3 PRO 17 -6.146 7.116 -14.735 147 HD3 PRO 17 HD2 PRO 17 -6.681 6.235 -13.291 148 H ASP 18 H ASP 18 -4.052 6.458 -16.067 149 HA ASP 18 HA ASP 18 -3.198 5.143 -18.561 150 HB2 ASP 18 HB3 ASP 18 -2.997 7.419 -19.425 151 HB3 ASP 18 HB2 ASP 18 -4.552 7.226 -18.622 152 H VAL 19 H VAL 19 -1.725 5.435 -15.711 153 HA VAL 19 HA VAL 19 0.930 6.098 -16.931 154 HB VAL 19 HB VAL 19 0.080 6.398 -14.035 155 HG11 VAL 19 HG11 VAL 19 2.396 7.887 -14.621 156 HG12 VAL 19 HG12 VAL 19 2.653 6.311 -15.369 157 HG13 VAL 19 HG13 VAL 19 2.300 6.421 -13.645 158 HG21 VAL 19 HG21 VAL 19 -0.020 8.181 -16.388 159 HG22 VAL 19 HG22 VAL 19 0.753 8.889 -14.969 160 HG23 VAL 19 HG23 VAL 19 -0.898 8.282 -14.863 161 H ALA 20 H ALA 20 2.503 4.547 -16.765 162 HA ALA 20 HA ALA 20 1.768 1.886 -15.936 163 HB1 ALA 20 HB1 ALA 20 3.830 3.079 -17.446 164 HB2 ALA 20 HB2 ALA 20 3.547 1.355 -17.201 165 HB3 ALA 20 HB3 ALA 20 4.623 2.236 -16.115 166 HA PRO 21 HA PRO 21 2.551 2.632 -11.515 167 HB2 PRO 21 HB2 PRO 21 2.885 -0.327 -11.494 168 HB3 PRO 21 HB3 PRO 21 1.859 0.698 -10.476 169 HG2 PRO 21 HG3 PRO 21 0.872 -0.811 -12.460 170 HG3 PRO 21 HG2 PRO 21 0.162 0.742 -11.994 171 HD2 PRO 21 HD3 PRO 21 1.740 0.057 -14.413 172 HD3 PRO 21 HD2 PRO 21 0.535 1.341 -14.165 173 H ALA 22 H ALA 22 4.570 0.690 -13.646 174 HA ALA 22 HA ALA 22 6.793 0.349 -11.868 175 HB1 ALA 22 HB1 ALA 22 6.371 -0.811 -14.125 176 HB2 ALA 22 HB2 ALA 22 8.029 -0.314 -13.791 177 HB3 ALA 22 HB3 ALA 22 7.018 0.652 -14.867 178 H ASP 23 H ASP 23 5.673 3.039 -13.782 179 HA ASP 23 HA ASP 23 8.210 4.492 -13.617 180 HB2 ASP 23 HB3 ASP 23 6.597 4.795 -15.508 181 HB3 ASP 23 HB2 ASP 23 5.459 5.521 -14.372 182 H VAL 24 H VAL 24 6.111 3.684 -11.281 183 HA VAL 24 HA VAL 24 6.202 6.355 -9.935 184 HB VAL 24 HB VAL 24 4.615 3.934 -9.067 185 HG11 VAL 24 HG11 VAL 24 3.338 5.560 -7.800 186 HG12 VAL 24 HG12 VAL 24 4.223 6.893 -8.541 187 HG13 VAL 24 HG13 VAL 24 5.048 5.792 -7.439 188 HG21 VAL 24 HG21 VAL 24 2.673 5.082 -10.183 189 HG22 VAL 24 HG22 VAL 24 3.880 4.486 -11.324 190 HG23 VAL 24 HG23 VAL 24 3.816 6.203 -10.922 191 H ASP 25 H ASP 25 7.508 6.576 -8.154 192 HA ASP 25 HA ASP 25 9.085 4.220 -7.325 193 HB2 ASP 25 HB3 ASP 25 9.221 7.143 -6.517 194 HB3 ASP 25 HB2 ASP 25 10.329 5.894 -5.942 195 H VAL 26 H VAL 26 8.356 2.978 -5.650 196 HA VAL 26 HA VAL 26 6.177 3.904 -3.951 197 HB VAL 26 HB VAL 26 6.372 1.714 -2.896 198 HG11 VAL 26 HG11 VAL 26 5.573 0.566 -4.704 199 HG12 VAL 26 HG12 VAL 26 6.977 0.959 -5.697 200 HG13 VAL 26 HG13 VAL 26 5.687 2.143 -5.486 201 HG21 VAL 26 HG21 VAL 26 8.718 1.423 -2.642 202 HG22 VAL 26 HG22 VAL 26 9.011 1.667 -4.364 203 HG23 VAL 26 HG23 VAL 26 8.235 0.186 -3.801 204 H ASP 27 H ASP 27 9.354 4.692 -3.978 205 HA ASP 27 HA ASP 27 9.945 4.473 -1.125 206 HB2 ASP 27 HB3 ASP 27 11.279 6.016 -3.373 207 HB3 ASP 27 HB2 ASP 27 11.907 5.910 -1.731 208 H LEU 28 H LEU 28 8.518 6.792 -3.304 209 HA LEU 28 HA LEU 28 8.605 8.982 -1.352 210 HB2 LEU 28 HB3 LEU 28 8.693 9.417 -3.797 211 HB3 LEU 28 HB2 LEU 28 7.079 8.738 -3.965 212 HG LEU 28 HG LEU 28 6.262 10.469 -2.321 213 HD11 LEU 28 HD11 LEU 28 7.933 12.508 -2.287 214 HD12 LEU 28 HD12 LEU 28 9.151 11.260 -2.545 215 HD13 LEU 28 HD13 LEU 28 8.120 11.203 -1.116 216 HD21 LEU 28 HD21 LEU 28 5.772 11.013 -4.546 217 HD22 LEU 28 HD22 LEU 28 7.473 11.169 -4.985 218 HD23 LEU 28 HD23 LEU 28 6.693 12.421 -4.019 219 H ASP 29 H ASP 29 6.893 9.569 -0.012 220 HA ASP 29 HA ASP 29 5.039 7.590 0.757 221 HB2 ASP 29 HB3 ASP 29 4.889 10.602 1.086 222 HB3 ASP 29 HB2 ASP 29 3.823 9.464 1.908 223 H LEU 30 H LEU 30 3.095 6.987 -0.014 224 HA LEU 30 HA LEU 30 2.211 7.809 -2.601 225 HB2 LEU 30 HB3 LEU 30 1.741 5.585 -1.590 226 HB3 LEU 30 HB2 LEU 30 0.649 6.363 -0.446 227 HG LEU 30 HG LEU 30 -0.692 7.226 -2.357 228 HD11 LEU 30 HD11 LEU 30 -0.034 5.685 -4.508 229 HD12 LEU 30 HD12 LEU 30 1.564 5.998 -3.832 230 HD13 LEU 30 HD13 LEU 30 0.521 7.344 -4.289 231 HD21 LEU 30 HD21 LEU 30 -0.722 4.724 -1.251 232 HD22 LEU 30 HD22 LEU 30 -0.566 4.334 -2.963 233 HD23 LEU 30 HD23 LEU 30 -1.925 5.305 -2.402 234 H VAL 31 H VAL 31 1.179 8.749 0.657 235 HA VAL 31 HA VAL 31 -1.163 10.170 -0.140 236 HB VAL 31 HB VAL 31 0.664 10.558 2.237 237 HG11 VAL 31 HG11 VAL 31 -1.649 12.087 1.233 238 HG12 VAL 31 HG12 VAL 31 -0.419 12.553 2.409 239 HG13 VAL 31 HG13 VAL 31 -1.797 11.577 2.915 240 HG21 VAL 31 HG21 VAL 31 -0.638 8.386 1.918 241 HG22 VAL 31 HG22 VAL 31 -2.108 9.351 2.057 242 HG23 VAL 31 HG23 VAL 31 -0.980 9.261 3.412 243 H ASP 32 H ASP 32 2.231 11.164 -0.005 244 HA ASP 32 HA ASP 32 1.910 13.951 -0.252 245 HB2 ASP 32 HB3 ASP 32 3.955 12.120 -1.549 246 HB3 ASP 32 HB2 ASP 32 4.070 13.880 -1.561 247 H ASN 33 H ASN 33 1.507 11.387 -2.608 248 HA ASN 33 HA ASN 33 1.247 13.094 -4.921 249 HB2 ASN 33 HB3 ASN 33 0.330 10.280 -4.338 250 HB3 ASN 33 HB2 ASN 33 0.171 11.043 -5.914 251 HD21 ASN 33 HD22 ASN 33 1.808 8.722 -5.575 252 HD22 ASN 33 HD21 ASN 33 3.430 9.167 -5.792 253 H GLY 34 H GLY 34 -1.007 11.822 -2.520 254 HA2 GLY 34 HA3 GLY 34 -3.113 12.835 -1.963 255 HA3 GLY 34 HA2 GLY 34 -3.047 13.744 -3.477 256 H VAL 35 H VAL 35 -2.164 10.620 -4.138 257 HA VAL 35 HA VAL 35 -4.495 10.037 -5.679 258 HB VAL 35 HB VAL 35 -2.338 8.205 -4.581 259 HG11 VAL 35 HG11 VAL 35 -3.844 6.585 -5.140 260 HG12 VAL 35 HG12 VAL 35 -3.336 6.955 -6.789 261 HG13 VAL 35 HG13 VAL 35 -4.803 7.682 -6.135 262 HG21 VAL 35 HG21 VAL 35 -1.197 8.576 -6.572 263 HG22 VAL 35 HG22 VAL 35 -1.949 10.155 -6.342 264 HG23 VAL 35 HG23 VAL 35 -2.666 8.990 -7.457 265 H ILE 36 H ILE 36 -3.639 9.434 -2.343 266 HA ILE 36 HA ILE 36 -6.033 7.726 -1.962 267 HB ILE 36 HB ILE 36 -3.915 8.574 0.040 268 HG12 ILE 36 HG13 ILE 36 -4.204 5.946 -1.443 269 HG13 ILE 36 HG12 ILE 36 -3.076 7.216 -1.905 270 HG21 ILE 36 HG21 ILE 36 -5.262 6.068 0.521 271 HG22 ILE 36 HG22 ILE 36 -6.442 7.371 0.373 272 HG23 ILE 36 HG23 ILE 36 -5.150 7.480 1.569 273 HD11 ILE 36 HD11 ILE 36 -2.623 5.188 -0.024 274 HD12 ILE 36 HD12 ILE 36 -2.877 6.650 0.930 275 HD13 ILE 36 HD13 ILE 36 -1.615 6.608 -0.302 276 H ASP 37 H ASP 37 -7.850 8.477 -0.994 277 HA ASP 37 HA ASP 37 -7.774 11.103 0.403 278 HB2 ASP 37 HB3 ASP 37 -8.508 11.369 -2.017 279 HB3 ASP 37 HB2 ASP 37 -9.909 10.375 -1.619 280 H ALA 38 H ALA 38 -10.426 11.332 1.053 281 HA ALA 38 HA ALA 38 -10.747 9.419 3.152 282 HB1 ALA 38 HB1 ALA 38 -11.837 11.555 3.371 283 HB2 ALA 38 HB2 ALA 38 -13.113 10.344 3.257 284 HB3 ALA 38 HB3 ALA 38 -12.706 11.331 1.853 285 H LEU 39 H LEU 39 -12.553 9.787 0.094 286 HA LEU 39 HA LEU 39 -13.904 7.248 0.373 287 HB2 LEU 39 HB3 LEU 39 -13.428 9.048 -2.010 288 HB3 LEU 39 HB2 LEU 39 -14.398 7.583 -2.085 289 HG LEU 39 HG LEU 39 -15.787 8.530 -0.200 290 HD11 LEU 39 HD11 LEU 39 -14.495 10.197 0.809 291 HD12 LEU 39 HD12 LEU 39 -15.599 11.145 -0.185 292 HD13 LEU 39 HD13 LEU 39 -13.952 10.850 -0.738 293 HD21 LEU 39 HD21 LEU 39 -16.524 8.616 -2.555 294 HD22 LEU 39 HD22 LEU 39 -15.659 10.138 -2.768 295 HD23 LEU 39 HD23 LEU 39 -17.044 10.056 -1.680 296 H GLY 40 H GLY 40 -10.929 8.422 -1.027 297 HA2 GLY 40 HA3 GLY 40 -10.202 6.161 -2.573 298 HA3 GLY 40 HA2 GLY 40 -9.060 7.292 -1.841 299 H LEU 41 H LEU 41 -9.615 6.930 0.852 300 HA LEU 41 HA LEU 41 -8.155 4.539 1.446 301 HB2 LEU 41 HB3 LEU 41 -8.206 6.581 2.883 302 HB3 LEU 41 HB2 LEU 41 -9.879 6.211 3.298 303 HG LEU 41 HG LEU 41 -7.958 3.982 3.654 304 HD11 LEU 41 HD11 LEU 41 -7.773 6.596 5.128 305 HD12 LEU 41 HD12 LEU 41 -6.474 5.548 4.559 306 HD13 LEU 41 HD13 LEU 41 -7.423 5.089 5.974 307 HD21 LEU 41 HD21 LEU 41 -10.511 4.277 4.306 308 HD22 LEU 41 HD22 LEU 41 -9.837 5.086 5.720 309 HD23 LEU 41 HD23 LEU 41 -9.417 3.407 5.381 310 H LEU 42 H LEU 42 -11.607 5.360 1.574 311 HA LEU 42 HA LEU 42 -12.525 2.952 2.786 312 HB2 LEU 42 HB3 LEU 42 -13.969 4.928 2.422 313 HB3 LEU 42 HB2 LEU 42 -13.878 4.674 0.681 314 HG LEU 42 HG LEU 42 -14.705 2.215 1.483 315 HD11 LEU 42 HD11 LEU 42 -16.321 2.397 3.247 316 HD12 LEU 42 HD12 LEU 42 -16.133 4.149 3.317 317 HD13 LEU 42 HD13 LEU 42 -14.823 3.098 3.856 318 HD21 LEU 42 HD21 LEU 42 -17.069 3.194 1.008 319 HD22 LEU 42 HD22 LEU 42 -15.849 3.288 -0.263 320 HD23 LEU 42 HD23 LEU 42 -16.209 4.707 0.722 321 H LYS 43 H LYS 43 -12.051 3.801 -0.627 322 HA LYS 43 HA LYS 43 -12.892 1.316 -1.709 323 HB2 LYS 43 HB3 LYS 43 -10.884 3.323 -2.744 324 HB3 LYS 43 HB2 LYS 43 -11.501 1.972 -3.687 325 HG2 LYS 43 HG3 LYS 43 -13.816 2.833 -3.337 326 HG3 LYS 43 HG2 LYS 43 -13.136 4.233 -2.508 327 HD2 LYS 43 HD3 LYS 43 -11.817 4.758 -4.566 328 HD3 LYS 43 HD2 LYS 43 -12.634 3.427 -5.386 329 HE2 LYS 43 HE3 LYS 43 -13.892 5.348 -5.978 330 HE3 LYS 43 HE2 LYS 43 -14.832 4.581 -4.697 331 HZ1 LYS 43 HZ1 LYS 43 -13.900 7.163 -4.728 332 HZ2 LYS 43 HZ2 LYS 43 -12.884 6.359 -3.634 333 HZ3 LYS 43 HZ3 LYS 43 -14.567 6.340 -3.400 334 H VAL 44 H VAL 44 -9.797 2.378 -0.407 335 HA VAL 44 HA VAL 44 -8.200 0.212 -1.295 336 HB VAL 44 HB VAL 44 -8.027 1.852 1.241 337 HG11 VAL 44 HG11 VAL 44 -5.569 1.038 1.069 338 HG12 VAL 44 HG12 VAL 44 -6.222 -0.253 0.060 339 HG13 VAL 44 HG13 VAL 44 -6.765 -0.077 1.730 340 HG21 VAL 44 HG21 VAL 44 -6.154 2.054 -1.087 341 HG22 VAL 44 HG22 VAL 44 -6.662 3.303 0.051 342 HG23 VAL 44 HG23 VAL 44 -7.752 2.786 -1.237 343 H ILE 45 H ILE 45 -10.210 0.572 1.607 344 HA ILE 45 HA ILE 45 -9.541 -1.969 2.742 345 HB ILE 45 HB ILE 45 -12.144 -0.475 3.083 346 HG12 ILE 45 HG13 ILE 45 -10.545 1.208 3.505 347 HG13 ILE 45 HG12 ILE 45 -10.835 0.511 5.093 348 HG21 ILE 45 HG21 ILE 45 -11.192 -2.872 4.123 349 HG22 ILE 45 HG22 ILE 45 -12.510 -1.905 4.783 350 HG23 ILE 45 HG23 ILE 45 -10.871 -1.700 5.399 351 HD11 ILE 45 HD11 ILE 45 -8.491 -0.010 3.260 352 HD12 ILE 45 HD12 ILE 45 -8.845 -1.007 4.671 353 HD13 ILE 45 HD13 ILE 45 -8.465 0.700 4.871 354 H ALA 46 H ALA 46 -12.131 -0.958 0.519 355 HA ALA 46 HA ALA 46 -13.594 -3.410 0.617 356 HB1 ALA 46 HB1 ALA 46 -13.369 -1.463 -1.689 357 HB2 ALA 46 HB2 ALA 46 -14.464 -1.281 -0.319 358 HB3 ALA 46 HB3 ALA 46 -14.663 -2.634 -1.433 359 H TRP 47 H TRP 47 -11.141 -2.336 -1.796 360 HA TRP 47 HA TRP 47 -11.242 -4.971 -3.071 361 HB2 TRP 47 HB3 TRP 47 -10.442 -3.753 -4.782 362 HB3 TRP 47 HB2 TRP 47 -10.146 -2.382 -3.714 363 HD1 TRP 47 HD1 TRP 47 -8.457 -5.786 -4.502 364 HE1 TRP 47 HE1 TRP 47 -5.902 -5.447 -4.379 365 HE3 TRP 47 HE3 TRP 47 -8.304 -0.876 -3.208 366 HZ2 TRP 47 HZ2 TRP 47 -4.038 -3.345 -3.796 367 HZ3 TRP 47 HZ3 TRP 47 -6.137 0.286 -2.868 368 HH2 TRP 47 HH2 TRP 47 -4.004 -0.945 -3.165 369 H LEU 48 H LEU 48 -8.908 -3.212 -1.036 370 HA LEU 48 HA LEU 48 -6.877 -5.182 -1.062 371 HB2 LEU 48 HB3 LEU 48 -6.715 -2.846 -0.094 372 HB3 LEU 48 HB2 LEU 48 -7.610 -3.438 1.302 373 HG LEU 48 HG LEU 48 -5.835 -5.236 1.526 374 HD11 LEU 48 HD11 LEU 48 -4.950 -3.985 -0.910 375 HD12 LEU 48 HD12 LEU 48 -4.291 -5.406 -0.103 376 HD13 LEU 48 HD13 LEU 48 -3.702 -3.800 0.321 377 HD21 LEU 48 HD21 LEU 48 -5.243 -3.808 3.167 378 HD22 LEU 48 HD22 LEU 48 -5.781 -2.425 2.213 379 HD23 LEU 48 HD23 LEU 48 -4.138 -3.040 2.027 380 H GLU 49 H GLU 49 -9.717 -4.861 1.084 381 HA GLU 49 HA GLU 49 -8.989 -7.157 2.686 382 HB2 GLU 49 HB3 GLU 49 -11.114 -6.894 3.727 383 HB3 GLU 49 HB2 GLU 49 -10.570 -5.263 3.357 384 HG2 GLU 49 HG3 GLU 49 -12.729 -5.176 2.525 385 HG3 GLU 49 HG2 GLU 49 -11.855 -5.715 1.093 386 H ASP 50 H ASP 50 -11.020 -6.659 -0.174 387 HA ASP 50 HA ASP 50 -12.229 -9.234 -0.246 388 HB2 ASP 50 HB3 ASP 50 -12.841 -7.252 -1.670 389 HB3 ASP 50 HB2 ASP 50 -11.398 -7.577 -2.627 390 H ARG 51 H ARG 51 -9.105 -8.109 -1.479 391 HA ARG 51 HA ARG 51 -8.424 -10.419 -2.971 392 HB2 ARG 51 HB3 ARG 51 -6.633 -8.487 -1.498 393 HB3 ARG 51 HB2 ARG 51 -6.093 -9.632 -2.722 394 HG2 ARG 51 HG3 ARG 51 -8.334 -7.752 -3.372 395 HG3 ARG 51 HG2 ARG 51 -6.675 -7.153 -3.410 396 HD2 ARG 51 HD3 ARG 51 -7.676 -9.583 -4.928 397 HD3 ARG 51 HD2 ARG 51 -7.418 -7.989 -5.631 398 HE ARG 51 HE ARG 51 -5.031 -8.932 -4.300 399 HH11 ARG 51 HH22 ARG 51 -7.012 -9.227 -7.108 400 HH12 ARG 51 HH21 ARG 51 -5.709 -9.715 -8.138 401 HH21 ARG 51 HH11 ARG 51 -3.319 -9.567 -5.631 402 HH22 ARG 51 HH12 ARG 51 -3.617 -9.908 -7.302 403 H PHE 52 H PHE 52 -7.983 -9.743 0.503 404 HA PHE 52 HA PHE 52 -6.652 -12.374 0.784 405 HB2 PHE 52 HB3 PHE 52 -7.072 -10.067 2.700 406 HB3 PHE 52 HB2 PHE 52 -6.327 -11.595 3.161 407 HD1 PHE 52 HD2 PHE 52 -6.037 -8.701 0.849 408 HD2 PHE 52 HD1 PHE 52 -4.067 -12.100 2.585 409 HE1 PHE 52 HE2 PHE 52 -3.881 -7.936 -0.103 410 HE2 PHE 52 HE1 PHE 52 -1.908 -11.336 1.632 411 HZ PHE 52 HZ PHE 52 -1.815 -9.252 0.290 412 H GLY 53 H GLY 53 -9.772 -11.113 0.914 413 HA2 GLY 53 HA3 GLY 53 -11.783 -12.157 1.535 414 HA3 GLY 53 HA2 GLY 53 -10.843 -13.601 1.924 415 H ILE 54 H ILE 54 -10.137 -10.447 3.282 416 HA ILE 54 HA ILE 54 -10.880 -11.547 5.950 417 HB ILE 54 HB ILE 54 -9.251 -9.946 6.860 418 HG12 ILE 54 HG13 ILE 54 -8.854 -9.201 3.943 419 HG13 ILE 54 HG12 ILE 54 -9.559 -8.168 5.187 420 HG21 ILE 54 HG21 ILE 54 -8.478 -12.182 6.130 421 HG22 ILE 54 HG22 ILE 54 -7.223 -10.965 5.901 422 HG23 ILE 54 HG23 ILE 54 -8.159 -11.540 4.520 423 HD11 ILE 54 HD11 ILE 54 -6.731 -9.257 5.167 424 HD12 ILE 54 HD12 ILE 54 -7.432 -8.284 6.461 425 HD13 ILE 54 HD13 ILE 54 -7.203 -7.586 4.858 426 H ALA 55 H ALA 55 -11.961 -10.136 7.451 427 HA ALA 55 HA ALA 55 -13.578 -8.041 6.083 428 HB1 ALA 55 HB1 ALA 55 -15.293 -9.010 7.171 429 HB2 ALA 55 HB2 ALA 55 -14.559 -8.524 8.699 430 HB3 ALA 55 HB3 ALA 55 -14.184 -10.101 8.002 431 H ALA 56 H ALA 56 -13.925 -6.005 7.208 432 HA ALA 56 HA ALA 56 -11.567 -4.840 8.273 433 HB1 ALA 56 HB1 ALA 56 -14.450 -3.960 8.632 434 HB2 ALA 56 HB2 ALA 56 -13.388 -3.498 7.302 435 HB3 ALA 56 HB3 ALA 56 -13.034 -2.956 8.942 436 H ASP 57 H ASP 57 -14.142 -6.626 9.810 437 HA ASP 57 HA ASP 57 -14.436 -7.341 12.003 438 HB2 ASP 57 HB3 ASP 57 -12.105 -8.153 11.655 439 HB3 ASP 57 HB2 ASP 57 -11.517 -6.620 12.282 440 H ASP 58 H ASP 58 -15.079 -4.651 11.354 441 HA ASP 58 HA ASP 58 -15.588 -2.621 12.399 442 HB2 ASP 58 HB3 ASP 58 -15.277 -4.466 14.758 443 HB3 ASP 58 HB2 ASP 58 -15.891 -2.820 14.900 444 H VAL 59 H VAL 59 -12.913 -2.788 11.615 445 HA VAL 59 HA VAL 59 -11.523 -1.390 13.870 446 HB VAL 59 HB VAL 59 -10.264 -2.998 11.639 447 HG11 VAL 59 HG11 VAL 59 -9.159 -1.476 14.006 448 HG12 VAL 59 HG12 VAL 59 -8.756 -1.268 12.302 449 HG13 VAL 59 HG13 VAL 59 -8.230 -2.716 13.162 450 HG21 VAL 59 HG21 VAL 59 -11.313 -4.528 13.158 451 HG22 VAL 59 HG22 VAL 59 -10.782 -3.599 14.559 452 HG23 VAL 59 HG23 VAL 59 -9.606 -4.493 13.595 453 H GLU 60 H GLU 60 -10.813 0.665 13.411 454 HA GLU 60 HA GLU 60 -11.279 1.635 10.631 455 HB2 GLU 60 HB3 GLU 60 -12.423 2.811 12.523 456 HB3 GLU 60 HB2 GLU 60 -10.841 3.247 13.159 457 HG2 GLU 60 HG3 GLU 60 -10.328 4.376 11.007 458 HG3 GLU 60 HG2 GLU 60 -11.963 4.021 10.465 459 H LEU 61 H LEU 61 -9.559 2.207 9.382 460 HA LEU 61 HA LEU 61 -6.866 2.114 10.610 461 HB2 LEU 61 HB3 LEU 61 -7.671 2.163 7.688 462 HB3 LEU 61 HB2 LEU 61 -6.064 1.852 8.325 463 HG LEU 61 HG LEU 61 -8.514 0.147 8.774 464 HD11 LEU 61 HD11 LEU 61 -6.163 0.028 6.949 465 HD12 LEU 61 HD12 LEU 61 -7.815 -0.531 6.690 466 HD13 LEU 61 HD13 LEU 61 -6.702 -1.492 7.663 467 HD21 LEU 61 HD21 LEU 61 -5.774 0.176 9.991 468 HD22 LEU 61 HD22 LEU 61 -6.574 -1.375 9.734 469 HD23 LEU 61 HD23 LEU 61 -7.329 -0.151 10.756 470 H SER 62 H SER 62 -5.461 3.914 10.460 471 HA SER 62 HA SER 62 -6.801 6.467 9.918 472 HB2 SER 62 HB3 SER 62 -4.574 7.380 10.790 473 HB3 SER 62 HB2 SER 62 -5.527 6.446 11.938 474 HG SER 62 HG SER 62 -3.907 4.877 10.426 475 HA PRO 63 HA PRO 63 -5.153 6.920 5.846 476 HB2 PRO 63 HB2 PRO 63 -4.441 9.626 5.940 477 HB3 PRO 63 HB3 PRO 63 -6.048 8.995 5.539 478 HG2 PRO 63 HG3 PRO 63 -5.033 10.110 8.091 479 HG3 PRO 63 HG2 PRO 63 -6.649 10.213 7.371 480 HD2 PRO 63 HD3 PRO 63 -6.098 8.562 9.446 481 HD3 PRO 63 HD2 PRO 63 -7.298 8.146 8.200 482 H GLU 64 H GLU 64 -3.255 7.743 8.639 483 HA GLU 64 HA GLU 64 -0.778 8.342 7.327 484 HB2 GLU 64 HB3 GLU 64 -1.318 7.217 10.080 485 HB3 GLU 64 HB2 GLU 64 0.220 7.869 9.542 486 HG2 GLU 64 HG3 GLU 64 -0.896 10.037 9.084 487 HG3 GLU 64 HG2 GLU 64 -2.390 9.371 9.737 488 H HIS 65 H HIS 65 -2.390 5.371 8.247 489 HA HIS 65 HA HIS 65 -0.114 3.653 7.960 490 HB2 HIS 65 HB3 HIS 65 -1.906 2.610 9.036 491 HB3 HIS 65 HB2 HIS 65 -3.087 3.254 7.894 492 HD1 HIS 65 HD1 HIS 65 -4.015 1.345 6.590 493 HD2 HIS 65 HD2 HIS 65 0.094 0.940 7.189 494 HE1 HIS 65 HE1 HIS 65 -3.304 -0.729 5.317 495 HE2 HIS 65 HE2 HIS 65 -0.805 -0.977 5.667 496 H PHE 66 H PHE 66 -2.109 5.319 5.738 497 HA PHE 66 HA PHE 66 -1.261 3.598 3.484 498 HB2 PHE 66 HB3 PHE 66 -3.096 6.007 3.418 499 HB3 PHE 66 HB2 PHE 66 -2.917 4.766 2.181 500 HD1 PHE 66 HD2 PHE 66 -3.808 5.118 5.815 501 HD2 PHE 66 HD1 PHE 66 -4.390 2.963 2.144 502 HE1 PHE 66 HE2 PHE 66 -5.584 3.766 6.890 503 HE2 PHE 66 HE1 PHE 66 -6.168 1.614 3.225 504 HZ PHE 66 HZ PHE 66 -6.761 2.027 5.597 505 H ARG 67 H ARG 67 0.234 5.773 5.157 506 HA ARG 67 HA ARG 67 0.916 7.999 3.632 507 HB2 ARG 67 HB3 ARG 67 3.023 7.983 4.857 508 HB3 ARG 67 HB2 ARG 67 1.725 7.471 5.931 509 HG2 ARG 67 HG3 ARG 67 2.463 5.079 4.873 510 HG3 ARG 67 HG2 ARG 67 4.006 5.922 4.847 511 HD2 ARG 67 HD3 ARG 67 3.170 6.561 7.349 512 HD3 ARG 67 HD2 ARG 67 2.388 4.992 7.151 513 HE ARG 67 HE ARG 67 4.915 4.417 6.348 514 HH11 ARG 67 HH22 ARG 67 3.640 6.205 9.008 515 HH12 ARG 67 HH21 ARG 67 4.966 5.839 10.061 516 HH21 ARG 67 HH11 ARG 67 6.653 3.932 7.709 517 HH22 ARG 67 HH12 ARG 67 6.671 4.552 9.325 518 H SER 68 H SER 68 2.024 4.650 3.225 519 HA SER 68 HA SER 68 2.972 5.355 0.527 520 HB2 SER 68 HB3 SER 68 4.934 5.741 2.060 521 HB3 SER 68 HB2 SER 68 4.846 4.044 2.518 522 HG SER 68 HG SER 68 5.591 3.481 0.607 523 H ILE 69 H ILE 69 3.302 3.479 -0.796 524 HA ILE 69 HA ILE 69 1.499 1.344 -0.392 525 HB ILE 69 HB ILE 69 4.044 1.265 -2.034 526 HG12 ILE 69 HG13 ILE 69 1.980 1.974 -3.726 527 HG13 ILE 69 HG12 ILE 69 1.622 2.908 -2.275 528 HG21 ILE 69 HG21 ILE 69 1.758 0.093 -3.272 529 HG22 ILE 69 HG22 ILE 69 1.876 -0.539 -1.631 530 HG23 ILE 69 HG23 ILE 69 3.237 -0.705 -2.738 531 HD11 ILE 69 HD11 ILE 69 4.158 3.516 -2.329 532 HD12 ILE 69 HD12 ILE 69 3.071 4.328 -3.453 533 HD13 ILE 69 HD13 ILE 69 4.079 2.993 -4.010 534 H ARG 70 H ARG 70 4.874 1.789 0.454 535 HA ARG 70 HA ARG 70 5.613 -0.853 1.130 536 HB2 ARG 70 HB3 ARG 70 6.388 1.708 2.565 537 HB3 ARG 70 HB2 ARG 70 7.295 0.197 2.566 538 HG2 ARG 70 HG3 ARG 70 7.956 0.441 0.336 539 HG3 ARG 70 HG2 ARG 70 6.632 1.545 -0.039 540 HD2 ARG 70 HD3 ARG 70 8.700 2.821 0.099 541 HD3 ARG 70 HD2 ARG 70 7.678 3.246 1.471 542 HE ARG 70 HE ARG 70 9.434 1.096 2.204 543 HH11 ARG 70 HH22 ARG 70 9.339 4.458 1.449 544 HH12 ARG 70 HH21 ARG 70 10.705 4.855 2.438 545 HH21 ARG 70 HH11 ARG 70 11.219 1.594 3.499 546 HH22 ARG 70 HH12 ARG 70 11.769 3.233 3.598 547 H SER 71 H SER 71 4.070 1.655 3.143 548 HA SER 71 HA SER 71 3.912 0.050 5.517 549 HB2 SER 71 HB3 SER 71 3.648 2.544 5.446 550 HB3 SER 71 HB2 SER 71 2.076 2.315 4.688 551 HG SER 71 HG SER 71 2.690 2.250 7.265 552 H ILE 72 H ILE 72 1.636 0.595 2.836 553 HA ILE 72 HA ILE 72 -0.552 -0.844 3.929 554 HB ILE 72 HB ILE 72 0.259 -0.534 1.026 555 HG12 ILE 72 HG13 ILE 72 -1.556 1.163 2.773 556 HG13 ILE 72 HG12 ILE 72 0.072 1.616 2.267 557 HG21 ILE 72 HG21 ILE 72 -1.877 -1.943 2.305 558 HG22 ILE 72 HG22 ILE 72 -1.585 -1.731 0.579 559 HG23 ILE 72 HG23 ILE 72 -2.553 -0.551 1.461 560 HD11 ILE 72 HD11 ILE 72 -0.776 2.442 0.358 561 HD12 ILE 72 HD12 ILE 72 -2.391 1.905 0.820 562 HD13 ILE 72 HD13 ILE 72 -1.324 0.822 -0.073 563 H ASP 73 H ASP 73 2.129 -1.939 1.840 564 HA ASP 73 HA ASP 73 1.259 -4.635 1.566 565 HB2 ASP 73 HB3 ASP 73 3.189 -3.436 0.359 566 HB3 ASP 73 HB2 ASP 73 4.156 -3.815 1.780 567 H ALA 74 H ALA 74 3.247 -3.067 4.059 568 HA ALA 74 HA ALA 74 3.852 -5.477 5.494 569 HB1 ALA 74 HB1 ALA 74 3.607 -3.047 7.123 570 HB2 ALA 74 HB2 ALA 74 4.596 -2.829 5.678 571 HB3 ALA 74 HB3 ALA 74 5.011 -4.080 6.851 572 H PHE 75 H PHE 75 1.301 -3.027 5.918 573 HA PHE 75 HA PHE 75 0.068 -4.277 8.175 574 HB2 PHE 75 HB3 PHE 75 -0.382 -1.936 7.387 575 HB3 PHE 75 HB2 PHE 75 -1.289 -2.620 6.042 576 HD1 PHE 75 HD2 PHE 75 -1.170 -2.276 9.727 577 HD2 PHE 75 HD1 PHE 75 -3.478 -3.576 6.346 578 HE1 PHE 75 HE2 PHE 75 -3.169 -2.499 11.178 579 HE2 PHE 75 HE1 PHE 75 -5.478 -3.798 7.797 580 HZ PHE 75 HZ PHE 75 -5.323 -3.259 10.213 581 H VAL 76 H VAL 76 -0.526 -4.567 4.680 582 HA VAL 76 HA VAL 76 -2.721 -6.384 4.843 583 HB VAL 76 HB VAL 76 -0.595 -5.916 2.736 584 HG11 VAL 76 HG11 VAL 76 -3.077 -7.643 2.677 585 HG12 VAL 76 HG12 VAL 76 -1.411 -8.151 2.395 586 HG13 VAL 76 HG13 VAL 76 -2.224 -7.109 1.229 587 HG21 VAL 76 HG21 VAL 76 -3.450 -5.256 2.308 588 HG22 VAL 76 HG22 VAL 76 -2.007 -4.334 1.890 589 HG23 VAL 76 HG23 VAL 76 -2.630 -4.296 3.539 590 H VAL 77 H VAL 77 0.794 -6.955 4.499 591 HA VAL 77 HA VAL 77 0.563 -9.821 4.526 592 HB VAL 77 HB VAL 77 2.873 -7.957 5.139 593 HG11 VAL 77 HG11 VAL 77 2.573 -10.839 5.451 594 HG12 VAL 77 HG12 VAL 77 3.882 -9.785 5.980 595 HG13 VAL 77 HG13 VAL 77 3.874 -10.423 4.337 596 HG21 VAL 77 HG21 VAL 77 3.571 -8.433 2.885 597 HG22 VAL 77 HG22 VAL 77 1.866 -7.988 2.807 598 HG23 VAL 77 HG23 VAL 77 2.340 -9.683 2.706 599 H GLY 78 H GLY 78 1.209 -7.384 7.031 600 HA2 GLY 78 HA3 GLY 78 1.741 -9.140 9.194 601 HA3 GLY 78 HA2 GLY 78 1.065 -7.523 9.364 602 H ALA 79 H ALA 79 -1.231 -8.379 7.568 603 HA ALA 79 HA ALA 79 -3.048 -9.090 9.671 604 HB1 ALA 79 HB1 ALA 79 -4.247 -9.742 7.198 605 HB2 ALA 79 HB2 ALA 79 -3.200 -8.358 6.888 606 HB3 ALA 79 HB3 ALA 79 -4.450 -8.258 8.128 607 H THR 80 H THR 80 -1.349 -11.023 7.237 608 HA THR 80 HA THR 80 -2.582 -13.456 8.476 609 HB THR 80 HB THR 80 -2.506 -14.554 6.350 610 HG1 THR 80 HG1 THR 80 -0.468 -13.519 5.777 611 HG21 THR 80 HG21 THR 80 -4.081 -13.281 5.135 612 HG22 THR 80 HG22 THR 80 -3.371 -11.751 5.651 613 HG23 THR 80 HG23 THR 80 -4.284 -12.732 6.799 614 H THR 81 H THR 81 0.378 -12.016 7.198 615 HA THR 81 HA THR 81 1.882 -14.172 8.600 616 HB THR 81 HB THR 81 3.530 -13.441 6.517 617 HG1 THR 81 HG1 THR 81 1.374 -12.449 5.793 618 HG21 THR 81 HG21 THR 81 3.049 -15.726 7.383 619 HG22 THR 81 HG22 THR 81 3.017 -15.654 5.622 620 HG23 THR 81 HG23 THR 81 1.506 -15.694 6.530 621 HA PRO 82 HA PRO 82 4.187 -11.081 10.750 622 HB2 PRO 82 HB2 PRO 82 6.644 -12.226 9.512 623 HB3 PRO 82 HB3 PRO 82 6.290 -11.904 11.218 624 HG2 PRO 82 HG3 PRO 82 6.221 -14.378 10.127 625 HG3 PRO 82 HG2 PRO 82 5.231 -13.889 11.510 626 HD2 PRO 82 HD3 PRO 82 4.389 -14.483 8.755 627 HD3 PRO 82 HD2 PRO 82 3.409 -14.366 10.233 628 HA PRO 83 HA PRO 83 4.796 -7.909 7.698 629 HB2 PRO 83 HB2 PRO 83 6.506 -6.242 9.114 630 HB3 PRO 83 HB3 PRO 83 4.741 -6.252 9.252 631 HG2 PRO 83 HG3 PRO 83 6.785 -7.424 11.037 632 HG3 PRO 83 HG2 PRO 83 5.196 -6.748 11.424 633 HD2 PRO 83 HD3 PRO 83 5.714 -9.441 11.359 634 HD3 PRO 83 HD2 PRO 83 4.109 -8.747 11.051 635 H VAL 84 H VAL 84 6.325 -7.197 6.163 636 HA VAL 84 HA VAL 84 8.916 -8.673 6.242 637 HB VAL 84 HB VAL 84 7.551 -7.301 3.903 638 HG11 VAL 84 HG11 VAL 84 9.895 -7.447 3.476 639 HG12 VAL 84 HG12 VAL 84 9.175 -8.821 2.637 640 HG13 VAL 84 HG13 VAL 84 9.996 -9.062 4.179 641 HG21 VAL 84 HG21 VAL 84 6.824 -9.492 3.214 642 HG22 VAL 84 HG22 VAL 84 6.336 -9.300 4.898 643 HG23 VAL 84 HG23 VAL 84 7.755 -10.267 4.495 644 H GLU 85 H GLU 85 10.788 -7.524 6.481 645 HA GLU 85 HA GLU 85 12.080 -5.627 7.055 646 HB2 GLU 85 HB3 GLU 85 12.109 -5.757 4.527 647 HB3 GLU 85 HB2 GLU 85 10.809 -4.566 4.515 648 HG2 GLU 85 HG3 GLU 85 12.269 -3.014 5.819 649 HG3 GLU 85 HG2 GLU 85 13.576 -4.192 5.698 650 H ALA 86 H ALA 86 10.128 -5.419 8.763 651 HA ALA 86 HA ALA 86 8.142 -3.453 8.529 652 HB1 ALA 86 HB1 ALA 86 8.311 -3.225 11.000 653 HB2 ALA 86 HB2 ALA 86 9.827 -4.126 10.962 654 HB3 ALA 86 HB3 ALA 86 8.320 -4.914 10.492 655 H LYS 87 H LYS 87 8.103 -1.200 8.918 656 HA LYS 87 HA LYS 87 10.563 0.202 8.250 657 HB2 LYS 87 HB3 LYS 87 7.822 1.212 9.050 658 HB3 LYS 87 HB2 LYS 87 9.149 2.253 8.537 659 HG2 LYS 87 HG3 LYS 87 9.263 0.942 6.395 660 HG3 LYS 87 HG2 LYS 87 7.806 0.083 6.903 661 HD2 LYS 87 HD3 LYS 87 6.633 2.278 7.103 662 HD3 LYS 87 HD2 LYS 87 8.074 3.071 6.467 663 HE2 LYS 87 HE3 LYS 87 6.429 0.962 5.035 664 HE3 LYS 87 HE2 LYS 87 6.453 2.685 4.660 665 HZ1 LYS 87 HZ1 LYS 87 9.079 1.976 4.659 666 HZ2 LYS 87 HZ2 LYS 87 8.109 2.192 3.284 667 HZ3 LYS 87 HZ3 LYS 87 8.318 0.638 3.939 668 H LEU 88 H LEU 88 10.560 2.463 9.769 669 HA LEU 88 HA LEU 88 11.683 1.483 12.287 670 HB2 LEU 88 HB3 LEU 88 11.286 4.355 11.407 671 HB3 LEU 88 HB2 LEU 88 12.440 3.747 12.595 672 HG LEU 88 HG LEU 88 12.440 3.141 9.625 673 HD11 LEU 88 HD11 LEU 88 13.765 5.128 11.333 674 HD12 LEU 88 HD12 LEU 88 13.575 5.099 9.579 675 HD13 LEU 88 HD13 LEU 88 14.888 4.199 10.339 676 HD21 LEU 88 HD21 LEU 88 13.310 1.182 10.503 677 HD22 LEU 88 HD22 LEU 88 13.896 1.973 11.966 678 HD23 LEU 88 HD23 LEU 88 14.774 2.165 10.447 679 H GLN 89 H GLN 89 10.841 1.889 14.360 680 HA GLN 89 HA GLN 89 8.216 3.287 14.515 681 HB2 GLN 89 HB3 GLN 89 8.803 0.529 15.636 682 HB3 GLN 89 HB2 GLN 89 7.339 1.458 15.959 683 HG2 GLN 89 HG3 GLN 89 6.887 1.522 13.502 684 HG3 GLN 89 HG2 GLN 89 8.286 0.478 13.251 685 HE21 GLN 89 HE22 GLN 89 7.078 -0.488 16.178 686 HE22 GLN 89 HE21 GLN 89 6.030 -1.720 15.665 Start of MODEL 7 1 H1 SER -1 H1 SER -1 8.913 -8.575 -8.548 2 H2 SER -1 H2 SER -1 9.164 -7.066 -9.287 3 H3 SER -1 H3 SER -1 7.654 -7.836 -9.411 4 HA SER -1 HA SER -1 7.679 -5.986 -7.789 5 HB2 SER -1 HB3 SER -1 6.816 -7.545 -5.865 6 HB3 SER -1 HB2 SER -1 5.945 -7.503 -7.395 7 HG SER -1 HG SER -1 6.467 -9.513 -7.686 8 H GLU 0 H GLU 0 9.080 -4.914 -6.492 9 HA GLU 0 HA GLU 0 11.569 -6.001 -5.619 10 HB2 GLU 0 HB3 GLU 0 10.008 -3.617 -4.575 11 HB3 GLU 0 HB2 GLU 0 11.690 -3.968 -4.173 12 HG2 GLU 0 HG3 GLU 0 12.264 -3.875 -6.591 13 HG3 GLU 0 HG2 GLU 0 10.590 -3.445 -6.951 14 H MET 1 H MET 1 8.402 -5.810 -4.072 15 HA MET 1 HA MET 1 9.526 -7.222 -1.693 16 HB2 MET 1 HB3 MET 1 6.909 -5.704 -1.993 17 HB3 MET 1 HB2 MET 1 7.540 -6.410 -0.501 18 HG2 MET 1 HG3 MET 1 9.596 -4.950 -0.814 19 HG3 MET 1 HG2 MET 1 8.716 -4.128 -2.098 20 HE1 MET 1 HE1 MET 1 9.043 -5.193 1.384 21 HE2 MET 1 HE2 MET 1 7.304 -5.462 1.566 22 HE3 MET 1 HE3 MET 1 8.081 -4.109 2.385 23 H GLN 2 H GLN 2 6.282 -7.440 -1.584 24 HA GLN 2 HA GLN 2 6.267 -10.122 -2.910 25 HB2 GLN 2 HB3 GLN 2 5.861 -10.081 -0.425 26 HB3 GLN 2 HB2 GLN 2 4.430 -9.092 -0.722 27 HG2 GLN 2 HG3 GLN 2 3.654 -11.350 -0.568 28 HG3 GLN 2 HG2 GLN 2 3.631 -10.942 -2.283 29 HE21 GLN 2 HE22 GLN 2 4.568 -12.518 -3.580 30 HE22 GLN 2 HE21 GLN 2 5.792 -13.587 -3.092 31 H HIS 3 H HIS 3 5.280 -9.925 -4.891 32 HA HIS 3 HA HIS 3 3.825 -9.076 -6.546 33 HB2 HIS 3 HB3 HIS 3 1.910 -9.027 -4.187 34 HB3 HIS 3 HB2 HIS 3 1.468 -9.088 -5.893 35 HD1 HIS 3 HD1 HIS 3 0.538 -11.364 -4.061 36 HD2 HIS 3 HD2 HIS 3 4.127 -11.466 -6.186 37 HE1 HIS 3 HE1 HIS 3 1.165 -13.809 -4.295 38 HE2 HIS 3 HE2 HIS 3 3.348 -13.882 -5.586 39 H ALA 4 H ALA 4 5.415 -7.196 -4.855 40 HA ALA 4 HA ALA 4 3.955 -4.885 -4.128 41 HB1 ALA 4 HB1 ALA 4 6.506 -4.173 -5.276 42 HB2 ALA 4 HB2 ALA 4 6.665 -5.639 -4.308 43 HB3 ALA 4 HB3 ALA 4 6.013 -4.171 -3.582 44 H SER 5 H SER 5 5.439 -5.765 -7.254 45 HA SER 5 HA SER 5 4.738 -3.328 -8.593 46 HB2 SER 5 HB3 SER 5 5.259 -4.520 -10.645 47 HB3 SER 5 HB2 SER 5 6.433 -4.976 -9.416 48 HG SER 5 HG SER 5 4.518 -6.472 -10.687 49 H VAL 6 H VAL 6 2.978 -6.332 -8.030 50 HA VAL 6 HA VAL 6 0.890 -5.867 -9.936 51 HB VAL 6 HB VAL 6 0.906 -7.413 -7.342 52 HG11 VAL 6 HG11 VAL 6 -1.388 -6.894 -7.799 53 HG12 VAL 6 HG12 VAL 6 -1.129 -8.536 -8.390 54 HG13 VAL 6 HG13 VAL 6 -1.175 -7.186 -9.525 55 HG21 VAL 6 HG21 VAL 6 1.325 -8.110 -10.251 56 HG22 VAL 6 HG22 VAL 6 0.888 -9.334 -9.059 57 HG23 VAL 6 HG23 VAL 6 2.396 -8.433 -8.888 58 H ILE 7 H ILE 7 1.124 -5.113 -6.466 59 HA ILE 7 HA ILE 7 -1.431 -3.905 -6.198 60 HB ILE 7 HB ILE 7 1.142 -3.217 -4.747 61 HG12 ILE 7 HG13 ILE 7 -1.067 -5.131 -3.938 62 HG13 ILE 7 HG12 ILE 7 0.428 -5.649 -4.716 63 HG21 ILE 7 HG21 ILE 7 -0.531 -1.515 -4.360 64 HG22 ILE 7 HG22 ILE 7 -0.479 -2.551 -2.932 65 HG23 ILE 7 HG23 ILE 7 -1.781 -2.733 -4.107 66 HD11 ILE 7 HD11 ILE 7 0.493 -3.939 -2.236 67 HD12 ILE 7 HD12 ILE 7 1.757 -4.982 -2.889 68 HD13 ILE 7 HD13 ILE 7 0.334 -5.693 -2.124 69 H ALA 8 H ALA 8 1.738 -2.421 -6.909 70 HA ALA 8 HA ALA 8 0.761 0.247 -7.163 71 HB1 ALA 8 HB1 ALA 8 3.223 -0.827 -7.128 72 HB2 ALA 8 HB2 ALA 8 2.904 0.780 -7.780 73 HB3 ALA 8 HB3 ALA 8 3.047 -0.601 -8.867 74 H GLN 9 H GLN 9 1.234 -2.295 -9.640 75 HA GLN 9 HA GLN 9 0.460 -0.607 -11.836 76 HB2 GLN 9 HB3 GLN 9 1.732 -2.737 -12.077 77 HB3 GLN 9 HB2 GLN 9 0.275 -3.623 -11.626 78 HG2 GLN 9 HG3 GLN 9 -0.915 -2.574 -13.554 79 HG3 GLN 9 HG2 GLN 9 0.602 -1.813 -14.034 80 HE21 GLN 9 HE22 GLN 9 -1.197 -4.197 -15.128 81 HE22 GLN 9 HE21 GLN 9 -0.034 -5.375 -15.505 82 H PHE 10 H PHE 10 -1.381 -3.034 -9.968 83 HA PHE 10 HA PHE 10 -3.829 -2.525 -11.410 84 HB2 PHE 10 HB3 PHE 10 -4.270 -4.486 -10.414 85 HB3 PHE 10 HB2 PHE 10 -2.940 -4.272 -9.280 86 HD1 PHE 10 HD1 PHE 10 -6.333 -2.757 -9.911 87 HD2 PHE 10 HD2 PHE 10 -3.499 -4.242 -7.050 88 HE1 PHE 10 HE1 PHE 10 -7.945 -2.311 -8.078 89 HE2 PHE 10 HE2 PHE 10 -5.099 -3.796 -5.222 90 HZ PHE 10 HZ PHE 10 -7.330 -2.828 -5.732 91 H VAL 11 H VAL 11 -2.681 -1.481 -8.190 92 HA VAL 11 HA VAL 11 -4.994 0.035 -7.527 93 HB VAL 11 HB VAL 11 -2.972 -0.574 -6.038 94 HG11 VAL 11 HG11 VAL 11 -1.956 2.120 -6.934 95 HG12 VAL 11 HG12 VAL 11 -1.418 0.642 -7.732 96 HG13 VAL 11 HG13 VAL 11 -1.115 0.875 -6.011 97 HG21 VAL 11 HG21 VAL 11 -4.734 0.704 -5.077 98 HG22 VAL 11 HG22 VAL 11 -4.347 2.120 -6.056 99 HG23 VAL 11 HG23 VAL 11 -3.273 1.633 -4.745 100 H VAL 12 H VAL 12 -2.088 0.926 -9.373 101 HA VAL 12 HA VAL 12 -2.694 3.709 -9.615 102 HB VAL 12 HB VAL 12 -1.132 1.830 -11.385 103 HG11 VAL 12 HG11 VAL 12 -1.592 4.814 -11.596 104 HG12 VAL 12 HG12 VAL 12 -1.861 3.591 -12.838 105 HG13 VAL 12 HG13 VAL 12 -0.218 4.008 -12.353 106 HG21 VAL 12 HG21 VAL 12 -0.473 2.672 -8.944 107 HG22 VAL 12 HG22 VAL 12 0.013 4.116 -9.832 108 HG23 VAL 12 HG23 VAL 12 0.736 2.555 -10.222 109 H GLU 13 H GLU 13 -3.551 0.924 -11.680 110 HA GLU 13 HA GLU 13 -4.864 2.461 -13.690 111 HB2 GLU 13 HB3 GLU 13 -5.238 -0.391 -12.790 112 HB3 GLU 13 HB2 GLU 13 -6.040 0.292 -14.197 113 HG2 GLU 13 HG3 GLU 13 -3.840 0.878 -15.160 114 HG3 GLU 13 HG2 GLU 13 -3.055 0.142 -13.768 115 H GLU 14 H GLU 14 -6.059 1.045 -10.660 116 HA GLU 14 HA GLU 14 -8.824 1.699 -11.158 117 HB2 GLU 14 HB3 GLU 14 -8.073 0.001 -9.491 118 HB3 GLU 14 HB2 GLU 14 -7.432 1.308 -8.495 119 HG2 GLU 14 HG3 GLU 14 -9.708 2.314 -8.392 120 HG3 GLU 14 HG2 GLU 14 -10.330 0.943 -9.313 121 H PHE 15 H PHE 15 -6.217 3.362 -9.399 122 HA PHE 15 HA PHE 15 -8.002 5.594 -8.731 123 HB2 PHE 15 HB3 PHE 15 -6.208 4.859 -7.177 124 HB3 PHE 15 HB2 PHE 15 -5.004 5.347 -8.371 125 HD1 PHE 15 HD1 PHE 15 -7.810 6.610 -6.268 126 HD2 PHE 15 HD2 PHE 15 -4.346 7.612 -8.597 127 HE1 PHE 15 HE1 PHE 15 -7.935 8.946 -5.446 128 HE2 PHE 15 HE2 PHE 15 -4.472 9.951 -7.778 129 HZ PHE 15 HZ PHE 15 -6.266 10.617 -6.202 130 H LEU 16 H LEU 16 -5.020 5.260 -10.700 131 HA LEU 16 HA LEU 16 -5.938 7.657 -12.236 132 HB2 LEU 16 HB3 LEU 16 -3.312 6.908 -11.083 133 HB3 LEU 16 HB2 LEU 16 -3.289 7.652 -12.680 134 HG LEU 16 HG LEU 16 -4.908 8.832 -10.433 135 HD11 LEU 16 HD11 LEU 16 -2.963 9.272 -9.356 136 HD12 LEU 16 HD12 LEU 16 -2.628 10.398 -10.672 137 HD13 LEU 16 HD13 LEU 16 -1.995 8.753 -10.737 138 HD21 LEU 16 HD21 LEU 16 -4.727 9.385 -13.138 139 HD22 LEU 16 HD22 LEU 16 -3.612 10.553 -12.428 140 HD23 LEU 16 HD23 LEU 16 -5.295 10.513 -11.906 141 HA PRO 17 HA PRO 17 -5.580 4.032 -15.140 142 HB2 PRO 17 HB2 PRO 17 -7.785 4.737 -16.645 143 HB3 PRO 17 HB3 PRO 17 -7.821 3.628 -15.263 144 HG2 PRO 17 HG3 PRO 17 -8.657 6.454 -15.440 145 HG3 PRO 17 HG2 PRO 17 -9.284 5.146 -14.428 146 HD2 PRO 17 HD3 PRO 17 -7.636 7.164 -13.522 147 HD3 PRO 17 HD2 PRO 17 -7.805 5.585 -12.735 148 H ASP 18 H ASP 18 -5.633 7.453 -15.476 149 HA ASP 18 HA ASP 18 -4.909 7.333 -18.344 150 HB2 ASP 18 HB3 ASP 18 -6.486 9.083 -17.511 151 HB3 ASP 18 HB2 ASP 18 -5.170 9.743 -16.542 152 H VAL 19 H VAL 19 -3.250 6.767 -15.617 153 HA VAL 19 HA VAL 19 -0.795 8.174 -16.610 154 HB VAL 19 HB VAL 19 -1.349 7.234 -13.783 155 HG11 VAL 19 HG11 VAL 19 0.816 8.950 -15.031 156 HG12 VAL 19 HG12 VAL 19 1.020 7.356 -14.305 157 HG13 VAL 19 HG13 VAL 19 0.597 8.738 -13.293 158 HG21 VAL 19 HG21 VAL 19 -2.879 9.067 -14.449 159 HG22 VAL 19 HG22 VAL 19 -1.493 10.026 -14.969 160 HG23 VAL 19 HG23 VAL 19 -1.696 9.621 -13.265 161 H ALA 20 H ALA 20 0.956 6.891 -17.084 162 HA ALA 20 HA ALA 20 0.570 4.009 -17.157 163 HB1 ALA 20 HB1 ALA 20 1.851 4.775 -18.951 164 HB2 ALA 20 HB2 ALA 20 3.093 4.165 -17.856 165 HB3 ALA 20 HB3 ALA 20 2.768 5.895 -17.943 166 HA PRO 21 HA PRO 21 1.970 3.559 -12.842 167 HB2 PRO 21 HB2 PRO 21 2.436 0.757 -13.728 168 HB3 PRO 21 HB3 PRO 21 1.524 1.362 -12.333 169 HG2 PRO 21 HG3 PRO 21 0.332 0.391 -14.534 170 HG3 PRO 21 HG2 PRO 21 -0.381 1.667 -13.538 171 HD2 PRO 21 HD3 PRO 21 0.839 1.858 -16.235 172 HD3 PRO 21 HD2 PRO 21 -0.372 2.902 -15.458 173 H ALA 22 H ALA 22 3.717 2.534 -15.709 174 HA ALA 22 HA ALA 22 6.197 1.861 -14.440 175 HB1 ALA 22 HB1 ALA 22 6.878 2.876 -16.937 176 HB2 ALA 22 HB2 ALA 22 5.223 2.308 -17.161 177 HB3 ALA 22 HB3 ALA 22 6.467 1.198 -16.585 178 H ASP 23 H ASP 23 4.703 4.916 -15.218 179 HA ASP 23 HA ASP 23 7.225 6.398 -14.913 180 HB2 ASP 23 HB3 ASP 23 5.875 8.387 -15.315 181 HB3 ASP 23 HB2 ASP 23 5.460 7.154 -16.503 182 H VAL 24 H VAL 24 5.424 4.847 -12.727 183 HA VAL 24 HA VAL 24 5.589 7.037 -10.689 184 HB VAL 24 HB VAL 24 4.091 4.422 -10.441 185 HG11 VAL 24 HG11 VAL 24 4.744 5.806 -8.394 186 HG12 VAL 24 HG12 VAL 24 3.024 5.458 -8.576 187 HG13 VAL 24 HG13 VAL 24 3.652 7.048 -9.008 188 HG21 VAL 24 HG21 VAL 24 3.236 7.099 -11.560 189 HG22 VAL 24 HG22 VAL 24 2.067 5.970 -10.874 190 HG23 VAL 24 HG23 VAL 24 3.029 5.501 -12.276 191 H ASP 25 H ASP 25 7.064 6.792 -9.051 192 HA ASP 25 HA ASP 25 8.711 4.338 -9.060 193 HB2 ASP 25 HB3 ASP 25 9.749 6.623 -8.903 194 HB3 ASP 25 HB2 ASP 25 8.970 6.817 -7.330 195 H VAL 26 H VAL 26 8.115 2.665 -7.759 196 HA VAL 26 HA VAL 26 6.040 2.854 -5.802 197 HB VAL 26 HB VAL 26 7.197 0.787 -7.064 198 HG11 VAL 26 HG11 VAL 26 9.292 1.209 -5.627 199 HG12 VAL 26 HG12 VAL 26 8.688 -0.447 -5.689 200 HG13 VAL 26 HG13 VAL 26 8.353 0.561 -4.282 201 HG21 VAL 26 HG21 VAL 26 5.088 0.625 -5.901 202 HG22 VAL 26 HG22 VAL 26 5.883 0.777 -4.335 203 HG23 VAL 26 HG23 VAL 26 6.123 -0.675 -5.309 204 H ASP 27 H ASP 27 8.965 4.276 -5.664 205 HA ASP 27 HA ASP 27 9.370 3.757 -2.759 206 HB2 ASP 27 HB3 ASP 27 11.146 5.010 -4.870 207 HB3 ASP 27 HB2 ASP 27 11.550 4.949 -3.158 208 H LEU 28 H LEU 28 7.575 5.741 -4.569 209 HA LEU 28 HA LEU 28 8.279 8.246 -3.139 210 HB2 LEU 28 HB3 LEU 28 7.828 8.307 -5.594 211 HB3 LEU 28 HB2 LEU 28 6.179 7.773 -5.276 212 HG LEU 28 HG LEU 28 5.851 9.775 -3.824 213 HD11 LEU 28 HD11 LEU 28 7.754 11.575 -4.491 214 HD12 LEU 28 HD12 LEU 28 8.727 10.104 -4.508 215 HD13 LEU 28 HD13 LEU 28 7.859 10.569 -3.045 216 HD21 LEU 28 HD21 LEU 28 5.635 11.359 -5.647 217 HD22 LEU 28 HD22 LEU 28 5.284 9.751 -6.283 218 HD23 LEU 28 HD23 LEU 28 6.850 10.501 -6.594 219 H ASP 29 H ASP 29 6.998 9.066 -1.518 220 HA ASP 29 HA ASP 29 5.154 7.328 -0.200 221 HB2 ASP 29 HB3 ASP 29 5.552 10.321 0.084 222 HB3 ASP 29 HB2 ASP 29 4.628 9.316 1.201 223 H LEU 30 H LEU 30 2.913 7.291 -0.191 224 HA LEU 30 HA LEU 30 1.543 8.148 -2.572 225 HB2 LEU 30 HB3 LEU 30 0.623 6.950 0.047 226 HB3 LEU 30 HB2 LEU 30 -0.499 7.338 -1.261 227 HG LEU 30 HG LEU 30 1.937 5.559 -1.572 228 HD11 LEU 30 HD11 LEU 30 -0.484 4.125 -1.927 229 HD12 LEU 30 HD12 LEU 30 -0.648 5.023 -0.418 230 HD13 LEU 30 HD13 LEU 30 0.707 3.917 -0.645 231 HD21 LEU 30 HD21 LEU 30 0.103 4.984 -3.566 232 HD22 LEU 30 HD22 LEU 30 1.520 6.014 -3.761 233 HD23 LEU 30 HD23 LEU 30 -0.046 6.733 -3.401 234 H VAL 31 H VAL 31 1.713 9.425 0.721 235 HA VAL 31 HA VAL 31 -0.456 11.227 0.597 236 HB VAL 31 HB VAL 31 0.769 12.496 2.326 237 HG11 VAL 31 HG11 VAL 31 -0.102 10.862 3.607 238 HG12 VAL 31 HG12 VAL 31 1.463 10.057 3.501 239 HG13 VAL 31 HG13 VAL 31 0.185 9.656 2.353 240 HG21 VAL 31 HG21 VAL 31 3.018 10.898 1.203 241 HG22 VAL 31 HG22 VAL 31 3.030 11.206 2.938 242 HG23 VAL 31 HG23 VAL 31 3.015 12.556 1.802 243 H ASP 32 H ASP 32 2.950 11.766 -0.338 244 HA ASP 32 HA ASP 32 2.609 14.474 -1.173 245 HB2 ASP 32 HB3 ASP 32 4.542 12.339 -2.134 246 HB3 ASP 32 HB2 ASP 32 4.657 14.045 -2.567 247 H ASN 33 H ASN 33 2.051 11.392 -2.746 248 HA ASN 33 HA ASN 33 1.595 12.444 -5.390 249 HB2 ASN 33 HB3 ASN 33 0.760 9.874 -4.045 250 HB3 ASN 33 HB2 ASN 33 0.509 10.205 -5.752 251 HD21 ASN 33 HD22 ASN 33 2.192 8.051 -4.925 252 HD22 ASN 33 HD21 ASN 33 3.796 8.429 -5.335 253 H GLY 34 H GLY 34 -0.471 11.855 -2.588 254 HA2 GLY 34 HA3 GLY 34 -2.565 12.924 -2.160 255 HA3 GLY 34 HA2 GLY 34 -2.570 13.520 -3.823 256 H VAL 35 H VAL 35 -1.737 10.287 -3.813 257 HA VAL 35 HA VAL 35 -4.083 9.433 -5.174 258 HB VAL 35 HB VAL 35 -2.023 7.833 -3.626 259 HG11 VAL 35 HG11 VAL 35 -3.516 6.142 -3.848 260 HG12 VAL 35 HG12 VAL 35 -3.095 6.181 -5.561 261 HG13 VAL 35 HG13 VAL 35 -4.511 7.058 -4.980 262 HG21 VAL 35 HG21 VAL 35 -2.157 7.717 -6.573 263 HG22 VAL 35 HG22 VAL 35 -0.753 7.872 -5.518 264 HG23 VAL 35 HG23 VAL 35 -1.710 9.295 -5.928 265 H ILE 36 H ILE 36 -3.216 9.531 -1.775 266 HA ILE 36 HA ILE 36 -5.617 8.036 -0.979 267 HB ILE 36 HB ILE 36 -3.572 9.529 0.693 268 HG12 ILE 36 HG13 ILE 36 -3.885 6.563 0.137 269 HG13 ILE 36 HG12 ILE 36 -2.682 7.601 -0.615 270 HG21 ILE 36 HG21 ILE 36 -6.127 8.390 1.325 271 HG22 ILE 36 HG22 ILE 36 -4.961 9.138 2.417 272 HG23 ILE 36 HG23 ILE 36 -4.868 7.410 2.073 273 HD11 ILE 36 HD11 ILE 36 -2.959 7.219 2.372 274 HD12 ILE 36 HD12 ILE 36 -1.684 8.108 1.539 275 HD13 ILE 36 HD13 ILE 36 -1.796 6.357 1.367 276 H ASP 37 H ASP 37 -7.513 8.951 -0.515 277 HA ASP 37 HA ASP 37 -7.684 11.774 0.329 278 HB2 ASP 37 HB3 ASP 37 -7.836 11.692 -2.212 279 HB3 ASP 37 HB2 ASP 37 -9.318 10.755 -2.011 280 H ALA 38 H ALA 38 -10.410 12.069 0.354 281 HA ALA 38 HA ALA 38 -11.216 10.416 2.542 282 HB1 ALA 38 HB1 ALA 38 -12.353 12.494 2.331 283 HB2 ALA 38 HB2 ALA 38 -13.564 11.284 1.905 284 HB3 ALA 38 HB3 ALA 38 -12.744 12.196 0.637 285 H LEU 39 H LEU 39 -12.295 10.400 -0.857 286 HA LEU 39 HA LEU 39 -13.662 7.859 -0.591 287 HB2 LEU 39 HB3 LEU 39 -12.752 9.437 -3.003 288 HB3 LEU 39 HB2 LEU 39 -13.676 7.945 -3.114 289 HG LEU 39 HG LEU 39 -15.417 9.021 -1.647 290 HD11 LEU 39 HD11 LEU 39 -13.514 11.319 -1.989 291 HD12 LEU 39 HD12 LEU 39 -14.381 10.799 -0.545 292 HD13 LEU 39 HD13 LEU 39 -15.240 11.639 -1.835 293 HD21 LEU 39 HD21 LEU 39 -14.757 9.609 -4.428 294 HD22 LEU 39 HD22 LEU 39 -15.737 10.880 -3.698 295 HD23 LEU 39 HD23 LEU 39 -16.319 9.215 -3.711 296 H GLY 40 H GLY 40 -10.484 8.982 -1.514 297 HA2 GLY 40 HA3 GLY 40 -9.454 6.602 -2.659 298 HA3 GLY 40 HA2 GLY 40 -8.482 7.837 -1.855 299 H LEU 41 H LEU 41 -9.446 7.734 0.717 300 HA LEU 41 HA LEU 41 -8.104 5.456 1.800 301 HB2 LEU 41 HB3 LEU 41 -8.276 7.442 3.137 302 HB3 LEU 41 HB2 LEU 41 -10.035 7.445 3.013 303 HG LEU 41 HG LEU 41 -8.865 4.954 4.091 304 HD11 LEU 41 HD11 LEU 41 -8.507 7.634 5.404 305 HD12 LEU 41 HD12 LEU 41 -7.386 6.274 5.329 306 HD13 LEU 41 HD13 LEU 41 -8.787 6.205 6.398 307 HD21 LEU 41 HD21 LEU 41 -11.356 5.824 3.895 308 HD22 LEU 41 HD22 LEU 41 -10.961 6.670 5.391 309 HD23 LEU 41 HD23 LEU 41 -10.852 4.912 5.318 310 H LEU 42 H LEU 42 -11.555 6.193 1.361 311 HA LEU 42 HA LEU 42 -12.573 3.866 2.629 312 HB2 LEU 42 HB3 LEU 42 -14.103 5.623 2.072 313 HB3 LEU 42 HB2 LEU 42 -13.647 5.569 0.371 314 HG LEU 42 HG LEU 42 -14.654 3.376 0.113 315 HD11 LEU 42 HD11 LEU 42 -16.039 2.633 2.256 316 HD12 LEU 42 HD12 LEU 42 -14.768 3.519 3.098 317 HD13 LEU 42 HD13 LEU 42 -14.353 2.158 2.052 318 HD21 LEU 42 HD21 LEU 42 -16.563 4.508 -0.234 319 HD22 LEU 42 HD22 LEU 42 -16.102 5.719 0.962 320 HD23 LEU 42 HD23 LEU 42 -16.968 4.268 1.465 321 H LYS 43 H LYS 43 -11.667 4.405 -0.778 322 HA LYS 43 HA LYS 43 -12.404 1.796 -1.654 323 HB2 LYS 43 HB3 LYS 43 -10.324 3.720 -2.708 324 HB3 LYS 43 HB2 LYS 43 -10.805 2.248 -3.539 325 HG2 LYS 43 HG3 LYS 43 -13.166 3.072 -3.537 326 HG3 LYS 43 HG2 LYS 43 -12.596 4.587 -2.836 327 HD2 LYS 43 HD3 LYS 43 -11.084 4.886 -4.798 328 HD3 LYS 43 HD2 LYS 43 -11.771 3.428 -5.517 329 HE2 LYS 43 HE3 LYS 43 -12.947 6.136 -5.243 330 HE3 LYS 43 HE2 LYS 43 -13.212 4.912 -6.485 331 HZ1 LYS 43 HZ1 LYS 43 -14.691 3.747 -5.105 332 HZ2 LYS 43 HZ2 LYS 43 -15.136 5.377 -4.954 333 HZ3 LYS 43 HZ3 LYS 43 -14.240 4.626 -3.723 334 H VAL 44 H VAL 44 -9.468 3.059 -0.163 335 HA VAL 44 HA VAL 44 -7.762 0.843 -0.663 336 HB VAL 44 HB VAL 44 -7.849 2.828 1.609 337 HG11 VAL 44 HG11 VAL 44 -5.285 1.871 1.525 338 HG12 VAL 44 HG12 VAL 44 -6.210 0.406 1.197 339 HG13 VAL 44 HG13 VAL 44 -6.509 1.326 2.672 340 HG21 VAL 44 HG21 VAL 44 -7.314 3.409 -0.898 341 HG22 VAL 44 HG22 VAL 44 -5.772 2.624 -0.558 342 HG23 VAL 44 HG23 VAL 44 -6.267 4.036 0.375 343 H ILE 45 H ILE 45 -9.798 1.497 2.201 344 HA ILE 45 HA ILE 45 -9.174 -1.001 3.466 345 HB ILE 45 HB ILE 45 -11.437 0.970 3.821 346 HG12 ILE 45 HG13 ILE 45 -10.108 1.129 6.092 347 HG13 ILE 45 HG12 ILE 45 -8.790 0.431 5.156 348 HG21 ILE 45 HG21 ILE 45 -10.846 -1.634 5.207 349 HG22 ILE 45 HG22 ILE 45 -12.383 -1.044 4.576 350 HG23 ILE 45 HG23 ILE 45 -11.698 -0.333 6.037 351 HD11 ILE 45 HD11 ILE 45 -8.812 2.953 5.196 352 HD12 ILE 45 HD12 ILE 45 -10.327 2.896 4.296 353 HD13 ILE 45 HD13 ILE 45 -8.849 2.254 3.579 354 H ALA 46 H ALA 46 -11.871 -0.008 1.360 355 HA ALA 46 HA ALA 46 -13.393 -2.411 1.704 356 HB1 ALA 46 HB1 ALA 46 -14.553 -1.683 -0.375 357 HB2 ALA 46 HB2 ALA 46 -13.330 -0.429 -0.578 358 HB3 ALA 46 HB3 ALA 46 -14.406 -0.394 0.819 359 H TRP 47 H TRP 47 -11.172 -1.490 -0.975 360 HA TRP 47 HA TRP 47 -11.494 -4.118 -2.197 361 HB2 TRP 47 HB3 TRP 47 -10.748 -2.971 -3.974 362 HB3 TRP 47 HB2 TRP 47 -10.369 -1.590 -2.946 363 HD1 TRP 47 HD1 TRP 47 -8.771 -5.013 -3.825 364 HE1 TRP 47 HE1 TRP 47 -6.210 -4.697 -3.890 365 HE3 TRP 47 HE3 TRP 47 -8.475 -0.108 -2.547 366 HZ2 TRP 47 HZ2 TRP 47 -4.287 -2.613 -3.456 367 HZ3 TRP 47 HZ3 TRP 47 -6.277 1.038 -2.381 368 HH2 TRP 47 HH2 TRP 47 -4.185 -0.212 -2.835 369 H LEU 48 H LEU 48 -8.915 -2.508 -0.347 370 HA LEU 48 HA LEU 48 -7.007 -4.588 -0.558 371 HB2 LEU 48 HB3 LEU 48 -6.621 -2.271 0.384 372 HB3 LEU 48 HB2 LEU 48 -7.424 -2.812 1.856 373 HG LEU 48 HG LEU 48 -5.738 -4.740 1.871 374 HD11 LEU 48 HD11 LEU 48 -4.208 -4.864 0.224 375 HD12 LEU 48 HD12 LEU 48 -3.685 -3.213 0.548 376 HD13 LEU 48 HD13 LEU 48 -5.005 -3.514 -0.580 377 HD21 LEU 48 HD21 LEU 48 -5.079 -3.382 3.557 378 HD22 LEU 48 HD22 LEU 48 -5.462 -1.932 2.628 379 HD23 LEU 48 HD23 LEU 48 -3.898 -2.723 2.424 380 H GLU 49 H GLU 49 -9.619 -4.117 1.823 381 HA GLU 49 HA GLU 49 -8.887 -6.447 3.373 382 HB2 GLU 49 HB3 GLU 49 -10.810 -5.967 4.645 383 HB3 GLU 49 HB2 GLU 49 -10.279 -4.391 4.086 384 HG2 GLU 49 HG3 GLU 49 -11.864 -4.635 2.157 385 HG3 GLU 49 HG2 GLU 49 -12.483 -6.082 2.930 386 H ASP 50 H ASP 50 -11.144 -5.815 0.725 387 HA ASP 50 HA ASP 50 -12.560 -8.270 0.787 388 HB2 ASP 50 HB3 ASP 50 -13.120 -6.252 -0.598 389 HB3 ASP 50 HB2 ASP 50 -11.804 -6.705 -1.679 390 H ARG 51 H ARG 51 -9.480 -7.460 -0.785 391 HA ARG 51 HA ARG 51 -9.194 -9.848 -2.280 392 HB2 ARG 51 HB3 ARG 51 -7.126 -8.016 -1.078 393 HB3 ARG 51 HB2 ARG 51 -6.744 -9.315 -2.203 394 HG2 ARG 51 HG3 ARG 51 -8.296 -8.313 -3.860 395 HG3 ARG 51 HG2 ARG 51 -8.604 -6.988 -2.739 396 HD2 ARG 51 HD3 ARG 51 -6.917 -6.260 -4.318 397 HD3 ARG 51 HD2 ARG 51 -6.139 -6.491 -2.753 398 HE ARG 51 HE ARG 51 -5.940 -8.924 -4.225 399 HH11 ARG 51 HH22 ARG 51 -4.854 -5.653 -4.212 400 HH12 ARG 51 HH21 ARG 51 -3.352 -6.008 -4.999 401 HH21 ARG 51 HH11 ARG 51 -3.986 -9.409 -5.253 402 HH22 ARG 51 HH12 ARG 51 -2.861 -8.134 -5.589 403 H PHE 52 H PHE 52 -8.309 -9.184 1.114 404 HA PHE 52 HA PHE 52 -7.272 -11.957 1.300 405 HB2 PHE 52 HB3 PHE 52 -7.129 -9.575 3.159 406 HB3 PHE 52 HB2 PHE 52 -6.551 -11.181 3.597 407 HD1 PHE 52 HD1 PHE 52 -6.225 -8.534 0.986 408 HD2 PHE 52 HD2 PHE 52 -4.415 -11.919 2.914 409 HE1 PHE 52 HE1 PHE 52 -4.124 -8.120 -0.261 410 HE2 PHE 52 HE2 PHE 52 -2.311 -11.504 1.668 411 HZ PHE 52 HZ PHE 52 -2.165 -9.605 0.079 412 H GLY 53 H GLY 53 -10.170 -10.306 1.807 413 HA2 GLY 53 HA3 GLY 53 -12.189 -11.068 2.737 414 HA3 GLY 53 HA2 GLY 53 -11.402 -12.628 3.001 415 H ILE 54 H ILE 54 -10.110 -9.602 4.207 416 HA ILE 54 HA ILE 54 -10.576 -10.622 6.968 417 HB ILE 54 HB ILE 54 -8.652 -9.209 7.597 418 HG12 ILE 54 HG13 ILE 54 -8.578 -8.576 4.628 419 HG13 ILE 54 HG12 ILE 54 -9.001 -7.440 5.909 420 HG21 ILE 54 HG21 ILE 54 -8.239 -11.523 6.880 421 HG22 ILE 54 HG22 ILE 54 -6.924 -10.479 6.340 422 HG23 ILE 54 HG23 ILE 54 -8.162 -11.001 5.198 423 HD11 ILE 54 HD11 ILE 54 -6.336 -8.852 5.612 424 HD12 ILE 54 HD12 ILE 54 -6.759 -7.728 6.903 425 HD13 ILE 54 HD13 ILE 54 -6.650 -7.158 5.238 426 H ALA 55 H ALA 55 -11.242 -9.086 8.604 427 HA ALA 55 HA ALA 55 -12.828 -6.848 7.450 428 HB1 ALA 55 HB1 ALA 55 -13.414 -8.780 9.393 429 HB2 ALA 55 HB2 ALA 55 -14.374 -7.348 9.016 430 HB3 ALA 55 HB3 ALA 55 -13.172 -7.290 10.305 431 H ALA 56 H ALA 56 -12.201 -4.766 7.794 432 HA ALA 56 HA ALA 56 -9.688 -4.164 9.050 433 HB1 ALA 56 HB1 ALA 56 -10.150 -2.503 7.546 434 HB2 ALA 56 HB2 ALA 56 -10.904 -1.743 8.948 435 HB3 ALA 56 HB3 ALA 56 -11.892 -2.630 7.787 436 H ASP 57 H ASP 57 -12.998 -4.226 10.197 437 HA ASP 57 HA ASP 57 -12.786 -2.621 12.503 438 HB2 ASP 57 HB3 ASP 57 -14.877 -3.727 11.617 439 HB3 ASP 57 HB2 ASP 57 -14.305 -5.224 12.347 440 H ASP 58 H ASP 58 -11.741 -5.961 11.982 441 HA ASP 58 HA ASP 58 -11.199 -6.672 14.662 442 HB2 ASP 58 HB3 ASP 58 -9.765 -7.441 12.118 443 HB3 ASP 58 HB2 ASP 58 -9.472 -8.210 13.676 444 H VAL 59 H VAL 59 -9.200 -4.877 12.343 445 HA VAL 59 HA VAL 59 -7.463 -4.065 14.639 446 HB VAL 59 HB VAL 59 -6.537 -4.591 11.810 447 HG11 VAL 59 HG11 VAL 59 -5.156 -3.749 14.361 448 HG12 VAL 59 HG12 VAL 59 -5.137 -2.936 12.796 449 HG13 VAL 59 HG13 VAL 59 -4.275 -4.460 13.009 450 HG21 VAL 59 HG21 VAL 59 -6.487 -6.246 14.327 451 HG22 VAL 59 HG22 VAL 59 -5.247 -6.459 13.091 452 HG23 VAL 59 HG23 VAL 59 -6.944 -6.736 12.696 453 H GLU 60 H GLU 60 -7.138 -1.864 14.787 454 HA GLU 60 HA GLU 60 -8.627 -0.150 12.945 455 HB2 GLU 60 HB3 GLU 60 -6.783 0.539 15.252 456 HB3 GLU 60 HB2 GLU 60 -7.801 1.688 14.394 457 HG2 GLU 60 HG3 GLU 60 -9.792 0.360 15.035 458 HG3 GLU 60 HG2 GLU 60 -8.751 -0.715 15.959 459 H LEU 61 H LEU 61 -7.788 0.766 11.134 460 HA LEU 61 HA LEU 61 -4.838 0.697 10.768 461 HB2 LEU 61 HB3 LEU 61 -7.103 0.832 8.761 462 HB3 LEU 61 HB2 LEU 61 -5.396 0.890 8.342 463 HG LEU 61 HG LEU 61 -5.359 -1.326 9.840 464 HD11 LEU 61 HD11 LEU 61 -7.991 -1.712 8.475 465 HD12 LEU 61 HD12 LEU 61 -7.979 -0.879 10.027 466 HD13 LEU 61 HD13 LEU 61 -7.342 -2.518 9.902 467 HD21 LEU 61 HD21 LEU 61 -5.896 -2.556 7.600 468 HD22 LEU 61 HD22 LEU 61 -4.522 -1.452 7.645 469 HD23 LEU 61 HD23 LEU 61 -6.050 -0.930 6.935 470 H SER 62 H SER 62 -3.752 2.624 10.317 471 HA SER 62 HA SER 62 -5.404 5.090 10.428 472 HB2 SER 62 HB3 SER 62 -3.898 5.693 12.004 473 HB3 SER 62 HB2 SER 62 -2.881 4.302 11.638 474 HG SER 62 HG SER 62 -2.507 6.859 10.996 475 HA PRO 63 HA PRO 63 -4.454 5.805 6.162 476 HB2 PRO 63 HB2 PRO 63 -4.229 8.581 6.208 477 HB3 PRO 63 HB3 PRO 63 -5.750 7.683 6.076 478 HG2 PRO 63 HG3 PRO 63 -4.506 8.967 8.442 479 HG3 PRO 63 HG2 PRO 63 -6.216 8.813 8.005 480 HD2 PRO 63 HD3 PRO 63 -5.060 7.271 9.917 481 HD3 PRO 63 HD2 PRO 63 -6.390 6.681 8.896 482 H GLU 64 H GLU 64 -2.361 6.946 8.686 483 HA GLU 64 HA GLU 64 -0.238 7.973 7.048 484 HB2 GLU 64 HB3 GLU 64 -0.134 6.808 9.835 485 HB3 GLU 64 HB2 GLU 64 1.100 7.813 9.094 486 HG2 GLU 64 HG3 GLU 64 -0.584 9.626 8.848 487 HG3 GLU 64 HG2 GLU 64 -1.739 8.621 9.717 488 H HIS 65 H HIS 65 -1.159 4.773 8.109 489 HA HIS 65 HA HIS 65 1.360 3.514 7.604 490 HB2 HIS 65 HB3 HIS 65 0.142 1.944 8.682 491 HB3 HIS 65 HB2 HIS 65 -1.384 2.670 8.180 492 HD1 HIS 65 HD1 HIS 65 -2.696 1.281 6.588 493 HD2 HIS 65 HD2 HIS 65 1.387 0.474 6.305 494 HE1 HIS 65 HE1 HIS 65 -2.446 -0.561 4.864 495 HE2 HIS 65 HE2 HIS 65 0.033 -1.060 4.687 496 H PHE 66 H PHE 66 -1.093 4.742 5.535 497 HA PHE 66 HA PHE 66 -0.132 3.134 3.242 498 HB2 PHE 66 HB3 PHE 66 -2.306 5.239 3.294 499 HB3 PHE 66 HB2 PHE 66 -2.016 4.049 2.025 500 HD1 PHE 66 HD1 PHE 66 -2.813 4.347 5.660 501 HD2 PHE 66 HD2 PHE 66 -3.073 1.946 2.111 502 HE1 PHE 66 HE1 PHE 66 -4.295 2.753 6.848 503 HE2 PHE 66 HE2 PHE 66 -4.547 0.346 3.303 504 HZ PHE 66 HZ PHE 66 -5.159 0.758 5.672 505 H ARG 67 H ARG 67 1.093 5.612 4.771 506 HA ARG 67 HA ARG 67 1.317 7.819 3.086 507 HB2 ARG 67 HB3 ARG 67 3.379 8.295 4.221 508 HB3 ARG 67 HB2 ARG 67 2.318 7.504 5.384 509 HG2 ARG 67 HG3 ARG 67 3.554 5.353 4.224 510 HG3 ARG 67 HG2 ARG 67 4.841 6.554 4.188 511 HD2 ARG 67 HD3 ARG 67 4.021 6.958 6.706 512 HD3 ARG 67 HD2 ARG 67 3.498 5.282 6.528 513 HE ARG 67 HE ARG 67 6.047 5.129 5.622 514 HH11 ARG 67 HH22 ARG 67 4.613 6.692 8.342 515 HH12 ARG 67 HH21 ARG 67 6.021 6.541 9.338 516 HH21 ARG 67 HH11 ARG 67 7.894 4.922 6.910 517 HH22 ARG 67 HH12 ARG 67 7.878 5.538 8.529 518 H SER 68 H SER 68 2.570 4.610 2.587 519 HA SER 68 HA SER 68 3.638 5.504 -0.027 520 HB2 SER 68 HB3 SER 68 5.563 5.578 1.536 521 HB3 SER 68 HB2 SER 68 5.284 3.887 1.942 522 HG SER 68 HG SER 68 5.336 3.978 -0.658 523 H ILE 69 H ILE 69 3.614 3.844 -1.598 524 HA ILE 69 HA ILE 69 1.678 1.795 -1.313 525 HB ILE 69 HB ILE 69 3.975 1.640 -3.260 526 HG12 ILE 69 HG13 ILE 69 2.078 3.093 -4.577 527 HG13 ILE 69 HG12 ILE 69 1.919 3.742 -2.946 528 HG21 ILE 69 HG21 ILE 69 2.469 0.472 -4.599 529 HG22 ILE 69 HG22 ILE 69 1.065 1.212 -3.830 530 HG23 ILE 69 HG23 ILE 69 1.972 -0.041 -2.986 531 HD11 ILE 69 HD11 ILE 69 3.605 5.111 -3.747 532 HD12 ILE 69 HD12 ILE 69 4.252 3.863 -4.810 533 HD13 ILE 69 HD13 ILE 69 4.575 3.803 -3.078 534 H ARG 70 H ARG 70 5.198 1.749 -0.969 535 HA ARG 70 HA ARG 70 5.585 -1.041 -0.757 536 HB2 ARG 70 HB3 ARG 70 7.632 -0.451 0.510 537 HB3 ARG 70 HB2 ARG 70 7.436 0.575 -0.912 538 HG2 ARG 70 HG3 ARG 70 6.100 2.106 0.793 539 HG3 ARG 70 HG2 ARG 70 7.082 1.258 1.984 540 HD2 ARG 70 HD3 ARG 70 8.242 2.638 -0.452 541 HD3 ARG 70 HD2 ARG 70 8.104 3.408 1.128 542 HE ARG 70 HE ARG 70 10.024 1.328 0.391 543 HH11 ARG 70 HH22 ARG 70 8.252 2.923 2.881 544 HH12 ARG 70 HH21 ARG 70 9.381 2.515 4.129 545 HH21 ARG 70 HH11 ARG 70 11.510 0.786 2.007 546 HH22 ARG 70 HH12 ARG 70 11.225 1.306 3.635 547 H SER 71 H SER 71 4.664 1.347 1.692 548 HA SER 71 HA SER 71 4.746 -0.422 3.938 549 HB2 SER 71 HB3 SER 71 3.400 1.279 5.052 550 HB3 SER 71 HB2 SER 71 4.643 2.062 4.082 551 HG SER 71 HG SER 71 3.143 2.860 2.833 552 H ILE 72 H ILE 72 2.212 0.308 1.564 553 HA ILE 72 HA ILE 72 0.080 -0.997 2.922 554 HB ILE 72 HB ILE 72 0.532 -0.672 -0.058 555 HG12 ILE 72 HG13 ILE 72 -0.936 1.076 1.946 556 HG13 ILE 72 HG12 ILE 72 0.615 1.461 1.201 557 HG21 ILE 72 HG21 ILE 72 -1.207 -2.319 0.497 558 HG22 ILE 72 HG22 ILE 72 -1.929 -0.855 -0.171 559 HG23 ILE 72 HG23 ILE 72 -1.979 -1.151 1.567 560 HD11 ILE 72 HD11 ILE 72 -1.078 2.610 -0.066 561 HD12 ILE 72 HD12 ILE 72 -2.057 1.149 -0.187 562 HD13 ILE 72 HD13 ILE 72 -0.524 1.256 -1.051 563 H ASP 73 H ASP 73 2.376 -2.236 0.462 564 HA ASP 73 HA ASP 73 1.268 -4.869 0.371 565 HB2 ASP 73 HB3 ASP 73 3.227 -5.486 -0.801 566 HB3 ASP 73 HB2 ASP 73 3.019 -3.782 -1.190 567 H ALA 74 H ALA 74 3.780 -3.421 2.424 568 HA ALA 74 HA ALA 74 4.505 -5.857 3.757 569 HB1 ALA 74 HB1 ALA 74 4.654 -3.074 4.934 570 HB2 ALA 74 HB2 ALA 74 5.809 -3.669 3.740 571 HB3 ALA 74 HB3 ALA 74 5.676 -4.460 5.311 572 H PHE 75 H PHE 75 2.217 -3.258 4.606 573 HA PHE 75 HA PHE 75 1.392 -4.405 7.092 574 HB2 PHE 75 HB3 PHE 75 0.905 -2.058 6.325 575 HB3 PHE 75 HB2 PHE 75 -0.300 -2.733 5.231 576 HD1 PHE 75 HD2 PHE 75 0.593 -2.154 8.760 577 HD2 PHE 75 HD1 PHE 75 -2.369 -3.713 6.067 578 HE1 PHE 75 HE2 PHE 75 -1.049 -2.245 10.617 579 HE2 PHE 75 HE1 PHE 75 -4.009 -3.804 7.924 580 HZ PHE 75 HZ PHE 75 -3.350 -3.070 10.199 581 H VAL 76 H VAL 76 0.110 -4.723 3.789 582 HA VAL 76 HA VAL 76 -2.105 -6.395 4.413 583 HB VAL 76 HB VAL 76 -0.361 -6.150 1.948 584 HG11 VAL 76 HG11 VAL 76 -1.355 -8.336 1.868 585 HG12 VAL 76 HG12 VAL 76 -2.295 -7.290 0.807 586 HG13 VAL 76 HG13 VAL 76 -2.912 -7.707 2.406 587 HG21 VAL 76 HG21 VAL 76 -1.916 -4.255 2.866 588 HG22 VAL 76 HG22 VAL 76 -3.224 -5.275 2.266 589 HG23 VAL 76 HG23 VAL 76 -1.997 -4.668 1.154 590 H VAL 77 H VAL 77 1.254 -7.203 3.490 591 HA VAL 77 HA VAL 77 0.881 -10.047 3.729 592 HB VAL 77 HB VAL 77 3.337 -8.271 3.768 593 HG11 VAL 77 HG11 VAL 77 2.998 -11.127 4.367 594 HG12 VAL 77 HG12 VAL 77 4.369 -10.065 4.687 595 HG13 VAL 77 HG13 VAL 77 4.178 -10.805 3.096 596 HG21 VAL 77 HG21 VAL 77 3.377 -8.555 1.506 597 HG22 VAL 77 HG22 VAL 77 1.666 -8.934 1.700 598 HG23 VAL 77 HG23 VAL 77 2.853 -10.236 1.612 599 H GLY 78 H GLY 78 2.103 -7.521 5.903 600 HA2 GLY 78 HA3 GLY 78 2.777 -9.307 8.059 601 HA3 GLY 78 HA2 GLY 78 2.557 -7.565 8.204 602 H ALA 79 H ALA 79 -0.220 -7.972 6.935 603 HA ALA 79 HA ALA 79 -1.670 -8.063 9.411 604 HB1 ALA 79 HB1 ALA 79 -3.157 -7.071 8.042 605 HB2 ALA 79 HB2 ALA 79 -3.474 -8.651 7.323 606 HB3 ALA 79 HB3 ALA 79 -2.253 -7.591 6.619 607 H THR 80 H THR 80 -1.028 -10.489 6.911 608 HA THR 80 HA THR 80 -2.700 -12.467 8.314 609 HB THR 80 HB THR 80 -2.123 -13.960 6.477 610 HG1 THR 80 HG1 THR 80 -0.199 -11.964 6.007 611 HG21 THR 80 HG21 THR 80 -2.772 -12.418 4.529 612 HG22 THR 80 HG22 THR 80 -2.785 -11.113 5.716 613 HG23 THR 80 HG23 THR 80 -3.886 -12.480 5.894 614 H THR 81 H THR 81 0.649 -11.541 8.086 615 HA THR 81 HA THR 81 1.299 -13.742 9.976 616 HB THR 81 HB THR 81 3.654 -13.358 8.643 617 HG1 THR 81 HG1 THR 81 3.194 -12.459 6.821 618 HG21 THR 81 HG21 THR 81 2.631 -15.517 9.218 619 HG22 THR 81 HG22 THR 81 3.132 -15.499 7.528 620 HG23 THR 81 HG23 THR 81 1.431 -15.291 7.945 621 HA PRO 82 HA PRO 82 3.051 -10.833 12.803 622 HB2 PRO 82 HB2 PRO 82 5.645 -12.242 12.369 623 HB3 PRO 82 HB3 PRO 82 4.835 -11.816 13.886 624 HG2 PRO 82 HG3 PRO 82 4.819 -14.312 12.857 625 HG3 PRO 82 HG2 PRO 82 3.508 -13.659 13.852 626 HD2 PRO 82 HD3 PRO 82 3.500 -14.298 10.984 627 HD3 PRO 82 HD2 PRO 82 2.129 -13.983 12.070 628 HA PRO 83 HA PRO 83 4.704 -8.197 9.394 629 HB2 PRO 83 HB2 PRO 83 4.276 -6.070 11.396 630 HB3 PRO 83 HB3 PRO 83 3.669 -6.194 9.737 631 HG2 PRO 83 HG3 PRO 83 2.109 -6.529 11.916 632 HG3 PRO 83 HG2 PRO 83 1.802 -7.318 10.362 633 HD2 PRO 83 HD3 PRO 83 2.850 -8.489 12.885 634 HD3 PRO 83 HD2 PRO 83 1.947 -9.265 11.566 635 H VAL 84 H VAL 84 6.747 -7.262 9.124 636 HA VAL 84 HA VAL 84 8.565 -7.462 11.479 637 HB VAL 84 HB VAL 84 10.387 -7.520 9.817 638 HG11 VAL 84 HG11 VAL 84 9.585 -9.679 10.346 639 HG12 VAL 84 HG12 VAL 84 9.567 -9.645 8.583 640 HG13 VAL 84 HG13 VAL 84 8.068 -9.422 9.486 641 HG21 VAL 84 HG21 VAL 84 8.190 -6.632 8.077 642 HG22 VAL 84 HG22 VAL 84 9.145 -7.941 7.382 643 HG23 VAL 84 HG23 VAL 84 9.931 -6.440 7.872 644 H GLU 85 H GLU 85 9.707 -5.653 12.170 645 HA GLU 85 HA GLU 85 9.902 -3.326 12.559 646 HB2 GLU 85 HB3 GLU 85 10.463 -3.529 9.583 647 HB3 GLU 85 HB2 GLU 85 10.909 -2.166 10.609 648 HG2 GLU 85 HG3 GLU 85 12.267 -3.697 12.018 649 HG3 GLU 85 HG2 GLU 85 11.868 -5.024 10.927 650 H ALA 86 H ALA 86 7.189 -4.015 12.248 651 HA ALA 86 HA ALA 86 5.791 -2.553 10.251 652 HB1 ALA 86 HB1 ALA 86 4.048 -3.523 11.293 653 HB2 ALA 86 HB2 ALA 86 4.309 -2.502 12.707 654 HB3 ALA 86 HB3 ALA 86 5.131 -4.056 12.578 655 H LYS 87 H LYS 87 4.945 -0.430 10.248 656 HA LYS 87 HA LYS 87 6.520 1.611 11.426 657 HB2 LYS 87 HB3 LYS 87 3.664 1.705 10.408 658 HB3 LYS 87 HB2 LYS 87 4.629 3.130 10.797 659 HG2 LYS 87 HG3 LYS 87 6.339 2.377 9.143 660 HG3 LYS 87 HG2 LYS 87 5.279 1.035 8.705 661 HD2 LYS 87 HD3 LYS 87 3.500 2.688 8.115 662 HD3 LYS 87 HD2 LYS 87 4.643 3.990 8.442 663 HE2 LYS 87 HE3 LYS 87 4.426 3.263 5.993 664 HE3 LYS 87 HE2 LYS 87 6.064 3.330 6.646 665 HZ1 LYS 87 HZ1 LYS 87 5.563 1.275 5.386 666 HZ2 LYS 87 HZ2 LYS 87 4.419 0.865 6.569 667 HZ3 LYS 87 HZ3 LYS 87 6.061 0.991 6.986 668 H LEU 88 H LEU 88 3.569 0.024 12.567 669 HA LEU 88 HA LEU 88 3.544 1.771 14.967 670 HB2 LEU 88 HB3 LEU 88 1.628 -0.380 14.016 671 HB3 LEU 88 HB2 LEU 88 1.431 0.529 15.512 672 HG LEU 88 HG LEU 88 0.087 1.510 13.686 673 HD11 LEU 88 HD11 LEU 88 2.304 3.475 14.063 674 HD12 LEU 88 HD12 LEU 88 1.506 2.850 15.507 675 HD13 LEU 88 HD13 LEU 88 0.566 3.688 14.272 676 HD21 LEU 88 HD21 LEU 88 2.607 2.378 12.310 677 HD22 LEU 88 HD22 LEU 88 0.980 2.205 11.654 678 HD23 LEU 88 HD23 LEU 88 1.958 0.773 11.967 679 H GLN 89 H GLN 89 4.033 0.991 17.020 680 HA GLN 89 HA GLN 89 5.847 -1.154 17.302 681 HB2 GLN 89 HB3 GLN 89 3.972 0.050 19.362 682 HB3 GLN 89 HB2 GLN 89 5.331 -1.011 19.741 683 HG2 GLN 89 HG3 GLN 89 6.891 0.588 18.724 684 HG3 GLN 89 HG2 GLN 89 5.546 1.643 18.289 685 HE21 GLN 89 HE22 GLN 89 7.629 2.577 20.007 686 HE22 GLN 89 HE21 GLN 89 6.985 2.808 21.560 Start of MODEL 8 1 H1 SER -1 H1 SER -1 6.037 -4.219 -7.117 2 H2 SER -1 H2 SER -1 7.610 -4.384 -7.738 3 H3 SER -1 H3 SER -1 7.377 -3.877 -6.133 4 HA SER -1 HA SER -1 6.112 -6.153 -5.953 5 HB2 SER -1 HB3 SER -1 7.060 -6.272 -8.555 6 HB3 SER -1 HB2 SER -1 8.261 -7.195 -7.654 7 HG SER -1 HG SER -1 6.691 -8.638 -8.083 8 H GLU 0 H GLU 0 8.461 -4.148 -5.254 9 HA GLU 0 HA GLU 0 10.701 -5.731 -4.470 10 HB2 GLU 0 HB3 GLU 0 9.601 -3.175 -3.263 11 HB3 GLU 0 HB2 GLU 0 11.185 -3.856 -2.894 12 HG2 GLU 0 HG3 GLU 0 11.782 -3.714 -5.303 13 HG3 GLU 0 HG2 GLU 0 10.221 -2.957 -5.625 14 H MET 1 H MET 1 7.615 -5.056 -2.876 15 HA MET 1 HA MET 1 8.472 -6.568 -0.480 16 HB2 MET 1 HB3 MET 1 5.806 -5.246 -1.081 17 HB3 MET 1 HB2 MET 1 6.409 -5.763 0.498 18 HG2 MET 1 HG3 MET 1 7.658 -3.618 -1.243 19 HG3 MET 1 HG2 MET 1 6.686 -3.328 0.195 20 HE1 MET 1 HE1 MET 1 7.947 -5.856 2.245 21 HE2 MET 1 HE2 MET 1 7.002 -4.361 2.278 22 HE3 MET 1 HE3 MET 1 8.547 -4.449 3.120 23 H GLN 2 H GLN 2 5.257 -6.921 -0.722 24 HA GLN 2 HA GLN 2 5.471 -9.598 -2.047 25 HB2 GLN 2 HB3 GLN 2 4.928 -9.609 0.419 26 HB3 GLN 2 HB2 GLN 2 3.452 -8.719 0.042 27 HG2 GLN 2 HG3 GLN 2 2.836 -11.033 0.132 28 HG3 GLN 2 HG2 GLN 2 2.878 -10.596 -1.577 29 HE21 GLN 2 HE22 GLN 2 3.639 -12.479 -2.598 30 HE22 GLN 2 HE21 GLN 2 5.060 -13.297 -2.159 31 H HIS 3 H HIS 3 4.542 -9.471 -4.059 32 HA HIS 3 HA HIS 3 3.141 -8.672 -5.783 33 HB2 HIS 3 HB3 HIS 3 1.091 -8.648 -3.543 34 HB3 HIS 3 HB2 HIS 3 0.769 -8.796 -5.271 35 HD1 HIS 3 HD1 HIS 3 2.509 -10.939 -6.263 36 HD2 HIS 3 HD2 HIS 3 0.840 -11.164 -2.446 37 HE1 HIS 3 HE1 HIS 3 2.534 -13.389 -5.612 38 HE2 HIS 3 HE2 HIS 3 1.522 -13.536 -3.290 39 H ALA 4 H ALA 4 4.607 -6.718 -4.118 40 HA ALA 4 HA ALA 4 3.052 -4.462 -3.413 41 HB1 ALA 4 HB1 ALA 4 5.751 -5.083 -3.458 42 HB2 ALA 4 HB2 ALA 4 5.067 -3.528 -2.985 43 HB3 ALA 4 HB3 ALA 4 5.622 -3.780 -4.640 44 H SER 5 H SER 5 4.386 -5.455 -6.550 45 HA SER 5 HA SER 5 3.782 -3.063 -7.978 46 HB2 SER 5 HB3 SER 5 3.986 -4.410 -9.985 47 HB3 SER 5 HB2 SER 5 5.199 -4.955 -8.831 48 HG SER 5 HG SER 5 2.646 -6.114 -9.299 49 H VAL 6 H VAL 6 1.791 -5.830 -7.075 50 HA VAL 6 HA VAL 6 -0.435 -5.261 -8.772 51 HB VAL 6 HB VAL 6 -0.312 -6.580 -6.057 52 HG11 VAL 6 HG11 VAL 6 -2.568 -5.812 -7.753 53 HG12 VAL 6 HG12 VAL 6 -2.564 -6.378 -6.081 54 HG13 VAL 6 HG13 VAL 6 -2.538 -7.541 -7.407 55 HG21 VAL 6 HG21 VAL 6 -0.488 -8.657 -7.396 56 HG22 VAL 6 HG22 VAL 6 0.948 -7.731 -7.837 57 HG23 VAL 6 HG23 VAL 6 -0.478 -7.695 -8.874 58 H ILE 7 H ILE 7 0.353 -4.214 -5.475 59 HA ILE 7 HA ILE 7 -2.016 -2.710 -4.986 60 HB ILE 7 HB ILE 7 0.806 -2.148 -4.023 61 HG12 ILE 7 HG13 ILE 7 -1.392 -3.706 -2.637 62 HG13 ILE 7 HG12 ILE 7 -0.122 -4.477 -3.588 63 HG21 ILE 7 HG21 ILE 7 -0.579 -0.245 -3.578 64 HG22 ILE 7 HG22 ILE 7 -0.491 -1.155 -2.069 65 HG23 ILE 7 HG23 ILE 7 -1.930 -1.264 -3.082 66 HD11 ILE 7 HD11 ILE 7 0.187 -2.827 -1.075 67 HD12 ILE 7 HD12 ILE 7 1.547 -3.197 -2.135 68 HD13 ILE 7 HD13 ILE 7 0.668 -4.503 -1.338 69 H ALA 8 H ALA 8 1.058 -1.839 -6.526 70 HA ALA 8 HA ALA 8 0.527 0.935 -6.867 71 HB1 ALA 8 HB1 ALA 8 2.418 0.959 -8.200 72 HB2 ALA 8 HB2 ALA 8 2.011 -0.566 -8.985 73 HB3 ALA 8 HB3 ALA 8 2.672 -0.565 -7.350 74 H GLN 9 H GLN 9 -0.346 -1.880 -8.850 75 HA GLN 9 HA GLN 9 -1.378 -0.403 -11.076 76 HB2 GLN 9 HB3 GLN 9 -2.118 -3.146 -10.021 77 HB3 GLN 9 HB2 GLN 9 -2.641 -2.502 -11.578 78 HG2 GLN 9 HG3 GLN 9 -0.259 -2.219 -12.231 79 HG3 GLN 9 HG2 GLN 9 0.227 -2.950 -10.703 80 HE21 GLN 9 HE22 GLN 9 0.005 -5.246 -10.471 81 HE22 GLN 9 HE21 GLN 9 -0.462 -6.255 -11.755 82 H PHE 10 H PHE 10 -2.915 -1.567 -8.085 83 HA PHE 10 HA PHE 10 -5.579 -0.826 -8.807 84 HB2 PHE 10 HB3 PHE 10 -4.177 -1.270 -6.190 85 HB3 PHE 10 HB2 PHE 10 -5.821 -0.636 -6.207 86 HD1 PHE 10 HD1 PHE 10 -7.613 -1.940 -7.478 87 HD2 PHE 10 HD2 PHE 10 -3.763 -3.580 -6.509 88 HE1 PHE 10 HE1 PHE 10 -8.507 -4.229 -7.804 89 HE2 PHE 10 HE2 PHE 10 -4.659 -5.870 -6.838 90 HZ PHE 10 HZ PHE 10 -7.029 -6.195 -7.481 91 H VAL 11 H VAL 11 -3.176 0.993 -6.872 92 HA VAL 11 HA VAL 11 -4.863 3.288 -6.573 93 HB VAL 11 HB VAL 11 -2.753 4.468 -5.982 94 HG11 VAL 11 HG11 VAL 11 -3.052 3.520 -3.965 95 HG12 VAL 11 HG12 VAL 11 -2.158 2.096 -4.498 96 HG13 VAL 11 HG13 VAL 11 -3.904 2.178 -4.729 97 HG21 VAL 11 HG21 VAL 11 -0.665 3.044 -5.955 98 HG22 VAL 11 HG22 VAL 11 -1.225 3.479 -7.569 99 HG23 VAL 11 HG23 VAL 11 -1.539 1.866 -6.932 100 H VAL 12 H VAL 12 -2.379 2.434 -8.974 101 HA VAL 12 HA VAL 12 -2.463 4.919 -10.389 102 HB VAL 12 HB VAL 12 -1.752 2.126 -11.293 103 HG11 VAL 12 HG11 VAL 12 -0.632 3.330 -13.207 104 HG12 VAL 12 HG12 VAL 12 -1.494 4.787 -12.714 105 HG13 VAL 12 HG13 VAL 12 -2.393 3.373 -13.264 106 HG21 VAL 12 HG21 VAL 12 0.273 2.561 -10.395 107 HG22 VAL 12 HG22 VAL 12 -0.439 3.993 -9.653 108 HG23 VAL 12 HG23 VAL 12 0.357 4.116 -11.221 109 H GLU 13 H GLU 13 -4.225 1.843 -10.920 110 HA GLU 13 HA GLU 13 -5.732 2.870 -13.156 111 HB2 GLU 13 HB3 GLU 13 -6.187 0.526 -11.309 112 HB3 GLU 13 HB2 GLU 13 -7.173 0.858 -12.725 113 HG2 GLU 13 HG3 GLU 13 -5.142 0.776 -14.141 114 HG3 GLU 13 HG2 GLU 13 -4.194 0.364 -12.717 115 H GLU 14 H GLU 14 -6.166 2.952 -9.695 116 HA GLU 14 HA GLU 14 -8.968 3.491 -9.647 117 HB2 GLU 14 HB3 GLU 14 -7.593 2.854 -7.658 118 HB3 GLU 14 HB2 GLU 14 -6.884 4.469 -7.680 119 HG2 GLU 14 HG3 GLU 14 -9.163 5.443 -7.457 120 HG3 GLU 14 HG2 GLU 14 -9.826 3.812 -7.346 121 H PHE 15 H PHE 15 -6.190 5.644 -10.132 122 HA PHE 15 HA PHE 15 -8.163 7.813 -10.719 123 HB2 PHE 15 HB3 PHE 15 -5.606 8.079 -9.122 124 HB3 PHE 15 HB2 PHE 15 -6.567 9.441 -9.693 125 HD1 PHE 15 HD2 PHE 15 -9.010 9.598 -8.970 126 HD2 PHE 15 HD1 PHE 15 -6.194 6.919 -7.143 127 HE1 PHE 15 HE2 PHE 15 -10.498 9.379 -6.998 128 HE2 PHE 15 HE1 PHE 15 -7.681 6.702 -5.169 129 HZ PHE 15 HZ PHE 15 -9.834 7.931 -5.098 130 H LEU 16 H LEU 16 -5.004 6.384 -11.399 131 HA LEU 16 HA LEU 16 -4.867 8.135 -13.825 132 HB2 LEU 16 HB3 LEU 16 -2.800 7.347 -11.824 133 HB3 LEU 16 HB2 LEU 16 -2.299 7.510 -13.504 134 HG LEU 16 HG LEU 16 -3.867 9.640 -12.032 135 HD11 LEU 16 HD11 LEU 16 -1.660 9.257 -10.956 136 HD12 LEU 16 HD12 LEU 16 -1.741 10.826 -11.756 137 HD13 LEU 16 HD13 LEU 16 -0.876 9.492 -12.518 138 HD21 LEU 16 HD21 LEU 16 -3.092 9.228 -14.766 139 HD22 LEU 16 HD22 LEU 16 -2.210 10.620 -14.139 140 HD23 LEU 16 HD23 LEU 16 -3.973 10.589 -14.073 141 HA PRO 17 HA PRO 17 -4.911 3.707 -15.165 142 HB2 PRO 17 HB2 PRO 17 -6.857 3.964 -17.055 143 HB3 PRO 17 HB3 PRO 17 -7.206 3.665 -15.343 144 HG2 PRO 17 HG3 PRO 17 -7.430 6.165 -16.907 145 HG3 PRO 17 HG2 PRO 17 -8.393 5.595 -15.538 146 HD2 PRO 17 HD3 PRO 17 -6.352 7.505 -15.401 147 HD3 PRO 17 HD2 PRO 17 -7.027 6.617 -14.020 148 H ASP 18 H ASP 18 -4.505 6.741 -16.794 149 HA ASP 18 HA ASP 18 -3.551 5.463 -19.278 150 HB2 ASP 18 HB3 ASP 18 -3.871 8.346 -18.443 151 HB3 ASP 18 HB2 ASP 18 -3.239 7.847 -20.006 152 H VAL 19 H VAL 19 -2.208 5.807 -16.359 153 HA VAL 19 HA VAL 19 0.461 6.631 -17.438 154 HB VAL 19 HB VAL 19 -0.492 6.598 -14.560 155 HG11 VAL 19 HG11 VAL 19 1.888 6.311 -14.638 156 HG12 VAL 19 HG12 VAL 19 1.606 8.015 -14.286 157 HG13 VAL 19 HG13 VAL 19 2.056 7.513 -15.916 158 HG21 VAL 19 HG21 VAL 19 -0.754 8.959 -14.735 159 HG22 VAL 19 HG22 VAL 19 -1.538 8.309 -16.175 160 HG23 VAL 19 HG23 VAL 19 0.074 9.013 -16.292 161 H ALA 20 H ALA 20 2.119 5.158 -17.342 162 HA ALA 20 HA ALA 20 1.497 2.395 -16.788 163 HB1 ALA 20 HB1 ALA 20 3.174 3.190 -18.479 164 HB2 ALA 20 HB2 ALA 20 3.796 1.955 -17.384 165 HB3 ALA 20 HB3 ALA 20 4.227 3.648 -17.141 166 HA PRO 21 HA PRO 21 2.121 2.836 -12.288 167 HB2 PRO 21 HB2 PRO 21 2.423 -0.118 -12.483 168 HB3 PRO 21 HB3 PRO 21 1.372 0.840 -11.426 169 HG2 PRO 21 HG3 PRO 21 0.445 -0.506 -13.553 170 HG3 PRO 21 HG2 PRO 21 -0.273 1.011 -12.991 171 HD2 PRO 21 HD3 PRO 21 1.382 0.501 -15.401 172 HD3 PRO 21 HD2 PRO 21 0.178 1.772 -15.097 173 H ALA 22 H ALA 22 4.197 1.107 -14.526 174 HA ALA 22 HA ALA 22 6.343 0.512 -12.727 175 HB1 ALA 22 HB1 ALA 22 5.847 -0.096 -15.315 176 HB2 ALA 22 HB2 ALA 22 7.450 -0.224 -14.592 177 HB3 ALA 22 HB3 ALA 22 7.020 1.202 -15.536 178 H ASP 23 H ASP 23 5.302 3.473 -14.199 179 HA ASP 23 HA ASP 23 7.896 4.802 -13.845 180 HB2 ASP 23 HB3 ASP 23 6.752 6.797 -14.665 181 HB3 ASP 23 HB2 ASP 23 6.353 5.425 -15.697 182 H VAL 24 H VAL 24 5.800 3.749 -11.623 183 HA VAL 24 HA VAL 24 5.870 6.244 -9.978 184 HB VAL 24 HB VAL 24 4.413 3.674 -9.335 185 HG11 VAL 24 HG11 VAL 24 4.894 6.041 -7.904 186 HG12 VAL 24 HG12 VAL 24 3.722 4.785 -7.504 187 HG13 VAL 24 HG13 VAL 24 3.229 6.178 -8.468 188 HG21 VAL 24 HG21 VAL 24 3.438 6.098 -10.888 189 HG22 VAL 24 HG22 VAL 24 2.393 4.814 -10.279 190 HG23 VAL 24 HG23 VAL 24 3.603 4.455 -11.509 191 H ASP 25 H ASP 25 7.285 6.341 -8.283 192 HA ASP 25 HA ASP 25 8.925 3.950 -7.715 193 HB2 ASP 25 HB3 ASP 25 9.957 6.228 -7.988 194 HB3 ASP 25 HB2 ASP 25 9.120 6.731 -6.518 195 H VAL 26 H VAL 26 8.288 2.579 -6.121 196 HA VAL 26 HA VAL 26 6.184 3.292 -4.247 197 HB VAL 26 HB VAL 26 6.521 1.044 -3.366 198 HG11 VAL 26 HG11 VAL 26 5.552 1.547 -5.765 199 HG12 VAL 26 HG12 VAL 26 5.849 -0.119 -5.269 200 HG13 VAL 26 HG13 VAL 26 7.008 0.712 -6.306 201 HG21 VAL 26 HG21 VAL 26 8.915 0.906 -3.260 202 HG22 VAL 26 HG22 VAL 26 9.067 1.170 -4.997 203 HG23 VAL 26 HG23 VAL 26 8.395 -0.343 -4.389 204 H ASP 27 H ASP 27 9.299 4.270 -4.334 205 HA ASP 27 HA ASP 27 9.911 3.895 -1.474 206 HB2 ASP 27 HB3 ASP 27 11.368 5.316 -3.720 207 HB3 ASP 27 HB2 ASP 27 11.964 5.215 -2.066 208 H LEU 28 H LEU 28 8.193 6.062 -3.420 209 HA LEU 28 HA LEU 28 8.648 8.362 -1.603 210 HB2 LEU 28 HB3 LEU 28 8.587 8.740 -4.065 211 HB3 LEU 28 HB2 LEU 28 6.923 8.163 -4.091 212 HG LEU 28 HG LEU 28 6.348 9.965 -2.429 213 HD11 LEU 28 HD11 LEU 28 8.154 11.892 -2.573 214 HD12 LEU 28 HD12 LEU 28 9.259 10.550 -2.862 215 HD13 LEU 28 HD13 LEU 28 8.317 10.612 -1.373 216 HD21 LEU 28 HD21 LEU 28 5.676 10.662 -4.513 217 HD22 LEU 28 HD22 LEU 28 7.271 10.411 -5.225 218 HD23 LEU 28 HD23 LEU 28 6.952 11.853 -4.259 219 H ASP 29 H ASP 29 7.071 9.052 -0.160 220 HA ASP 29 HA ASP 29 5.124 7.194 0.731 221 HB2 ASP 29 HB3 ASP 29 5.261 10.206 1.095 222 HB3 ASP 29 HB2 ASP 29 4.147 9.157 1.971 223 H LEU 30 H LEU 30 3.088 6.785 0.102 224 HA LEU 30 HA LEU 30 2.121 7.711 -2.425 225 HB2 LEU 30 HB3 LEU 30 1.604 5.545 -0.972 226 HB3 LEU 30 HB2 LEU 30 0.271 6.539 -0.391 227 HG LEU 30 HG LEU 30 0.876 5.979 -3.306 228 HD11 LEU 30 HD11 LEU 30 -0.423 4.397 -1.316 229 HD12 LEU 30 HD12 LEU 30 -0.288 4.075 -3.045 230 HD13 LEU 30 HD13 LEU 30 -1.659 4.995 -2.424 231 HD21 LEU 30 HD21 LEU 30 -1.640 6.867 -3.297 232 HD22 LEU 30 HD22 LEU 30 -0.277 7.983 -3.375 233 HD23 LEU 30 HD23 LEU 30 -1.088 7.688 -1.837 234 H VAL 31 H VAL 31 1.334 8.600 0.921 235 HA VAL 31 HA VAL 31 -0.927 10.227 0.304 236 HB VAL 31 HB VAL 31 1.044 10.386 2.593 237 HG11 VAL 31 HG11 VAL 31 -1.194 12.113 1.772 238 HG12 VAL 31 HG12 VAL 31 0.105 12.429 2.923 239 HG13 VAL 31 HG13 VAL 31 -1.322 11.524 3.432 240 HG21 VAL 31 HG21 VAL 31 -1.076 8.603 1.908 241 HG22 VAL 31 HG22 VAL 31 -1.625 9.581 3.271 242 HG23 VAL 31 HG23 VAL 31 -0.137 8.642 3.401 243 H ASP 32 H ASP 32 2.538 10.960 0.323 244 HA ASP 32 HA ASP 32 2.420 13.769 0.186 245 HB2 ASP 32 HB3 ASP 32 4.522 12.345 0.225 246 HB3 ASP 32 HB2 ASP 32 4.265 12.044 -1.493 247 H ASN 33 H ASN 33 1.739 11.333 -2.242 248 HA ASN 33 HA ASN 33 1.510 13.150 -4.474 249 HB2 ASN 33 HB3 ASN 33 0.428 10.380 -3.970 250 HB3 ASN 33 HB2 ASN 33 0.265 11.219 -5.507 251 HD21 ASN 33 HD22 ASN 33 1.753 8.782 -5.324 252 HD22 ASN 33 HD21 ASN 33 3.393 9.130 -5.586 253 H GLY 34 H GLY 34 -0.737 11.918 -2.045 254 HA2 GLY 34 HA3 GLY 34 -2.780 12.947 -1.372 255 HA3 GLY 34 HA2 GLY 34 -2.642 14.053 -2.741 256 H VAL 35 H VAL 35 -2.047 10.935 -3.777 257 HA VAL 35 HA VAL 35 -4.380 10.796 -5.411 258 HB VAL 35 HB VAL 35 -2.464 8.624 -4.511 259 HG11 VAL 35 HG11 VAL 35 -3.414 7.567 -6.711 260 HG12 VAL 35 HG12 VAL 35 -4.798 8.618 -6.408 261 HG13 VAL 35 HG13 VAL 35 -4.334 7.403 -5.215 262 HG21 VAL 35 HG21 VAL 35 -1.165 9.200 -6.309 263 HG22 VAL 35 HG22 VAL 35 -1.936 10.771 -6.085 264 HG23 VAL 35 HG23 VAL 35 -2.555 9.648 -7.298 265 H ILE 36 H ILE 36 -3.647 9.531 -2.201 266 HA ILE 36 HA ILE 36 -6.145 8.007 -2.060 267 HB ILE 36 HB ILE 36 -4.134 8.739 0.090 268 HG12 ILE 36 HG13 ILE 36 -4.538 6.125 -1.390 269 HG13 ILE 36 HG12 ILE 36 -3.324 7.316 -1.830 270 HG21 ILE 36 HG21 ILE 36 -6.735 7.413 0.140 271 HG22 ILE 36 HG22 ILE 36 -5.741 7.977 1.484 272 HG23 ILE 36 HG23 ILE 36 -5.448 6.388 0.774 273 HD11 ILE 36 HD11 ILE 36 -2.742 7.108 0.784 274 HD12 ILE 36 HD12 ILE 36 -2.034 6.030 -0.420 275 HD13 ILE 36 HD13 ILE 36 -3.424 5.504 0.528 276 H ASP 37 H ASP 37 -8.026 9.071 -1.819 277 HA ASP 37 HA ASP 37 -8.074 11.573 -0.202 278 HB2 ASP 37 HB3 ASP 37 -9.879 10.572 -2.421 279 HB3 ASP 37 HB2 ASP 37 -10.219 11.999 -1.449 280 H ALA 38 H ALA 38 -10.758 11.692 0.380 281 HA ALA 38 HA ALA 38 -11.014 9.843 2.557 282 HB1 ALA 38 HB1 ALA 38 -12.755 11.169 3.150 283 HB2 ALA 38 HB2 ALA 38 -13.551 10.947 1.592 284 HB3 ALA 38 HB3 ALA 38 -12.301 12.178 1.776 285 H LEU 39 H LEU 39 -12.802 10.066 -0.525 286 HA LEU 39 HA LEU 39 -14.071 7.488 -0.180 287 HB2 LEU 39 HB3 LEU 39 -13.601 9.034 -2.742 288 HB3 LEU 39 HB2 LEU 39 -14.788 7.760 -2.492 289 HG LEU 39 HG LEU 39 -14.740 10.479 -1.178 290 HD11 LEU 39 HD11 LEU 39 -16.624 10.976 -2.468 291 HD12 LEU 39 HD12 LEU 39 -17.008 9.276 -2.736 292 HD13 LEU 39 HD13 LEU 39 -15.658 10.021 -3.592 293 HD21 LEU 39 HD21 LEU 39 -17.018 9.541 -0.278 294 HD22 LEU 39 HD22 LEU 39 -15.523 9.098 0.547 295 HD23 LEU 39 HD23 LEU 39 -16.279 7.967 -0.574 296 H GLY 40 H GLY 40 -11.145 8.731 -1.623 297 HA2 GLY 40 HA3 GLY 40 -10.342 6.439 -3.090 298 HA3 GLY 40 HA2 GLY 40 -9.239 7.640 -2.406 299 H LEU 41 H LEU 41 -9.930 7.343 0.312 300 HA LEU 41 HA LEU 41 -8.309 5.100 1.052 301 HB2 LEU 41 HB3 LEU 41 -8.631 7.192 2.409 302 HB3 LEU 41 HB2 LEU 41 -10.266 6.645 2.774 303 HG LEU 41 HG LEU 41 -8.128 4.658 3.277 304 HD11 LEU 41 HD11 LEU 41 -7.015 6.716 4.026 305 HD12 LEU 41 HD12 LEU 41 -7.497 5.745 5.417 306 HD13 LEU 41 HD13 LEU 41 -8.443 7.162 4.960 307 HD21 LEU 41 HD21 LEU 41 -10.480 4.246 3.858 308 HD22 LEU 41 HD22 LEU 41 -10.509 5.708 4.841 309 HD23 LEU 41 HD23 LEU 41 -9.510 4.339 5.326 310 H LEU 42 H LEU 42 -11.818 5.666 1.074 311 HA LEU 42 HA LEU 42 -12.578 3.193 2.270 312 HB2 LEU 42 HB3 LEU 42 -14.140 5.079 1.922 313 HB3 LEU 42 HB2 LEU 42 -14.037 4.840 0.178 314 HG LEU 42 HG LEU 42 -14.708 2.330 0.965 315 HD11 LEU 42 HD11 LEU 42 -14.876 3.327 3.348 316 HD12 LEU 42 HD12 LEU 42 -16.215 2.331 2.779 317 HD13 LEU 42 HD13 LEU 42 -16.357 4.089 2.771 318 HD21 LEU 42 HD21 LEU 42 -17.133 3.173 0.511 319 HD22 LEU 42 HD22 LEU 42 -15.926 3.332 -0.767 320 HD23 LEU 42 HD23 LEU 42 -16.359 4.731 0.219 321 H LYS 43 H LYS 43 -12.164 4.087 -1.141 322 HA LYS 43 HA LYS 43 -12.861 1.567 -2.242 323 HB2 LYS 43 HB3 LYS 43 -10.967 3.690 -3.259 324 HB3 LYS 43 HB2 LYS 43 -11.518 2.321 -4.215 325 HG2 LYS 43 HG3 LYS 43 -13.875 3.054 -3.829 326 HG3 LYS 43 HG2 LYS 43 -13.258 4.482 -2.998 327 HD2 LYS 43 HD3 LYS 43 -11.997 5.092 -5.066 328 HD3 LYS 43 HD2 LYS 43 -12.745 3.722 -5.889 329 HE2 LYS 43 HE3 LYS 43 -13.901 5.960 -6.244 330 HE3 LYS 43 HE2 LYS 43 -14.937 4.663 -5.650 331 HZ1 LYS 43 HZ1 LYS 43 -15.259 6.740 -4.428 332 HZ2 LYS 43 HZ2 LYS 43 -13.631 6.718 -3.951 333 HZ3 LYS 43 HZ3 LYS 43 -14.688 5.500 -3.417 334 H VAL 44 H VAL 44 -9.820 2.793 -0.946 335 HA VAL 44 HA VAL 44 -8.110 0.712 -1.856 336 HB VAL 44 HB VAL 44 -7.997 2.448 0.618 337 HG11 VAL 44 HG11 VAL 44 -6.564 0.757 1.275 338 HG12 VAL 44 HG12 VAL 44 -5.452 1.707 0.290 339 HG13 VAL 44 HG13 VAL 44 -6.215 0.266 -0.382 340 HG21 VAL 44 HG21 VAL 44 -7.697 3.132 -2.013 341 HG22 VAL 44 HG22 VAL 44 -6.040 2.709 -1.585 342 HG23 VAL 44 HG23 VAL 44 -6.892 3.963 -0.682 343 H ILE 45 H ILE 45 -9.898 1.043 1.202 344 HA ILE 45 HA ILE 45 -9.089 -1.508 2.238 345 HB ILE 45 HB ILE 45 -11.174 0.526 2.914 346 HG12 ILE 45 HG13 ILE 45 -10.037 0.253 5.160 347 HG13 ILE 45 HG12 ILE 45 -8.911 -0.860 4.388 348 HG21 ILE 45 HG21 ILE 45 -12.514 -1.388 3.217 349 HG22 ILE 45 HG22 ILE 45 -11.830 -1.094 4.814 350 HG23 ILE 45 HG23 ILE 45 -11.157 -2.359 3.785 351 HD11 ILE 45 HD11 ILE 45 -7.709 0.857 3.566 352 HD12 ILE 45 HD12 ILE 45 -8.743 1.959 4.474 353 HD13 ILE 45 HD13 ILE 45 -9.143 1.547 2.809 354 H ALA 46 H ALA 46 -11.801 -0.503 0.202 355 HA ALA 46 HA ALA 46 -13.362 -2.881 0.541 356 HB1 ALA 46 HB1 ALA 46 -14.332 -2.154 -1.724 357 HB2 ALA 46 HB2 ALA 46 -13.226 -0.784 -1.618 358 HB3 ALA 46 HB3 ALA 46 -14.469 -1.012 -0.387 359 H TRP 47 H TRP 47 -11.070 -2.009 -2.097 360 HA TRP 47 HA TRP 47 -11.367 -4.687 -3.251 361 HB2 TRP 47 HB3 TRP 47 -10.602 -3.617 -5.072 362 HB3 TRP 47 HB2 TRP 47 -10.299 -2.173 -4.105 363 HD1 TRP 47 HD1 TRP 47 -8.566 -5.559 -4.857 364 HE1 TRP 47 HE1 TRP 47 -6.016 -5.168 -4.827 365 HE3 TRP 47 HE3 TRP 47 -8.457 -0.633 -3.597 366 HZ2 TRP 47 HZ2 TRP 47 -4.175 -3.034 -4.328 367 HZ3 TRP 47 HZ3 TRP 47 -6.300 0.568 -3.347 368 HH2 TRP 47 HH2 TRP 47 -4.158 -0.628 -3.715 369 H LEU 48 H LEU 48 -8.840 -2.945 -1.457 370 HA LEU 48 HA LEU 48 -6.870 -4.970 -1.558 371 HB2 LEU 48 HB3 LEU 48 -6.527 -2.639 -0.701 372 HB3 LEU 48 HB2 LEU 48 -7.417 -3.083 0.752 373 HG LEU 48 HG LEU 48 -5.739 -4.972 1.045 374 HD11 LEU 48 HD11 LEU 48 -4.244 -5.328 -0.598 375 HD12 LEU 48 HD12 LEU 48 -3.562 -3.731 -0.291 376 HD13 LEU 48 HD13 LEU 48 -4.848 -3.926 -1.481 377 HD21 LEU 48 HD21 LEU 48 -5.052 -3.479 2.587 378 HD22 LEU 48 HD22 LEU 48 -5.494 -2.127 1.544 379 HD23 LEU 48 HD23 LEU 48 -3.903 -2.874 1.391 380 H GLU 49 H GLU 49 -9.555 -4.516 0.753 381 HA GLU 49 HA GLU 49 -8.777 -6.774 2.383 382 HB2 GLU 49 HB3 GLU 49 -10.741 -6.336 3.600 383 HB3 GLU 49 HB2 GLU 49 -10.268 -4.755 3.006 384 HG2 GLU 49 HG3 GLU 49 -11.797 -5.149 1.041 385 HG3 GLU 49 HG2 GLU 49 -12.376 -6.577 1.874 386 H ASP 50 H ASP 50 -11.017 -6.290 -0.320 387 HA ASP 50 HA ASP 50 -12.332 -8.794 -0.233 388 HB2 ASP 50 HB3 ASP 50 -12.907 -6.847 -1.717 389 HB3 ASP 50 HB2 ASP 50 -11.535 -7.297 -2.729 390 H ARG 51 H ARG 51 -9.226 -7.916 -1.703 391 HA ARG 51 HA ARG 51 -8.779 -10.363 -3.071 392 HB2 ARG 51 HB3 ARG 51 -6.843 -8.357 -1.925 393 HB3 ARG 51 HB2 ARG 51 -6.368 -9.696 -2.962 394 HG2 ARG 51 HG3 ARG 51 -7.916 -8.870 -4.716 395 HG3 ARG 51 HG2 ARG 51 -8.328 -7.501 -3.683 396 HD2 ARG 51 HD3 ARG 51 -6.646 -6.762 -5.249 397 HD3 ARG 51 HD2 ARG 51 -5.886 -6.878 -3.664 398 HE ARG 51 HE ARG 51 -5.402 -8.686 -5.960 399 HH11 ARG 51 HH22 ARG 51 -4.956 -7.881 -2.627 400 HH12 ARG 51 HH21 ARG 51 -3.538 -8.858 -2.451 401 HH21 ARG 51 HH11 ARG 51 -3.559 -9.963 -5.734 402 HH22 ARG 51 HH12 ARG 51 -2.749 -10.036 -4.205 403 H PHE 52 H PHE 52 -8.078 -9.467 0.311 404 HA PHE 52 HA PHE 52 -6.833 -12.125 0.696 405 HB2 PHE 52 HB3 PHE 52 -7.075 -9.686 2.470 406 HB3 PHE 52 HB2 PHE 52 -6.392 -11.215 3.017 407 HD1 PHE 52 HD1 PHE 52 -4.277 -12.057 2.123 408 HD2 PHE 52 HD2 PHE 52 -5.937 -8.329 0.782 409 HE1 PHE 52 HE1 PHE 52 -2.114 -11.475 1.059 410 HE2 PHE 52 HE2 PHE 52 -3.773 -7.747 -0.281 411 HZ PHE 52 HZ PHE 52 -1.861 -9.321 -0.142 412 H GLY 53 H GLY 53 -9.901 -10.736 0.918 413 HA2 GLY 53 HA3 GLY 53 -11.911 -11.696 1.678 414 HA3 GLY 53 HA2 GLY 53 -10.989 -13.132 2.134 415 H ILE 54 H ILE 54 -10.138 -9.916 3.232 416 HA ILE 54 HA ILE 54 -10.830 -10.789 6.000 417 HB ILE 54 HB ILE 54 -9.090 -9.227 6.743 418 HG12 ILE 54 HG13 ILE 54 -8.787 -8.663 3.775 419 HG13 ILE 54 HG12 ILE 54 -9.377 -7.529 4.990 420 HG21 ILE 54 HG21 ILE 54 -8.454 -11.540 6.103 421 HG22 ILE 54 HG22 ILE 54 -7.149 -10.395 5.786 422 HG23 ILE 54 HG23 ILE 54 -8.148 -10.986 4.458 423 HD11 ILE 54 HD11 ILE 54 -6.600 -8.520 4.511 424 HD12 ILE 54 HD12 ILE 54 -7.071 -8.130 6.165 425 HD13 ILE 54 HD13 ILE 54 -7.157 -6.895 4.909 426 H ALA 55 H ALA 55 -11.787 -9.199 7.429 427 HA ALA 55 HA ALA 55 -13.372 -7.167 5.933 428 HB1 ALA 55 HB1 ALA 55 -14.291 -7.248 8.571 429 HB2 ALA 55 HB2 ALA 55 -13.894 -8.925 8.197 430 HB3 ALA 55 HB3 ALA 55 -15.035 -8.042 7.183 431 H ALA 56 H ALA 56 -13.107 -5.000 6.346 432 HA ALA 56 HA ALA 56 -10.757 -4.101 7.735 433 HB1 ALA 56 HB1 ALA 56 -12.499 -2.985 5.917 434 HB2 ALA 56 HB2 ALA 56 -11.241 -2.101 6.781 435 HB3 ALA 56 HB3 ALA 56 -12.894 -2.108 7.395 436 H ASP 57 H ASP 57 -14.091 -4.570 8.713 437 HA ASP 57 HA ASP 57 -14.188 -2.946 11.012 438 HB2 ASP 57 HB3 ASP 57 -15.422 -5.647 10.470 439 HB3 ASP 57 HB2 ASP 57 -15.833 -4.649 11.859 440 H ASP 58 H ASP 58 -12.734 -6.135 10.550 441 HA ASP 58 HA ASP 58 -12.259 -6.832 13.236 442 HB2 ASP 58 HB3 ASP 58 -11.784 -8.250 11.204 443 HB3 ASP 58 HB2 ASP 58 -10.322 -7.294 10.971 444 H VAL 59 H VAL 59 -10.397 -4.674 11.121 445 HA VAL 59 HA VAL 59 -9.003 -3.676 13.566 446 HB VAL 59 HB VAL 59 -7.497 -5.217 12.300 447 HG11 VAL 59 HG11 VAL 59 -7.035 -4.950 10.062 448 HG12 VAL 59 HG12 VAL 59 -7.255 -3.201 10.119 449 HG13 VAL 59 HG13 VAL 59 -8.660 -4.266 10.071 450 HG21 VAL 59 HG21 VAL 59 -6.788 -3.036 13.546 451 HG22 VAL 59 HG22 VAL 59 -6.512 -2.394 11.927 452 HG23 VAL 59 HG23 VAL 59 -5.617 -3.810 12.478 453 H GLU 60 H GLU 60 -8.675 -1.437 13.580 454 HA GLU 60 HA GLU 60 -10.099 0.050 11.447 455 HB2 GLU 60 HB3 GLU 60 -10.570 0.524 13.864 456 HB3 GLU 60 HB2 GLU 60 -8.911 1.084 14.036 457 HG2 GLU 60 HG3 GLU 60 -9.328 2.756 12.248 458 HG3 GLU 60 HG2 GLU 60 -11.010 2.240 12.198 459 H LEU 61 H LEU 61 -9.014 1.261 9.942 460 HA LEU 61 HA LEU 61 -6.059 1.292 10.109 461 HB2 LEU 61 HB3 LEU 61 -7.880 2.004 7.793 462 HB3 LEU 61 HB2 LEU 61 -6.137 1.782 7.729 463 HG LEU 61 HG LEU 61 -8.175 -0.335 8.419 464 HD11 LEU 61 HD11 LEU 61 -7.744 0.461 5.966 465 HD12 LEU 61 HD12 LEU 61 -7.741 -1.269 6.312 466 HD13 LEU 61 HD13 LEU 61 -6.216 -0.400 6.138 467 HD21 LEU 61 HD21 LEU 61 -5.188 -0.210 8.618 468 HD22 LEU 61 HD22 LEU 61 -5.938 -1.735 8.148 469 HD23 LEU 61 HD23 LEU 61 -6.347 -0.992 9.694 470 H SER 62 H SER 62 -4.909 3.218 10.175 471 HA SER 62 HA SER 62 -6.530 5.701 10.477 472 HB2 SER 62 HB3 SER 62 -5.362 5.886 12.407 473 HB3 SER 62 HB2 SER 62 -4.268 4.585 11.946 474 HG SER 62 HG SER 62 -3.038 6.046 10.816 475 HA PRO 63 HA PRO 63 -4.846 7.484 6.836 476 HB2 PRO 63 HB2 PRO 63 -3.856 9.906 7.904 477 HB3 PRO 63 HB3 PRO 63 -5.477 9.629 7.247 478 HG2 PRO 63 HG3 PRO 63 -4.565 9.706 10.056 479 HG3 PRO 63 HG2 PRO 63 -6.139 10.125 9.361 480 HD2 PRO 63 HD3 PRO 63 -5.744 7.836 10.768 481 HD3 PRO 63 HD2 PRO 63 -6.906 7.936 9.425 482 H GLU 64 H GLU 64 -2.832 7.298 9.696 483 HA GLU 64 HA GLU 64 -0.335 7.937 8.402 484 HB2 GLU 64 HB3 GLU 64 -0.906 6.383 10.929 485 HB3 GLU 64 HB2 GLU 64 0.673 6.977 10.445 486 HG2 GLU 64 HG3 GLU 64 -0.234 9.286 10.442 487 HG3 GLU 64 HG2 GLU 64 -1.767 8.653 11.032 488 H HIS 65 H HIS 65 -2.271 5.059 8.735 489 HA HIS 65 HA HIS 65 -0.215 3.154 8.150 490 HB2 HIS 65 HB3 HIS 65 -2.269 2.316 9.032 491 HB3 HIS 65 HB2 HIS 65 -3.213 3.109 7.768 492 HD1 HIS 65 HD1 HIS 65 -4.183 1.052 6.629 493 HD2 HIS 65 HD2 HIS 65 -0.034 0.864 7.014 494 HE1 HIS 65 HE1 HIS 65 -3.425 -0.947 5.267 495 HE2 HIS 65 HE2 HIS 65 -0.903 -1.067 5.494 496 H PHE 66 H PHE 66 -1.928 5.433 6.220 497 HA PHE 66 HA PHE 66 -1.220 4.056 3.709 498 HB2 PHE 66 HB3 PHE 66 -2.564 6.747 4.071 499 HB3 PHE 66 HB2 PHE 66 -2.527 5.764 2.609 500 HD1 PHE 66 HD2 PHE 66 -3.643 5.686 6.176 501 HD2 PHE 66 HD1 PHE 66 -4.215 4.171 2.201 502 HE1 PHE 66 HE2 PHE 66 -5.683 4.492 6.926 503 HE2 PHE 66 HE1 PHE 66 -6.254 2.976 2.951 504 HZ PHE 66 HZ PHE 66 -6.985 3.142 5.315 505 H ARG 67 H ARG 67 0.584 5.495 5.789 506 HA ARG 67 HA ARG 67 1.783 7.792 4.794 507 HB2 ARG 67 HB3 ARG 67 3.836 6.985 5.900 508 HB3 ARG 67 HB2 ARG 67 2.421 6.671 6.900 509 HG2 ARG 67 HG3 ARG 67 2.493 4.398 5.413 510 HG3 ARG 67 HG2 ARG 67 4.211 4.769 5.510 511 HD2 ARG 67 HD3 ARG 67 3.631 5.154 8.075 512 HD3 ARG 67 HD2 ARG 67 2.286 4.083 7.692 513 HE ARG 67 HE ARG 67 4.851 3.059 6.762 514 HH11 ARG 67 HH22 ARG 67 2.627 3.374 9.378 515 HH12 ARG 67 HH21 ARG 67 3.170 1.942 10.188 516 HH21 ARG 67 HH11 ARG 67 5.571 1.186 7.802 517 HH22 ARG 67 HH12 ARG 67 4.838 0.704 9.295 518 H SER 68 H SER 68 2.285 4.438 3.691 519 HA SER 68 HA SER 68 3.200 5.436 1.110 520 HB2 SER 68 HB3 SER 68 5.408 4.439 1.160 521 HB3 SER 68 HB2 SER 68 5.269 5.535 2.530 522 HG SER 68 HG SER 68 6.104 3.268 2.852 523 H ILE 69 H ILE 69 3.391 3.713 -0.460 524 HA ILE 69 HA ILE 69 1.457 1.662 -0.220 525 HB ILE 69 HB ILE 69 3.887 1.627 -2.027 526 HG12 ILE 69 HG13 ILE 69 1.809 2.716 -3.473 527 HG13 ILE 69 HG12 ILE 69 1.585 3.454 -1.890 528 HG21 ILE 69 HG21 ILE 69 2.212 0.528 -3.557 529 HG22 ILE 69 HG22 ILE 69 1.090 0.492 -2.198 530 HG23 ILE 69 HG23 ILE 69 2.602 -0.411 -2.117 531 HD11 ILE 69 HD11 ILE 69 3.078 4.940 -2.896 532 HD12 ILE 69 HD12 ILE 69 3.934 3.657 -3.749 533 HD13 ILE 69 HD13 ILE 69 4.172 3.875 -2.016 534 H ARG 70 H ARG 70 4.909 1.756 0.440 535 HA ARG 70 HA ARG 70 5.458 -1.002 0.723 536 HB2 ARG 70 HB3 ARG 70 6.535 1.289 2.396 537 HB3 ARG 70 HB2 ARG 70 7.298 -0.285 2.183 538 HG2 ARG 70 HG3 ARG 70 7.905 0.157 -0.019 539 HG3 ARG 70 HG2 ARG 70 6.628 1.356 -0.237 540 HD2 ARG 70 HD3 ARG 70 8.801 2.478 -0.071 541 HD3 ARG 70 HD2 ARG 70 7.810 2.880 1.330 542 HE ARG 70 HE ARG 70 9.345 0.618 2.041 543 HH11 ARG 70 HH22 ARG 70 9.769 3.894 1.052 544 HH12 ARG 70 HH21 ARG 70 11.244 4.108 1.935 545 HH21 ARG 70 HH11 ARG 70 11.267 0.881 3.200 546 HH22 ARG 70 HH12 ARG 70 12.092 2.403 3.151 547 H SER 71 H SER 71 4.201 1.322 3.114 548 HA SER 71 HA SER 71 4.070 -0.582 5.268 549 HB2 SER 71 HB3 SER 71 2.811 1.117 6.428 550 HB3 SER 71 HB2 SER 71 4.074 1.927 5.509 551 HG SER 71 HG SER 71 1.340 2.009 5.239 552 H ILE 72 H ILE 72 1.810 0.386 2.724 553 HA ILE 72 HA ILE 72 -0.524 -0.817 3.808 554 HB ILE 72 HB ILE 72 0.289 -0.456 0.911 555 HG12 ILE 72 HG13 ILE 72 -1.393 1.296 2.732 556 HG13 ILE 72 HG12 ILE 72 0.284 1.627 2.297 557 HG21 ILE 72 HG21 ILE 72 -1.634 -1.511 0.438 558 HG22 ILE 72 HG22 ILE 72 -2.502 -0.244 1.303 559 HG23 ILE 72 HG23 ILE 72 -1.987 -1.699 2.154 560 HD11 ILE 72 HD11 ILE 72 -0.935 1.160 -0.154 561 HD12 ILE 72 HD12 ILE 72 -0.545 2.744 0.517 562 HD13 ILE 72 HD13 ILE 72 -2.156 2.061 0.745 563 H ASP 73 H ASP 73 1.853 -2.130 1.475 564 HA ASP 73 HA ASP 73 0.675 -4.721 1.284 565 HB2 ASP 73 HB3 ASP 73 2.554 -3.703 -0.150 566 HB3 ASP 73 HB2 ASP 73 3.646 -4.184 1.144 567 H ALA 74 H ALA 74 3.137 -3.405 3.471 568 HA ALA 74 HA ALA 74 3.667 -5.866 4.843 569 HB1 ALA 74 HB1 ALA 74 4.955 -3.579 4.829 570 HB2 ALA 74 HB2 ALA 74 4.979 -4.579 6.282 571 HB3 ALA 74 HB3 ALA 74 3.894 -3.190 6.184 572 H PHE 75 H PHE 75 1.346 -3.246 5.443 573 HA PHE 75 HA PHE 75 0.464 -4.172 7.991 574 HB2 PHE 75 HB3 PHE 75 -0.093 -1.941 7.020 575 HB3 PHE 75 HB2 PHE 75 -1.192 -2.749 5.904 576 HD1 PHE 75 HD1 PHE 75 -0.585 -1.837 9.417 577 HD2 PHE 75 HD2 PHE 75 -3.263 -3.783 6.680 578 HE1 PHE 75 HE1 PHE 75 -2.347 -1.863 11.162 579 HE2 PHE 75 HE2 PHE 75 -5.025 -3.810 8.424 580 HZ PHE 75 HZ PHE 75 -4.569 -2.849 10.664 581 H VAL 76 H VAL 76 -0.799 -4.861 4.716 582 HA VAL 76 HA VAL 76 -2.883 -6.611 5.613 583 HB VAL 76 HB VAL 76 -1.409 -6.408 2.975 584 HG11 VAL 76 HG11 VAL 76 -3.894 -7.515 2.503 585 HG12 VAL 76 HG12 VAL 76 -3.377 -8.326 3.981 586 HG13 VAL 76 HG13 VAL 76 -2.371 -8.401 2.535 587 HG21 VAL 76 HG21 VAL 76 -4.225 -5.539 3.646 588 HG22 VAL 76 HG22 VAL 76 -3.231 -5.056 2.272 589 HG23 VAL 76 HG23 VAL 76 -2.846 -4.468 3.889 590 H VAL 77 H VAL 77 0.411 -7.293 4.356 591 HA VAL 77 HA VAL 77 0.182 -10.137 4.758 592 HB VAL 77 HB VAL 77 2.557 -8.292 4.407 593 HG11 VAL 77 HG11 VAL 77 3.546 -10.100 5.483 594 HG12 VAL 77 HG12 VAL 77 3.624 -10.615 3.799 595 HG13 VAL 77 HG13 VAL 77 2.365 -11.249 4.859 596 HG21 VAL 77 HG21 VAL 77 1.134 -8.475 2.438 597 HG22 VAL 77 HG22 VAL 77 1.103 -10.232 2.583 598 HG23 VAL 77 HG23 VAL 77 2.603 -9.409 2.160 599 H GLY 78 H GLY 78 1.739 -7.529 6.610 600 HA2 GLY 78 HA3 GLY 78 2.747 -9.154 8.715 601 HA3 GLY 78 HA2 GLY 78 2.411 -7.430 8.849 602 H ALA 79 H ALA 79 -0.446 -7.790 8.156 603 HA ALA 79 HA ALA 79 -1.448 -8.157 10.823 604 HB1 ALA 79 HB1 ALA 79 -3.714 -8.168 9.574 605 HB2 ALA 79 HB2 ALA 79 -2.757 -7.869 8.123 606 HB3 ALA 79 HB3 ALA 79 -2.722 -6.714 9.456 607 H THR 80 H THR 80 -1.486 -10.246 7.946 608 HA THR 80 HA THR 80 -2.982 -12.336 9.329 609 HB THR 80 HB THR 80 -2.631 -13.641 7.301 610 HG1 THR 80 HG1 THR 80 -1.232 -11.779 5.921 611 HG21 THR 80 HG21 THR 80 -4.182 -11.545 7.383 612 HG22 THR 80 HG22 THR 80 -3.833 -12.280 5.819 613 HG23 THR 80 HG23 THR 80 -2.979 -10.819 6.317 614 H THR 81 H THR 81 0.384 -11.577 8.679 615 HA THR 81 HA THR 81 1.145 -13.864 10.421 616 HB THR 81 HB THR 81 1.659 -14.557 8.165 617 HG1 THR 81 HG1 THR 81 4.004 -13.505 9.361 618 HG21 THR 81 HG21 THR 81 2.693 -11.750 7.942 619 HG22 THR 81 HG22 THR 81 1.625 -12.635 6.851 620 HG23 THR 81 HG23 THR 81 3.347 -13.009 6.895 621 HA PRO 82 HA PRO 82 3.415 -10.793 12.679 622 HB2 PRO 82 HB2 PRO 82 5.657 -12.293 13.385 623 HB3 PRO 82 HB3 PRO 82 4.119 -12.274 14.266 624 HG2 PRO 82 HG3 PRO 82 5.170 -14.261 12.332 625 HG3 PRO 82 HG2 PRO 82 4.163 -14.500 13.769 626 HD2 PRO 82 HD3 PRO 82 3.141 -14.602 11.256 627 HD3 PRO 82 HD2 PRO 82 2.195 -14.018 12.641 628 HA PRO 83 HA PRO 83 6.200 -9.645 9.272 629 HB2 PRO 83 HB2 PRO 83 6.482 -7.006 9.956 630 HB3 PRO 83 HB3 PRO 83 5.118 -7.654 9.032 631 HG2 PRO 83 HG3 PRO 83 5.261 -6.825 11.857 632 HG3 PRO 83 HG2 PRO 83 3.887 -6.820 10.743 633 HD2 PRO 83 HD3 PRO 83 4.336 -8.708 12.759 634 HD3 PRO 83 HD2 PRO 83 3.224 -8.908 11.390 635 H VAL 84 H VAL 84 8.414 -9.126 9.061 636 HA VAL 84 HA VAL 84 9.952 -9.307 11.610 637 HB VAL 84 HB VAL 84 10.898 -9.725 8.755 638 HG11 VAL 84 HG11 VAL 84 12.645 -9.052 10.397 639 HG12 VAL 84 HG12 VAL 84 12.874 -10.702 9.818 640 HG13 VAL 84 HG13 VAL 84 12.183 -10.416 11.416 641 HG21 VAL 84 HG21 VAL 84 10.994 -12.147 10.127 642 HG22 VAL 84 HG22 VAL 84 9.790 -11.694 8.919 643 HG23 VAL 84 HG23 VAL 84 9.456 -11.445 10.634 644 H GLU 85 H GLU 85 11.248 -7.595 12.226 645 HA GLU 85 HA GLU 85 11.919 -5.331 12.253 646 HB2 GLU 85 HB3 GLU 85 13.630 -6.436 10.784 647 HB3 GLU 85 HB2 GLU 85 12.650 -5.996 9.384 648 HG2 GLU 85 HG3 GLU 85 12.820 -3.602 10.060 649 HG3 GLU 85 HG2 GLU 85 13.890 -4.078 11.379 650 H ALA 86 H ALA 86 9.467 -4.892 12.262 651 HA ALA 86 HA ALA 86 7.898 -4.239 10.073 652 HB1 ALA 86 HB1 ALA 86 7.993 -2.384 12.445 653 HB2 ALA 86 HB2 ALA 86 7.395 -4.035 12.620 654 HB3 ALA 86 HB3 ALA 86 6.592 -2.918 11.515 655 H LYS 87 H LYS 87 7.515 -2.265 8.905 656 HA LYS 87 HA LYS 87 9.802 -0.966 7.891 657 HB2 LYS 87 HB3 LYS 87 7.544 -0.985 6.812 658 HB3 LYS 87 HB2 LYS 87 6.993 0.168 8.025 659 HG2 LYS 87 HG3 LYS 87 8.765 1.752 7.293 660 HG3 LYS 87 HG2 LYS 87 9.237 0.610 6.034 661 HD2 LYS 87 HD3 LYS 87 6.890 0.712 5.145 662 HD3 LYS 87 HD2 LYS 87 6.550 1.985 6.318 663 HE2 LYS 87 HE3 LYS 87 8.290 2.066 3.883 664 HE3 LYS 87 HE2 LYS 87 7.154 3.272 4.489 665 HZ1 LYS 87 HZ1 LYS 87 8.660 3.840 6.232 666 HZ2 LYS 87 HZ2 LYS 87 9.513 3.896 4.769 667 HZ3 LYS 87 HZ3 LYS 87 9.715 2.575 5.817 668 H LEU 88 H LEU 88 7.715 -0.086 10.615 669 HA LEU 88 HA LEU 88 9.235 2.413 11.043 670 HB2 LEU 88 HB3 LEU 88 7.023 1.189 12.721 671 HB3 LEU 88 HB2 LEU 88 7.644 2.835 12.841 672 HG LEU 88 HG LEU 88 6.217 1.624 10.456 673 HD11 LEU 88 HD11 LEU 88 5.326 3.024 12.814 674 HD12 LEU 88 HD12 LEU 88 4.362 2.374 11.489 675 HD13 LEU 88 HD13 LEU 88 5.010 4.012 11.387 676 HD21 LEU 88 HD21 LEU 88 7.685 3.117 9.441 677 HD22 LEU 88 HD22 LEU 88 7.767 4.160 10.860 678 HD23 LEU 88 HD23 LEU 88 6.343 4.196 9.820 679 H GLN 89 H GLN 89 10.683 2.711 12.747 680 HA GLN 89 HA GLN 89 11.041 0.576 14.747 681 HB2 GLN 89 HB3 GLN 89 13.349 0.128 14.202 682 HB3 GLN 89 HB2 GLN 89 12.408 -0.095 12.726 683 HG2 GLN 89 HG3 GLN 89 12.962 2.309 12.133 684 HG3 GLN 89 HG2 GLN 89 14.096 2.300 13.485 685 HE21 GLN 89 HE22 GLN 89 16.095 2.271 12.361 686 HE22 GLN 89 HE21 GLN 89 16.540 1.051 11.269 Start of MODEL 9 1 H1 SER -1 H1 SER -1 9.623 -13.319 -2.554 2 H2 SER -1 H2 SER -1 11.191 -12.669 -2.601 3 H3 SER -1 H3 SER -1 10.363 -13.000 -4.047 4 HA SER -1 HA SER -1 10.494 -10.577 -3.067 5 HB2 SER -1 HB3 SER -1 9.342 -10.530 -5.026 6 HB3 SER -1 HB2 SER -1 8.548 -12.068 -4.699 7 HG SER -1 HG SER -1 7.025 -10.419 -4.656 8 H GLU 0 H GLU 0 10.365 -10.257 -0.822 9 HA GLU 0 HA GLU 0 8.305 -11.271 0.868 10 HB2 GLU 0 HB3 GLU 0 9.995 -8.765 1.141 11 HB3 GLU 0 HB2 GLU 0 9.005 -9.453 2.430 12 HG2 GLU 0 HG3 GLU 0 10.286 -11.574 2.256 13 HG3 GLU 0 HG2 GLU 0 11.307 -10.837 1.021 14 H MET 1 H MET 1 8.472 -8.412 -1.184 15 HA MET 1 HA MET 1 6.241 -6.993 -0.133 16 HB2 MET 1 HB3 MET 1 7.164 -7.165 -3.019 17 HB3 MET 1 HB2 MET 1 6.139 -5.905 -2.332 18 HG2 MET 1 HG3 MET 1 8.989 -6.520 -1.497 19 HG3 MET 1 HG2 MET 1 8.471 -5.136 -2.458 20 HE1 MET 1 HE1 MET 1 5.573 -4.251 -0.681 21 HE2 MET 1 HE2 MET 1 6.715 -3.707 -1.917 22 HE3 MET 1 HE3 MET 1 6.605 -2.855 -0.379 23 H GLN 2 H GLN 2 6.447 -9.724 -2.352 24 HA GLN 2 HA GLN 2 4.793 -11.123 -3.229 25 HB2 GLN 2 HB3 GLN 2 3.247 -10.048 -0.850 26 HB3 GLN 2 HB2 GLN 2 2.772 -11.439 -1.823 27 HG2 GLN 2 HG3 GLN 2 5.385 -11.201 -0.305 28 HG3 GLN 2 HG2 GLN 2 3.980 -12.116 0.240 29 HE21 GLN 2 HE22 GLN 2 6.878 -12.785 -0.954 30 HE22 GLN 2 HE21 GLN 2 6.525 -14.060 -2.016 31 H HIS 3 H HIS 3 4.387 -10.075 -5.189 32 HA HIS 3 HA HIS 3 3.117 -8.929 -6.782 33 HB2 HIS 3 HB3 HIS 3 0.947 -9.019 -4.669 34 HB3 HIS 3 HB2 HIS 3 0.726 -8.819 -6.406 35 HD1 HIS 3 HD1 HIS 3 1.489 -11.387 -3.791 36 HD2 HIS 3 HD2 HIS 3 1.127 -11.206 -7.944 37 HE1 HIS 3 HE1 HIS 3 1.407 -13.784 -4.610 38 HE2 HIS 3 HE2 HIS 3 1.187 -13.685 -7.135 39 H ALA 4 H ALA 4 4.798 -7.257 -5.318 40 HA ALA 4 HA ALA 4 3.478 -5.030 -4.093 41 HB1 ALA 4 HB1 ALA 4 5.893 -4.301 -5.564 42 HB2 ALA 4 HB2 ALA 4 6.121 -5.763 -4.606 43 HB3 ALA 4 HB3 ALA 4 5.593 -4.271 -3.828 44 H SER 5 H SER 5 4.406 -5.698 -7.455 45 HA SER 5 HA SER 5 3.724 -3.164 -8.551 46 HB2 SER 5 HB3 SER 5 4.948 -4.994 -9.762 47 HB3 SER 5 HB2 SER 5 3.423 -5.864 -9.896 48 HG SER 5 HG SER 5 2.720 -4.435 -11.319 49 H VAL 6 H VAL 6 1.741 -5.965 -7.733 50 HA VAL 6 HA VAL 6 -0.636 -5.196 -9.089 51 HB VAL 6 HB VAL 6 -0.207 -6.740 -6.533 52 HG11 VAL 6 HG11 VAL 6 -2.718 -6.051 -8.042 53 HG12 VAL 6 HG12 VAL 6 -2.423 -5.990 -6.305 54 HG13 VAL 6 HG13 VAL 6 -2.609 -7.546 -7.112 55 HG21 VAL 6 HG21 VAL 6 -0.796 -7.506 -9.405 56 HG22 VAL 6 HG22 VAL 6 -0.852 -8.646 -8.061 57 HG23 VAL 6 HG23 VAL 6 0.668 -7.863 -8.489 58 H ILE 7 H ILE 7 0.497 -4.436 -5.805 59 HA ILE 7 HA ILE 7 -1.766 -2.894 -5.008 60 HB ILE 7 HB ILE 7 1.142 -2.545 -4.210 61 HG12 ILE 7 HG13 ILE 7 -1.027 -4.121 -2.801 62 HG13 ILE 7 HG12 ILE 7 0.102 -4.862 -3.938 63 HG21 ILE 7 HG21 ILE 7 0.191 -1.558 -2.159 64 HG22 ILE 7 HG22 ILE 7 -1.435 -1.762 -2.811 65 HG23 ILE 7 HG23 ILE 7 -0.309 -0.644 -3.583 66 HD11 ILE 7 HD11 ILE 7 1.976 -3.858 -2.530 67 HD12 ILE 7 HD12 ILE 7 1.065 -5.166 -1.774 68 HD13 ILE 7 HD13 ILE 7 0.745 -3.492 -1.321 69 H ALA 8 H ALA 8 1.289 -1.949 -6.581 70 HA ALA 8 HA ALA 8 0.735 0.845 -6.730 71 HB1 ALA 8 HB1 ALA 8 2.206 -0.396 -8.993 72 HB2 ALA 8 HB2 ALA 8 2.871 -0.687 -7.386 73 HB3 ALA 8 HB3 ALA 8 2.661 0.964 -7.967 74 H GLN 9 H GLN 9 -0.137 -1.870 -8.818 75 HA GLN 9 HA GLN 9 -1.192 -0.328 -10.985 76 HB2 GLN 9 HB3 GLN 9 -0.671 -2.782 -11.067 77 HB3 GLN 9 HB2 GLN 9 -2.098 -3.070 -10.072 78 HG2 GLN 9 HG3 GLN 9 -3.495 -1.947 -11.797 79 HG3 GLN 9 HG2 GLN 9 -2.061 -1.761 -12.807 80 HE21 GLN 9 HE22 GLN 9 -4.549 -3.985 -11.824 81 HE22 GLN 9 HE21 GLN 9 -3.977 -5.329 -12.688 82 H PHE 10 H PHE 10 -2.705 -1.603 -8.026 83 HA PHE 10 HA PHE 10 -5.378 -0.875 -8.685 84 HB2 PHE 10 HB3 PHE 10 -3.917 -1.379 -6.121 85 HB3 PHE 10 HB2 PHE 10 -5.530 -0.673 -6.057 86 HD1 PHE 10 HD2 PHE 10 -7.408 -1.865 -7.358 87 HD2 PHE 10 HD1 PHE 10 -3.643 -3.703 -6.413 88 HE1 PHE 10 HE2 PHE 10 -8.419 -4.106 -7.690 89 HE2 PHE 10 HE1 PHE 10 -4.657 -5.944 -6.742 90 HZ PHE 10 HZ PHE 10 -7.043 -6.144 -7.376 91 H VAL 11 H VAL 11 -2.949 0.943 -6.780 92 HA VAL 11 HA VAL 11 -4.639 3.229 -6.426 93 HB VAL 11 HB VAL 11 -2.487 4.430 -5.948 94 HG11 VAL 11 HG11 VAL 11 -2.811 3.575 -3.893 95 HG12 VAL 11 HG12 VAL 11 -1.902 2.138 -4.361 96 HG13 VAL 11 HG13 VAL 11 -3.650 2.191 -4.593 97 HG21 VAL 11 HG21 VAL 11 -0.423 3.007 -5.918 98 HG22 VAL 11 HG22 VAL 11 -1.040 3.300 -7.545 99 HG23 VAL 11 HG23 VAL 11 -1.332 1.751 -6.755 100 H VAL 12 H VAL 12 -2.241 2.389 -8.914 101 HA VAL 12 HA VAL 12 -2.387 4.870 -10.334 102 HB VAL 12 HB VAL 12 -1.710 2.074 -11.263 103 HG11 VAL 12 HG11 VAL 12 -1.423 4.741 -12.671 104 HG12 VAL 12 HG12 VAL 12 -2.408 3.375 -13.196 105 HG13 VAL 12 HG13 VAL 12 -0.650 3.250 -13.206 106 HG21 VAL 12 HG21 VAL 12 0.408 4.063 -11.223 107 HG22 VAL 12 HG22 VAL 12 0.346 2.490 -10.428 108 HG23 VAL 12 HG23 VAL 12 -0.344 3.906 -9.636 109 H GLU 13 H GLU 13 -4.159 1.794 -10.757 110 HA GLU 13 HA GLU 13 -5.768 2.773 -12.940 111 HB2 GLU 13 HB3 GLU 13 -6.120 0.456 -11.042 112 HB3 GLU 13 HB2 GLU 13 -7.182 0.765 -12.407 113 HG2 GLU 13 HG3 GLU 13 -5.224 0.674 -13.926 114 HG3 GLU 13 HG2 GLU 13 -4.205 0.274 -12.548 115 H GLU 14 H GLU 14 -6.039 2.916 -9.469 116 HA GLU 14 HA GLU 14 -8.840 3.448 -9.300 117 HB2 GLU 14 HB3 GLU 14 -7.350 2.863 -7.367 118 HB3 GLU 14 HB2 GLU 14 -6.678 4.491 -7.455 119 HG2 GLU 14 HG3 GLU 14 -8.969 5.422 -7.148 120 HG3 GLU 14 HG2 GLU 14 -9.585 3.780 -6.965 121 H PHE 15 H PHE 15 -6.103 5.560 -10.044 122 HA PHE 15 HA PHE 15 -8.091 7.741 -10.520 123 HB2 PHE 15 HB3 PHE 15 -5.395 8.018 -9.171 124 HB3 PHE 15 HB2 PHE 15 -6.405 9.372 -9.674 125 HD1 PHE 15 HD2 PHE 15 -8.722 9.620 -8.688 126 HD2 PHE 15 HD1 PHE 15 -5.839 6.830 -7.156 127 HE1 PHE 15 HE2 PHE 15 -10.014 9.444 -6.579 128 HE2 PHE 15 HE1 PHE 15 -7.131 6.653 -5.046 129 HZ PHE 15 HZ PHE 15 -9.218 7.960 -4.758 130 H LEU 16 H LEU 16 -4.850 6.463 -11.300 131 HA LEU 16 HA LEU 16 -5.033 7.972 -13.879 132 HB2 LEU 16 HB3 LEU 16 -2.796 7.570 -11.955 133 HB3 LEU 16 HB2 LEU 16 -2.401 7.596 -13.672 134 HG LEU 16 HG LEU 16 -4.141 9.723 -12.430 135 HD11 LEU 16 HD11 LEU 16 -2.293 10.232 -11.179 136 HD12 LEU 16 HD12 LEU 16 -1.741 10.955 -12.690 137 HD13 LEU 16 HD13 LEU 16 -1.203 9.338 -12.238 138 HD21 LEU 16 HD21 LEU 16 -3.430 9.107 -15.049 139 HD22 LEU 16 HD22 LEU 16 -2.313 10.402 -14.615 140 HD23 LEU 16 HD23 LEU 16 -4.053 10.660 -14.491 141 HA PRO 17 HA PRO 17 -4.743 3.443 -14.837 142 HB2 PRO 17 HB2 PRO 17 -6.700 3.425 -16.752 143 HB3 PRO 17 HB3 PRO 17 -7.015 3.175 -15.026 144 HG2 PRO 17 HG3 PRO 17 -7.471 5.566 -16.703 145 HG3 PRO 17 HG2 PRO 17 -8.368 4.980 -15.297 146 HD2 PRO 17 HD3 PRO 17 -6.539 7.077 -15.264 147 HD3 PRO 17 HD2 PRO 17 -7.076 6.171 -13.836 148 H ASP 18 H ASP 18 -4.489 6.357 -16.660 149 HA ASP 18 HA ASP 18 -3.487 4.975 -19.067 150 HB2 ASP 18 HB3 ASP 18 -3.888 7.890 -18.387 151 HB3 ASP 18 HB2 ASP 18 -3.236 7.326 -19.919 152 H VAL 19 H VAL 19 -2.169 5.467 -16.172 153 HA VAL 19 HA VAL 19 0.482 6.330 -17.263 154 HB VAL 19 HB VAL 19 -0.480 6.374 -14.388 155 HG11 VAL 19 HG11 VAL 19 2.017 7.409 -15.762 156 HG12 VAL 19 HG12 VAL 19 1.930 6.147 -14.533 157 HG13 VAL 19 HG13 VAL 19 1.560 7.819 -14.108 158 HG21 VAL 19 HG21 VAL 19 -0.064 8.688 -16.305 159 HG22 VAL 19 HG22 VAL 19 -0.707 8.771 -14.665 160 HG23 VAL 19 HG23 VAL 19 -1.643 7.991 -15.940 161 H ALA 20 H ALA 20 2.164 4.894 -17.124 162 HA ALA 20 HA ALA 20 1.605 2.147 -16.408 163 HB1 ALA 20 HB1 ALA 20 3.699 1.661 -17.293 164 HB2 ALA 20 HB2 ALA 20 4.394 3.186 -16.743 165 HB3 ALA 20 HB3 ALA 20 3.314 3.162 -18.138 166 HA PRO 21 HA PRO 21 2.351 2.829 -11.968 167 HB2 PRO 21 HB2 PRO 21 2.871 -0.106 -12.046 168 HB3 PRO 21 HB3 PRO 21 1.802 0.821 -10.979 169 HG2 PRO 21 HG3 PRO 21 0.864 -0.672 -12.991 170 HG3 PRO 21 HG2 PRO 21 0.086 0.836 -12.483 171 HD2 PRO 21 HD3 PRO 21 1.687 0.286 -14.926 172 HD3 PRO 21 HD2 PRO 21 0.410 1.491 -14.649 173 H ALA 22 H ALA 22 4.483 1.126 -14.179 174 HA ALA 22 HA ALA 22 6.734 0.840 -12.426 175 HB1 ALA 22 HB1 ALA 22 7.120 1.362 -15.351 176 HB2 ALA 22 HB2 ALA 22 6.260 -0.098 -14.864 177 HB3 ALA 22 HB3 ALA 22 7.912 0.176 -14.313 178 H ASP 23 H ASP 23 5.415 3.554 -14.161 179 HA ASP 23 HA ASP 23 7.857 5.158 -13.965 180 HB2 ASP 23 HB3 ASP 23 6.172 5.463 -15.795 181 HB3 ASP 23 HB2 ASP 23 5.028 6.053 -14.588 182 H VAL 24 H VAL 24 5.901 4.074 -11.626 183 HA VAL 24 HA VAL 24 5.826 6.664 -10.132 184 HB VAL 24 HB VAL 24 4.484 4.069 -9.355 185 HG11 VAL 24 HG11 VAL 24 4.920 6.176 -7.803 186 HG12 VAL 24 HG12 VAL 24 3.380 5.316 -7.745 187 HG13 VAL 24 HG13 VAL 24 3.519 6.817 -8.661 188 HG21 VAL 24 HG21 VAL 24 3.318 6.392 -10.931 189 HG22 VAL 24 HG22 VAL 24 2.433 4.969 -10.379 190 HG23 VAL 24 HG23 VAL 24 3.696 4.804 -11.599 191 H ASP 25 H ASP 25 7.144 6.893 -8.350 192 HA ASP 25 HA ASP 25 8.977 4.658 -7.745 193 HB2 ASP 25 HB3 ASP 25 8.845 7.514 -6.724 194 HB3 ASP 25 HB2 ASP 25 10.087 6.348 -6.265 195 H VAL 26 H VAL 26 8.439 3.230 -6.160 196 HA VAL 26 HA VAL 26 6.229 3.768 -4.347 197 HB VAL 26 HB VAL 26 6.704 1.542 -3.465 198 HG11 VAL 26 HG11 VAL 26 6.332 2.142 -6.266 199 HG12 VAL 26 HG12 VAL 26 5.633 0.833 -5.313 200 HG13 VAL 26 HG13 VAL 26 7.206 0.620 -6.083 201 HG21 VAL 26 HG21 VAL 26 8.681 0.283 -4.368 202 HG22 VAL 26 HG22 VAL 26 9.129 1.649 -3.346 203 HG23 VAL 26 HG23 VAL 26 9.245 1.785 -5.100 204 H ASP 27 H ASP 27 9.248 4.977 -4.366 205 HA ASP 27 HA ASP 27 9.820 4.641 -1.488 206 HB2 ASP 27 HB3 ASP 27 11.263 6.102 -3.719 207 HB3 ASP 27 HB2 ASP 27 11.819 6.059 -2.049 208 H LEU 28 H LEU 28 7.904 6.597 -3.394 209 HA LEU 28 HA LEU 28 8.277 9.007 -1.693 210 HB2 LEU 28 HB3 LEU 28 8.139 9.281 -4.165 211 HB3 LEU 28 HB2 LEU 28 6.514 8.607 -4.129 212 HG LEU 28 HG LEU 28 5.875 10.438 -2.515 213 HD11 LEU 28 HD11 LEU 28 7.550 12.463 -2.795 214 HD12 LEU 28 HD12 LEU 28 8.729 11.182 -3.072 215 HD13 LEU 28 HD13 LEU 28 7.835 11.245 -1.554 216 HD21 LEU 28 HD21 LEU 28 6.535 12.219 -4.566 217 HD22 LEU 28 HD22 LEU 28 5.073 11.237 -4.471 218 HD23 LEU 28 HD23 LEU 28 6.476 10.645 -5.361 219 H ASP 29 H ASP 29 6.704 9.653 -0.235 220 HA ASP 29 HA ASP 29 4.865 7.718 0.754 221 HB2 ASP 29 HB3 ASP 29 4.939 10.733 1.089 222 HB3 ASP 29 HB2 ASP 29 3.865 9.675 2.001 223 H LEU 30 H LEU 30 2.797 7.252 0.229 224 HA LEU 30 HA LEU 30 1.724 8.161 -2.277 225 HB2 LEU 30 HB3 LEU 30 1.318 5.967 -0.802 226 HB3 LEU 30 HB2 LEU 30 -0.047 6.917 -0.228 227 HG LEU 30 HG LEU 30 0.575 6.200 -3.103 228 HD11 LEU 30 HD11 LEU 30 -2.055 5.607 -1.917 229 HD12 LEU 30 HD12 LEU 30 -0.715 4.736 -1.171 230 HD13 LEU 30 HD13 LEU 30 -1.011 4.586 -2.903 231 HD21 LEU 30 HD21 LEU 30 -1.751 7.332 -3.399 232 HD22 LEU 30 HD22 LEU 30 -0.329 8.365 -3.258 233 HD23 LEU 30 HD23 LEU 30 -1.387 8.123 -1.868 234 H VAL 31 H VAL 31 0.980 8.955 1.106 235 HA VAL 31 HA VAL 31 -1.334 10.532 0.549 236 HB VAL 31 HB VAL 31 0.636 10.681 2.839 237 HG11 VAL 31 HG11 VAL 31 -0.385 12.667 3.250 238 HG12 VAL 31 HG12 VAL 31 -1.780 11.691 3.710 239 HG13 VAL 31 HG13 VAL 31 -1.663 12.349 2.077 240 HG21 VAL 31 HG21 VAL 31 -0.467 8.855 3.574 241 HG22 VAL 31 HG22 VAL 31 -1.428 8.847 2.095 242 HG23 VAL 31 HG23 VAL 31 -1.988 9.745 3.506 243 H ASP 32 H ASP 32 2.107 11.378 0.608 244 HA ASP 32 HA ASP 32 1.888 14.185 0.559 245 HB2 ASP 32 HB3 ASP 32 4.040 12.843 0.571 246 HB3 ASP 32 HB2 ASP 32 3.807 12.580 -1.158 247 H ASN 33 H ASN 33 1.307 11.806 -1.950 248 HA ASN 33 HA ASN 33 1.038 13.681 -4.128 249 HB2 ASN 33 HB3 ASN 33 0.049 10.862 -3.713 250 HB3 ASN 33 HB2 ASN 33 -0.138 11.739 -5.225 251 HD21 ASN 33 HD22 ASN 33 1.432 9.357 -5.119 252 HD22 ASN 33 HD21 ASN 33 3.062 9.769 -5.356 253 H GLY 34 H GLY 34 -1.195 12.305 -1.760 254 HA2 GLY 34 HA3 GLY 34 -3.291 13.215 -1.091 255 HA3 GLY 34 HA2 GLY 34 -3.158 14.403 -2.391 256 H VAL 35 H VAL 35 -2.435 11.379 -3.595 257 HA VAL 35 HA VAL 35 -4.731 11.252 -5.282 258 HB VAL 35 HB VAL 35 -2.771 9.090 -4.448 259 HG11 VAL 35 HG11 VAL 35 -4.762 7.989 -5.230 260 HG12 VAL 35 HG12 VAL 35 -3.610 7.970 -6.565 261 HG13 VAL 35 HG13 VAL 35 -4.938 9.130 -6.563 262 HG21 VAL 35 HG21 VAL 35 -2.743 10.094 -7.200 263 HG22 VAL 35 HG22 VAL 35 -1.408 9.905 -6.064 264 HG23 VAL 35 HG23 VAL 35 -2.410 11.356 -6.014 265 H ILE 36 H ILE 36 -4.041 9.983 -2.091 266 HA ILE 36 HA ILE 36 -6.498 8.363 -2.045 267 HB ILE 36 HB ILE 36 -4.509 9.009 0.154 268 HG12 ILE 36 HG13 ILE 36 -4.839 6.481 -1.483 269 HG13 ILE 36 HG12 ILE 36 -3.621 7.709 -1.804 270 HG21 ILE 36 HG21 ILE 36 -5.549 7.051 1.266 271 HG22 ILE 36 HG22 ILE 36 -6.735 6.965 -0.034 272 HG23 ILE 36 HG23 ILE 36 -6.701 8.367 1.036 273 HD11 ILE 36 HD11 ILE 36 -3.358 5.568 -0.037 274 HD12 ILE 36 HD12 ILE 36 -3.670 6.958 1.003 275 HD13 ILE 36 HD13 ILE 36 -2.308 6.982 -0.116 276 H ASP 37 H ASP 37 -8.399 9.063 -1.262 277 HA ASP 37 HA ASP 37 -8.470 11.594 0.322 278 HB2 ASP 37 HB3 ASP 37 -9.228 11.855 -2.096 279 HB3 ASP 37 HB2 ASP 37 -10.558 10.762 -1.711 280 H ALA 38 H ALA 38 -11.201 11.572 0.899 281 HA ALA 38 HA ALA 38 -11.340 9.619 2.994 282 HB1 ALA 38 HB1 ALA 38 -12.716 11.916 2.414 283 HB2 ALA 38 HB2 ALA 38 -13.217 10.743 3.633 284 HB3 ALA 38 HB3 ALA 38 -13.914 10.683 2.014 285 H LEU 39 H LEU 39 -13.174 9.870 -0.059 286 HA LEU 39 HA LEU 39 -14.292 7.216 0.182 287 HB2 LEU 39 HB3 LEU 39 -13.915 8.877 -2.322 288 HB3 LEU 39 HB2 LEU 39 -15.040 7.542 -2.110 289 HG LEU 39 HG LEU 39 -15.109 10.218 -0.713 290 HD11 LEU 39 HD11 LEU 39 -17.189 8.850 -2.433 291 HD12 LEU 39 HD12 LEU 39 -16.019 10.008 -3.065 292 HD13 LEU 39 HD13 LEU 39 -17.202 10.518 -1.860 293 HD21 LEU 39 HD21 LEU 39 -16.520 7.619 -0.160 294 HD22 LEU 39 HD22 LEU 39 -17.317 9.151 0.200 295 HD23 LEU 39 HD23 LEU 39 -15.789 8.746 0.983 296 H GLY 40 H GLY 40 -11.439 8.667 -1.209 297 HA2 GLY 40 HA3 GLY 40 -10.527 6.493 -2.784 298 HA3 GLY 40 HA2 GLY 40 -9.481 7.708 -2.039 299 H LEU 41 H LEU 41 -10.123 7.243 0.660 300 HA LEU 41 HA LEU 41 -8.412 5.023 1.264 301 HB2 LEU 41 HB3 LEU 41 -8.776 7.023 2.737 302 HB3 LEU 41 HB2 LEU 41 -10.396 6.418 3.085 303 HG LEU 41 HG LEU 41 -8.214 4.453 3.461 304 HD11 LEU 41 HD11 LEU 41 -7.876 5.563 5.811 305 HD12 LEU 41 HD12 LEU 41 -8.405 7.033 4.992 306 HD13 LEU 41 HD13 LEU 41 -6.967 6.182 4.432 307 HD21 LEU 41 HD21 LEU 41 -9.565 4.000 5.506 308 HD22 LEU 41 HD22 LEU 41 -10.552 3.971 4.045 309 HD23 LEU 41 HD23 LEU 41 -10.592 5.377 5.108 310 H LEU 42 H LEU 42 -11.932 5.468 1.320 311 HA LEU 42 HA LEU 42 -12.624 2.930 2.412 312 HB2 LEU 42 HB3 LEU 42 -14.243 4.777 2.110 313 HB3 LEU 42 HB2 LEU 42 -14.113 4.603 0.360 314 HG LEU 42 HG LEU 42 -14.708 2.047 1.050 315 HD11 LEU 42 HD11 LEU 42 -14.945 2.615 3.434 316 HD12 LEU 42 HD12 LEU 42 -16.493 2.118 2.752 317 HD13 LEU 42 HD13 LEU 42 -16.159 3.829 3.026 318 HD21 LEU 42 HD21 LEU 42 -17.152 2.816 0.594 319 HD22 LEU 42 HD22 LEU 42 -15.939 3.079 -0.660 320 HD23 LEU 42 HD23 LEU 42 -16.439 4.415 0.381 321 H LYS 43 H LYS 43 -12.193 3.965 -0.958 322 HA LYS 43 HA LYS 43 -12.803 1.478 -2.173 323 HB2 LYS 43 HB3 LYS 43 -10.919 3.672 -3.053 324 HB3 LYS 43 HB2 LYS 43 -11.417 2.330 -4.077 325 HG2 LYS 43 HG3 LYS 43 -13.796 3.006 -3.744 326 HG3 LYS 43 HG2 LYS 43 -13.237 4.406 -2.831 327 HD2 LYS 43 HD3 LYS 43 -11.912 5.124 -4.829 328 HD3 LYS 43 HD2 LYS 43 -12.618 3.785 -5.733 329 HE2 LYS 43 HE3 LYS 43 -14.246 5.272 -6.277 330 HE3 LYS 43 HE2 LYS 43 -14.850 4.965 -4.648 331 HZ1 LYS 43 HZ1 LYS 43 -14.077 6.929 -3.889 332 HZ2 LYS 43 HZ2 LYS 43 -14.240 7.382 -5.514 333 HZ3 LYS 43 HZ3 LYS 43 -12.718 6.933 -4.908 334 H VAL 44 H VAL 44 -9.815 2.709 -0.758 335 HA VAL 44 HA VAL 44 -8.053 0.684 -1.697 336 HB VAL 44 HB VAL 44 -8.011 2.340 0.832 337 HG11 VAL 44 HG11 VAL 44 -5.430 1.631 0.429 338 HG12 VAL 44 HG12 VAL 44 -6.231 0.179 -0.169 339 HG13 VAL 44 HG13 VAL 44 -6.516 0.725 1.482 340 HG21 VAL 44 HG21 VAL 44 -7.798 3.316 -1.600 341 HG22 VAL 44 HG22 VAL 44 -6.183 2.608 -1.543 342 HG23 VAL 44 HG23 VAL 44 -6.652 3.829 -0.360 343 H ILE 45 H ILE 45 -9.917 0.890 1.328 344 HA ILE 45 HA ILE 45 -9.079 -1.674 2.307 345 HB ILE 45 HB ILE 45 -11.227 0.289 2.990 346 HG12 ILE 45 HG13 ILE 45 -10.123 0.039 5.230 347 HG13 ILE 45 HG12 ILE 45 -8.997 -1.106 4.506 348 HG21 ILE 45 HG21 ILE 45 -11.877 -1.407 4.828 349 HG22 ILE 45 HG22 ILE 45 -11.151 -2.620 3.774 350 HG23 ILE 45 HG23 ILE 45 -12.523 -1.667 3.209 351 HD11 ILE 45 HD11 ILE 45 -7.781 0.542 3.546 352 HD12 ILE 45 HD12 ILE 45 -8.649 1.641 4.618 353 HD13 ILE 45 HD13 ILE 45 -9.224 1.379 2.974 354 H ALA 46 H ALA 46 -11.775 -0.662 0.246 355 HA ALA 46 HA ALA 46 -13.280 -3.085 0.464 356 HB1 ALA 46 HB1 ALA 46 -14.394 -1.208 -0.457 357 HB2 ALA 46 HB2 ALA 46 -14.204 -2.328 -1.806 358 HB3 ALA 46 HB3 ALA 46 -13.125 -0.942 -1.652 359 H TRP 47 H TRP 47 -10.922 -2.083 -2.066 360 HA TRP 47 HA TRP 47 -11.088 -4.743 -3.288 361 HB2 TRP 47 HB3 TRP 47 -10.318 -3.591 -5.056 362 HB3 TRP 47 HB2 TRP 47 -10.059 -2.171 -4.042 363 HD1 TRP 47 HD1 TRP 47 -8.262 -5.516 -4.824 364 HE1 TRP 47 HE1 TRP 47 -5.719 -5.091 -4.723 365 HE3 TRP 47 HE3 TRP 47 -8.255 -0.610 -3.488 366 HZ2 TRP 47 HZ2 TRP 47 -3.919 -2.936 -4.147 367 HZ3 TRP 47 HZ3 TRP 47 -6.123 0.617 -3.164 368 HH2 TRP 47 HH2 TRP 47 -3.955 -0.540 -3.497 369 H LEU 48 H LEU 48 -8.666 -2.941 -1.401 370 HA LEU 48 HA LEU 48 -6.631 -4.906 -1.450 371 HB2 LEU 48 HB3 LEU 48 -6.397 -2.569 -0.571 372 HB3 LEU 48 HB2 LEU 48 -7.325 -3.047 0.847 373 HG LEU 48 HG LEU 48 -5.520 -4.952 1.020 374 HD11 LEU 48 HD11 LEU 48 -3.526 -4.649 -0.086 375 HD12 LEU 48 HD12 LEU 48 -3.700 -2.895 -0.133 376 HD13 LEU 48 HD13 LEU 48 -4.596 -3.899 -1.271 377 HD21 LEU 48 HD21 LEU 48 -5.512 -2.111 1.872 378 HD22 LEU 48 HD22 LEU 48 -3.980 -2.966 2.053 379 HD23 LEU 48 HD23 LEU 48 -5.431 -3.577 2.848 380 H GLU 49 H GLU 49 -9.380 -4.526 0.795 381 HA GLU 49 HA GLU 49 -8.613 -6.802 2.410 382 HB2 GLU 49 HB3 GLU 49 -10.624 -6.439 3.580 383 HB3 GLU 49 HB2 GLU 49 -10.151 -4.834 3.051 384 HG2 GLU 49 HG3 GLU 49 -12.398 -4.891 2.425 385 HG3 GLU 49 HG2 GLU 49 -11.592 -5.400 0.946 386 H ASP 50 H ASP 50 -10.736 -6.329 -0.380 387 HA ASP 50 HA ASP 50 -12.033 -8.852 -0.343 388 HB2 ASP 50 HB3 ASP 50 -12.616 -6.913 -1.820 389 HB3 ASP 50 HB2 ASP 50 -11.196 -7.298 -2.791 390 H ARG 51 H ARG 51 -8.893 -7.913 -1.706 391 HA ARG 51 HA ARG 51 -8.376 -10.329 -3.102 392 HB2 ARG 51 HB3 ARG 51 -6.481 -8.357 -1.835 393 HB3 ARG 51 HB2 ARG 51 -5.979 -9.654 -2.912 394 HG2 ARG 51 HG3 ARG 51 -7.564 -8.740 -4.639 395 HG3 ARG 51 HG2 ARG 51 -7.843 -7.365 -3.570 396 HD2 ARG 51 HD3 ARG 51 -5.188 -8.203 -4.766 397 HD3 ARG 51 HD2 ARG 51 -6.125 -6.771 -5.194 398 HE ARG 51 HE ARG 51 -5.744 -6.341 -2.551 399 HH11 ARG 51 HH22 ARG 51 -3.637 -7.450 -5.052 400 HH12 ARG 51 HH21 ARG 51 -2.211 -6.800 -4.317 401 HH21 ARG 51 HH11 ARG 51 -3.891 -5.488 -1.586 402 HH22 ARG 51 HH12 ARG 51 -2.354 -5.688 -2.357 403 H PHE 52 H PHE 52 -7.748 -9.486 0.314 404 HA PHE 52 HA PHE 52 -6.571 -12.183 0.681 405 HB2 PHE 52 HB3 PHE 52 -6.737 -9.760 2.490 406 HB3 PHE 52 HB2 PHE 52 -6.047 -11.305 2.977 407 HD1 PHE 52 HD2 PHE 52 -3.974 -12.147 1.971 408 HD2 PHE 52 HD1 PHE 52 -5.625 -8.346 0.841 409 HE1 PHE 52 HE2 PHE 52 -1.835 -11.545 0.871 410 HE2 PHE 52 HE1 PHE 52 -3.485 -7.744 -0.260 411 HZ PHE 52 HZ PHE 52 -1.590 -9.345 -0.245 412 H GLY 53 H GLY 53 -9.565 -10.605 1.003 413 HA2 GLY 53 HA3 GLY 53 -11.611 -11.455 1.792 414 HA3 GLY 53 HA2 GLY 53 -10.780 -12.973 2.144 415 H ILE 54 H ILE 54 -9.672 -9.875 3.369 416 HA ILE 54 HA ILE 54 -10.219 -10.893 6.112 417 HB ILE 54 HB ILE 54 -8.530 -9.224 6.820 418 HG12 ILE 54 HG13 ILE 54 -8.297 -8.676 3.844 419 HG13 ILE 54 HG12 ILE 54 -9.010 -7.575 5.022 420 HG21 ILE 54 HG21 ILE 54 -7.159 -10.980 6.477 421 HG22 ILE 54 HG22 ILE 54 -6.807 -10.314 4.882 422 HG23 ILE 54 HG23 ILE 54 -8.096 -11.501 5.076 423 HD11 ILE 54 HD11 ILE 54 -6.291 -7.771 4.307 424 HD12 ILE 54 HD12 ILE 54 -6.410 -8.446 5.931 425 HD13 ILE 54 HD13 ILE 54 -6.982 -6.807 5.612 426 H ALA 55 H ALA 55 -11.282 -9.548 7.651 427 HA ALA 55 HA ALA 55 -13.092 -7.563 6.424 428 HB1 ALA 55 HB1 ALA 55 -13.403 -7.795 9.279 429 HB2 ALA 55 HB2 ALA 55 -13.287 -9.405 8.569 430 HB3 ALA 55 HB3 ALA 55 -14.523 -8.280 8.005 431 H ALA 56 H ALA 56 -12.315 -5.517 6.269 432 HA ALA 56 HA ALA 56 -10.157 -4.505 7.887 433 HB1 ALA 56 HB1 ALA 56 -11.909 -3.504 5.744 434 HB2 ALA 56 HB2 ALA 56 -10.194 -3.200 6.029 435 HB3 ALA 56 HB3 ALA 56 -11.413 -2.265 6.897 436 H ASP 57 H ASP 57 -13.636 -4.527 8.227 437 HA ASP 57 HA ASP 57 -14.017 -2.396 10.024 438 HB2 ASP 57 HB3 ASP 57 -15.373 -5.088 9.870 439 HB3 ASP 57 HB2 ASP 57 -15.947 -3.764 10.877 440 H ASP 58 H ASP 58 -12.810 -5.665 10.626 441 HA ASP 58 HA ASP 58 -12.927 -5.686 13.442 442 HB2 ASP 58 HB3 ASP 58 -10.866 -6.868 11.578 443 HB3 ASP 58 HB2 ASP 58 -10.946 -7.230 13.301 444 H VAL 59 H VAL 59 -10.512 -4.232 11.296 445 HA VAL 59 HA VAL 59 -9.368 -2.850 13.691 446 HB VAL 59 HB VAL 59 -7.872 -3.696 11.205 447 HG11 VAL 59 HG11 VAL 59 -6.246 -3.130 13.502 448 HG12 VAL 59 HG12 VAL 59 -7.321 -1.763 13.212 449 HG13 VAL 59 HG13 VAL 59 -6.245 -2.325 11.934 450 HG21 VAL 59 HG21 VAL 59 -6.710 -5.182 13.012 451 HG22 VAL 59 HG22 VAL 59 -8.256 -5.713 12.350 452 HG23 VAL 59 HG23 VAL 59 -8.194 -4.932 13.931 453 H GLU 60 H GLU 60 -9.207 -0.630 13.513 454 HA GLU 60 HA GLU 60 -10.349 0.584 11.074 455 HB2 GLU 60 HB3 GLU 60 -11.047 1.341 13.360 456 HB3 GLU 60 HB2 GLU 60 -9.410 1.927 13.625 457 HG2 GLU 60 HG3 GLU 60 -9.643 3.372 11.617 458 HG3 GLU 60 HG2 GLU 60 -11.315 2.844 11.468 459 H LEU 61 H LEU 61 -9.109 1.568 9.531 460 HA LEU 61 HA LEU 61 -6.189 1.694 10.004 461 HB2 LEU 61 HB3 LEU 61 -7.734 2.013 7.418 462 HB3 LEU 61 HB2 LEU 61 -6.000 1.792 7.590 463 HG LEU 61 HG LEU 61 -8.147 -0.202 8.308 464 HD11 LEU 61 HD11 LEU 61 -7.559 0.023 5.890 465 HD12 LEU 61 HD12 LEU 61 -7.136 -1.556 6.553 466 HD13 LEU 61 HD13 LEU 61 -5.883 -0.340 6.299 467 HD21 LEU 61 HD21 LEU 61 -5.199 -0.090 8.898 468 HD22 LEU 61 HD22 LEU 61 -5.993 -1.647 8.672 469 HD23 LEU 61 HD23 LEU 61 -6.523 -0.569 9.961 470 H SER 62 H SER 62 -5.062 3.638 9.835 471 HA SER 62 HA SER 62 -6.745 6.091 9.648 472 HB2 SER 62 HB3 SER 62 -5.725 6.600 11.601 473 HB3 SER 62 HB2 SER 62 -4.591 5.264 11.427 474 HG SER 62 HG SER 62 -4.342 7.590 9.855 475 HA PRO 63 HA PRO 63 -4.802 7.391 5.932 476 HB2 PRO 63 HB2 PRO 63 -4.007 9.988 6.663 477 HB3 PRO 63 HB3 PRO 63 -5.580 9.529 5.991 478 HG2 PRO 63 HG3 PRO 63 -4.802 10.056 8.797 479 HG3 PRO 63 HG2 PRO 63 -6.348 10.332 7.976 480 HD2 PRO 63 HD3 PRO 63 -5.985 8.276 9.711 481 HD3 PRO 63 HD2 PRO 63 -7.069 8.149 8.307 482 H GLU 64 H GLU 64 -3.031 7.685 8.934 483 HA GLU 64 HA GLU 64 -0.465 8.310 7.796 484 HB2 GLU 64 HB3 GLU 64 -1.197 6.956 10.397 485 HB3 GLU 64 HB2 GLU 64 0.404 7.550 9.993 486 HG2 GLU 64 HG3 GLU 64 -0.543 9.823 9.710 487 HG3 GLU 64 HG2 GLU 64 -2.110 9.205 10.217 488 H HIS 65 H HIS 65 -2.284 5.370 8.286 489 HA HIS 65 HA HIS 65 -0.098 3.547 7.963 490 HB2 HIS 65 HB3 HIS 65 -2.021 2.534 8.820 491 HB3 HIS 65 HB2 HIS 65 -3.079 3.344 7.664 492 HD1 HIS 65 HD1 HIS 65 -4.011 1.615 6.132 493 HD2 HIS 65 HD2 HIS 65 0.012 0.908 6.975 494 HE1 HIS 65 HE1 HIS 65 -3.327 -0.392 4.741 495 HE2 HIS 65 HE2 HIS 65 -0.879 -0.821 5.242 496 H PHE 66 H PHE 66 -1.784 5.586 5.798 497 HA PHE 66 HA PHE 66 -0.938 4.038 3.421 498 HB2 PHE 66 HB3 PHE 66 -2.442 6.667 3.559 499 HB3 PHE 66 HB2 PHE 66 -2.259 5.625 2.148 500 HD1 PHE 66 HD1 PHE 66 -3.515 5.541 5.681 501 HD2 PHE 66 HD2 PHE 66 -3.897 4.018 1.682 502 HE1 PHE 66 HE1 PHE 66 -5.531 4.269 6.361 503 HE2 PHE 66 HE2 PHE 66 -5.913 2.747 2.364 504 HZ PHE 66 HZ PHE 66 -6.728 2.876 4.701 505 H ARG 67 H ARG 67 0.673 5.754 5.463 506 HA ARG 67 HA ARG 67 1.794 8.035 4.412 507 HB2 ARG 67 HB3 ARG 67 3.870 7.364 5.575 508 HB3 ARG 67 HB2 ARG 67 2.450 7.028 6.560 509 HG2 ARG 67 HG3 ARG 67 2.658 4.705 5.150 510 HG3 ARG 67 HG2 ARG 67 4.355 5.155 5.301 511 HD2 ARG 67 HD3 ARG 67 3.726 5.594 7.813 512 HD3 ARG 67 HD2 ARG 67 2.361 4.538 7.459 513 HE ARG 67 HE ARG 67 4.918 3.419 6.611 514 HH11 ARG 67 HH22 ARG 67 2.653 3.884 9.170 515 HH12 ARG 67 HH21 ARG 67 3.157 2.479 10.049 516 HH21 ARG 67 HH11 ARG 67 5.588 1.583 7.745 517 HH22 ARG 67 HH12 ARG 67 4.819 1.176 9.242 518 H SER 68 H SER 68 2.529 4.690 3.393 519 HA SER 68 HA SER 68 3.534 5.756 0.847 520 HB2 SER 68 HB3 SER 68 5.726 4.636 1.042 521 HB3 SER 68 HB2 SER 68 5.528 5.879 2.274 522 HG SER 68 HG SER 68 5.557 4.387 3.761 523 H ILE 69 H ILE 69 3.968 3.991 -0.721 524 HA ILE 69 HA ILE 69 1.940 2.009 -0.719 525 HB ILE 69 HB ILE 69 4.561 1.971 -2.246 526 HG12 ILE 69 HG13 ILE 69 3.521 4.111 -2.612 527 HG13 ILE 69 HG12 ILE 69 3.195 3.121 -4.029 528 HG21 ILE 69 HG21 ILE 69 2.069 0.413 -2.324 529 HG22 ILE 69 HG22 ILE 69 3.673 0.007 -2.929 530 HG23 ILE 69 HG23 ILE 69 2.599 1.026 -3.887 531 HD11 ILE 69 HD11 ILE 69 1.091 4.029 -3.560 532 HD12 ILE 69 HD12 ILE 69 1.324 3.923 -1.815 533 HD13 ILE 69 HD13 ILE 69 1.012 2.463 -2.756 534 H ARG 70 H ARG 70 5.416 1.762 0.053 535 HA ARG 70 HA ARG 70 5.486 -1.044 0.445 536 HB2 ARG 70 HB3 ARG 70 7.432 -0.485 2.016 537 HB3 ARG 70 HB2 ARG 70 7.571 0.107 0.363 538 HG2 ARG 70 HG3 ARG 70 6.148 2.017 1.998 539 HG3 ARG 70 HG2 ARG 70 7.708 1.635 2.722 540 HD2 ARG 70 HD3 ARG 70 7.388 2.319 -0.204 541 HD3 ARG 70 HD2 ARG 70 7.719 3.539 1.024 542 HE ARG 70 HE ARG 70 9.609 1.512 0.050 543 HH11 ARG 70 HH22 ARG 70 8.701 3.786 2.475 544 HH12 ARG 70 HH21 ARG 70 10.310 3.977 3.087 545 HH21 ARG 70 HH11 ARG 70 11.716 1.748 0.834 546 HH22 ARG 70 HH12 ARG 70 12.017 2.822 2.158 547 H SER 71 H SER 71 4.615 1.566 2.688 548 HA SER 71 HA SER 71 4.371 -0.072 5.018 549 HB2 SER 71 HB3 SER 71 4.390 2.443 5.000 550 HB3 SER 71 HB2 SER 71 2.755 2.403 4.346 551 HG SER 71 HG SER 71 2.007 1.682 6.221 552 H ILE 72 H ILE 72 2.042 0.780 2.463 553 HA ILE 72 HA ILE 72 -0.239 -0.428 3.650 554 HB ILE 72 HB ILE 72 0.468 -0.103 0.721 555 HG12 ILE 72 HG13 ILE 72 -1.195 1.652 2.558 556 HG13 ILE 72 HG12 ILE 72 0.473 1.998 2.097 557 HG21 ILE 72 HG21 ILE 72 -1.747 -1.360 2.059 558 HG22 ILE 72 HG22 ILE 72 -1.453 -1.192 0.329 559 HG23 ILE 72 HG23 ILE 72 -2.312 0.074 1.204 560 HD11 ILE 72 HD11 ILE 72 -0.151 2.776 0.069 561 HD12 ILE 72 HD12 ILE 72 -1.800 2.784 0.695 562 HD13 ILE 72 HD13 ILE 72 -1.208 1.393 -0.216 563 H ASP 73 H ASP 73 2.073 -1.758 1.263 564 HA ASP 73 HA ASP 73 0.915 -4.348 1.101 565 HB2 ASP 73 HB3 ASP 73 2.800 -3.320 -0.329 566 HB3 ASP 73 HB2 ASP 73 3.887 -3.828 0.961 567 H ALA 74 H ALA 74 3.349 -3.018 3.304 568 HA ALA 74 HA ALA 74 3.901 -5.472 4.676 569 HB1 ALA 74 HB1 ALA 74 4.115 -3.000 6.262 570 HB2 ALA 74 HB2 ALA 74 4.950 -2.939 4.709 571 HB3 ALA 74 HB3 ALA 74 5.350 -4.200 5.875 572 H PHE 75 H PHE 75 1.506 -2.913 5.223 573 HA PHE 75 HA PHE 75 0.616 -3.820 7.775 574 HB2 PHE 75 HB3 PHE 75 -0.007 -1.631 6.747 575 HB3 PHE 75 HB2 PHE 75 -1.054 -2.503 5.631 576 HD1 PHE 75 HD2 PHE 75 -0.521 -1.556 9.158 577 HD2 PHE 75 HD1 PHE 75 -3.124 -3.530 6.368 578 HE1 PHE 75 HE2 PHE 75 -2.318 -1.603 10.867 579 HE2 PHE 75 HE1 PHE 75 -4.920 -3.578 8.077 580 HZ PHE 75 HZ PHE 75 -4.518 -2.614 10.326 581 H VAL 76 H VAL 76 -0.614 -4.597 4.501 582 HA VAL 76 HA VAL 76 -2.637 -6.403 5.408 583 HB VAL 76 HB VAL 76 -1.131 -6.255 2.783 584 HG11 VAL 76 HG11 VAL 76 -2.126 -8.220 2.331 585 HG12 VAL 76 HG12 VAL 76 -3.662 -7.354 2.381 586 HG13 VAL 76 HG13 VAL 76 -3.059 -8.165 3.825 587 HG21 VAL 76 HG21 VAL 76 -2.325 -4.248 2.973 588 HG22 VAL 76 HG22 VAL 76 -3.628 -4.997 3.896 589 HG23 VAL 76 HG23 VAL 76 -3.493 -5.290 2.162 590 H VAL 77 H VAL 77 0.695 -6.993 4.224 591 HA VAL 77 HA VAL 77 0.575 -9.836 4.679 592 HB VAL 77 HB VAL 77 2.885 -7.898 4.381 593 HG11 VAL 77 HG11 VAL 77 2.803 -10.722 5.162 594 HG12 VAL 77 HG12 VAL 77 4.130 -9.566 5.262 595 HG13 VAL 77 HG13 VAL 77 3.816 -10.418 3.751 596 HG21 VAL 77 HG21 VAL 77 2.917 -8.538 2.125 597 HG22 VAL 77 HG22 VAL 77 1.188 -8.493 2.470 598 HG23 VAL 77 HG23 VAL 77 2.041 -10.037 2.438 599 H GLY 78 H GLY 78 1.692 -7.070 6.563 600 HA2 GLY 78 HA3 GLY 78 2.909 -8.454 8.709 601 HA3 GLY 78 HA2 GLY 78 2.190 -6.854 8.834 602 H ALA 79 H ALA 79 -0.487 -7.687 8.091 603 HA ALA 79 HA ALA 79 -1.436 -8.449 10.701 604 HB1 ALA 79 HB1 ALA 79 -2.564 -7.504 8.225 605 HB2 ALA 79 HB2 ALA 79 -3.250 -7.441 9.849 606 HB3 ALA 79 HB3 ALA 79 -3.512 -8.860 8.834 607 H THR 80 H THR 80 -1.183 -10.241 7.629 608 HA THR 80 HA THR 80 -2.347 -12.638 8.839 609 HB THR 80 HB THR 80 -1.955 -13.679 6.681 610 HG1 THR 80 HG1 THR 80 -0.232 -13.090 5.669 611 HG21 THR 80 HG21 THR 80 -3.280 -11.118 6.993 612 HG22 THR 80 HG22 THR 80 -3.781 -12.523 6.053 613 HG23 THR 80 HG23 THR 80 -2.699 -11.327 5.342 614 H THR 81 H THR 81 0.843 -11.410 8.052 615 HA THR 81 HA THR 81 2.002 -13.664 9.601 616 HB THR 81 HB THR 81 3.978 -13.135 7.841 617 HG1 THR 81 HG1 THR 81 1.632 -12.187 6.785 618 HG21 THR 81 HG21 THR 81 3.035 -15.350 8.358 619 HG22 THR 81 HG22 THR 81 3.218 -15.137 6.616 620 HG23 THR 81 HG23 THR 81 1.627 -14.978 7.361 621 HA PRO 82 HA PRO 82 4.135 -10.695 12.074 622 HB2 PRO 82 HB2 PRO 82 6.689 -11.908 11.130 623 HB3 PRO 82 HB3 PRO 82 6.139 -11.594 12.785 624 HG2 PRO 82 HG3 PRO 82 6.125 -14.052 11.659 625 HG3 PRO 82 HG2 PRO 82 4.986 -13.544 12.914 626 HD2 PRO 82 HD3 PRO 82 4.475 -14.079 10.066 627 HD3 PRO 82 HD2 PRO 82 3.322 -13.944 11.411 628 HA PRO 83 HA PRO 83 5.112 -7.554 9.065 629 HB2 PRO 83 HB2 PRO 83 6.622 -5.876 10.709 630 HB3 PRO 83 HB3 PRO 83 4.865 -5.836 10.509 631 HG2 PRO 83 HG3 PRO 83 6.490 -6.948 12.699 632 HG3 PRO 83 HG2 PRO 83 4.844 -6.298 12.726 633 HD2 PRO 83 HD3 PRO 83 5.433 -8.984 12.855 634 HD3 PRO 83 HD2 PRO 83 3.894 -8.337 12.248 635 H VAL 84 H VAL 84 6.747 -7.119 7.639 636 HA VAL 84 HA VAL 84 9.404 -8.336 8.250 637 HB VAL 84 HB VAL 84 8.196 -9.166 6.227 638 HG11 VAL 84 HG11 VAL 84 7.228 -6.759 5.851 639 HG12 VAL 84 HG12 VAL 84 7.610 -7.759 4.449 640 HG13 VAL 84 HG13 VAL 84 8.725 -6.491 4.958 641 HG21 VAL 84 HG21 VAL 84 10.854 -8.522 6.494 642 HG22 VAL 84 HG22 VAL 84 10.433 -7.681 5.003 643 HG23 VAL 84 HG23 VAL 84 10.178 -9.420 5.136 644 H GLU 85 H GLU 85 11.135 -6.992 8.491 645 HA GLU 85 HA GLU 85 12.168 -4.888 8.884 646 HB2 GLU 85 HB3 GLU 85 11.402 -4.757 5.950 647 HB3 GLU 85 HB2 GLU 85 12.624 -3.747 6.725 648 HG2 GLU 85 HG3 GLU 85 13.872 -5.796 7.377 649 HG3 GLU 85 HG2 GLU 85 12.677 -6.772 6.521 650 H ALA 86 H ALA 86 9.425 -4.777 9.681 651 HA ALA 86 HA ALA 86 7.852 -2.746 8.574 652 HB1 ALA 86 HB1 ALA 86 7.520 -2.335 11.282 653 HB2 ALA 86 HB2 ALA 86 8.138 -3.985 11.224 654 HB3 ALA 86 HB3 ALA 86 6.676 -3.560 10.336 655 H LYS 87 H LYS 87 7.793 -0.482 8.789 656 HA LYS 87 HA LYS 87 10.261 0.900 8.959 657 HB2 LYS 87 HB3 LYS 87 7.443 1.938 9.389 658 HB3 LYS 87 HB2 LYS 87 8.861 2.958 9.144 659 HG2 LYS 87 HG3 LYS 87 9.249 1.818 6.952 660 HG3 LYS 87 HG2 LYS 87 7.744 0.926 7.189 661 HD2 LYS 87 HD3 LYS 87 6.538 3.112 7.378 662 HD3 LYS 87 HD2 LYS 87 8.046 3.936 6.982 663 HE2 LYS 87 HE3 LYS 87 6.684 1.876 5.220 664 HE3 LYS 87 HE2 LYS 87 6.600 3.621 4.980 665 HZ1 LYS 87 HZ1 LYS 87 9.266 3.093 5.247 666 HZ2 LYS 87 HZ2 LYS 87 8.447 3.398 3.794 667 HZ3 LYS 87 HZ3 LYS 87 8.692 1.798 4.309 668 H LEU 88 H LEU 88 7.852 0.161 11.437 669 HA LEU 88 HA LEU 88 9.388 1.700 13.450 670 HB2 LEU 88 HB3 LEU 88 6.865 0.050 13.795 671 HB3 LEU 88 HB2 LEU 88 7.540 1.193 14.957 672 HG LEU 88 HG LEU 88 6.478 1.859 12.197 673 HD11 LEU 88 HD11 LEU 88 5.507 2.709 14.940 674 HD12 LEU 88 HD12 LEU 88 4.793 1.393 14.008 675 HD13 LEU 88 HD13 LEU 88 4.734 3.044 13.392 676 HD21 LEU 88 HD21 LEU 88 8.194 3.417 12.485 677 HD22 LEU 88 HD22 LEU 88 8.034 3.417 14.241 678 HD23 LEU 88 HD23 LEU 88 6.840 4.251 13.247 679 H GLN 89 H GLN 89 10.545 0.712 15.115 680 HA GLN 89 HA GLN 89 11.573 -1.928 14.642 681 HB2 GLN 89 HB3 GLN 89 11.673 -0.189 17.126 682 HB3 GLN 89 HB2 GLN 89 12.619 -1.659 16.893 683 HG2 GLN 89 HG3 GLN 89 13.699 -0.678 14.920 684 HG3 GLN 89 HG2 GLN 89 12.726 0.783 15.097 685 HE21 GLN 89 HE22 GLN 89 15.574 0.922 15.201 686 HE22 GLN 89 HE21 GLN 89 16.040 1.331 16.782 Start of MODEL 10 1 H1 SER -1 H1 SER -1 7.520 -11.505 -4.362 2 H2 SER -1 H2 SER -1 7.008 -12.498 -3.082 3 H3 SER -1 H3 SER -1 8.282 -12.997 -4.091 4 HA SER -1 HA SER -1 9.698 -12.123 -2.648 5 HB2 SER -1 HB3 SER -1 9.497 -9.495 -2.491 6 HB3 SER -1 HB2 SER -1 9.984 -10.253 -4.005 7 HG SER -1 HG SER -1 8.325 -8.794 -4.404 8 H GLU 0 H GLU 0 9.877 -10.642 -0.577 9 HA GLU 0 HA GLU 0 8.023 -11.629 1.354 10 HB2 GLU 0 HB3 GLU 0 9.915 -9.261 1.494 11 HB3 GLU 0 HB2 GLU 0 9.075 -9.957 2.882 12 HG2 GLU 0 HG3 GLU 0 10.155 -12.145 2.411 13 HG3 GLU 0 HG2 GLU 0 11.039 -11.401 1.077 14 H MET 1 H MET 1 8.110 -8.643 -0.527 15 HA MET 1 HA MET 1 6.166 -7.152 0.902 16 HB2 MET 1 HB3 MET 1 6.680 -7.260 -2.084 17 HB3 MET 1 HB2 MET 1 5.756 -6.004 -1.260 18 HG2 MET 1 HG3 MET 1 8.669 -6.667 -0.749 19 HG3 MET 1 HG2 MET 1 8.077 -5.278 -1.656 20 HE1 MET 1 HE1 MET 1 6.399 -3.004 0.678 21 HE2 MET 1 HE2 MET 1 5.385 -4.415 0.348 22 HE3 MET 1 HE3 MET 1 6.429 -3.762 -0.912 23 H GLN 2 H GLN 2 5.828 -9.758 -1.441 24 HA GLN 2 HA GLN 2 3.974 -11.210 -1.700 25 HB2 GLN 2 HB3 GLN 2 3.307 -10.173 0.659 26 HB3 GLN 2 HB2 GLN 2 2.112 -9.318 -0.317 27 HG2 GLN 2 HG3 GLN 2 1.055 -11.343 0.377 28 HG3 GLN 2 HG2 GLN 2 1.494 -11.581 -1.315 29 HE21 GLN 2 HE22 GLN 2 2.121 -13.748 -1.479 30 HE22 GLN 2 HE21 GLN 2 3.218 -14.517 -0.437 31 H HIS 3 H HIS 3 4.560 -10.057 -3.850 32 HA HIS 3 HA HIS 3 3.770 -9.197 -5.876 33 HB2 HIS 3 HB3 HIS 3 1.020 -9.198 -4.615 34 HB3 HIS 3 HB2 HIS 3 1.431 -9.333 -6.322 35 HD1 HIS 3 HD1 HIS 3 3.030 -11.560 -6.854 36 HD2 HIS 3 HD2 HIS 3 0.639 -11.668 -3.436 37 HE1 HIS 3 HE1 HIS 3 2.828 -13.999 -6.194 38 HE2 HIS 3 HE2 HIS 3 1.378 -14.075 -4.116 39 H ALA 4 H ALA 4 4.839 -7.299 -4.172 40 HA ALA 4 HA ALA 4 3.125 -5.092 -3.574 41 HB1 ALA 4 HB1 ALA 4 5.053 -4.367 -2.676 42 HB2 ALA 4 HB2 ALA 4 5.686 -4.092 -4.298 43 HB3 ALA 4 HB3 ALA 4 5.938 -5.647 -3.508 44 H SER 5 H SER 5 4.953 -5.954 -6.488 45 HA SER 5 HA SER 5 4.525 -3.553 -7.945 46 HB2 SER 5 HB3 SER 5 4.702 -6.366 -9.055 47 HB3 SER 5 HB2 SER 5 5.010 -4.874 -9.938 48 HG SER 5 HG SER 5 6.483 -4.768 -7.775 49 H VAL 6 H VAL 6 2.475 -6.419 -7.554 50 HA VAL 6 HA VAL 6 0.550 -5.746 -9.547 51 HB VAL 6 HB VAL 6 0.309 -7.301 -6.974 52 HG11 VAL 6 HG11 VAL 6 -1.905 -6.501 -7.414 53 HG12 VAL 6 HG12 VAL 6 -1.847 -8.143 -8.056 54 HG13 VAL 6 HG13 VAL 6 -1.724 -6.765 -9.149 55 HG21 VAL 6 HG21 VAL 6 0.557 -8.028 -9.903 56 HG22 VAL 6 HG22 VAL 6 0.120 -9.195 -8.655 57 HG23 VAL 6 HG23 VAL 6 1.694 -8.401 -8.608 58 H ILE 7 H ILE 7 0.695 -4.951 -6.089 59 HA ILE 7 HA ILE 7 -1.772 -3.569 -5.932 60 HB ILE 7 HB ILE 7 0.801 -3.040 -4.424 61 HG12 ILE 7 HG13 ILE 7 -1.605 -4.713 -3.642 62 HG13 ILE 7 HG12 ILE 7 -0.132 -5.389 -4.338 63 HG21 ILE 7 HG21 ILE 7 -1.232 -2.423 -2.728 64 HG22 ILE 7 HG22 ILE 7 -1.945 -1.936 -4.267 65 HG23 ILE 7 HG23 ILE 7 -0.416 -1.233 -3.741 66 HD11 ILE 7 HD11 ILE 7 -0.425 -5.230 -1.711 67 HD12 ILE 7 HD12 ILE 7 0.111 -3.570 -1.974 68 HD13 ILE 7 HD13 ILE 7 1.140 -4.917 -2.460 69 H ALA 8 H ALA 8 1.501 -2.277 -6.557 70 HA ALA 8 HA ALA 8 0.676 0.431 -6.909 71 HB1 ALA 8 HB1 ALA 8 3.051 -0.552 -6.611 72 HB2 ALA 8 HB2 ALA 8 2.861 0.837 -7.680 73 HB3 ALA 8 HB3 ALA 8 3.019 -0.783 -8.359 74 H GLN 9 H GLN 9 1.138 -2.171 -9.328 75 HA GLN 9 HA GLN 9 0.547 -0.469 -11.571 76 HB2 GLN 9 HB3 GLN 9 0.394 -3.477 -11.270 77 HB3 GLN 9 HB2 GLN 9 0.239 -2.621 -12.804 78 HG2 GLN 9 HG3 GLN 9 2.484 -1.611 -12.438 79 HG3 GLN 9 HG2 GLN 9 2.642 -2.555 -10.957 80 HE21 GLN 9 HE22 GLN 9 3.127 -4.813 -11.152 81 HE22 GLN 9 HE21 GLN 9 3.444 -5.560 -12.644 82 H PHE 10 H PHE 10 -1.504 -2.770 -9.758 83 HA PHE 10 HA PHE 10 -3.825 -2.243 -11.384 84 HB2 PHE 10 HB3 PHE 10 -4.517 -4.067 -10.284 85 HB3 PHE 10 HB2 PHE 10 -3.158 -3.940 -9.173 86 HD1 PHE 10 HD1 PHE 10 -3.359 -2.512 -7.126 87 HD2 PHE 10 HD2 PHE 10 -6.720 -3.390 -9.641 88 HE1 PHE 10 HE1 PHE 10 -4.889 -1.852 -5.300 89 HE2 PHE 10 HE2 PHE 10 -8.260 -2.720 -7.816 90 HZ PHE 10 HZ PHE 10 -7.345 -1.951 -5.642 91 H VAL 11 H VAL 11 -2.843 -1.020 -8.172 92 HA VAL 11 HA VAL 11 -5.147 0.616 -7.779 93 HB VAL 11 HB VAL 11 -3.309 0.017 -6.082 94 HG11 VAL 11 HG11 VAL 11 -1.397 1.445 -5.951 95 HG12 VAL 11 HG12 VAL 11 -2.036 2.531 -7.186 96 HG13 VAL 11 HG13 VAL 11 -1.489 0.914 -7.628 97 HG21 VAL 11 HG21 VAL 11 -5.138 1.544 -5.536 98 HG22 VAL 11 HG22 VAL 11 -4.308 2.871 -6.347 99 HG23 VAL 11 HG23 VAL 11 -3.635 2.181 -4.871 100 H VAL 12 H VAL 12 -2.064 1.265 -9.423 101 HA VAL 12 HA VAL 12 -2.508 4.052 -9.877 102 HB VAL 12 HB VAL 12 -0.912 2.001 -11.411 103 HG11 VAL 12 HG11 VAL 12 -1.395 3.703 -13.009 104 HG12 VAL 12 HG12 VAL 12 0.200 4.104 -12.372 105 HG13 VAL 12 HG13 VAL 12 -1.221 4.981 -11.807 106 HG21 VAL 12 HG21 VAL 12 0.228 4.298 -9.870 107 HG22 VAL 12 HG22 VAL 12 0.894 2.686 -10.130 108 HG23 VAL 12 HG23 VAL 12 -0.406 2.925 -8.963 109 H GLU 13 H GLU 13 -3.329 1.188 -11.844 110 HA GLU 13 HA GLU 13 -4.394 2.654 -14.042 111 HB2 GLU 13 HB3 GLU 13 -4.972 -0.121 -13.018 112 HB3 GLU 13 HB2 GLU 13 -5.625 0.509 -14.523 113 HG2 GLU 13 HG3 GLU 13 -3.332 0.943 -15.333 114 HG3 GLU 13 HG2 GLU 13 -2.694 0.264 -13.840 115 H GLU 14 H GLU 14 -5.899 1.464 -11.056 116 HA GLU 14 HA GLU 14 -8.580 2.216 -11.820 117 HB2 GLU 14 HB3 GLU 14 -8.049 0.576 -10.014 118 HB3 GLU 14 HB2 GLU 14 -7.434 1.905 -9.030 119 HG2 GLU 14 HG3 GLU 14 -9.662 3.011 -9.185 120 HG3 GLU 14 HG2 GLU 14 -10.265 1.616 -10.079 121 H PHE 15 H PHE 15 -6.038 3.838 -9.932 122 HA PHE 15 HA PHE 15 -7.735 6.191 -9.508 123 HB2 PHE 15 HB3 PHE 15 -6.066 5.440 -7.815 124 HB3 PHE 15 HB2 PHE 15 -4.778 5.824 -8.956 125 HD1 PHE 15 HD1 PHE 15 -7.656 7.302 -7.098 126 HD2 PHE 15 HD2 PHE 15 -3.989 8.041 -9.207 127 HE1 PHE 15 HE1 PHE 15 -7.716 9.674 -6.372 128 HE2 PHE 15 HE2 PHE 15 -4.050 10.413 -8.485 129 HZ PHE 15 HZ PHE 15 -5.913 11.229 -7.067 130 H LEU 16 H LEU 16 -4.678 5.577 -11.279 131 HA LEU 16 HA LEU 16 -5.366 7.924 -13.000 132 HB2 LEU 16 HB3 LEU 16 -2.857 7.122 -11.636 133 HB3 LEU 16 HB2 LEU 16 -2.699 7.772 -13.265 134 HG LEU 16 HG LEU 16 -4.371 9.143 -11.164 135 HD11 LEU 16 HD11 LEU 16 -2.380 9.423 -10.066 136 HD12 LEU 16 HD12 LEU 16 -2.132 10.667 -11.290 137 HD13 LEU 16 HD13 LEU 16 -1.422 9.066 -11.502 138 HD21 LEU 16 HD21 LEU 16 -2.992 10.756 -13.164 139 HD22 LEU 16 HD22 LEU 16 -4.712 10.685 -12.782 140 HD23 LEU 16 HD23 LEU 16 -4.011 9.527 -13.912 141 HA PRO 17 HA PRO 17 -5.032 4.095 -15.643 142 HB2 PRO 17 HB2 PRO 17 -7.059 4.856 -17.363 143 HB3 PRO 17 HB3 PRO 17 -7.274 3.826 -15.939 144 HG2 PRO 17 HG3 PRO 17 -7.906 6.684 -16.314 145 HG3 PRO 17 HG2 PRO 17 -8.691 5.473 -15.292 146 HD2 PRO 17 HD3 PRO 17 -6.997 7.429 -14.354 147 HD3 PRO 17 HD2 PRO 17 -7.310 5.901 -13.514 148 H ASP 18 H ASP 18 -4.838 7.489 -16.218 149 HA ASP 18 HA ASP 18 -3.884 7.103 -18.989 150 HB2 ASP 18 HB3 ASP 18 -4.400 9.566 -17.324 151 HB3 ASP 18 HB2 ASP 18 -3.764 9.613 -18.962 152 H VAL 19 H VAL 19 -2.476 6.657 -16.107 153 HA VAL 19 HA VAL 19 0.111 7.894 -16.984 154 HB VAL 19 HB VAL 19 -0.693 7.199 -14.149 155 HG11 VAL 19 HG11 VAL 19 1.279 8.413 -13.520 156 HG12 VAL 19 HG12 VAL 19 1.520 8.994 -15.168 157 HG13 VAL 19 HG13 VAL 19 1.762 7.288 -14.789 158 HG21 VAL 19 HG21 VAL 19 -0.631 9.918 -15.495 159 HG22 VAL 19 HG22 VAL 19 -1.080 9.586 -13.822 160 HG23 VAL 19 HG23 VAL 19 -2.105 9.018 -15.140 161 H ALA 20 H ALA 20 1.840 6.522 -17.197 162 HA ALA 20 HA ALA 20 1.350 3.656 -17.083 163 HB1 ALA 20 HB1 ALA 20 3.332 3.442 -18.243 164 HB2 ALA 20 HB2 ALA 20 4.111 4.754 -17.358 165 HB3 ALA 20 HB3 ALA 20 2.951 5.119 -18.635 166 HA PRO 21 HA PRO 21 2.378 3.477 -12.652 167 HB2 PRO 21 HB2 PRO 21 2.913 0.625 -13.310 168 HB3 PRO 21 HB3 PRO 21 1.891 1.317 -12.038 169 HG2 PRO 21 HG3 PRO 21 0.880 0.202 -14.259 170 HG3 PRO 21 HG2 PRO 21 0.094 1.545 -13.414 171 HD2 PRO 21 HD3 PRO 21 1.535 1.554 -16.009 172 HD3 PRO 21 HD2 PRO 21 0.271 2.649 -15.406 173 H ALA 22 H ALA 22 4.380 2.289 -15.279 174 HA ALA 22 HA ALA 22 6.727 1.693 -13.748 175 HB1 ALA 22 HB1 ALA 22 6.165 1.187 -16.254 176 HB2 ALA 22 HB2 ALA 22 7.838 1.515 -15.802 177 HB3 ALA 22 HB3 ALA 22 6.862 2.780 -16.549 178 H ASP 23 H ASP 23 5.356 4.699 -14.906 179 HA ASP 23 HA ASP 23 7.836 6.183 -14.345 180 HB2 ASP 23 HB3 ASP 23 6.602 8.148 -15.094 181 HB3 ASP 23 HB2 ASP 23 6.349 6.832 -16.239 182 H VAL 24 H VAL 24 5.720 4.801 -12.348 183 HA VAL 24 HA VAL 24 5.590 7.138 -10.476 184 HB VAL 24 HB VAL 24 4.071 4.531 -10.256 185 HG11 VAL 24 HG11 VAL 24 4.157 5.695 -8.169 186 HG12 VAL 24 HG12 VAL 24 2.574 6.053 -8.860 187 HG13 VAL 24 HG13 VAL 24 3.865 7.250 -8.947 188 HG21 VAL 24 HG21 VAL 24 3.336 5.515 -12.319 189 HG22 VAL 24 HG22 VAL 24 3.336 7.134 -11.623 190 HG23 VAL 24 HG23 VAL 24 2.129 5.955 -11.112 191 H ASP 25 H ASP 25 6.805 7.030 -8.623 192 HA ASP 25 HA ASP 25 8.437 4.603 -8.210 193 HB2 ASP 25 HB3 ASP 25 9.438 6.905 -8.071 194 HB3 ASP 25 HB2 ASP 25 8.438 7.204 -6.648 195 H VAL 26 H VAL 26 7.662 3.023 -6.889 196 HA VAL 26 HA VAL 26 5.372 3.473 -5.166 197 HB VAL 26 HB VAL 26 5.563 1.301 -6.129 198 HG11 VAL 26 HG11 VAL 26 7.892 0.144 -5.098 199 HG12 VAL 26 HG12 VAL 26 8.394 1.753 -5.618 200 HG13 VAL 26 HG13 VAL 26 7.628 0.655 -6.766 201 HG21 VAL 26 HG21 VAL 26 5.097 1.530 -3.560 202 HG22 VAL 26 HG22 VAL 26 6.679 0.770 -3.390 203 HG23 VAL 26 HG23 VAL 26 5.384 -0.070 -4.242 204 H ASP 27 H ASP 27 8.438 4.492 -4.826 205 HA ASP 27 HA ASP 27 8.689 3.825 -1.946 206 HB2 ASP 27 HB3 ASP 27 10.562 5.171 -3.913 207 HB3 ASP 27 HB2 ASP 27 10.918 4.966 -2.202 208 H LEU 28 H LEU 28 7.081 6.043 -3.716 209 HA LEU 28 HA LEU 28 7.772 8.368 -1.999 210 HB2 LEU 28 HB3 LEU 28 7.560 8.692 -4.463 211 HB3 LEU 28 HB2 LEU 28 5.873 8.200 -4.358 212 HG LEU 28 HG LEU 28 5.512 10.064 -2.697 213 HD11 LEU 28 HD11 LEU 28 7.590 10.641 -1.822 214 HD12 LEU 28 HD12 LEU 28 7.384 11.899 -3.039 215 HD13 LEU 28 HD13 LEU 28 8.402 10.501 -3.381 216 HD21 LEU 28 HD21 LEU 28 5.467 11.827 -4.411 217 HD22 LEU 28 HD22 LEU 28 4.942 10.291 -5.102 218 HD23 LEU 28 HD23 LEU 28 6.570 10.891 -5.419 219 H ASP 29 H ASP 29 6.402 9.059 -0.393 220 HA ASP 29 HA ASP 29 4.301 7.327 0.499 221 HB2 ASP 29 HB3 ASP 29 4.906 10.210 1.232 222 HB3 ASP 29 HB2 ASP 29 3.783 9.163 2.102 223 H LEU 30 H LEU 30 2.064 7.503 0.251 224 HA LEU 30 HA LEU 30 1.100 8.824 -2.126 225 HB2 LEU 30 HB3 LEU 30 -0.409 7.534 0.162 226 HB3 LEU 30 HB2 LEU 30 -1.121 8.015 -1.378 227 HG LEU 30 HG LEU 30 1.113 5.998 -1.028 228 HD11 LEU 30 HD11 LEU 30 -0.567 4.545 -0.628 229 HD12 LEU 30 HD12 LEU 30 -1.161 4.868 -2.257 230 HD13 LEU 30 HD13 LEU 30 -1.775 5.801 -0.892 231 HD21 LEU 30 HD21 LEU 30 -0.127 7.361 -3.370 232 HD22 LEU 30 HD22 LEU 30 0.174 5.633 -3.536 233 HD23 LEU 30 HD23 LEU 30 1.507 6.729 -3.176 234 H VAL 31 H VAL 31 0.986 9.602 1.311 235 HA VAL 31 HA VAL 31 -1.004 11.571 1.325 236 HB VAL 31 HB VAL 31 0.155 12.488 3.265 237 HG11 VAL 31 HG11 VAL 31 -0.333 9.652 2.832 238 HG12 VAL 31 HG12 VAL 31 -0.716 10.647 4.238 239 HG13 VAL 31 HG13 VAL 31 0.885 9.922 4.080 240 HG21 VAL 31 HG21 VAL 31 2.411 12.661 2.642 241 HG22 VAL 31 HG22 VAL 31 2.465 11.000 2.055 242 HG23 VAL 31 HG23 VAL 31 2.430 11.321 3.789 243 H ASP 32 H ASP 32 2.466 12.003 0.600 244 HA ASP 32 HA ASP 32 2.324 14.806 0.086 245 HB2 ASP 32 HB3 ASP 32 4.177 12.684 -1.042 246 HB3 ASP 32 HB2 ASP 32 4.413 14.419 -1.259 247 H ASN 33 H ASN 33 1.694 11.978 -1.898 248 HA ASN 33 HA ASN 33 1.430 13.391 -4.395 249 HB2 ASN 33 HB3 ASN 33 0.406 10.712 -3.454 250 HB3 ASN 33 HB2 ASN 33 0.263 11.282 -5.109 251 HD21 ASN 33 HD22 ASN 33 1.795 8.951 -4.510 252 HD22 ASN 33 HD21 ASN 33 3.434 9.292 -4.788 253 H GLY 34 H GLY 34 -0.813 12.546 -1.802 254 HA2 GLY 34 HA3 GLY 34 -2.873 13.659 -1.330 255 HA3 GLY 34 HA2 GLY 34 -2.753 14.483 -2.888 256 H VAL 35 H VAL 35 -2.097 11.252 -3.340 257 HA VAL 35 HA VAL 35 -4.434 10.756 -4.893 258 HB VAL 35 HB VAL 35 -2.471 8.834 -3.610 259 HG11 VAL 35 HG11 VAL 35 -3.372 7.291 -5.455 260 HG12 VAL 35 HG12 VAL 35 -4.732 8.409 -5.572 261 HG13 VAL 35 HG13 VAL 35 -4.424 7.549 -4.062 262 HG21 VAL 35 HG21 VAL 35 -1.967 10.648 -5.549 263 HG22 VAL 35 HG22 VAL 35 -2.598 9.335 -6.541 264 HG23 VAL 35 HG23 VAL 35 -1.195 9.063 -5.507 265 H ILE 36 H ILE 36 -3.653 10.135 -1.514 266 HA ILE 36 HA ILE 36 -5.901 8.449 -0.949 267 HB ILE 36 HB ILE 36 -4.296 10.273 0.862 268 HG12 ILE 36 HG13 ILE 36 -4.172 7.278 0.429 269 HG13 ILE 36 HG12 ILE 36 -3.072 8.437 -0.304 270 HG21 ILE 36 HG21 ILE 36 -5.869 9.804 2.409 271 HG22 ILE 36 HG22 ILE 36 -5.348 8.123 2.306 272 HG23 ILE 36 HG23 ILE 36 -6.692 8.690 1.318 273 HD11 ILE 36 HD11 ILE 36 -2.089 7.494 1.745 274 HD12 ILE 36 HD12 ILE 36 -3.489 8.046 2.665 275 HD13 ILE 36 HD13 ILE 36 -2.395 9.220 1.935 276 H ASP 37 H ASP 37 -7.798 9.338 -1.758 277 HA ASP 37 HA ASP 37 -8.630 11.995 -0.720 278 HB2 ASP 37 HB3 ASP 37 -9.715 10.239 -2.945 279 HB3 ASP 37 HB2 ASP 37 -10.463 11.746 -2.425 280 H ALA 38 H ALA 38 -11.066 12.013 -0.105 281 HA ALA 38 HA ALA 38 -11.528 10.227 2.046 282 HB1 ALA 38 HB1 ALA 38 -13.046 11.910 2.293 283 HB2 ALA 38 HB2 ALA 38 -14.077 10.921 1.259 284 HB3 ALA 38 HB3 ALA 38 -13.113 12.221 0.557 285 H LEU 39 H LEU 39 -12.777 10.183 -1.276 286 HA LEU 39 HA LEU 39 -14.048 7.593 -0.993 287 HB2 LEU 39 HB3 LEU 39 -13.228 9.208 -3.417 288 HB3 LEU 39 HB2 LEU 39 -14.101 7.684 -3.516 289 HG LEU 39 HG LEU 39 -15.861 8.696 -2.030 290 HD11 LEU 39 HD11 LEU 39 -14.037 11.056 -2.373 291 HD12 LEU 39 HD12 LEU 39 -14.877 10.499 -0.925 292 HD13 LEU 39 HD13 LEU 39 -15.772 11.320 -2.203 293 HD21 LEU 39 HD21 LEU 39 -16.547 8.673 -4.246 294 HD22 LEU 39 HD22 LEU 39 -15.197 9.675 -4.780 295 HD23 LEU 39 HD23 LEU 39 -16.560 10.408 -3.935 296 H GLY 40 H GLY 40 -10.934 8.860 -1.912 297 HA2 GLY 40 HA3 GLY 40 -9.785 6.564 -3.101 298 HA3 GLY 40 HA2 GLY 40 -8.881 7.818 -2.249 299 H LEU 41 H LEU 41 -9.816 7.608 0.311 300 HA LEU 41 HA LEU 41 -8.416 5.341 1.331 301 HB2 LEU 41 HB3 LEU 41 -8.830 7.477 2.572 302 HB3 LEU 41 HB2 LEU 41 -10.525 7.017 2.720 303 HG LEU 41 HG LEU 41 -8.589 4.948 3.572 304 HD11 LEU 41 HD11 LEU 41 -8.485 6.241 5.847 305 HD12 LEU 41 HD12 LEU 41 -8.781 7.665 4.850 306 HD13 LEU 41 HD13 LEU 41 -7.351 6.673 4.567 307 HD21 LEU 41 HD21 LEU 41 -11.020 4.694 3.842 308 HD22 LEU 41 HD22 LEU 41 -11.087 6.190 4.772 309 HD23 LEU 41 HD23 LEU 41 -10.247 4.784 5.424 310 H LEU 42 H LEU 42 -11.865 5.980 0.785 311 HA LEU 42 HA LEU 42 -12.893 3.622 2.003 312 HB2 LEU 42 HB3 LEU 42 -14.315 5.495 1.235 313 HB3 LEU 42 HB2 LEU 42 -13.914 5.111 -0.438 314 HG LEU 42 HG LEU 42 -14.783 2.684 0.419 315 HD11 LEU 42 HD11 LEU 42 -16.669 4.619 1.752 316 HD12 LEU 42 HD12 LEU 42 -15.344 3.874 2.644 317 HD13 LEU 42 HD13 LEU 42 -16.597 2.865 1.919 318 HD21 LEU 42 HD21 LEU 42 -15.638 3.561 -1.584 319 HD22 LEU 42 HD22 LEU 42 -16.216 5.032 -0.801 320 HD23 LEU 42 HD23 LEU 42 -17.058 3.504 -0.538 321 H LYS 43 H LYS 43 -11.862 4.225 -1.342 322 HA LYS 43 HA LYS 43 -12.415 1.625 -2.338 323 HB2 LYS 43 HB3 LYS 43 -10.347 3.659 -3.185 324 HB3 LYS 43 HB2 LYS 43 -10.720 2.203 -4.098 325 HG2 LYS 43 HG3 LYS 43 -13.103 2.938 -4.222 326 HG3 LYS 43 HG2 LYS 43 -12.644 4.442 -3.423 327 HD2 LYS 43 HD3 LYS 43 -11.022 4.886 -5.267 328 HD3 LYS 43 HD2 LYS 43 -11.600 3.434 -6.086 329 HE2 LYS 43 HE3 LYS 43 -12.772 5.337 -7.021 330 HE3 LYS 43 HE2 LYS 43 -13.916 4.416 -6.045 331 HZ1 LYS 43 HZ1 LYS 43 -13.014 7.092 -5.712 332 HZ2 LYS 43 HZ2 LYS 43 -12.732 6.183 -4.308 333 HZ3 LYS 43 HZ3 LYS 43 -14.302 6.288 -4.950 334 H VAL 44 H VAL 44 -9.633 2.942 -0.620 335 HA VAL 44 HA VAL 44 -7.812 0.810 -1.064 336 HB VAL 44 HB VAL 44 -8.122 2.675 1.295 337 HG11 VAL 44 HG11 VAL 44 -6.082 0.554 0.642 338 HG12 VAL 44 HG12 VAL 44 -6.876 0.885 2.183 339 HG13 VAL 44 HG13 VAL 44 -5.627 1.976 1.581 340 HG21 VAL 44 HG21 VAL 44 -5.944 2.720 -0.780 341 HG22 VAL 44 HG22 VAL 44 -6.557 4.042 0.214 342 HG23 VAL 44 HG23 VAL 44 -7.511 3.444 -1.144 343 H ILE 45 H ILE 45 -10.168 1.295 1.560 344 HA ILE 45 HA ILE 45 -9.550 -1.165 2.900 345 HB ILE 45 HB ILE 45 -11.762 0.838 3.005 346 HG12 ILE 45 HG13 ILE 45 -11.074 0.818 5.410 347 HG13 ILE 45 HG12 ILE 45 -9.869 -0.409 5.024 348 HG21 ILE 45 HG21 ILE 45 -11.863 -1.986 4.056 349 HG22 ILE 45 HG22 ILE 45 -13.100 -1.098 3.166 350 HG23 ILE 45 HG23 ILE 45 -12.752 -0.682 4.844 351 HD11 ILE 45 HD11 ILE 45 -9.427 2.308 4.940 352 HD12 ILE 45 HD12 ILE 45 -9.773 1.935 3.253 353 HD13 ILE 45 HD13 ILE 45 -8.462 1.103 4.087 354 H ALA 46 H ALA 46 -11.920 -0.366 0.369 355 HA ALA 46 HA ALA 46 -13.370 -2.832 0.542 356 HB1 ALA 46 HB1 ALA 46 -13.895 -2.182 -1.957 357 HB2 ALA 46 HB2 ALA 46 -13.093 -0.675 -1.514 358 HB3 ALA 46 HB3 ALA 46 -14.526 -1.204 -0.632 359 H TRP 47 H TRP 47 -10.742 -1.880 -1.732 360 HA TRP 47 HA TRP 47 -10.717 -4.564 -2.880 361 HB2 TRP 47 HB3 TRP 47 -9.713 -3.427 -4.535 362 HB3 TRP 47 HB2 TRP 47 -9.544 -2.011 -3.497 363 HD1 TRP 47 HD1 TRP 47 -7.766 -5.424 -3.959 364 HE1 TRP 47 HE1 TRP 47 -5.241 -5.060 -3.568 365 HE3 TRP 47 HE3 TRP 47 -7.781 -0.477 -2.843 366 HZ2 TRP 47 HZ2 TRP 47 -3.462 -2.921 -2.871 367 HZ3 TRP 47 HZ3 TRP 47 -5.672 0.722 -2.317 368 HH2 TRP 47 HH2 TRP 47 -3.511 -0.495 -2.332 369 H LEU 48 H LEU 48 -8.634 -2.767 -0.630 370 HA LEU 48 HA LEU 48 -6.617 -4.735 -0.358 371 HB2 LEU 48 HB3 LEU 48 -6.413 -2.441 0.526 372 HB3 LEU 48 HB2 LEU 48 -7.649 -2.795 1.730 373 HG LEU 48 HG LEU 48 -5.405 -4.717 1.640 374 HD11 LEU 48 HD11 LEU 48 -4.127 -2.979 3.153 375 HD12 LEU 48 HD12 LEU 48 -5.041 -1.792 2.224 376 HD13 LEU 48 HD13 LEU 48 -3.951 -2.907 1.401 377 HD21 LEU 48 HD21 LEU 48 -5.856 -4.888 3.918 378 HD22 LEU 48 HD22 LEU 48 -7.434 -4.374 3.329 379 HD23 LEU 48 HD23 LEU 48 -6.338 -3.198 4.053 380 H GLU 49 H GLU 49 -9.679 -4.350 1.433 381 HA GLU 49 HA GLU 49 -9.143 -6.575 3.200 382 HB2 GLU 49 HB3 GLU 49 -11.324 -6.197 4.026 383 HB3 GLU 49 HB2 GLU 49 -10.764 -4.606 3.544 384 HG2 GLU 49 HG3 GLU 49 -11.901 -4.959 1.342 385 HG3 GLU 49 HG2 GLU 49 -12.584 -6.437 1.994 386 H ASP 50 H ASP 50 -10.839 -6.198 0.121 387 HA ASP 50 HA ASP 50 -12.087 -8.746 0.031 388 HB2 ASP 50 HB3 ASP 50 -12.500 -6.827 -1.528 389 HB3 ASP 50 HB2 ASP 50 -10.967 -7.208 -2.310 390 H ARG 51 H ARG 51 -8.816 -7.778 -0.974 391 HA ARG 51 HA ARG 51 -8.132 -10.214 -2.262 392 HB2 ARG 51 HB3 ARG 51 -6.456 -8.102 -0.933 393 HB3 ARG 51 HB2 ARG 51 -5.755 -9.476 -1.781 394 HG2 ARG 51 HG3 ARG 51 -7.065 -8.852 -3.806 395 HG3 ARG 51 HG2 ARG 51 -7.649 -7.428 -2.950 396 HD2 ARG 51 HD3 ARG 51 -5.312 -6.654 -2.665 397 HD3 ARG 51 HD2 ARG 51 -4.749 -8.063 -3.561 398 HE ARG 51 HE ARG 51 -5.982 -5.681 -4.715 399 HH11 ARG 51 HH22 ARG 51 -5.343 -9.055 -5.000 400 HH12 ARG 51 HH21 ARG 51 -5.465 -9.068 -6.727 401 HH21 ARG 51 HH11 ARG 51 -6.144 -5.676 -6.969 402 HH22 ARG 51 HH12 ARG 51 -5.919 -7.155 -7.843 403 H PHE 52 H PHE 52 -7.780 -9.325 1.195 404 HA PHE 52 HA PHE 52 -6.612 -12.015 1.647 405 HB2 PHE 52 HB3 PHE 52 -6.829 -9.554 3.394 406 HB3 PHE 52 HB2 PHE 52 -6.211 -11.102 3.965 407 HD1 PHE 52 HD2 PHE 52 -5.652 -8.325 1.584 408 HD2 PHE 52 HD1 PHE 52 -4.057 -11.940 3.269 409 HE1 PHE 52 HE2 PHE 52 -3.446 -7.828 0.563 410 HE2 PHE 52 HE1 PHE 52 -1.853 -11.444 2.245 411 HZ PHE 52 HZ PHE 52 -1.547 -9.389 0.892 412 H GLY 53 H GLY 53 -9.642 -10.549 1.706 413 HA2 GLY 53 HA3 GLY 53 -11.709 -11.405 2.421 414 HA3 GLY 53 HA2 GLY 53 -10.862 -12.891 2.866 415 H ILE 54 H ILE 54 -9.901 -9.747 4.069 416 HA ILE 54 HA ILE 54 -10.668 -10.673 6.794 417 HB ILE 54 HB ILE 54 -8.961 -9.075 7.590 418 HG12 ILE 54 HG13 ILE 54 -8.536 -8.577 4.628 419 HG13 ILE 54 HG12 ILE 54 -9.202 -7.419 5.780 420 HG21 ILE 54 HG21 ILE 54 -8.299 -11.388 7.047 421 HG22 ILE 54 HG22 ILE 54 -6.993 -10.262 6.681 422 HG23 ILE 54 HG23 ILE 54 -7.990 -10.909 5.379 423 HD11 ILE 54 HD11 ILE 54 -7.091 -7.502 7.070 424 HD12 ILE 54 HD12 ILE 54 -6.811 -6.982 5.408 425 HD13 ILE 54 HD13 ILE 54 -6.425 -8.634 5.892 426 H ALA 55 H ALA 55 -11.672 -9.129 8.242 427 HA ALA 55 HA ALA 55 -13.279 -7.112 6.764 428 HB1 ALA 55 HB1 ALA 55 -14.943 -7.791 8.117 429 HB2 ALA 55 HB2 ALA 55 -14.009 -7.303 9.530 430 HB3 ALA 55 HB3 ALA 55 -13.840 -8.934 8.881 431 H ALA 56 H ALA 56 -13.003 -4.945 7.107 432 HA ALA 56 HA ALA 56 -10.670 -3.991 8.479 433 HB1 ALA 56 HB1 ALA 56 -11.157 -2.225 7.172 434 HB2 ALA 56 HB2 ALA 56 -12.521 -1.857 8.226 435 HB3 ALA 56 HB3 ALA 56 -12.750 -2.894 6.818 436 H ASP 57 H ASP 57 -14.019 -4.413 9.448 437 HA ASP 57 HA ASP 57 -14.075 -2.768 11.741 438 HB2 ASP 57 HB3 ASP 57 -15.424 -5.410 11.185 439 HB3 ASP 57 HB2 ASP 57 -15.807 -4.391 12.568 440 H ASP 58 H ASP 58 -12.727 -6.000 11.290 441 HA ASP 58 HA ASP 58 -12.352 -6.746 13.975 442 HB2 ASP 58 HB3 ASP 58 -10.609 -7.258 11.566 443 HB3 ASP 58 HB2 ASP 58 -10.382 -8.056 13.121 444 H VAL 59 H VAL 59 -10.329 -4.631 11.958 445 HA VAL 59 HA VAL 59 -8.890 -3.823 14.446 446 HB VAL 59 HB VAL 59 -6.884 -3.518 13.023 447 HG11 VAL 59 HG11 VAL 59 -8.183 -6.245 13.089 448 HG12 VAL 59 HG12 VAL 59 -6.999 -5.590 14.219 449 HG13 VAL 59 HG13 VAL 59 -6.515 -6.001 12.574 450 HG21 VAL 59 HG21 VAL 59 -7.258 -3.341 10.801 451 HG22 VAL 59 HG22 VAL 59 -8.857 -4.072 10.949 452 HG23 VAL 59 HG23 VAL 59 -7.430 -5.096 10.795 453 H GLU 60 H GLU 60 -8.131 -1.575 14.407 454 HA GLU 60 HA GLU 60 -9.920 0.132 12.761 455 HB2 GLU 60 HB3 GLU 60 -9.792 0.484 15.240 456 HB3 GLU 60 HB2 GLU 60 -8.099 0.924 15.051 457 HG2 GLU 60 HG3 GLU 60 -8.784 2.729 13.487 458 HG3 GLU 60 HG2 GLU 60 -10.467 2.325 13.804 459 H LEU 61 H LEU 61 -9.112 1.257 11.041 460 HA LEU 61 HA LEU 61 -6.176 1.201 10.624 461 HB2 LEU 61 HB3 LEU 61 -8.399 1.891 8.682 462 HB3 LEU 61 HB2 LEU 61 -6.705 1.642 8.289 463 HG LEU 61 HG LEU 61 -8.594 -0.430 9.408 464 HD11 LEU 61 HD11 LEU 61 -7.175 -0.951 6.894 465 HD12 LEU 61 HD12 LEU 61 -8.270 0.427 6.800 466 HD13 LEU 61 HD13 LEU 61 -8.883 -1.154 7.280 467 HD21 LEU 61 HD21 LEU 61 -5.621 -0.361 8.996 468 HD22 LEU 61 HD22 LEU 61 -6.484 -1.884 8.773 469 HD23 LEU 61 HD23 LEU 61 -6.544 -1.055 10.330 470 H SER 62 H SER 62 -5.005 3.092 10.590 471 HA SER 62 HA SER 62 -6.529 5.625 10.977 472 HB2 SER 62 HB3 SER 62 -5.168 5.835 12.772 473 HB3 SER 62 HB2 SER 62 -4.158 4.493 12.245 474 HG SER 62 HG SER 62 -3.048 6.517 12.267 475 HA PRO 63 HA PRO 63 -5.124 7.209 7.122 476 HB2 PRO 63 HB2 PRO 63 -4.165 9.718 7.930 477 HB3 PRO 63 HB3 PRO 63 -5.843 9.339 7.505 478 HG2 PRO 63 HG3 PRO 63 -4.575 9.595 10.170 479 HG3 PRO 63 HG2 PRO 63 -6.224 9.987 9.655 480 HD2 PRO 63 HD3 PRO 63 -5.658 7.767 11.113 481 HD3 PRO 63 HD2 PRO 63 -6.970 7.802 9.913 482 H GLU 64 H GLU 64 -2.935 7.206 9.845 483 HA GLU 64 HA GLU 64 -0.537 7.887 8.404 484 HB2 GLU 64 HB3 GLU 64 -0.915 6.312 10.957 485 HB3 GLU 64 HB2 GLU 64 0.612 6.958 10.384 486 HG2 GLU 64 HG3 GLU 64 -0.368 9.237 10.443 487 HG3 GLU 64 HG2 GLU 64 -1.842 8.552 11.121 488 H HIS 65 H HIS 65 -2.347 4.941 8.920 489 HA HIS 65 HA HIS 65 -0.280 3.117 8.147 490 HB2 HIS 65 HB3 HIS 65 -2.137 2.133 9.217 491 HB3 HIS 65 HB2 HIS 65 -3.289 2.970 8.177 492 HD1 HIS 65 HD1 HIS 65 -4.408 1.052 6.979 493 HD2 HIS 65 HD2 HIS 65 -0.248 0.757 6.885 494 HE1 HIS 65 HE1 HIS 65 -3.859 -0.870 5.420 495 HE2 HIS 65 HE2 HIS 65 -1.332 -1.052 5.352 496 H PHE 66 H PHE 66 -2.169 5.364 6.401 497 HA PHE 66 HA PHE 66 -1.743 3.995 3.819 498 HB2 PHE 66 HB3 PHE 66 -3.055 6.663 4.420 499 HB3 PHE 66 HB2 PHE 66 -3.109 5.800 2.882 500 HD1 PHE 66 HD2 PHE 66 -3.929 5.369 6.509 501 HD2 PHE 66 HD1 PHE 66 -4.844 4.277 2.458 502 HE1 PHE 66 HE2 PHE 66 -5.901 4.089 7.302 503 HE2 PHE 66 HE1 PHE 66 -6.815 2.996 3.251 504 HZ PHE 66 HZ PHE 66 -7.343 2.907 5.673 505 H ARG 67 H ARG 67 0.268 5.407 5.718 506 HA ARG 67 HA ARG 67 1.360 7.717 4.646 507 HB2 ARG 67 HB3 ARG 67 3.503 6.922 5.565 508 HB3 ARG 67 HB2 ARG 67 2.182 6.582 6.675 509 HG2 ARG 67 HG3 ARG 67 2.167 4.324 5.145 510 HG3 ARG 67 HG2 ARG 67 3.884 4.716 5.151 511 HD2 ARG 67 HD3 ARG 67 3.561 5.031 7.717 512 HD3 ARG 67 HD2 ARG 67 2.080 4.109 7.479 513 HE ARG 67 HE ARG 67 4.345 2.775 6.274 514 HH11 ARG 67 HH22 ARG 67 2.708 3.493 9.221 515 HH12 ARG 67 HH21 ARG 67 3.226 2.046 10.019 516 HH21 ARG 67 HH11 ARG 67 5.024 0.873 7.297 517 HH22 ARG 67 HH12 ARG 67 4.538 0.564 8.930 518 H SER 68 H SER 68 1.792 4.386 3.418 519 HA SER 68 HA SER 68 2.543 5.501 0.809 520 HB2 SER 68 HB3 SER 68 4.693 5.515 2.063 521 HB3 SER 68 HB2 SER 68 4.527 3.782 2.327 522 HG SER 68 HG SER 68 5.795 4.586 0.424 523 H ILE 69 H ILE 69 2.410 3.932 -0.877 524 HA ILE 69 HA ILE 69 0.543 1.831 -0.519 525 HB ILE 69 HB ILE 69 2.544 1.472 -2.677 526 HG12 ILE 69 HG13 ILE 69 1.281 3.477 -3.847 527 HG13 ILE 69 HG12 ILE 69 1.088 4.038 -2.191 528 HG21 ILE 69 HG21 ILE 69 0.665 0.906 -3.928 529 HG22 ILE 69 HG22 ILE 69 -0.391 1.981 -3.010 530 HG23 ILE 69 HG23 ILE 69 0.144 0.455 -2.304 531 HD11 ILE 69 HD11 ILE 69 3.139 4.978 -2.569 532 HD12 ILE 69 HD12 ILE 69 3.547 3.815 -3.831 533 HD13 ILE 69 HD13 ILE 69 3.705 3.365 -2.133 534 H ARG 70 H ARG 70 4.091 1.776 -0.616 535 HA ARG 70 HA ARG 70 4.456 -1.026 -0.451 536 HB2 ARG 70 HB3 ARG 70 6.677 -0.463 0.524 537 HB3 ARG 70 HB2 ARG 70 6.307 0.522 -0.893 538 HG2 ARG 70 HG3 ARG 70 5.277 2.164 0.898 539 HG3 ARG 70 HG2 ARG 70 6.356 1.311 2.000 540 HD2 ARG 70 HD3 ARG 70 7.239 2.588 -0.603 541 HD3 ARG 70 HD2 ARG 70 7.404 3.346 0.979 542 HE ARG 70 HE ARG 70 8.985 1.072 -0.027 543 HH11 ARG 70 HH22 ARG 70 7.955 3.045 2.610 544 HH12 ARG 70 HH21 ARG 70 9.308 2.637 3.610 545 HH21 ARG 70 HH11 ARG 70 10.751 0.531 1.268 546 HH22 ARG 70 HH12 ARG 70 10.888 1.215 2.854 547 H SER 71 H SER 71 3.951 1.385 2.106 548 HA SER 71 HA SER 71 4.282 -0.438 4.297 549 HB2 SER 71 HB3 SER 71 3.259 1.292 5.636 550 HB3 SER 71 HB2 SER 71 4.304 2.073 4.457 551 HG SER 71 HG SER 71 2.596 2.843 3.443 552 H ILE 72 H ILE 72 1.517 0.445 2.269 553 HA ILE 72 HA ILE 72 -0.530 -0.731 3.836 554 HB ILE 72 HB ILE 72 -0.275 -0.442 0.831 555 HG12 ILE 72 HG13 ILE 72 -1.795 1.214 2.871 556 HG13 ILE 72 HG12 ILE 72 -0.224 1.659 2.207 557 HG21 ILE 72 HG21 ILE 72 -2.113 -1.732 0.737 558 HG22 ILE 72 HG22 ILE 72 -2.966 -0.429 1.565 559 HG23 ILE 72 HG23 ILE 72 -2.266 -1.754 2.494 560 HD11 ILE 72 HD11 ILE 72 -1.328 2.653 0.512 561 HD12 ILE 72 HD12 ILE 72 -2.863 1.950 1.025 562 HD13 ILE 72 HD13 ILE 72 -1.786 1.039 -0.034 563 H ASP 73 H ASP 73 1.367 -2.149 1.147 564 HA ASP 73 HA ASP 73 0.221 -4.751 1.309 565 HB2 ASP 73 HB3 ASP 73 1.819 -3.802 -0.479 566 HB3 ASP 73 HB2 ASP 73 3.120 -4.224 0.631 567 H ALA 74 H ALA 74 3.004 -3.305 2.962 568 HA ALA 74 HA ALA 74 3.784 -5.677 4.373 569 HB1 ALA 74 HB1 ALA 74 5.401 -4.345 5.291 570 HB2 ALA 74 HB2 ALA 74 4.263 -3.051 5.666 571 HB3 ALA 74 HB3 ALA 74 4.892 -3.226 4.027 572 H PHE 75 H PHE 75 1.532 -3.054 5.150 573 HA PHE 75 HA PHE 75 1.099 -3.752 7.877 574 HB2 PHE 75 HB3 PHE 75 0.286 -1.652 6.772 575 HB3 PHE 75 HB2 PHE 75 -0.940 -2.622 5.960 576 HD1 PHE 75 HD1 PHE 75 0.277 -1.452 9.259 577 HD2 PHE 75 HD2 PHE 75 -2.878 -3.439 7.125 578 HE1 PHE 75 HE1 PHE 75 -1.171 -1.313 11.269 579 HE2 PHE 75 HE2 PHE 75 -4.324 -3.300 9.134 580 HZ PHE 75 HZ PHE 75 -3.471 -2.238 11.206 581 H VAL 76 H VAL 76 -0.707 -4.741 4.947 582 HA VAL 76 HA VAL 76 -2.467 -6.516 6.362 583 HB VAL 76 HB VAL 76 -1.625 -6.574 3.452 584 HG11 VAL 76 HG11 VAL 76 -4.220 -7.365 3.564 585 HG12 VAL 76 HG12 VAL 76 -3.624 -8.003 5.094 586 HG13 VAL 76 HG13 VAL 76 -2.857 -8.481 3.583 587 HG21 VAL 76 HG21 VAL 76 -2.452 -4.365 3.994 588 HG22 VAL 76 HG22 VAL 76 -3.803 -5.044 4.903 589 HG23 VAL 76 HG23 VAL 76 -3.736 -5.230 3.150 590 H VAL 77 H VAL 77 0.482 -7.118 4.405 591 HA VAL 77 HA VAL 77 0.502 -9.949 4.946 592 HB VAL 77 HB VAL 77 2.688 -8.044 4.056 593 HG11 VAL 77 HG11 VAL 77 2.585 -11.066 4.169 594 HG12 VAL 77 HG12 VAL 77 3.695 -10.011 5.042 595 HG13 VAL 77 HG13 VAL 77 3.807 -10.151 3.287 596 HG21 VAL 77 HG21 VAL 77 2.078 -8.565 1.872 597 HG22 VAL 77 HG22 VAL 77 0.502 -8.593 2.661 598 HG23 VAL 77 HG23 VAL 77 1.351 -10.104 2.332 599 H GLY 78 H GLY 78 2.126 -7.148 6.369 600 HA2 GLY 78 HA3 GLY 78 3.783 -8.533 8.210 601 HA3 GLY 78 HA2 GLY 78 3.214 -6.879 8.419 602 H ALA 79 H ALA 79 0.415 -7.429 8.477 603 HA ALA 79 HA ALA 79 0.116 -8.125 11.252 604 HB1 ALA 79 HB1 ALA 79 -1.585 -6.715 10.593 605 HB2 ALA 79 HB2 ALA 79 -2.413 -8.260 10.406 606 HB3 ALA 79 HB3 ALA 79 -1.720 -7.455 8.998 607 H THR 80 H THR 80 -0.546 -9.899 8.242 608 HA THR 80 HA THR 80 -1.534 -12.228 9.717 609 HB THR 80 HB THR 80 -1.784 -13.257 7.531 610 HG1 THR 80 HG1 THR 80 -0.492 -12.717 5.986 611 HG21 THR 80 HG21 THR 80 -3.620 -11.978 7.310 612 HG22 THR 80 HG22 THR 80 -2.647 -10.770 6.470 613 HG23 THR 80 HG23 THR 80 -2.852 -10.676 8.219 614 H THR 81 H THR 81 1.467 -11.147 8.285 615 HA THR 81 HA THR 81 2.764 -13.590 9.369 616 HB THR 81 HB THR 81 4.355 -13.003 7.257 617 HG1 THR 81 HG1 THR 81 2.069 -12.866 5.854 618 HG21 THR 81 HG21 THR 81 3.272 -14.888 6.120 619 HG22 THR 81 HG22 THR 81 1.855 -14.706 7.155 620 HG23 THR 81 HG23 THR 81 3.395 -15.209 7.851 621 HA PRO 82 HA PRO 82 5.535 -10.792 11.366 622 HB2 PRO 82 HB2 PRO 82 7.944 -12.139 11.044 623 HB3 PRO 82 HB3 PRO 82 6.744 -12.488 12.301 624 HG2 PRO 82 HG3 PRO 82 7.260 -13.884 9.733 625 HG3 PRO 82 HG2 PRO 82 6.766 -14.542 11.302 626 HD2 PRO 82 HD3 PRO 82 5.019 -14.233 9.237 627 HD3 PRO 82 HD2 PRO 82 4.520 -14.093 10.938 628 HA PRO 83 HA PRO 83 7.076 -8.785 7.559 629 HB2 PRO 83 HB2 PRO 83 7.104 -6.233 8.525 630 HB3 PRO 83 HB3 PRO 83 5.653 -7.033 7.901 631 HG2 PRO 83 HG3 PRO 83 6.466 -6.494 10.690 632 HG3 PRO 83 HG2 PRO 83 4.848 -6.589 9.982 633 HD2 PRO 83 HD3 PRO 83 6.071 -8.596 11.495 634 HD3 PRO 83 HD2 PRO 83 4.670 -8.824 10.429 635 H VAL 84 H VAL 84 9.062 -7.861 6.928 636 HA VAL 84 HA VAL 84 11.189 -7.986 9.018 637 HB VAL 84 HB VAL 84 11.463 -8.010 5.995 638 HG11 VAL 84 HG11 VAL 84 13.442 -8.643 8.208 639 HG12 VAL 84 HG12 VAL 84 13.442 -7.172 7.235 640 HG13 VAL 84 HG13 VAL 84 13.764 -8.731 6.476 641 HG21 VAL 84 HG21 VAL 84 10.937 -10.124 8.002 642 HG22 VAL 84 HG22 VAL 84 12.238 -10.478 6.866 643 HG23 VAL 84 HG23 VAL 84 10.619 -10.115 6.267 644 H GLU 85 H GLU 85 12.236 -6.119 9.587 645 HA GLU 85 HA GLU 85 12.459 -3.766 9.767 646 HB2 GLU 85 HB3 GLU 85 14.196 -4.511 8.112 647 HB3 GLU 85 HB2 GLU 85 13.062 -4.125 6.817 648 HG2 GLU 85 HG3 GLU 85 12.939 -1.784 7.668 649 HG3 GLU 85 HG2 GLU 85 14.159 -2.187 8.875 650 H ALA 86 H ALA 86 9.955 -3.736 9.948 651 HA ALA 86 HA ALA 86 8.315 -3.028 7.734 652 HB1 ALA 86 HB1 ALA 86 8.056 -3.177 10.598 653 HB2 ALA 86 HB2 ALA 86 6.788 -3.232 9.373 654 HB3 ALA 86 HB3 ALA 86 7.321 -1.681 10.022 655 H LYS 87 H LYS 87 7.599 -0.964 6.998 656 HA LYS 87 HA LYS 87 9.559 1.060 6.744 657 HB2 LYS 87 HB3 LYS 87 7.554 0.829 5.280 658 HB3 LYS 87 HB2 LYS 87 6.545 1.390 6.612 659 HG2 LYS 87 HG3 LYS 87 7.877 3.506 6.672 660 HG3 LYS 87 HG2 LYS 87 8.755 2.952 5.246 661 HD2 LYS 87 HD3 LYS 87 6.544 2.733 4.060 662 HD3 LYS 87 HD2 LYS 87 5.782 3.490 5.458 663 HE2 LYS 87 HE3 LYS 87 7.528 4.694 3.370 664 HE3 LYS 87 HE2 LYS 87 6.154 5.393 4.227 665 HZ1 LYS 87 HZ1 LYS 87 7.445 5.926 6.041 666 HZ2 LYS 87 HZ2 LYS 87 8.526 6.208 4.765 667 HZ3 LYS 87 HZ3 LYS 87 8.645 4.780 5.677 668 H LEU 88 H LEU 88 6.930 0.702 9.103 669 HA LEU 88 HA LEU 88 7.165 3.244 10.349 670 HB2 LEU 88 HB3 LEU 88 5.340 1.579 10.791 671 HB3 LEU 88 HB2 LEU 88 6.501 0.611 11.699 672 HG LEU 88 HG LEU 88 6.928 2.623 13.156 673 HD11 LEU 88 HD11 LEU 88 4.563 4.062 12.840 674 HD12 LEU 88 HD12 LEU 88 5.113 3.797 11.186 675 HD13 LEU 88 HD13 LEU 88 6.170 4.595 12.350 676 HD21 LEU 88 HD21 LEU 88 4.614 2.465 14.281 677 HD22 LEU 88 HD22 LEU 88 5.505 0.956 14.074 678 HD23 LEU 88 HD23 LEU 88 4.188 1.361 12.973 679 H GLN 89 H GLN 89 8.988 0.242 10.825 680 HA GLN 89 HA GLN 89 10.627 1.563 12.920 681 HB2 GLN 89 HB3 GLN 89 10.617 -1.282 11.866 682 HB3 GLN 89 HB2 GLN 89 11.659 -0.695 13.164 683 HG2 GLN 89 HG3 GLN 89 9.690 -0.102 14.505 684 HG3 GLN 89 HG2 GLN 89 8.626 -0.633 13.201 685 HE21 GLN 89 HE22 GLN 89 8.469 -1.862 15.765 686 HE22 GLN 89 HE21 GLN 89 9.029 -3.460 15.639 Start of MODEL 11 1 H1 SER -1 H1 SER -1 8.006 -10.843 4.934 2 H2 SER -1 H2 SER -1 8.638 -11.908 3.769 3 H3 SER -1 H3 SER -1 7.121 -11.180 3.527 4 HA SER -1 HA SER -1 8.304 -8.972 3.574 5 HB2 SER -1 HB3 SER -1 10.645 -10.876 3.292 6 HB3 SER -1 HB2 SER -1 10.727 -9.150 2.949 7 HG SER -1 HG SER -1 11.064 -10.298 5.254 8 H GLU 0 H GLU 0 7.715 -11.827 1.900 9 HA GLU 0 HA GLU 0 8.699 -11.276 -0.707 10 HB2 GLU 0 HB3 GLU 0 6.139 -12.686 0.110 11 HB3 GLU 0 HB2 GLU 0 6.872 -12.763 -1.492 12 HG2 GLU 0 HG3 GLU 0 8.936 -13.708 -0.478 13 HG3 GLU 0 HG2 GLU 0 8.144 -13.695 1.098 14 H MET 1 H MET 1 7.907 -10.014 -2.387 15 HA MET 1 HA MET 1 6.329 -7.724 -1.771 16 HB2 MET 1 HB3 MET 1 6.991 -9.029 -4.422 17 HB3 MET 1 HB2 MET 1 6.180 -7.471 -4.277 18 HG2 MET 1 HG3 MET 1 8.108 -6.633 -2.934 19 HG3 MET 1 HG2 MET 1 8.928 -8.171 -3.206 20 HE1 MET 1 HE1 MET 1 10.585 -6.583 -3.617 21 HE2 MET 1 HE2 MET 1 10.474 -5.202 -4.717 22 HE3 MET 1 HE3 MET 1 11.209 -6.708 -5.259 23 H GLN 2 H GLN 2 5.458 -10.866 -3.150 24 HA GLN 2 HA GLN 2 3.361 -11.817 -3.571 25 HB2 GLN 2 HB3 GLN 2 2.504 -9.799 -1.472 26 HB3 GLN 2 HB2 GLN 2 1.544 -11.172 -2.022 27 HG2 GLN 2 HG3 GLN 2 3.322 -12.714 -1.264 28 HG3 GLN 2 HG2 GLN 2 4.263 -11.338 -0.689 29 HE21 GLN 2 HE22 GLN 2 3.592 -13.190 1.240 30 HE22 GLN 2 HE21 GLN 2 2.354 -12.597 2.239 31 H HIS 3 H HIS 3 4.089 -10.042 -5.490 32 HA HIS 3 HA HIS 3 3.079 -8.967 -7.323 33 HB2 HIS 3 HB3 HIS 3 0.479 -8.725 -5.831 34 HB3 HIS 3 HB2 HIS 3 0.758 -8.932 -7.555 35 HD1 HIS 3 HD1 HIS 3 1.865 -11.362 -8.220 36 HD2 HIS 3 HD2 HIS 3 -0.060 -11.117 -4.527 37 HE1 HIS 3 HE1 HIS 3 1.391 -13.745 -7.498 38 HE2 HIS 3 HE2 HIS 3 0.221 -13.607 -5.251 39 H ALA 4 H ALA 4 4.604 -7.414 -5.761 40 HA ALA 4 HA ALA 4 3.315 -5.220 -4.464 41 HB1 ALA 4 HB1 ALA 4 5.561 -4.031 -5.189 42 HB2 ALA 4 HB2 ALA 4 6.035 -5.667 -5.642 43 HB3 ALA 4 HB3 ALA 4 5.586 -5.306 -3.973 44 H SER 5 H SER 5 4.288 -5.749 -7.832 45 HA SER 5 HA SER 5 3.784 -3.125 -8.803 46 HB2 SER 5 HB3 SER 5 4.932 -4.958 -10.079 47 HB3 SER 5 HB2 SER 5 3.361 -5.723 -10.303 48 HG SER 5 HG SER 5 3.635 -3.017 -10.948 49 H VAL 6 H VAL 6 1.603 -5.882 -8.329 50 HA VAL 6 HA VAL 6 -0.667 -4.769 -9.643 51 HB VAL 6 HB VAL 6 -0.475 -6.684 -7.316 52 HG11 VAL 6 HG11 VAL 6 -2.669 -5.873 -7.128 53 HG12 VAL 6 HG12 VAL 6 -2.867 -7.258 -8.202 54 HG13 VAL 6 HG13 VAL 6 -2.826 -5.626 -8.868 55 HG21 VAL 6 HG21 VAL 6 -0.978 -8.364 -9.060 56 HG22 VAL 6 HG22 VAL 6 0.499 -7.477 -9.440 57 HG23 VAL 6 HG23 VAL 6 -1.003 -7.086 -10.276 58 H ILE 7 H ILE 7 0.435 -4.526 -6.280 59 HA ILE 7 HA ILE 7 -1.764 -3.022 -5.277 60 HB ILE 7 HB ILE 7 1.155 -2.888 -4.458 61 HG12 ILE 7 HG13 ILE 7 -1.072 -4.561 -3.265 62 HG13 ILE 7 HG12 ILE 7 0.026 -5.180 -4.498 63 HG21 ILE 7 HG21 ILE 7 0.174 -2.217 -2.255 64 HG22 ILE 7 HG22 ILE 7 -1.413 -2.143 -3.021 65 HG23 ILE 7 HG23 ILE 7 -0.136 -1.038 -3.529 66 HD11 ILE 7 HD11 ILE 7 0.474 -5.057 -1.705 67 HD12 ILE 7 HD12 ILE 7 1.551 -3.869 -2.440 68 HD13 ILE 7 HD13 ILE 7 1.614 -5.555 -2.955 69 H ALA 8 H ALA 8 1.327 -1.956 -6.708 70 HA ALA 8 HA ALA 8 0.839 0.847 -6.479 71 HB1 ALA 8 HB1 ALA 8 2.782 1.081 -7.668 72 HB2 ALA 8 HB2 ALA 8 2.298 -0.102 -8.884 73 HB3 ALA 8 HB3 ALA 8 2.941 -0.643 -7.333 74 H GLN 9 H GLN 9 -0.005 -1.528 -8.969 75 HA GLN 9 HA GLN 9 -1.096 0.342 -10.849 76 HB2 GLN 9 HB3 GLN 9 -0.519 -2.063 -11.341 77 HB3 GLN 9 HB2 GLN 9 -1.949 -2.534 -10.423 78 HG2 GLN 9 HG3 GLN 9 -3.347 -1.144 -11.948 79 HG3 GLN 9 HG2 GLN 9 -1.906 -0.792 -12.903 80 HE21 GLN 9 HE22 GLN 9 -4.468 -3.034 -12.500 81 HE22 GLN 9 HE21 GLN 9 -3.850 -4.271 -13.485 82 H PHE 10 H PHE 10 -2.425 -1.327 -8.046 83 HA PHE 10 HA PHE 10 -5.177 -0.758 -8.469 84 HB2 PHE 10 HB3 PHE 10 -3.499 -1.704 -6.311 85 HB3 PHE 10 HB2 PHE 10 -4.698 -0.568 -5.701 86 HD1 PHE 10 HD1 PHE 10 -7.156 -0.918 -6.589 87 HD2 PHE 10 HD2 PHE 10 -4.100 -3.934 -6.631 88 HE1 PHE 10 HE1 PHE 10 -8.897 -2.680 -6.714 89 HE2 PHE 10 HE2 PHE 10 -5.838 -5.696 -6.759 90 HZ PHE 10 HZ PHE 10 -8.237 -5.069 -6.795 91 H VAL 11 H VAL 11 -2.760 1.087 -6.581 92 HA VAL 11 HA VAL 11 -4.578 3.232 -5.994 93 HB VAL 11 HB VAL 11 -2.484 4.510 -5.452 94 HG11 VAL 11 HG11 VAL 11 -1.675 2.359 -3.929 95 HG12 VAL 11 HG12 VAL 11 -3.334 1.926 -4.342 96 HG13 VAL 11 HG13 VAL 11 -3.000 3.447 -3.515 97 HG21 VAL 11 HG21 VAL 11 -1.146 1.944 -6.352 98 HG22 VAL 11 HG22 VAL 11 -0.338 3.319 -5.603 99 HG23 VAL 11 HG23 VAL 11 -1.056 3.486 -7.205 100 H VAL 12 H VAL 12 -2.265 2.663 -8.618 101 HA VAL 12 HA VAL 12 -2.489 5.243 -9.830 102 HB VAL 12 HB VAL 12 -1.885 2.536 -11.034 103 HG11 VAL 12 HG11 VAL 12 -1.601 5.324 -12.185 104 HG12 VAL 12 HG12 VAL 12 -2.643 4.037 -12.794 105 HG13 VAL 12 HG13 VAL 12 -0.889 3.879 -12.899 106 HG21 VAL 12 HG21 VAL 12 0.294 4.427 -10.920 107 HG22 VAL 12 HG22 VAL 12 0.185 2.826 -10.189 108 HG23 VAL 12 HG23 VAL 12 -0.417 4.236 -9.318 109 H GLU 13 H GLU 13 -4.295 2.206 -10.362 110 HA GLU 13 HA GLU 13 -6.021 3.365 -12.378 111 HB2 GLU 13 HB3 GLU 13 -6.261 0.869 -10.697 112 HB3 GLU 13 HB2 GLU 13 -7.361 1.288 -12.002 113 HG2 GLU 13 HG3 GLU 13 -5.446 1.371 -13.569 114 HG3 GLU 13 HG2 GLU 13 -4.383 0.867 -12.260 115 H GLU 14 H GLU 14 -5.957 3.408 -8.946 116 HA GLU 14 HA GLU 14 -8.746 3.683 -8.398 117 HB2 GLU 14 HB3 GLU 14 -6.975 3.268 -6.679 118 HB3 GLU 14 HB2 GLU 14 -6.443 4.939 -6.881 119 HG2 GLU 14 HG3 GLU 14 -8.739 5.705 -6.272 120 HG3 GLU 14 HG2 GLU 14 -9.186 4.027 -5.967 121 H PHE 15 H PHE 15 -6.329 6.040 -9.464 122 HA PHE 15 HA PHE 15 -8.567 7.955 -9.872 123 HB2 PHE 15 HB3 PHE 15 -7.445 8.471 -7.683 124 HB3 PHE 15 HB2 PHE 15 -5.952 8.762 -8.577 125 HD1 PHE 15 HD1 PHE 15 -9.499 9.857 -8.248 126 HD2 PHE 15 HD2 PHE 15 -5.575 10.817 -9.703 127 HE1 PHE 15 HE1 PHE 15 -10.253 12.164 -8.757 128 HE2 PHE 15 HE2 PHE 15 -6.328 13.124 -10.215 129 HZ PHE 15 HZ PHE 15 -8.668 13.797 -9.743 130 H LEU 16 H LEU 16 -5.191 7.085 -10.562 131 HA LEU 16 HA LEU 16 -5.431 8.630 -13.114 132 HB2 LEU 16 HB3 LEU 16 -3.223 8.320 -11.149 133 HB3 LEU 16 HB2 LEU 16 -2.773 8.343 -12.853 134 HG LEU 16 HG LEU 16 -4.664 10.403 -11.749 135 HD11 LEU 16 HD11 LEU 16 -2.768 10.614 -10.289 136 HD12 LEU 16 HD12 LEU 16 -2.600 11.871 -11.514 137 HD13 LEU 16 HD13 LEU 16 -1.638 10.397 -11.626 138 HD21 LEU 16 HD21 LEU 16 -2.634 11.041 -13.801 139 HD22 LEU 16 HD22 LEU 16 -4.357 11.418 -13.769 140 HD23 LEU 16 HD23 LEU 16 -3.813 9.822 -14.285 141 HA PRO 17 HA PRO 17 -4.896 4.163 -14.197 142 HB2 PRO 17 HB2 PRO 17 -6.901 4.052 -16.046 143 HB3 PRO 17 HB3 PRO 17 -7.165 3.791 -14.313 144 HG2 PRO 17 HG3 PRO 17 -7.780 6.151 -15.981 145 HG3 PRO 17 HG2 PRO 17 -8.610 5.527 -14.550 146 HD2 PRO 17 HD3 PRO 17 -6.858 7.706 -14.587 147 HD3 PRO 17 HD2 PRO 17 -7.359 6.812 -13.138 148 H ASP 18 H ASP 18 -4.839 7.130 -15.939 149 HA ASP 18 HA ASP 18 -3.896 5.889 -18.439 150 HB2 ASP 18 HB3 ASP 18 -4.311 8.760 -17.598 151 HB3 ASP 18 HB2 ASP 18 -3.721 8.282 -19.184 152 H VAL 19 H VAL 19 -2.463 6.307 -15.573 153 HA VAL 19 HA VAL 19 0.113 7.294 -16.728 154 HB VAL 19 HB VAL 19 -0.694 7.029 -13.816 155 HG11 VAL 19 HG11 VAL 19 1.673 6.923 -13.949 156 HG12 VAL 19 HG12 VAL 19 1.325 8.619 -13.612 157 HG13 VAL 19 HG13 VAL 19 1.734 8.111 -15.250 158 HG21 VAL 19 HG21 VAL 19 -0.441 9.528 -15.518 159 HG22 VAL 19 HG22 VAL 19 -0.992 9.436 -13.845 160 HG23 VAL 19 HG23 VAL 19 -1.979 8.752 -15.137 161 H ALA 20 H ALA 20 1.833 5.894 -16.824 162 HA ALA 20 HA ALA 20 1.375 3.078 -16.376 163 HB1 ALA 20 HB1 ALA 20 3.082 2.972 -17.827 164 HB2 ALA 20 HB2 ALA 20 4.164 3.609 -16.588 165 HB3 ALA 20 HB3 ALA 20 3.324 4.713 -17.678 166 HA PRO 21 HA PRO 21 2.273 3.365 -11.911 167 HB2 PRO 21 HB2 PRO 21 2.672 0.434 -12.233 168 HB3 PRO 21 HB3 PRO 21 1.651 1.313 -11.083 169 HG2 PRO 21 HG3 PRO 21 0.645 0.003 -13.195 170 HG3 PRO 21 HG2 PRO 21 -0.089 1.475 -12.542 171 HD2 PRO 21 HD3 PRO 21 1.444 1.106 -15.058 172 HD3 PRO 21 HD2 PRO 21 0.201 2.309 -14.647 173 H ALA 22 H ALA 22 4.248 1.779 -14.341 174 HA ALA 22 HA ALA 22 6.543 1.237 -12.714 175 HB1 ALA 22 HB1 ALA 22 7.768 1.285 -14.932 176 HB2 ALA 22 HB2 ALA 22 6.245 1.764 -15.681 177 HB3 ALA 22 HB3 ALA 22 6.379 0.199 -14.879 178 H ASP 23 H ASP 23 5.294 4.172 -14.099 179 HA ASP 23 HA ASP 23 7.847 5.603 -13.847 180 HB2 ASP 23 HB3 ASP 23 6.599 7.552 -14.617 181 HB3 ASP 23 HB2 ASP 23 6.201 6.168 -15.633 182 H VAL 24 H VAL 24 5.891 4.452 -11.557 183 HA VAL 24 HA VAL 24 5.876 6.938 -9.904 184 HB VAL 24 HB VAL 24 4.655 4.261 -9.206 185 HG11 VAL 24 HG11 VAL 24 3.337 6.668 -8.255 186 HG12 VAL 24 HG12 VAL 24 5.033 6.640 -7.772 187 HG13 VAL 24 HG13 VAL 24 3.968 5.304 -7.334 188 HG21 VAL 24 HG21 VAL 24 2.527 5.157 -10.074 189 HG22 VAL 24 HG22 VAL 24 3.729 5.075 -11.362 190 HG23 VAL 24 HG23 VAL 24 3.352 6.623 -10.605 191 H ASP 25 H ASP 25 7.316 7.135 -8.231 192 HA ASP 25 HA ASP 25 9.206 4.910 -7.784 193 HB2 ASP 25 HB3 ASP 25 9.992 7.288 -8.016 194 HB3 ASP 25 HB2 ASP 25 9.152 7.663 -6.511 195 H VAL 26 H VAL 26 8.760 3.437 -6.211 196 HA VAL 26 HA VAL 26 6.634 3.861 -4.294 197 HB VAL 26 HB VAL 26 7.265 1.662 -3.440 198 HG11 VAL 26 HG11 VAL 26 6.192 0.862 -5.246 199 HG12 VAL 26 HG12 VAL 26 7.730 0.823 -6.109 200 HG13 VAL 26 HG13 VAL 26 6.706 2.257 -6.195 201 HG21 VAL 26 HG21 VAL 26 9.561 1.488 -3.318 202 HG22 VAL 26 HG22 VAL 26 9.808 2.337 -4.845 203 HG23 VAL 26 HG23 VAL 26 9.308 0.646 -4.848 204 H ASP 27 H ASP 27 9.588 5.237 -4.386 205 HA ASP 27 HA ASP 27 10.272 4.894 -1.537 206 HB2 ASP 27 HB3 ASP 27 11.520 6.517 -3.773 207 HB3 ASP 27 HB2 ASP 27 12.138 6.472 -2.125 208 H LEU 28 H LEU 28 8.216 6.799 -3.389 209 HA LEU 28 HA LEU 28 8.395 9.120 -1.533 210 HB2 LEU 28 HB3 LEU 28 8.377 9.556 -3.988 211 HB3 LEU 28 HB2 LEU 28 6.786 8.810 -4.085 212 HG LEU 28 HG LEU 28 5.977 10.494 -2.392 213 HD11 LEU 28 HD11 LEU 28 7.570 12.606 -2.447 214 HD12 LEU 28 HD12 LEU 28 8.819 11.395 -2.731 215 HD13 LEU 28 HD13 LEU 28 7.837 11.322 -1.269 216 HD21 LEU 28 HD21 LEU 28 5.259 11.261 -4.414 217 HD22 LEU 28 HD22 LEU 28 6.835 11.023 -5.169 218 HD23 LEU 28 HD23 LEU 28 6.527 12.471 -4.210 219 H ASP 29 H ASP 29 6.692 9.604 -0.149 220 HA ASP 29 HA ASP 29 4.931 7.520 0.638 221 HB2 ASP 29 HB3 ASP 29 4.731 10.519 1.069 222 HB3 ASP 29 HB2 ASP 29 3.705 9.336 1.880 223 H LEU 30 H LEU 30 2.816 7.070 0.123 224 HA LEU 30 HA LEU 30 1.904 7.778 -2.503 225 HB2 LEU 30 HB3 LEU 30 1.401 5.719 -0.861 226 HB3 LEU 30 HB2 LEU 30 -0.013 6.705 -0.499 227 HG LEU 30 HG LEU 30 0.863 5.898 -3.285 228 HD11 LEU 30 HD11 LEU 30 -0.397 4.354 -1.329 229 HD12 LEU 30 HD12 LEU 30 -0.384 4.033 -3.063 230 HD13 LEU 30 HD13 LEU 30 -1.719 4.932 -2.344 231 HD21 LEU 30 HD21 LEU 30 -1.276 7.653 -2.155 232 HD22 LEU 30 HD22 LEU 30 -1.671 6.675 -3.568 233 HD23 LEU 30 HD23 LEU 30 -0.345 7.835 -3.641 234 H VAL 31 H VAL 31 0.962 8.864 0.745 235 HA VAL 31 HA VAL 31 -1.325 10.361 -0.090 236 HB VAL 31 HB VAL 31 0.501 10.717 2.296 237 HG11 VAL 31 HG11 VAL 31 -1.741 12.315 1.251 238 HG12 VAL 31 HG12 VAL 31 -0.520 12.743 2.449 239 HG13 VAL 31 HG13 VAL 31 -1.943 11.818 2.932 240 HG21 VAL 31 HG21 VAL 31 -1.503 8.819 1.594 241 HG22 VAL 31 HG22 VAL 31 -2.187 9.857 2.844 242 HG23 VAL 31 HG23 VAL 31 -0.680 8.991 3.145 243 H ASP 32 H ASP 32 2.106 11.230 0.100 244 HA ASP 32 HA ASP 32 1.892 14.020 -0.213 245 HB2 ASP 32 HB3 ASP 32 3.904 12.091 -1.412 246 HB3 ASP 32 HB2 ASP 32 4.085 13.846 -1.454 247 H ASN 33 H ASN 33 1.473 11.423 -2.528 248 HA ASN 33 HA ASN 33 1.337 13.092 -4.878 249 HB2 ASN 33 HB3 ASN 33 0.326 10.318 -4.268 250 HB3 ASN 33 HB2 ASN 33 0.222 11.052 -5.861 251 HD21 ASN 33 HD22 ASN 33 1.790 8.698 -5.447 252 HD22 ASN 33 HD21 ASN 33 3.428 9.099 -5.633 253 H GLY 34 H GLY 34 -1.030 11.931 -2.530 254 HA2 GLY 34 HA3 GLY 34 -3.143 12.943 -2.062 255 HA3 GLY 34 HA2 GLY 34 -2.959 13.935 -3.511 256 H VAL 35 H VAL 35 -2.174 10.782 -4.246 257 HA VAL 35 HA VAL 35 -4.393 10.401 -5.998 258 HB VAL 35 HB VAL 35 -2.418 8.422 -4.827 259 HG11 VAL 35 HG11 VAL 35 -4.658 8.106 -6.810 260 HG12 VAL 35 HG12 VAL 35 -4.189 7.037 -5.487 261 HG13 VAL 35 HG13 VAL 35 -3.208 7.113 -6.950 262 HG21 VAL 35 HG21 VAL 35 -1.912 10.439 -6.544 263 HG22 VAL 35 HG22 VAL 35 -2.467 9.223 -7.695 264 HG23 VAL 35 HG23 VAL 35 -1.090 8.882 -6.647 265 H ILE 36 H ILE 36 -3.827 9.467 -2.646 266 HA ILE 36 HA ILE 36 -6.348 7.925 -2.587 267 HB ILE 36 HB ILE 36 -4.347 8.522 -0.386 268 HG12 ILE 36 HG13 ILE 36 -4.794 5.985 -1.984 269 HG13 ILE 36 HG12 ILE 36 -3.499 7.135 -2.289 270 HG21 ILE 36 HG21 ILE 36 -6.681 6.597 -0.551 271 HG22 ILE 36 HG22 ILE 36 -6.575 8.017 0.491 272 HG23 ILE 36 HG23 ILE 36 -5.502 6.642 0.758 273 HD11 ILE 36 HD11 ILE 36 -2.260 6.303 -0.598 274 HD12 ILE 36 HD12 ILE 36 -3.447 5.004 -0.460 275 HD13 ILE 36 HD13 ILE 36 -3.613 6.461 0.519 276 H ASP 37 H ASP 37 -8.217 8.883 -2.071 277 HA ASP 37 HA ASP 37 -8.155 11.466 -0.579 278 HB2 ASP 37 HB3 ASP 37 -10.096 10.393 -2.644 279 HB3 ASP 37 HB2 ASP 37 -10.386 11.844 -1.691 280 H ALA 38 H ALA 38 -10.801 11.601 0.174 281 HA ALA 38 HA ALA 38 -10.906 9.836 2.430 282 HB1 ALA 38 HB1 ALA 38 -12.356 11.464 3.019 283 HB2 ALA 38 HB2 ALA 38 -13.532 10.713 1.942 284 HB3 ALA 38 HB3 ALA 38 -12.496 12.011 1.349 285 H LEU 39 H LEU 39 -12.877 9.921 -0.545 286 HA LEU 39 HA LEU 39 -14.126 7.371 -0.025 287 HB2 LEU 39 HB3 LEU 39 -13.797 8.990 -2.560 288 HB3 LEU 39 HB2 LEU 39 -14.725 7.499 -2.478 289 HG LEU 39 HG LEU 39 -15.989 8.622 -0.530 290 HD11 LEU 39 HD11 LEU 39 -14.517 10.965 -1.742 291 HD12 LEU 39 HD12 LEU 39 -14.659 10.522 -0.041 292 HD13 LEU 39 HD13 LEU 39 -16.052 11.171 -0.901 293 HD21 LEU 39 HD21 LEU 39 -17.042 8.218 -2.680 294 HD22 LEU 39 HD22 LEU 39 -16.226 9.614 -3.384 295 HD23 LEU 39 HD23 LEU 39 -17.467 9.846 -2.151 296 H GLY 40 H GLY 40 -11.247 8.523 -1.628 297 HA2 GLY 40 HA3 GLY 40 -10.500 6.169 -3.019 298 HA3 GLY 40 HA2 GLY 40 -9.370 7.387 -2.418 299 H LEU 41 H LEU 41 -9.930 7.211 0.326 300 HA LEU 41 HA LEU 41 -8.334 4.957 1.088 301 HB2 LEU 41 HB3 LEU 41 -8.517 7.088 2.387 302 HB3 LEU 41 HB2 LEU 41 -10.169 6.647 2.815 303 HG LEU 41 HG LEU 41 -8.132 4.561 3.327 304 HD11 LEU 41 HD11 LEU 41 -6.741 6.271 4.121 305 HD12 LEU 41 HD12 LEU 41 -7.658 5.839 5.564 306 HD13 LEU 41 HD13 LEU 41 -8.101 7.270 4.632 307 HD21 LEU 41 HD21 LEU 41 -9.563 4.030 5.093 308 HD22 LEU 41 HD22 LEU 41 -10.697 4.752 3.950 309 HD23 LEU 41 HD23 LEU 41 -10.085 5.702 5.303 310 H LEU 42 H LEU 42 -11.820 5.609 1.167 311 HA LEU 42 HA LEU 42 -12.629 3.239 2.520 312 HB2 LEU 42 HB3 LEU 42 -14.152 5.130 2.055 313 HB3 LEU 42 HB2 LEU 42 -14.058 4.783 0.330 314 HG LEU 42 HG LEU 42 -14.784 2.342 1.272 315 HD11 LEU 42 HD11 LEU 42 -16.255 4.331 3.014 316 HD12 LEU 42 HD12 LEU 42 -14.931 3.321 3.593 317 HD13 LEU 42 HD13 LEU 42 -16.424 2.576 3.022 318 HD21 LEU 42 HD21 LEU 42 -16.385 4.729 0.379 319 HD22 LEU 42 HD22 LEU 42 -17.187 3.204 0.759 320 HD23 LEU 42 HD23 LEU 42 -15.977 3.268 -0.523 321 H LYS 43 H LYS 43 -12.198 3.906 -0.939 322 HA LYS 43 HA LYS 43 -12.957 1.344 -1.893 323 HB2 LYS 43 HB3 LYS 43 -10.974 3.333 -3.012 324 HB3 LYS 43 HB2 LYS 43 -11.571 1.931 -3.890 325 HG2 LYS 43 HG3 LYS 43 -13.900 2.777 -3.581 326 HG3 LYS 43 HG2 LYS 43 -13.238 4.224 -2.821 327 HD2 LYS 43 HD3 LYS 43 -11.930 4.668 -4.904 328 HD3 LYS 43 HD2 LYS 43 -12.726 3.287 -5.659 329 HE2 LYS 43 HE3 LYS 43 -14.811 4.339 -5.701 330 HE3 LYS 43 HE2 LYS 43 -14.391 5.442 -4.390 331 HZ1 LYS 43 HZ1 LYS 43 -14.434 6.534 -6.570 332 HZ2 LYS 43 HZ2 LYS 43 -13.197 5.505 -7.109 333 HZ3 LYS 43 HZ3 LYS 43 -12.897 6.605 -5.850 334 H VAL 44 H VAL 44 -9.889 2.554 -0.648 335 HA VAL 44 HA VAL 44 -8.241 0.351 -1.378 336 HB VAL 44 HB VAL 44 -8.075 2.263 0.959 337 HG11 VAL 44 HG11 VAL 44 -6.143 0.162 -0.056 338 HG12 VAL 44 HG12 VAL 44 -6.806 0.318 1.571 339 HG13 VAL 44 HG13 VAL 44 -5.646 1.505 0.975 340 HG21 VAL 44 HG21 VAL 44 -6.715 3.575 -0.407 341 HG22 VAL 44 HG22 VAL 44 -7.863 2.943 -1.588 342 HG23 VAL 44 HG23 VAL 44 -6.263 2.215 -1.436 343 H ILE 45 H ILE 45 -10.182 0.956 1.525 344 HA ILE 45 HA ILE 45 -9.410 -1.432 2.902 345 HB ILE 45 HB ILE 45 -11.528 0.636 3.159 346 HG12 ILE 45 HG13 ILE 45 -10.631 0.727 5.433 347 HG13 ILE 45 HG12 ILE 45 -9.668 -0.717 5.134 348 HG21 ILE 45 HG21 ILE 45 -11.720 -2.147 4.319 349 HG22 ILE 45 HG22 ILE 45 -12.957 -1.242 3.445 350 HG23 ILE 45 HG23 ILE 45 -12.499 -0.759 5.077 351 HD11 ILE 45 HD11 ILE 45 -8.508 1.593 4.890 352 HD12 ILE 45 HD12 ILE 45 -9.393 1.707 3.370 353 HD13 ILE 45 HD13 ILE 45 -8.244 0.396 3.624 354 H ALA 46 H ALA 46 -12.135 -0.743 0.703 355 HA ALA 46 HA ALA 46 -13.467 -3.236 1.161 356 HB1 ALA 46 HB1 ALA 46 -13.574 -1.103 -0.916 357 HB2 ALA 46 HB2 ALA 46 -14.856 -1.727 0.122 358 HB3 ALA 46 HB3 ALA 46 -14.332 -2.653 -1.285 359 H TRP 47 H TRP 47 -11.275 -2.295 -1.543 360 HA TRP 47 HA TRP 47 -11.363 -5.023 -2.585 361 HB2 TRP 47 HB3 TRP 47 -10.720 -3.907 -4.424 362 HB3 TRP 47 HB2 TRP 47 -10.352 -2.467 -3.475 363 HD1 TRP 47 HD1 TRP 47 -8.718 -5.904 -4.210 364 HE1 TRP 47 HE1 TRP 47 -6.160 -5.567 -4.265 365 HE3 TRP 47 HE3 TRP 47 -8.482 -0.948 -3.127 366 HZ2 TRP 47 HZ2 TRP 47 -4.263 -3.448 -3.886 367 HZ3 TRP 47 HZ3 TRP 47 -6.299 0.221 -2.969 368 HH2 TRP 47 HH2 TRP 47 -4.190 -1.025 -3.353 369 H LEU 48 H LEU 48 -8.905 -3.086 -0.861 370 HA LEU 48 HA LEU 48 -6.854 -5.036 -0.898 371 HB2 LEU 48 HB3 LEU 48 -6.626 -2.654 -0.102 372 HB3 LEU 48 HB2 LEU 48 -7.457 -3.128 1.377 373 HG LEU 48 HG LEU 48 -5.696 -4.895 1.699 374 HD11 LEU 48 HD11 LEU 48 -4.895 -3.860 -0.903 375 HD12 LEU 48 HD12 LEU 48 -4.375 -5.329 -0.078 376 HD13 LEU 48 HD13 LEU 48 -3.568 -3.797 0.257 377 HD21 LEU 48 HD21 LEU 48 -5.578 -2.067 2.116 378 HD22 LEU 48 HD22 LEU 48 -3.949 -2.639 1.753 379 HD23 LEU 48 HD23 LEU 48 -4.853 -3.344 3.094 380 H GLU 49 H GLU 49 -9.482 -4.557 1.472 381 HA GLU 49 HA GLU 49 -8.647 -6.707 3.187 382 HB2 GLU 49 HB3 GLU 49 -11.339 -5.385 2.788 383 HB3 GLU 49 HB2 GLU 49 -10.968 -6.513 4.082 384 HG2 GLU 49 HG3 GLU 49 -9.468 -3.941 3.582 385 HG3 GLU 49 HG2 GLU 49 -10.716 -4.148 4.798 386 H ASP 50 H ASP 50 -10.846 -6.504 0.411 387 HA ASP 50 HA ASP 50 -11.953 -9.122 0.611 388 HB2 ASP 50 HB3 ASP 50 -12.782 -7.284 -0.876 389 HB3 ASP 50 HB2 ASP 50 -11.395 -7.581 -1.922 390 H ARG 51 H ARG 51 -8.957 -7.983 -0.907 391 HA ARG 51 HA ARG 51 -8.304 -10.313 -2.358 392 HB2 ARG 51 HB3 ARG 51 -6.500 -8.329 -0.974 393 HB3 ARG 51 HB2 ARG 51 -5.941 -9.538 -2.122 394 HG2 ARG 51 HG3 ARG 51 -8.147 -7.622 -2.846 395 HG3 ARG 51 HG2 ARG 51 -6.456 -7.157 -3.020 396 HD2 ARG 51 HD3 ARG 51 -6.132 -9.281 -4.383 397 HD3 ARG 51 HD2 ARG 51 -7.886 -9.455 -4.381 398 HE ARG 51 HE ARG 51 -7.276 -6.829 -5.274 399 HH11 ARG 51 HH22 ARG 51 -6.905 -10.140 -6.160 400 HH12 ARG 51 HH21 ARG 51 -6.930 -9.826 -7.863 401 HH21 ARG 51 HH11 ARG 51 -7.311 -6.400 -7.495 402 HH22 ARG 51 HH12 ARG 51 -7.159 -7.709 -8.618 403 H PHE 52 H PHE 52 -7.693 -9.583 1.078 404 HA PHE 52 HA PHE 52 -6.360 -12.207 1.355 405 HB2 PHE 52 HB3 PHE 52 -6.619 -9.764 3.047 406 HB3 PHE 52 HB2 PHE 52 -6.385 -11.306 3.872 407 HD1 PHE 52 HD1 PHE 52 -5.031 -9.290 1.015 408 HD2 PHE 52 HD2 PHE 52 -4.224 -12.182 4.087 409 HE1 PHE 52 HE1 PHE 52 -2.622 -9.240 0.429 410 HE2 PHE 52 HE2 PHE 52 -1.815 -12.130 3.503 411 HZ PHE 52 HZ PHE 52 -1.014 -10.660 1.673 412 H GLY 53 H GLY 53 -9.515 -11.139 1.371 413 HA2 GLY 53 HA3 GLY 53 -11.478 -12.308 1.958 414 HA3 GLY 53 HA2 GLY 53 -10.456 -13.629 2.537 415 H ILE 54 H ILE 54 -10.024 -10.338 3.600 416 HA ILE 54 HA ILE 54 -10.921 -11.166 6.321 417 HB ILE 54 HB ILE 54 -9.333 -9.403 7.112 418 HG12 ILE 54 HG13 ILE 54 -8.550 -9.318 4.182 419 HG13 ILE 54 HG12 ILE 54 -9.451 -8.054 5.012 420 HG21 ILE 54 HG21 ILE 54 -8.558 -11.709 7.009 421 HG22 ILE 54 HG22 ILE 54 -7.258 -10.650 6.460 422 HG23 ILE 54 HG23 ILE 54 -8.216 -11.552 5.286 423 HD11 ILE 54 HD11 ILE 54 -7.096 -7.443 4.960 424 HD12 ILE 54 HD12 ILE 54 -6.648 -8.997 5.667 425 HD13 ILE 54 HD13 ILE 54 -7.553 -7.821 6.621 426 H ALA 55 H ALA 55 -12.069 -9.565 7.582 427 HA ALA 55 HA ALA 55 -13.598 -7.673 5.876 428 HB1 ALA 55 HB1 ALA 55 -15.325 -7.870 7.390 429 HB2 ALA 55 HB2 ALA 55 -14.238 -8.046 8.767 430 HB3 ALA 55 HB3 ALA 55 -14.529 -9.414 7.693 431 H ALA 56 H ALA 56 -13.514 -5.455 6.213 432 HA ALA 56 HA ALA 56 -11.196 -4.344 7.459 433 HB1 ALA 56 HB1 ALA 56 -13.563 -2.583 7.183 434 HB2 ALA 56 HB2 ALA 56 -13.041 -3.395 5.706 435 HB3 ALA 56 HB3 ALA 56 -11.917 -2.362 6.589 436 H ASP 57 H ASP 57 -14.442 -4.970 8.660 437 HA ASP 57 HA ASP 57 -14.432 -3.321 10.947 438 HB2 ASP 57 HB3 ASP 57 -15.625 -6.059 10.513 439 HB3 ASP 57 HB2 ASP 57 -15.970 -5.056 11.917 440 H ASP 58 H ASP 58 -13.004 -6.525 10.439 441 HA ASP 58 HA ASP 58 -12.242 -7.017 13.138 442 HB2 ASP 58 HB3 ASP 58 -10.969 -7.895 10.544 443 HB3 ASP 58 HB2 ASP 58 -10.513 -8.527 12.124 444 H VAL 59 H VAL 59 -10.552 -5.319 10.515 445 HA VAL 59 HA VAL 59 -8.714 -4.191 12.583 446 HB VAL 59 HB VAL 59 -7.949 -4.984 9.768 447 HG11 VAL 59 HG11 VAL 59 -6.394 -3.364 10.204 448 HG12 VAL 59 HG12 VAL 59 -5.634 -4.653 11.137 449 HG13 VAL 59 HG13 VAL 59 -6.643 -3.455 11.948 450 HG21 VAL 59 HG21 VAL 59 -6.775 -6.834 10.731 451 HG22 VAL 59 HG22 VAL 59 -8.392 -6.870 11.434 452 HG23 VAL 59 HG23 VAL 59 -7.039 -6.233 12.368 453 H GLU 60 H GLU 60 -8.538 -1.981 12.505 454 HA GLU 60 HA GLU 60 -9.929 -0.605 10.252 455 HB2 GLU 60 HB3 GLU 60 -10.712 -0.142 12.587 456 HB3 GLU 60 HB2 GLU 60 -9.120 0.513 12.950 457 HG2 GLU 60 HG3 GLU 60 -9.413 2.148 11.104 458 HG3 GLU 60 HG2 GLU 60 -11.044 1.536 10.859 459 H LEU 61 H LEU 61 -8.759 0.712 8.892 460 HA LEU 61 HA LEU 61 -5.841 0.857 9.352 461 HB2 LEU 61 HB3 LEU 61 -7.455 1.661 6.916 462 HB3 LEU 61 HB2 LEU 61 -5.711 1.472 7.008 463 HG LEU 61 HG LEU 61 -7.774 -0.707 7.324 464 HD11 LEU 61 HD11 LEU 61 -7.416 -1.113 5.139 465 HD12 LEU 61 HD12 LEU 61 -5.673 -1.166 5.398 466 HD13 LEU 61 HD13 LEU 61 -6.468 0.372 5.065 467 HD21 LEU 61 HD21 LEU 61 -4.826 -0.600 7.900 468 HD22 LEU 61 HD22 LEU 61 -5.546 -2.103 7.321 469 HD23 LEU 61 HD23 LEU 61 -6.111 -1.376 8.826 470 H SER 62 H SER 62 -4.763 2.828 9.584 471 HA SER 62 HA SER 62 -6.506 5.219 9.938 472 HB2 SER 62 HB3 SER 62 -4.676 4.042 11.665 473 HB3 SER 62 HB2 SER 62 -3.766 5.367 10.954 474 HG SER 62 HG SER 62 -5.317 5.634 12.914 475 HA PRO 63 HA PRO 63 -4.687 7.301 6.498 476 HB2 PRO 63 HB2 PRO 63 -3.665 9.580 7.886 477 HB3 PRO 63 HB3 PRO 63 -5.194 9.457 7.001 478 HG2 PRO 63 HG3 PRO 63 -4.679 9.311 9.887 479 HG3 PRO 63 HG2 PRO 63 -6.160 9.742 9.020 480 HD2 PRO 63 HD3 PRO 63 -5.865 7.378 10.345 481 HD3 PRO 63 HD2 PRO 63 -6.892 7.548 8.907 482 H GLU 64 H GLU 64 -2.870 6.728 9.397 483 HA GLU 64 HA GLU 64 -0.257 7.391 8.364 484 HB2 GLU 64 HB3 GLU 64 -0.733 7.259 10.787 485 HB3 GLU 64 HB2 GLU 64 -1.043 5.537 10.619 486 HG2 GLU 64 HG3 GLU 64 1.257 5.214 9.795 487 HG3 GLU 64 HG2 GLU 64 1.567 6.931 10.027 488 H HIS 65 H HIS 65 -2.312 4.559 8.284 489 HA HIS 65 HA HIS 65 -0.299 2.671 7.522 490 HB2 HIS 65 HB3 HIS 65 -2.261 1.612 8.149 491 HB3 HIS 65 HB2 HIS 65 -3.280 2.811 7.355 492 HD1 HIS 65 HD1 HIS 65 -2.022 -0.551 6.921 493 HD2 HIS 65 HD2 HIS 65 -3.045 2.570 4.349 494 HE1 HIS 65 HE1 HIS 65 -2.374 -1.587 4.632 495 HE2 HIS 65 HE2 HIS 65 -2.987 0.304 3.061 496 H PHE 66 H PHE 66 -1.760 5.276 5.887 497 HA PHE 66 HA PHE 66 -1.086 4.178 3.221 498 HB2 PHE 66 HB3 PHE 66 -2.384 6.826 3.908 499 HB3 PHE 66 HB2 PHE 66 -2.340 6.039 2.331 500 HD1 PHE 66 HD1 PHE 66 -3.482 5.494 5.848 501 HD2 PHE 66 HD2 PHE 66 -4.074 4.570 1.697 502 HE1 PHE 66 HE1 PHE 66 -5.546 4.251 6.424 503 HE2 PHE 66 HE2 PHE 66 -6.141 3.327 2.271 504 HZ PHE 66 HZ PHE 66 -6.876 3.168 4.635 505 H ARG 67 H ARG 67 0.712 5.291 5.493 506 HA ARG 67 HA ARG 67 1.958 7.680 4.782 507 HB2 ARG 67 HB3 ARG 67 3.928 6.787 5.927 508 HB3 ARG 67 HB2 ARG 67 2.468 6.322 6.797 509 HG2 ARG 67 HG3 ARG 67 2.731 4.246 5.035 510 HG3 ARG 67 HG2 ARG 67 4.417 4.640 5.355 511 HD2 ARG 67 HD3 ARG 67 3.594 4.687 7.875 512 HD3 ARG 67 HD2 ARG 67 2.301 3.672 7.242 513 HE ARG 67 HE ARG 67 4.950 2.760 6.446 514 HH11 ARG 67 HH22 ARG 67 2.486 2.780 8.857 515 HH12 ARG 67 HH21 ARG 67 2.950 1.255 9.536 516 HH21 ARG 67 HH11 ARG 67 5.566 0.761 7.317 517 HH22 ARG 67 HH12 ARG 67 4.693 0.114 8.665 518 H SER 68 H SER 68 2.390 4.461 3.327 519 HA SER 68 HA SER 68 3.469 5.694 0.921 520 HB2 SER 68 HB3 SER 68 5.655 4.577 0.998 521 HB3 SER 68 HB2 SER 68 5.468 5.670 2.364 522 HG SER 68 HG SER 68 4.865 2.898 2.441 523 H ILE 69 H ILE 69 3.610 4.169 -0.838 524 HA ILE 69 HA ILE 69 1.677 2.105 -0.844 525 HB ILE 69 HB ILE 69 4.113 2.261 -2.635 526 HG12 ILE 69 HG13 ILE 69 2.073 3.506 -3.978 527 HG13 ILE 69 HG12 ILE 69 1.785 4.042 -2.328 528 HG21 ILE 69 HG21 ILE 69 1.902 0.517 -2.501 529 HG22 ILE 69 HG22 ILE 69 3.087 0.640 -3.801 530 HG23 ILE 69 HG23 ILE 69 1.600 1.584 -3.871 531 HD11 ILE 69 HD11 ILE 69 4.402 4.478 -2.357 532 HD12 ILE 69 HD12 ILE 69 3.287 5.664 -3.031 533 HD13 ILE 69 HD13 ILE 69 4.144 4.553 -4.098 534 H ARG 70 H ARG 70 5.195 1.996 -0.444 535 HA ARG 70 HA ARG 70 5.516 -0.817 -0.303 536 HB2 ARG 70 HB3 ARG 70 7.581 -0.272 1.003 537 HB3 ARG 70 HB2 ARG 70 7.425 0.704 -0.459 538 HG2 ARG 70 HG3 ARG 70 6.154 2.365 1.140 539 HG3 ARG 70 HG2 ARG 70 7.024 1.512 2.408 540 HD2 ARG 70 HD3 ARG 70 8.430 2.664 -0.011 541 HD3 ARG 70 HD2 ARG 70 8.153 3.606 1.453 542 HE ARG 70 HE ARG 70 9.377 1.096 2.133 543 HH11 ARG 70 HH22 ARG 70 9.949 4.155 0.650 544 HH12 ARG 70 HH21 ARG 70 11.634 4.184 1.052 545 HH21 ARG 70 HH11 ARG 70 11.573 1.116 2.667 546 HH22 ARG 70 HH12 ARG 70 12.554 2.463 2.194 547 H SER 71 H SER 71 4.677 1.564 2.181 548 HA SER 71 HA SER 71 4.716 -0.226 4.412 549 HB2 SER 71 HB3 SER 71 4.643 2.148 4.817 550 HB3 SER 71 HB2 SER 71 3.154 2.315 3.891 551 HG SER 71 HG SER 71 3.133 0.485 5.979 552 H ILE 72 H ILE 72 2.127 0.667 2.129 553 HA ILE 72 HA ILE 72 0.011 -0.702 3.412 554 HB ILE 72 HB ILE 72 0.492 -0.289 0.446 555 HG12 ILE 72 HG13 ILE 72 -1.094 1.364 2.439 556 HG13 ILE 72 HG12 ILE 72 0.511 1.790 1.842 557 HG21 ILE 72 HG21 ILE 72 -1.415 -1.438 0.164 558 HG22 ILE 72 HG22 ILE 72 -2.251 -0.238 1.148 559 HG23 ILE 72 HG23 ILE 72 -1.559 -1.671 1.906 560 HD11 ILE 72 HD11 ILE 72 -2.077 1.631 0.300 561 HD12 ILE 72 HD12 ILE 72 -0.517 1.576 -0.518 562 HD13 ILE 72 HD13 ILE 72 -0.964 2.992 0.433 563 H ASP 73 H ASP 73 2.265 -1.862 0.885 564 HA ASP 73 HA ASP 73 1.220 -4.509 0.731 565 HB2 ASP 73 HB3 ASP 73 2.996 -3.349 -0.765 566 HB3 ASP 73 HB2 ASP 73 4.156 -3.866 0.455 567 H ALA 74 H ALA 74 3.758 -3.095 2.773 568 HA ALA 74 HA ALA 74 4.422 -5.530 4.140 569 HB1 ALA 74 HB1 ALA 74 5.826 -4.213 5.432 570 HB2 ALA 74 HB2 ALA 74 4.680 -2.873 5.492 571 HB3 ALA 74 HB3 ALA 74 5.621 -3.163 4.029 572 H PHE 75 H PHE 75 2.092 -2.940 4.820 573 HA PHE 75 HA PHE 75 1.348 -3.846 7.424 574 HB2 PHE 75 HB3 PHE 75 0.711 -1.629 6.438 575 HB3 PHE 75 HB2 PHE 75 -0.436 -2.479 5.407 576 HD1 PHE 75 HD1 PHE 75 -2.414 -3.594 6.353 577 HD2 PHE 75 HD2 PHE 75 0.334 -1.415 8.832 578 HE1 PHE 75 HE1 PHE 75 -4.071 -3.605 8.198 579 HE2 PHE 75 HE2 PHE 75 -1.324 -1.424 10.677 580 HZ PHE 75 HZ PHE 75 -3.527 -2.518 10.360 581 H VAL 76 H VAL 76 -0.080 -4.545 4.220 582 HA VAL 76 HA VAL 76 -2.090 -6.330 5.200 583 HB VAL 76 HB VAL 76 -0.731 -6.040 2.511 584 HG11 VAL 76 HG11 VAL 76 -1.464 -8.279 2.503 585 HG12 VAL 76 HG12 VAL 76 -2.798 -7.394 1.764 586 HG13 VAL 76 HG13 VAL 76 -2.903 -7.905 3.449 587 HG21 VAL 76 HG21 VAL 76 -3.591 -5.513 2.727 588 HG22 VAL 76 HG22 VAL 76 -2.308 -4.468 2.118 589 HG23 VAL 76 HG23 VAL 76 -2.662 -4.515 3.845 590 H VAL 77 H VAL 77 1.164 -6.965 3.820 591 HA VAL 77 HA VAL 77 0.997 -9.813 4.236 592 HB VAL 77 HB VAL 77 3.373 -7.962 3.879 593 HG11 VAL 77 HG11 VAL 77 4.019 -10.528 3.000 594 HG12 VAL 77 HG12 VAL 77 3.177 -10.789 4.527 595 HG13 VAL 77 HG13 VAL 77 4.600 -9.751 4.472 596 HG21 VAL 77 HG21 VAL 77 1.404 -9.185 2.077 597 HG22 VAL 77 HG22 VAL 77 3.072 -9.542 1.625 598 HG23 VAL 77 HG23 VAL 77 2.537 -7.868 1.773 599 H GLY 78 H GLY 78 2.627 -7.187 5.999 600 HA2 GLY 78 HA3 GLY 78 3.626 -8.830 8.119 601 HA3 GLY 78 HA2 GLY 78 3.435 -7.080 8.191 602 H ALA 79 H ALA 79 0.502 -7.359 7.547 603 HA ALA 79 HA ALA 79 -0.442 -7.431 10.258 604 HB1 ALA 79 HB1 ALA 79 -1.810 -7.373 7.572 605 HB2 ALA 79 HB2 ALA 79 -1.720 -6.099 8.789 606 HB3 ALA 79 HB3 ALA 79 -2.740 -7.511 9.063 607 H THR 80 H THR 80 -0.546 -9.799 7.615 608 HA THR 80 HA THR 80 -2.058 -11.708 9.242 609 HB THR 80 HB THR 80 -1.832 -13.199 7.327 610 HG1 THR 80 HG1 THR 80 0.421 -11.991 7.001 611 HG21 THR 80 HG21 THR 80 -2.227 -10.902 5.653 612 HG22 THR 80 HG22 THR 80 -2.943 -10.584 7.233 613 HG23 THR 80 HG23 THR 80 -3.439 -12.002 6.309 614 H THR 81 H THR 81 1.294 -11.044 8.464 615 HA THR 81 HA THR 81 2.067 -13.252 10.303 616 HB THR 81 HB THR 81 2.564 -14.074 8.095 617 HG1 THR 81 HG1 THR 81 4.510 -14.600 8.644 618 HG21 THR 81 HG21 THR 81 4.237 -12.547 6.732 619 HG22 THR 81 HG22 THR 81 3.487 -11.260 7.677 620 HG23 THR 81 HG23 THR 81 2.497 -12.280 6.633 621 HA PRO 82 HA PRO 82 4.415 -10.344 12.695 622 HB2 PRO 82 HB2 PRO 82 6.747 -12.100 12.066 623 HB3 PRO 82 HB3 PRO 82 6.221 -11.445 13.627 624 HG2 PRO 82 HG3 PRO 82 5.753 -13.988 12.892 625 HG3 PRO 82 HG2 PRO 82 4.657 -13.071 13.937 626 HD2 PRO 82 HD3 PRO 82 4.248 -13.960 11.164 627 HD3 PRO 82 HD2 PRO 82 3.053 -13.395 12.349 628 HA PRO 83 HA PRO 83 5.916 -8.101 8.971 629 HB2 PRO 83 HB2 PRO 83 6.273 -5.888 10.890 630 HB3 PRO 83 HB3 PRO 83 5.337 -5.935 9.387 631 HG2 PRO 83 HG3 PRO 83 4.213 -5.923 11.845 632 HG3 PRO 83 HG2 PRO 83 3.459 -6.662 10.426 633 HD2 PRO 83 HD3 PRO 83 4.753 -7.968 12.757 634 HD3 PRO 83 HD2 PRO 83 3.479 -8.577 11.677 635 H VAL 84 H VAL 84 8.012 -7.546 8.289 636 HA VAL 84 HA VAL 84 10.166 -8.081 10.282 637 HB VAL 84 HB VAL 84 10.322 -7.985 7.253 638 HG11 VAL 84 HG11 VAL 84 12.473 -7.526 8.249 639 HG12 VAL 84 HG12 VAL 84 12.489 -9.205 7.708 640 HG13 VAL 84 HG13 VAL 84 12.267 -8.832 9.418 641 HG21 VAL 84 HG21 VAL 84 9.112 -9.920 8.855 642 HG22 VAL 84 HG22 VAL 84 10.728 -10.563 8.565 643 HG23 VAL 84 HG23 VAL 84 9.685 -10.155 7.204 644 H GLU 85 H GLU 85 11.472 -6.421 10.913 645 HA GLU 85 HA GLU 85 12.044 -4.140 11.201 646 HB2 GLU 85 HB3 GLU 85 12.581 -4.597 8.250 647 HB3 GLU 85 HB2 GLU 85 13.247 -3.274 9.209 648 HG2 GLU 85 HG3 GLU 85 14.309 -4.935 10.723 649 HG3 GLU 85 HG2 GLU 85 13.700 -6.233 9.694 650 H ALA 86 H ALA 86 9.482 -3.880 11.343 651 HA ALA 86 HA ALA 86 7.885 -2.854 9.324 652 HB1 ALA 86 HB1 ALA 86 6.863 -1.377 11.149 653 HB2 ALA 86 HB2 ALA 86 8.105 -2.022 12.223 654 HB3 ALA 86 HB3 ALA 86 6.921 -3.106 11.492 655 H LYS 87 H LYS 87 7.533 -0.763 8.435 656 HA LYS 87 HA LYS 87 9.819 0.782 7.829 657 HB2 LYS 87 HB3 LYS 87 7.629 0.819 6.585 658 HB3 LYS 87 HB2 LYS 87 6.961 1.788 7.898 659 HG2 LYS 87 HG3 LYS 87 8.723 3.496 7.513 660 HG3 LYS 87 HG2 LYS 87 9.325 2.542 6.156 661 HD2 LYS 87 HD3 LYS 87 7.037 2.700 5.119 662 HD3 LYS 87 HD2 LYS 87 6.584 3.813 6.410 663 HE2 LYS 87 HE3 LYS 87 8.066 4.357 3.991 664 HE3 LYS 87 HE2 LYS 87 7.453 5.494 5.192 665 HZ1 LYS 87 HZ1 LYS 87 10.043 4.056 5.207 666 HZ2 LYS 87 HZ2 LYS 87 9.426 4.843 6.578 667 HZ3 LYS 87 HZ3 LYS 87 9.779 5.735 5.175 668 H LEU 88 H LEU 88 7.517 1.062 10.492 669 HA LEU 88 HA LEU 88 8.623 3.616 11.401 670 HB2 LEU 88 HB3 LEU 88 6.823 1.669 12.877 671 HB3 LEU 88 HB2 LEU 88 7.103 3.362 13.289 672 HG LEU 88 HG LEU 88 5.797 2.324 10.756 673 HD11 LEU 88 HD11 LEU 88 4.715 3.957 13.075 674 HD12 LEU 88 HD12 LEU 88 4.365 2.255 12.773 675 HD13 LEU 88 HD13 LEU 88 3.809 3.485 11.638 676 HD21 LEU 88 HD21 LEU 88 6.880 4.257 10.023 677 HD22 LEU 88 HD22 LEU 88 6.794 5.027 11.607 678 HD23 LEU 88 HD23 LEU 88 5.352 4.923 10.597 679 H GLN 89 H GLN 89 10.073 3.900 13.111 680 HA GLN 89 HA GLN 89 11.913 3.316 14.450 681 HB2 GLN 89 HB3 GLN 89 9.999 2.518 15.859 682 HB3 GLN 89 HB2 GLN 89 10.168 0.927 15.117 683 HG2 GLN 89 HG3 GLN 89 12.480 0.770 15.937 684 HG3 GLN 89 HG2 GLN 89 12.341 2.374 16.659 685 HE21 GLN 89 HE22 GLN 89 12.944 0.378 18.441 686 HE22 GLN 89 HE21 GLN 89 11.588 -0.039 19.374 Start of MODEL 12 1 H1 SER -1 H1 SER -1 7.865 -13.535 -3.957 2 H2 SER -1 H2 SER -1 8.942 -13.425 -2.647 3 H3 SER -1 H3 SER -1 7.815 -12.185 -2.931 4 HA SER -1 HA SER -1 6.126 -14.184 -2.690 5 HB2 SER -1 HB3 SER -1 8.639 -14.950 -1.207 6 HB3 SER -1 HB2 SER -1 7.056 -15.496 -0.661 7 HG SER -1 HG SER -1 6.763 -16.530 -2.603 8 H GLU 0 H GLU 0 8.441 -12.690 -0.393 9 HA GLU 0 HA GLU 0 6.535 -12.081 1.618 10 HB2 GLU 0 HB3 GLU 0 9.052 -11.913 1.826 11 HB3 GLU 0 HB2 GLU 0 8.960 -10.403 0.918 12 HG2 GLU 0 HG3 GLU 0 8.946 -9.812 3.248 13 HG3 GLU 0 HG2 GLU 0 7.301 -9.582 2.652 14 H MET 1 H MET 1 7.419 -10.368 -1.337 15 HA MET 1 HA MET 1 6.108 -7.899 -0.808 16 HB2 MET 1 HB3 MET 1 6.596 -9.380 -3.404 17 HB3 MET 1 HB2 MET 1 5.952 -7.740 -3.325 18 HG2 MET 1 HG3 MET 1 7.963 -7.042 -2.041 19 HG3 MET 1 HG2 MET 1 8.620 -8.668 -2.225 20 HE1 MET 1 HE1 MET 1 10.830 -6.544 -4.577 21 HE2 MET 1 HE2 MET 1 10.837 -7.924 -3.471 22 HE3 MET 1 HE3 MET 1 10.251 -6.356 -2.924 23 H GLN 2 H GLN 2 4.880 -11.002 -1.942 24 HA GLN 2 HA GLN 2 2.692 -11.765 -2.259 25 HB2 GLN 2 HB3 GLN 2 2.041 -9.423 -0.439 26 HB3 GLN 2 HB2 GLN 2 0.938 -10.733 -0.849 27 HG2 GLN 2 HG3 GLN 2 2.496 -12.367 0.143 28 HG3 GLN 2 HG2 GLN 2 3.602 -11.057 0.561 29 HE21 GLN 2 HE22 GLN 2 2.576 -12.641 2.644 30 HE22 GLN 2 HE21 GLN 2 1.467 -11.735 3.554 31 H HIS 3 H HIS 3 3.636 -10.320 -4.361 32 HA HIS 3 HA HIS 3 2.767 -9.381 -6.335 33 HB2 HIS 3 HB3 HIS 3 0.178 -8.710 -4.963 34 HB3 HIS 3 HB2 HIS 3 0.468 -9.175 -6.635 35 HD1 HIS 3 HD1 HIS 3 1.361 -11.765 -6.929 36 HD2 HIS 3 HD2 HIS 3 -0.624 -10.841 -3.377 37 HE1 HIS 3 HE1 HIS 3 0.643 -13.973 -5.912 38 HE2 HIS 3 HE2 HIS 3 -0.567 -13.422 -3.752 39 H ALA 4 H ALA 4 4.421 -7.787 -5.026 40 HA ALA 4 HA ALA 4 3.359 -5.349 -3.978 41 HB1 ALA 4 HB1 ALA 4 5.712 -4.509 -4.952 42 HB2 ALA 4 HB2 ALA 4 5.994 -6.247 -5.043 43 HB3 ALA 4 HB3 ALA 4 5.604 -5.495 -3.495 44 H SER 5 H SER 5 4.297 -6.303 -7.277 45 HA SER 5 HA SER 5 3.895 -3.750 -8.493 46 HB2 SER 5 HB3 SER 5 3.844 -4.951 -10.597 47 HB3 SER 5 HB2 SER 5 5.045 -5.716 -9.560 48 HG SER 5 HG SER 5 3.003 -7.011 -8.921 49 H VAL 6 H VAL 6 1.666 -6.377 -7.718 50 HA VAL 6 HA VAL 6 -0.571 -5.382 -9.205 51 HB VAL 6 HB VAL 6 -0.424 -7.075 -6.708 52 HG11 VAL 6 HG11 VAL 6 -2.751 -6.129 -8.361 53 HG12 VAL 6 HG12 VAL 6 -2.602 -6.213 -6.606 54 HG13 VAL 6 HG13 VAL 6 -2.822 -7.690 -7.544 55 HG21 VAL 6 HG21 VAL 6 -0.867 -7.697 -9.643 56 HG22 VAL 6 HG22 VAL 6 -1.026 -8.880 -8.344 57 HG23 VAL 6 HG23 VAL 6 0.540 -8.140 -8.676 58 H ILE 7 H ILE 7 0.545 -4.822 -5.892 59 HA ILE 7 HA ILE 7 -1.636 -3.227 -5.004 60 HB ILE 7 HB ILE 7 1.297 -2.982 -4.267 61 HG12 ILE 7 HG13 ILE 7 -0.893 -4.584 -2.909 62 HG13 ILE 7 HG12 ILE 7 0.260 -5.286 -4.044 63 HG21 ILE 7 HG21 ILE 7 -0.079 -1.073 -3.529 64 HG22 ILE 7 HG22 ILE 7 0.407 -2.062 -2.151 65 HG23 ILE 7 HG23 ILE 7 -1.233 -2.185 -2.791 66 HD11 ILE 7 HD11 ILE 7 0.763 -4.145 -1.307 67 HD12 ILE 7 HD12 ILE 7 2.063 -4.182 -2.498 68 HD13 ILE 7 HD13 ILE 7 1.295 -5.684 -1.984 69 H ALA 8 H ALA 8 1.401 -2.319 -6.640 70 HA ALA 8 HA ALA 8 0.918 0.496 -6.656 71 HB1 ALA 8 HB1 ALA 8 3.013 -1.020 -7.389 72 HB2 ALA 8 HB2 ALA 8 2.797 0.628 -7.980 73 HB3 ALA 8 HB3 ALA 8 2.312 -0.739 -8.984 74 H GLN 9 H GLN 9 -0.045 -2.089 -8.890 75 HA GLN 9 HA GLN 9 -1.097 -0.447 -10.958 76 HB2 GLN 9 HB3 GLN 9 -0.792 -2.951 -11.061 77 HB3 GLN 9 HB2 GLN 9 -2.226 -3.108 -10.046 78 HG2 GLN 9 HG3 GLN 9 -3.525 -1.822 -11.745 79 HG3 GLN 9 HG2 GLN 9 -2.095 -1.802 -12.779 80 HE21 GLN 9 HE22 GLN 9 -1.796 -4.693 -11.268 81 HE22 GLN 9 HE21 GLN 9 -2.658 -5.689 -12.338 82 H PHE 10 H PHE 10 -2.572 -1.650 -7.963 83 HA PHE 10 HA PHE 10 -5.193 -0.626 -8.468 84 HB2 PHE 10 HB3 PHE 10 -3.672 -1.406 -6.007 85 HB3 PHE 10 HB2 PHE 10 -5.211 -0.563 -5.836 86 HD1 PHE 10 HD2 PHE 10 -7.256 -1.515 -7.033 87 HD2 PHE 10 HD1 PHE 10 -3.609 -3.721 -6.508 88 HE1 PHE 10 HE2 PHE 10 -8.478 -3.631 -7.443 89 HE2 PHE 10 HE1 PHE 10 -4.833 -5.839 -6.918 90 HZ PHE 10 HZ PHE 10 -7.267 -5.792 -7.380 91 H VAL 11 H VAL 11 -2.345 0.824 -6.917 92 HA VAL 11 HA VAL 11 -3.599 3.190 -5.988 93 HB VAL 11 HB VAL 11 -0.776 2.675 -6.941 94 HG11 VAL 11 HG11 VAL 11 -2.030 5.128 -5.689 95 HG12 VAL 11 HG12 VAL 11 -1.092 5.032 -7.180 96 HG13 VAL 11 HG13 VAL 11 -0.295 4.810 -5.623 97 HG21 VAL 11 HG21 VAL 11 -0.278 2.516 -4.588 98 HG22 VAL 11 HG22 VAL 11 -1.686 1.497 -4.888 99 HG23 VAL 11 HG23 VAL 11 -1.889 3.087 -4.153 100 H VAL 12 H VAL 12 -1.899 2.680 -9.130 101 HA VAL 12 HA VAL 12 -2.550 5.308 -10.079 102 HB VAL 12 HB VAL 12 -1.847 4.514 -12.264 103 HG11 VAL 12 HG11 VAL 12 0.113 2.937 -10.855 104 HG12 VAL 12 HG12 VAL 12 -0.328 4.347 -9.893 105 HG13 VAL 12 HG13 VAL 12 0.277 4.555 -11.537 106 HG21 VAL 12 HG21 VAL 12 -1.896 1.743 -11.040 107 HG22 VAL 12 HG22 VAL 12 -1.353 2.144 -12.667 108 HG23 VAL 12 HG23 VAL 12 -3.047 2.342 -12.233 109 H GLU 13 H GLU 13 -4.195 2.174 -10.392 110 HA GLU 13 HA GLU 13 -6.221 3.097 -12.197 111 HB2 GLU 13 HB3 GLU 13 -6.156 0.803 -10.240 112 HB3 GLU 13 HB2 GLU 13 -7.468 1.071 -11.379 113 HG2 GLU 13 HG3 GLU 13 -5.832 1.017 -13.240 114 HG3 GLU 13 HG2 GLU 13 -4.565 0.647 -12.082 115 H GLU 14 H GLU 14 -5.760 3.520 -8.808 116 HA GLU 14 HA GLU 14 -8.482 3.856 -8.006 117 HB2 GLU 14 HB3 GLU 14 -6.503 3.666 -6.456 118 HB3 GLU 14 HB2 GLU 14 -6.081 5.324 -6.884 119 HG2 GLU 14 HG3 GLU 14 -8.353 6.050 -6.127 120 HG3 GLU 14 HG2 GLU 14 -8.662 4.399 -5.590 121 H PHE 15 H PHE 15 -6.233 6.012 -9.656 122 HA PHE 15 HA PHE 15 -8.496 7.849 -10.147 123 HB2 PHE 15 HB3 PHE 15 -7.347 8.650 -8.059 124 HB3 PHE 15 HB2 PHE 15 -5.879 8.870 -9.011 125 HD1 PHE 15 HD1 PHE 15 -9.426 9.938 -8.673 126 HD2 PHE 15 HD2 PHE 15 -5.601 10.756 -10.445 127 HE1 PHE 15 HE1 PHE 15 -10.253 12.150 -9.434 128 HE2 PHE 15 HE2 PHE 15 -6.428 12.967 -11.209 129 HZ PHE 15 HZ PHE 15 -8.753 13.663 -10.703 130 H LEU 16 H LEU 16 -5.160 6.891 -10.832 131 HA LEU 16 HA LEU 16 -5.439 8.172 -13.523 132 HB2 LEU 16 HB3 LEU 16 -3.197 8.068 -11.573 133 HB3 LEU 16 HB2 LEU 16 -2.782 7.929 -13.280 134 HG LEU 16 HG LEU 16 -4.699 10.062 -12.421 135 HD11 LEU 16 HD11 LEU 16 -3.056 10.691 -10.916 136 HD12 LEU 16 HD12 LEU 16 -2.447 11.482 -12.370 137 HD13 LEU 16 HD13 LEU 16 -1.764 9.940 -11.853 138 HD21 LEU 16 HD21 LEU 16 -4.186 10.988 -14.465 139 HD22 LEU 16 HD22 LEU 16 -3.785 9.312 -14.843 140 HD23 LEU 16 HD23 LEU 16 -2.509 10.448 -14.405 141 HA PRO 17 HA PRO 17 -4.924 3.592 -14.083 142 HB2 PRO 17 HB2 PRO 17 -6.861 3.323 -16.005 143 HB3 PRO 17 HB3 PRO 17 -7.175 3.196 -14.266 144 HG2 PRO 17 HG3 PRO 17 -7.745 5.414 -16.130 145 HG3 PRO 17 HG2 PRO 17 -8.608 4.908 -14.672 146 HD2 PRO 17 HD3 PRO 17 -6.879 7.085 -14.840 147 HD3 PRO 17 HD2 PRO 17 -7.378 6.290 -13.334 148 H ASP 18 H ASP 18 -4.681 6.345 -16.108 149 HA ASP 18 HA ASP 18 -3.687 4.801 -18.419 150 HB2 ASP 18 HB3 ASP 18 -4.138 7.749 -17.958 151 HB3 ASP 18 HB2 ASP 18 -3.480 7.085 -19.448 152 H VAL 19 H VAL 19 -2.298 5.396 -15.615 153 HA VAL 19 HA VAL 19 0.275 6.379 -16.786 154 HB VAL 19 HB VAL 19 -0.615 6.320 -13.887 155 HG11 VAL 19 HG11 VAL 19 1.421 7.754 -13.583 156 HG12 VAL 19 HG12 VAL 19 1.858 7.418 -15.259 157 HG13 VAL 19 HG13 VAL 19 1.801 6.104 -14.082 158 HG21 VAL 19 HG21 VAL 19 -1.813 7.970 -15.349 159 HG22 VAL 19 HG22 VAL 19 -0.251 8.662 -15.782 160 HG23 VAL 19 HG23 VAL 19 -0.816 8.739 -14.114 161 H ALA 20 H ALA 20 2.018 5.024 -16.772 162 HA ALA 20 HA ALA 20 1.619 2.233 -16.087 163 HB1 ALA 20 HB1 ALA 20 4.208 3.636 -16.785 164 HB2 ALA 20 HB2 ALA 20 3.053 3.053 -17.983 165 HB3 ALA 20 HB3 ALA 20 3.867 1.910 -16.915 166 HA PRO 21 HA PRO 21 2.675 2.914 -11.708 167 HB2 PRO 21 HB2 PRO 21 3.248 -0.005 -11.831 168 HB3 PRO 21 HB3 PRO 21 2.228 0.898 -10.696 169 HG2 PRO 21 HG3 PRO 21 1.209 -0.622 -12.657 170 HG3 PRO 21 HG2 PRO 21 0.417 0.849 -12.075 171 HD2 PRO 21 HD3 PRO 21 1.844 0.379 -14.635 172 HD3 PRO 21 HD2 PRO 21 0.564 1.549 -14.244 173 H ALA 22 H ALA 22 4.663 1.280 -14.091 174 HA ALA 22 HA ALA 22 7.041 1.004 -12.518 175 HB1 ALA 22 HB1 ALA 22 6.607 -0.095 -14.747 176 HB2 ALA 22 HB2 ALA 22 8.186 0.679 -14.621 177 HB3 ALA 22 HB3 ALA 22 6.884 1.472 -15.508 178 H ASP 23 H ASP 23 5.583 3.736 -14.131 179 HA ASP 23 HA ASP 23 8.047 5.333 -13.987 180 HB2 ASP 23 HB3 ASP 23 6.706 7.126 -14.954 181 HB3 ASP 23 HB2 ASP 23 6.417 5.634 -15.847 182 H VAL 24 H VAL 24 6.107 4.278 -11.640 183 HA VAL 24 HA VAL 24 6.046 6.890 -10.177 184 HB VAL 24 HB VAL 24 4.623 4.330 -9.420 185 HG11 VAL 24 HG11 VAL 24 3.245 5.900 -8.075 186 HG12 VAL 24 HG12 VAL 24 4.272 7.231 -8.606 187 HG13 VAL 24 HG13 VAL 24 4.944 5.944 -7.605 188 HG21 VAL 24 HG21 VAL 24 3.697 4.943 -11.542 189 HG22 VAL 24 HG22 VAL 24 3.728 6.660 -11.138 190 HG23 VAL 24 HG23 VAL 24 2.583 5.585 -10.335 191 H ASP 25 H ASP 25 7.360 7.107 -8.399 192 HA ASP 25 HA ASP 25 9.129 4.836 -7.743 193 HB2 ASP 25 HB3 ASP 25 10.006 7.184 -7.992 194 HB3 ASP 25 HB2 ASP 25 9.081 7.628 -6.556 195 H VAL 26 H VAL 26 8.513 3.429 -6.165 196 HA VAL 26 HA VAL 26 6.300 4.042 -4.382 197 HB VAL 26 HB VAL 26 6.706 1.814 -3.475 198 HG11 VAL 26 HG11 VAL 26 6.763 0.527 -5.691 199 HG12 VAL 26 HG12 VAL 26 6.964 2.095 -6.472 200 HG13 VAL 26 HG13 VAL 26 5.510 1.756 -5.533 201 HG21 VAL 26 HG21 VAL 26 9.297 2.051 -5.019 202 HG22 VAL 26 HG22 VAL 26 8.670 0.507 -4.443 203 HG23 VAL 26 HG23 VAL 26 9.096 1.771 -3.290 204 H ASP 27 H ASP 27 9.368 5.158 -4.354 205 HA ASP 27 HA ASP 27 9.904 4.808 -1.478 206 HB2 ASP 27 HB3 ASP 27 11.335 6.340 -3.670 207 HB3 ASP 27 HB2 ASP 27 11.885 6.268 -1.999 208 H LEU 28 H LEU 28 8.115 6.873 -3.467 209 HA LEU 28 HA LEU 28 8.354 9.193 -1.635 210 HB2 LEU 28 HB3 LEU 28 8.324 9.557 -4.103 211 HB3 LEU 28 HB2 LEU 28 6.707 8.868 -4.162 212 HG LEU 28 HG LEU 28 5.993 10.636 -2.494 213 HD11 LEU 28 HD11 LEU 28 8.840 11.466 -2.992 214 HD12 LEU 28 HD12 LEU 28 7.938 11.432 -1.477 215 HD13 LEU 28 HD13 LEU 28 7.621 12.696 -2.663 216 HD21 LEU 28 HD21 LEU 28 5.671 12.298 -4.181 217 HD22 LEU 28 HD22 LEU 28 5.724 10.756 -5.036 218 HD23 LEU 28 HD23 LEU 28 7.136 11.814 -5.036 219 H ASP 29 H ASP 29 6.725 9.722 -0.189 220 HA ASP 29 HA ASP 29 4.871 7.716 0.594 221 HB2 ASP 29 HB3 ASP 29 4.837 10.710 1.101 222 HB3 ASP 29 HB2 ASP 29 3.780 9.555 1.915 223 H LEU 30 H LEU 30 2.857 7.247 -0.065 224 HA LEU 30 HA LEU 30 1.874 8.223 -2.566 225 HB2 LEU 30 HB3 LEU 30 1.442 5.980 -1.208 226 HB3 LEU 30 HB2 LEU 30 0.061 6.887 -0.598 227 HG LEU 30 HG LEU 30 0.711 6.512 -3.530 228 HD11 LEU 30 HD11 LEU 30 -0.270 4.500 -3.354 229 HD12 LEU 30 HD12 LEU 30 -1.741 5.291 -2.787 230 HD13 LEU 30 HD13 LEU 30 -0.525 4.752 -1.628 231 HD21 LEU 30 HD21 LEU 30 -0.588 8.416 -3.518 232 HD22 LEU 30 HD22 LEU 30 -1.351 8.013 -1.981 233 HD23 LEU 30 HD23 LEU 30 -1.874 7.212 -3.462 234 H VAL 31 H VAL 31 1.027 8.950 0.800 235 HA VAL 31 HA VAL 31 -1.301 10.497 0.226 236 HB VAL 31 HB VAL 31 0.635 10.634 2.544 237 HG11 VAL 31 HG11 VAL 31 -1.778 11.640 3.407 238 HG12 VAL 31 HG12 VAL 31 -1.663 12.306 1.777 239 HG13 VAL 31 HG13 VAL 31 -0.386 12.623 2.952 240 HG21 VAL 31 HG21 VAL 31 -1.405 8.801 1.756 241 HG22 VAL 31 HG22 VAL 31 -2.007 9.696 3.152 242 HG23 VAL 31 HG23 VAL 31 -0.485 8.812 3.261 243 H ASP 32 H ASP 32 2.127 11.371 0.297 244 HA ASP 32 HA ASP 32 1.897 14.177 0.293 245 HB2 ASP 32 HB3 ASP 32 4.053 12.840 0.267 246 HB3 ASP 32 HB2 ASP 32 3.807 12.608 -1.465 247 H ASN 33 H ASN 33 1.313 11.833 -2.249 248 HA ASN 33 HA ASN 33 1.006 13.744 -4.392 249 HB2 ASN 33 HB3 ASN 33 0.055 10.907 -4.016 250 HB3 ASN 33 HB2 ASN 33 -0.176 11.810 -5.507 251 HD21 ASN 33 HD22 ASN 33 2.301 13.185 -5.667 252 HD22 ASN 33 HD21 ASN 33 3.553 12.053 -5.852 253 H GLY 34 H GLY 34 -1.179 12.308 -2.020 254 HA2 GLY 34 HA3 GLY 34 -3.252 13.239 -1.288 255 HA3 GLY 34 HA2 GLY 34 -3.182 14.383 -2.633 256 H VAL 35 H VAL 35 -2.454 11.321 -3.746 257 HA VAL 35 HA VAL 35 -4.799 11.111 -5.358 258 HB VAL 35 HB VAL 35 -2.757 9.023 -4.542 259 HG11 VAL 35 HG11 VAL 35 -4.395 7.606 -5.295 260 HG12 VAL 35 HG12 VAL 35 -3.785 8.111 -6.871 261 HG13 VAL 35 HG13 VAL 35 -5.223 8.877 -6.196 262 HG21 VAL 35 HG21 VAL 35 -1.470 9.916 -6.167 263 HG22 VAL 35 HG22 VAL 35 -2.618 11.252 -6.260 264 HG23 VAL 35 HG23 VAL 35 -2.802 9.854 -7.321 265 H ILE 36 H ILE 36 -3.970 9.801 -2.186 266 HA ILE 36 HA ILE 36 -6.439 8.204 -2.082 267 HB ILE 36 HB ILE 36 -4.377 8.795 0.063 268 HG12 ILE 36 HG13 ILE 36 -4.759 6.303 -1.619 269 HG13 ILE 36 HG12 ILE 36 -3.576 7.550 -1.981 270 HG21 ILE 36 HG21 ILE 36 -5.770 7.731 1.469 271 HG22 ILE 36 HG22 ILE 36 -5.773 6.330 0.399 272 HG23 ILE 36 HG23 ILE 36 -6.969 7.606 0.182 273 HD11 ILE 36 HD11 ILE 36 -3.644 5.618 0.309 274 HD12 ILE 36 HD12 ILE 36 -2.861 7.181 0.536 275 HD13 ILE 36 HD13 ILE 36 -2.283 6.081 -0.715 276 H ASP 37 H ASP 37 -8.322 9.165 -1.610 277 HA ASP 37 HA ASP 37 -8.315 11.584 0.136 278 HB2 ASP 37 HB3 ASP 37 -10.207 10.702 -2.061 279 HB3 ASP 37 HB2 ASP 37 -10.526 12.053 -0.980 280 H ALA 38 H ALA 38 -11.047 11.587 0.741 281 HA ALA 38 HA ALA 38 -11.170 9.681 2.883 282 HB1 ALA 38 HB1 ALA 38 -12.517 11.977 2.321 283 HB2 ALA 38 HB2 ALA 38 -13.069 10.795 3.509 284 HB3 ALA 38 HB3 ALA 38 -13.732 10.780 1.874 285 H LEU 39 H LEU 39 -13.023 9.885 -0.161 286 HA LEU 39 HA LEU 39 -14.177 7.255 0.136 287 HB2 LEU 39 HB3 LEU 39 -13.752 8.848 -2.404 288 HB3 LEU 39 HB2 LEU 39 -14.893 7.530 -2.176 289 HG LEU 39 HG LEU 39 -14.948 10.232 -0.829 290 HD11 LEU 39 HD11 LEU 39 -17.329 9.198 -2.202 291 HD12 LEU 39 HD12 LEU 39 -15.947 9.440 -3.272 292 HD13 LEU 39 HD13 LEU 39 -16.569 10.785 -2.314 293 HD21 LEU 39 HD21 LEU 39 -15.688 8.803 0.874 294 HD22 LEU 39 HD22 LEU 39 -16.400 7.659 -0.265 295 HD23 LEU 39 HD23 LEU 39 -17.195 9.203 0.047 296 H GLY 40 H GLY 40 -11.286 8.623 -1.265 297 HA2 GLY 40 HA3 GLY 40 -10.392 6.390 -2.767 298 HA3 GLY 40 HA2 GLY 40 -9.335 7.608 -2.042 299 H LEU 41 H LEU 41 -10.047 7.233 0.657 300 HA LEU 41 HA LEU 41 -8.381 5.010 1.370 301 HB2 LEU 41 HB3 LEU 41 -8.696 7.020 2.793 302 HB3 LEU 41 HB2 LEU 41 -10.373 6.547 3.065 303 HG LEU 41 HG LEU 41 -8.383 4.433 3.607 304 HD11 LEU 41 HD11 LEU 41 -8.505 7.012 5.185 305 HD12 LEU 41 HD12 LEU 41 -7.079 6.227 4.508 306 HD13 LEU 41 HD13 LEU 41 -7.915 5.503 5.882 307 HD21 LEU 41 HD21 LEU 41 -9.923 3.847 5.273 308 HD22 LEU 41 HD22 LEU 41 -10.967 4.586 4.059 309 HD23 LEU 41 HD23 LEU 41 -10.478 5.509 5.479 310 H LEU 42 H LEU 42 -11.893 5.503 1.313 311 HA LEU 42 HA LEU 42 -12.654 3.007 2.455 312 HB2 LEU 42 HB3 LEU 42 -14.247 4.852 2.040 313 HB3 LEU 42 HB2 LEU 42 -14.043 4.640 0.302 314 HG LEU 42 HG LEU 42 -14.696 2.105 1.014 315 HD11 LEU 42 HD11 LEU 42 -16.484 3.785 2.759 316 HD12 LEU 42 HD12 LEU 42 -15.010 3.065 3.402 317 HD13 LEU 42 HD13 LEU 42 -16.283 2.032 2.752 318 HD21 LEU 42 HD21 LEU 42 -15.840 3.125 -0.764 319 HD22 LEU 42 HD22 LEU 42 -16.377 4.477 0.237 320 HD23 LEU 42 HD23 LEU 42 -17.108 2.885 0.441 321 H LYS 43 H LYS 43 -12.078 3.949 -0.917 322 HA LYS 43 HA LYS 43 -12.651 1.433 -2.086 323 HB2 LYS 43 HB3 LYS 43 -10.720 3.588 -2.957 324 HB3 LYS 43 HB2 LYS 43 -11.200 2.227 -3.963 325 HG2 LYS 43 HG3 LYS 43 -13.577 2.946 -3.737 326 HG3 LYS 43 HG2 LYS 43 -13.033 4.360 -2.836 327 HD2 LYS 43 HD3 LYS 43 -11.620 5.011 -4.797 328 HD3 LYS 43 HD2 LYS 43 -12.313 3.660 -5.696 329 HE2 LYS 43 HE3 LYS 43 -13.925 5.119 -6.327 330 HE3 LYS 43 HE2 LYS 43 -14.553 4.931 -4.690 331 HZ1 LYS 43 HZ1 LYS 43 -13.310 6.814 -3.971 332 HZ2 LYS 43 HZ2 LYS 43 -14.164 7.268 -5.364 333 HZ3 LYS 43 HZ3 LYS 43 -12.502 6.932 -5.460 334 H VAL 44 H VAL 44 -9.722 2.696 -0.594 335 HA VAL 44 HA VAL 44 -7.926 0.659 -1.408 336 HB VAL 44 HB VAL 44 -8.003 2.297 1.132 337 HG11 VAL 44 HG11 VAL 44 -6.139 0.193 0.139 338 HG12 VAL 44 HG12 VAL 44 -6.543 0.645 1.795 339 HG13 VAL 44 HG13 VAL 44 -5.416 1.629 0.863 340 HG21 VAL 44 HG21 VAL 44 -6.703 3.852 0.007 341 HG22 VAL 44 HG22 VAL 44 -7.672 3.249 -1.337 342 HG23 VAL 44 HG23 VAL 44 -6.031 2.648 -1.093 343 H ILE 45 H ILE 45 -10.093 0.853 1.397 344 HA ILE 45 HA ILE 45 -9.280 -1.631 2.560 345 HB ILE 45 HB ILE 45 -12.001 -0.346 2.801 346 HG12 ILE 45 HG13 ILE 45 -10.559 1.462 3.270 347 HG13 ILE 45 HG12 ILE 45 -10.846 0.747 4.850 348 HG21 ILE 45 HG21 ILE 45 -10.300 -2.102 4.579 349 HG22 ILE 45 HG22 ILE 45 -11.849 -2.511 3.846 350 HG23 ILE 45 HG23 ILE 45 -11.770 -1.296 5.122 351 HD11 ILE 45 HD11 ILE 45 -8.727 -0.606 4.507 352 HD12 ILE 45 HD12 ILE 45 -8.491 1.129 4.708 353 HD13 ILE 45 HD13 ILE 45 -8.406 0.411 3.102 354 H ALA 46 H ALA 46 -11.890 -0.827 0.271 355 HA ALA 46 HA ALA 46 -13.131 -3.401 0.328 356 HB1 ALA 46 HB1 ALA 46 -13.806 -2.538 -2.121 357 HB2 ALA 46 HB2 ALA 46 -13.217 -1.020 -1.444 358 HB3 ALA 46 HB3 ALA 46 -14.533 -1.886 -0.652 359 H TRP 47 H TRP 47 -10.763 -2.088 -2.056 360 HA TRP 47 HA TRP 47 -10.694 -4.666 -3.425 361 HB2 TRP 47 HB3 TRP 47 -9.907 -3.346 -5.060 362 HB3 TRP 47 HB2 TRP 47 -9.701 -2.010 -3.927 363 HD1 TRP 47 HD1 TRP 47 -7.830 -5.293 -4.824 364 HE1 TRP 47 HE1 TRP 47 -5.299 -4.841 -4.609 365 HE3 TRP 47 HE3 TRP 47 -7.950 -0.453 -3.297 366 HZ2 TRP 47 HZ2 TRP 47 -3.557 -2.684 -3.877 367 HZ3 TRP 47 HZ3 TRP 47 -5.852 0.793 -2.839 368 HH2 TRP 47 HH2 TRP 47 -3.655 -0.318 -3.133 369 H LEU 48 H LEU 48 -8.398 -2.909 -1.322 370 HA LEU 48 HA LEU 48 -6.342 -4.837 -1.443 371 HB2 LEU 48 HB3 LEU 48 -6.074 -2.589 -0.430 372 HB3 LEU 48 HB2 LEU 48 -7.117 -3.063 0.902 373 HG LEU 48 HG LEU 48 -4.615 -3.166 1.360 374 HD11 LEU 48 HD11 LEU 48 -5.502 -5.947 1.752 375 HD12 LEU 48 HD12 LEU 48 -6.656 -4.736 2.309 376 HD13 LEU 48 HD13 LEU 48 -5.013 -4.741 2.936 377 HD21 LEU 48 HD21 LEU 48 -4.679 -5.740 -0.205 378 HD22 LEU 48 HD22 LEU 48 -3.282 -4.842 0.389 379 HD23 LEU 48 HD23 LEU 48 -4.211 -4.221 -0.973 380 H GLU 49 H GLU 49 -9.127 -4.647 0.793 381 HA GLU 49 HA GLU 49 -8.340 -6.989 2.277 382 HB2 GLU 49 HB3 GLU 49 -10.464 -6.832 3.335 383 HB3 GLU 49 HB2 GLU 49 -9.982 -5.172 3.015 384 HG2 GLU 49 HG3 GLU 49 -12.146 -5.136 2.194 385 HG3 GLU 49 HG2 GLU 49 -11.261 -5.596 0.743 386 H ASP 50 H ASP 50 -10.388 -6.459 -0.567 387 HA ASP 50 HA ASP 50 -11.477 -9.094 -0.723 388 HB2 ASP 50 HB3 ASP 50 -12.234 -7.090 -2.042 389 HB3 ASP 50 HB2 ASP 50 -10.794 -7.283 -3.038 390 H ARG 51 H ARG 51 -8.447 -7.732 -1.941 391 HA ARG 51 HA ARG 51 -7.650 -9.910 -3.566 392 HB2 ARG 51 HB3 ARG 51 -6.081 -7.841 -2.047 393 HB3 ARG 51 HB2 ARG 51 -5.311 -9.023 -3.099 394 HG2 ARG 51 HG3 ARG 51 -7.631 -7.457 -4.157 395 HG3 ARG 51 HG2 ARG 51 -6.054 -6.670 -4.056 396 HD2 ARG 51 HD3 ARG 51 -5.098 -8.074 -5.623 397 HD3 ARG 51 HD2 ARG 51 -6.180 -9.412 -5.240 398 HE ARG 51 HE ARG 51 -7.840 -7.481 -6.356 399 HH11 ARG 51 HH22 ARG 51 -4.943 -9.135 -7.222 400 HH12 ARG 51 HH21 ARG 51 -5.267 -9.092 -8.923 401 HH21 ARG 51 HH11 ARG 51 -8.283 -7.414 -8.571 402 HH22 ARG 51 HH12 ARG 51 -7.159 -8.117 -9.687 403 H PHE 52 H PHE 52 -7.168 -9.410 -0.061 404 HA PHE 52 HA PHE 52 -5.727 -11.994 0.036 405 HB2 PHE 52 HB3 PHE 52 -6.182 -9.814 2.087 406 HB3 PHE 52 HB2 PHE 52 -5.370 -11.335 2.447 407 HD1 PHE 52 HD2 PHE 52 -5.215 -8.245 0.407 408 HD2 PHE 52 HD1 PHE 52 -3.141 -11.791 1.663 409 HE1 PHE 52 HE2 PHE 52 -3.108 -7.355 -0.555 410 HE2 PHE 52 HE1 PHE 52 -1.036 -10.903 0.697 411 HZ PHE 52 HZ PHE 52 -1.020 -8.684 -0.411 412 H GLY 53 H GLY 53 -8.892 -10.897 0.288 413 HA2 GLY 53 HA3 GLY 53 -10.838 -12.064 0.899 414 HA3 GLY 53 HA2 GLY 53 -9.821 -13.477 1.204 415 H ILE 54 H ILE 54 -9.227 -10.363 2.692 416 HA ILE 54 HA ILE 54 -9.869 -11.614 5.319 417 HB ILE 54 HB ILE 54 -8.290 -9.990 6.273 418 HG12 ILE 54 HG13 ILE 54 -7.991 -9.085 3.389 419 HG13 ILE 54 HG12 ILE 54 -8.713 -8.146 4.696 420 HG21 ILE 54 HG21 ILE 54 -7.435 -12.150 5.416 421 HG22 ILE 54 HG22 ILE 54 -6.240 -10.867 5.224 422 HG23 ILE 54 HG23 ILE 54 -7.179 -11.414 3.835 423 HD11 ILE 54 HD11 ILE 54 -6.534 -8.287 5.925 424 HD12 ILE 54 HD12 ILE 54 -6.418 -7.413 4.397 425 HD13 ILE 54 HD13 ILE 54 -5.835 -9.075 4.510 426 H ALA 55 H ALA 55 -10.982 -10.319 6.900 427 HA ALA 55 HA ALA 55 -12.712 -8.234 5.654 428 HB1 ALA 55 HB1 ALA 55 -14.393 -8.857 7.123 429 HB2 ALA 55 HB2 ALA 55 -13.256 -9.377 8.367 430 HB3 ALA 55 HB3 ALA 55 -13.547 -10.396 6.958 431 H ALA 56 H ALA 56 -13.142 -6.280 6.904 432 HA ALA 56 HA ALA 56 -10.819 -5.058 7.982 433 HB1 ALA 56 HB1 ALA 56 -13.412 -4.239 7.340 434 HB2 ALA 56 HB2 ALA 56 -12.125 -3.212 7.971 435 HB3 ALA 56 HB3 ALA 56 -13.287 -3.948 9.074 436 H ASP 57 H ASP 57 -13.243 -7.080 9.461 437 HA ASP 57 HA ASP 57 -13.443 -7.940 11.612 438 HB2 ASP 57 HB3 ASP 57 -11.072 -8.578 11.168 439 HB3 ASP 57 HB2 ASP 57 -10.569 -7.050 11.876 440 H ASP 58 H ASP 58 -14.301 -5.290 11.152 441 HA ASP 58 HA ASP 58 -14.921 -3.365 12.324 442 HB2 ASP 58 HB3 ASP 58 -14.368 -5.295 14.568 443 HB3 ASP 58 HB2 ASP 58 -15.097 -3.710 14.821 444 H VAL 59 H VAL 59 -12.277 -3.287 11.427 445 HA VAL 59 HA VAL 59 -10.903 -1.889 13.690 446 HB VAL 59 HB VAL 59 -9.618 -3.306 11.348 447 HG11 VAL 59 HG11 VAL 59 -8.504 -1.874 13.773 448 HG12 VAL 59 HG12 VAL 59 -8.258 -1.450 12.078 449 HG13 VAL 59 HG13 VAL 59 -7.539 -2.922 12.732 450 HG21 VAL 59 HG21 VAL 59 -8.773 -4.814 13.233 451 HG22 VAL 59 HG22 VAL 59 -10.478 -4.981 12.819 452 HG23 VAL 59 HG23 VAL 59 -10.005 -4.066 14.250 453 H GLU 60 H GLU 60 -10.348 0.227 13.294 454 HA GLU 60 HA GLU 60 -11.001 1.280 10.584 455 HB2 GLU 60 HB3 GLU 60 -12.129 2.295 12.579 456 HB3 GLU 60 HB2 GLU 60 -10.550 2.811 13.159 457 HG2 GLU 60 HG3 GLU 60 -10.220 4.062 11.040 458 HG3 GLU 60 HG2 GLU 60 -11.851 3.615 10.555 459 H LEU 61 H LEU 61 -9.392 2.077 9.298 460 HA LEU 61 HA LEU 61 -6.632 2.005 10.352 461 HB2 LEU 61 HB3 LEU 61 -7.623 2.416 7.516 462 HB3 LEU 61 HB2 LEU 61 -5.967 2.098 8.010 463 HG LEU 61 HG LEU 61 -8.318 0.232 8.330 464 HD11 LEU 61 HD11 LEU 61 -7.579 -0.836 6.468 465 HD12 LEU 61 HD12 LEU 61 -5.887 -0.645 6.925 466 HD13 LEU 61 HD13 LEU 61 -6.738 0.675 6.123 467 HD21 LEU 61 HD21 LEU 61 -5.529 0.218 9.437 468 HD22 LEU 61 HD22 LEU 61 -6.284 -1.317 9.005 469 HD23 LEU 61 HD23 LEU 61 -7.036 -0.273 10.210 470 H SER 62 H SER 62 -5.268 3.853 10.258 471 HA SER 62 HA SER 62 -6.749 6.424 10.013 472 HB2 SER 62 HB3 SER 62 -5.722 6.860 11.976 473 HB3 SER 62 HB2 SER 62 -4.729 5.412 11.836 474 HG SER 62 HG SER 62 -3.340 6.603 10.465 475 HA PRO 63 HA PRO 63 -4.711 7.725 6.359 476 HB2 PRO 63 HB2 PRO 63 -3.473 10.090 7.371 477 HB3 PRO 63 HB3 PRO 63 -5.018 9.969 6.513 478 HG2 PRO 63 HG3 PRO 63 -4.480 10.229 9.391 479 HG3 PRO 63 HG2 PRO 63 -5.919 10.671 8.462 480 HD2 PRO 63 HD3 PRO 63 -5.857 8.521 10.137 481 HD3 PRO 63 HD2 PRO 63 -6.872 8.571 8.678 482 H GLU 64 H GLU 64 -2.959 7.369 9.323 483 HA GLU 64 HA GLU 64 -0.289 7.706 8.314 484 HB2 GLU 64 HB3 GLU 64 -0.831 7.785 10.723 485 HB3 GLU 64 HB2 GLU 64 -1.280 6.088 10.667 486 HG2 GLU 64 HG3 GLU 64 1.004 5.517 9.942 487 HG3 GLU 64 HG2 GLU 64 1.452 7.215 10.060 488 H HIS 65 H HIS 65 -2.542 5.021 8.434 489 HA HIS 65 HA HIS 65 -0.651 2.965 7.801 490 HB2 HIS 65 HB3 HIS 65 -2.666 2.087 8.541 491 HB3 HIS 65 HB2 HIS 65 -3.621 3.263 7.642 492 HD1 HIS 65 HD1 HIS 65 -2.531 -0.186 7.504 493 HD2 HIS 65 HD2 HIS 65 -3.436 2.743 4.677 494 HE1 HIS 65 HE1 HIS 65 -2.950 -1.400 5.318 495 HE2 HIS 65 HE2 HIS 65 -3.493 0.374 3.592 496 H PHE 66 H PHE 66 -2.035 5.502 6.001 497 HA PHE 66 HA PHE 66 -1.361 4.203 3.416 498 HB2 PHE 66 HB3 PHE 66 -2.727 6.871 3.822 499 HB3 PHE 66 HB2 PHE 66 -2.731 5.861 2.379 500 HD1 PHE 66 HD1 PHE 66 -3.708 5.763 5.996 501 HD2 PHE 66 HD2 PHE 66 -4.505 4.371 2.013 502 HE1 PHE 66 HE1 PHE 66 -5.741 4.612 6.811 503 HE2 PHE 66 HE2 PHE 66 -6.541 3.215 2.832 504 HZ PHE 66 HZ PHE 66 -7.155 3.344 5.231 505 H ARG 67 H ARG 67 0.350 5.564 5.620 506 HA ARG 67 HA ARG 67 1.514 7.941 4.828 507 HB2 ARG 67 HB3 ARG 67 3.559 7.111 5.915 508 HB3 ARG 67 HB2 ARG 67 2.133 6.655 6.842 509 HG2 ARG 67 HG3 ARG 67 2.339 4.527 5.159 510 HG3 ARG 67 HG2 ARG 67 4.036 4.955 5.342 511 HD2 ARG 67 HD3 ARG 67 3.277 5.085 7.934 512 HD3 ARG 67 HD2 ARG 67 2.118 3.892 7.351 513 HE ARG 67 HE ARG 67 4.704 3.167 6.406 514 HH11 ARG 67 HH22 ARG 67 2.838 3.464 9.290 515 HH12 ARG 67 HH21 ARG 67 3.678 2.200 10.123 516 HH21 ARG 67 HH11 ARG 67 5.812 1.512 7.478 517 HH22 ARG 67 HH12 ARG 67 5.361 1.094 9.097 518 H SER 68 H SER 68 2.098 4.711 3.438 519 HA SER 68 HA SER 68 2.973 5.924 0.950 520 HB2 SER 68 HB3 SER 68 5.249 5.110 0.935 521 HB3 SER 68 HB2 SER 68 5.036 6.077 2.390 522 HG SER 68 HG SER 68 4.613 3.280 2.348 523 H ILE 69 H ILE 69 3.369 4.278 -0.712 524 HA ILE 69 HA ILE 69 1.546 2.120 -0.638 525 HB ILE 69 HB ILE 69 4.068 2.272 -2.313 526 HG12 ILE 69 HG13 ILE 69 2.019 3.294 -3.842 527 HG13 ILE 69 HG12 ILE 69 1.655 3.959 -2.252 528 HG21 ILE 69 HG21 ILE 69 1.329 1.142 -2.924 529 HG22 ILE 69 HG22 ILE 69 2.681 0.173 -2.338 530 HG23 ILE 69 HG23 ILE 69 2.787 0.981 -3.902 531 HD11 ILE 69 HD11 ILE 69 3.111 5.570 -3.093 532 HD12 ILE 69 HD12 ILE 69 4.078 4.384 -3.968 533 HD13 ILE 69 HD13 ILE 69 4.227 4.525 -2.216 534 H ARG 70 H ARG 70 4.953 2.378 0.188 535 HA ARG 70 HA ARG 70 5.608 -0.365 0.474 536 HB2 ARG 70 HB3 ARG 70 6.528 1.968 2.187 537 HB3 ARG 70 HB2 ARG 70 7.362 0.426 2.001 538 HG2 ARG 70 HG3 ARG 70 8.017 0.894 -0.187 539 HG3 ARG 70 HG2 ARG 70 6.721 2.067 -0.431 540 HD2 ARG 70 HD3 ARG 70 8.852 3.244 -0.182 541 HD3 ARG 70 HD2 ARG 70 7.822 3.587 1.206 542 HE ARG 70 HE ARG 70 9.602 1.319 1.646 543 HH11 ARG 70 HH22 ARG 70 9.222 4.744 1.665 544 HH12 ARG 70 HH21 ARG 70 10.466 5.009 2.841 545 HH21 ARG 70 HH11 ARG 70 11.229 1.645 3.181 546 HH22 ARG 70 HH12 ARG 70 11.602 3.255 3.699 547 H SER 71 H SER 71 4.133 1.925 2.745 548 HA SER 71 HA SER 71 3.990 0.135 4.977 549 HB2 SER 71 HB3 SER 71 3.678 2.669 4.990 550 HB3 SER 71 HB2 SER 71 2.051 2.379 4.384 551 HG SER 71 HG SER 71 1.551 2.043 6.391 552 H ILE 72 H ILE 72 1.742 0.814 2.306 553 HA ILE 72 HA ILE 72 -0.481 -0.631 3.284 554 HB ILE 72 HB ILE 72 0.452 -0.332 0.414 555 HG12 ILE 72 HG13 ILE 72 -1.423 1.396 2.065 556 HG13 ILE 72 HG12 ILE 72 0.240 1.822 1.660 557 HG21 ILE 72 HG21 ILE 72 -2.386 -0.314 0.788 558 HG22 ILE 72 HG22 ILE 72 -1.723 -1.742 1.580 559 HG23 ILE 72 HG23 ILE 72 -1.410 -1.459 -0.131 560 HD11 ILE 72 HD11 ILE 72 -2.173 1.952 -0.002 561 HD12 ILE 72 HD12 ILE 72 -0.827 1.137 -0.798 562 HD13 ILE 72 HD13 ILE 72 -0.629 2.783 -0.196 563 H ASP 73 H ASP 73 2.155 -1.756 1.130 564 HA ASP 73 HA ASP 73 1.282 -4.478 1.037 565 HB2 ASP 73 HB3 ASP 73 3.070 -3.322 -0.412 566 HB3 ASP 73 HB2 ASP 73 4.173 -3.601 0.932 567 H ALA 74 H ALA 74 3.460 -2.735 3.209 568 HA ALA 74 HA ALA 74 4.264 -5.006 4.763 569 HB1 ALA 74 HB1 ALA 74 4.763 -2.213 4.724 570 HB2 ALA 74 HB2 ALA 74 5.604 -3.443 5.667 571 HB3 ALA 74 HB3 ALA 74 4.205 -2.611 6.350 572 H PHE 75 H PHE 75 1.561 -2.728 5.044 573 HA PHE 75 HA PHE 75 0.655 -3.532 7.617 574 HB2 PHE 75 HB3 PHE 75 -0.195 -1.545 6.363 575 HB3 PHE 75 HB2 PHE 75 -1.048 -2.646 5.285 576 HD1 PHE 75 HD2 PHE 75 -0.848 -1.347 8.735 577 HD2 PHE 75 HD1 PHE 75 -3.018 -3.863 6.012 578 HE1 PHE 75 HE2 PHE 75 -2.722 -1.483 10.354 579 HE2 PHE 75 HE1 PHE 75 -4.891 -3.999 7.631 580 HZ PHE 75 HZ PHE 75 -4.743 -2.810 9.803 581 H VAL 76 H VAL 76 -0.321 -4.727 4.385 582 HA VAL 76 HA VAL 76 -2.100 -6.738 5.393 583 HB VAL 76 HB VAL 76 -0.576 -6.553 2.780 584 HG11 VAL 76 HG11 VAL 76 -2.941 -8.002 2.444 585 HG12 VAL 76 HG12 VAL 76 -2.241 -8.630 3.934 586 HG13 VAL 76 HG13 VAL 76 -1.303 -8.653 2.442 587 HG21 VAL 76 HG21 VAL 76 -2.033 -4.847 2.453 588 HG22 VAL 76 HG22 VAL 76 -2.987 -5.284 3.871 589 HG23 VAL 76 HG23 VAL 76 -3.271 -6.097 2.332 590 H VAL 77 H VAL 77 1.306 -6.884 4.305 591 HA VAL 77 HA VAL 77 1.629 -9.681 4.835 592 HB VAL 77 HB VAL 77 3.678 -7.444 4.771 593 HG11 VAL 77 HG11 VAL 77 3.980 -10.444 4.484 594 HG12 VAL 77 HG12 VAL 77 4.516 -9.481 5.861 595 HG13 VAL 77 HG13 VAL 77 5.272 -9.262 4.283 596 HG21 VAL 77 HG21 VAL 77 2.031 -8.293 2.734 597 HG22 VAL 77 HG22 VAL 77 3.450 -9.316 2.508 598 HG23 VAL 77 HG23 VAL 77 3.619 -7.561 2.501 599 H GLY 78 H GLY 78 2.208 -6.761 6.756 600 HA2 GLY 78 HA3 GLY 78 3.459 -7.981 8.990 601 HA3 GLY 78 HA2 GLY 78 2.545 -6.479 9.052 602 H ALA 79 H ALA 79 0.025 -7.576 8.192 603 HA ALA 79 HA ALA 79 -0.924 -8.539 10.750 604 HB1 ALA 79 HB1 ALA 79 -2.405 -7.164 9.470 605 HB2 ALA 79 HB2 ALA 79 -3.115 -8.779 9.490 606 HB3 ALA 79 HB3 ALA 79 -2.256 -8.210 8.058 607 H THR 80 H THR 80 -0.464 -10.103 7.577 608 HA THR 80 HA THR 80 -1.432 -12.663 8.628 609 HB THR 80 HB THR 80 -0.979 -13.525 6.406 610 HG1 THR 80 HG1 THR 80 1.034 -12.442 6.156 611 HG21 THR 80 HG21 THR 80 -2.991 -12.150 6.612 612 HG22 THR 80 HG22 THR 80 -2.253 -11.887 5.033 613 HG23 THR 80 HG23 THR 80 -2.049 -10.690 6.311 614 H THR 81 H THR 81 1.645 -11.149 7.858 615 HA THR 81 HA THR 81 2.998 -13.364 9.302 616 HB THR 81 HB THR 81 4.894 -12.633 7.531 617 HG1 THR 81 HG1 THR 81 2.725 -12.715 5.829 618 HG21 THR 81 HG21 THR 81 4.247 -14.633 6.235 619 HG22 THR 81 HG22 THR 81 2.666 -14.615 7.019 620 HG23 THR 81 HG23 THR 81 4.119 -14.926 7.970 621 HA PRO 82 HA PRO 82 4.958 -10.338 11.849 622 HB2 PRO 82 HB2 PRO 82 7.573 -11.339 10.825 623 HB3 PRO 82 HB3 PRO 82 7.032 -11.119 12.497 624 HG2 PRO 82 HG3 PRO 82 7.165 -13.533 11.288 625 HG3 PRO 82 HG2 PRO 82 6.015 -13.147 12.577 626 HD2 PRO 82 HD3 PRO 82 5.493 -13.620 9.720 627 HD3 PRO 82 HD2 PRO 82 4.358 -13.610 11.086 628 HA PRO 83 HA PRO 83 5.670 -7.017 8.967 629 HB2 PRO 83 HB2 PRO 83 7.158 -5.343 10.641 630 HB3 PRO 83 HB3 PRO 83 5.395 -5.375 10.490 631 HG2 PRO 83 HG3 PRO 83 7.133 -6.504 12.583 632 HG3 PRO 83 HG2 PRO 83 5.459 -5.940 12.684 633 HD2 PRO 83 HD3 PRO 83 6.180 -8.595 12.676 634 HD3 PRO 83 HD2 PRO 83 4.596 -8.000 12.135 635 H VAL 84 H VAL 84 7.219 -6.464 7.495 636 HA VAL 84 HA VAL 84 9.962 -7.543 7.967 637 HB VAL 84 HB VAL 84 8.643 -6.720 5.360 638 HG11 VAL 84 HG11 VAL 84 10.629 -8.337 4.622 639 HG12 VAL 84 HG12 VAL 84 11.332 -7.772 6.138 640 HG13 VAL 84 HG13 VAL 84 10.902 -6.614 4.879 641 HG21 VAL 84 HG21 VAL 84 9.295 -9.557 5.956 642 HG22 VAL 84 HG22 VAL 84 7.920 -8.879 5.084 643 HG23 VAL 84 HG23 VAL 84 7.933 -8.877 6.848 644 H GLU 85 H GLU 85 11.600 -6.098 8.253 645 HA GLU 85 HA GLU 85 12.516 -3.947 8.679 646 HB2 GLU 85 HB3 GLU 85 11.692 -3.781 5.763 647 HB3 GLU 85 HB2 GLU 85 12.872 -2.728 6.546 648 HG2 GLU 85 HG3 GLU 85 14.239 -4.724 7.118 649 HG3 GLU 85 HG2 GLU 85 13.085 -5.739 6.251 650 H ALA 86 H ALA 86 9.775 -4.038 9.502 651 HA ALA 86 HA ALA 86 8.072 -2.069 8.476 652 HB1 ALA 86 HB1 ALA 86 8.482 -3.325 11.124 653 HB2 ALA 86 HB2 ALA 86 6.996 -3.102 10.202 654 HB3 ALA 86 HB3 ALA 86 7.653 -1.770 11.152 655 H LYS 87 H LYS 87 7.885 0.171 8.755 656 HA LYS 87 HA LYS 87 10.264 1.695 9.004 657 HB2 LYS 87 HB3 LYS 87 7.379 2.546 9.406 658 HB3 LYS 87 HB2 LYS 87 8.736 3.656 9.213 659 HG2 LYS 87 HG3 LYS 87 9.233 2.597 7.003 660 HG3 LYS 87 HG2 LYS 87 7.783 1.609 7.189 661 HD2 LYS 87 HD3 LYS 87 6.440 3.713 7.405 662 HD3 LYS 87 HD2 LYS 87 7.902 4.636 7.052 663 HE2 LYS 87 HE3 LYS 87 6.322 2.832 5.244 664 HE3 LYS 87 HE2 LYS 87 6.953 4.448 4.929 665 HZ1 LYS 87 HZ1 LYS 87 8.650 2.043 5.302 666 HZ2 LYS 87 HZ2 LYS 87 9.161 3.586 4.819 667 HZ3 LYS 87 HZ3 LYS 87 8.185 2.654 3.787 668 H LEU 88 H LEU 88 7.883 0.705 11.413 669 HA LEU 88 HA LEU 88 9.180 2.337 13.502 670 HB2 LEU 88 HB3 LEU 88 6.965 0.279 13.758 671 HB3 LEU 88 HB2 LEU 88 7.437 1.470 14.970 672 HG LEU 88 HG LEU 88 6.287 2.061 12.228 673 HD11 LEU 88 HD11 LEU 88 4.280 2.156 13.250 674 HD12 LEU 88 HD12 LEU 88 4.923 3.183 14.532 675 HD13 LEU 88 HD13 LEU 88 5.040 1.429 14.665 676 HD21 LEU 88 HD21 LEU 88 7.716 3.872 12.593 677 HD22 LEU 88 HD22 LEU 88 7.558 3.771 14.347 678 HD23 LEU 88 HD23 LEU 88 6.242 4.436 13.380 679 H GLN 89 H GLN 89 10.470 1.490 15.143 680 HA GLN 89 HA GLN 89 11.217 -1.398 14.867 681 HB2 GLN 89 HB3 GLN 89 13.010 0.209 14.176 682 HB3 GLN 89 HB2 GLN 89 12.984 0.880 15.807 683 HG2 GLN 89 HG3 GLN 89 13.487 -1.404 16.701 684 HG3 GLN 89 HG2 GLN 89 13.655 -1.975 15.040 685 HE21 GLN 89 HE22 GLN 89 15.802 -2.013 14.386 686 HE22 GLN 89 HE21 GLN 89 17.000 -0.923 14.893 Start of MODEL 13 1 H1 SER -1 H1 SER -1 11.898 -8.102 -0.299 2 H2 SER -1 H2 SER -1 12.507 -9.672 -0.517 3 H3 SER -1 H3 SER -1 11.960 -9.175 1.012 4 HA SER -1 HA SER -1 10.272 -9.498 -1.411 5 HB2 SER -1 HB3 SER -1 9.407 -11.465 -0.363 6 HB3 SER -1 HB2 SER -1 11.160 -11.599 -0.258 7 HG SER -1 HG SER -1 9.498 -10.509 1.771 8 H GLU 0 H GLU 0 10.795 -7.517 1.113 9 HA GLU 0 HA GLU 0 8.365 -7.440 2.575 10 HB2 GLU 0 HB3 GLU 0 10.428 -6.117 3.115 11 HB3 GLU 0 HB2 GLU 0 10.051 -5.056 1.756 12 HG2 GLU 0 HG3 GLU 0 7.839 -4.566 2.796 13 HG3 GLU 0 HG2 GLU 0 8.305 -5.545 4.187 14 H MET 1 H MET 1 9.190 -6.171 -0.612 15 HA MET 1 HA MET 1 6.956 -4.473 -1.014 16 HB2 MET 1 HB3 MET 1 8.477 -6.204 -2.983 17 HB3 MET 1 HB2 MET 1 7.304 -4.973 -3.450 18 HG2 MET 1 HG3 MET 1 8.659 -3.282 -2.188 19 HG3 MET 1 HG2 MET 1 9.872 -4.529 -1.904 20 HE1 MET 1 HE1 MET 1 9.651 -6.113 -5.012 21 HE2 MET 1 HE2 MET 1 10.695 -6.004 -3.588 22 HE3 MET 1 HE3 MET 1 11.290 -5.488 -5.165 23 H GLN 2 H GLN 2 7.271 -7.984 -1.319 24 HA GLN 2 HA GLN 2 5.645 -9.618 -1.811 25 HB2 GLN 2 HB3 GLN 2 5.044 -8.813 0.501 26 HB3 GLN 2 HB2 GLN 2 3.883 -7.713 -0.245 27 HG2 GLN 2 HG3 GLN 2 2.657 -9.683 0.369 28 HG3 GLN 2 HG2 GLN 2 2.860 -9.741 -1.382 29 HE21 GLN 2 HE22 GLN 2 3.249 -11.892 -1.941 30 HE22 GLN 2 HE21 GLN 2 4.321 -12.927 -1.128 31 H HIS 3 H HIS 3 5.730 -8.818 -4.126 32 HA HIS 3 HA HIS 3 4.611 -8.269 -6.108 33 HB2 HIS 3 HB3 HIS 3 2.099 -8.500 -4.427 34 HB3 HIS 3 HB2 HIS 3 2.227 -8.660 -6.177 35 HD1 HIS 3 HD1 HIS 3 4.093 -10.658 -6.881 36 HD2 HIS 3 HD2 HIS 3 2.173 -10.964 -3.190 37 HE1 HIS 3 HE1 HIS 3 4.320 -13.076 -6.151 38 HE2 HIS 3 HE2 HIS 3 3.154 -13.271 -3.907 39 H ALA 4 H ALA 4 5.664 -6.056 -5.155 40 HA ALA 4 HA ALA 4 3.919 -3.985 -4.271 41 HB1 ALA 4 HB1 ALA 4 5.782 -2.623 -5.732 42 HB2 ALA 4 HB2 ALA 4 6.623 -4.146 -5.453 43 HB3 ALA 4 HB3 ALA 4 6.047 -3.191 -4.085 44 H SER 5 H SER 5 4.683 -5.197 -7.501 45 HA SER 5 HA SER 5 3.546 -3.101 -9.034 46 HB2 SER 5 HB3 SER 5 4.871 -5.035 -9.942 47 HB3 SER 5 HB2 SER 5 3.458 -6.057 -9.695 48 HG SER 5 HG SER 5 3.277 -3.636 -11.130 49 H VAL 6 H VAL 6 2.019 -5.911 -7.495 50 HA VAL 6 HA VAL 6 -0.575 -5.534 -8.642 51 HB VAL 6 HB VAL 6 0.279 -6.774 -6.023 52 HG11 VAL 6 HG11 VAL 6 -2.016 -6.208 -5.737 53 HG12 VAL 6 HG12 VAL 6 -2.014 -7.901 -6.235 54 HG13 VAL 6 HG13 VAL 6 -2.404 -6.639 -7.403 55 HG21 VAL 6 HG21 VAL 6 0.053 -8.872 -7.206 56 HG22 VAL 6 HG22 VAL 6 1.073 -7.815 -8.181 57 HG23 VAL 6 HG23 VAL 6 -0.618 -8.057 -8.618 58 H ILE 7 H ILE 7 0.847 -4.401 -5.590 59 HA ILE 7 HA ILE 7 -1.442 -2.986 -4.638 60 HB ILE 7 HB ILE 7 1.495 -2.342 -4.232 61 HG12 ILE 7 HG13 ILE 7 -0.350 -4.002 -2.487 62 HG13 ILE 7 HG12 ILE 7 0.751 -4.708 -3.669 63 HG21 ILE 7 HG21 ILE 7 -1.011 -1.601 -2.695 64 HG22 ILE 7 HG22 ILE 7 0.096 -0.500 -3.516 65 HG23 ILE 7 HG23 ILE 7 0.623 -1.370 -2.075 66 HD11 ILE 7 HD11 ILE 7 2.332 -2.902 -2.218 67 HD12 ILE 7 HD12 ILE 7 2.345 -4.659 -2.076 68 HD13 ILE 7 HD13 ILE 7 1.328 -3.696 -1.005 69 H ALA 8 H ALA 8 1.336 -1.928 -6.593 70 HA ALA 8 HA ALA 8 0.526 0.788 -6.897 71 HB1 ALA 8 HB1 ALA 8 2.086 0.846 -8.774 72 HB2 ALA 8 HB2 ALA 8 2.095 -0.916 -8.855 73 HB3 ALA 8 HB3 ALA 8 2.794 -0.094 -7.460 74 H GLN 9 H GLN 9 -0.300 -2.153 -8.672 75 HA GLN 9 HA GLN 9 -1.591 -0.916 -10.888 76 HB2 GLN 9 HB3 GLN 9 -0.988 -3.348 -10.714 77 HB3 GLN 9 HB2 GLN 9 -2.342 -3.551 -9.601 78 HG2 GLN 9 HG3 GLN 9 -3.873 -2.661 -11.358 79 HG3 GLN 9 HG2 GLN 9 -2.507 -2.587 -12.472 80 HE21 GLN 9 HE22 GLN 9 -4.915 -4.679 -11.121 81 HE22 GLN 9 HE21 GLN 9 -4.359 -6.123 -11.819 82 H PHE 10 H PHE 10 -2.877 -1.891 -7.703 83 HA PHE 10 HA PHE 10 -5.596 -1.200 -8.344 84 HB2 PHE 10 HB3 PHE 10 -4.125 -1.536 -5.737 85 HB3 PHE 10 HB2 PHE 10 -5.814 -1.035 -5.788 86 HD1 PHE 10 HD1 PHE 10 -7.467 -2.513 -7.087 87 HD2 PHE 10 HD2 PHE 10 -3.547 -3.816 -5.914 88 HE1 PHE 10 HE1 PHE 10 -8.181 -4.875 -7.329 89 HE2 PHE 10 HE2 PHE 10 -4.261 -6.179 -6.161 90 HZ PHE 10 HZ PHE 10 -6.577 -6.708 -6.863 91 H VAL 11 H VAL 11 -3.115 0.619 -6.500 92 HA VAL 11 HA VAL 11 -4.798 2.918 -6.161 93 HB VAL 11 HB VAL 11 -2.691 4.105 -5.613 94 HG11 VAL 11 HG11 VAL 11 -1.950 2.491 -3.793 95 HG12 VAL 11 HG12 VAL 11 -3.076 1.325 -4.487 96 HG13 VAL 11 HG13 VAL 11 -3.677 2.846 -3.827 97 HG21 VAL 11 HG21 VAL 11 -1.038 3.328 -7.051 98 HG22 VAL 11 HG22 VAL 11 -1.557 1.652 -6.890 99 HG23 VAL 11 HG23 VAL 11 -0.651 2.421 -5.588 100 H VAL 12 H VAL 12 -2.443 2.004 -8.651 101 HA VAL 12 HA VAL 12 -2.500 4.487 -10.074 102 HB VAL 12 HB VAL 12 -1.995 1.669 -11.052 103 HG11 VAL 12 HG11 VAL 12 -1.436 4.342 -12.368 104 HG12 VAL 12 HG12 VAL 12 -2.602 3.139 -12.924 105 HG13 VAL 12 HG13 VAL 12 -0.877 2.781 -12.968 106 HG21 VAL 12 HG21 VAL 12 -0.522 3.030 -9.261 107 HG22 VAL 12 HG22 VAL 12 0.142 3.720 -10.742 108 HG23 VAL 12 HG23 VAL 12 0.211 1.979 -10.473 109 H GLU 13 H GLU 13 -4.407 1.487 -10.461 110 HA GLU 13 HA GLU 13 -6.034 2.604 -12.589 111 HB2 GLU 13 HB3 GLU 13 -6.379 0.172 -10.834 112 HB3 GLU 13 HB2 GLU 13 -7.426 0.565 -12.189 113 HG2 GLU 13 HG3 GLU 13 -5.453 0.564 -13.689 114 HG3 GLU 13 HG2 GLU 13 -4.450 0.078 -12.329 115 H GLU 14 H GLU 14 -6.056 2.840 -9.175 116 HA GLU 14 HA GLU 14 -8.855 3.133 -8.700 117 HB2 GLU 14 HB3 GLU 14 -7.115 2.847 -6.922 118 HB3 GLU 14 HB2 GLU 14 -6.599 4.507 -7.218 119 HG2 GLU 14 HG3 GLU 14 -8.921 5.278 -6.714 120 HG3 GLU 14 HG2 GLU 14 -9.351 3.617 -6.309 121 H PHE 15 H PHE 15 -6.420 5.452 -9.827 122 HA PHE 15 HA PHE 15 -8.618 7.243 -10.630 123 HB2 PHE 15 HB3 PHE 15 -8.089 7.889 -8.273 124 HB3 PHE 15 HB2 PHE 15 -6.435 8.238 -8.779 125 HD1 PHE 15 HD1 PHE 15 -9.988 9.215 -9.200 126 HD2 PHE 15 HD2 PHE 15 -5.894 10.222 -10.022 127 HE1 PHE 15 HE1 PHE 15 -10.695 11.468 -9.960 128 HE2 PHE 15 HE2 PHE 15 -6.601 12.475 -10.782 129 HZ PHE 15 HZ PHE 15 -9.000 13.098 -10.751 130 H LEU 16 H LEU 16 -5.332 6.180 -10.839 131 HA LEU 16 HA LEU 16 -4.904 8.048 -13.138 132 HB2 LEU 16 HB3 LEU 16 -3.123 7.146 -10.923 133 HB3 LEU 16 HB2 LEU 16 -2.396 7.378 -12.510 134 HG LEU 16 HG LEU 16 -4.216 9.488 -11.395 135 HD11 LEU 16 HD11 LEU 16 -1.429 8.822 -10.515 136 HD12 LEU 16 HD12 LEU 16 -2.784 9.433 -9.565 137 HD13 LEU 16 HD13 LEU 16 -1.898 10.517 -10.637 138 HD21 LEU 16 HD21 LEU 16 -3.145 10.877 -12.943 139 HD22 LEU 16 HD22 LEU 16 -3.127 9.330 -13.790 140 HD23 LEU 16 HD23 LEU 16 -1.680 9.895 -12.958 141 HA PRO 17 HA PRO 17 -4.766 3.706 -14.719 142 HB2 PRO 17 HB2 PRO 17 -6.462 4.070 -16.816 143 HB3 PRO 17 HB3 PRO 17 -7.021 3.694 -15.175 144 HG2 PRO 17 HG3 PRO 17 -7.049 6.263 -16.640 145 HG3 PRO 17 HG2 PRO 17 -8.167 5.642 -15.418 146 HD2 PRO 17 HD3 PRO 17 -6.134 7.522 -14.968 147 HD3 PRO 17 HD2 PRO 17 -6.993 6.605 -13.714 148 H ASP 18 H ASP 18 -4.141 6.812 -16.137 149 HA ASP 18 HA ASP 18 -2.941 5.650 -18.563 150 HB2 ASP 18 HB3 ASP 18 -2.564 7.970 -19.220 151 HB3 ASP 18 HB2 ASP 18 -4.226 7.774 -18.676 152 H VAL 19 H VAL 19 -1.909 5.634 -15.531 153 HA VAL 19 HA VAL 19 0.887 6.460 -16.208 154 HB VAL 19 HB VAL 19 -0.410 6.099 -13.489 155 HG11 VAL 19 HG11 VAL 19 1.727 5.885 -12.784 156 HG12 VAL 19 HG12 VAL 19 1.958 7.566 -13.264 157 HG13 VAL 19 HG13 VAL 19 2.362 6.266 -14.385 158 HG21 VAL 19 HG21 VAL 19 0.212 8.483 -15.226 159 HG22 VAL 19 HG22 VAL 19 0.170 8.646 -13.471 160 HG23 VAL 19 HG23 VAL 19 -1.268 8.117 -14.342 161 H ALA 20 H ALA 20 2.474 4.913 -16.162 162 HA ALA 20 HA ALA 20 1.669 2.122 -15.998 163 HB1 ALA 20 HB1 ALA 20 4.403 3.394 -16.284 164 HB2 ALA 20 HB2 ALA 20 3.370 2.849 -17.607 165 HB3 ALA 20 HB3 ALA 20 4.057 1.676 -16.484 166 HA PRO 21 HA PRO 21 2.272 2.056 -11.478 167 HB2 PRO 21 HB2 PRO 21 2.419 -0.877 -11.961 168 HB3 PRO 21 HB3 PRO 21 1.405 0.028 -10.823 169 HG2 PRO 21 HG3 PRO 21 0.438 -1.057 -13.080 170 HG3 PRO 21 HG2 PRO 21 -0.212 0.430 -12.373 171 HD2 PRO 21 HD3 PRO 21 1.445 0.085 -14.814 172 HD3 PRO 21 HD2 PRO 21 0.298 1.376 -14.391 173 H ALA 22 H ALA 22 4.185 0.133 -13.771 174 HA ALA 22 HA ALA 22 6.365 -0.419 -11.981 175 HB1 ALA 22 HB1 ALA 22 5.972 -0.454 -14.951 176 HB2 ALA 22 HB2 ALA 22 6.464 -1.760 -13.874 177 HB3 ALA 22 HB3 ALA 22 7.619 -0.507 -14.324 178 H ASP 23 H ASP 23 5.402 2.376 -13.789 179 HA ASP 23 HA ASP 23 8.031 3.666 -13.607 180 HB2 ASP 23 HB3 ASP 23 5.317 4.629 -14.546 181 HB3 ASP 23 HB2 ASP 23 6.756 5.648 -14.536 182 H VAL 24 H VAL 24 5.903 2.945 -11.294 183 HA VAL 24 HA VAL 24 5.976 5.614 -9.967 184 HB VAL 24 HB VAL 24 4.592 3.108 -8.990 185 HG11 VAL 24 HG11 VAL 24 3.918 4.408 -7.281 186 HG12 VAL 24 HG12 VAL 24 3.361 5.663 -8.387 187 HG13 VAL 24 HG13 VAL 24 5.042 5.640 -7.855 188 HG21 VAL 24 HG21 VAL 24 3.403 5.350 -10.660 189 HG22 VAL 24 HG22 VAL 24 2.561 3.916 -10.072 190 HG23 VAL 24 HG23 VAL 24 3.823 3.759 -11.294 191 H ASP 25 H ASP 25 7.356 5.948 -8.253 192 HA ASP 25 HA ASP 25 9.132 3.714 -7.496 193 HB2 ASP 25 HB3 ASP 25 10.021 6.022 -7.956 194 HB3 ASP 25 HB2 ASP 25 9.153 6.590 -6.528 195 H VAL 26 H VAL 26 8.570 2.436 -5.804 196 HA VAL 26 HA VAL 26 6.408 3.088 -4.013 197 HB VAL 26 HB VAL 26 7.566 0.773 -4.736 198 HG11 VAL 26 HG11 VAL 26 9.015 -0.113 -3.078 199 HG12 VAL 26 HG12 VAL 26 8.669 1.203 -1.956 200 HG13 VAL 26 HG13 VAL 26 9.639 1.505 -3.398 201 HG21 VAL 26 HG21 VAL 26 5.418 1.079 -3.533 202 HG22 VAL 26 HG22 VAL 26 6.308 1.282 -2.025 203 HG23 VAL 26 HG23 VAL 26 6.352 -0.263 -2.873 204 H ASP 27 H ASP 27 9.355 4.481 -4.168 205 HA ASP 27 HA ASP 27 9.843 4.556 -1.247 206 HB2 ASP 27 HB3 ASP 27 11.366 5.684 -3.612 207 HB3 ASP 27 HB2 ASP 27 11.848 5.907 -1.935 208 H LEU 28 H LEU 28 7.937 6.135 -3.445 209 HA LEU 28 HA LEU 28 8.234 8.796 -2.148 210 HB2 LEU 28 HB3 LEU 28 8.132 8.675 -4.637 211 HB3 LEU 28 HB2 LEU 28 6.522 7.973 -4.514 212 HG LEU 28 HG LEU 28 5.819 10.018 -3.212 213 HD11 LEU 28 HD11 LEU 28 7.750 11.017 -2.380 214 HD12 LEU 28 HD12 LEU 28 7.440 12.019 -3.797 215 HD13 LEU 28 HD13 LEU 28 8.657 10.746 -3.869 216 HD21 LEU 28 HD21 LEU 28 5.246 9.861 -5.560 217 HD22 LEU 28 HD22 LEU 28 6.871 10.354 -6.036 218 HD23 LEU 28 HD23 LEU 28 5.795 11.508 -5.247 219 H ASP 29 H ASP 29 6.645 9.570 -0.773 220 HA ASP 29 HA ASP 29 4.839 7.745 0.434 221 HB2 ASP 29 HB3 ASP 29 4.763 10.779 0.337 222 HB3 ASP 29 HB2 ASP 29 3.747 9.796 1.391 223 H LEU 30 H LEU 30 2.768 7.194 -0.007 224 HA LEU 30 HA LEU 30 1.743 7.588 -2.652 225 HB2 LEU 30 HB3 LEU 30 1.336 5.719 -0.787 226 HB3 LEU 30 HB2 LEU 30 -0.058 6.736 -0.431 227 HG LEU 30 HG LEU 30 0.634 5.672 -3.181 228 HD11 LEU 30 HD11 LEU 30 -0.385 3.763 -2.591 229 HD12 LEU 30 HD12 LEU 30 -1.828 4.665 -2.130 230 HD13 LEU 30 HD13 LEU 30 -0.555 4.370 -0.945 231 HD21 LEU 30 HD21 LEU 30 -1.436 7.504 -2.069 232 HD22 LEU 30 HD22 LEU 30 -1.970 6.344 -3.286 233 HD23 LEU 30 HD23 LEU 30 -0.687 7.492 -3.665 234 H VAL 31 H VAL 31 0.992 9.081 0.473 235 HA VAL 31 HA VAL 31 -1.360 10.458 -0.390 236 HB VAL 31 HB VAL 31 0.621 11.127 1.795 237 HG11 VAL 31 HG11 VAL 31 -0.424 13.145 1.773 238 HG12 VAL 31 HG12 VAL 31 -1.803 12.274 2.446 239 HG13 VAL 31 HG13 VAL 31 -1.705 12.563 0.707 240 HG21 VAL 31 HG21 VAL 31 -0.590 9.708 3.101 241 HG22 VAL 31 HG22 VAL 31 -1.147 9.029 1.572 242 HG23 VAL 31 HG23 VAL 31 -2.122 10.238 2.407 243 H ASP 32 H ASP 32 2.069 11.328 -0.572 244 HA ASP 32 HA ASP 32 1.816 14.058 -1.219 245 HB2 ASP 32 HB3 ASP 32 3.737 11.983 -2.322 246 HB3 ASP 32 HB2 ASP 32 3.903 13.717 -2.601 247 H ASN 33 H ASN 33 1.227 11.189 -3.144 248 HA ASN 33 HA ASN 33 0.889 12.548 -5.669 249 HB2 ASN 33 HB3 ASN 33 -0.047 9.876 -4.629 250 HB3 ASN 33 HB2 ASN 33 -0.294 10.402 -6.289 251 HD21 ASN 33 HD22 ASN 33 2.577 11.789 -5.266 252 HD22 ASN 33 HD21 ASN 33 3.664 10.614 -5.830 253 H GLY 34 H GLY 34 -1.272 11.701 -3.007 254 HA2 GLY 34 HA3 GLY 34 -3.350 12.765 -2.500 255 HA3 GLY 34 HA2 GLY 34 -3.289 13.570 -4.071 256 H VAL 35 H VAL 35 -2.538 10.348 -4.473 257 HA VAL 35 HA VAL 35 -4.888 9.753 -5.975 258 HB VAL 35 HB VAL 35 -2.828 7.920 -4.707 259 HG11 VAL 35 HG11 VAL 35 -4.816 6.613 -5.078 260 HG12 VAL 35 HG12 VAL 35 -3.715 6.268 -6.413 261 HG13 VAL 35 HG13 VAL 35 -5.079 7.359 -6.655 262 HG21 VAL 35 HG21 VAL 35 -2.612 9.711 -6.819 263 HG22 VAL 35 HG22 VAL 35 -2.955 8.180 -7.624 264 HG23 VAL 35 HG23 VAL 35 -1.566 8.317 -6.547 265 H ILE 36 H ILE 36 -4.058 9.330 -2.591 266 HA ILE 36 HA ILE 36 -6.555 7.815 -2.100 267 HB ILE 36 HB ILE 36 -4.376 8.688 -0.178 268 HG12 ILE 36 HG13 ILE 36 -4.922 5.962 -1.390 269 HG13 ILE 36 HG12 ILE 36 -3.670 7.061 -1.950 270 HG21 ILE 36 HG21 ILE 36 -5.742 7.953 1.447 271 HG22 ILE 36 HG22 ILE 36 -5.870 6.391 0.639 272 HG23 ILE 36 HG23 ILE 36 -7.006 7.681 0.247 273 HD11 ILE 36 HD11 ILE 36 -3.682 5.312 0.391 274 HD12 ILE 36 HD12 ILE 36 -3.254 6.975 0.793 275 HD13 ILE 36 HD13 ILE 36 -2.319 6.092 -0.413 276 H ASP 37 H ASP 37 -8.342 8.752 -1.287 277 HA ASP 37 HA ASP 37 -8.155 11.430 -0.010 278 HB2 ASP 37 HB3 ASP 37 -8.771 11.646 -2.467 279 HB3 ASP 37 HB2 ASP 37 -10.241 10.742 -2.100 280 H ALA 38 H ALA 38 -10.871 11.806 0.477 281 HA ALA 38 HA ALA 38 -11.338 10.003 2.650 282 HB1 ALA 38 HB1 ALA 38 -12.332 12.378 2.209 283 HB2 ALA 38 HB2 ALA 38 -13.346 11.176 3.008 284 HB3 ALA 38 HB3 ALA 38 -13.563 11.512 1.290 285 H LEU 39 H LEU 39 -13.020 10.284 -0.489 286 HA LEU 39 HA LEU 39 -14.397 7.755 -0.159 287 HB2 LEU 39 HB3 LEU 39 -13.840 9.286 -2.713 288 HB3 LEU 39 HB2 LEU 39 -15.077 8.059 -2.477 289 HG LEU 39 HG LEU 39 -14.940 10.775 -1.162 290 HD11 LEU 39 HD11 LEU 39 -16.278 11.404 -2.855 291 HD12 LEU 39 HD12 LEU 39 -17.440 10.159 -2.397 292 HD13 LEU 39 HD13 LEU 39 -16.159 9.788 -3.551 293 HD21 LEU 39 HD21 LEU 39 -16.585 8.325 -0.576 294 HD22 LEU 39 HD22 LEU 39 -17.259 9.928 -0.283 295 HD23 LEU 39 HD23 LEU 39 -15.791 9.422 0.554 296 H GLY 40 H GLY 40 -11.432 8.913 -1.612 297 HA2 GLY 40 HA3 GLY 40 -10.683 6.577 -3.040 298 HA3 GLY 40 HA2 GLY 40 -9.554 7.769 -2.388 299 H LEU 41 H LEU 41 -10.250 7.530 0.344 300 HA LEU 41 HA LEU 41 -8.649 5.280 1.098 301 HB2 LEU 41 HB3 LEU 41 -8.794 7.259 2.527 302 HB3 LEU 41 HB2 LEU 41 -10.524 7.026 2.732 303 HG LEU 41 HG LEU 41 -9.037 6.220 4.654 304 HD11 LEU 41 HD11 LEU 41 -10.444 3.785 3.798 305 HD12 LEU 41 HD12 LEU 41 -11.428 5.243 3.724 306 HD13 LEU 41 HD13 LEU 41 -10.669 4.769 5.241 307 HD21 LEU 41 HD21 LEU 41 -7.362 5.210 2.988 308 HD22 LEU 41 HD22 LEU 41 -8.493 3.867 2.854 309 HD23 LEU 41 HD23 LEU 41 -7.761 4.247 4.409 310 H LEU 42 H LEU 42 -12.153 5.878 1.148 311 HA LEU 42 HA LEU 42 -12.943 3.418 2.339 312 HB2 LEU 42 HB3 LEU 42 -14.497 5.299 1.948 313 HB3 LEU 42 HB2 LEU 42 -14.357 5.056 0.208 314 HG LEU 42 HG LEU 42 -15.057 2.550 0.980 315 HD11 LEU 42 HD11 LEU 42 -16.738 2.648 2.707 316 HD12 LEU 42 HD12 LEU 42 -16.586 4.401 2.823 317 HD13 LEU 42 HD13 LEU 42 -15.263 3.363 3.356 318 HD21 LEU 42 HD21 LEU 42 -16.237 3.561 -0.772 319 HD22 LEU 42 HD22 LEU 42 -16.680 4.960 0.207 320 HD23 LEU 42 HD23 LEU 42 -17.468 3.407 0.483 321 H LYS 43 H LYS 43 -12.463 4.281 -1.072 322 HA LYS 43 HA LYS 43 -13.139 1.745 -2.157 323 HB2 LYS 43 HB3 LYS 43 -11.224 3.855 -3.165 324 HB3 LYS 43 HB2 LYS 43 -11.770 2.480 -4.115 325 HG2 LYS 43 HG3 LYS 43 -14.127 3.231 -3.777 326 HG3 LYS 43 HG2 LYS 43 -13.517 4.662 -2.945 327 HD2 LYS 43 HD3 LYS 43 -12.213 5.247 -4.995 328 HD3 LYS 43 HD2 LYS 43 -12.959 3.878 -5.820 329 HE2 LYS 43 HE3 LYS 43 -14.256 5.814 -6.397 330 HE3 LYS 43 HE2 LYS 43 -15.212 4.895 -5.236 331 HZ1 LYS 43 HZ1 LYS 43 -14.926 7.410 -4.891 332 HZ2 LYS 43 HZ2 LYS 43 -13.381 7.011 -4.317 333 HZ3 LYS 43 HZ3 LYS 43 -14.760 6.381 -3.550 334 H VAL 44 H VAL 44 -10.136 3.006 -0.811 335 HA VAL 44 HA VAL 44 -8.392 0.930 -1.667 336 HB VAL 44 HB VAL 44 -8.303 2.655 0.815 337 HG11 VAL 44 HG11 VAL 44 -6.344 0.712 -0.407 338 HG12 VAL 44 HG12 VAL 44 -6.851 0.847 1.276 339 HG13 VAL 44 HG13 VAL 44 -5.788 2.068 0.574 340 HG21 VAL 44 HG21 VAL 44 -7.341 4.259 -0.485 341 HG22 VAL 44 HG22 VAL 44 -8.107 3.402 -1.822 342 HG23 VAL 44 HG23 VAL 44 -6.420 3.080 -1.417 343 H ILE 45 H ILE 45 -10.167 1.286 1.409 344 HA ILE 45 HA ILE 45 -9.345 -1.268 2.433 345 HB ILE 45 HB ILE 45 -11.459 0.736 3.148 346 HG12 ILE 45 HG13 ILE 45 -10.230 0.544 5.355 347 HG13 ILE 45 HG12 ILE 45 -9.091 -0.540 4.560 348 HG21 ILE 45 HG21 ILE 45 -11.971 -0.890 5.091 349 HG22 ILE 45 HG22 ILE 45 -11.293 -2.135 4.041 350 HG23 ILE 45 HG23 ILE 45 -12.709 -1.220 3.524 351 HD11 ILE 45 HD11 ILE 45 -8.973 2.268 4.621 352 HD12 ILE 45 HD12 ILE 45 -9.500 1.863 2.988 353 HD13 ILE 45 HD13 ILE 45 -7.999 1.192 3.616 354 H ALA 46 H ALA 46 -12.014 -0.256 0.374 355 HA ALA 46 HA ALA 46 -13.652 -2.575 0.734 356 HB1 ALA 46 HB1 ALA 46 -14.842 -1.835 -1.206 357 HB2 ALA 46 HB2 ALA 46 -13.451 -0.916 -1.782 358 HB3 ALA 46 HB3 ALA 46 -14.322 -0.385 -0.344 359 H TRP 47 H TRP 47 -11.247 -1.857 -1.852 360 HA TRP 47 HA TRP 47 -11.618 -4.552 -2.943 361 HB2 TRP 47 HB3 TRP 47 -10.759 -3.582 -4.772 362 HB3 TRP 47 HB2 TRP 47 -10.466 -2.109 -3.849 363 HD1 TRP 47 HD1 TRP 47 -8.753 -5.517 -4.518 364 HE1 TRP 47 HE1 TRP 47 -6.200 -5.153 -4.405 365 HE3 TRP 47 HE3 TRP 47 -8.637 -0.615 -3.211 366 HZ2 TRP 47 HZ2 TRP 47 -4.353 -3.036 -3.820 367 HZ3 TRP 47 HZ3 TRP 47 -6.482 0.571 -2.872 368 HH2 TRP 47 HH2 TRP 47 -4.338 -0.638 -3.179 369 H LEU 48 H LEU 48 -9.113 -2.884 -1.052 370 HA LEU 48 HA LEU 48 -7.212 -5.002 -1.075 371 HB2 LEU 48 HB3 LEU 48 -7.091 -2.522 -0.155 372 HB3 LEU 48 HB2 LEU 48 -7.616 -3.259 1.353 373 HG LEU 48 HG LEU 48 -5.236 -3.219 1.448 374 HD11 LEU 48 HD11 LEU 48 -5.819 -5.989 0.412 375 HD12 LEU 48 HD12 LEU 48 -6.381 -5.437 1.989 376 HD13 LEU 48 HD13 LEU 48 -4.656 -5.516 1.644 377 HD21 LEU 48 HD21 LEU 48 -4.104 -3.001 -0.481 378 HD22 LEU 48 HD22 LEU 48 -5.493 -3.562 -1.409 379 HD23 LEU 48 HD23 LEU 48 -4.344 -4.727 -0.756 380 H GLU 49 H GLU 49 -9.955 -4.345 1.122 381 HA GLU 49 HA GLU 49 -9.369 -6.618 2.817 382 HB2 GLU 49 HB3 GLU 49 -11.347 -6.038 3.957 383 HB3 GLU 49 HB2 GLU 49 -10.769 -4.498 3.345 384 HG2 GLU 49 HG3 GLU 49 -12.248 -4.842 1.343 385 HG3 GLU 49 HG2 GLU 49 -12.926 -6.232 2.165 386 H ASP 50 H ASP 50 -11.398 -6.024 0.000 387 HA ASP 50 HA ASP 50 -12.849 -8.481 0.055 388 HB2 ASP 50 HB3 ASP 50 -13.439 -6.471 -1.299 389 HB3 ASP 50 HB2 ASP 50 -12.081 -6.844 -2.359 390 H ARG 51 H ARG 51 -9.762 -7.648 -1.544 391 HA ARG 51 HA ARG 51 -9.592 -10.171 -2.911 392 HB2 ARG 51 HB3 ARG 51 -7.411 -9.495 -3.576 393 HB3 ARG 51 HB2 ARG 51 -8.391 -8.039 -3.548 394 HG2 ARG 51 HG3 ARG 51 -7.509 -7.542 -1.274 395 HG3 ARG 51 HG2 ARG 51 -6.453 -8.948 -1.407 396 HD2 ARG 51 HD3 ARG 51 -5.545 -7.937 -3.544 397 HD3 ARG 51 HD2 ARG 51 -6.442 -6.474 -3.146 398 HE ARG 51 HE ARG 51 -4.995 -6.859 -0.870 399 HH11 ARG 51 HH22 ARG 51 -4.231 -6.973 -4.230 400 HH12 ARG 51 HH21 ARG 51 -2.596 -6.444 -4.013 401 HH21 ARG 51 HH11 ARG 51 -2.862 -6.165 -0.570 402 HH22 ARG 51 HH12 ARG 51 -1.821 -5.986 -1.942 403 H PHE 52 H PHE 52 -8.329 -9.081 0.247 404 HA PHE 52 HA PHE 52 -6.845 -11.585 0.576 405 HB2 PHE 52 HB3 PHE 52 -7.210 -9.092 2.147 406 HB3 PHE 52 HB2 PHE 52 -6.894 -10.557 3.077 407 HD1 PHE 52 HD2 PHE 52 -5.564 -8.227 0.563 408 HD2 PHE 52 HD1 PHE 52 -4.798 -11.785 2.833 409 HE1 PHE 52 HE2 PHE 52 -3.165 -8.098 -0.052 410 HE2 PHE 52 HE1 PHE 52 -2.398 -11.661 2.220 411 HZ PHE 52 HZ PHE 52 -1.582 -9.817 0.777 412 H GLY 53 H GLY 53 -10.074 -10.581 1.017 413 HA2 GLY 53 HA3 GLY 53 -11.912 -11.901 1.700 414 HA3 GLY 53 HA2 GLY 53 -10.781 -13.197 2.103 415 H ILE 54 H ILE 54 -10.075 -10.059 3.324 416 HA ILE 54 HA ILE 54 -10.924 -10.970 6.044 417 HB ILE 54 HB ILE 54 -9.111 -9.534 6.894 418 HG12 ILE 54 HG13 ILE 54 -8.617 -9.009 3.945 419 HG13 ILE 54 HG12 ILE 54 -9.179 -7.828 5.125 420 HG21 ILE 54 HG21 ILE 54 -7.212 -10.850 5.975 421 HG22 ILE 54 HG22 ILE 54 -8.259 -11.424 4.678 422 HG23 ILE 54 HG23 ILE 54 -8.598 -11.873 6.347 423 HD11 ILE 54 HD11 ILE 54 -6.819 -7.483 4.881 424 HD12 ILE 54 HD12 ILE 54 -6.491 -9.209 5.041 425 HD13 ILE 54 HD13 ILE 54 -7.054 -8.285 6.434 426 H ALA 55 H ALA 55 -11.827 -9.342 7.466 427 HA ALA 55 HA ALA 55 -13.176 -7.162 5.950 428 HB1 ALA 55 HB1 ALA 55 -14.474 -7.046 8.236 429 HB2 ALA 55 HB2 ALA 55 -13.789 -8.652 8.486 430 HB3 ALA 55 HB3 ALA 55 -14.831 -8.344 7.097 431 H ALA 56 H ALA 56 -12.659 -5.053 6.341 432 HA ALA 56 HA ALA 56 -10.368 -4.400 7.967 433 HB1 ALA 56 HB1 ALA 56 -11.412 -1.981 7.530 434 HB2 ALA 56 HB2 ALA 56 -12.357 -2.875 6.339 435 HB3 ALA 56 HB3 ALA 56 -10.596 -2.874 6.247 436 H ASP 57 H ASP 57 -13.786 -4.563 8.587 437 HA ASP 57 HA ASP 57 -14.068 -2.770 10.731 438 HB2 ASP 57 HB3 ASP 57 -15.334 -5.469 10.263 439 HB3 ASP 57 HB2 ASP 57 -15.854 -4.357 11.524 440 H ASP 58 H ASP 58 -12.694 -6.030 10.703 441 HA ASP 58 HA ASP 58 -12.545 -6.477 13.485 442 HB2 ASP 58 HB3 ASP 58 -10.638 -7.283 11.288 443 HB3 ASP 58 HB2 ASP 58 -10.551 -7.904 12.934 444 H VAL 59 H VAL 59 -10.365 -4.643 11.374 445 HA VAL 59 HA VAL 59 -9.071 -3.551 13.842 446 HB VAL 59 HB VAL 59 -7.723 -4.060 11.185 447 HG11 VAL 59 HG11 VAL 59 -6.620 -2.249 12.246 448 HG12 VAL 59 HG12 VAL 59 -5.673 -3.665 12.702 449 HG13 VAL 59 HG13 VAL 59 -6.815 -2.962 13.847 450 HG21 VAL 59 HG21 VAL 59 -8.195 -5.759 13.526 451 HG22 VAL 59 HG22 VAL 59 -6.483 -5.604 13.127 452 HG23 VAL 59 HG23 VAL 59 -7.620 -6.202 11.919 453 H GLU 60 H GLU 60 -8.936 -1.320 13.918 454 HA GLU 60 HA GLU 60 -10.279 0.154 11.744 455 HB2 GLU 60 HB3 GLU 60 -10.752 0.646 14.157 456 HB3 GLU 60 HB2 GLU 60 -9.093 1.207 14.328 457 HG2 GLU 60 HG3 GLU 60 -9.510 2.870 12.529 458 HG3 GLU 60 HG2 GLU 60 -11.191 2.352 12.481 459 H LEU 61 H LEU 61 -9.163 1.188 10.158 460 HA LEU 61 HA LEU 61 -6.221 1.443 10.464 461 HB2 LEU 61 HB3 LEU 61 -7.909 1.630 7.955 462 HB3 LEU 61 HB2 LEU 61 -6.159 1.515 8.044 463 HG LEU 61 HG LEU 61 -8.142 -0.593 8.896 464 HD11 LEU 61 HD11 LEU 61 -6.656 -1.867 7.150 465 HD12 LEU 61 HD12 LEU 61 -6.251 -0.246 6.588 466 HD13 LEU 61 HD13 LEU 61 -7.929 -0.789 6.577 467 HD21 LEU 61 HD21 LEU 61 -5.177 -0.296 9.320 468 HD22 LEU 61 HD22 LEU 61 -5.890 -1.901 9.158 469 HD23 LEU 61 HD23 LEU 61 -6.411 -0.834 10.460 470 H SER 62 H SER 62 -5.230 3.459 10.222 471 HA SER 62 HA SER 62 -7.080 5.787 10.079 472 HB2 SER 62 HB3 SER 62 -5.984 6.419 11.953 473 HB3 SER 62 HB2 SER 62 -4.785 5.145 11.750 474 HG SER 62 HG SER 62 -3.808 6.534 10.147 475 HA PRO 63 HA PRO 63 -5.410 6.980 6.181 476 HB2 PRO 63 HB2 PRO 63 -5.069 9.719 6.612 477 HB3 PRO 63 HB3 PRO 63 -6.577 8.936 6.109 478 HG2 PRO 63 HG3 PRO 63 -5.722 9.852 8.798 479 HG3 PRO 63 HG2 PRO 63 -7.332 9.848 8.061 480 HD2 PRO 63 HD3 PRO 63 -6.605 8.022 9.928 481 HD3 PRO 63 HD2 PRO 63 -7.726 7.624 8.607 482 H GLU 64 H GLU 64 -3.670 7.748 9.101 483 HA GLU 64 HA GLU 64 -1.282 8.780 7.879 484 HB2 GLU 64 HB3 GLU 64 -1.691 7.428 10.550 485 HB3 GLU 64 HB2 GLU 64 -0.262 8.337 10.084 486 HG2 GLU 64 HG3 GLU 64 -1.694 10.333 9.726 487 HG3 GLU 64 HG2 GLU 64 -3.073 9.410 10.312 488 H HIS 65 H HIS 65 -2.477 5.560 8.566 489 HA HIS 65 HA HIS 65 0.031 4.215 8.267 490 HB2 HIS 65 HB3 HIS 65 -1.882 3.052 9.247 491 HB3 HIS 65 HB2 HIS 65 -2.782 3.221 7.738 492 HD1 HIS 65 HD1 HIS 65 0.658 1.879 8.737 493 HD2 HIS 65 HD2 HIS 65 -2.534 0.946 6.220 494 HE1 HIS 65 HE1 HIS 65 1.277 -0.276 7.556 495 HE2 HIS 65 HE2 HIS 65 -0.645 -0.834 6.004 496 H PHE 66 H PHE 66 -2.131 5.686 6.038 497 HA PHE 66 HA PHE 66 -1.060 4.197 3.742 498 HB2 PHE 66 HB3 PHE 66 -2.966 6.552 3.804 499 HB3 PHE 66 HB2 PHE 66 -2.634 5.513 2.418 500 HD1 PHE 66 HD1 PHE 66 -3.833 5.384 5.959 501 HD2 PHE 66 HD2 PHE 66 -3.911 3.569 2.070 502 HE1 PHE 66 HE1 PHE 66 -5.576 3.803 6.735 503 HE2 PHE 66 HE2 PHE 66 -5.652 1.983 2.850 504 HZ PHE 66 HZ PHE 66 -6.483 2.106 5.182 505 H ARG 67 H ARG 67 0.335 6.293 5.598 506 HA ARG 67 HA ARG 67 1.083 8.581 4.193 507 HB2 ARG 67 HB3 ARG 67 3.133 8.514 5.521 508 HB3 ARG 67 HB2 ARG 67 1.778 7.985 6.513 509 HG2 ARG 67 HG3 ARG 67 2.570 5.619 5.407 510 HG3 ARG 67 HG2 ARG 67 4.111 6.457 5.546 511 HD2 ARG 67 HD3 ARG 67 3.219 7.026 7.972 512 HD3 ARG 67 HD2 ARG 67 2.207 5.608 7.695 513 HE ARG 67 HE ARG 67 4.160 4.245 7.750 514 HH11 ARG 67 HH22 ARG 67 4.850 7.625 7.729 515 HH12 ARG 67 HH21 ARG 67 6.520 7.420 8.140 516 HH21 ARG 67 HH11 ARG 67 6.336 3.962 8.285 517 HH22 ARG 67 HH12 ARG 67 7.361 5.347 8.454 518 H SER 68 H SER 68 2.185 5.244 3.731 519 HA SER 68 HA SER 68 3.260 6.019 1.103 520 HB2 SER 68 HB3 SER 68 5.461 5.055 1.493 521 HB3 SER 68 HB2 SER 68 5.170 6.313 2.689 522 HG SER 68 HG SER 68 5.670 4.742 4.016 523 H ILE 69 H ILE 69 3.548 4.193 -0.291 524 HA ILE 69 HA ILE 69 1.671 2.096 0.016 525 HB ILE 69 HB ILE 69 4.180 2.053 -1.681 526 HG12 ILE 69 HG13 ILE 69 2.117 2.889 -3.296 527 HG13 ILE 69 HG12 ILE 69 1.756 3.722 -1.789 528 HG21 ILE 69 HG21 ILE 69 2.075 0.220 -1.298 529 HG22 ILE 69 HG22 ILE 69 3.306 0.181 -2.560 530 HG23 ILE 69 HG23 ILE 69 1.768 0.994 -2.852 531 HD11 ILE 69 HD11 ILE 69 4.157 3.981 -3.567 532 HD12 ILE 69 HD12 ILE 69 4.332 4.302 -1.842 533 HD13 ILE 69 HD13 ILE 69 3.196 5.245 -2.801 534 H ARG 70 H ARG 70 5.086 2.364 0.814 535 HA ARG 70 HA ARG 70 5.713 -0.347 1.305 536 HB2 ARG 70 HB3 ARG 70 6.648 2.093 2.846 537 HB3 ARG 70 HB2 ARG 70 7.470 0.535 2.779 538 HG2 ARG 70 HG3 ARG 70 8.219 0.869 0.624 539 HG3 ARG 70 HG2 ARG 70 6.840 1.879 0.189 540 HD2 ARG 70 HD3 ARG 70 8.865 3.253 0.345 541 HD3 ARG 70 HD2 ARG 70 7.736 3.698 1.622 542 HE ARG 70 HE ARG 70 9.311 2.908 3.197 543 HH11 ARG 70 HH22 ARG 70 9.951 1.739 0.017 544 HH12 ARG 70 HH21 ARG 70 11.466 1.017 0.445 545 HH21 ARG 70 HH11 ARG 70 11.286 1.973 3.773 546 HH22 ARG 70 HH12 ARG 70 12.222 1.149 2.570 547 H SER 71 H SER 71 4.322 2.087 3.514 548 HA SER 71 HA SER 71 4.177 0.351 5.790 549 HB2 SER 71 HB3 SER 71 3.954 2.856 5.853 550 HB3 SER 71 HB2 SER 71 2.353 2.684 5.141 551 HG SER 71 HG SER 71 3.268 1.571 7.593 552 H ILE 72 H ILE 72 1.763 1.188 3.295 553 HA ILE 72 HA ILE 72 -0.372 -0.347 4.329 554 HB ILE 72 HB ILE 72 0.315 0.227 1.438 555 HG12 ILE 72 HG13 ILE 72 -1.410 1.754 3.416 556 HG13 ILE 72 HG12 ILE 72 0.191 2.254 2.870 557 HG21 ILE 72 HG21 ILE 72 -2.116 -0.044 1.096 558 HG22 ILE 72 HG22 ILE 72 -2.299 -0.476 2.796 559 HG23 ILE 72 HG23 ILE 72 -1.385 -1.525 1.714 560 HD11 ILE 72 HD11 ILE 72 -0.782 2.073 0.483 561 HD12 ILE 72 HD12 ILE 72 -1.284 3.449 1.465 562 HD13 ILE 72 HD13 ILE 72 -2.359 2.064 1.274 563 H ASP 73 H ASP 73 2.245 -1.259 2.106 564 HA ASP 73 HA ASP 73 1.330 -3.892 1.564 565 HB2 ASP 73 HB3 ASP 73 4.227 -3.063 1.786 566 HB3 ASP 73 HB2 ASP 73 3.540 -4.313 0.759 567 H ALA 74 H ALA 74 3.305 -2.602 4.230 568 HA ALA 74 HA ALA 74 3.977 -5.162 5.343 569 HB1 ALA 74 HB1 ALA 74 4.674 -2.542 5.870 570 HB2 ALA 74 HB2 ALA 74 5.138 -3.934 6.846 571 HB3 ALA 74 HB3 ALA 74 3.719 -2.983 7.285 572 H PHE 75 H PHE 75 1.383 -2.842 6.149 573 HA PHE 75 HA PHE 75 0.276 -4.473 8.235 574 HB2 PHE 75 HB3 PHE 75 -0.216 -2.068 7.973 575 HB3 PHE 75 HB2 PHE 75 -1.141 -2.424 6.522 576 HD1 PHE 75 HD2 PHE 75 -1.009 -2.783 10.189 577 HD2 PHE 75 HD1 PHE 75 -3.296 -3.550 6.635 578 HE1 PHE 75 HE2 PHE 75 -2.991 -3.324 11.579 579 HE2 PHE 75 HE1 PHE 75 -5.277 -4.091 8.024 580 HZ PHE 75 HZ PHE 75 -5.124 -3.978 10.498 581 H VAL 76 H VAL 76 -0.511 -4.161 4.777 582 HA VAL 76 HA VAL 76 -2.696 -5.991 4.774 583 HB VAL 76 HB VAL 76 -0.685 -5.214 2.647 584 HG11 VAL 76 HG11 VAL 76 -1.379 -7.320 1.899 585 HG12 VAL 76 HG12 VAL 76 -2.547 -6.238 1.141 586 HG13 VAL 76 HG13 VAL 76 -2.991 -7.140 2.590 587 HG21 VAL 76 HG21 VAL 76 -2.133 -3.392 3.169 588 HG22 VAL 76 HG22 VAL 76 -3.534 -4.449 3.321 589 HG23 VAL 76 HG23 VAL 76 -2.836 -4.132 1.733 590 H VAL 77 H VAL 77 0.813 -6.486 4.378 591 HA VAL 77 HA VAL 77 0.665 -9.300 3.875 592 HB VAL 77 HB VAL 77 2.846 -7.552 5.051 593 HG11 VAL 77 HG11 VAL 77 4.032 -9.811 3.985 594 HG12 VAL 77 HG12 VAL 77 2.610 -10.460 4.800 595 HG13 VAL 77 HG13 VAL 77 3.783 -9.502 5.703 596 HG21 VAL 77 HG21 VAL 77 1.845 -7.695 2.481 597 HG22 VAL 77 HG22 VAL 77 3.188 -8.836 2.426 598 HG23 VAL 77 HG23 VAL 77 3.473 -7.163 2.902 599 H GLY 78 H GLY 78 0.956 -7.378 6.844 600 HA2 GLY 78 HA3 GLY 78 1.339 -9.498 8.690 601 HA3 GLY 78 HA2 GLY 78 0.583 -7.956 9.082 602 H ALA 79 H ALA 79 -1.409 -8.672 6.801 603 HA ALA 79 HA ALA 79 -3.474 -9.651 8.530 604 HB1 ALA 79 HB1 ALA 79 -4.903 -9.497 6.660 605 HB2 ALA 79 HB2 ALA 79 -3.591 -9.809 5.524 606 HB3 ALA 79 HB3 ALA 79 -3.683 -8.259 6.359 607 H THR 80 H THR 80 -1.356 -11.283 6.195 608 HA THR 80 HA THR 80 -2.423 -13.868 7.244 609 HB THR 80 HB THR 80 -2.404 -14.830 5.014 610 HG1 THR 80 HG1 THR 80 -1.245 -12.346 4.406 611 HG21 THR 80 HG21 THR 80 -4.398 -13.484 5.812 612 HG22 THR 80 HG22 THR 80 -4.259 -13.641 4.060 613 HG23 THR 80 HG23 THR 80 -3.780 -12.138 4.852 614 H THR 81 H THR 81 0.296 -11.990 6.212 615 HA THR 81 HA THR 81 2.055 -14.277 6.954 616 HB THR 81 HB THR 81 3.566 -12.874 5.151 617 HG1 THR 81 HG1 THR 81 0.886 -12.497 4.626 618 HG21 THR 81 HG21 THR 81 1.692 -15.160 4.495 619 HG22 THR 81 HG22 THR 81 3.241 -15.343 5.315 620 HG23 THR 81 HG23 THR 81 3.188 -14.759 3.653 621 HA PRO 82 HA PRO 82 3.931 -11.356 9.675 622 HB2 PRO 82 HB2 PRO 82 6.564 -12.195 9.619 623 HB3 PRO 82 HB3 PRO 82 5.282 -12.985 10.555 624 HG2 PRO 82 HG3 PRO 82 6.471 -13.755 7.946 625 HG3 PRO 82 HG2 PRO 82 5.899 -14.776 9.276 626 HD2 PRO 82 HD3 PRO 82 4.460 -14.379 6.983 627 HD3 PRO 82 HD2 PRO 82 3.704 -14.722 8.555 628 HA PRO 83 HA PRO 83 5.491 -8.238 6.857 629 HB2 PRO 83 HB2 PRO 83 6.326 -6.396 8.740 630 HB3 PRO 83 HB3 PRO 83 4.665 -6.567 8.156 631 HG2 PRO 83 HG3 PRO 83 5.884 -7.479 10.688 632 HG3 PRO 83 HG2 PRO 83 4.225 -6.961 10.351 633 HD2 PRO 83 HD3 PRO 83 4.992 -9.595 10.668 634 HD3 PRO 83 HD2 PRO 83 3.550 -9.079 9.769 635 H VAL 84 H VAL 84 7.470 -7.533 6.043 636 HA VAL 84 HA VAL 84 9.872 -8.729 7.347 637 HB VAL 84 HB VAL 84 9.549 -7.696 4.515 638 HG11 VAL 84 HG11 VAL 84 11.615 -9.312 4.322 639 HG12 VAL 84 HG12 VAL 84 11.752 -9.032 6.058 640 HG13 VAL 84 HG13 VAL 84 11.846 -7.675 4.936 641 HG21 VAL 84 HG21 VAL 84 9.831 -10.386 4.289 642 HG22 VAL 84 HG22 VAL 84 8.261 -9.584 4.349 643 HG23 VAL 84 HG23 VAL 84 8.943 -10.298 5.810 644 H GLU 85 H GLU 85 11.448 -7.385 8.144 645 HA GLU 85 HA GLU 85 12.278 -5.330 8.973 646 HB2 GLU 85 HB3 GLU 85 12.066 -4.774 5.998 647 HB3 GLU 85 HB2 GLU 85 13.056 -3.859 7.135 648 HG2 GLU 85 HG3 GLU 85 14.288 -5.943 7.704 649 HG3 GLU 85 HG2 GLU 85 13.338 -6.809 6.495 650 H ALA 86 H ALA 86 9.687 -5.290 9.622 651 HA ALA 86 HA ALA 86 7.950 -3.421 8.448 652 HB1 ALA 86 HB1 ALA 86 7.702 -3.140 11.268 653 HB2 ALA 86 HB2 ALA 86 8.138 -4.819 10.948 654 HB3 ALA 86 HB3 ALA 86 6.708 -4.120 10.189 655 H LYS 87 H LYS 87 7.566 -1.168 8.880 656 HA LYS 87 HA LYS 87 9.934 0.433 9.072 657 HB2 LYS 87 HB3 LYS 87 7.019 1.207 9.414 658 HB3 LYS 87 HB2 LYS 87 8.347 2.349 9.209 659 HG2 LYS 87 HG3 LYS 87 8.892 1.254 7.026 660 HG3 LYS 87 HG2 LYS 87 7.465 0.234 7.221 661 HD2 LYS 87 HD3 LYS 87 6.070 2.310 7.385 662 HD3 LYS 87 HD2 LYS 87 7.512 3.258 7.022 663 HE2 LYS 87 HE3 LYS 87 6.310 1.121 5.237 664 HE3 LYS 87 HE2 LYS 87 6.197 2.861 4.976 665 HZ1 LYS 87 HZ1 LYS 87 8.137 2.778 3.946 666 HZ2 LYS 87 HZ2 LYS 87 8.277 1.116 4.256 667 HZ3 LYS 87 HZ3 LYS 87 8.883 2.242 5.375 668 H LEU 88 H LEU 88 10.747 1.645 10.815 669 HA LEU 88 HA LEU 88 11.319 1.871 13.095 670 HB2 LEU 88 HB3 LEU 88 8.307 2.161 13.316 671 HB3 LEU 88 HB2 LEU 88 9.510 2.806 14.434 672 HG LEU 88 HG LEU 88 9.157 3.592 11.526 673 HD11 LEU 88 HD11 LEU 88 7.633 4.441 13.536 674 HD12 LEU 88 HD12 LEU 88 8.192 5.554 12.289 675 HD13 LEU 88 HD13 LEU 88 9.023 5.481 13.842 676 HD21 LEU 88 HD21 LEU 88 10.894 5.384 12.382 677 HD22 LEU 88 HD22 LEU 88 11.460 3.805 11.840 678 HD23 LEU 88 HD23 LEU 88 11.296 4.138 13.564 679 H GLN 89 H GLN 89 12.001 -0.325 13.469 680 HA GLN 89 HA GLN 89 10.179 -2.437 14.159 681 HB2 GLN 89 HB3 GLN 89 13.110 -2.061 14.848 682 HB3 GLN 89 HB2 GLN 89 12.209 -3.561 15.071 683 HG2 GLN 89 HG3 GLN 89 11.740 -3.663 12.664 684 HG3 GLN 89 HG2 GLN 89 12.591 -2.137 12.421 685 HE21 GLN 89 HE22 GLN 89 13.470 -4.511 11.102 686 HE22 GLN 89 HE21 GLN 89 14.972 -4.964 11.748 Start of MODEL 14 1 H1 SER -1 H1 SER -1 7.179 -4.157 -7.422 2 H2 SER -1 H2 SER -1 8.596 -3.820 -6.546 3 H3 SER -1 H3 SER -1 7.079 -3.719 -5.787 4 HA SER -1 HA SER -1 6.780 -6.014 -5.758 5 HB2 SER -1 HB3 SER -1 9.173 -6.877 -7.148 6 HB3 SER -1 HB2 SER -1 7.495 -7.322 -7.446 7 HG SER -1 HG SER -1 8.879 -5.020 -8.370 8 H GLU 0 H GLU 0 8.676 -3.889 -4.526 9 HA GLU 0 HA GLU 0 11.022 -5.217 -3.590 10 HB2 GLU 0 HB3 GLU 0 9.367 -3.027 -2.296 11 HB3 GLU 0 HB2 GLU 0 10.976 -3.515 -1.760 12 HG2 GLU 0 HG3 GLU 0 11.870 -2.975 -4.013 13 HG3 GLU 0 HG2 GLU 0 10.266 -2.423 -4.499 14 H MET 1 H MET 1 7.682 -5.223 -2.421 15 HA MET 1 HA MET 1 8.449 -6.876 -0.094 16 HB2 MET 1 HB3 MET 1 5.718 -5.889 -0.987 17 HB3 MET 1 HB2 MET 1 6.135 -6.559 0.596 18 HG2 MET 1 HG3 MET 1 7.310 -4.031 -0.595 19 HG3 MET 1 HG2 MET 1 6.058 -4.082 0.641 20 HE1 MET 1 HE1 MET 1 6.136 -5.365 2.591 21 HE2 MET 1 HE2 MET 1 7.486 -5.324 3.734 22 HE3 MET 1 HE3 MET 1 7.306 -6.681 2.625 23 H GLN 2 H GLN 2 5.412 -7.718 -0.888 24 HA GLN 2 HA GLN 2 6.309 -10.167 -2.357 25 HB2 GLN 2 HB3 GLN 2 3.899 -9.732 -0.560 26 HB3 GLN 2 HB2 GLN 2 4.266 -11.232 -1.413 27 HG2 GLN 2 HG3 GLN 2 6.393 -11.423 -0.197 28 HG3 GLN 2 HG2 GLN 2 6.064 -9.904 0.636 29 HE21 GLN 2 HE22 GLN 2 6.414 -12.312 2.122 30 HE22 GLN 2 HE21 GLN 2 4.927 -12.740 2.821 31 H HIS 3 H HIS 3 3.167 -8.571 -1.898 32 HA HIS 3 HA HIS 3 2.766 -8.676 -4.851 33 HB2 HIS 3 HB3 HIS 3 0.746 -8.269 -2.618 34 HB3 HIS 3 HB2 HIS 3 0.370 -8.419 -4.335 35 HD1 HIS 3 HD1 HIS 3 1.368 -10.781 -5.435 36 HD2 HIS 3 HD2 HIS 3 0.689 -10.705 -1.320 37 HE1 HIS 3 HE1 HIS 3 1.251 -13.198 -4.682 38 HE2 HIS 3 HE2 HIS 3 0.838 -13.163 -2.179 39 H ALA 4 H ALA 4 4.300 -6.677 -3.140 40 HA ALA 4 HA ALA 4 2.964 -4.234 -2.852 41 HB1 ALA 4 HB1 ALA 4 5.744 -5.109 -3.145 42 HB2 ALA 4 HB2 ALA 4 5.063 -3.865 -2.095 43 HB3 ALA 4 HB3 ALA 4 5.466 -3.482 -3.769 44 H SER 5 H SER 5 4.460 -5.605 -5.781 45 HA SER 5 HA SER 5 4.081 -3.330 -7.457 46 HB2 SER 5 HB3 SER 5 3.986 -6.247 -8.274 47 HB3 SER 5 HB2 SER 5 4.328 -4.876 -9.326 48 HG SER 5 HG SER 5 6.317 -5.025 -8.697 49 H VAL 6 H VAL 6 1.937 -6.038 -6.657 50 HA VAL 6 HA VAL 6 -0.142 -5.415 -8.504 51 HB VAL 6 HB VAL 6 -0.199 -6.755 -5.799 52 HG11 VAL 6 HG11 VAL 6 -2.436 -6.392 -5.883 53 HG12 VAL 6 HG12 VAL 6 -2.433 -7.611 -7.159 54 HG13 VAL 6 HG13 VAL 6 -2.380 -5.899 -7.576 55 HG21 VAL 6 HG21 VAL 6 -0.608 -8.764 -7.336 56 HG22 VAL 6 HG22 VAL 6 1.012 -8.069 -7.382 57 HG23 VAL 6 HG23 VAL 6 -0.140 -7.707 -8.667 58 H ILE 7 H ILE 7 0.408 -4.360 -5.159 59 HA ILE 7 HA ILE 7 -1.963 -2.818 -4.859 60 HB ILE 7 HB ILE 7 0.789 -2.310 -3.694 61 HG12 ILE 7 HG13 ILE 7 -1.558 -3.787 -2.473 62 HG13 ILE 7 HG12 ILE 7 -0.243 -4.604 -3.318 63 HG21 ILE 7 HG21 ILE 7 -1.980 -1.406 -2.842 64 HG22 ILE 7 HG22 ILE 7 -0.688 -0.373 -3.455 65 HG23 ILE 7 HG23 ILE 7 -0.511 -1.174 -1.893 66 HD11 ILE 7 HD11 ILE 7 -0.302 -3.672 -0.610 67 HD12 ILE 7 HD12 ILE 7 0.936 -2.771 -1.485 68 HD13 ILE 7 HD13 ILE 7 0.990 -4.533 -1.446 69 H ALA 8 H ALA 8 1.215 -2.013 -6.196 70 HA ALA 8 HA ALA 8 0.759 0.766 -6.599 71 HB1 ALA 8 HB1 ALA 8 2.896 -0.800 -6.930 72 HB2 ALA 8 HB2 ALA 8 2.740 0.735 -7.786 73 HB3 ALA 8 HB3 ALA 8 2.345 -0.776 -8.605 74 H GLN 9 H GLN 9 -0.074 -2.077 -8.535 75 HA GLN 9 HA GLN 9 -0.944 -0.646 -10.866 76 HB2 GLN 9 HB3 GLN 9 -1.790 -3.349 -9.784 77 HB3 GLN 9 HB2 GLN 9 -2.192 -2.744 -11.391 78 HG2 GLN 9 HG3 GLN 9 0.244 -2.505 -11.871 79 HG3 GLN 9 HG2 GLN 9 0.594 -3.227 -10.302 80 HE21 GLN 9 HE22 GLN 9 -2.192 -4.726 -11.267 81 HE22 GLN 9 HE21 GLN 9 -1.536 -6.071 -12.066 82 H PHE 10 H PHE 10 -2.634 -1.669 -7.911 83 HA PHE 10 HA PHE 10 -5.262 -0.943 -8.777 84 HB2 PHE 10 HB3 PHE 10 -3.969 -1.312 -6.096 85 HB3 PHE 10 HB2 PHE 10 -5.598 -0.646 -6.195 86 HD1 PHE 10 HD2 PHE 10 -7.397 -1.954 -7.390 87 HD2 PHE 10 HD1 PHE 10 -3.566 -3.640 -6.427 88 HE1 PHE 10 HE2 PHE 10 -8.327 -4.233 -7.688 89 HE2 PHE 10 HE1 PHE 10 -4.499 -5.920 -6.723 90 HZ PHE 10 HZ PHE 10 -6.877 -6.215 -7.350 91 H VAL 11 H VAL 11 -2.924 0.918 -6.806 92 HA VAL 11 HA VAL 11 -4.559 3.232 -6.559 93 HB VAL 11 HB VAL 11 -2.597 3.034 -5.175 94 HG11 VAL 11 HG11 VAL 11 -0.345 2.980 -6.092 95 HG12 VAL 11 HG12 VAL 11 -0.971 3.171 -7.731 96 HG13 VAL 11 HG13 VAL 11 -1.293 1.690 -6.829 97 HG21 VAL 11 HG21 VAL 11 -1.560 5.191 -6.904 98 HG22 VAL 11 HG22 VAL 11 -2.093 5.254 -5.223 99 HG23 VAL 11 HG23 VAL 11 -3.278 5.324 -6.528 100 H VAL 12 H VAL 12 -2.176 2.350 -9.061 101 HA VAL 12 HA VAL 12 -2.382 4.793 -10.533 102 HB VAL 12 HB VAL 12 -1.722 1.991 -11.458 103 HG11 VAL 12 HG11 VAL 12 -0.648 3.170 -13.385 104 HG12 VAL 12 HG12 VAL 12 -1.382 4.674 -12.827 105 HG13 VAL 12 HG13 VAL 12 -2.403 3.340 -13.367 106 HG21 VAL 12 HG21 VAL 12 0.461 3.873 -11.415 107 HG22 VAL 12 HG22 VAL 12 0.302 2.353 -10.535 108 HG23 VAL 12 HG23 VAL 12 -0.324 3.846 -9.836 109 H GLU 13 H GLU 13 -4.095 1.679 -10.895 110 HA GLU 13 HA GLU 13 -5.776 2.619 -13.046 111 HB2 GLU 13 HB3 GLU 13 -6.058 0.290 -11.142 112 HB3 GLU 13 HB2 GLU 13 -7.087 0.556 -12.543 113 HG2 GLU 13 HG3 GLU 13 -5.083 0.518 -14.000 114 HG3 GLU 13 HG2 GLU 13 -4.093 0.167 -12.589 115 H GLU 14 H GLU 14 -5.913 2.827 -9.587 116 HA GLU 14 HA GLU 14 -8.724 3.182 -9.262 117 HB2 GLU 14 HB3 GLU 14 -7.107 2.769 -7.404 118 HB3 GLU 14 HB2 GLU 14 -6.515 4.420 -7.602 119 HG2 GLU 14 HG3 GLU 14 -8.831 5.258 -7.192 120 HG3 GLU 14 HG2 GLU 14 -9.346 3.599 -6.885 121 H PHE 15 H PHE 15 -6.188 5.472 -10.200 122 HA PHE 15 HA PHE 15 -8.362 7.429 -10.761 123 HB2 PHE 15 HB3 PHE 15 -7.308 7.949 -8.536 124 HB3 PHE 15 HB2 PHE 15 -5.779 8.194 -9.378 125 HD1 PHE 15 HD1 PHE 15 -9.313 9.367 -9.203 126 HD2 PHE 15 HD2 PHE 15 -5.313 10.228 -10.508 127 HE1 PHE 15 HE1 PHE 15 -9.996 11.683 -9.768 128 HE2 PHE 15 HE2 PHE 15 -5.996 12.543 -11.077 129 HZ PHE 15 HZ PHE 15 -8.338 13.270 -10.707 130 H LEU 16 H LEU 16 -5.004 6.425 -11.331 131 HA LEU 16 HA LEU 16 -5.087 7.988 -13.883 132 HB2 LEU 16 HB3 LEU 16 -2.950 7.536 -11.861 133 HB3 LEU 16 HB2 LEU 16 -2.461 7.583 -13.554 134 HG LEU 16 HG LEU 16 -4.298 9.699 -12.477 135 HD11 LEU 16 HD11 LEU 16 -1.899 10.932 -12.319 136 HD12 LEU 16 HD12 LEU 16 -1.419 9.302 -11.849 137 HD13 LEU 16 HD13 LEU 16 -2.664 10.153 -10.934 138 HD21 LEU 16 HD21 LEU 16 -3.800 10.769 -14.431 139 HD22 LEU 16 HD22 LEU 16 -3.319 9.160 -14.971 140 HD23 LEU 16 HD23 LEU 16 -2.103 10.289 -14.372 141 HA PRO 17 HA PRO 17 -4.756 3.502 -14.968 142 HB2 PRO 17 HB2 PRO 17 -6.699 3.502 -16.884 143 HB3 PRO 17 HB3 PRO 17 -7.034 3.253 -15.161 144 HG2 PRO 17 HG3 PRO 17 -7.466 5.645 -16.843 145 HG3 PRO 17 HG2 PRO 17 -8.376 5.065 -15.442 146 HD2 PRO 17 HD3 PRO 17 -6.508 7.146 -15.413 147 HD3 PRO 17 HD2 PRO 17 -7.106 6.278 -13.985 148 H ASP 18 H ASP 18 -4.511 6.463 -16.718 149 HA ASP 18 HA ASP 18 -3.548 5.185 -19.185 150 HB2 ASP 18 HB3 ASP 18 -3.804 8.068 -18.326 151 HB3 ASP 18 HB2 ASP 18 -3.189 7.569 -19.896 152 H VAL 19 H VAL 19 -2.200 5.548 -16.252 153 HA VAL 19 HA VAL 19 0.487 6.299 -17.334 154 HB VAL 19 HB VAL 19 -0.456 6.237 -14.452 155 HG11 VAL 19 HG11 VAL 19 1.969 5.870 -14.749 156 HG12 VAL 19 HG12 VAL 19 1.652 7.450 -14.030 157 HG13 VAL 19 HG13 VAL 19 2.067 7.326 -15.740 158 HG21 VAL 19 HG21 VAL 19 -0.500 8.674 -14.609 159 HG22 VAL 19 HG22 VAL 19 -1.554 7.997 -15.850 160 HG23 VAL 19 HG23 VAL 19 0.044 8.602 -16.285 161 H ALA 20 H ALA 20 2.094 4.773 -17.295 162 HA ALA 20 HA ALA 20 1.408 2.023 -16.738 163 HB1 ALA 20 HB1 ALA 20 3.155 2.996 -18.409 164 HB2 ALA 20 HB2 ALA 20 3.534 1.492 -17.569 165 HB3 ALA 20 HB3 ALA 20 4.232 3.013 -17.012 166 HA PRO 21 HA PRO 21 2.124 2.426 -12.260 167 HB2 PRO 21 HB2 PRO 21 2.456 -0.525 -12.467 168 HB3 PRO 21 HB3 PRO 21 1.414 0.420 -11.388 169 HG2 PRO 21 HG3 PRO 21 0.467 -0.933 -13.507 170 HG3 PRO 21 HG2 PRO 21 -0.264 0.567 -12.918 171 HD2 PRO 21 HD3 PRO 21 1.338 0.102 -15.371 172 HD3 PRO 21 HD2 PRO 21 0.133 1.363 -15.021 173 H ALA 22 H ALA 22 4.153 0.627 -14.510 174 HA ALA 22 HA ALA 22 6.372 0.184 -12.743 175 HB1 ALA 22 HB1 ALA 22 5.762 -0.474 -15.369 176 HB2 ALA 22 HB2 ALA 22 7.299 -0.793 -14.564 177 HB3 ALA 22 HB3 ALA 22 7.100 0.663 -15.540 178 H ASP 23 H ASP 23 5.217 2.980 -14.445 179 HA ASP 23 HA ASP 23 7.757 4.427 -14.284 180 HB2 ASP 23 HB3 ASP 23 6.062 4.855 -16.078 181 HB3 ASP 23 HB2 ASP 23 4.976 5.498 -14.845 182 H VAL 24 H VAL 24 5.699 3.472 -11.940 183 HA VAL 24 HA VAL 24 5.910 6.031 -10.402 184 HB VAL 24 HB VAL 24 4.255 3.604 -9.689 185 HG11 VAL 24 HG11 VAL 24 4.026 6.521 -8.893 186 HG12 VAL 24 HG12 VAL 24 4.785 5.270 -7.908 187 HG13 VAL 24 HG13 VAL 24 3.061 5.182 -8.269 188 HG21 VAL 24 HG21 VAL 24 2.342 5.069 -10.604 189 HG22 VAL 24 HG22 VAL 24 3.376 4.286 -11.800 190 HG23 VAL 24 HG23 VAL 24 3.598 5.995 -11.426 191 H ASP 25 H ASP 25 7.243 6.069 -8.622 192 HA ASP 25 HA ASP 25 8.783 3.618 -8.043 193 HB2 ASP 25 HB3 ASP 25 8.984 6.447 -6.962 194 HB3 ASP 25 HB2 ASP 25 10.073 5.132 -6.522 195 H VAL 26 H VAL 26 8.066 2.233 -6.494 196 HA VAL 26 HA VAL 26 5.913 2.983 -4.691 197 HB VAL 26 HB VAL 26 6.189 0.701 -3.806 198 HG11 VAL 26 HG11 VAL 26 6.223 -0.429 -6.237 199 HG12 VAL 26 HG12 VAL 26 6.057 1.256 -6.730 200 HG13 VAL 26 HG13 VAL 26 4.852 0.524 -5.670 201 HG21 VAL 26 HG21 VAL 26 8.034 -0.579 -5.332 202 HG22 VAL 26 HG22 VAL 26 8.390 0.071 -3.731 203 HG23 VAL 26 HG23 VAL 26 8.805 0.999 -5.172 204 H ASP 27 H ASP 27 9.045 3.859 -4.656 205 HA ASP 27 HA ASP 27 9.511 3.445 -1.764 206 HB2 ASP 27 HB3 ASP 27 11.188 4.695 -3.960 207 HB3 ASP 27 HB2 ASP 27 11.691 4.587 -2.277 208 H LEU 28 H LEU 28 7.859 5.577 -3.680 209 HA LEU 28 HA LEU 28 8.527 7.973 -2.058 210 HB2 LEU 28 HB3 LEU 28 8.336 8.192 -4.533 211 HB3 LEU 28 HB2 LEU 28 6.653 7.687 -4.428 212 HG LEU 28 HG LEU 28 6.259 9.620 -2.849 213 HD11 LEU 28 HD11 LEU 28 8.336 10.249 -1.994 214 HD12 LEU 28 HD12 LEU 28 8.103 11.462 -3.252 215 HD13 LEU 28 HD13 LEU 28 9.145 10.072 -3.551 216 HD21 LEU 28 HD21 LEU 28 5.494 10.578 -4.736 217 HD22 LEU 28 HD22 LEU 28 6.610 9.607 -5.696 218 HD23 LEU 28 HD23 LEU 28 7.117 11.179 -5.074 219 H ASP 29 H ASP 29 7.073 8.811 -0.567 220 HA ASP 29 HA ASP 29 5.099 7.086 0.528 221 HB2 ASP 29 HB3 ASP 29 5.414 10.096 0.778 222 HB3 ASP 29 HB2 ASP 29 4.326 9.127 1.772 223 H LEU 30 H LEU 30 2.940 6.887 0.177 224 HA LEU 30 HA LEU 30 1.867 7.809 -2.348 225 HB2 LEU 30 HB3 LEU 30 1.400 5.638 -0.856 226 HB3 LEU 30 HB2 LEU 30 0.101 6.658 -0.244 227 HG LEU 30 HG LEU 30 0.612 6.014 -3.162 228 HD11 LEU 30 HD11 LEU 30 -0.750 4.245 -2.879 229 HD12 LEU 30 HD12 LEU 30 -1.971 5.261 -2.114 230 HD13 LEU 30 HD13 LEU 30 -0.692 4.535 -1.139 231 HD21 LEU 30 HD21 LEU 30 -1.804 7.085 -3.191 232 HD22 LEU 30 HD22 LEU 30 -0.375 8.117 -3.233 233 HD23 LEU 30 HD23 LEU 30 -1.242 7.872 -1.717 234 H VAL 31 H VAL 31 1.378 8.679 1.046 235 HA VAL 31 HA VAL 31 -0.906 10.342 0.655 236 HB VAL 31 HB VAL 31 -0.117 11.398 2.824 237 HG11 VAL 31 HG11 VAL 31 -0.950 8.687 2.230 238 HG12 VAL 31 HG12 VAL 31 -1.452 9.734 3.558 239 HG13 VAL 31 HG13 VAL 31 -0.005 8.738 3.718 240 HG21 VAL 31 HG21 VAL 31 1.797 9.352 3.439 241 HG22 VAL 31 HG22 VAL 31 2.019 11.101 3.468 242 HG23 VAL 31 HG23 VAL 31 2.319 10.199 1.984 243 H ASP 32 H ASP 32 2.569 11.055 0.486 244 HA ASP 32 HA ASP 32 2.430 13.870 0.332 245 HB2 ASP 32 HB3 ASP 32 4.281 11.933 -1.095 246 HB3 ASP 32 HB2 ASP 32 4.520 13.680 -1.068 247 H ASN 33 H ASN 33 1.747 11.389 -2.048 248 HA ASN 33 HA ASN 33 1.519 13.155 -4.316 249 HB2 ASN 33 HB3 ASN 33 0.433 10.401 -3.745 250 HB3 ASN 33 HB2 ASN 33 0.256 11.200 -5.295 251 HD21 ASN 33 HD22 ASN 33 1.734 8.781 -5.119 252 HD22 ASN 33 HD21 ASN 33 3.377 9.118 -5.381 253 H GLY 34 H GLY 34 -0.741 12.009 -1.853 254 HA2 GLY 34 HA3 GLY 34 -2.780 13.043 -1.207 255 HA3 GLY 34 HA2 GLY 34 -2.598 14.171 -2.552 256 H VAL 35 H VAL 35 -2.094 11.063 -3.670 257 HA VAL 35 HA VAL 35 -4.445 11.045 -5.290 258 HB VAL 35 HB VAL 35 -2.580 8.798 -4.476 259 HG11 VAL 35 HG11 VAL 35 -3.670 7.965 -6.800 260 HG12 VAL 35 HG12 VAL 35 -5.042 8.857 -6.145 261 HG13 VAL 35 HG13 VAL 35 -4.337 7.525 -5.228 262 HG21 VAL 35 HG21 VAL 35 -2.729 9.948 -7.225 263 HG22 VAL 35 HG22 VAL 35 -1.332 9.337 -6.338 264 HG23 VAL 35 HG23 VAL 35 -1.973 10.940 -5.978 265 H ILE 36 H ILE 36 -3.718 9.684 -2.122 266 HA ILE 36 HA ILE 36 -6.206 8.178 -1.960 267 HB ILE 36 HB ILE 36 -4.193 8.999 0.154 268 HG12 ILE 36 HG13 ILE 36 -4.722 6.307 -1.139 269 HG13 ILE 36 HG12 ILE 36 -3.454 7.409 -1.653 270 HG21 ILE 36 HG21 ILE 36 -5.781 8.382 1.634 271 HG22 ILE 36 HG22 ILE 36 -5.608 6.745 0.998 272 HG23 ILE 36 HG23 ILE 36 -6.848 7.816 0.348 273 HD11 ILE 36 HD11 ILE 36 -2.156 6.345 -0.122 274 HD12 ILE 36 HD12 ILE 36 -3.555 5.646 0.692 275 HD13 ILE 36 HD13 ILE 36 -3.044 7.291 1.070 276 H ASP 37 H ASP 37 -8.096 9.251 -1.852 277 HA ASP 37 HA ASP 37 -8.239 11.760 -0.250 278 HB2 ASP 37 HB3 ASP 37 -9.930 10.735 -2.549 279 HB3 ASP 37 HB2 ASP 37 -10.333 12.159 -1.597 280 H ALA 38 H ALA 38 -11.020 11.795 0.096 281 HA ALA 38 HA ALA 38 -11.335 10.002 2.326 282 HB1 ALA 38 HB1 ALA 38 -12.680 11.866 2.597 283 HB2 ALA 38 HB2 ALA 38 -13.865 10.757 1.907 284 HB3 ALA 38 HB3 ALA 38 -13.077 11.956 0.882 285 H LEU 39 H LEU 39 -12.951 10.103 -0.855 286 HA LEU 39 HA LEU 39 -14.177 7.509 -0.523 287 HB2 LEU 39 HB3 LEU 39 -13.645 9.209 -2.967 288 HB3 LEU 39 HB2 LEU 39 -14.529 7.690 -3.022 289 HG LEU 39 HG LEU 39 -16.079 8.654 -1.270 290 HD11 LEU 39 HD11 LEU 39 -14.942 10.452 -0.297 291 HD12 LEU 39 HD12 LEU 39 -16.045 11.270 -1.402 292 HD13 LEU 39 HD13 LEU 39 -14.355 11.050 -1.849 293 HD21 LEU 39 HD21 LEU 39 -16.716 8.557 -3.636 294 HD22 LEU 39 HD22 LEU 39 -15.876 10.077 -3.940 295 HD23 LEU 39 HD23 LEU 39 -17.311 10.053 -2.916 296 H GLY 40 H GLY 40 -11.183 8.765 -1.808 297 HA2 GLY 40 HA3 GLY 40 -10.254 6.465 -3.179 298 HA3 GLY 40 HA2 GLY 40 -9.214 7.691 -2.447 299 H LEU 41 H LEU 41 -9.970 7.429 0.230 300 HA LEU 41 HA LEU 41 -8.397 5.185 1.056 301 HB2 LEU 41 HB3 LEU 41 -8.709 7.280 2.379 302 HB3 LEU 41 HB2 LEU 41 -10.382 6.809 2.676 303 HG LEU 41 HG LEU 41 -8.371 4.733 3.300 304 HD11 LEU 41 HD11 LEU 41 -8.438 7.424 4.645 305 HD12 LEU 41 HD12 LEU 41 -7.041 6.439 4.209 306 HD13 LEU 41 HD13 LEU 41 -8.050 5.981 5.581 307 HD21 LEU 41 HD21 LEU 41 -9.910 4.197 4.984 308 HD22 LEU 41 HD22 LEU 41 -10.960 4.882 3.745 309 HD23 LEU 41 HD23 LEU 41 -10.477 5.860 5.129 310 H LEU 42 H LEU 42 -11.906 5.766 0.963 311 HA LEU 42 HA LEU 42 -12.717 3.326 2.189 312 HB2 LEU 42 HB3 LEU 42 -14.264 5.198 1.725 313 HB3 LEU 42 HB2 LEU 42 -14.086 4.916 -0.006 314 HG LEU 42 HG LEU 42 -14.798 2.427 0.806 315 HD11 LEU 42 HD11 LEU 42 -16.485 4.241 2.525 316 HD12 LEU 42 HD12 LEU 42 -15.050 3.438 3.162 317 HD13 LEU 42 HD13 LEU 42 -16.396 2.479 2.549 318 HD21 LEU 42 HD21 LEU 42 -17.202 3.268 0.247 319 HD22 LEU 42 HD22 LEU 42 -15.948 3.395 -0.990 320 HD23 LEU 42 HD23 LEU 42 -16.410 4.817 -0.051 321 H LYS 43 H LYS 43 -12.170 4.125 -1.226 322 HA LYS 43 HA LYS 43 -12.816 1.563 -2.272 323 HB2 LYS 43 HB3 LYS 43 -10.938 3.692 -3.301 324 HB3 LYS 43 HB2 LYS 43 -11.427 2.281 -4.229 325 HG2 LYS 43 HG3 LYS 43 -13.809 2.964 -3.948 326 HG3 LYS 43 HG2 LYS 43 -13.261 4.427 -3.129 327 HD2 LYS 43 HD3 LYS 43 -11.941 5.023 -5.166 328 HD3 LYS 43 HD2 LYS 43 -12.626 3.617 -5.981 329 HE2 LYS 43 HE3 LYS 43 -13.801 6.231 -5.575 330 HE3 LYS 43 HE2 LYS 43 -14.385 4.895 -6.567 331 HZ1 LYS 43 HZ1 LYS 43 -14.839 5.294 -3.663 332 HZ2 LYS 43 HZ2 LYS 43 -15.261 3.882 -4.502 333 HZ3 LYS 43 HZ3 LYS 43 -16.001 5.358 -4.900 334 H VAL 44 H VAL 44 -9.830 2.862 -0.916 335 HA VAL 44 HA VAL 44 -8.063 0.805 -1.756 336 HB VAL 44 HB VAL 44 -8.043 2.580 0.688 337 HG11 VAL 44 HG11 VAL 44 -6.666 0.811 1.375 338 HG12 VAL 44 HG12 VAL 44 -5.517 1.890 0.586 339 HG13 VAL 44 HG13 VAL 44 -6.121 0.470 -0.267 340 HG21 VAL 44 HG21 VAL 44 -6.083 2.745 -1.558 341 HG22 VAL 44 HG22 VAL 44 -6.780 4.037 -0.581 342 HG23 VAL 44 HG23 VAL 44 -7.725 3.304 -1.877 343 H ILE 45 H ILE 45 -9.880 1.107 1.303 344 HA ILE 45 HA ILE 45 -9.041 -1.447 2.307 345 HB ILE 45 HB ILE 45 -11.355 0.374 2.990 346 HG12 ILE 45 HG13 ILE 45 -9.871 0.413 5.167 347 HG13 ILE 45 HG12 ILE 45 -8.597 -0.144 4.085 348 HG21 ILE 45 HG21 ILE 45 -12.121 -1.787 3.598 349 HG22 ILE 45 HG22 ILE 45 -11.463 -1.095 5.080 350 HG23 ILE 45 HG23 ILE 45 -10.525 -2.277 4.167 351 HD11 ILE 45 HD11 ILE 45 -10.298 2.307 3.552 352 HD12 ILE 45 HD12 ILE 45 -8.860 1.794 2.669 353 HD13 ILE 45 HD13 ILE 45 -8.718 2.360 4.331 354 H ALA 46 H ALA 46 -11.798 -0.440 0.328 355 HA ALA 46 HA ALA 46 -13.331 -2.832 0.639 356 HB1 ALA 46 HB1 ALA 46 -14.395 -0.901 -0.280 357 HB2 ALA 46 HB2 ALA 46 -14.363 -2.108 -1.565 358 HB3 ALA 46 HB3 ALA 46 -13.202 -0.779 -1.574 359 H TRP 47 H TRP 47 -11.042 -1.936 -1.992 360 HA TRP 47 HA TRP 47 -11.318 -4.615 -3.150 361 HB2 TRP 47 HB3 TRP 47 -10.575 -3.529 -4.970 362 HB3 TRP 47 HB2 TRP 47 -10.275 -2.087 -4.001 363 HD1 TRP 47 HD1 TRP 47 -8.529 -5.458 -4.777 364 HE1 TRP 47 HE1 TRP 47 -5.980 -5.051 -4.755 365 HE3 TRP 47 HE3 TRP 47 -8.444 -0.539 -3.490 366 HZ2 TRP 47 HZ2 TRP 47 -4.152 -2.910 -4.254 367 HZ3 TRP 47 HZ3 TRP 47 -6.293 0.674 -3.242 368 HH2 TRP 47 HH2 TRP 47 -4.146 -0.508 -3.625 369 H LEU 48 H LEU 48 -8.800 -2.843 -1.364 370 HA LEU 48 HA LEU 48 -6.816 -4.861 -1.454 371 HB2 LEU 48 HB3 LEU 48 -6.477 -2.525 -0.613 372 HB3 LEU 48 HB2 LEU 48 -7.373 -2.956 0.838 373 HG LEU 48 HG LEU 48 -5.707 -4.818 1.196 374 HD11 LEU 48 HD11 LEU 48 -3.494 -3.771 -0.173 375 HD12 LEU 48 HD12 LEU 48 -4.788 -3.815 -1.371 376 HD13 LEU 48 HD13 LEU 48 -4.323 -5.288 -0.521 377 HD21 LEU 48 HD21 LEU 48 -5.433 -1.973 1.589 378 HD22 LEU 48 HD22 LEU 48 -3.841 -2.707 1.390 379 HD23 LEU 48 HD23 LEU 48 -4.928 -3.287 2.652 380 H GLU 49 H GLU 49 -9.482 -4.380 0.870 381 HA GLU 49 HA GLU 49 -8.712 -6.642 2.502 382 HB2 GLU 49 HB3 GLU 49 -10.726 -6.251 3.695 383 HB3 GLU 49 HB2 GLU 49 -10.174 -4.658 3.198 384 HG2 GLU 49 HG3 GLU 49 -12.391 -4.546 2.546 385 HG3 GLU 49 HG2 GLU 49 -11.655 -5.173 1.076 386 H ASP 50 H ASP 50 -10.911 -6.176 -0.233 387 HA ASP 50 HA ASP 50 -12.244 -8.682 -0.111 388 HB2 ASP 50 HB3 ASP 50 -12.837 -6.740 -1.596 389 HB3 ASP 50 HB2 ASP 50 -11.474 -7.191 -2.619 390 H ARG 51 H ARG 51 -9.141 -7.802 -1.586 391 HA ARG 51 HA ARG 51 -8.697 -10.229 -2.983 392 HB2 ARG 51 HB3 ARG 51 -6.758 -8.257 -1.787 393 HB3 ARG 51 HB2 ARG 51 -6.278 -9.583 -2.842 394 HG2 ARG 51 HG3 ARG 51 -7.845 -8.711 -4.580 395 HG3 ARG 51 HG2 ARG 51 -8.182 -7.332 -3.533 396 HD2 ARG 51 HD3 ARG 51 -6.472 -6.699 -5.147 397 HD3 ARG 51 HD2 ARG 51 -5.744 -6.783 -3.543 398 HE ARG 51 HE ARG 51 -4.483 -8.664 -4.262 399 HH11 ARG 51 HH22 ARG 51 -6.989 -7.798 -6.465 400 HH12 ARG 51 HH21 ARG 51 -6.433 -8.854 -7.720 401 HH21 ARG 51 HH11 ARG 51 -3.742 -10.048 -5.887 402 HH22 ARG 51 HH12 ARG 51 -4.594 -10.129 -7.393 403 H PHE 52 H PHE 52 -7.959 -9.395 0.413 404 HA PHE 52 HA PHE 52 -6.771 -12.087 0.742 405 HB2 PHE 52 HB3 PHE 52 -6.927 -9.670 2.556 406 HB3 PHE 52 HB2 PHE 52 -6.263 -11.221 3.062 407 HD1 PHE 52 HD1 PHE 52 -4.193 -12.097 2.092 408 HD2 PHE 52 HD2 PHE 52 -5.791 -8.298 0.881 409 HE1 PHE 52 HE1 PHE 52 -2.040 -11.543 0.991 410 HE2 PHE 52 HE2 PHE 52 -3.638 -7.743 -0.218 411 HZ PHE 52 HZ PHE 52 -1.762 -9.366 -0.164 412 H GLY 53 H GLY 53 -9.804 -10.638 1.029 413 HA2 GLY 53 HA3 GLY 53 -11.819 -11.553 1.823 414 HA3 GLY 53 HA2 GLY 53 -10.926 -13.022 2.226 415 H ILE 54 H ILE 54 -9.955 -9.860 3.376 416 HA ILE 54 HA ILE 54 -10.581 -10.786 6.138 417 HB ILE 54 HB ILE 54 -8.833 -9.198 6.851 418 HG12 ILE 54 HG13 ILE 54 -8.577 -8.668 3.873 419 HG13 ILE 54 HG12 ILE 54 -9.171 -7.524 5.077 420 HG21 ILE 54 HG21 ILE 54 -6.915 -10.372 5.837 421 HG22 ILE 54 HG22 ILE 54 -7.965 -10.997 4.567 422 HG23 ILE 54 HG23 ILE 54 -8.201 -11.510 6.237 423 HD11 ILE 54 HD11 ILE 54 -6.394 -8.737 5.009 424 HD12 ILE 54 HD12 ILE 54 -6.988 -7.619 6.237 425 HD13 ILE 54 HD13 ILE 54 -6.808 -7.081 4.567 426 H ALA 55 H ALA 55 -11.567 -9.280 7.613 427 HA ALA 55 HA ALA 55 -13.148 -7.181 6.211 428 HB1 ALA 55 HB1 ALA 55 -13.802 -7.700 9.022 429 HB2 ALA 55 HB2 ALA 55 -13.911 -9.141 8.012 430 HB3 ALA 55 HB3 ALA 55 -14.852 -7.706 7.606 431 H ALA 56 H ALA 56 -12.796 -5.047 6.649 432 HA ALA 56 HA ALA 56 -10.502 -4.239 8.186 433 HB1 ALA 56 HB1 ALA 56 -10.868 -2.497 6.790 434 HB2 ALA 56 HB2 ALA 56 -12.107 -1.977 7.933 435 HB3 ALA 56 HB3 ALA 56 -12.551 -2.961 6.538 436 H ASP 57 H ASP 57 -13.882 -4.676 8.949 437 HA ASP 57 HA ASP 57 -14.146 -3.068 11.243 438 HB2 ASP 57 HB3 ASP 57 -15.957 -4.438 10.138 439 HB3 ASP 57 HB2 ASP 57 -15.283 -5.849 10.951 440 H ASP 58 H ASP 58 -12.582 -6.215 10.879 441 HA ASP 58 HA ASP 58 -12.288 -6.827 13.633 442 HB2 ASP 58 HB3 ASP 58 -10.410 -8.271 12.932 443 HB3 ASP 58 HB2 ASP 58 -11.803 -8.461 11.869 444 H VAL 59 H VAL 59 -10.379 -4.702 11.549 445 HA VAL 59 HA VAL 59 -8.999 -3.733 14.009 446 HB VAL 59 HB VAL 59 -7.476 -5.272 12.767 447 HG11 VAL 59 HG11 VAL 59 -7.063 -3.352 10.574 448 HG12 VAL 59 HG12 VAL 59 -8.627 -4.165 10.524 449 HG13 VAL 59 HG13 VAL 59 -7.140 -5.113 10.526 450 HG21 VAL 59 HG21 VAL 59 -6.344 -2.557 12.272 451 HG22 VAL 59 HG22 VAL 59 -5.645 -3.922 13.142 452 HG23 VAL 59 HG23 VAL 59 -6.869 -2.916 13.917 453 H GLU 60 H GLU 60 -8.718 -1.494 14.050 454 HA GLU 60 HA GLU 60 -10.174 0.012 11.982 455 HB2 GLU 60 HB3 GLU 60 -8.743 0.949 14.487 456 HB3 GLU 60 HB2 GLU 60 -9.762 1.953 13.462 457 HG2 GLU 60 HG3 GLU 60 -11.659 0.417 13.895 458 HG3 GLU 60 HG2 GLU 60 -10.633 -0.502 14.991 459 H LEU 61 H LEU 61 -9.207 1.361 10.466 460 HA LEU 61 HA LEU 61 -6.271 1.109 10.209 461 HB2 LEU 61 HB3 LEU 61 -8.383 2.105 8.281 462 HB3 LEU 61 HB2 LEU 61 -6.666 1.984 7.916 463 HG LEU 61 HG LEU 61 -7.076 -0.513 8.808 464 HD11 LEU 61 HD11 LEU 61 -9.455 -0.185 9.264 465 HD12 LEU 61 HD12 LEU 61 -9.265 -1.305 7.916 466 HD13 LEU 61 HD13 LEU 61 -9.718 0.372 7.612 467 HD21 LEU 61 HD21 LEU 61 -6.106 -0.315 6.698 468 HD22 LEU 61 HD22 LEU 61 -7.390 0.736 6.097 469 HD23 LEU 61 HD23 LEU 61 -7.679 -0.995 6.280 470 H SER 62 H SER 62 -4.927 2.875 10.390 471 HA SER 62 HA SER 62 -6.219 5.478 11.047 472 HB2 SER 62 HB3 SER 62 -4.894 5.364 12.876 473 HB3 SER 62 HB2 SER 62 -4.017 3.982 12.229 474 HG SER 62 HG SER 62 -2.525 5.554 12.258 475 HA PRO 63 HA PRO 63 -4.613 7.382 7.431 476 HB2 PRO 63 HB2 PRO 63 -3.298 9.592 8.607 477 HB3 PRO 63 HB3 PRO 63 -4.978 9.539 8.050 478 HG2 PRO 63 HG3 PRO 63 -3.885 9.288 10.780 479 HG3 PRO 63 HG2 PRO 63 -5.447 9.919 10.237 480 HD2 PRO 63 HD3 PRO 63 -5.202 7.491 11.434 481 HD3 PRO 63 HD2 PRO 63 -6.435 7.819 10.194 482 H GLU 64 H GLU 64 -2.459 6.699 10.093 483 HA GLU 64 HA GLU 64 0.015 7.222 8.711 484 HB2 GLU 64 HB3 GLU 64 -0.602 5.452 11.080 485 HB3 GLU 64 HB2 GLU 64 1.014 5.882 10.547 486 HG2 GLU 64 HG3 GLU 64 0.450 8.273 10.863 487 HG3 GLU 64 HG2 GLU 64 -1.125 7.793 11.485 488 H HIS 65 H HIS 65 -2.218 4.550 8.814 489 HA HIS 65 HA HIS 65 -0.433 2.514 7.884 490 HB2 HIS 65 HB3 HIS 65 -2.437 1.635 8.667 491 HB3 HIS 65 HB2 HIS 65 -3.402 2.894 7.900 492 HD1 HIS 65 HD1 HIS 65 -2.353 -0.553 7.446 493 HD2 HIS 65 HD2 HIS 65 -3.397 2.593 4.912 494 HE1 HIS 65 HE1 HIS 65 -2.897 -1.588 5.196 495 HE2 HIS 65 HE2 HIS 65 -3.526 0.318 3.647 496 H PHE 66 H PHE 66 -1.923 5.205 6.345 497 HA PHE 66 HA PHE 66 -1.412 4.074 3.655 498 HB2 PHE 66 HB3 PHE 66 -2.619 6.769 4.312 499 HB3 PHE 66 HB2 PHE 66 -2.735 5.873 2.801 500 HD1 PHE 66 HD1 PHE 66 -3.600 5.620 6.430 501 HD2 PHE 66 HD2 PHE 66 -4.544 4.420 2.417 502 HE1 PHE 66 HE1 PHE 66 -5.651 4.493 7.252 503 HE2 PHE 66 HE2 PHE 66 -6.595 3.293 3.240 504 HZ PHE 66 HZ PHE 66 -7.144 3.337 5.659 505 H ARG 67 H ARG 67 0.531 5.179 5.792 506 HA ARG 67 HA ARG 67 1.743 7.562 4.979 507 HB2 ARG 67 HB3 ARG 67 3.759 6.681 6.041 508 HB3 ARG 67 HB2 ARG 67 2.344 6.222 6.984 509 HG2 ARG 67 HG3 ARG 67 2.492 4.126 5.259 510 HG3 ARG 67 HG2 ARG 67 4.196 4.531 5.408 511 HD2 ARG 67 HD3 ARG 67 3.473 4.614 8.022 512 HD3 ARG 67 HD2 ARG 67 2.326 3.419 7.422 513 HE ARG 67 HE ARG 67 4.941 2.795 6.448 514 HH11 ARG 67 HH22 ARG 67 2.994 2.867 9.292 515 HH12 ARG 67 HH21 ARG 67 3.829 1.558 10.059 516 HH21 ARG 67 HH11 ARG 67 6.045 1.084 7.434 517 HH22 ARG 67 HH12 ARG 67 5.556 0.549 9.006 518 H SER 68 H SER 68 2.085 4.311 3.574 519 HA SER 68 HA SER 68 3.014 5.460 1.078 520 HB2 SER 68 HB3 SER 68 5.219 4.248 1.115 521 HB3 SER 68 HB2 SER 68 5.119 5.590 2.249 522 HG SER 68 HG SER 68 4.236 3.159 3.209 523 H ILE 69 H ILE 69 3.098 3.872 -0.623 524 HA ILE 69 HA ILE 69 1.216 1.774 -0.451 525 HB ILE 69 HB ILE 69 3.565 1.872 -2.358 526 HG12 ILE 69 HG13 ILE 69 1.455 3.076 -3.644 527 HG13 ILE 69 HG12 ILE 69 1.276 3.688 -2.003 528 HG21 ILE 69 HG21 ILE 69 1.006 1.165 -3.466 529 HG22 ILE 69 HG22 ILE 69 1.340 0.156 -2.059 530 HG23 ILE 69 HG23 ILE 69 2.483 0.205 -3.401 531 HD11 ILE 69 HD11 ILE 69 3.870 4.106 -2.178 532 HD12 ILE 69 HD12 ILE 69 2.749 5.250 -2.914 533 HD13 ILE 69 HD13 ILE 69 3.562 4.047 -3.913 534 H ARG 70 H ARG 70 4.734 1.770 -0.132 535 HA ARG 70 HA ARG 70 5.166 -1.023 0.040 536 HB2 ARG 70 HB3 ARG 70 7.244 -0.392 1.233 537 HB3 ARG 70 HB2 ARG 70 6.972 0.657 -0.161 538 HG2 ARG 70 HG3 ARG 70 5.634 2.080 1.655 539 HG3 ARG 70 HG2 ARG 70 6.754 1.281 2.751 540 HD2 ARG 70 HD3 ARG 70 8.641 2.069 1.302 541 HD3 ARG 70 HD2 ARG 70 7.476 2.968 0.338 542 HE ARG 70 HE ARG 70 7.098 3.745 3.029 543 HH11 ARG 70 HH22 ARG 70 9.497 3.802 0.554 544 HH12 ARG 70 HH21 ARG 70 10.238 5.260 1.120 545 HH21 ARG 70 HH11 ARG 70 8.052 5.652 3.783 546 HH22 ARG 70 HH12 ARG 70 9.420 6.309 2.948 547 H SER 71 H SER 71 4.331 1.347 2.556 548 HA SER 71 HA SER 71 4.430 -0.490 4.756 549 HB2 SER 71 HB3 SER 71 4.373 2.002 4.985 550 HB3 SER 71 HB2 SER 71 2.690 1.977 4.466 551 HG SER 71 HG SER 71 2.367 0.472 6.261 552 H ILE 72 H ILE 72 1.822 0.454 2.528 553 HA ILE 72 HA ILE 72 -0.310 -0.867 3.835 554 HB ILE 72 HB ILE 72 0.164 -0.454 0.869 555 HG12 ILE 72 HG13 ILE 72 -1.422 1.185 2.872 556 HG13 ILE 72 HG12 ILE 72 0.185 1.612 2.287 557 HG21 ILE 72 HG21 ILE 72 -2.333 -0.610 0.769 558 HG22 ILE 72 HG22 ILE 72 -2.324 -1.116 2.458 559 HG23 ILE 72 HG23 ILE 72 -1.555 -2.122 1.232 560 HD11 ILE 72 HD11 ILE 72 -1.088 2.804 0.774 561 HD12 ILE 72 HD12 ILE 72 -2.431 1.666 0.848 562 HD13 ILE 72 HD13 ILE 72 -0.988 1.268 -0.085 563 H ASP 73 H ASP 73 1.939 -2.091 1.331 564 HA ASP 73 HA ASP 73 0.820 -4.699 1.142 565 HB2 ASP 73 HB3 ASP 73 2.701 -3.592 -0.276 566 HB3 ASP 73 HB2 ASP 73 3.787 -4.186 0.978 567 H ALA 74 H ALA 74 3.342 -3.390 3.278 568 HA ALA 74 HA ALA 74 3.831 -5.861 4.663 569 HB1 ALA 74 HB1 ALA 74 4.175 -3.205 6.011 570 HB2 ALA 74 HB2 ALA 74 5.178 -3.584 4.611 571 HB3 ALA 74 HB3 ALA 74 5.234 -4.616 6.041 572 H PHE 75 H PHE 75 1.588 -3.179 5.207 573 HA PHE 75 HA PHE 75 0.680 -4.002 7.785 574 HB2 PHE 75 HB3 PHE 75 0.182 -1.787 6.752 575 HB3 PHE 75 HB2 PHE 75 -0.907 -2.599 5.631 576 HD1 PHE 75 HD2 PHE 75 -0.355 -1.626 9.140 577 HD2 PHE 75 HD1 PHE 75 -3.031 -3.538 6.377 578 HE1 PHE 75 HE2 PHE 75 -2.163 -1.548 10.837 579 HE2 PHE 75 HE1 PHE 75 -4.839 -3.458 8.073 580 HZ PHE 75 HZ PHE 75 -4.404 -2.465 10.303 581 H VAL 76 H VAL 76 -0.639 -4.703 4.529 582 HA VAL 76 HA VAL 76 -2.726 -6.421 5.492 583 HB VAL 76 HB VAL 76 -1.352 -6.221 2.800 584 HG11 VAL 76 HG11 VAL 76 -3.345 -8.089 3.870 585 HG12 VAL 76 HG12 VAL 76 -2.367 -8.202 2.408 586 HG13 VAL 76 HG13 VAL 76 -3.864 -7.272 2.396 587 HG21 VAL 76 HG21 VAL 76 -3.833 -5.025 4.041 588 HG22 VAL 76 HG22 VAL 76 -3.660 -5.159 2.291 589 HG23 VAL 76 HG23 VAL 76 -2.510 -4.196 3.219 590 H VAL 77 H VAL 77 0.507 -7.139 4.099 591 HA VAL 77 HA VAL 77 0.254 -9.984 4.513 592 HB VAL 77 HB VAL 77 2.639 -8.167 4.068 593 HG11 VAL 77 HG11 VAL 77 3.563 -10.014 5.202 594 HG12 VAL 77 HG12 VAL 77 3.739 -10.439 3.500 595 HG13 VAL 77 HG13 VAL 77 2.439 -11.148 4.456 596 HG21 VAL 77 HG21 VAL 77 2.545 -8.929 1.817 597 HG22 VAL 77 HG22 VAL 77 0.866 -8.603 2.245 598 HG23 VAL 77 HG23 VAL 77 1.465 -10.261 2.229 599 H GLY 78 H GLY 78 1.794 -7.349 6.300 600 HA2 GLY 78 HA3 GLY 78 2.970 -8.876 8.369 601 HA3 GLY 78 HA2 GLY 78 2.486 -7.191 8.525 602 H ALA 79 H ALA 79 -0.347 -7.793 7.914 603 HA ALA 79 HA ALA 79 -1.230 -8.268 10.609 604 HB1 ALA 79 HB1 ALA 79 -3.528 -8.450 9.404 605 HB2 ALA 79 HB2 ALA 79 -2.626 -7.999 7.958 606 HB3 ALA 79 HB3 ALA 79 -2.669 -6.911 9.344 607 H THR 80 H THR 80 -1.226 -10.310 7.695 608 HA THR 80 HA THR 80 -2.508 -12.524 9.107 609 HB THR 80 HB THR 80 -2.188 -13.761 7.038 610 HG1 THR 80 HG1 THR 80 -0.642 -11.551 6.171 611 HG21 THR 80 HG21 THR 80 -2.792 -11.441 5.544 612 HG22 THR 80 HG22 THR 80 -3.397 -11.144 7.173 613 HG23 THR 80 HG23 THR 80 -3.934 -12.566 6.278 614 H THR 81 H THR 81 0.753 -11.515 8.303 615 HA THR 81 HA THR 81 1.777 -13.755 9.972 616 HB THR 81 HB THR 81 2.254 -14.401 7.704 617 HG1 THR 81 HG1 THR 81 4.387 -14.589 7.889 618 HG21 THR 81 HG21 THR 81 1.885 -12.441 6.453 619 HG22 THR 81 HG22 THR 81 3.614 -12.739 6.272 620 HG23 THR 81 HG23 THR 81 3.046 -11.514 7.404 621 HA PRO 82 HA PRO 82 3.932 -10.727 12.379 622 HB2 PRO 82 HB2 PRO 82 6.432 -12.189 11.655 623 HB3 PRO 82 HB3 PRO 82 5.853 -11.679 13.250 624 HG2 PRO 82 HG3 PRO 82 5.680 -14.223 12.376 625 HG3 PRO 82 HG2 PRO 82 4.514 -13.504 13.497 626 HD2 PRO 82 HD3 PRO 82 4.133 -14.279 10.684 627 HD3 PRO 82 HD2 PRO 82 2.917 -13.937 11.930 628 HA PRO 83 HA PRO 83 5.242 -7.971 9.098 629 HB2 PRO 83 HB2 PRO 83 6.421 -6.018 10.684 630 HB3 PRO 83 HB3 PRO 83 4.703 -6.115 10.272 631 HG2 PRO 83 HG3 PRO 83 6.092 -6.846 12.768 632 HG3 PRO 83 HG2 PRO 83 4.434 -6.280 12.518 633 HD2 PRO 83 HD3 PRO 83 5.109 -8.900 13.059 634 HD3 PRO 83 HD2 PRO 83 3.618 -8.407 12.229 635 H VAL 84 H VAL 84 7.091 -7.552 7.921 636 HA VAL 84 HA VAL 84 9.627 -8.649 9.050 637 HB VAL 84 HB VAL 84 8.764 -9.654 6.926 638 HG11 VAL 84 HG11 VAL 84 9.487 -7.048 5.596 639 HG12 VAL 84 HG12 VAL 84 7.850 -7.334 6.186 640 HG13 VAL 84 HG13 VAL 84 8.539 -8.388 4.952 641 HG21 VAL 84 HG21 VAL 84 10.937 -10.049 6.479 642 HG22 VAL 84 HG22 VAL 84 11.375 -8.691 7.517 643 HG23 VAL 84 HG23 VAL 84 11.110 -8.433 5.793 644 H GLU 85 H GLU 85 11.294 -7.263 9.436 645 HA GLU 85 HA GLU 85 12.223 -5.111 9.840 646 HB2 GLU 85 HB3 GLU 85 11.988 -5.247 6.820 647 HB3 GLU 85 HB2 GLU 85 13.046 -4.146 7.704 648 HG2 GLU 85 HG3 GLU 85 14.169 -6.104 8.750 649 HG3 GLU 85 HG2 GLU 85 13.153 -7.175 7.785 650 H ALA 86 H ALA 86 9.477 -4.875 10.277 651 HA ALA 86 HA ALA 86 8.055 -3.020 8.713 652 HB1 ALA 86 HB1 ALA 86 7.945 -3.995 11.464 653 HB2 ALA 86 HB2 ALA 86 6.625 -3.558 10.380 654 HB3 ALA 86 HB3 ALA 86 7.431 -2.313 11.337 655 H LYS 87 H LYS 87 7.908 -0.712 8.773 656 HA LYS 87 HA LYS 87 10.344 0.710 8.975 657 HB2 LYS 87 HB3 LYS 87 7.503 1.751 9.220 658 HB3 LYS 87 HB2 LYS 87 8.925 2.763 8.967 659 HG2 LYS 87 HG3 LYS 87 9.405 1.480 6.870 660 HG3 LYS 87 HG2 LYS 87 7.889 0.608 7.102 661 HD2 LYS 87 HD3 LYS 87 6.692 2.815 7.112 662 HD3 LYS 87 HD2 LYS 87 8.219 3.595 6.703 663 HE2 LYS 87 HE3 LYS 87 6.858 1.443 5.054 664 HE3 LYS 87 HE2 LYS 87 6.855 3.167 4.680 665 HZ1 LYS 87 HZ1 LYS 87 8.900 3.045 3.851 666 HZ2 LYS 87 HZ2 LYS 87 8.720 1.359 3.867 667 HZ3 LYS 87 HZ3 LYS 87 9.485 2.144 5.166 668 H LEU 88 H LEU 88 7.822 0.133 11.388 669 HA LEU 88 HA LEU 88 9.318 1.766 13.364 670 HB2 LEU 88 HB3 LEU 88 6.690 0.284 13.684 671 HB3 LEU 88 HB2 LEU 88 7.372 1.467 14.802 672 HG LEU 88 HG LEU 88 6.488 1.994 11.949 673 HD11 LEU 88 HD11 LEU 88 4.516 2.021 13.170 674 HD12 LEU 88 HD12 LEU 88 5.045 3.688 13.402 675 HD13 LEU 88 HD13 LEU 88 5.327 2.489 14.664 676 HD21 LEU 88 HD21 LEU 88 6.936 4.432 12.861 677 HD22 LEU 88 HD22 LEU 88 8.269 3.477 12.214 678 HD23 LEU 88 HD23 LEU 88 8.039 3.600 13.958 679 H GLN 89 H GLN 89 10.349 0.839 15.142 680 HA GLN 89 HA GLN 89 10.899 -2.048 14.935 681 HB2 GLN 89 HB3 GLN 89 11.967 0.085 16.811 682 HB3 GLN 89 HB2 GLN 89 12.519 -1.591 16.781 683 HG2 GLN 89 HG3 GLN 89 13.222 -1.339 14.441 684 HG3 GLN 89 HG2 GLN 89 12.634 0.324 14.432 685 HE21 GLN 89 HE22 GLN 89 15.384 -0.244 13.914 686 HE22 GLN 89 HE21 GLN 89 16.312 0.349 15.207 Start of MODEL 15 1 H1 SER -1 H1 SER -1 7.487 -11.974 5.598 2 H2 SER -1 H2 SER -1 6.523 -11.998 4.199 3 H3 SER -1 H3 SER -1 6.041 -11.089 5.551 4 HA SER -1 HA SER -1 7.073 -9.328 4.733 5 HB2 SER -1 HB3 SER -1 9.630 -10.912 4.530 6 HB3 SER -1 HB2 SER -1 9.420 -9.214 4.945 7 HG SER -1 HG SER -1 8.033 -10.785 6.636 8 H GLU 0 H GLU 0 6.816 -12.117 2.925 9 HA GLU 0 HA GLU 0 8.298 -11.566 0.570 10 HB2 GLU 0 HB3 GLU 0 5.582 -12.893 0.846 11 HB3 GLU 0 HB2 GLU 0 6.610 -12.974 -0.586 12 HG2 GLU 0 HG3 GLU 0 8.405 -14.007 0.790 13 HG3 GLU 0 HG2 GLU 0 7.321 -13.989 2.182 14 H MET 1 H MET 1 7.819 -10.337 -1.278 15 HA MET 1 HA MET 1 6.342 -7.935 -0.941 16 HB2 MET 1 HB3 MET 1 7.194 -9.384 -3.463 17 HB3 MET 1 HB2 MET 1 6.512 -7.758 -3.448 18 HG2 MET 1 HG3 MET 1 8.343 -7.060 -1.889 19 HG3 MET 1 HG2 MET 1 9.060 -8.661 -2.077 20 HE1 MET 1 HE1 MET 1 9.337 -9.756 -4.185 21 HE2 MET 1 HE2 MET 1 10.095 -9.016 -5.602 22 HE3 MET 1 HE3 MET 1 8.340 -9.084 -5.472 23 H GLN 2 H GLN 2 5.387 -11.076 -2.253 24 HA GLN 2 HA GLN 2 3.279 -11.890 -2.879 25 HB2 GLN 2 HB3 GLN 2 2.366 -9.673 -1.016 26 HB3 GLN 2 HB2 GLN 2 1.348 -10.982 -1.614 27 HG2 GLN 2 HG3 GLN 2 2.818 -12.636 -0.545 28 HG3 GLN 2 HG2 GLN 2 3.870 -11.342 0.032 29 HE21 GLN 2 HE22 GLN 2 2.591 -13.095 1.883 30 HE22 GLN 2 HE21 GLN 2 1.431 -12.214 2.754 31 H HIS 3 H HIS 3 4.387 -10.303 -4.785 32 HA HIS 3 HA HIS 3 3.726 -9.242 -6.776 33 HB2 HIS 3 HB3 HIS 3 0.957 -8.810 -5.677 34 HB3 HIS 3 HB2 HIS 3 1.464 -9.090 -7.339 35 HD1 HIS 3 HD1 HIS 3 2.445 -11.586 -7.826 36 HD2 HIS 3 HD2 HIS 3 0.191 -11.132 -4.345 37 HE1 HIS 3 HE1 HIS 3 1.768 -13.918 -7.100 38 HE2 HIS 3 HE2 HIS 3 0.396 -13.653 -4.982 39 H ALA 4 H ALA 4 5.113 -7.700 -5.119 40 HA ALA 4 HA ALA 4 3.835 -5.408 -4.024 41 HB1 ALA 4 HB1 ALA 4 6.046 -5.530 -3.354 42 HB2 ALA 4 HB2 ALA 4 6.198 -4.353 -4.660 43 HB3 ALA 4 HB3 ALA 4 6.607 -6.045 -4.946 44 H SER 5 H SER 5 5.105 -6.044 -7.284 45 HA SER 5 HA SER 5 4.689 -3.434 -8.348 46 HB2 SER 5 HB3 SER 5 4.468 -6.075 -9.816 47 HB3 SER 5 HB2 SER 5 4.777 -4.500 -10.539 48 HG SER 5 HG SER 5 6.449 -5.326 -8.469 49 H VAL 6 H VAL 6 2.518 -6.227 -8.072 50 HA VAL 6 HA VAL 6 0.358 -5.155 -9.588 51 HB VAL 6 HB VAL 6 0.385 -7.072 -7.256 52 HG11 VAL 6 HG11 VAL 6 -1.928 -7.637 -8.478 53 HG12 VAL 6 HG12 VAL 6 -1.847 -5.918 -8.865 54 HG13 VAL 6 HG13 VAL 6 -1.834 -6.444 -7.182 55 HG21 VAL 6 HG21 VAL 6 0.122 -7.443 -10.255 56 HG22 VAL 6 HG22 VAL 6 0.003 -8.739 -9.065 57 HG23 VAL 6 HG23 VAL 6 1.523 -7.873 -9.276 58 H ILE 7 H ILE 7 1.192 -4.849 -6.158 59 HA ILE 7 HA ILE 7 -1.125 -3.426 -5.323 60 HB ILE 7 HB ILE 7 1.728 -3.142 -4.329 61 HG12 ILE 7 HG13 ILE 7 -0.504 -4.912 -3.286 62 HG13 ILE 7 HG12 ILE 7 0.757 -5.486 -4.377 63 HG21 ILE 7 HG21 ILE 7 0.640 -2.424 -2.228 64 HG22 ILE 7 HG22 ILE 7 -0.938 -2.547 -3.005 65 HG23 ILE 7 HG23 ILE 7 0.226 -1.342 -3.557 66 HD11 ILE 7 HD11 ILE 7 2.095 -5.820 -2.604 67 HD12 ILE 7 HD12 ILE 7 0.879 -5.139 -1.525 68 HD13 ILE 7 HD13 ILE 7 2.070 -4.085 -2.288 69 H ALA 8 H ALA 8 1.995 -2.244 -6.595 70 HA ALA 8 HA ALA 8 1.359 0.538 -6.436 71 HB1 ALA 8 HB1 ALA 8 3.332 0.875 -7.587 72 HB2 ALA 8 HB2 ALA 8 3.035 -0.463 -8.697 73 HB3 ALA 8 HB3 ALA 8 3.600 -0.787 -7.057 74 H GLN 9 H GLN 9 0.877 -1.857 -9.029 75 HA GLN 9 HA GLN 9 -0.233 -0.013 -10.927 76 HB2 GLN 9 HB3 GLN 9 -0.663 -2.997 -10.588 77 HB3 GLN 9 HB2 GLN 9 -1.199 -2.065 -11.986 78 HG2 GLN 9 HG3 GLN 9 1.162 -1.362 -12.375 79 HG3 GLN 9 HG2 GLN 9 1.664 -2.403 -11.046 80 HE21 GLN 9 HE22 GLN 9 -0.917 -3.988 -12.386 81 HE22 GLN 9 HE21 GLN 9 -0.100 -4.975 -13.501 82 H PHE 10 H PHE 10 -1.596 -1.842 -8.250 83 HA PHE 10 HA PHE 10 -4.353 -1.524 -8.858 84 HB2 PHE 10 HB3 PHE 10 -2.761 -2.401 -6.630 85 HB3 PHE 10 HB2 PHE 10 -4.037 -1.335 -6.045 86 HD1 PHE 10 HD2 PHE 10 -6.427 -1.762 -7.137 87 HD2 PHE 10 HD1 PHE 10 -3.257 -4.655 -6.943 88 HE1 PHE 10 HE2 PHE 10 -8.080 -3.592 -7.391 89 HE2 PHE 10 HE1 PHE 10 -4.911 -6.485 -7.195 90 HZ PHE 10 HZ PHE 10 -7.323 -5.953 -7.416 91 H VAL 11 H VAL 11 -2.243 0.529 -6.816 92 HA VAL 11 HA VAL 11 -4.282 2.469 -6.292 93 HB VAL 11 HB VAL 11 -2.311 3.983 -5.772 94 HG11 VAL 11 HG11 VAL 11 -3.183 1.544 -4.506 95 HG12 VAL 11 HG12 VAL 11 -2.645 3.046 -3.754 96 HG13 VAL 11 HG13 VAL 11 -1.469 1.803 -4.182 97 HG21 VAL 11 HG21 VAL 11 -0.730 1.474 -6.400 98 HG22 VAL 11 HG22 VAL 11 -0.085 3.002 -5.805 99 HG23 VAL 11 HG23 VAL 11 -0.764 2.906 -7.428 100 H VAL 12 H VAL 12 -1.843 2.204 -8.862 101 HA VAL 12 HA VAL 12 -2.371 4.746 -10.062 102 HB VAL 12 HB VAL 12 -1.346 2.163 -11.245 103 HG11 VAL 12 HG11 VAL 12 -1.578 4.943 -12.415 104 HG12 VAL 12 HG12 VAL 12 -2.237 3.444 -13.070 105 HG13 VAL 12 HG13 VAL 12 -0.495 3.715 -13.069 106 HG21 VAL 12 HG21 VAL 12 0.541 4.320 -11.137 107 HG22 VAL 12 HG22 VAL 12 0.608 2.768 -10.302 108 HG23 VAL 12 HG23 VAL 12 -0.201 4.142 -9.546 109 H GLU 13 H GLU 13 -3.727 1.500 -10.703 110 HA GLU 13 HA GLU 13 -5.473 2.402 -12.804 111 HB2 GLU 13 HB3 GLU 13 -5.543 -0.038 -11.032 112 HB3 GLU 13 HB2 GLU 13 -6.628 0.214 -12.392 113 HG2 GLU 13 HG3 GLU 13 -4.674 0.420 -13.898 114 HG3 GLU 13 HG2 GLU 13 -3.613 0.096 -12.531 115 H GLU 14 H GLU 14 -5.819 2.108 -9.313 116 HA GLU 14 HA GLU 14 -8.656 2.474 -9.213 117 HB2 GLU 14 HB3 GLU 14 -7.237 1.658 -7.316 118 HB3 GLU 14 HB2 GLU 14 -6.621 3.300 -7.126 119 HG2 GLU 14 HG3 GLU 14 -8.966 4.100 -6.803 120 HG3 GLU 14 HG2 GLU 14 -9.515 2.425 -6.877 121 H PHE 15 H PHE 15 -5.980 4.777 -9.411 122 HA PHE 15 HA PHE 15 -8.009 6.981 -9.421 123 HB2 PHE 15 HB3 PHE 15 -5.105 7.036 -8.570 124 HB3 PHE 15 HB2 PHE 15 -6.145 8.458 -8.675 125 HD1 PHE 15 HD1 PHE 15 -8.132 8.676 -7.192 126 HD2 PHE 15 HD2 PHE 15 -5.322 5.455 -6.767 127 HE1 PHE 15 HE1 PHE 15 -9.029 8.191 -4.931 128 HE2 PHE 15 HE2 PHE 15 -6.219 4.971 -4.507 129 HZ PHE 15 HZ PHE 15 -8.073 6.338 -3.588 130 H LEU 16 H LEU 16 -4.747 6.230 -10.747 131 HA LEU 16 HA LEU 16 -5.551 7.811 -13.158 132 HB2 LEU 16 HB3 LEU 16 -3.057 7.688 -11.559 133 HB3 LEU 16 HB2 LEU 16 -2.872 7.824 -13.306 134 HG LEU 16 HG LEU 16 -4.690 9.630 -11.697 135 HD11 LEU 16 HD11 LEU 16 -2.745 10.480 -10.870 136 HD12 LEU 16 HD12 LEU 16 -2.585 11.196 -12.473 137 HD13 LEU 16 HD13 LEU 16 -1.763 9.682 -12.098 138 HD21 LEU 16 HD21 LEU 16 -4.289 9.171 -14.484 139 HD22 LEU 16 HD22 LEU 16 -3.615 10.757 -14.109 140 HD23 LEU 16 HD23 LEU 16 -5.299 10.401 -13.725 141 HA PRO 17 HA PRO 17 -4.685 3.492 -14.609 142 HB2 PRO 17 HB2 PRO 17 -6.866 3.296 -16.250 143 HB3 PRO 17 HB3 PRO 17 -6.894 2.856 -14.533 144 HG2 PRO 17 HG3 PRO 17 -7.943 5.270 -15.882 145 HG3 PRO 17 HG2 PRO 17 -8.543 4.420 -14.451 146 HD2 PRO 17 HD3 PRO 17 -7.085 6.785 -14.401 147 HD3 PRO 17 HD2 PRO 17 -7.258 5.670 -13.033 148 H ASP 18 H ASP 18 -5.196 6.546 -16.141 149 HA ASP 18 HA ASP 18 -4.335 5.570 -18.786 150 HB2 ASP 18 HB3 ASP 18 -5.091 8.303 -17.749 151 HB3 ASP 18 HB2 ASP 18 -4.586 7.993 -19.405 152 H VAL 19 H VAL 19 -2.732 6.126 -16.021 153 HA VAL 19 HA VAL 19 -0.415 7.450 -17.379 154 HB VAL 19 HB VAL 19 -0.974 7.201 -14.409 155 HG11 VAL 19 HG11 VAL 19 1.372 7.407 -14.725 156 HG12 VAL 19 HG12 VAL 19 0.817 9.048 -14.397 157 HG13 VAL 19 HG13 VAL 19 1.171 8.551 -16.052 158 HG21 VAL 19 HG21 VAL 19 -1.739 9.444 -14.454 159 HG22 VAL 19 HG22 VAL 19 -2.518 8.699 -15.850 160 HG23 VAL 19 HG23 VAL 19 -1.097 9.718 -16.072 161 H ALA 20 H ALA 20 1.524 6.341 -17.461 162 HA ALA 20 HA ALA 20 1.486 3.495 -17.034 163 HB1 ALA 20 HB1 ALA 20 3.733 3.514 -17.834 164 HB2 ALA 20 HB2 ALA 20 3.950 5.205 -17.380 165 HB3 ALA 20 HB3 ALA 20 2.891 4.782 -18.725 166 HA PRO 21 HA PRO 21 2.263 3.805 -12.552 167 HB2 PRO 21 HB2 PRO 21 3.126 0.985 -12.931 168 HB3 PRO 21 HB3 PRO 21 1.954 1.663 -11.786 169 HG2 PRO 21 HG3 PRO 21 1.227 0.263 -13.965 170 HG3 PRO 21 HG2 PRO 21 0.238 1.556 -13.272 171 HD2 PRO 21 HD3 PRO 21 1.819 1.547 -15.779 172 HD3 PRO 21 HD2 PRO 21 0.410 2.533 -15.327 173 H ALA 22 H ALA 22 4.509 2.617 -14.975 174 HA ALA 22 HA ALA 22 6.825 2.393 -13.305 175 HB1 ALA 22 HB1 ALA 22 7.670 1.633 -15.244 176 HB2 ALA 22 HB2 ALA 22 7.587 3.260 -15.921 177 HB3 ALA 22 HB3 ALA 22 6.214 2.164 -16.085 178 H ASP 23 H ASP 23 5.168 5.139 -14.652 179 HA ASP 23 HA ASP 23 7.465 6.932 -14.276 180 HB2 ASP 23 HB3 ASP 23 5.961 8.690 -15.055 181 HB3 ASP 23 HB2 ASP 23 5.834 7.292 -16.120 182 H VAL 24 H VAL 24 5.612 5.446 -12.089 183 HA VAL 24 HA VAL 24 5.258 7.868 -10.367 184 HB VAL 24 HB VAL 24 4.181 5.093 -9.844 185 HG11 VAL 24 HG11 VAL 24 2.815 6.141 -8.232 186 HG12 VAL 24 HG12 VAL 24 3.072 7.742 -8.924 187 HG13 VAL 24 HG13 VAL 24 4.373 6.943 -8.043 188 HG21 VAL 24 HG21 VAL 24 2.929 7.405 -11.363 189 HG22 VAL 24 HG22 VAL 24 2.013 6.029 -10.749 190 HG23 VAL 24 HG23 VAL 24 3.255 5.783 -11.976 191 H ASP 25 H ASP 25 6.623 8.101 -8.639 192 HA ASP 25 HA ASP 25 8.579 5.944 -8.135 193 HB2 ASP 25 HB3 ASP 25 8.320 8.755 -7.020 194 HB3 ASP 25 HB2 ASP 25 9.623 7.637 -6.612 195 H VAL 26 H VAL 26 8.132 4.437 -6.594 196 HA VAL 26 HA VAL 26 5.935 4.831 -4.714 197 HB VAL 26 HB VAL 26 6.402 2.582 -4.001 198 HG11 VAL 26 HG11 VAL 26 7.217 2.183 -6.805 199 HG12 VAL 26 HG12 VAL 26 5.824 3.244 -6.597 200 HG13 VAL 26 HG13 VAL 26 5.785 1.602 -5.956 201 HG21 VAL 26 HG21 VAL 26 8.773 2.641 -3.664 202 HG22 VAL 26 HG22 VAL 26 9.068 3.037 -5.358 203 HG23 VAL 26 HG23 VAL 26 8.491 1.430 -4.914 204 H ASP 27 H ASP 27 8.925 6.110 -4.770 205 HA ASP 27 HA ASP 27 9.626 5.663 -1.943 206 HB2 ASP 27 HB3 ASP 27 10.875 7.343 -4.137 207 HB3 ASP 27 HB2 ASP 27 11.511 7.232 -2.498 208 H LEU 28 H LEU 28 7.635 7.708 -3.748 209 HA LEU 28 HA LEU 28 7.881 9.983 -1.865 210 HB2 LEU 28 HB3 LEU 28 7.661 10.413 -4.310 211 HB3 LEU 28 HB2 LEU 28 6.077 9.646 -4.280 212 HG LEU 28 HG LEU 28 5.379 11.325 -2.535 213 HD11 LEU 28 HD11 LEU 28 6.942 13.454 -2.708 214 HD12 LEU 28 HD12 LEU 28 8.179 12.255 -3.085 215 HD13 LEU 28 HD13 LEU 28 7.309 12.173 -1.554 216 HD21 LEU 28 HD21 LEU 28 5.019 13.116 -4.135 217 HD22 LEU 28 HD22 LEU 28 4.911 11.580 -4.994 218 HD23 LEU 28 HD23 LEU 28 6.371 12.560 -5.122 219 H ASP 29 H ASP 29 6.271 10.479 -0.370 220 HA ASP 29 HA ASP 29 4.640 8.375 0.591 221 HB2 ASP 29 HB3 ASP 29 4.356 11.370 0.986 222 HB3 ASP 29 HB2 ASP 29 3.500 10.151 1.929 223 H LEU 30 H LEU 30 2.477 7.860 0.255 224 HA LEU 30 HA LEU 30 1.334 8.607 -2.296 225 HB2 LEU 30 HB3 LEU 30 1.072 6.357 -1.154 226 HB3 LEU 30 HB2 LEU 30 -0.034 7.140 -0.029 227 HG LEU 30 HG LEU 30 -1.423 7.872 -1.965 228 HD11 LEU 30 HD11 LEU 30 -0.246 7.913 -3.920 229 HD12 LEU 30 HD12 LEU 30 -0.766 6.232 -4.038 230 HD13 LEU 30 HD13 LEU 30 0.837 6.617 -3.410 231 HD21 LEU 30 HD21 LEU 30 -2.607 5.919 -1.888 232 HD22 LEU 30 HD22 LEU 30 -1.380 5.434 -0.721 233 HD23 LEU 30 HD23 LEU 30 -1.233 4.954 -2.411 234 H VAL 31 H VAL 31 0.650 9.448 1.070 235 HA VAL 31 HA VAL 31 -1.792 10.855 0.568 236 HB VAL 31 HB VAL 31 -1.395 11.836 2.789 237 HG11 VAL 31 HG11 VAL 31 -0.514 9.295 3.633 238 HG12 VAL 31 HG12 VAL 31 -1.386 9.026 2.123 239 HG13 VAL 31 HG13 VAL 31 -2.185 9.837 3.469 240 HG21 VAL 31 HG21 VAL 31 1.360 10.830 2.207 241 HG22 VAL 31 HG22 VAL 31 0.809 10.875 3.881 242 HG23 VAL 31 HG23 VAL 31 0.866 12.359 2.930 243 H ASP 32 H ASP 32 1.582 11.958 0.778 244 HA ASP 32 HA ASP 32 1.140 14.733 0.546 245 HB2 ASP 32 HB3 ASP 32 3.371 13.026 -0.600 246 HB3 ASP 32 HB2 ASP 32 3.401 14.789 -0.568 247 H ASN 33 H ASN 33 1.063 12.187 -1.859 248 HA ASN 33 HA ASN 33 0.931 13.909 -4.166 249 HB2 ASN 33 HB3 ASN 33 0.099 11.047 -3.700 250 HB3 ASN 33 HB2 ASN 33 0.052 11.822 -5.275 251 HD21 ASN 33 HD22 ASN 33 1.759 9.582 -4.815 252 HD22 ASN 33 HD21 ASN 33 3.371 10.107 -4.869 253 H GLY 34 H GLY 34 -1.484 12.527 -1.990 254 HA2 GLY 34 HA3 GLY 34 -3.678 13.409 -1.628 255 HA3 GLY 34 HA2 GLY 34 -3.483 14.414 -3.067 256 H VAL 35 H VAL 35 -2.479 11.292 -3.725 257 HA VAL 35 HA VAL 35 -4.572 10.785 -5.598 258 HB VAL 35 HB VAL 35 -2.592 8.899 -4.282 259 HG11 VAL 35 HG11 VAL 35 -3.152 7.515 -6.393 260 HG12 VAL 35 HG12 VAL 35 -4.609 8.503 -6.493 261 HG13 VAL 35 HG13 VAL 35 -4.324 7.493 -5.076 262 HG21 VAL 35 HG21 VAL 35 -2.379 10.908 -6.323 263 HG22 VAL 35 HG22 VAL 35 -2.144 9.325 -7.065 264 HG23 VAL 35 HG23 VAL 35 -1.123 9.828 -5.717 265 H ILE 36 H ILE 36 -4.232 10.117 -2.192 266 HA ILE 36 HA ILE 36 -6.571 8.306 -2.200 267 HB ILE 36 HB ILE 36 -4.892 9.312 0.115 268 HG12 ILE 36 HG13 ILE 36 -4.761 6.637 -1.297 269 HG13 ILE 36 HG12 ILE 36 -3.680 7.975 -1.663 270 HG21 ILE 36 HG21 ILE 36 -7.359 7.957 0.042 271 HG22 ILE 36 HG22 ILE 36 -6.297 8.150 1.437 272 HG23 ILE 36 HG23 ILE 36 -6.151 6.726 0.406 273 HD11 ILE 36 HD11 ILE 36 -3.693 7.703 1.156 274 HD12 ILE 36 HD12 ILE 36 -2.364 7.345 0.052 275 HD13 ILE 36 HD13 ILE 36 -3.513 6.079 0.492 276 H ASP 37 H ASP 37 -8.570 9.094 -1.918 277 HA ASP 37 HA ASP 37 -8.908 11.757 -0.619 278 HB2 ASP 37 HB3 ASP 37 -10.533 10.364 -2.766 279 HB3 ASP 37 HB2 ASP 37 -11.049 11.832 -1.946 280 H ALA 38 H ALA 38 -11.504 11.737 0.058 281 HA ALA 38 HA ALA 38 -11.644 9.982 2.310 282 HB1 ALA 38 HB1 ALA 38 -14.265 10.631 1.866 283 HB2 ALA 38 HB2 ALA 38 -13.445 11.918 0.980 284 HB3 ALA 38 HB3 ALA 38 -13.121 11.684 2.698 285 H LEU 39 H LEU 39 -13.423 9.915 -0.779 286 HA LEU 39 HA LEU 39 -14.516 7.278 -0.305 287 HB2 LEU 39 HB3 LEU 39 -14.204 8.934 -2.816 288 HB3 LEU 39 HB2 LEU 39 -15.009 7.370 -2.786 289 HG LEU 39 HG LEU 39 -16.515 8.298 -0.981 290 HD11 LEU 39 HD11 LEU 39 -14.936 10.757 -1.686 291 HD12 LEU 39 HD12 LEU 39 -15.420 10.165 -0.097 292 HD13 LEU 39 HD13 LEU 39 -16.612 10.911 -1.160 293 HD21 LEU 39 HD21 LEU 39 -17.541 10.024 -2.806 294 HD22 LEU 39 HD22 LEU 39 -17.700 8.272 -2.939 295 HD23 LEU 39 HD23 LEU 39 -16.433 9.112 -3.832 296 H GLY 40 H GLY 40 -11.659 8.641 -1.780 297 HA2 GLY 40 HA3 GLY 40 -10.689 6.361 -3.150 298 HA3 GLY 40 HA2 GLY 40 -9.675 7.649 -2.495 299 H LEU 41 H LEU 41 -10.260 7.411 0.221 300 HA LEU 41 HA LEU 41 -8.556 5.245 0.997 301 HB2 LEU 41 HB3 LEU 41 -8.861 7.346 2.304 302 HB3 LEU 41 HB2 LEU 41 -10.503 6.837 2.693 303 HG LEU 41 HG LEU 41 -8.415 4.821 3.247 304 HD11 LEU 41 HD11 LEU 41 -7.075 6.571 4.051 305 HD12 LEU 41 HD12 LEU 41 -7.995 6.115 5.485 306 HD13 LEU 41 HD13 LEU 41 -8.466 7.533 4.547 307 HD21 LEU 41 HD21 LEU 41 -10.975 4.917 3.827 308 HD22 LEU 41 HD22 LEU 41 -10.449 5.942 5.161 309 HD23 LEU 41 HD23 LEU 41 -9.846 4.291 5.029 310 H LEU 42 H LEU 42 -12.079 5.695 1.069 311 HA LEU 42 HA LEU 42 -12.748 3.265 2.394 312 HB2 LEU 42 HB3 LEU 42 -14.377 5.073 1.954 313 HB3 LEU 42 HB2 LEU 42 -14.269 4.750 0.225 314 HG LEU 42 HG LEU 42 -14.862 2.262 1.125 315 HD11 LEU 42 HD11 LEU 42 -15.026 3.191 3.471 316 HD12 LEU 42 HD12 LEU 42 -16.476 2.363 2.905 317 HD13 LEU 42 HD13 LEU 42 -16.419 4.126 2.929 318 HD21 LEU 42 HD21 LEU 42 -16.125 3.166 -0.632 319 HD22 LEU 42 HD22 LEU 42 -16.598 4.580 0.311 320 HD23 LEU 42 HD23 LEU 42 -17.312 3.007 0.664 321 H LYS 43 H LYS 43 -12.380 3.982 -1.066 322 HA LYS 43 HA LYS 43 -13.001 1.383 -2.018 323 HB2 LYS 43 HB3 LYS 43 -11.199 3.519 -3.164 324 HB3 LYS 43 HB2 LYS 43 -11.679 2.071 -4.038 325 HG2 LYS 43 HG3 LYS 43 -14.069 2.711 -3.709 326 HG3 LYS 43 HG2 LYS 43 -13.530 4.211 -2.956 327 HD2 LYS 43 HD3 LYS 43 -12.272 4.759 -5.048 328 HD3 LYS 43 HD2 LYS 43 -12.960 3.316 -5.795 329 HE2 LYS 43 HE3 LYS 43 -15.155 4.184 -5.733 330 HE3 LYS 43 HE2 LYS 43 -14.730 5.410 -4.539 331 HZ1 LYS 43 HZ1 LYS 43 -13.063 5.851 -6.683 332 HZ2 LYS 43 HZ2 LYS 43 -14.404 6.785 -6.228 333 HZ3 LYS 43 HZ3 LYS 43 -14.585 5.541 -7.371 334 H VAL 44 H VAL 44 -9.974 2.782 -0.841 335 HA VAL 44 HA VAL 44 -8.224 0.704 -1.675 336 HB VAL 44 HB VAL 44 -8.116 2.600 0.673 337 HG11 VAL 44 HG11 VAL 44 -6.104 0.565 -0.320 338 HG12 VAL 44 HG12 VAL 44 -6.759 0.727 1.310 339 HG13 VAL 44 HG13 VAL 44 -5.651 1.945 0.680 340 HG21 VAL 44 HG21 VAL 44 -7.834 3.069 -2.011 341 HG22 VAL 44 HG22 VAL 44 -6.168 2.724 -1.546 342 HG23 VAL 44 HG23 VAL 44 -7.054 4.027 -0.753 343 H ILE 45 H ILE 45 -9.888 1.129 1.455 344 HA ILE 45 HA ILE 45 -8.974 -1.374 2.522 345 HB ILE 45 HB ILE 45 -11.256 0.466 3.258 346 HG12 ILE 45 HG13 ILE 45 -9.644 0.601 5.341 347 HG13 ILE 45 HG12 ILE 45 -8.433 0.014 4.204 348 HG21 ILE 45 HG21 ILE 45 -10.339 -2.124 4.501 349 HG22 ILE 45 HG22 ILE 45 -11.968 -1.670 4.002 350 HG23 ILE 45 HG23 ILE 45 -11.233 -0.907 5.411 351 HD11 ILE 45 HD11 ILE 45 -8.561 2.522 4.356 352 HD12 ILE 45 HD12 ILE 45 -10.190 2.428 3.692 353 HD13 ILE 45 HD13 ILE 45 -8.812 1.892 2.731 354 H ALA 46 H ALA 46 -11.862 -0.467 0.677 355 HA ALA 46 HA ALA 46 -13.321 -2.882 1.181 356 HB1 ALA 46 HB1 ALA 46 -14.604 -2.222 -0.874 357 HB2 ALA 46 HB2 ALA 46 -13.440 -0.917 -1.114 358 HB3 ALA 46 HB3 ALA 46 -14.458 -0.937 0.326 359 H TRP 47 H TRP 47 -11.304 -1.992 -1.668 360 HA TRP 47 HA TRP 47 -11.640 -4.679 -2.773 361 HB2 TRP 47 HB3 TRP 47 -11.057 -3.600 -4.654 362 HB3 TRP 47 HB2 TRP 47 -10.692 -2.149 -3.720 363 HD1 TRP 47 HD1 TRP 47 -8.979 -5.512 -4.605 364 HE1 TRP 47 HE1 TRP 47 -6.443 -5.082 -4.807 365 HE3 TRP 47 HE3 TRP 47 -8.838 -0.571 -3.403 366 HZ2 TRP 47 HZ2 TRP 47 -4.598 -2.913 -4.495 367 HZ3 TRP 47 HZ3 TRP 47 -6.686 0.665 -3.363 368 HH2 TRP 47 HH2 TRP 47 -4.568 -0.501 -3.910 369 H LEU 48 H LEU 48 -8.997 -2.882 -1.214 370 HA LEU 48 HA LEU 48 -7.010 -4.876 -1.472 371 HB2 LEU 48 HB3 LEU 48 -6.642 -2.527 -0.663 372 HB3 LEU 48 HB2 LEU 48 -7.381 -2.984 0.867 373 HG LEU 48 HG LEU 48 -5.639 -4.844 0.988 374 HD11 LEU 48 HD11 LEU 48 -4.241 -5.123 -0.751 375 HD12 LEU 48 HD12 LEU 48 -3.645 -3.479 -0.534 376 HD13 LEU 48 HD13 LEU 48 -5.018 -3.785 -1.595 377 HD21 LEU 48 HD21 LEU 48 -5.249 -1.922 1.316 378 HD22 LEU 48 HD22 LEU 48 -3.786 -2.906 1.383 379 HD23 LEU 48 HD23 LEU 48 -5.111 -3.215 2.507 380 H GLU 49 H GLU 49 -9.483 -4.442 1.067 381 HA GLU 49 HA GLU 49 -8.525 -6.673 2.637 382 HB2 GLU 49 HB3 GLU 49 -10.374 -6.247 4.027 383 HB3 GLU 49 HB2 GLU 49 -9.982 -4.667 3.375 384 HG2 GLU 49 HG3 GLU 49 -11.681 -5.092 1.571 385 HG3 GLU 49 HG2 GLU 49 -12.156 -6.530 2.454 386 H ASP 50 H ASP 50 -10.997 -6.248 0.139 387 HA ASP 50 HA ASP 50 -12.266 -8.769 0.368 388 HB2 ASP 50 HB3 ASP 50 -13.005 -6.838 -1.064 389 HB3 ASP 50 HB2 ASP 50 -11.732 -7.279 -2.200 390 H ARG 51 H ARG 51 -9.325 -7.861 -1.398 391 HA ARG 51 HA ARG 51 -8.976 -10.300 -2.803 392 HB2 ARG 51 HB3 ARG 51 -6.958 -8.294 -1.804 393 HB3 ARG 51 HB2 ARG 51 -6.567 -9.619 -2.897 394 HG2 ARG 51 HG3 ARG 51 -8.284 -8.772 -4.488 395 HG3 ARG 51 HG2 ARG 51 -8.568 -7.404 -3.412 396 HD2 ARG 51 HD3 ARG 51 -7.019 -6.717 -5.158 397 HD3 ARG 51 HD2 ARG 51 -6.148 -6.798 -3.625 398 HE ARG 51 HE ARG 51 -4.870 -8.574 -4.514 399 HH11 ARG 51 HH22 ARG 51 -7.744 -7.998 -6.328 400 HH12 ARG 51 HH21 ARG 51 -7.325 -9.102 -7.595 401 HH21 ARG 51 HH11 ARG 51 -4.306 -10.019 -6.157 402 HH22 ARG 51 HH12 ARG 51 -5.379 -10.247 -7.498 403 H PHE 52 H PHE 52 -7.984 -9.408 0.504 404 HA PHE 52 HA PHE 52 -6.694 -12.055 0.779 405 HB2 PHE 52 HB3 PHE 52 -6.824 -9.624 2.576 406 HB3 PHE 52 HB2 PHE 52 -6.070 -11.144 3.056 407 HD1 PHE 52 HD1 PHE 52 -5.893 -8.287 0.729 408 HD2 PHE 52 HD2 PHE 52 -3.996 -11.905 2.051 409 HE1 PHE 52 HE1 PHE 52 -3.844 -7.668 -0.521 410 HE2 PHE 52 HE2 PHE 52 -1.944 -11.286 0.804 411 HZ PHE 52 HZ PHE 52 -1.868 -9.168 -0.484 412 H GLY 53 H GLY 53 -9.756 -10.725 1.238 413 HA2 GLY 53 HA3 GLY 53 -11.681 -11.724 2.152 414 HA3 GLY 53 HA2 GLY 53 -10.694 -13.132 2.554 415 H ILE 54 H ILE 54 -9.795 -9.906 3.557 416 HA ILE 54 HA ILE 54 -10.303 -10.744 6.374 417 HB ILE 54 HB ILE 54 -8.516 -9.178 6.982 418 HG12 ILE 54 HG13 ILE 54 -8.432 -8.635 3.997 419 HG13 ILE 54 HG12 ILE 54 -8.906 -7.491 5.252 420 HG21 ILE 54 HG21 ILE 54 -6.647 -10.365 5.943 421 HG22 ILE 54 HG22 ILE 54 -7.699 -10.933 4.646 422 HG23 ILE 54 HG23 ILE 54 -7.943 -11.509 6.294 423 HD11 ILE 54 HD11 ILE 54 -6.171 -8.747 4.901 424 HD12 ILE 54 HD12 ILE 54 -6.630 -7.711 6.254 425 HD13 ILE 54 HD13 ILE 54 -6.595 -7.058 4.616 426 H ALA 55 H ALA 55 -11.179 -9.140 7.836 427 HA ALA 55 HA ALA 55 -12.824 -7.101 6.412 428 HB1 ALA 55 HB1 ALA 55 -13.110 -8.374 9.148 429 HB2 ALA 55 HB2 ALA 55 -14.140 -8.641 7.741 430 HB3 ALA 55 HB3 ALA 55 -14.146 -7.077 8.554 431 H ALA 56 H ALA 56 -12.519 -4.945 6.824 432 HA ALA 56 HA ALA 56 -10.145 -4.084 8.209 433 HB1 ALA 56 HB1 ALA 56 -12.287 -2.087 7.797 434 HB2 ALA 56 HB2 ALA 56 -11.782 -2.949 6.343 435 HB3 ALA 56 HB3 ALA 56 -10.598 -2.048 7.290 436 H ASP 57 H ASP 57 -13.496 -4.481 9.158 437 HA ASP 57 HA ASP 57 -13.583 -2.835 11.441 438 HB2 ASP 57 HB3 ASP 57 -14.873 -5.510 10.908 439 HB3 ASP 57 HB2 ASP 57 -15.278 -4.490 12.283 440 H ASP 58 H ASP 58 -12.225 -6.079 11.039 441 HA ASP 58 HA ASP 58 -11.782 -6.711 13.755 442 HB2 ASP 58 HB3 ASP 58 -11.400 -8.240 11.797 443 HB3 ASP 58 HB2 ASP 58 -9.910 -7.357 11.477 444 H VAL 59 H VAL 59 -9.811 -4.763 11.537 445 HA VAL 59 HA VAL 59 -8.278 -3.806 13.919 446 HB VAL 59 HB VAL 59 -7.166 -4.246 11.143 447 HG11 VAL 59 HG11 VAL 59 -6.245 -2.829 13.527 448 HG12 VAL 59 HG12 VAL 59 -5.603 -2.790 11.885 449 HG13 VAL 59 HG13 VAL 59 -5.100 -4.063 12.998 450 HG21 VAL 59 HG21 VAL 59 -7.502 -6.409 12.086 451 HG22 VAL 59 HG22 VAL 59 -7.010 -5.866 13.690 452 HG23 VAL 59 HG23 VAL 59 -5.811 -6.025 12.408 453 H GLU 60 H GLU 60 -8.101 -1.587 14.069 454 HA GLU 60 HA GLU 60 -9.589 -0.001 12.081 455 HB2 GLU 60 HB3 GLU 60 -9.807 0.414 14.545 456 HB3 GLU 60 HB2 GLU 60 -8.126 0.933 14.568 457 HG2 GLU 60 HG3 GLU 60 -8.677 2.664 12.874 458 HG3 GLU 60 HG2 GLU 60 -10.367 2.187 12.979 459 H LEU 61 H LEU 61 -8.628 1.242 10.516 460 HA LEU 61 HA LEU 61 -5.678 1.160 10.349 461 HB2 LEU 61 HB3 LEU 61 -7.717 2.123 8.323 462 HB3 LEU 61 HB2 LEU 61 -6.008 1.838 8.033 463 HG LEU 61 HG LEU 61 -8.053 -0.243 8.808 464 HD11 LEU 61 HD11 LEU 61 -6.434 -0.533 6.360 465 HD12 LEU 61 HD12 LEU 61 -7.561 0.824 6.333 466 HD13 LEU 61 HD13 LEU 61 -8.158 -0.813 6.608 467 HD21 LEU 61 HD21 LEU 61 -5.954 -1.725 8.201 468 HD22 LEU 61 HD22 LEU 61 -6.106 -1.039 9.819 469 HD23 LEU 61 HD23 LEU 61 -5.056 -0.269 8.628 470 H SER 62 H SER 62 -4.426 3.022 10.390 471 HA SER 62 HA SER 62 -5.857 5.544 11.080 472 HB2 SER 62 HB3 SER 62 -4.450 5.517 12.853 473 HB3 SER 62 HB2 SER 62 -3.489 4.217 12.153 474 HG SER 62 HG SER 62 -2.171 5.970 12.190 475 HA PRO 63 HA PRO 63 -4.557 7.532 7.389 476 HB2 PRO 63 HB2 PRO 63 -3.292 9.808 8.498 477 HB3 PRO 63 HB3 PRO 63 -4.993 9.669 8.025 478 HG2 PRO 63 HG3 PRO 63 -3.753 9.477 10.697 479 HG3 PRO 63 HG2 PRO 63 -5.373 10.024 10.233 480 HD2 PRO 63 HD3 PRO 63 -4.941 7.615 11.414 481 HD3 PRO 63 HD2 PRO 63 -6.247 7.873 10.235 482 H GLU 64 H GLU 64 -2.212 6.947 9.912 483 HA GLU 64 HA GLU 64 0.142 7.616 8.391 484 HB2 GLU 64 HB3 GLU 64 -0.247 5.794 10.769 485 HB3 GLU 64 HB2 GLU 64 1.315 6.283 10.137 486 HG2 GLU 64 HG3 GLU 64 0.698 8.650 10.515 487 HG3 GLU 64 HG2 GLU 64 -0.821 8.116 11.225 488 H HIS 65 H HIS 65 -1.935 4.826 8.593 489 HA HIS 65 HA HIS 65 -0.118 2.901 7.501 490 HB2 HIS 65 HB3 HIS 65 -2.008 1.889 8.394 491 HB3 HIS 65 HB2 HIS 65 -3.090 3.127 7.758 492 HD1 HIS 65 HD1 HIS 65 -1.944 -0.252 7.088 493 HD2 HIS 65 HD2 HIS 65 -3.321 2.930 4.770 494 HE1 HIS 65 HE1 HIS 65 -2.640 -1.231 4.854 495 HE2 HIS 65 HE2 HIS 65 -3.470 0.697 3.437 496 H PHE 66 H PHE 66 -1.814 5.549 6.139 497 HA PHE 66 HA PHE 66 -1.462 4.496 3.389 498 HB2 PHE 66 HB3 PHE 66 -2.779 7.090 4.219 499 HB3 PHE 66 HB2 PHE 66 -2.952 6.235 2.689 500 HD1 PHE 66 HD1 PHE 66 -3.514 5.806 6.361 501 HD2 PHE 66 HD2 PHE 66 -4.703 4.698 2.386 502 HE1 PHE 66 HE1 PHE 66 -5.428 4.531 7.291 503 HE2 PHE 66 HE2 PHE 66 -6.614 3.421 3.318 504 HZ PHE 66 HZ PHE 66 -6.973 3.345 5.772 505 H ARG 67 H ARG 67 0.574 5.692 5.397 506 HA ARG 67 HA ARG 67 1.527 8.172 4.521 507 HB2 ARG 67 HB3 ARG 67 3.668 7.479 5.457 508 HB3 ARG 67 HB2 ARG 67 2.355 6.909 6.481 509 HG2 ARG 67 HG3 ARG 67 2.615 4.817 4.742 510 HG3 ARG 67 HG2 ARG 67 4.281 5.373 4.845 511 HD2 ARG 67 HD3 ARG 67 3.539 5.397 7.494 512 HD3 ARG 67 HD2 ARG 67 2.614 4.029 6.872 513 HE ARG 67 HE ARG 67 5.079 3.503 5.863 514 HH11 ARG 67 HH22 ARG 67 3.962 4.528 8.962 515 HH12 ARG 67 HH21 ARG 67 5.243 3.749 9.829 516 HH21 ARG 67 HH11 ARG 67 6.761 2.479 6.984 517 HH22 ARG 67 HH12 ARG 67 6.826 2.591 8.711 518 H SER 68 H SER 68 2.097 4.954 3.061 519 HA SER 68 HA SER 68 2.680 6.203 0.511 520 HB2 SER 68 HB3 SER 68 5.006 5.729 0.311 521 HB3 SER 68 HB2 SER 68 4.824 6.510 1.879 522 HG SER 68 HG SER 68 4.597 4.267 2.689 523 H ILE 69 H ILE 69 3.332 4.537 -1.144 524 HA ILE 69 HA ILE 69 1.648 2.252 -1.057 525 HB ILE 69 HB ILE 69 4.195 2.556 -2.681 526 HG12 ILE 69 HG13 ILE 69 2.965 4.570 -3.050 527 HG13 ILE 69 HG12 ILE 69 2.599 3.523 -4.416 528 HG21 ILE 69 HG21 ILE 69 3.510 0.665 -3.662 529 HG22 ILE 69 HG22 ILE 69 1.973 1.427 -4.065 530 HG23 ILE 69 HG23 ILE 69 2.161 0.579 -2.531 531 HD11 ILE 69 HD11 ILE 69 0.871 4.172 -2.035 532 HD12 ILE 69 HD12 ILE 69 0.575 2.738 -3.018 533 HD13 ILE 69 HD13 ILE 69 0.491 4.340 -3.750 534 H ARG 70 H ARG 70 5.009 2.780 -0.193 535 HA ARG 70 HA ARG 70 5.892 0.114 0.117 536 HB2 ARG 70 HB3 ARG 70 6.594 2.521 1.828 537 HB3 ARG 70 HB2 ARG 70 7.567 1.064 1.637 538 HG2 ARG 70 HG3 ARG 70 8.196 1.601 -0.536 539 HG3 ARG 70 HG2 ARG 70 6.770 2.601 -0.813 540 HD2 ARG 70 HD3 ARG 70 8.696 4.059 -0.588 541 HD3 ARG 70 HD2 ARG 70 7.678 4.262 0.836 542 HE ARG 70 HE ARG 70 9.496 2.286 1.565 543 HH11 ARG 70 HH22 ARG 70 9.623 5.490 0.298 544 HH12 ARG 70 HH21 ARG 70 11.128 5.876 1.064 545 HH21 ARG 70 HH11 ARG 70 11.460 2.770 2.572 546 HH22 ARG 70 HH12 ARG 70 12.168 4.335 2.351 547 H SER 71 H SER 71 4.246 2.259 2.430 548 HA SER 71 HA SER 71 4.246 0.379 4.605 549 HB2 SER 71 HB3 SER 71 3.825 2.876 4.763 550 HB3 SER 71 HB2 SER 71 2.216 2.572 4.117 551 HG SER 71 HG SER 71 2.803 0.857 6.117 552 H ILE 72 H ILE 72 1.917 1.073 2.011 553 HA ILE 72 HA ILE 72 -0.207 -0.535 2.957 554 HB ILE 72 HB ILE 72 0.626 0.014 0.095 555 HG12 ILE 72 HG13 ILE 72 -1.327 1.485 1.896 556 HG13 ILE 72 HG12 ILE 72 0.301 2.048 1.517 557 HG21 ILE 72 HG21 ILE 72 -1.784 -0.365 -0.365 558 HG22 ILE 72 HG22 ILE 72 -2.012 -0.824 1.322 559 HG23 ILE 72 HG23 ILE 72 -0.994 -1.806 0.270 560 HD11 ILE 72 HD11 ILE 72 -0.918 1.397 -0.956 561 HD12 ILE 72 HD12 ILE 72 -0.502 3.002 -0.354 562 HD13 ILE 72 HD13 ILE 72 -2.103 2.331 -0.042 563 H ASP 73 H ASP 73 2.440 -1.400 0.698 564 HA ASP 73 HA ASP 73 1.668 -4.118 0.360 565 HB2 ASP 73 HB3 ASP 73 3.471 -2.805 -0.914 566 HB3 ASP 73 HB2 ASP 73 4.536 -3.164 0.442 567 H ALA 74 H ALA 74 3.784 -2.572 2.754 568 HA ALA 74 HA ALA 74 4.521 -4.995 4.100 569 HB1 ALA 74 HB1 ALA 74 5.714 -3.609 5.463 570 HB2 ALA 74 HB2 ALA 74 4.341 -2.530 5.720 571 HB3 ALA 74 HB3 ALA 74 5.311 -2.390 4.254 572 H PHE 75 H PHE 75 1.917 -2.639 4.644 573 HA PHE 75 HA PHE 75 0.905 -3.843 7.034 574 HB2 PHE 75 HB3 PHE 75 0.280 -1.567 6.196 575 HB3 PHE 75 HB2 PHE 75 -0.666 -2.348 4.931 576 HD1 PHE 75 HD2 PHE 75 -0.392 -1.732 8.556 577 HD2 PHE 75 HD1 PHE 75 -2.736 -3.529 5.437 578 HE1 PHE 75 HE2 PHE 75 -2.286 -2.003 10.135 579 HE2 PHE 75 HE1 PHE 75 -4.630 -3.799 7.016 580 HZ PHE 75 HZ PHE 75 -4.404 -3.036 9.365 581 H VAL 76 H VAL 76 0.007 -4.286 3.607 582 HA VAL 76 HA VAL 76 -2.060 -6.190 4.044 583 HB VAL 76 HB VAL 76 -0.160 -5.735 1.728 584 HG11 VAL 76 HG11 VAL 76 -0.878 -8.019 1.562 585 HG12 VAL 76 HG12 VAL 76 -1.862 -7.083 0.440 586 HG13 VAL 76 HG13 VAL 76 -2.533 -7.589 1.989 587 HG21 VAL 76 HG21 VAL 76 -3.075 -5.243 1.533 588 HG22 VAL 76 HG22 VAL 76 -1.728 -4.269 0.944 589 HG23 VAL 76 HG23 VAL 76 -2.205 -4.180 2.639 590 H VAL 77 H VAL 77 1.434 -6.637 3.404 591 HA VAL 77 HA VAL 77 1.332 -9.508 3.623 592 HB VAL 77 HB VAL 77 3.580 -7.490 3.852 593 HG11 VAL 77 HG11 VAL 77 3.611 -10.511 3.954 594 HG12 VAL 77 HG12 VAL 77 4.284 -9.383 5.130 595 HG13 VAL 77 HG13 VAL 77 5.035 -9.555 3.543 596 HG21 VAL 77 HG21 VAL 77 2.170 -8.328 1.659 597 HG22 VAL 77 HG22 VAL 77 3.486 -9.503 1.689 598 HG23 VAL 77 HG23 VAL 77 3.846 -7.779 1.605 599 H GLY 78 H GLY 78 2.124 -6.881 5.865 600 HA2 GLY 78 HA3 GLY 78 2.850 -8.533 8.081 601 HA3 GLY 78 HA2 GLY 78 2.339 -6.851 8.192 602 H ALA 79 H ALA 79 -0.253 -7.479 6.837 603 HA ALA 79 HA ALA 79 -1.789 -7.981 9.208 604 HB1 ALA 79 HB1 ALA 79 -2.943 -6.714 7.627 605 HB2 ALA 79 HB2 ALA 79 -3.669 -8.305 7.401 606 HB3 ALA 79 HB3 ALA 79 -2.427 -7.737 6.285 607 H THR 80 H THR 80 -0.863 -10.060 6.481 608 HA THR 80 HA THR 80 -2.415 -12.305 7.542 609 HB THR 80 HB THR 80 -1.514 -13.555 5.658 610 HG1 THR 80 HG1 THR 80 0.393 -13.062 4.986 611 HG21 THR 80 HG21 THR 80 -2.929 -12.476 4.283 612 HG22 THR 80 HG22 THR 80 -1.817 -11.116 4.136 613 HG23 THR 80 HG23 THR 80 -2.987 -11.160 5.455 614 H THR 81 H THR 81 0.900 -11.168 7.615 615 HA THR 81 HA THR 81 1.511 -13.368 9.514 616 HB THR 81 HB THR 81 3.927 -12.919 8.372 617 HG1 THR 81 HG1 THR 81 3.728 -12.236 6.399 618 HG21 THR 81 HG21 THR 81 2.848 -15.107 8.732 619 HG22 THR 81 HG22 THR 81 3.527 -14.996 7.109 620 HG23 THR 81 HG23 THR 81 1.791 -14.806 7.352 621 HA PRO 82 HA PRO 82 3.017 -10.008 12.010 622 HB2 PRO 82 HB2 PRO 82 4.757 -11.302 13.644 623 HB3 PRO 82 HB3 PRO 82 2.999 -11.520 13.760 624 HG2 PRO 82 HG3 PRO 82 5.044 -13.273 12.486 625 HG3 PRO 82 HG2 PRO 82 3.625 -13.711 13.454 626 HD2 PRO 82 HD3 PRO 82 3.677 -13.835 10.705 627 HD3 PRO 82 HD2 PRO 82 2.192 -13.590 11.654 628 HA PRO 83 HA PRO 83 6.884 -9.235 9.687 629 HB2 PRO 83 HB2 PRO 83 6.809 -6.513 9.826 630 HB3 PRO 83 HB3 PRO 83 5.910 -7.463 8.633 631 HG2 PRO 83 HG3 PRO 83 4.958 -6.101 11.074 632 HG3 PRO 83 HG2 PRO 83 4.112 -6.420 9.554 633 HD2 PRO 83 HD3 PRO 83 3.786 -7.866 11.933 634 HD3 PRO 83 HD2 PRO 83 3.275 -8.401 10.321 635 H VAL 84 H VAL 84 8.978 -8.657 10.302 636 HA VAL 84 HA VAL 84 9.311 -8.003 13.198 637 HB VAL 84 HB VAL 84 11.340 -9.147 11.253 638 HG11 VAL 84 HG11 VAL 84 12.845 -8.885 12.910 639 HG12 VAL 84 HG12 VAL 84 11.767 -9.658 14.072 640 HG13 VAL 84 HG13 VAL 84 11.643 -7.925 13.773 641 HG21 VAL 84 HG21 VAL 84 10.928 -11.283 12.434 642 HG22 VAL 84 HG22 VAL 84 9.463 -10.703 11.642 643 HG23 VAL 84 HG23 VAL 84 9.660 -10.510 13.384 644 H GLU 85 H GLU 85 9.908 -5.942 13.641 645 HA GLU 85 HA GLU 85 10.438 -3.677 13.117 646 HB2 GLU 85 HB3 GLU 85 12.947 -5.223 12.400 647 HB3 GLU 85 HB2 GLU 85 12.885 -3.491 12.732 648 HG2 GLU 85 HG3 GLU 85 11.975 -3.981 14.994 649 HG3 GLU 85 HG2 GLU 85 12.132 -5.706 14.661 650 H ALA 86 H ALA 86 9.163 -5.066 10.829 651 HA ALA 86 HA ALA 86 10.619 -4.441 8.419 652 HB1 ALA 86 HB1 ALA 86 7.616 -4.690 8.710 653 HB2 ALA 86 HB2 ALA 86 8.699 -6.079 8.615 654 HB3 ALA 86 HB3 ALA 86 8.578 -4.961 7.257 655 H LYS 87 H LYS 87 10.593 -2.599 7.169 656 HA LYS 87 HA LYS 87 10.494 -0.259 6.867 657 HB2 LYS 87 HB3 LYS 87 8.315 -1.236 5.951 658 HB3 LYS 87 HB2 LYS 87 7.559 -0.697 7.451 659 HG2 LYS 87 HG3 LYS 87 8.303 1.616 6.994 660 HG3 LYS 87 HG2 LYS 87 9.042 1.075 5.487 661 HD2 LYS 87 HD3 LYS 87 6.760 0.219 4.793 662 HD3 LYS 87 HD2 LYS 87 6.099 1.047 6.204 663 HE2 LYS 87 HE3 LYS 87 5.990 2.394 4.071 664 HE3 LYS 87 HE2 LYS 87 6.856 3.192 5.384 665 HZ1 LYS 87 HZ1 LYS 87 8.319 1.513 3.460 666 HZ2 LYS 87 HZ2 LYS 87 8.887 2.801 4.405 667 HZ3 LYS 87 HZ3 LYS 87 7.909 3.110 3.050 668 H LEU 88 H LEU 88 11.433 -0.601 9.362 669 HA LEU 88 HA LEU 88 11.462 0.272 11.553 670 HB2 LEU 88 HB3 LEU 88 10.347 2.531 9.877 671 HB3 LEU 88 HB2 LEU 88 10.743 2.728 11.584 672 HG LEU 88 HG LEU 88 13.060 1.812 11.012 673 HD11 LEU 88 HD11 LEU 88 13.638 2.286 8.542 674 HD12 LEU 88 HD12 LEU 88 11.900 2.212 8.250 675 HD13 LEU 88 HD13 LEU 88 12.748 0.804 8.890 676 HD21 LEU 88 HD21 LEU 88 12.286 4.400 9.634 677 HD22 LEU 88 HD22 LEU 88 13.860 3.986 10.316 678 HD23 LEU 88 HD23 LEU 88 12.478 4.242 11.380 679 H GLN 89 H GLN 89 9.866 -1.192 12.442 680 HA GLN 89 HA GLN 89 7.313 0.196 13.092 681 HB2 GLN 89 HB3 GLN 89 6.928 -1.433 11.218 682 HB3 GLN 89 HB2 GLN 89 7.479 -2.722 12.287 683 HG2 GLN 89 HG3 GLN 89 5.094 -2.707 12.458 684 HG3 GLN 89 HG2 GLN 89 5.689 -1.941 13.932 685 HE21 GLN 89 HE22 GLN 89 4.671 0.004 14.416 686 HE22 GLN 89 HE21 GLN 89 3.939 1.033 13.281 Start of MODEL 16 1 H1 SER -1 H1 SER -1 15.078 -4.533 -0.653 2 H2 SER -1 H2 SER -1 15.510 -4.761 -2.281 3 H3 SER -1 H3 SER -1 14.164 -5.572 -1.634 4 HA SER -1 HA SER -1 13.741 -2.867 -1.177 5 HB2 SER -1 HB3 SER -1 13.951 -3.105 -4.104 6 HB3 SER -1 HB2 SER -1 14.358 -1.751 -3.056 7 HG SER -1 HG SER -1 16.337 -2.362 -3.426 8 H GLU 0 H GLU 0 13.228 -5.318 -3.742 9 HA GLU 0 HA GLU 0 10.480 -4.761 -4.165 10 HB2 GLU 0 HB3 GLU 0 11.941 -7.411 -4.395 11 HB3 GLU 0 HB2 GLU 0 10.357 -7.063 -5.086 12 HG2 GLU 0 HG3 GLU 0 11.366 -5.216 -6.410 13 HG3 GLU 0 HG2 GLU 0 12.951 -5.647 -5.766 14 H MET 1 H MET 1 8.588 -5.601 -3.210 15 HA MET 1 HA MET 1 8.995 -6.838 -0.526 16 HB2 MET 1 HB3 MET 1 6.549 -5.448 -1.680 17 HB3 MET 1 HB2 MET 1 6.757 -5.986 -0.011 18 HG2 MET 1 HG3 MET 1 8.769 -4.466 0.136 19 HG3 MET 1 HG2 MET 1 8.322 -3.830 -1.446 20 HE1 MET 1 HE1 MET 1 5.888 -4.818 1.754 21 HE2 MET 1 HE2 MET 1 6.339 -3.331 2.597 22 HE3 MET 1 HE3 MET 1 7.583 -4.467 2.082 23 H GLN 2 H GLN 2 5.852 -7.124 -1.361 24 HA GLN 2 HA GLN 2 6.220 -9.857 -2.528 25 HB2 GLN 2 HB3 GLN 2 4.029 -8.916 -0.647 26 HB3 GLN 2 HB2 GLN 2 4.210 -10.545 -1.298 27 HG2 GLN 2 HG3 GLN 2 6.222 -9.129 0.473 28 HG3 GLN 2 HG2 GLN 2 5.117 -10.401 0.996 29 HE21 GLN 2 HE22 GLN 2 8.268 -10.092 0.374 30 HE22 GLN 2 HE21 GLN 2 8.603 -11.572 -0.386 31 H HIS 3 H HIS 3 5.545 -9.737 -4.638 32 HA HIS 3 HA HIS 3 4.355 -8.954 -6.520 33 HB2 HIS 3 HB3 HIS 3 2.077 -8.989 -4.511 34 HB3 HIS 3 HB2 HIS 3 1.926 -9.071 -6.266 35 HD1 HIS 3 HD1 HIS 3 2.883 -11.114 -3.273 36 HD2 HIS 3 HD2 HIS 3 2.643 -11.593 -7.410 37 HE1 HIS 3 HE1 HIS 3 3.111 -13.598 -3.723 38 HE2 HIS 3 HE2 HIS 3 2.967 -13.900 -6.237 39 H ALA 4 H ALA 4 5.606 -6.965 -4.740 40 HA ALA 4 HA ALA 4 3.958 -4.736 -4.192 41 HB1 ALA 4 HB1 ALA 4 6.661 -5.302 -4.003 42 HB2 ALA 4 HB2 ALA 4 5.911 -3.755 -3.610 43 HB3 ALA 4 HB3 ALA 4 6.611 -4.014 -5.208 44 H SER 5 H SER 5 5.609 -5.672 -7.202 45 HA SER 5 HA SER 5 5.002 -3.294 -8.667 46 HB2 SER 5 HB3 SER 5 5.510 -4.591 -10.649 47 HB3 SER 5 HB2 SER 5 6.628 -5.078 -9.379 48 HG SER 5 HG SER 5 4.217 -6.391 -10.119 49 H VAL 6 H VAL 6 3.142 -6.219 -8.016 50 HA VAL 6 HA VAL 6 1.055 -5.724 -9.921 51 HB VAL 6 HB VAL 6 1.046 -7.238 -7.307 52 HG11 VAL 6 HG11 VAL 6 -1.045 -6.930 -9.463 53 HG12 VAL 6 HG12 VAL 6 -1.234 -6.717 -7.723 54 HG13 VAL 6 HG13 VAL 6 -1.012 -8.332 -8.395 55 HG21 VAL 6 HG21 VAL 6 2.513 -8.294 -8.868 56 HG22 VAL 6 HG22 VAL 6 1.408 -8.000 -10.211 57 HG23 VAL 6 HG23 VAL 6 0.995 -9.186 -8.974 58 H ILE 7 H ILE 7 1.423 -4.855 -6.497 59 HA ILE 7 HA ILE 7 -1.110 -3.639 -6.133 60 HB ILE 7 HB ILE 7 1.540 -2.867 -4.881 61 HG12 ILE 7 HG13 ILE 7 -0.595 -4.769 -3.866 62 HG13 ILE 7 HG12 ILE 7 0.883 -5.295 -4.674 63 HG21 ILE 7 HG21 ILE 7 -0.132 -1.163 -4.477 64 HG22 ILE 7 HG22 ILE 7 0.036 -2.118 -3.003 65 HG23 ILE 7 HG23 ILE 7 -1.341 -2.382 -4.073 66 HD11 ILE 7 HD11 ILE 7 2.127 -4.967 -2.817 67 HD12 ILE 7 HD12 ILE 7 0.600 -4.820 -1.945 68 HD13 ILE 7 HD13 ILE 7 1.421 -3.376 -2.539 69 H ALA 8 H ALA 8 1.991 -2.197 -7.149 70 HA ALA 8 HA ALA 8 1.007 0.464 -7.427 71 HB1 ALA 8 HB1 ALA 8 3.082 0.961 -8.303 72 HB2 ALA 8 HB2 ALA 8 3.153 -0.524 -9.253 73 HB3 ALA 8 HB3 ALA 8 3.455 -0.573 -7.515 74 H GLN 9 H GLN 9 1.297 -2.148 -9.869 75 HA GLN 9 HA GLN 9 0.306 -0.512 -12.019 76 HB2 GLN 9 HB3 GLN 9 0.347 -3.522 -11.690 77 HB3 GLN 9 HB2 GLN 9 -0.028 -2.685 -13.196 78 HG2 GLN 9 HG3 GLN 9 2.199 -1.572 -13.095 79 HG3 GLN 9 HG2 GLN 9 2.576 -2.513 -11.652 80 HE21 GLN 9 HE22 GLN 9 3.187 -4.719 -11.931 81 HE22 GLN 9 HE21 GLN 9 3.326 -5.458 -13.453 82 H PHE 10 H PHE 10 -1.322 -2.921 -9.944 83 HA PHE 10 HA PHE 10 -3.885 -2.529 -11.206 84 HB2 PHE 10 HB3 PHE 10 -4.186 -4.452 -10.085 85 HB3 PHE 10 HB2 PHE 10 -2.798 -4.135 -9.049 86 HD1 PHE 10 HD1 PHE 10 -6.264 -2.747 -9.553 87 HD2 PHE 10 HD2 PHE 10 -3.229 -4.001 -6.793 88 HE1 PHE 10 HE1 PHE 10 -7.777 -2.235 -7.653 89 HE2 PHE 10 HE2 PHE 10 -4.726 -3.488 -4.897 90 HZ PHE 10 HZ PHE 10 -7.009 -2.604 -5.323 91 H VAL 11 H VAL 11 -2.538 -1.320 -8.124 92 HA VAL 11 HA VAL 11 -4.826 0.192 -7.372 93 HB VAL 11 HB VAL 11 -2.686 -0.324 -6.010 94 HG11 VAL 11 HG11 VAL 11 -1.277 0.845 -7.842 95 HG12 VAL 11 HG12 VAL 11 -0.876 1.184 -6.160 96 HG13 VAL 11 HG13 VAL 11 -1.811 2.350 -7.096 97 HG21 VAL 11 HG21 VAL 11 -4.189 2.291 -6.032 98 HG22 VAL 11 HG22 VAL 11 -2.942 1.981 -4.825 99 HG23 VAL 11 HG23 VAL 11 -4.357 0.933 -4.919 100 H VAL 12 H VAL 12 -2.068 1.031 -9.450 101 HA VAL 12 HA VAL 12 -2.722 3.793 -9.771 102 HB VAL 12 HB VAL 12 -1.251 1.849 -11.546 103 HG11 VAL 12 HG11 VAL 12 -0.430 3.982 -12.680 104 HG12 VAL 12 HG12 VAL 12 -1.765 4.812 -11.880 105 HG13 VAL 12 HG13 VAL 12 -2.096 3.522 -13.038 106 HG21 VAL 12 HG21 VAL 12 0.675 2.665 -10.541 107 HG22 VAL 12 HG22 VAL 12 -0.455 2.818 -9.197 108 HG23 VAL 12 HG23 VAL 12 -0.056 4.228 -10.178 109 H GLU 13 H GLU 13 -3.693 0.917 -11.655 110 HA GLU 13 HA GLU 13 -5.156 2.346 -13.641 111 HB2 GLU 13 HB3 GLU 13 -5.453 -0.455 -12.569 112 HB3 GLU 13 HB2 GLU 13 -6.360 0.154 -13.945 113 HG2 GLU 13 HG3 GLU 13 -4.240 0.690 -15.098 114 HG3 GLU 13 HG2 GLU 13 -3.351 0.022 -13.735 115 H GLU 14 H GLU 14 -6.042 1.215 -10.428 116 HA GLU 14 HA GLU 14 -8.862 1.653 -10.682 117 HB2 GLU 14 HB3 GLU 14 -7.776 0.345 -8.842 118 HB3 GLU 14 HB2 GLU 14 -7.182 1.863 -8.168 119 HG2 GLU 14 HG3 GLU 14 -9.533 2.678 -8.015 120 HG3 GLU 14 HG2 GLU 14 -10.087 1.104 -8.586 121 H PHE 15 H PHE 15 -6.179 3.818 -9.921 122 HA PHE 15 HA PHE 15 -8.158 6.038 -9.601 123 HB2 PHE 15 HB3 PHE 15 -6.695 5.611 -7.640 124 HB3 PHE 15 HB2 PHE 15 -5.286 5.928 -8.652 125 HD1 PHE 15 HD1 PHE 15 -8.407 7.440 -7.299 126 HD2 PHE 15 HD2 PHE 15 -4.608 8.148 -9.171 127 HE1 PHE 15 HE1 PHE 15 -8.668 9.875 -6.906 128 HE2 PHE 15 HE2 PHE 15 -4.868 10.583 -8.780 129 HZ PHE 15 HZ PHE 15 -6.899 11.447 -7.647 130 H LEU 16 H LEU 16 -4.755 5.697 -10.727 131 HA LEU 16 HA LEU 16 -5.431 7.700 -12.844 132 HB2 LEU 16 HB3 LEU 16 -3.091 7.317 -11.070 133 HB3 LEU 16 HB2 LEU 16 -2.737 7.783 -12.734 134 HG LEU 16 HG LEU 16 -4.862 9.225 -11.165 135 HD11 LEU 16 HD11 LEU 16 -3.217 10.819 -10.379 136 HD12 LEU 16 HD12 LEU 16 -1.927 9.983 -11.241 137 HD13 LEU 16 HD13 LEU 16 -2.703 9.214 -9.858 138 HD21 LEU 16 HD21 LEU 16 -4.040 9.351 -13.784 139 HD22 LEU 16 HD22 LEU 16 -3.074 10.629 -13.046 140 HD23 LEU 16 HD23 LEU 16 -4.833 10.670 -12.924 141 HA PRO 17 HA PRO 17 -4.272 3.808 -15.085 142 HB2 PRO 17 HB2 PRO 17 -6.292 3.928 -16.930 143 HB3 PRO 17 HB3 PRO 17 -6.451 3.127 -15.356 144 HG2 PRO 17 HG3 PRO 17 -7.474 5.754 -16.250 145 HG3 PRO 17 HG2 PRO 17 -8.160 4.603 -15.097 146 HD2 PRO 17 HD3 PRO 17 -6.810 6.929 -14.404 147 HD3 PRO 17 HD2 PRO 17 -7.053 5.540 -13.329 148 H ASP 18 H ASP 18 -4.702 7.111 -15.941 149 HA ASP 18 HA ASP 18 -3.709 6.794 -18.681 150 HB2 ASP 18 HB3 ASP 18 -4.288 9.217 -16.974 151 HB3 ASP 18 HB2 ASP 18 -3.734 9.304 -18.641 152 H VAL 19 H VAL 19 -2.267 6.584 -15.734 153 HA VAL 19 HA VAL 19 0.272 7.840 -16.708 154 HB VAL 19 HB VAL 19 -0.542 7.228 -13.850 155 HG11 VAL 19 HG11 VAL 19 1.424 8.628 -13.305 156 HG12 VAL 19 HG12 VAL 19 1.782 8.786 -15.025 157 HG13 VAL 19 HG13 VAL 19 1.889 7.209 -14.243 158 HG21 VAL 19 HG21 VAL 19 -1.925 9.021 -14.817 159 HG22 VAL 19 HG22 VAL 19 -0.474 9.851 -15.379 160 HG23 VAL 19 HG23 VAL 19 -0.784 9.690 -13.650 161 H ALA 20 H ALA 20 2.029 6.506 -16.936 162 HA ALA 20 HA ALA 20 1.655 3.649 -16.825 163 HB1 ALA 20 HB1 ALA 20 4.429 4.631 -16.866 164 HB2 ALA 20 HB2 ALA 20 3.396 5.323 -18.118 165 HB3 ALA 20 HB3 ALA 20 3.592 3.575 -18.004 166 HA PRO 21 HA PRO 21 2.413 3.395 -12.339 167 HB2 PRO 21 HB2 PRO 21 3.010 0.562 -13.029 168 HB3 PRO 21 HB3 PRO 21 1.909 1.215 -11.803 169 HG2 PRO 21 HG3 PRO 21 1.040 0.142 -14.104 170 HG3 PRO 21 HG2 PRO 21 0.193 1.459 -13.279 171 HD2 PRO 21 HD3 PRO 21 1.788 1.537 -15.781 172 HD3 PRO 21 HD2 PRO 21 0.477 2.607 -15.235 173 H ALA 22 H ALA 22 4.553 2.130 -14.845 174 HA ALA 22 HA ALA 22 6.830 1.639 -13.171 175 HB1 ALA 22 HB1 ALA 22 6.769 2.452 -16.095 176 HB2 ALA 22 HB2 ALA 22 6.626 0.797 -15.503 177 HB3 ALA 22 HB3 ALA 22 8.124 1.696 -15.256 178 H ASP 23 H ASP 23 5.432 4.539 -14.494 179 HA ASP 23 HA ASP 23 7.832 6.160 -14.070 180 HB2 ASP 23 HB3 ASP 23 6.141 6.682 -15.841 181 HB3 ASP 23 HB2 ASP 23 4.980 7.057 -14.567 182 H VAL 24 H VAL 24 5.839 4.726 -11.924 183 HA VAL 24 HA VAL 24 5.774 7.075 -10.071 184 HB VAL 24 HB VAL 24 4.394 4.416 -9.676 185 HG11 VAL 24 HG11 VAL 24 4.806 6.539 -7.975 186 HG12 VAL 24 HG12 VAL 24 3.493 5.372 -7.829 187 HG13 VAL 24 HG13 VAL 24 3.219 6.910 -8.648 188 HG21 VAL 24 HG21 VAL 24 3.611 5.374 -11.804 189 HG22 VAL 24 HG22 VAL 24 3.331 6.928 -11.017 190 HG23 VAL 24 HG23 VAL 24 2.355 5.528 -10.575 191 H ASP 25 H ASP 25 7.185 7.067 -8.375 192 HA ASP 25 HA ASP 25 8.864 4.666 -7.981 193 HB2 ASP 25 HB3 ASP 25 8.968 7.444 -6.764 194 HB3 ASP 25 HB2 ASP 25 10.124 6.159 -6.409 195 H VAL 26 H VAL 26 8.255 3.170 -6.482 196 HA VAL 26 HA VAL 26 6.089 3.661 -4.632 197 HB VAL 26 HB VAL 26 6.614 1.419 -3.776 198 HG11 VAL 26 HG11 VAL 26 5.946 2.083 -6.438 199 HG12 VAL 26 HG12 VAL 26 5.600 0.573 -5.596 200 HG13 VAL 26 HG13 VAL 26 7.080 0.736 -6.540 201 HG21 VAL 26 HG21 VAL 26 9.213 2.066 -5.000 202 HG22 VAL 26 HG22 VAL 26 8.640 0.436 -5.355 203 HG23 VAL 26 HG23 VAL 26 8.837 0.955 -3.682 204 H ASP 27 H ASP 27 9.111 4.883 -4.590 205 HA ASP 27 HA ASP 27 9.591 4.516 -1.692 206 HB2 ASP 27 HB3 ASP 27 11.171 5.896 -3.880 207 HB3 ASP 27 HB2 ASP 27 11.661 5.859 -2.189 208 H LEU 28 H LEU 28 7.828 6.522 -3.682 209 HA LEU 28 HA LEU 28 8.235 8.944 -2.019 210 HB2 LEU 28 HB3 LEU 28 8.065 9.160 -4.501 211 HB3 LEU 28 HB2 LEU 28 6.426 8.524 -4.418 212 HG LEU 28 HG LEU 28 5.854 10.401 -2.839 213 HD11 LEU 28 HD11 LEU 28 7.830 11.193 -1.913 214 HD12 LEU 28 HD12 LEU 28 7.584 12.379 -3.194 215 HD13 LEU 28 HD13 LEU 28 8.721 11.053 -3.429 216 HD21 LEU 28 HD21 LEU 28 6.179 10.427 -5.656 217 HD22 LEU 28 HD22 LEU 28 6.724 12.001 -5.075 218 HD23 LEU 28 HD23 LEU 28 5.099 11.434 -4.693 219 H ASP 29 H ASP 29 6.684 9.627 -0.544 220 HA ASP 29 HA ASP 29 4.885 7.731 0.525 221 HB2 ASP 29 HB3 ASP 29 4.826 10.760 0.692 222 HB3 ASP 29 HB2 ASP 29 3.824 9.697 1.679 223 H LEU 30 H LEU 30 2.812 7.195 0.048 224 HA LEU 30 HA LEU 30 1.714 7.814 -2.510 225 HB2 LEU 30 HB3 LEU 30 1.242 5.737 -1.180 226 HB3 LEU 30 HB2 LEU 30 0.257 6.712 -0.094 227 HG LEU 30 HG LEU 30 -1.161 7.386 -2.022 228 HD11 LEU 30 HD11 LEU 30 0.893 5.765 -3.457 229 HD12 LEU 30 HD12 LEU 30 0.059 7.228 -3.975 230 HD13 LEU 30 HD13 LEU 30 -0.769 5.673 -4.036 231 HD21 LEU 30 HD21 LEU 30 -1.233 5.052 -0.607 232 HD22 LEU 30 HD22 LEU 30 -1.162 4.433 -2.256 233 HD23 LEU 30 HD23 LEU 30 -2.465 5.521 -1.778 234 H VAL 31 H VAL 31 1.053 9.118 0.720 235 HA VAL 31 HA VAL 31 -1.257 10.631 -0.047 236 HB VAL 31 HB VAL 31 0.722 11.048 2.201 237 HG11 VAL 31 HG11 VAL 31 -0.242 13.103 2.322 238 HG12 VAL 31 HG12 VAL 31 -1.657 12.240 2.924 239 HG13 VAL 31 HG13 VAL 31 -1.538 12.654 1.213 240 HG21 VAL 31 HG21 VAL 31 -1.373 9.175 1.719 241 HG22 VAL 31 HG22 VAL 31 -1.939 10.287 2.967 242 HG23 VAL 31 HG23 VAL 31 -0.437 9.391 3.198 243 H ASP 32 H ASP 32 2.204 11.424 -0.078 244 HA ASP 32 HA ASP 32 2.018 14.196 -0.546 245 HB2 ASP 32 HB3 ASP 32 3.952 12.160 -1.695 246 HB3 ASP 32 HB2 ASP 32 4.150 13.904 -1.880 247 H ASN 33 H ASN 33 1.443 11.477 -2.679 248 HA ASN 33 HA ASN 33 1.244 13.000 -5.120 249 HB2 ASN 33 HB3 ASN 33 0.192 10.299 -4.288 250 HB3 ASN 33 HB2 ASN 33 0.021 10.936 -5.917 251 HD21 ASN 33 HD22 ASN 33 1.557 8.568 -5.402 252 HD22 ASN 33 HD21 ASN 33 3.190 8.911 -5.712 253 H GLY 34 H GLY 34 -1.043 12.064 -2.598 254 HA2 GLY 34 HA3 GLY 34 -3.102 13.172 -2.105 255 HA3 GLY 34 HA2 GLY 34 -2.962 14.053 -3.629 256 H VAL 35 H VAL 35 -2.285 10.848 -4.188 257 HA VAL 35 HA VAL 35 -4.599 10.397 -5.790 258 HB VAL 35 HB VAL 35 -2.623 8.444 -4.573 259 HG11 VAL 35 HG11 VAL 35 -5.071 8.059 -6.190 260 HG12 VAL 35 HG12 VAL 35 -4.225 6.923 -5.139 261 HG13 VAL 35 HG13 VAL 35 -3.643 7.208 -6.780 262 HG21 VAL 35 HG21 VAL 35 -2.157 10.342 -6.454 263 HG22 VAL 35 HG22 VAL 35 -2.741 9.035 -7.483 264 HG23 VAL 35 HG23 VAL 35 -1.340 8.779 -6.443 265 H ILE 36 H ILE 36 -3.872 9.705 -2.416 266 HA ILE 36 HA ILE 36 -6.316 8.122 -2.062 267 HB ILE 36 HB ILE 36 -4.397 9.246 0.000 268 HG12 ILE 36 HG13 ILE 36 -4.570 6.451 -1.157 269 HG13 ILE 36 HG12 ILE 36 -3.401 7.659 -1.674 270 HG21 ILE 36 HG21 ILE 36 -5.732 6.826 0.747 271 HG22 ILE 36 HG22 ILE 36 -6.944 8.002 0.240 272 HG23 ILE 36 HG23 ILE 36 -5.809 8.403 1.530 273 HD11 ILE 36 HD11 ILE 36 -2.064 7.074 0.042 274 HD12 ILE 36 HD12 ILE 36 -3.278 5.926 0.610 275 HD13 ILE 36 HD13 ILE 36 -3.322 7.603 1.159 276 H ASP 37 H ASP 37 -8.229 9.119 -1.940 277 HA ASP 37 HA ASP 37 -8.382 11.823 -0.691 278 HB2 ASP 37 HB3 ASP 37 -10.090 10.505 -2.821 279 HB3 ASP 37 HB2 ASP 37 -10.505 12.023 -2.036 280 H ALA 38 H ALA 38 -10.954 12.028 -0.002 281 HA ALA 38 HA ALA 38 -11.251 10.350 2.280 282 HB1 ALA 38 HB1 ALA 38 -12.421 12.610 1.727 283 HB2 ALA 38 HB2 ALA 38 -13.348 11.394 2.606 284 HB3 ALA 38 HB3 ALA 38 -13.603 11.617 0.875 285 H LEU 39 H LEU 39 -12.981 10.280 -0.837 286 HA LEU 39 HA LEU 39 -14.248 7.738 -0.310 287 HB2 LEU 39 HB3 LEU 39 -13.648 9.022 -2.988 288 HB3 LEU 39 HB2 LEU 39 -14.851 7.780 -2.669 289 HG LEU 39 HG LEU 39 -14.857 10.620 -1.645 290 HD11 LEU 39 HD11 LEU 39 -16.753 10.934 -3.017 291 HD12 LEU 39 HD12 LEU 39 -17.001 9.199 -3.216 292 HD13 LEU 39 HD13 LEU 39 -15.652 9.995 -4.027 293 HD21 LEU 39 HD21 LEU 39 -15.713 9.423 0.181 294 HD22 LEU 39 HD22 LEU 39 -16.431 8.184 -0.848 295 HD23 LEU 39 HD23 LEU 39 -17.170 9.782 -0.747 296 H GLY 40 H GLY 40 -11.247 8.854 -1.693 297 HA2 GLY 40 HA3 GLY 40 -10.357 6.456 -2.913 298 HA3 GLY 40 HA2 GLY 40 -9.296 7.708 -2.256 299 H LEU 41 H LEU 41 -10.141 7.621 0.433 300 HA LEU 41 HA LEU 41 -8.593 5.422 1.431 301 HB2 LEU 41 HB3 LEU 41 -8.918 7.577 2.639 302 HB3 LEU 41 HB2 LEU 41 -10.611 7.154 2.890 303 HG LEU 41 HG LEU 41 -8.681 5.070 3.701 304 HD11 LEU 41 HD11 LEU 41 -8.924 7.670 5.246 305 HD12 LEU 41 HD12 LEU 41 -7.487 7.144 4.371 306 HD13 LEU 41 HD13 LEU 41 -8.050 6.231 5.771 307 HD21 LEU 41 HD21 LEU 41 -10.293 4.682 5.367 308 HD22 LEU 41 HD22 LEU 41 -11.273 5.293 4.034 309 HD23 LEU 41 HD23 LEU 41 -10.834 6.360 5.366 310 H LEU 42 H LEU 42 -12.077 6.024 1.146 311 HA LEU 42 HA LEU 42 -12.981 3.661 2.462 312 HB2 LEU 42 HB3 LEU 42 -14.485 5.516 1.817 313 HB3 LEU 42 HB2 LEU 42 -14.212 5.147 0.115 314 HG LEU 42 HG LEU 42 -14.985 2.706 1.011 315 HD11 LEU 42 HD11 LEU 42 -16.780 2.917 2.599 316 HD12 LEU 42 HD12 LEU 42 -16.662 4.677 2.579 317 HD13 LEU 42 HD13 LEU 42 -15.371 3.714 3.298 318 HD21 LEU 42 HD21 LEU 42 -16.014 3.594 -0.900 319 HD22 LEU 42 HD22 LEU 42 -16.538 5.053 -0.055 320 HD23 LEU 42 HD23 LEU 42 -17.341 3.514 0.260 321 H LYS 43 H LYS 43 -12.216 4.295 -0.944 322 HA LYS 43 HA LYS 43 -12.823 1.711 -1.937 323 HB2 LYS 43 HB3 LYS 43 -10.797 3.747 -2.879 324 HB3 LYS 43 HB2 LYS 43 -11.245 2.311 -3.791 325 HG2 LYS 43 HG3 LYS 43 -13.624 3.072 -3.744 326 HG3 LYS 43 HG2 LYS 43 -13.096 4.558 -2.954 327 HD2 LYS 43 HD3 LYS 43 -11.589 5.009 -4.894 328 HD3 LYS 43 HD2 LYS 43 -12.246 3.583 -5.696 329 HE2 LYS 43 HE3 LYS 43 -13.873 4.911 -6.517 330 HE3 LYS 43 HE2 LYS 43 -14.500 5.028 -4.872 331 HZ1 LYS 43 HZ1 LYS 43 -14.103 7.214 -5.772 332 HZ2 LYS 43 HZ2 LYS 43 -12.488 6.825 -6.115 333 HZ3 LYS 43 HZ3 LYS 43 -13.014 6.918 -4.502 334 H VAL 44 H VAL 44 -9.909 3.005 -0.402 335 HA VAL 44 HA VAL 44 -8.146 0.855 -0.980 336 HB VAL 44 HB VAL 44 -8.299 2.714 1.400 337 HG11 VAL 44 HG11 VAL 44 -6.413 0.483 0.717 338 HG12 VAL 44 HG12 VAL 44 -7.032 0.978 2.293 339 HG13 VAL 44 HG13 VAL 44 -5.776 1.929 1.500 340 HG21 VAL 44 HG21 VAL 44 -6.012 2.938 -0.377 341 HG22 VAL 44 HG22 VAL 44 -7.191 4.170 0.077 342 HG23 VAL 44 HG23 VAL 44 -7.521 3.088 -1.276 343 H ILE 45 H ILE 45 -10.245 1.357 1.862 344 HA ILE 45 HA ILE 45 -9.650 -1.204 3.025 345 HB ILE 45 HB ILE 45 -11.918 0.759 3.412 346 HG12 ILE 45 HG13 ILE 45 -10.660 0.782 5.734 347 HG13 ILE 45 HG12 ILE 45 -9.315 0.144 4.793 348 HG21 ILE 45 HG21 ILE 45 -12.054 -0.759 5.612 349 HG22 ILE 45 HG22 ILE 45 -11.492 -1.986 4.475 350 HG23 ILE 45 HG23 ILE 45 -12.995 -1.117 4.165 351 HD11 ILE 45 HD11 ILE 45 -10.840 2.659 4.065 352 HD12 ILE 45 HD12 ILE 45 -9.365 2.057 3.310 353 HD13 ILE 45 HD13 ILE 45 -9.326 2.650 4.969 354 H ALA 46 H ALA 46 -12.024 -0.124 0.659 355 HA ALA 46 HA ALA 46 -13.795 -2.359 0.854 356 HB1 ALA 46 HB1 ALA 46 -14.536 -1.691 -1.411 357 HB2 ALA 46 HB2 ALA 46 -13.148 -0.610 -1.532 358 HB3 ALA 46 HB3 ALA 46 -14.401 -0.303 -0.331 359 H TRP 47 H TRP 47 -11.044 -1.820 -1.403 360 HA TRP 47 HA TRP 47 -11.361 -4.537 -2.455 361 HB2 TRP 47 HB3 TRP 47 -10.236 -3.647 -4.180 362 HB3 TRP 47 HB2 TRP 47 -10.002 -2.159 -3.264 363 HD1 TRP 47 HD1 TRP 47 -8.385 -5.672 -3.526 364 HE1 TRP 47 HE1 TRP 47 -5.851 -5.409 -3.108 365 HE3 TRP 47 HE3 TRP 47 -8.186 -0.695 -2.554 366 HZ2 TRP 47 HZ2 TRP 47 -3.987 -3.328 -2.448 367 HZ3 TRP 47 HZ3 TRP 47 -6.033 0.423 -2.033 368 HH2 TRP 47 HH2 TRP 47 -3.931 -0.892 -1.982 369 H LEU 48 H LEU 48 -9.025 -2.859 -0.349 370 HA LEU 48 HA LEU 48 -7.238 -5.032 -0.022 371 HB2 LEU 48 HB3 LEU 48 -7.127 -2.541 0.827 372 HB3 LEU 48 HB2 LEU 48 -7.891 -3.195 2.271 373 HG LEU 48 HG LEU 48 -5.469 -3.188 2.565 374 HD11 LEU 48 HD11 LEU 48 -5.224 -5.371 3.347 375 HD12 LEU 48 HD12 LEU 48 -6.102 -6.066 1.988 376 HD13 LEU 48 HD13 LEU 48 -6.977 -5.213 3.263 377 HD21 LEU 48 HD21 LEU 48 -4.011 -3.737 0.923 378 HD22 LEU 48 HD22 LEU 48 -5.403 -3.673 -0.157 379 HD23 LEU 48 HD23 LEU 48 -4.888 -5.215 0.526 380 H GLU 49 H GLU 49 -10.194 -4.192 1.792 381 HA GLU 49 HA GLU 49 -9.949 -6.442 3.592 382 HB2 GLU 49 HB3 GLU 49 -12.024 -5.766 4.463 383 HB3 GLU 49 HB2 GLU 49 -11.310 -4.261 3.905 384 HG2 GLU 49 HG3 GLU 49 -13.458 -4.133 3.005 385 HG3 GLU 49 HG2 GLU 49 -12.535 -4.820 1.674 386 H ASP 50 H ASP 50 -11.578 -5.899 0.502 387 HA ASP 50 HA ASP 50 -13.169 -8.251 0.463 388 HB2 ASP 50 HB3 ASP 50 -13.290 -6.343 -1.169 389 HB3 ASP 50 HB2 ASP 50 -11.819 -6.968 -1.913 390 H ARG 51 H ARG 51 -9.775 -7.758 -0.455 391 HA ARG 51 HA ARG 51 -9.348 -10.278 -1.675 392 HB2 ARG 51 HB3 ARG 51 -7.462 -8.482 -0.157 393 HB3 ARG 51 HB2 ARG 51 -6.943 -9.892 -1.072 394 HG2 ARG 51 HG3 ARG 51 -8.029 -8.927 -3.100 395 HG3 ARG 51 HG2 ARG 51 -8.407 -7.481 -2.164 396 HD2 ARG 51 HD3 ARG 51 -6.360 -7.074 -3.401 397 HD3 ARG 51 HD2 ARG 51 -5.955 -7.220 -1.690 398 HE ARG 51 HE ARG 51 -5.626 -9.789 -2.609 399 HH11 ARG 51 HH22 ARG 51 -4.584 -6.672 -3.651 400 HH12 ARG 51 HH21 ARG 51 -3.109 -7.252 -4.350 401 HH21 ARG 51 HH11 ARG 51 -3.706 -10.565 -3.515 402 HH22 ARG 51 HH12 ARG 51 -2.612 -9.455 -4.273 403 H PHE 52 H PHE 52 -9.097 -9.356 1.773 404 HA PHE 52 HA PHE 52 -8.602 -12.232 2.380 405 HB2 PHE 52 HB3 PHE 52 -8.089 -9.691 3.938 406 HB3 PHE 52 HB2 PHE 52 -7.972 -11.296 4.659 407 HD1 PHE 52 HD2 PHE 52 -6.627 -9.078 2.010 408 HD2 PHE 52 HD1 PHE 52 -6.131 -12.758 4.168 409 HE1 PHE 52 HE2 PHE 52 -4.371 -9.353 1.023 410 HE2 PHE 52 HE1 PHE 52 -3.874 -13.034 3.179 411 HZ PHE 52 HZ PHE 52 -2.993 -11.331 1.606 412 H GLY 53 H GLY 53 -11.040 -9.867 2.427 413 HA2 GLY 53 HA3 GLY 53 -13.262 -10.023 3.169 414 HA3 GLY 53 HA2 GLY 53 -12.929 -11.700 3.608 415 H ILE 54 H ILE 54 -10.993 -9.032 4.811 416 HA ILE 54 HA ILE 54 -11.837 -9.801 7.536 417 HB ILE 54 HB ILE 54 -9.930 -8.257 8.215 418 HG12 ILE 54 HG13 ILE 54 -9.413 -8.332 5.222 419 HG13 ILE 54 HG12 ILE 54 -9.908 -6.906 6.132 420 HG21 ILE 54 HG21 ILE 54 -9.666 -10.695 8.073 421 HG22 ILE 54 HG22 ILE 54 -8.201 -9.888 7.516 422 HG23 ILE 54 HG23 ILE 54 -9.331 -10.569 6.346 423 HD11 ILE 54 HD11 ILE 54 -7.533 -6.757 5.925 424 HD12 ILE 54 HD12 ILE 54 -7.320 -8.449 6.375 425 HD13 ILE 54 HD13 ILE 54 -7.844 -7.274 7.582 426 H ALA 55 H ALA 55 -13.317 -8.620 8.625 427 HA ALA 55 HA ALA 55 -14.547 -6.295 7.485 428 HB1 ALA 55 HB1 ALA 55 -16.063 -7.111 8.957 429 HB2 ALA 55 HB2 ALA 55 -15.179 -6.191 10.173 430 HB3 ALA 55 HB3 ALA 55 -14.820 -7.900 9.927 431 H ALA 56 H ALA 56 -14.210 -4.118 7.880 432 HA ALA 56 HA ALA 56 -11.624 -3.282 8.799 433 HB1 ALA 56 HB1 ALA 56 -13.830 -1.299 8.857 434 HB2 ALA 56 HB2 ALA 56 -13.565 -2.105 7.311 435 HB3 ALA 56 HB3 ALA 56 -12.253 -1.205 8.072 436 H ASP 57 H ASP 57 -14.753 -3.596 10.378 437 HA ASP 57 HA ASP 57 -14.255 -2.056 12.697 438 HB2 ASP 57 HB3 ASP 57 -15.880 -4.571 12.315 439 HB3 ASP 57 HB2 ASP 57 -15.917 -3.599 13.781 440 H ASP 58 H ASP 58 -13.341 -5.385 11.907 441 HA ASP 58 HA ASP 58 -12.432 -6.185 14.467 442 HB2 ASP 58 HB3 ASP 58 -11.435 -6.935 11.718 443 HB3 ASP 58 HB2 ASP 58 -10.932 -7.751 13.196 444 H VAL 59 H VAL 59 -10.756 -4.388 11.906 445 HA VAL 59 HA VAL 59 -8.637 -3.725 13.912 446 HB VAL 59 HB VAL 59 -8.238 -4.109 10.940 447 HG11 VAL 59 HG11 VAL 59 -6.353 -2.933 11.319 448 HG12 VAL 59 HG12 VAL 59 -5.814 -4.260 12.348 449 HG13 VAL 59 HG13 VAL 59 -6.670 -2.889 13.052 450 HG21 VAL 59 HG21 VAL 59 -6.714 -6.007 12.170 451 HG22 VAL 59 HG22 VAL 59 -8.334 -6.310 11.541 452 HG23 VAL 59 HG23 VAL 59 -8.106 -5.952 13.252 453 H GLU 60 H GLU 60 -8.256 -1.547 14.139 454 HA GLU 60 HA GLU 60 -9.893 0.279 12.492 455 HB2 GLU 60 HB3 GLU 60 -9.745 0.543 14.980 456 HB3 GLU 60 HB2 GLU 60 -8.038 0.927 14.800 457 HG2 GLU 60 HG3 GLU 60 -8.659 2.806 13.299 458 HG3 GLU 60 HG2 GLU 60 -10.355 2.454 13.608 459 H LEU 61 H LEU 61 -9.054 1.451 10.823 460 HA LEU 61 HA LEU 61 -6.153 1.229 10.308 461 HB2 LEU 61 HB3 LEU 61 -8.510 2.065 8.621 462 HB3 LEU 61 HB2 LEU 61 -6.848 2.283 8.086 463 HG LEU 61 HG LEU 61 -7.853 0.151 7.274 464 HD11 LEU 61 HD11 LEU 61 -5.822 -0.847 7.373 465 HD12 LEU 61 HD12 LEU 61 -5.821 -0.866 9.137 466 HD13 LEU 61 HD13 LEU 61 -5.330 0.590 8.271 467 HD21 LEU 61 HD21 LEU 61 -9.171 -0.098 9.507 468 HD22 LEU 61 HD22 LEU 61 -7.692 -0.845 10.110 469 HD23 LEU 61 HD23 LEU 61 -8.543 -1.554 8.738 470 H SER 62 H SER 62 -4.800 2.975 10.465 471 HA SER 62 HA SER 62 -6.038 5.593 11.170 472 HB2 SER 62 HB3 SER 62 -4.636 5.452 12.942 473 HB3 SER 62 HB2 SER 62 -3.775 4.088 12.236 474 HG SER 62 HG SER 62 -3.415 6.628 11.121 475 HA PRO 63 HA PRO 63 -4.571 7.479 7.487 476 HB2 PRO 63 HB2 PRO 63 -3.194 9.684 8.585 477 HB3 PRO 63 HB3 PRO 63 -4.906 9.635 8.132 478 HG2 PRO 63 HG3 PRO 63 -3.645 9.369 10.792 479 HG3 PRO 63 HG2 PRO 63 -5.228 10.026 10.346 480 HD2 PRO 63 HD3 PRO 63 -4.952 7.591 11.519 481 HD3 PRO 63 HD2 PRO 63 -6.248 7.941 10.351 482 H GLU 64 H GLU 64 -2.307 6.761 10.046 483 HA GLU 64 HA GLU 64 0.111 7.283 8.572 484 HB2 GLU 64 HB3 GLU 64 -0.431 5.475 10.931 485 HB3 GLU 64 HB2 GLU 64 1.168 5.882 10.336 486 HG2 GLU 64 HG3 GLU 64 0.671 8.278 10.717 487 HG3 GLU 64 HG2 GLU 64 -0.887 7.822 11.394 488 H HIS 65 H HIS 65 -2.134 4.622 8.735 489 HA HIS 65 HA HIS 65 -0.418 2.600 7.655 490 HB2 HIS 65 HB3 HIS 65 -2.379 1.705 8.522 491 HB3 HIS 65 HB2 HIS 65 -3.376 2.999 7.861 492 HD1 HIS 65 HD1 HIS 65 -2.391 -0.438 7.224 493 HD2 HIS 65 HD2 HIS 65 -3.565 2.801 4.871 494 HE1 HIS 65 HE1 HIS 65 -3.085 -1.391 4.978 495 HE2 HIS 65 HE2 HIS 65 -3.793 0.571 3.539 496 H PHE 66 H PHE 66 -1.963 5.342 6.292 497 HA PHE 66 HA PHE 66 -1.646 4.296 3.540 498 HB2 PHE 66 HB3 PHE 66 -2.783 6.966 4.398 499 HB3 PHE 66 HB2 PHE 66 -2.985 6.163 2.846 500 HD1 PHE 66 HD1 PHE 66 -3.644 5.664 6.496 501 HD2 PHE 66 HD2 PHE 66 -4.848 4.790 2.467 502 HE1 PHE 66 HE1 PHE 66 -5.670 4.518 7.352 503 HE2 PHE 66 HE2 PHE 66 -6.874 3.641 3.325 504 HZ PHE 66 HZ PHE 66 -7.281 3.512 5.768 505 H ARG 67 H ARG 67 0.445 5.329 5.584 506 HA ARG 67 HA ARG 67 1.605 7.732 4.736 507 HB2 ARG 67 HB3 ARG 67 3.662 6.866 5.709 508 HB3 ARG 67 HB2 ARG 67 2.294 6.370 6.700 509 HG2 ARG 67 HG3 ARG 67 2.407 4.302 4.939 510 HG3 ARG 67 HG2 ARG 67 4.110 4.735 5.029 511 HD2 ARG 67 HD3 ARG 67 3.457 4.768 7.675 512 HD3 ARG 67 HD2 ARG 67 2.349 3.532 7.078 513 HE ARG 67 HE ARG 67 4.206 2.137 6.637 514 HH11 ARG 67 HH22 ARG 67 5.110 5.395 7.311 515 HH12 ARG 67 HH21 ARG 67 6.804 5.047 7.399 516 HH21 ARG 67 HH11 ARG 67 6.411 1.666 6.741 517 HH22 ARG 67 HH12 ARG 67 7.541 2.935 7.076 518 H SER 68 H SER 68 1.907 4.490 3.270 519 HA SER 68 HA SER 68 2.672 5.669 0.741 520 HB2 SER 68 HB3 SER 68 4.843 5.882 1.859 521 HB3 SER 68 HB2 SER 68 4.797 4.182 2.309 522 HG SER 68 HG SER 68 5.627 5.301 0.029 523 H ILE 69 H ILE 69 3.021 4.005 -0.928 524 HA ILE 69 HA ILE 69 1.184 1.859 -0.775 525 HB ILE 69 HB ILE 69 3.636 1.838 -2.537 526 HG12 ILE 69 HG13 ILE 69 1.709 3.132 -4.002 527 HG13 ILE 69 HG12 ILE 69 1.446 3.811 -2.395 528 HG21 ILE 69 HG21 ILE 69 1.701 0.036 -2.379 529 HG22 ILE 69 HG22 ILE 69 2.360 0.515 -3.943 530 HG23 ILE 69 HG23 ILE 69 0.838 1.204 -3.377 531 HD11 ILE 69 HD11 ILE 69 3.087 5.243 -3.233 532 HD12 ILE 69 HD12 ILE 69 3.888 3.958 -4.131 533 HD13 ILE 69 HD13 ILE 69 4.066 4.054 -2.380 534 H ARG 70 H ARG 70 4.603 2.116 -0.028 535 HA ARG 70 HA ARG 70 5.300 -0.613 0.225 536 HB2 ARG 70 HB3 ARG 70 6.181 1.699 1.987 537 HB3 ARG 70 HB2 ARG 70 7.042 0.178 1.763 538 HG2 ARG 70 HG3 ARG 70 7.656 0.702 -0.435 539 HG3 ARG 70 HG2 ARG 70 6.369 1.898 -0.610 540 HD2 ARG 70 HD3 ARG 70 8.549 3.010 -0.337 541 HD3 ARG 70 HD2 ARG 70 7.500 3.358 1.036 542 HE ARG 70 HE ARG 70 8.971 2.101 2.409 543 HH11 ARG 70 HH22 ARG 70 9.577 1.654 -0.954 544 HH12 ARG 70 HH21 ARG 70 11.058 0.790 -0.709 545 HH21 ARG 70 HH11 ARG 70 10.900 0.974 2.751 546 HH22 ARG 70 HH12 ARG 70 11.807 0.405 1.389 547 H SER 71 H SER 71 3.772 1.596 2.553 548 HA SER 71 HA SER 71 3.683 -0.287 4.723 549 HB2 SER 71 HB3 SER 71 2.222 1.296 5.783 550 HB3 SER 71 HB2 SER 71 3.406 2.232 4.877 551 HG SER 71 HG SER 71 1.194 1.509 3.426 552 H ILE 72 H ILE 72 1.535 0.413 2.010 553 HA ILE 72 HA ILE 72 -0.758 -0.977 2.940 554 HB ILE 72 HB ILE 72 0.238 -0.693 0.090 555 HG12 ILE 72 HG13 ILE 72 -1.539 1.119 1.761 556 HG13 ILE 72 HG12 ILE 72 0.116 1.477 1.271 557 HG21 ILE 72 HG21 ILE 72 -1.688 -1.681 -0.512 558 HG22 ILE 72 HG22 ILE 72 -2.615 -0.568 0.494 559 HG23 ILE 72 HG23 ILE 72 -1.973 -2.056 1.188 560 HD11 ILE 72 HD11 ILE 72 -1.001 2.545 -0.438 561 HD12 ILE 72 HD12 ILE 72 -2.377 1.444 -0.369 562 HD13 ILE 72 HD13 ILE 72 -0.878 0.935 -1.148 563 H ASP 73 H ASP 73 1.932 -2.120 0.869 564 HA ASP 73 HA ASP 73 1.029 -4.824 0.685 565 HB2 ASP 73 HB3 ASP 73 2.913 -3.670 -0.641 566 HB3 ASP 73 HB2 ASP 73 3.936 -3.995 0.756 567 H ALA 74 H ALA 74 3.135 -3.178 3.005 568 HA ALA 74 HA ALA 74 3.805 -5.494 4.549 569 HB1 ALA 74 HB1 ALA 74 4.671 -2.935 4.520 570 HB2 ALA 74 HB2 ALA 74 4.939 -4.021 5.885 571 HB3 ALA 74 HB3 ALA 74 3.602 -2.870 5.922 572 H PHE 75 H PHE 75 1.142 -3.161 4.742 573 HA PHE 75 HA PHE 75 0.086 -4.020 7.244 574 HB2 PHE 75 HB3 PHE 75 -0.623 -1.958 6.021 575 HB3 PHE 75 HB2 PHE 75 -1.470 -2.989 4.871 576 HD1 PHE 75 HD2 PHE 75 -1.337 -1.899 8.409 577 HD2 PHE 75 HD1 PHE 75 -3.553 -4.056 5.428 578 HE1 PHE 75 HE2 PHE 75 -3.285 -2.012 9.938 579 HE2 PHE 75 HE1 PHE 75 -5.501 -4.169 6.957 580 HZ PHE 75 HZ PHE 75 -5.368 -3.147 9.213 581 H VAL 76 H VAL 76 -0.669 -5.096 3.923 582 HA VAL 76 HA VAL 76 -2.645 -7.022 4.634 583 HB VAL 76 HB VAL 76 -0.707 -6.814 2.317 584 HG11 VAL 76 HG11 VAL 76 -2.270 -8.514 1.252 585 HG12 VAL 76 HG12 VAL 76 -2.880 -8.835 2.874 586 HG13 VAL 76 HG13 VAL 76 -1.188 -9.144 2.491 587 HG21 VAL 76 HG21 VAL 76 -3.652 -6.644 1.997 588 HG22 VAL 76 HG22 VAL 76 -2.381 -5.675 1.251 589 HG23 VAL 76 HG23 VAL 76 -2.906 -5.324 2.899 590 H VAL 77 H VAL 77 0.874 -7.364 4.120 591 HA VAL 77 HA VAL 77 0.953 -10.157 4.796 592 HB VAL 77 HB VAL 77 3.047 -7.972 4.699 593 HG11 VAL 77 HG11 VAL 77 4.653 -9.955 4.760 594 HG12 VAL 77 HG12 VAL 77 3.296 -10.916 5.347 595 HG13 VAL 77 HG13 VAL 77 3.879 -9.545 6.290 596 HG21 VAL 77 HG21 VAL 77 1.924 -8.848 2.582 597 HG22 VAL 77 HG22 VAL 77 2.661 -10.410 2.939 598 HG23 VAL 77 HG23 VAL 77 3.679 -9.004 2.625 599 H GLY 78 H GLY 78 1.584 -7.183 6.636 600 HA2 GLY 78 HA3 GLY 78 2.394 -8.441 9.061 601 HA3 GLY 78 HA2 GLY 78 1.745 -6.810 8.939 602 H ALA 79 H ALA 79 -0.815 -7.445 7.886 603 HA ALA 79 HA ALA 79 -2.185 -8.120 10.333 604 HB1 ALA 79 HB1 ALA 79 -3.115 -7.691 7.493 605 HB2 ALA 79 HB2 ALA 79 -3.296 -6.607 8.873 606 HB3 ALA 79 HB3 ALA 79 -4.231 -8.101 8.795 607 H THR 80 H THR 80 -1.642 -9.917 7.303 608 HA THR 80 HA THR 80 -3.119 -12.227 8.364 609 HB THR 80 HB THR 80 -2.630 -13.267 6.210 610 HG1 THR 80 HG1 THR 80 -1.363 -12.009 4.715 611 HG21 THR 80 HG21 THR 80 -3.785 -10.577 6.463 612 HG22 THR 80 HG22 THR 80 -4.430 -12.008 5.659 613 HG23 THR 80 HG23 THR 80 -3.271 -10.974 4.823 614 H THR 81 H THR 81 0.203 -11.207 7.930 615 HA THR 81 HA THR 81 1.047 -13.653 9.391 616 HB THR 81 HB THR 81 3.226 -13.117 7.871 617 HG1 THR 81 HG1 THR 81 0.944 -12.181 6.559 618 HG21 THR 81 HG21 THR 81 2.164 -15.310 8.148 619 HG22 THR 81 HG22 THR 81 2.475 -14.993 6.442 620 HG23 THR 81 HG23 THR 81 0.844 -14.812 7.089 621 HA PRO 82 HA PRO 82 3.130 -11.090 12.319 622 HB2 PRO 82 HB2 PRO 82 5.666 -12.434 11.516 623 HB3 PRO 82 HB3 PRO 82 4.970 -12.218 13.131 624 HG2 PRO 82 HG3 PRO 82 4.887 -14.558 11.776 625 HG3 PRO 82 HG2 PRO 82 3.670 -14.069 12.963 626 HD2 PRO 82 HD3 PRO 82 3.405 -14.310 10.045 627 HD3 PRO 82 HD2 PRO 82 2.139 -14.186 11.285 628 HA PRO 83 HA PRO 83 4.796 -7.683 10.042 629 HB2 PRO 83 HB2 PRO 83 6.733 -6.805 11.874 630 HB3 PRO 83 HB3 PRO 83 5.034 -6.312 11.826 631 HG2 PRO 83 HG3 PRO 83 6.389 -8.255 13.585 632 HG3 PRO 83 HG2 PRO 83 4.969 -7.245 13.895 633 HD2 PRO 83 HD3 PRO 83 4.810 -9.934 13.422 634 HD3 PRO 83 HD2 PRO 83 3.504 -8.800 13.015 635 H VAL 84 H VAL 84 6.500 -7.219 8.646 636 HA VAL 84 HA VAL 84 8.743 -9.188 8.669 637 HB VAL 84 HB VAL 84 7.808 -7.366 6.430 638 HG11 VAL 84 HG11 VAL 84 10.150 -9.016 6.830 639 HG12 VAL 84 HG12 VAL 84 9.757 -7.961 5.472 640 HG13 VAL 84 HG13 VAL 84 9.196 -9.632 5.480 641 HG21 VAL 84 HG21 VAL 84 6.049 -8.876 6.587 642 HG22 VAL 84 HG22 VAL 84 7.062 -10.143 7.277 643 HG23 VAL 84 HG23 VAL 84 7.149 -9.786 5.553 644 H GLU 85 H GLU 85 10.777 -8.480 9.110 645 HA GLU 85 HA GLU 85 12.388 -6.951 9.933 646 HB2 GLU 85 HB3 GLU 85 11.573 -5.708 7.288 647 HB3 GLU 85 HB2 GLU 85 13.062 -5.347 8.162 648 HG2 GLU 85 HG3 GLU 85 13.699 -7.747 8.023 649 HG3 GLU 85 HG2 GLU 85 12.241 -8.058 7.079 650 H ALA 86 H ALA 86 9.478 -6.323 10.608 651 HA ALA 86 HA ALA 86 8.201 -4.492 11.396 652 HB1 ALA 86 HB1 ALA 86 10.103 -2.972 12.722 653 HB2 ALA 86 HB2 ALA 86 10.851 -4.568 12.645 654 HB3 ALA 86 HB3 ALA 86 9.265 -4.373 13.391 655 H LYS 87 H LYS 87 7.684 -3.396 9.428 656 HA LYS 87 HA LYS 87 9.414 -1.667 7.993 657 HB2 LYS 87 HB3 LYS 87 7.161 -2.438 7.207 658 HB3 LYS 87 HB2 LYS 87 6.422 -1.328 8.362 659 HG2 LYS 87 HG3 LYS 87 7.651 0.555 7.274 660 HG3 LYS 87 HG2 LYS 87 8.253 -0.579 6.065 661 HD2 LYS 87 HD3 LYS 87 5.891 -1.145 5.475 662 HD3 LYS 87 HD2 LYS 87 5.346 0.097 6.602 663 HE2 LYS 87 HE3 LYS 87 6.171 0.424 3.885 664 HE3 LYS 87 HE2 LYS 87 5.620 1.664 5.011 665 HZ1 LYS 87 HZ1 LYS 87 7.931 1.678 5.916 666 HZ2 LYS 87 HZ2 LYS 87 7.791 2.252 4.326 667 HZ3 LYS 87 HZ3 LYS 87 8.393 0.688 4.613 668 H LEU 88 H LEU 88 7.338 -1.040 10.805 669 HA LEU 88 HA LEU 88 7.660 1.788 10.889 670 HB2 LEU 88 HB3 LEU 88 7.366 -0.122 13.230 671 HB3 LEU 88 HB2 LEU 88 7.026 1.609 13.251 672 HG LEU 88 HG LEU 88 5.592 -0.475 11.578 673 HD11 LEU 88 HD11 LEU 88 3.656 0.136 12.978 674 HD12 LEU 88 HD12 LEU 88 4.664 1.261 13.888 675 HD13 LEU 88 HD13 LEU 88 4.978 -0.473 13.973 676 HD21 LEU 88 HD21 LEU 88 5.467 1.410 10.224 677 HD22 LEU 88 HD22 LEU 88 5.596 2.523 11.586 678 HD23 LEU 88 HD23 LEU 88 4.077 1.684 11.274 679 H GLN 89 H GLN 89 9.710 -0.842 12.067 680 HA GLN 89 HA GLN 89 11.891 1.143 12.429 681 HB2 GLN 89 HB3 GLN 89 11.058 -0.910 14.502 682 HB3 GLN 89 HB2 GLN 89 12.536 0.052 14.579 683 HG2 GLN 89 HG3 GLN 89 11.213 2.120 14.609 684 HG3 GLN 89 HG2 GLN 89 9.723 1.183 14.482 685 HE21 GLN 89 HE22 GLN 89 10.164 2.889 16.724 686 HE22 GLN 89 HE21 GLN 89 10.369 1.927 18.107 Start of MODEL 17 1 H1 SER -1 H1 SER -1 9.300 -13.262 -2.185 2 H2 SER -1 H2 SER -1 9.303 -12.453 -0.690 3 H3 SER -1 H3 SER -1 8.595 -11.725 -2.053 4 HA SER -1 HA SER -1 6.867 -13.378 -2.116 5 HB2 SER -1 HB3 SER -1 7.830 -14.504 0.486 6 HB3 SER -1 HB2 SER -1 6.850 -15.263 -0.765 7 HG SER -1 HG SER -1 8.779 -15.206 -2.086 8 H GLU 0 H GLU 0 8.388 -11.713 0.590 9 HA GLU 0 HA GLU 0 6.063 -11.345 2.202 10 HB2 GLU 0 HB3 GLU 0 8.498 -9.569 1.853 11 HB3 GLU 0 HB2 GLU 0 7.299 -9.385 3.134 12 HG2 GLU 0 HG3 GLU 0 7.782 -11.702 3.890 13 HG3 GLU 0 HG2 GLU 0 9.029 -11.827 2.649 14 H MET 1 H MET 1 7.264 -9.623 -0.635 15 HA MET 1 HA MET 1 5.596 -7.325 -0.472 16 HB2 MET 1 HB3 MET 1 6.689 -8.818 -2.869 17 HB3 MET 1 HB2 MET 1 5.848 -7.273 -2.985 18 HG2 MET 1 HG3 MET 1 7.524 -6.288 -1.419 19 HG3 MET 1 HG2 MET 1 8.393 -7.822 -1.430 20 HE1 MET 1 HE1 MET 1 10.404 -5.119 -3.305 21 HE2 MET 1 HE2 MET 1 10.866 -6.735 -2.755 22 HE3 MET 1 HE3 MET 1 9.862 -5.707 -1.736 23 H GLN 2 H GLN 2 4.964 -10.580 -1.712 24 HA GLN 2 HA GLN 2 2.959 -11.583 -2.398 25 HB2 GLN 2 HB3 GLN 2 1.775 -9.407 -0.641 26 HB3 GLN 2 HB2 GLN 2 0.919 -10.836 -1.220 27 HG2 GLN 2 HG3 GLN 2 2.611 -12.268 -0.070 28 HG3 GLN 2 HG2 GLN 2 3.352 -10.809 0.589 29 HE21 GLN 2 HE22 GLN 2 0.146 -10.042 0.440 30 HE22 GLN 2 HE21 GLN 2 -0.347 -10.544 1.985 31 H HIS 3 H HIS 3 4.029 -9.910 -4.275 32 HA HIS 3 HA HIS 3 3.362 -8.980 -6.330 33 HB2 HIS 3 HB3 HIS 3 0.529 -8.699 -5.359 34 HB3 HIS 3 HB2 HIS 3 1.124 -9.013 -6.985 35 HD1 HIS 3 HD1 HIS 3 0.203 -10.718 -3.801 36 HD2 HIS 3 HD2 HIS 3 1.923 -11.745 -7.460 37 HE1 HIS 3 HE1 HIS 3 0.184 -13.250 -3.917 38 HE2 HIS 3 HE2 HIS 3 1.229 -13.885 -6.139 39 H ALA 4 H ALA 4 4.538 -7.304 -4.558 40 HA ALA 4 HA ALA 4 2.993 -5.055 -3.720 41 HB1 ALA 4 HB1 ALA 4 5.913 -5.455 -4.332 42 HB2 ALA 4 HB2 ALA 4 5.141 -5.133 -2.777 43 HB3 ALA 4 HB3 ALA 4 5.292 -3.846 -3.971 44 H SER 5 H SER 5 4.746 -5.729 -6.736 45 HA SER 5 HA SER 5 4.339 -3.200 -7.975 46 HB2 SER 5 HB3 SER 5 4.488 -5.908 -9.326 47 HB3 SER 5 HB2 SER 5 4.805 -4.346 -10.078 48 HG SER 5 HG SER 5 6.418 -5.908 -8.552 49 H VAL 6 H VAL 6 2.284 -6.086 -7.829 50 HA VAL 6 HA VAL 6 0.338 -5.253 -9.730 51 HB VAL 6 HB VAL 6 0.107 -6.972 -7.261 52 HG11 VAL 6 HG11 VAL 6 -1.940 -6.283 -9.379 53 HG12 VAL 6 HG12 VAL 6 -2.101 -6.118 -7.630 54 HG13 VAL 6 HG13 VAL 6 -2.068 -7.720 -8.367 55 HG21 VAL 6 HG21 VAL 6 1.489 -7.888 -9.066 56 HG22 VAL 6 HG22 VAL 6 0.205 -7.572 -10.232 57 HG23 VAL 6 HG23 VAL 6 -0.028 -8.780 -8.969 58 H ILE 7 H ILE 7 0.557 -4.681 -6.234 59 HA ILE 7 HA ILE 7 -1.891 -3.282 -5.934 60 HB ILE 7 HB ILE 7 0.727 -2.843 -4.465 61 HG12 ILE 7 HG13 ILE 7 -1.621 -4.597 -3.694 62 HG13 ILE 7 HG12 ILE 7 -0.198 -5.213 -4.533 63 HG21 ILE 7 HG21 ILE 7 -0.577 -1.068 -3.749 64 HG22 ILE 7 HG22 ILE 7 -1.135 -2.316 -2.636 65 HG23 ILE 7 HG23 ILE 7 -2.090 -1.915 -4.065 66 HD11 ILE 7 HD11 ILE 7 0.255 -5.592 -2.237 67 HD12 ILE 7 HD12 ILE 7 -0.356 -4.004 -1.771 68 HD13 ILE 7 HD13 ILE 7 1.174 -4.142 -2.638 69 H ALA 8 H ALA 8 1.393 -2.005 -6.549 70 HA ALA 8 HA ALA 8 0.589 0.728 -6.766 71 HB1 ALA 8 HB1 ALA 8 2.836 0.222 -8.466 72 HB2 ALA 8 HB2 ALA 8 2.995 -0.769 -7.015 73 HB3 ALA 8 HB3 ALA 8 2.814 0.980 -6.873 74 H GLN 9 H GLN 9 1.012 -1.779 -9.288 75 HA GLN 9 HA GLN 9 0.431 0.009 -11.463 76 HB2 GLN 9 HB3 GLN 9 0.255 -3.004 -11.264 77 HB3 GLN 9 HB2 GLN 9 0.078 -2.100 -12.769 78 HG2 GLN 9 HG3 GLN 9 2.334 -1.109 -12.403 79 HG3 GLN 9 HG2 GLN 9 2.514 -2.109 -10.963 80 HE21 GLN 9 HE22 GLN 9 0.711 -3.973 -13.020 81 HE22 GLN 9 HE21 GLN 9 1.954 -4.825 -13.802 82 H PHE 10 H PHE 10 -1.654 -2.328 -9.734 83 HA PHE 10 HA PHE 10 -3.962 -1.690 -11.343 84 HB2 PHE 10 HB3 PHE 10 -4.700 -3.546 -10.331 85 HB3 PHE 10 HB2 PHE 10 -3.334 -3.506 -9.221 86 HD1 PHE 10 HD1 PHE 10 -3.487 -2.174 -7.107 87 HD2 PHE 10 HD2 PHE 10 -6.881 -2.846 -9.643 88 HE1 PHE 10 HE1 PHE 10 -4.993 -1.546 -5.252 89 HE2 PHE 10 HE2 PHE 10 -8.396 -2.213 -7.783 90 HZ PHE 10 HZ PHE 10 -7.451 -1.563 -5.583 91 H VAL 11 H VAL 11 -2.959 -0.635 -8.082 92 HA VAL 11 HA VAL 11 -5.235 1.018 -7.606 93 HB VAL 11 HB VAL 11 -3.402 0.295 -5.947 94 HG11 VAL 11 HG11 VAL 11 -2.104 2.856 -6.900 95 HG12 VAL 11 HG12 VAL 11 -1.577 1.265 -7.447 96 HG13 VAL 11 HG13 VAL 11 -1.473 1.687 -5.739 97 HG21 VAL 11 HG21 VAL 11 -3.726 2.356 -4.597 98 HG22 VAL 11 HG22 VAL 11 -5.230 1.825 -5.347 99 HG23 VAL 11 HG23 VAL 11 -4.336 3.182 -6.030 100 H VAL 12 H VAL 12 -2.119 1.717 -9.170 101 HA VAL 12 HA VAL 12 -2.542 4.525 -9.497 102 HB VAL 12 HB VAL 12 -0.918 2.539 -11.085 103 HG11 VAL 12 HG11 VAL 12 0.230 4.644 -11.949 104 HG12 VAL 12 HG12 VAL 12 -1.154 5.545 -11.331 105 HG13 VAL 12 HG13 VAL 12 -1.381 4.340 -12.599 106 HG21 VAL 12 HG21 VAL 12 0.147 4.756 -9.365 107 HG22 VAL 12 HG22 VAL 12 0.881 3.201 -9.756 108 HG23 VAL 12 HG23 VAL 12 -0.445 3.283 -8.598 109 H GLU 13 H GLU 13 -3.326 1.763 -11.618 110 HA GLU 13 HA GLU 13 -4.354 3.356 -13.753 111 HB2 GLU 13 HB3 GLU 13 -4.874 0.503 -12.937 112 HB3 GLU 13 HB2 GLU 13 -5.523 1.218 -14.405 113 HG2 GLU 13 HG3 GLU 13 -3.232 1.773 -15.143 114 HG3 GLU 13 HG2 GLU 13 -2.596 1.012 -13.689 115 H GLU 14 H GLU 14 -5.874 1.978 -10.871 116 HA GLU 14 HA GLU 14 -8.574 2.585 -11.620 117 HB2 GLU 14 HB3 GLU 14 -7.923 1.031 -9.771 118 HB3 GLU 14 HB2 GLU 14 -7.414 2.429 -8.825 119 HG2 GLU 14 HG3 GLU 14 -9.716 3.356 -8.994 120 HG3 GLU 14 HG2 GLU 14 -10.213 1.909 -9.873 121 H PHE 15 H PHE 15 -6.112 4.446 -9.864 122 HA PHE 15 HA PHE 15 -8.008 6.702 -9.594 123 HB2 PHE 15 HB3 PHE 15 -6.533 6.060 -7.689 124 HB3 PHE 15 HB2 PHE 15 -5.130 6.488 -8.671 125 HD1 PHE 15 HD1 PHE 15 -8.281 7.851 -7.213 126 HD2 PHE 15 HD2 PHE 15 -4.427 8.739 -8.886 127 HE1 PHE 15 HE1 PHE 15 -8.545 10.228 -6.557 128 HE2 PHE 15 HE2 PHE 15 -4.691 11.117 -8.235 129 HZ PHE 15 HZ PHE 15 -6.750 11.862 -7.070 130 H LEU 16 H LEU 16 -4.747 6.164 -10.994 131 HA LEU 16 HA LEU 16 -5.275 8.514 -12.768 132 HB2 LEU 16 HB3 LEU 16 -2.906 7.664 -11.208 133 HB3 LEU 16 HB2 LEU 16 -2.590 8.300 -12.821 134 HG LEU 16 HG LEU 16 -4.442 9.733 -10.932 135 HD11 LEU 16 HD11 LEU 16 -1.518 9.450 -10.759 136 HD12 LEU 16 HD12 LEU 16 -2.663 10.041 -9.554 137 HD13 LEU 16 HD13 LEU 16 -2.066 11.125 -10.810 138 HD21 LEU 16 HD21 LEU 16 -4.375 11.400 -12.489 139 HD22 LEU 16 HD22 LEU 16 -3.850 10.112 -13.574 140 HD23 LEU 16 HD23 LEU 16 -2.657 11.161 -12.808 141 HA PRO 17 HA PRO 17 -4.779 4.746 -15.457 142 HB2 PRO 17 HB2 PRO 17 -6.694 5.520 -17.284 143 HB3 PRO 17 HB3 PRO 17 -7.006 4.492 -15.875 144 HG2 PRO 17 HG3 PRO 17 -7.596 7.353 -16.291 145 HG3 PRO 17 HG2 PRO 17 -8.450 6.148 -15.319 146 HD2 PRO 17 HD3 PRO 17 -6.788 8.100 -14.291 147 HD3 PRO 17 HD2 PRO 17 -7.196 6.589 -13.456 148 H ASP 18 H ASP 18 -4.524 8.145 -15.936 149 HA ASP 18 HA ASP 18 -3.430 7.828 -18.663 150 HB2 ASP 18 HB3 ASP 18 -3.994 10.245 -16.947 151 HB3 ASP 18 HB2 ASP 18 -3.271 10.333 -18.547 152 H VAL 19 H VAL 19 -2.189 7.276 -15.721 153 HA VAL 19 HA VAL 19 0.464 8.485 -16.419 154 HB VAL 19 HB VAL 19 -0.551 7.741 -13.662 155 HG11 VAL 19 HG11 VAL 19 1.970 9.000 -14.739 156 HG12 VAL 19 HG12 VAL 19 1.808 7.642 -13.626 157 HG13 VAL 19 HG13 VAL 19 1.450 9.280 -13.078 158 HG21 VAL 19 HG21 VAL 19 -0.340 10.422 -15.068 159 HG22 VAL 19 HG22 VAL 19 -0.635 10.231 -13.339 160 HG23 VAL 19 HG23 VAL 19 -1.818 9.642 -14.507 161 H ALA 20 H ALA 20 2.182 7.090 -16.577 162 HA ALA 20 HA ALA 20 1.632 4.230 -16.581 163 HB1 ALA 20 HB1 ALA 20 4.262 5.701 -16.887 164 HB2 ALA 20 HB2 ALA 20 3.172 5.290 -18.212 165 HB3 ALA 20 HB3 ALA 20 3.965 4.010 -17.293 166 HA PRO 21 HA PRO 21 2.475 3.919 -12.116 167 HB2 PRO 21 HB2 PRO 21 2.927 1.063 -12.796 168 HB3 PRO 21 HB3 PRO 21 1.861 1.779 -11.575 169 HG2 PRO 21 HG3 PRO 21 0.955 0.722 -13.882 170 HG3 PRO 21 HG2 PRO 21 0.147 2.051 -13.039 171 HD2 PRO 21 HD3 PRO 21 1.703 2.110 -15.559 172 HD3 PRO 21 HD2 PRO 21 0.448 3.224 -14.971 173 H ALA 22 H ALA 22 4.521 2.638 -14.681 174 HA ALA 22 HA ALA 22 6.787 1.962 -13.060 175 HB1 ALA 22 HB1 ALA 22 7.638 1.333 -15.052 176 HB2 ALA 22 HB2 ALA 22 7.544 2.983 -15.669 177 HB3 ALA 22 HB3 ALA 22 6.149 1.912 -15.799 178 H ASP 23 H ASP 23 5.551 4.992 -14.280 179 HA ASP 23 HA ASP 23 8.029 6.456 -13.739 180 HB2 ASP 23 HB3 ASP 23 6.412 7.136 -15.529 181 HB3 ASP 23 HB2 ASP 23 5.248 7.539 -14.266 182 H VAL 24 H VAL 24 5.872 5.069 -11.710 183 HA VAL 24 HA VAL 24 5.941 7.336 -9.754 184 HB VAL 24 HB VAL 24 4.293 4.814 -9.534 185 HG11 VAL 24 HG11 VAL 24 3.681 7.542 -8.412 186 HG12 VAL 24 HG12 VAL 24 4.784 6.450 -7.574 187 HG13 VAL 24 HG13 VAL 24 3.111 5.967 -7.860 188 HG21 VAL 24 HG21 VAL 24 3.752 5.999 -11.659 189 HG22 VAL 24 HG22 VAL 24 3.471 7.479 -10.741 190 HG23 VAL 24 HG23 VAL 24 2.422 6.080 -10.503 191 H ASP 25 H ASP 25 7.291 7.116 -8.026 192 HA ASP 25 HA ASP 25 8.691 4.537 -7.669 193 HB2 ASP 25 HB3 ASP 25 9.044 7.245 -6.346 194 HB3 ASP 25 HB2 ASP 25 10.045 5.833 -6.006 195 H VAL 26 H VAL 26 7.863 3.064 -6.240 196 HA VAL 26 HA VAL 26 5.706 3.752 -4.443 197 HB VAL 26 HB VAL 26 5.964 1.440 -3.619 198 HG11 VAL 26 HG11 VAL 26 5.454 2.245 -6.304 199 HG12 VAL 26 HG12 VAL 26 4.818 0.836 -5.455 200 HG13 VAL 26 HG13 VAL 26 6.326 0.713 -6.362 201 HG21 VAL 26 HG21 VAL 26 8.426 1.353 -3.632 202 HG22 VAL 26 HG22 VAL 26 8.424 1.420 -5.394 203 HG23 VAL 26 HG23 VAL 26 7.754 0.015 -4.564 204 H ASP 27 H ASP 27 8.838 4.618 -4.286 205 HA ASP 27 HA ASP 27 9.231 4.102 -1.402 206 HB2 ASP 27 HB3 ASP 27 10.944 5.455 -3.507 207 HB3 ASP 27 HB2 ASP 27 11.409 5.291 -1.817 208 H LEU 28 H LEU 28 7.670 6.332 -3.323 209 HA LEU 28 HA LEU 28 8.230 8.642 -1.544 210 HB2 LEU 28 HB3 LEU 28 8.183 8.987 -4.008 211 HB3 LEU 28 HB2 LEU 28 6.502 8.471 -4.032 212 HG LEU 28 HG LEU 28 5.987 10.319 -2.397 213 HD11 LEU 28 HD11 LEU 28 7.783 11.208 -1.350 214 HD12 LEU 28 HD12 LEU 28 8.066 12.104 -2.842 215 HD13 LEU 28 HD13 LEU 28 8.901 10.577 -2.559 216 HD21 LEU 28 HD21 LEU 28 5.496 10.676 -4.735 217 HD22 LEU 28 HD22 LEU 28 7.190 11.018 -5.090 218 HD23 LEU 28 HD23 LEU 28 6.243 12.150 -4.122 219 H ASP 29 H ASP 29 6.648 9.470 -0.155 220 HA ASP 29 HA ASP 29 4.672 7.694 0.823 221 HB2 ASP 29 HB3 ASP 29 4.849 10.714 1.043 222 HB3 ASP 29 HB2 ASP 29 3.728 9.719 1.974 223 H LEU 30 H LEU 30 2.693 7.191 0.095 224 HA LEU 30 HA LEU 30 1.716 8.155 -2.418 225 HB2 LEU 30 HB3 LEU 30 1.217 5.907 -1.474 226 HB3 LEU 30 HB2 LEU 30 0.214 6.674 -0.247 227 HG LEU 30 HG LEU 30 -1.183 7.668 -2.057 228 HD11 LEU 30 HD11 LEU 30 0.946 6.419 -3.686 229 HD12 LEU 30 HD12 LEU 30 -0.078 7.809 -4.046 230 HD13 LEU 30 HD13 LEU 30 -0.693 6.173 -4.287 231 HD21 LEU 30 HD21 LEU 30 -1.349 5.193 -1.002 232 HD22 LEU 30 HD22 LEU 30 -1.131 4.757 -2.696 233 HD23 LEU 30 HD23 LEU 30 -2.487 5.776 -2.216 234 H VAL 31 H VAL 31 0.884 8.968 0.931 235 HA VAL 31 HA VAL 31 -1.437 10.509 0.317 236 HB VAL 31 HB VAL 31 0.505 10.721 2.625 237 HG11 VAL 31 HG11 VAL 31 -1.914 11.744 3.456 238 HG12 VAL 31 HG12 VAL 31 -1.803 12.354 1.803 239 HG13 VAL 31 HG13 VAL 31 -0.526 12.717 2.966 240 HG21 VAL 31 HG21 VAL 31 -0.602 8.612 2.672 241 HG22 VAL 31 HG22 VAL 31 -2.127 9.316 2.135 242 HG23 VAL 31 HG23 VAL 31 -1.534 9.635 3.766 243 H ASP 32 H ASP 32 1.995 11.395 0.383 244 HA ASP 32 HA ASP 32 1.745 14.197 0.282 245 HB2 ASP 32 HB3 ASP 32 3.911 12.878 0.324 246 HB3 ASP 32 HB2 ASP 32 3.685 12.585 -1.401 247 H ASN 33 H ASN 33 1.205 11.767 -2.185 248 HA ASN 33 HA ASN 33 0.909 13.600 -4.395 249 HB2 ASN 33 HB3 ASN 33 -0.034 10.773 -3.935 250 HB3 ASN 33 HB2 ASN 33 -0.227 11.620 -5.463 251 HD21 ASN 33 HD22 ASN 33 1.381 9.261 -5.294 252 HD22 ASN 33 HD21 ASN 33 3.004 9.693 -5.536 253 H GLY 34 H GLY 34 -1.303 12.224 -2.010 254 HA2 GLY 34 HA3 GLY 34 -3.405 13.166 -1.354 255 HA3 GLY 34 HA2 GLY 34 -3.330 14.240 -2.756 256 H VAL 35 H VAL 35 -2.492 11.181 -3.731 257 HA VAL 35 HA VAL 35 -4.795 10.793 -5.359 258 HB VAL 35 HB VAL 35 -2.699 8.834 -4.373 259 HG11 VAL 35 HG11 VAL 35 -5.187 8.413 -5.845 260 HG12 VAL 35 HG12 VAL 35 -4.089 7.226 -5.141 261 HG13 VAL 35 HG13 VAL 35 -3.776 7.872 -6.753 262 HG21 VAL 35 HG21 VAL 35 -1.482 9.407 -6.237 263 HG22 VAL 35 HG22 VAL 35 -2.352 10.928 -6.040 264 HG23 VAL 35 HG23 VAL 35 -2.921 9.731 -7.204 265 H ILE 36 H ILE 36 -4.027 9.875 -2.077 266 HA ILE 36 HA ILE 36 -6.384 8.122 -1.863 267 HB ILE 36 HB ILE 36 -4.459 9.072 0.281 268 HG12 ILE 36 HG13 ILE 36 -4.501 6.442 -1.222 269 HG13 ILE 36 HG12 ILE 36 -3.425 7.777 -1.616 270 HG21 ILE 36 HG21 ILE 36 -5.756 7.926 1.715 271 HG22 ILE 36 HG22 ILE 36 -5.665 6.495 0.689 272 HG23 ILE 36 HG23 ILE 36 -6.929 7.694 0.418 273 HD11 ILE 36 HD11 ILE 36 -3.075 5.782 0.387 274 HD12 ILE 36 HD12 ILE 36 -3.287 7.334 1.200 275 HD13 ILE 36 HD13 ILE 36 -2.007 7.133 0.003 276 H ASP 37 H ASP 37 -8.310 8.773 -1.085 277 HA ASP 37 HA ASP 37 -8.510 11.339 0.403 278 HB2 ASP 37 HB3 ASP 37 -9.016 11.625 -2.094 279 HB3 ASP 37 HB2 ASP 37 -10.429 10.604 -1.819 280 H ALA 38 H ALA 38 -11.358 11.295 0.539 281 HA ALA 38 HA ALA 38 -11.752 9.397 2.658 282 HB1 ALA 38 HB1 ALA 38 -14.255 10.033 2.197 283 HB2 ALA 38 HB2 ALA 38 -13.561 11.226 1.100 284 HB3 ALA 38 HB3 ALA 38 -13.157 11.267 2.816 285 H LEU 39 H LEU 39 -13.122 9.539 -0.635 286 HA LEU 39 HA LEU 39 -14.226 6.874 -0.494 287 HB2 LEU 39 HB3 LEU 39 -13.601 8.699 -2.822 288 HB3 LEU 39 HB2 LEU 39 -14.384 7.135 -3.008 289 HG LEU 39 HG LEU 39 -16.128 7.929 -1.362 290 HD11 LEU 39 HD11 LEU 39 -15.180 9.735 -0.214 291 HD12 LEU 39 HD12 LEU 39 -16.234 10.547 -1.371 292 HD13 LEU 39 HD13 LEU 39 -14.503 10.440 -1.682 293 HD21 LEU 39 HD21 LEU 39 -16.783 9.851 -3.256 294 HD22 LEU 39 HD22 LEU 39 -17.155 8.131 -3.370 295 HD23 LEU 39 HD23 LEU 39 -15.699 8.770 -4.133 296 H GLY 40 H GLY 40 -11.208 8.331 -1.483 297 HA2 GLY 40 HA3 GLY 40 -10.052 6.140 -2.858 298 HA3 GLY 40 HA2 GLY 40 -9.141 7.383 -1.996 299 H LEU 41 H LEU 41 -10.066 6.985 0.593 300 HA LEU 41 HA LEU 41 -8.476 4.762 1.458 301 HB2 LEU 41 HB3 LEU 41 -8.754 6.588 2.971 302 HB3 LEU 41 HB2 LEU 41 -10.512 6.510 2.853 303 HG LEU 41 HG LEU 41 -9.178 4.015 3.738 304 HD11 LEU 41 HD11 LEU 41 -9.302 6.494 5.483 305 HD12 LEU 41 HD12 LEU 41 -7.834 5.686 4.933 306 HD13 LEU 41 HD13 LEU 41 -8.921 4.869 6.057 307 HD21 LEU 41 HD21 LEU 41 -11.393 5.442 5.170 308 HD22 LEU 41 HD22 LEU 41 -11.173 3.715 4.895 309 HD23 LEU 41 HD23 LEU 41 -11.734 4.751 3.584 310 H LEU 42 H LEU 42 -11.977 5.233 1.107 311 HA LEU 42 HA LEU 42 -12.788 2.737 2.195 312 HB2 LEU 42 HB3 LEU 42 -14.474 4.384 1.777 313 HB3 LEU 42 HB2 LEU 42 -14.011 4.524 0.082 314 HG LEU 42 HG LEU 42 -14.818 2.282 -0.380 315 HD11 LEU 42 HD11 LEU 42 -14.427 0.920 1.439 316 HD12 LEU 42 HD12 LEU 42 -16.144 1.241 1.679 317 HD13 LEU 42 HD13 LEU 42 -14.942 2.144 2.601 318 HD21 LEU 42 HD21 LEU 42 -16.456 4.418 0.598 319 HD22 LEU 42 HD22 LEU 42 -17.193 2.885 1.063 320 HD23 LEU 42 HD23 LEU 42 -16.842 3.215 -0.634 321 H LYS 43 H LYS 43 -11.932 3.637 -1.142 322 HA LYS 43 HA LYS 43 -12.439 1.072 -2.264 323 HB2 LYS 43 HB3 LYS 43 -10.489 3.232 -3.084 324 HB3 LYS 43 HB2 LYS 43 -10.856 1.819 -4.065 325 HG2 LYS 43 HG3 LYS 43 -13.263 2.471 -4.041 326 HG3 LYS 43 HG2 LYS 43 -12.824 3.938 -3.164 327 HD2 LYS 43 HD3 LYS 43 -11.304 4.562 -5.044 328 HD3 LYS 43 HD2 LYS 43 -11.870 3.147 -5.933 329 HE2 LYS 43 HE3 LYS 43 -13.652 4.307 -6.658 330 HE3 LYS 43 HE2 LYS 43 -14.162 4.572 -4.990 331 HZ1 LYS 43 HZ1 LYS 43 -13.277 6.626 -4.946 332 HZ2 LYS 43 HZ2 LYS 43 -13.471 6.538 -6.629 333 HZ3 LYS 43 HZ3 LYS 43 -11.957 6.212 -5.932 334 H VAL 44 H VAL 44 -9.635 2.402 -0.585 335 HA VAL 44 HA VAL 44 -7.754 0.376 -1.230 336 HB VAL 44 HB VAL 44 -8.043 2.112 1.223 337 HG11 VAL 44 HG11 VAL 44 -5.615 1.463 1.590 338 HG12 VAL 44 HG12 VAL 44 -5.864 0.170 0.417 339 HG13 VAL 44 HG13 VAL 44 -6.786 0.187 1.921 340 HG21 VAL 44 HG21 VAL 44 -5.900 2.279 -0.878 341 HG22 VAL 44 HG22 VAL 44 -6.533 3.551 0.167 342 HG23 VAL 44 HG23 VAL 44 -7.488 2.976 -1.200 343 H ILE 45 H ILE 45 -9.941 0.613 1.583 344 HA ILE 45 HA ILE 45 -9.203 -1.945 2.657 345 HB ILE 45 HB ILE 45 -11.621 -0.177 3.061 346 HG12 ILE 45 HG13 ILE 45 -10.411 -0.110 5.399 347 HG13 ILE 45 HG12 ILE 45 -9.003 -0.635 4.480 348 HG21 ILE 45 HG21 ILE 45 -10.870 -2.820 4.295 349 HG22 ILE 45 HG22 ILE 45 -12.406 -2.346 3.573 350 HG23 ILE 45 HG23 ILE 45 -11.916 -1.670 5.126 351 HD11 ILE 45 HD11 ILE 45 -9.239 1.875 4.730 352 HD12 ILE 45 HD12 ILE 45 -10.673 1.772 3.711 353 HD13 ILE 45 HD13 ILE 45 -9.099 1.304 3.069 354 H ALA 46 H ALA 46 -11.736 -0.950 0.375 355 HA ALA 46 HA ALA 46 -13.235 -3.382 0.484 356 HB1 ALA 46 HB1 ALA 46 -14.536 -2.386 -1.076 357 HB2 ALA 46 HB2 ALA 46 -13.166 -2.034 -2.129 358 HB3 ALA 46 HB3 ALA 46 -13.531 -0.969 -0.773 359 H TRP 47 H TRP 47 -10.713 -2.383 -1.887 360 HA TRP 47 HA TRP 47 -10.797 -5.040 -3.119 361 HB2 TRP 47 HB3 TRP 47 -9.879 -3.876 -4.814 362 HB3 TRP 47 HB2 TRP 47 -9.657 -2.475 -3.763 363 HD1 TRP 47 HD1 TRP 47 -7.907 -5.833 -4.542 364 HE1 TRP 47 HE1 TRP 47 -5.372 -5.519 -4.171 365 HE3 TRP 47 HE3 TRP 47 -7.868 -1.026 -2.908 366 HZ2 TRP 47 HZ2 TRP 47 -3.568 -3.473 -3.287 367 HZ3 TRP 47 HZ3 TRP 47 -5.741 0.099 -2.302 368 HH2 TRP 47 HH2 TRP 47 -3.588 -1.120 -2.495 369 H LEU 48 H LEU 48 -8.541 -3.266 -1.021 370 HA LEU 48 HA LEU 48 -6.508 -5.230 -0.908 371 HB2 LEU 48 HB3 LEU 48 -6.361 -2.893 0.000 372 HB3 LEU 48 HB2 LEU 48 -7.392 -3.391 1.335 373 HG LEU 48 HG LEU 48 -5.643 -5.255 1.721 374 HD11 LEU 48 HD11 LEU 48 -4.548 -4.121 -0.588 375 HD12 LEU 48 HD12 LEU 48 -3.753 -5.265 0.489 376 HD13 LEU 48 HD13 LEU 48 -3.523 -3.532 0.719 377 HD21 LEU 48 HD21 LEU 48 -5.645 -2.402 2.421 378 HD22 LEU 48 HD22 LEU 48 -4.069 -3.169 2.611 379 HD23 LEU 48 HD23 LEU 48 -5.471 -3.813 3.465 380 H GLU 49 H GLU 49 -9.426 -4.858 1.120 381 HA GLU 49 HA GLU 49 -8.774 -7.140 2.775 382 HB2 GLU 49 HB3 GLU 49 -10.914 -6.821 3.761 383 HB3 GLU 49 HB2 GLU 49 -10.342 -5.205 3.366 384 HG2 GLU 49 HG3 GLU 49 -12.479 -5.110 2.481 385 HG3 GLU 49 HG2 GLU 49 -11.580 -5.695 1.083 386 H ASP 50 H ASP 50 -10.688 -6.663 -0.159 387 HA ASP 50 HA ASP 50 -11.980 -9.193 -0.216 388 HB2 ASP 50 HB3 ASP 50 -12.496 -7.239 -1.691 389 HB3 ASP 50 HB2 ASP 50 -11.020 -7.593 -2.587 390 H ARG 51 H ARG 51 -8.785 -8.229 -1.438 391 HA ARG 51 HA ARG 51 -8.210 -10.632 -2.831 392 HB2 ARG 51 HB3 ARG 51 -6.379 -8.639 -1.509 393 HB3 ARG 51 HB2 ARG 51 -5.822 -9.935 -2.562 394 HG2 ARG 51 HG3 ARG 51 -7.358 -9.062 -4.344 395 HG3 ARG 51 HG2 ARG 51 -7.713 -7.693 -3.293 396 HD2 ARG 51 HD3 ARG 51 -4.992 -8.458 -4.386 397 HD3 ARG 51 HD2 ARG 51 -5.957 -7.062 -4.867 398 HE ARG 51 HE ARG 51 -5.668 -6.661 -2.175 399 HH11 ARG 51 HH22 ARG 51 -3.513 -7.485 -4.738 400 HH12 ARG 51 HH21 ARG 51 -2.147 -6.698 -4.020 401 HH21 ARG 51 HH11 ARG 51 -3.895 -5.629 -1.225 402 HH22 ARG 51 HH12 ARG 51 -2.363 -5.647 -2.032 403 H PHE 52 H PHE 52 -7.709 -9.836 0.612 404 HA PHE 52 HA PHE 52 -6.446 -12.487 0.969 405 HB2 PHE 52 HB3 PHE 52 -6.796 -10.114 2.816 406 HB3 PHE 52 HB2 PHE 52 -6.081 -11.646 3.317 407 HD1 PHE 52 HD2 PHE 52 -5.709 -8.734 1.071 408 HD2 PHE 52 HD1 PHE 52 -3.893 -12.333 2.553 409 HE1 PHE 52 HE2 PHE 52 -3.549 -8.064 0.052 410 HE2 PHE 52 HE1 PHE 52 -1.735 -11.666 1.531 411 HZ PHE 52 HZ PHE 52 -1.562 -9.530 0.280 412 H GLY 53 H GLY 53 -9.545 -11.217 1.029 413 HA2 GLY 53 HA3 GLY 53 -11.564 -12.215 1.691 414 HA3 GLY 53 HA2 GLY 53 -10.633 -13.646 2.140 415 H ILE 54 H ILE 54 -9.864 -10.476 3.397 416 HA ILE 54 HA ILE 54 -10.672 -11.466 6.088 417 HB ILE 54 HB ILE 54 -9.033 -9.864 6.970 418 HG12 ILE 54 HG13 ILE 54 -8.587 -9.202 4.041 419 HG13 ILE 54 HG12 ILE 54 -9.294 -8.126 5.247 420 HG21 ILE 54 HG21 ILE 54 -8.289 -12.136 6.288 421 HG22 ILE 54 HG22 ILE 54 -7.010 -10.938 6.091 422 HG23 ILE 54 HG23 ILE 54 -7.906 -11.510 4.684 423 HD11 ILE 54 HD11 ILE 54 -7.182 -8.255 6.557 424 HD12 ILE 54 HD12 ILE 54 -6.930 -7.580 4.946 425 HD13 ILE 54 HD13 ILE 54 -6.480 -9.252 5.282 426 H ALA 55 H ALA 55 -11.778 -10.000 7.513 427 HA ALA 55 HA ALA 55 -13.322 -7.917 6.038 428 HB1 ALA 55 HB1 ALA 55 -14.099 -9.973 7.821 429 HB2 ALA 55 HB2 ALA 55 -15.121 -8.711 7.133 430 HB3 ALA 55 HB3 ALA 55 -14.327 -8.454 8.687 431 H ALA 56 H ALA 56 -13.676 -5.857 7.086 432 HA ALA 56 HA ALA 56 -11.358 -4.723 8.282 433 HB1 ALA 56 HB1 ALA 56 -13.901 -3.807 7.398 434 HB2 ALA 56 HB2 ALA 56 -12.497 -2.833 7.832 435 HB3 ALA 56 HB3 ALA 56 -13.698 -3.243 9.056 436 H ASP 57 H ASP 57 -13.983 -6.514 9.639 437 HA ASP 57 HA ASP 57 -14.432 -7.216 11.808 438 HB2 ASP 57 HB3 ASP 57 -11.973 -7.746 11.730 439 HB3 ASP 57 HB2 ASP 57 -11.678 -6.168 12.450 440 H ASP 58 H ASP 58 -15.223 -4.590 10.968 441 HA ASP 58 HA ASP 58 -16.029 -2.591 11.883 442 HB2 ASP 58 HB3 ASP 58 -15.930 -4.385 14.300 443 HB3 ASP 58 HB2 ASP 58 -16.696 -2.797 14.307 444 H VAL 59 H VAL 59 -13.307 -2.433 11.480 445 HA VAL 59 HA VAL 59 -12.413 -0.920 13.904 446 HB VAL 59 HB VAL 59 -11.170 -3.109 13.541 447 HG11 VAL 59 HG11 VAL 59 -10.027 -3.529 11.604 448 HG12 VAL 59 HG12 VAL 59 -9.628 -1.830 11.352 449 HG13 VAL 59 HG13 VAL 59 -11.225 -2.433 10.914 450 HG21 VAL 59 HG21 VAL 59 -9.722 -1.888 14.779 451 HG22 VAL 59 HG22 VAL 59 -10.109 -0.409 13.901 452 HG23 VAL 59 HG23 VAL 59 -8.897 -1.521 13.265 453 H GLU 60 H GLU 60 -11.454 1.084 13.461 454 HA GLU 60 HA GLU 60 -11.743 1.999 10.647 455 HB2 GLU 60 HB3 GLU 60 -12.854 3.293 12.483 456 HB3 GLU 60 HB2 GLU 60 -11.263 3.643 13.146 457 HG2 GLU 60 HG3 GLU 60 -10.632 4.684 10.981 458 HG3 GLU 60 HG2 GLU 60 -12.274 4.418 10.408 459 H LEU 61 H LEU 61 -9.970 2.529 9.438 460 HA LEU 61 HA LEU 61 -7.314 2.105 10.651 461 HB2 LEU 61 HB3 LEU 61 -8.080 2.638 7.767 462 HB3 LEU 61 HB2 LEU 61 -6.517 2.084 8.350 463 HG LEU 61 HG LEU 61 -9.128 0.583 8.560 464 HD11 LEU 61 HD11 LEU 61 -8.207 0.499 6.315 465 HD12 LEU 61 HD12 LEU 61 -7.908 -1.052 7.099 466 HD13 LEU 61 HD13 LEU 61 -6.604 0.125 6.949 467 HD21 LEU 61 HD21 LEU 61 -7.371 -1.243 9.302 468 HD22 LEU 61 HD22 LEU 61 -7.993 -0.092 10.483 469 HD23 LEU 61 HD23 LEU 61 -6.407 0.162 9.755 470 H SER 62 H SER 62 -5.722 3.751 10.699 471 HA SER 62 HA SER 62 -6.809 6.484 10.533 472 HB2 SER 62 HB3 SER 62 -5.406 6.867 12.256 473 HB3 SER 62 HB2 SER 62 -4.893 5.183 12.181 474 HG SER 62 HG SER 62 -3.099 6.463 11.867 475 HA PRO 63 HA PRO 63 -5.072 7.406 6.592 476 HB2 PRO 63 HB2 PRO 63 -3.990 9.933 7.132 477 HB3 PRO 63 HB3 PRO 63 -5.666 9.606 6.655 478 HG2 PRO 63 HG3 PRO 63 -4.527 10.117 9.345 479 HG3 PRO 63 HG2 PRO 63 -6.105 10.566 8.676 480 HD2 PRO 63 HD3 PRO 63 -5.817 8.524 10.429 481 HD3 PRO 63 HD2 PRO 63 -7.043 8.492 9.140 482 H GLU 64 H GLU 64 -3.079 7.479 9.441 483 HA GLU 64 HA GLU 64 -0.547 7.945 8.175 484 HB2 GLU 64 HB3 GLU 64 -1.229 6.496 10.738 485 HB3 GLU 64 HB2 GLU 64 0.386 6.993 10.266 486 HG2 GLU 64 HG3 GLU 64 -0.399 9.343 10.170 487 HG3 GLU 64 HG2 GLU 64 -1.974 8.810 10.748 488 H HIS 65 H HIS 65 -2.531 5.099 8.685 489 HA HIS 65 HA HIS 65 -0.509 3.168 8.065 490 HB2 HIS 65 HB3 HIS 65 -2.493 2.331 9.075 491 HB3 HIS 65 HB2 HIS 65 -3.522 3.132 7.885 492 HD1 HIS 65 HD1 HIS 65 -4.602 1.068 6.854 493 HD2 HIS 65 HD2 HIS 65 -0.435 0.867 6.873 494 HE1 HIS 65 HE1 HIS 65 -3.973 -0.932 5.429 495 HE2 HIS 65 HE2 HIS 65 -1.441 -1.056 5.431 496 H PHE 66 H PHE 66 -2.316 5.388 6.191 497 HA PHE 66 HA PHE 66 -1.764 3.958 3.666 498 HB2 PHE 66 HB3 PHE 66 -3.151 6.620 4.076 499 HB3 PHE 66 HB2 PHE 66 -3.180 5.615 2.633 500 HD1 PHE 66 HD2 PHE 66 -4.012 5.445 6.289 501 HD2 PHE 66 HD1 PHE 66 -4.928 4.111 2.310 502 HE1 PHE 66 HE2 PHE 66 -5.991 4.230 7.155 503 HE2 PHE 66 HE1 PHE 66 -6.908 2.896 3.179 504 HZ PHE 66 HZ PHE 66 -7.434 2.964 5.602 505 H ARG 67 H ARG 67 0.131 5.497 5.598 506 HA ARG 67 HA ARG 67 1.185 7.813 4.517 507 HB2 ARG 67 HB3 ARG 67 3.337 7.090 5.471 508 HB3 ARG 67 HB2 ARG 67 2.010 6.716 6.566 509 HG2 ARG 67 HG3 ARG 67 2.100 4.447 5.043 510 HG3 ARG 67 HG2 ARG 67 3.802 4.895 5.088 511 HD2 ARG 67 HD3 ARG 67 3.303 5.234 7.674 512 HD3 ARG 67 HD2 ARG 67 1.985 4.118 7.335 513 HE ARG 67 HE ARG 67 4.474 3.121 6.264 514 HH11 ARG 67 HH22 ARG 67 2.608 3.599 9.124 515 HH12 ARG 67 HH21 ARG 67 3.304 2.255 9.965 516 HH21 ARG 67 HH11 ARG 67 5.393 1.356 7.350 517 HH22 ARG 67 HH12 ARG 67 4.880 0.986 8.961 518 H SER 68 H SER 68 1.689 4.491 3.325 519 HA SER 68 HA SER 68 2.441 5.574 0.712 520 HB2 SER 68 HB3 SER 68 4.585 5.698 1.918 521 HB3 SER 68 HB2 SER 68 4.454 3.995 2.338 522 HG SER 68 HG SER 68 4.443 3.551 0.077 523 H ILE 69 H ILE 69 2.504 3.898 -0.932 524 HA ILE 69 HA ILE 69 0.607 1.828 -0.608 525 HB ILE 69 HB ILE 69 2.875 1.603 -2.572 526 HG12 ILE 69 HG13 ILE 69 1.082 3.143 -3.904 527 HG13 ILE 69 HG12 ILE 69 0.912 3.804 -2.280 528 HG21 ILE 69 HG21 ILE 69 1.066 -0.100 -2.491 529 HG22 ILE 69 HG22 ILE 69 1.084 0.784 -4.017 530 HG23 ILE 69 HG23 ILE 69 -0.115 1.176 -2.784 531 HD11 ILE 69 HD11 ILE 69 3.568 3.744 -2.344 532 HD12 ILE 69 HD12 ILE 69 2.679 5.091 -3.050 533 HD13 ILE 69 HD13 ILE 69 3.297 3.807 -4.084 534 H ARG 70 H ARG 70 4.149 1.775 -0.384 535 HA ARG 70 HA ARG 70 4.492 -1.018 -0.043 536 HB2 ARG 70 HB3 ARG 70 6.613 -0.393 1.113 537 HB3 ARG 70 HB2 ARG 70 6.387 0.496 -0.396 538 HG2 ARG 70 HG3 ARG 70 5.239 2.285 1.088 539 HG3 ARG 70 HG2 ARG 70 6.038 1.475 2.432 540 HD2 ARG 70 HD3 ARG 70 7.502 2.455 -0.032 541 HD3 ARG 70 HD2 ARG 70 7.341 3.407 1.444 542 HE ARG 70 HE ARG 70 8.410 0.759 1.972 543 HH11 ARG 70 HH22 ARG 70 9.092 3.949 0.858 544 HH12 ARG 70 HH21 ARG 70 10.761 3.896 1.315 545 HH21 ARG 70 HH11 ARG 70 10.587 0.671 2.576 546 HH22 ARG 70 HH12 ARG 70 11.609 2.040 2.288 547 H SER 71 H SER 71 3.811 1.539 2.326 548 HA SER 71 HA SER 71 3.928 -0.128 4.648 549 HB2 SER 71 HB3 SER 71 3.873 2.377 4.690 550 HB3 SER 71 HB2 SER 71 2.180 2.313 4.208 551 HG SER 71 HG SER 71 1.689 1.863 6.195 552 H ILE 72 H ILE 72 1.260 0.689 2.433 553 HA ILE 72 HA ILE 72 -0.822 -0.600 3.862 554 HB ILE 72 HB ILE 72 -0.456 -0.284 0.869 555 HG12 ILE 72 HG13 ILE 72 -1.962 1.440 2.864 556 HG13 ILE 72 HG12 ILE 72 -0.371 1.834 2.212 557 HG21 ILE 72 HG21 ILE 72 -3.155 -0.189 1.499 558 HG22 ILE 72 HG22 ILE 72 -2.538 -1.475 2.533 559 HG23 ILE 72 HG23 ILE 72 -2.311 -1.564 0.787 560 HD11 ILE 72 HD11 ILE 72 -1.717 2.988 0.719 561 HD12 ILE 72 HD12 ILE 72 -3.031 1.818 0.838 562 HD13 ILE 72 HD13 ILE 72 -1.593 1.438 -0.111 563 H ASP 73 H ASP 73 1.281 -1.846 1.255 564 HA ASP 73 HA ASP 73 0.240 -4.493 1.227 565 HB2 ASP 73 HB3 ASP 73 1.922 -3.365 -0.394 566 HB3 ASP 73 HB2 ASP 73 3.153 -3.846 0.771 567 H ALA 74 H ALA 74 2.803 -2.996 3.155 568 HA ALA 74 HA ALA 74 3.641 -5.388 4.494 569 HB1 ALA 74 HB1 ALA 74 4.501 -2.770 4.405 570 HB2 ALA 74 HB2 ALA 74 5.133 -4.007 5.491 571 HB3 ALA 74 HB3 ALA 74 3.870 -2.907 6.047 572 H PHE 75 H PHE 75 1.165 -2.957 5.248 573 HA PHE 75 HA PHE 75 0.573 -3.845 7.885 574 HB2 PHE 75 HB3 PHE 75 -0.290 -1.735 6.851 575 HB3 PHE 75 HB2 PHE 75 -1.387 -2.717 5.884 576 HD1 PHE 75 HD1 PHE 75 -0.523 -1.668 9.326 577 HD2 PHE 75 HD2 PHE 75 -3.334 -3.761 6.844 578 HE1 PHE 75 HE1 PHE 75 -2.128 -1.750 11.214 579 HE2 PHE 75 HE2 PHE 75 -4.940 -3.843 8.732 580 HZ PHE 75 HZ PHE 75 -4.337 -2.837 10.917 581 H VAL 76 H VAL 76 -0.893 -4.816 4.765 582 HA VAL 76 HA VAL 76 -2.716 -6.713 5.875 583 HB VAL 76 HB VAL 76 -1.344 -6.684 3.172 584 HG11 VAL 76 HG11 VAL 76 -2.309 -8.718 3.001 585 HG12 VAL 76 HG12 VAL 76 -3.834 -7.837 2.910 586 HG13 VAL 76 HG13 VAL 76 -3.275 -8.474 4.455 587 HG21 VAL 76 HG21 VAL 76 -3.120 -4.845 4.286 588 HG22 VAL 76 HG22 VAL 76 -4.157 -5.907 3.332 589 HG23 VAL 76 HG23 VAL 76 -2.807 -5.070 2.564 590 H VAL 77 H VAL 77 0.590 -7.087 4.586 591 HA VAL 77 HA VAL 77 0.769 -9.903 5.095 592 HB VAL 77 HB VAL 77 2.881 -7.749 4.805 593 HG11 VAL 77 HG11 VAL 77 3.984 -9.487 5.949 594 HG12 VAL 77 HG12 VAL 77 4.309 -9.835 4.250 595 HG13 VAL 77 HG13 VAL 77 3.065 -10.738 5.114 596 HG21 VAL 77 HG21 VAL 77 2.876 -9.608 2.671 597 HG22 VAL 77 HG22 VAL 77 2.362 -7.922 2.619 598 HG23 VAL 77 HG23 VAL 77 1.187 -9.191 2.963 599 H GLY 78 H GLY 78 1.648 -7.022 6.962 600 HA2 GLY 78 HA3 GLY 78 2.971 -8.312 9.112 601 HA3 GLY 78 HA2 GLY 78 2.141 -6.764 9.235 602 H ALA 79 H ALA 79 -0.480 -7.694 8.545 603 HA ALA 79 HA ALA 79 -1.351 -8.606 11.135 604 HB1 ALA 79 HB1 ALA 79 -3.244 -8.995 8.920 605 HB2 ALA 79 HB2 ALA 79 -2.561 -7.371 8.995 606 HB3 ALA 79 HB3 ALA 79 -3.413 -8.033 10.390 607 H THR 80 H THR 80 -1.009 -10.248 7.995 608 HA THR 80 HA THR 80 -2.001 -12.772 9.100 609 HB THR 80 HB THR 80 -1.551 -13.683 6.893 610 HG1 THR 80 HG1 THR 80 0.461 -12.642 6.592 611 HG21 THR 80 HG21 THR 80 -2.791 -12.015 5.486 612 HG22 THR 80 HG22 THR 80 -2.633 -10.854 6.804 613 HG23 THR 80 HG23 THR 80 -3.562 -12.335 7.039 614 H THR 81 H THR 81 1.083 -11.245 8.479 615 HA THR 81 HA THR 81 2.398 -13.545 9.822 616 HB THR 81 HB THR 81 4.362 -12.672 8.184 617 HG1 THR 81 HG1 THR 81 3.493 -12.163 6.215 618 HG21 THR 81 HG21 THR 81 2.201 -14.661 7.450 619 HG22 THR 81 HG22 THR 81 3.602 -15.002 8.466 620 HG23 THR 81 HG23 THR 81 3.824 -14.609 6.761 621 HA PRO 82 HA PRO 82 4.149 -10.474 12.448 622 HB2 PRO 82 HB2 PRO 82 6.714 -11.476 12.804 623 HB3 PRO 82 HB3 PRO 82 5.280 -12.036 13.680 624 HG2 PRO 82 HG3 PRO 82 6.666 -13.243 11.350 625 HG3 PRO 82 HG2 PRO 82 5.863 -14.025 12.722 626 HD2 PRO 82 HD3 PRO 82 4.718 -13.862 10.250 627 HD3 PRO 82 HD2 PRO 82 3.765 -13.885 11.751 628 HA PRO 83 HA PRO 83 6.237 -7.778 9.531 629 HB2 PRO 83 HB2 PRO 83 7.026 -5.817 11.321 630 HB3 PRO 83 HB3 PRO 83 5.440 -5.913 10.544 631 HG2 PRO 83 HG3 PRO 83 6.249 -6.638 13.289 632 HG3 PRO 83 HG2 PRO 83 4.695 -6.044 12.685 633 HD2 PRO 83 HD3 PRO 83 5.184 -8.673 13.365 634 HD3 PRO 83 HD2 PRO 83 3.921 -8.158 12.227 635 H VAL 84 H VAL 84 8.342 -7.319 8.863 636 HA VAL 84 HA VAL 84 10.490 -8.528 10.545 637 HB VAL 84 HB VAL 84 10.541 -7.812 7.598 638 HG11 VAL 84 HG11 VAL 84 12.768 -7.862 8.534 639 HG12 VAL 84 HG12 VAL 84 12.530 -9.365 7.644 640 HG13 VAL 84 HG13 VAL 84 12.422 -9.357 9.404 641 HG21 VAL 84 HG21 VAL 84 8.957 -9.579 7.838 642 HG22 VAL 84 HG22 VAL 84 9.928 -10.382 9.072 643 HG23 VAL 84 HG23 VAL 84 10.468 -10.372 7.393 644 H GLU 85 H GLU 85 11.928 -7.179 11.499 645 HA GLU 85 HA GLU 85 12.802 -5.091 12.201 646 HB2 GLU 85 HB3 GLU 85 13.363 -5.090 9.220 647 HB3 GLU 85 HB2 GLU 85 14.182 -4.074 10.406 648 HG2 GLU 85 HG3 GLU 85 14.940 -6.119 11.601 649 HG3 GLU 85 HG2 GLU 85 14.181 -7.105 10.352 650 H ALA 86 H ALA 86 9.912 -5.051 11.169 651 HA ALA 86 HA ALA 86 8.287 -3.438 10.631 652 HB1 ALA 86 HB1 ALA 86 9.269 -2.581 12.810 653 HB2 ALA 86 HB2 ALA 86 8.529 -1.346 11.792 654 HB3 ALA 86 HB3 ALA 86 10.284 -1.510 11.844 655 H LYS 87 H LYS 87 8.048 -1.162 9.498 656 HA LYS 87 HA LYS 87 9.196 -1.349 6.903 657 HB2 LYS 87 HB3 LYS 87 7.114 -0.082 7.432 658 HB3 LYS 87 HB2 LYS 87 8.094 1.136 8.252 659 HG2 LYS 87 HG3 LYS 87 9.339 1.529 6.138 660 HG3 LYS 87 HG2 LYS 87 8.296 0.361 5.326 661 HD2 LYS 87 HD3 LYS 87 6.320 1.748 5.923 662 HD3 LYS 87 HD2 LYS 87 7.399 2.938 6.651 663 HE2 LYS 87 HE3 LYS 87 8.108 2.146 3.895 664 HE3 LYS 87 HE2 LYS 87 6.579 3.013 4.045 665 HZ1 LYS 87 HZ1 LYS 87 8.171 4.441 5.653 666 HZ2 LYS 87 HZ2 LYS 87 7.893 4.809 4.022 667 HZ3 LYS 87 HZ3 LYS 87 9.285 3.944 4.469 668 H LEU 88 H LEU 88 10.186 0.506 9.759 669 HA LEU 88 HA LEU 88 12.484 1.623 8.256 670 HB2 LEU 88 HB3 LEU 88 11.685 2.052 11.151 671 HB3 LEU 88 HB2 LEU 88 12.871 2.985 10.238 672 HG LEU 88 HG LEU 88 9.898 2.813 9.670 673 HD11 LEU 88 HD11 LEU 88 9.796 4.547 11.106 674 HD12 LEU 88 HD12 LEU 88 10.773 5.471 9.966 675 HD13 LEU 88 HD13 LEU 88 11.551 4.574 11.271 676 HD21 LEU 88 HD21 LEU 88 10.834 3.038 7.537 677 HD22 LEU 88 HD22 LEU 88 12.226 3.940 8.136 678 HD23 LEU 88 HD23 LEU 88 10.649 4.723 8.025 679 H GLN 89 H GLN 89 14.617 1.030 8.689 680 HA GLN 89 HA GLN 89 15.157 -1.591 9.614 681 HB2 GLN 89 HB3 GLN 89 16.997 0.819 9.488 682 HB3 GLN 89 HB2 GLN 89 17.537 -0.846 9.711 683 HG2 GLN 89 HG3 GLN 89 16.545 -1.480 7.557 684 HG3 GLN 89 HG2 GLN 89 15.947 0.165 7.335 685 HE21 GLN 89 HE22 GLN 89 17.748 -0.981 5.443 686 HE22 GLN 89 HE21 GLN 89 19.235 -0.169 5.549 Start of MODEL 18 1 H1 SER -1 H1 SER -1 13.432 0.126 -3.946 2 H2 SER -1 H2 SER -1 11.758 0.081 -4.238 3 H3 SER -1 H3 SER -1 12.851 -0.296 -5.484 4 HA SER -1 HA SER -1 13.249 -2.377 -4.734 5 HB2 SER -1 HB3 SER -1 13.367 -2.975 -2.417 6 HB3 SER -1 HB2 SER -1 14.113 -1.386 -2.550 7 HG SER -1 HG SER -1 12.669 -1.307 -0.867 8 H GLU 0 H GLU 0 11.778 -4.106 -4.713 9 HA GLU 0 HA GLU 0 8.910 -3.310 -4.447 10 HB2 GLU 0 HB3 GLU 0 10.162 -5.605 -5.988 11 HB3 GLU 0 HB2 GLU 0 8.439 -5.231 -5.931 12 HG2 GLU 0 HG3 GLU 0 8.920 -2.988 -6.893 13 HG3 GLU 0 HG2 GLU 0 10.623 -3.429 -7.017 14 H MET 1 H MET 1 7.466 -4.858 -3.412 15 HA MET 1 HA MET 1 8.868 -6.485 -1.359 16 HB2 MET 1 HB3 MET 1 5.997 -5.490 -1.506 17 HB3 MET 1 HB2 MET 1 6.702 -6.391 -0.159 18 HG2 MET 1 HG3 MET 1 8.442 -4.559 0.024 19 HG3 MET 1 HG2 MET 1 7.494 -3.640 -1.141 20 HE1 MET 1 HE1 MET 1 5.930 -5.737 2.341 21 HE2 MET 1 HE2 MET 1 7.065 -4.618 3.109 22 HE3 MET 1 HE3 MET 1 7.611 -5.683 1.816 23 H GLN 2 H GLN 2 5.772 -7.464 -1.410 24 HA GLN 2 HA GLN 2 6.406 -9.812 -3.145 25 HB2 GLN 2 HB3 GLN 2 4.313 -9.521 -0.963 26 HB3 GLN 2 HB2 GLN 2 4.667 -10.996 -1.864 27 HG2 GLN 2 HG3 GLN 2 6.625 -9.505 -0.094 28 HG3 GLN 2 HG2 GLN 2 5.803 -11.006 0.329 29 HE21 GLN 2 HE22 GLN 2 8.771 -10.076 -0.528 30 HE22 GLN 2 HE21 GLN 2 9.245 -11.361 -1.531 31 H HIS 3 H HIS 3 3.412 -8.200 -2.083 32 HA HIS 3 HA HIS 3 2.427 -8.355 -4.892 33 HB2 HIS 3 HB3 HIS 3 0.906 -7.832 -2.315 34 HB3 HIS 3 HB2 HIS 3 0.191 -8.021 -3.916 35 HD1 HIS 3 HD1 HIS 3 0.817 -10.440 -5.106 36 HD2 HIS 3 HD2 HIS 3 1.138 -10.227 -0.953 37 HE1 HIS 3 HE1 HIS 3 0.824 -12.830 -4.264 38 HE2 HIS 3 HE2 HIS 3 1.021 -12.712 -1.738 39 H ALA 4 H ALA 4 4.266 -6.338 -3.403 40 HA ALA 4 HA ALA 4 2.992 -3.859 -3.075 41 HB1 ALA 4 HB1 ALA 4 5.733 -4.775 -3.662 42 HB2 ALA 4 HB2 ALA 4 5.169 -3.595 -2.478 43 HB3 ALA 4 HB3 ALA 4 5.386 -3.121 -4.163 44 H SER 5 H SER 5 4.269 -5.332 -6.059 45 HA SER 5 HA SER 5 3.746 -3.116 -7.776 46 HB2 SER 5 HB3 SER 5 3.679 -6.061 -8.485 47 HB3 SER 5 HB2 SER 5 3.904 -4.722 -9.608 48 HG SER 5 HG SER 5 5.596 -5.005 -7.379 49 H VAL 6 H VAL 6 1.700 -5.818 -6.737 50 HA VAL 6 HA VAL 6 -0.484 -5.279 -8.503 51 HB VAL 6 HB VAL 6 -0.379 -6.590 -5.787 52 HG11 VAL 6 HG11 VAL 6 -2.629 -5.888 -5.976 53 HG12 VAL 6 HG12 VAL 6 -2.644 -7.538 -6.598 54 HG13 VAL 6 HG13 VAL 6 -2.659 -6.173 -7.716 55 HG21 VAL 6 HG21 VAL 6 -0.781 -8.633 -7.259 56 HG22 VAL 6 HG22 VAL 6 0.800 -7.871 -7.437 57 HG23 VAL 6 HG23 VAL 6 -0.457 -7.589 -8.643 58 H ILE 7 H ILE 7 0.169 -4.208 -5.177 59 HA ILE 7 HA ILE 7 -2.222 -2.714 -4.797 60 HB ILE 7 HB ILE 7 0.554 -2.139 -3.719 61 HG12 ILE 7 HG13 ILE 7 -1.700 -3.722 -2.453 62 HG13 ILE 7 HG12 ILE 7 -0.368 -4.471 -3.334 63 HG21 ILE 7 HG21 ILE 7 -2.194 -1.384 -2.674 64 HG22 ILE 7 HG22 ILE 7 -1.057 -0.275 -3.442 65 HG23 ILE 7 HG23 ILE 7 -0.656 -1.016 -1.894 66 HD11 ILE 7 HD11 ILE 7 -0.416 -3.500 -0.615 67 HD12 ILE 7 HD12 ILE 7 0.824 -2.649 -1.535 68 HD13 ILE 7 HD13 ILE 7 0.846 -4.410 -1.444 69 H ALA 8 H ALA 8 0.918 -1.785 -6.172 70 HA ALA 8 HA ALA 8 0.346 0.972 -6.562 71 HB1 ALA 8 HB1 ALA 8 2.535 -0.534 -6.939 72 HB2 ALA 8 HB2 ALA 8 2.326 1.029 -7.731 73 HB3 ALA 8 HB3 ALA 8 1.971 -0.459 -8.609 74 H GLN 9 H GLN 9 -0.367 -1.887 -8.527 75 HA GLN 9 HA GLN 9 -1.313 -0.478 -10.836 76 HB2 GLN 9 HB3 GLN 9 -0.742 -2.922 -10.762 77 HB3 GLN 9 HB2 GLN 9 -2.224 -3.191 -9.843 78 HG2 GLN 9 HG3 GLN 9 -3.527 -2.173 -11.709 79 HG3 GLN 9 HG2 GLN 9 -2.034 -2.024 -12.635 80 HE21 GLN 9 HE22 GLN 9 -1.489 -4.772 -10.948 81 HE22 GLN 9 HE21 GLN 9 -2.141 -5.923 -12.012 82 H PHE 10 H PHE 10 -2.964 -1.622 -7.901 83 HA PHE 10 HA PHE 10 -5.615 -1.001 -8.745 84 HB2 PHE 10 HB3 PHE 10 -4.280 -1.334 -6.085 85 HB3 PHE 10 HB2 PHE 10 -5.915 -0.677 -6.140 86 HD1 PHE 10 HD1 PHE 10 -7.734 -1.996 -7.307 87 HD2 PHE 10 HD2 PHE 10 -3.874 -3.656 -6.422 88 HE1 PHE 10 HE1 PHE 10 -8.652 -4.282 -7.587 89 HE2 PHE 10 HE2 PHE 10 -4.791 -5.942 -6.705 90 HZ PHE 10 HZ PHE 10 -7.181 -6.255 -7.283 91 H VAL 11 H VAL 11 -3.334 0.984 -6.823 92 HA VAL 11 HA VAL 11 -5.091 3.236 -6.663 93 HB VAL 11 HB VAL 11 -2.991 4.523 -6.171 94 HG11 VAL 11 HG11 VAL 11 -3.305 3.773 -4.074 95 HG12 VAL 11 HG12 VAL 11 -2.451 2.280 -4.463 96 HG13 VAL 11 HG13 VAL 11 -4.191 2.393 -4.722 97 HG21 VAL 11 HG21 VAL 11 -1.733 1.832 -6.760 98 HG22 VAL 11 HG22 VAL 11 -0.894 3.176 -5.989 99 HG23 VAL 11 HG23 VAL 11 -1.461 3.328 -7.652 100 H VAL 12 H VAL 12 -2.589 2.329 -9.024 101 HA VAL 12 HA VAL 12 -2.726 4.740 -10.561 102 HB VAL 12 HB VAL 12 -1.999 1.917 -11.363 103 HG11 VAL 12 HG11 VAL 12 -2.639 3.167 -13.355 104 HG12 VAL 12 HG12 VAL 12 -0.882 3.028 -13.307 105 HG13 VAL 12 HG13 VAL 12 -1.658 4.540 -12.841 106 HG21 VAL 12 HG21 VAL 12 -0.694 3.810 -9.751 107 HG22 VAL 12 HG22 VAL 12 0.116 3.902 -11.314 108 HG23 VAL 12 HG23 VAL 12 0.021 2.363 -10.461 109 H GLU 13 H GLU 13 -4.435 1.617 -10.899 110 HA GLU 13 HA GLU 13 -6.000 2.470 -13.166 111 HB2 GLU 13 HB3 GLU 13 -6.391 0.247 -11.160 112 HB3 GLU 13 HB2 GLU 13 -7.391 0.465 -12.588 113 HG2 GLU 13 HG3 GLU 13 -5.369 0.313 -14.010 114 HG3 GLU 13 HG2 GLU 13 -4.403 0.020 -12.568 115 H GLU 14 H GLU 14 -6.381 2.717 -9.702 116 HA GLU 14 HA GLU 14 -9.183 3.268 -9.641 117 HB2 GLU 14 HB3 GLU 14 -7.777 2.705 -7.647 118 HB3 GLU 14 HB2 GLU 14 -7.065 4.317 -7.746 119 HG2 GLU 14 HG3 GLU 14 -9.352 5.298 -7.539 120 HG3 GLU 14 HG2 GLU 14 -9.999 3.671 -7.326 121 H PHE 15 H PHE 15 -6.403 5.338 -10.331 122 HA PHE 15 HA PHE 15 -8.346 7.549 -10.862 123 HB2 PHE 15 HB3 PHE 15 -7.107 7.935 -8.734 124 HB3 PHE 15 HB2 PHE 15 -5.596 7.889 -9.642 125 HD1 PHE 15 HD2 PHE 15 -8.873 9.663 -9.412 126 HD2 PHE 15 HD1 PHE 15 -4.803 9.805 -10.774 127 HE1 PHE 15 HE2 PHE 15 -9.156 12.054 -10.009 128 HE2 PHE 15 HE1 PHE 15 -5.086 12.194 -11.374 129 HZ PHE 15 HZ PHE 15 -7.262 13.320 -10.991 130 H LEU 16 H LEU 16 -5.023 6.381 -11.545 131 HA LEU 16 HA LEU 16 -5.253 7.743 -14.202 132 HB2 LEU 16 HB3 LEU 16 -3.028 7.461 -12.255 133 HB3 LEU 16 HB2 LEU 16 -2.606 7.357 -13.964 134 HG LEU 16 HG LEU 16 -4.408 9.560 -13.005 135 HD11 LEU 16 HD11 LEU 16 -2.466 10.974 -12.574 136 HD12 LEU 16 HD12 LEU 16 -1.375 9.651 -12.987 137 HD13 LEU 16 HD13 LEU 16 -2.380 9.547 -11.541 138 HD21 LEU 16 HD21 LEU 16 -3.894 10.536 -15.033 139 HD22 LEU 16 HD22 LEU 16 -3.658 8.846 -15.479 140 HD23 LEU 16 HD23 LEU 16 -2.269 9.853 -15.068 141 HA PRO 17 HA PRO 17 -4.927 3.196 -15.022 142 HB2 PRO 17 HB2 PRO 17 -6.915 3.088 -16.896 143 HB3 PRO 17 HB3 PRO 17 -7.202 2.910 -15.155 144 HG2 PRO 17 HG3 PRO 17 -7.703 5.223 -16.926 145 HG3 PRO 17 HG2 PRO 17 -8.572 4.693 -15.479 146 HD2 PRO 17 HD3 PRO 17 -6.743 6.798 -15.578 147 HD3 PRO 17 HD2 PRO 17 -7.270 5.968 -14.101 148 H ASP 18 H ASP 18 -4.698 6.054 -16.923 149 HA ASP 18 HA ASP 18 -3.796 4.636 -19.339 150 HB2 ASP 18 HB3 ASP 18 -4.025 7.565 -18.638 151 HB3 ASP 18 HB2 ASP 18 -3.447 6.974 -20.191 152 H VAL 19 H VAL 19 -2.397 5.161 -16.454 153 HA VAL 19 HA VAL 19 0.281 5.799 -17.631 154 HB VAL 19 HB VAL 19 -0.617 6.015 -14.742 155 HG11 VAL 19 HG11 VAL 19 1.767 5.632 -14.903 156 HG12 VAL 19 HG12 VAL 19 1.518 7.345 -14.568 157 HG13 VAL 19 HG13 VAL 19 1.916 6.816 -16.202 158 HG21 VAL 19 HG21 VAL 19 -1.765 7.692 -16.061 159 HG22 VAL 19 HG22 VAL 19 -0.281 8.095 -16.924 160 HG23 VAL 19 HG23 VAL 19 -0.440 8.489 -15.212 161 H ALA 20 H ALA 20 1.875 4.264 -17.460 162 HA ALA 20 HA ALA 20 1.152 1.586 -16.648 163 HB1 ALA 20 HB1 ALA 20 3.270 2.851 -18.095 164 HB2 ALA 20 HB2 ALA 20 2.871 1.135 -18.018 165 HB3 ALA 20 HB3 ALA 20 3.979 1.836 -16.840 166 HA PRO 21 HA PRO 21 1.970 2.401 -12.235 167 HB2 PRO 21 HB2 PRO 21 2.163 -0.568 -12.165 168 HB3 PRO 21 HB3 PRO 21 1.188 0.523 -11.163 169 HG2 PRO 21 HG3 PRO 21 0.129 -0.978 -13.118 170 HG3 PRO 21 HG2 PRO 21 -0.511 0.613 -12.676 171 HD2 PRO 21 HD3 PRO 21 1.031 -0.182 -15.086 172 HD3 PRO 21 HD2 PRO 21 -0.118 1.156 -14.861 173 H ALA 22 H ALA 22 3.882 0.401 -14.386 174 HA ALA 22 HA ALA 22 6.091 -0.106 -12.635 175 HB1 ALA 22 HB1 ALA 22 5.711 -1.276 -14.809 176 HB2 ALA 22 HB2 ALA 22 7.341 -0.617 -14.669 177 HB3 ALA 22 HB3 ALA 22 6.134 0.215 -15.650 178 H ASP 23 H ASP 23 5.084 2.731 -14.371 179 HA ASP 23 HA ASP 23 7.724 4.006 -14.220 180 HB2 ASP 23 HB3 ASP 23 6.611 5.948 -15.199 181 HB3 ASP 23 HB2 ASP 23 6.143 4.495 -16.082 182 H VAL 24 H VAL 24 5.669 3.228 -11.862 183 HA VAL 24 HA VAL 24 5.850 5.854 -10.447 184 HB VAL 24 HB VAL 24 4.342 3.393 -9.546 185 HG11 VAL 24 HG11 VAL 24 4.636 4.969 -7.778 186 HG12 VAL 24 HG12 VAL 24 2.997 5.222 -8.378 187 HG13 VAL 24 HG13 VAL 24 4.286 6.334 -8.840 188 HG21 VAL 24 HG21 VAL 24 2.329 4.480 -10.535 189 HG22 VAL 24 HG22 VAL 24 3.508 4.030 -11.767 190 HG23 VAL 24 HG23 VAL 24 3.368 5.712 -11.252 191 H ASP 25 H ASP 25 7.229 6.044 -8.707 192 HA ASP 25 HA ASP 25 8.902 3.697 -8.062 193 HB2 ASP 25 HB3 ASP 25 9.014 6.586 -7.140 194 HB3 ASP 25 HB2 ASP 25 10.177 5.344 -6.674 195 H VAL 26 H VAL 26 8.303 2.371 -6.415 196 HA VAL 26 HA VAL 26 6.165 3.100 -4.591 197 HB VAL 26 HB VAL 26 6.532 0.895 -3.631 198 HG11 VAL 26 HG11 VAL 26 6.959 0.830 -6.631 199 HG12 VAL 26 HG12 VAL 26 5.399 1.037 -5.835 200 HG13 VAL 26 HG13 VAL 26 6.289 -0.474 -5.651 201 HG21 VAL 26 HG21 VAL 26 8.581 -0.272 -5.075 202 HG22 VAL 26 HG22 VAL 26 8.708 0.291 -3.410 203 HG23 VAL 26 HG23 VAL 26 9.215 1.338 -4.735 204 H ASP 27 H ASP 27 9.264 4.146 -4.679 205 HA ASP 27 HA ASP 27 9.750 3.947 -1.764 206 HB2 ASP 27 HB3 ASP 27 11.932 4.920 -2.283 207 HB3 ASP 27 HB2 ASP 27 11.630 3.558 -3.355 208 H LEU 28 H LEU 28 7.964 5.844 -3.738 209 HA LEU 28 HA LEU 28 8.608 8.380 -2.316 210 HB2 LEU 28 HB3 LEU 28 8.377 8.438 -4.800 211 HB3 LEU 28 HB2 LEU 28 6.714 7.887 -4.635 212 HG LEU 28 HG LEU 28 6.258 9.890 -3.189 213 HD11 LEU 28 HD11 LEU 28 9.154 10.216 -3.626 214 HD12 LEU 28 HD12 LEU 28 8.129 10.862 -2.344 215 HD13 LEU 28 HD13 LEU 28 8.218 11.685 -3.901 216 HD21 LEU 28 HD21 LEU 28 6.026 11.405 -5.036 217 HD22 LEU 28 HD22 LEU 28 5.854 9.782 -5.702 218 HD23 LEU 28 HD23 LEU 28 7.371 10.659 -5.900 219 H ASP 29 H ASP 29 7.188 9.165 -0.771 220 HA ASP 29 HA ASP 29 5.265 7.431 0.368 221 HB2 ASP 29 HB3 ASP 29 5.476 10.455 0.519 222 HB3 ASP 29 HB2 ASP 29 4.412 9.489 1.540 223 H LEU 30 H LEU 30 3.265 6.907 -0.277 224 HA LEU 30 HA LEU 30 2.152 7.862 -2.728 225 HB2 LEU 30 HB3 LEU 30 1.720 5.611 -1.725 226 HB3 LEU 30 HB2 LEU 30 0.743 6.393 -0.485 227 HG LEU 30 HG LEU 30 -0.722 7.330 -2.259 228 HD11 LEU 30 HD11 LEU 30 0.359 7.490 -4.269 229 HD12 LEU 30 HD12 LEU 30 -0.279 5.863 -4.505 230 HD13 LEU 30 HD13 LEU 30 1.379 6.089 -3.945 231 HD21 LEU 30 HD21 LEU 30 -0.669 4.442 -2.939 232 HD22 LEU 30 HD22 LEU 30 -1.991 5.422 -2.303 233 HD23 LEU 30 HD23 LEU 30 -0.741 4.814 -1.217 234 H VAL 31 H VAL 31 1.471 8.681 0.659 235 HA VAL 31 HA VAL 31 -0.848 10.269 0.079 236 HB VAL 31 HB VAL 31 1.060 10.287 2.419 237 HG11 VAL 31 HG11 VAL 31 -1.158 12.099 1.654 238 HG12 VAL 31 HG12 VAL 31 0.198 12.381 2.747 239 HG13 VAL 31 HG13 VAL 31 -1.218 11.490 3.309 240 HG21 VAL 31 HG21 VAL 31 -0.395 8.281 2.037 241 HG22 VAL 31 HG22 VAL 31 -1.805 9.337 2.104 242 HG23 VAL 31 HG23 VAL 31 -0.789 9.135 3.530 243 H ASP 32 H ASP 32 2.603 11.089 0.258 244 HA ASP 32 HA ASP 32 2.382 13.899 0.215 245 HB2 ASP 32 HB3 ASP 32 4.379 12.079 -1.163 246 HB3 ASP 32 HB2 ASP 32 4.544 13.834 -1.120 247 H ASN 33 H ASN 33 1.898 11.528 -2.314 248 HA ASN 33 HA ASN 33 1.713 13.402 -4.501 249 HB2 ASN 33 HB3 ASN 33 0.715 10.585 -4.104 250 HB3 ASN 33 HB2 ASN 33 0.530 11.460 -5.619 251 HD21 ASN 33 HD22 ASN 33 3.025 12.815 -5.729 252 HD22 ASN 33 HD21 ASN 33 4.270 11.668 -5.864 253 H GLY 34 H GLY 34 -0.580 12.070 -2.176 254 HA2 GLY 34 HA3 GLY 34 -2.635 13.147 -1.543 255 HA3 GLY 34 HA2 GLY 34 -2.552 14.116 -3.016 256 H VAL 35 H VAL 35 -1.799 10.962 -3.764 257 HA VAL 35 HA VAL 35 -4.129 10.541 -5.352 258 HB VAL 35 HB VAL 35 -2.075 8.580 -4.289 259 HG11 VAL 35 HG11 VAL 35 -4.424 8.257 -6.140 260 HG12 VAL 35 HG12 VAL 35 -3.872 7.187 -4.851 261 HG13 VAL 35 HG13 VAL 35 -2.980 7.270 -6.370 262 HG21 VAL 35 HG21 VAL 35 -1.772 10.612 -6.111 263 HG22 VAL 35 HG22 VAL 35 -2.214 9.264 -7.157 264 HG23 VAL 35 HG23 VAL 35 -0.809 9.135 -6.100 265 H ILE 36 H ILE 36 -3.328 9.653 -2.037 266 HA ILE 36 HA ILE 36 -5.825 8.086 -1.791 267 HB ILE 36 HB ILE 36 -3.710 8.727 0.289 268 HG12 ILE 36 HG13 ILE 36 -4.122 6.181 -1.297 269 HG13 ILE 36 HG12 ILE 36 -2.940 7.412 -1.721 270 HG21 ILE 36 HG21 ILE 36 -6.309 7.638 0.516 271 HG22 ILE 36 HG22 ILE 36 -5.046 7.657 1.748 272 HG23 ILE 36 HG23 ILE 36 -5.189 6.282 0.652 273 HD11 ILE 36 HD11 ILE 36 -2.758 6.724 1.094 274 HD12 ILE 36 HD12 ILE 36 -1.500 6.687 -0.143 275 HD13 ILE 36 HD13 ILE 36 -2.563 5.297 0.075 276 H ASP 37 H ASP 37 -7.664 9.091 -1.235 277 HA ASP 37 HA ASP 37 -7.510 11.602 0.369 278 HB2 ASP 37 HB3 ASP 37 -9.429 10.777 -1.824 279 HB3 ASP 37 HB2 ASP 37 -9.685 12.167 -0.778 280 H ALA 38 H ALA 38 -10.145 11.844 1.077 281 HA ALA 38 HA ALA 38 -10.427 9.924 3.187 282 HB1 ALA 38 HB1 ALA 38 -11.627 11.799 3.748 283 HB2 ALA 38 HB2 ALA 38 -12.939 10.913 2.972 284 HB3 ALA 38 HB3 ALA 38 -12.056 12.147 2.073 285 H LEU 39 H LEU 39 -12.313 10.362 0.188 286 HA LEU 39 HA LEU 39 -13.692 7.834 0.482 287 HB2 LEU 39 HB3 LEU 39 -13.301 9.681 -1.881 288 HB3 LEU 39 HB2 LEU 39 -14.286 8.226 -1.947 289 HG LEU 39 HG LEU 39 -15.585 9.140 0.019 290 HD11 LEU 39 HD11 LEU 39 -14.234 10.776 1.006 291 HD12 LEU 39 HD12 LEU 39 -15.375 11.753 0.082 292 HD13 LEU 39 HD13 LEU 39 -13.755 11.459 -0.548 293 HD21 LEU 39 HD21 LEU 39 -16.875 9.463 -1.836 294 HD22 LEU 39 HD22 LEU 39 -15.546 10.176 -2.751 295 HD23 LEU 39 HD23 LEU 39 -16.450 11.159 -1.599 296 H GLY 40 H GLY 40 -10.774 9.007 -1.046 297 HA2 GLY 40 HA3 GLY 40 -10.143 6.753 -2.646 298 HA3 GLY 40 HA2 GLY 40 -8.957 7.870 -1.964 299 H LEU 41 H LEU 41 -9.438 7.487 0.758 300 HA LEU 41 HA LEU 41 -7.935 5.110 1.286 301 HB2 LEU 41 HB3 LEU 41 -7.960 7.114 2.760 302 HB3 LEU 41 HB2 LEU 41 -9.635 6.759 3.180 303 HG LEU 41 HG LEU 41 -7.800 4.476 3.501 304 HD11 LEU 41 HD11 LEU 41 -7.079 5.536 5.774 305 HD12 LEU 41 HD12 LEU 41 -7.426 7.073 4.981 306 HD13 LEU 41 HD13 LEU 41 -6.199 5.996 4.316 307 HD21 LEU 41 HD21 LEU 41 -9.675 5.804 5.472 308 HD22 LEU 41 HD22 LEU 41 -9.138 4.125 5.459 309 HD23 LEU 41 HD23 LEU 41 -10.245 4.708 4.215 310 H LEU 42 H LEU 42 -11.392 5.893 1.550 311 HA LEU 42 HA LEU 42 -12.247 3.445 2.727 312 HB2 LEU 42 HB3 LEU 42 -13.714 5.420 2.479 313 HB3 LEU 42 HB2 LEU 42 -13.690 5.219 0.728 314 HG LEU 42 HG LEU 42 -14.480 2.735 1.473 315 HD11 LEU 42 HD11 LEU 42 -15.639 4.649 3.517 316 HD12 LEU 42 HD12 LEU 42 -14.530 3.320 3.861 317 HD13 LEU 42 HD13 LEU 42 -16.157 2.980 3.270 318 HD21 LEU 42 HD21 LEU 42 -15.711 3.861 -0.171 319 HD22 LEU 42 HD22 LEU 42 -16.014 5.251 0.873 320 HD23 LEU 42 HD23 LEU 42 -16.867 3.734 1.157 321 H LYS 43 H LYS 43 -11.913 4.386 -0.679 322 HA LYS 43 HA LYS 43 -12.801 1.938 -1.805 323 HB2 LYS 43 HB3 LYS 43 -10.816 3.967 -2.843 324 HB3 LYS 43 HB2 LYS 43 -11.471 2.649 -3.807 325 HG2 LYS 43 HG3 LYS 43 -13.771 3.506 -3.348 326 HG3 LYS 43 HG2 LYS 43 -13.055 4.876 -2.499 327 HD2 LYS 43 HD3 LYS 43 -11.813 5.471 -4.580 328 HD3 LYS 43 HD2 LYS 43 -12.647 4.161 -5.417 329 HE2 LYS 43 HE3 LYS 43 -14.652 5.281 -5.463 330 HE3 LYS 43 HE2 LYS 43 -14.352 6.097 -3.929 331 HZ1 LYS 43 HZ1 LYS 43 -13.750 7.869 -5.085 332 HZ2 LYS 43 HZ2 LYS 43 -13.886 7.032 -6.553 333 HZ3 LYS 43 HZ3 LYS 43 -12.423 7.001 -5.693 334 H VAL 44 H VAL 44 -9.648 2.943 -0.583 335 HA VAL 44 HA VAL 44 -8.102 0.792 -1.612 336 HB VAL 44 HB VAL 44 -7.789 2.457 0.891 337 HG11 VAL 44 HG11 VAL 44 -6.532 0.525 1.387 338 HG12 VAL 44 HG12 VAL 44 -5.349 1.596 0.635 339 HG13 VAL 44 HG13 VAL 44 -6.070 0.285 -0.299 340 HG21 VAL 44 HG21 VAL 44 -5.815 2.719 -1.236 341 HG22 VAL 44 HG22 VAL 44 -6.802 3.965 -0.472 342 HG23 VAL 44 HG23 VAL 44 -7.446 3.038 -1.827 343 H ILE 45 H ILE 45 -9.715 1.119 1.556 344 HA ILE 45 HA ILE 45 -9.016 -1.519 2.437 345 HB ILE 45 HB ILE 45 -11.168 0.425 3.290 346 HG12 ILE 45 HG13 ILE 45 -9.588 0.303 5.389 347 HG13 ILE 45 HG12 ILE 45 -8.405 -0.317 4.240 348 HG21 ILE 45 HG21 ILE 45 -10.461 -2.315 4.332 349 HG22 ILE 45 HG22 ILE 45 -12.046 -1.700 3.864 350 HG23 ILE 45 HG23 ILE 45 -11.270 -1.109 5.333 351 HD11 ILE 45 HD11 ILE 45 -8.342 2.187 4.556 352 HD12 ILE 45 HD12 ILE 45 -9.942 2.259 3.822 353 HD13 ILE 45 HD13 ILE 45 -8.567 1.669 2.889 354 H ALA 46 H ALA 46 -11.767 -0.263 0.595 355 HA ALA 46 HA ALA 46 -13.454 -2.548 0.914 356 HB1 ALA 46 HB1 ALA 46 -13.272 -0.628 -1.422 357 HB2 ALA 46 HB2 ALA 46 -14.254 -0.395 0.025 358 HB3 ALA 46 HB3 ALA 46 -14.620 -1.714 -1.087 359 H TRP 47 H TRP 47 -11.185 -1.755 -1.767 360 HA TRP 47 HA TRP 47 -11.636 -4.404 -2.939 361 HB2 TRP 47 HB3 TRP 47 -10.892 -3.341 -4.774 362 HB3 TRP 47 HB2 TRP 47 -10.473 -1.929 -3.804 363 HD1 TRP 47 HD1 TRP 47 -8.960 -5.406 -4.626 364 HE1 TRP 47 HE1 TRP 47 -6.394 -5.156 -4.693 365 HE3 TRP 47 HE3 TRP 47 -8.535 -0.491 -3.383 366 HZ2 TRP 47 HZ2 TRP 47 -4.418 -3.122 -4.269 367 HZ3 TRP 47 HZ3 TRP 47 -6.309 0.589 -3.217 368 HH2 TRP 47 HH2 TRP 47 -4.250 -0.720 -3.661 369 H LEU 48 H LEU 48 -8.967 -2.771 -1.242 370 HA LEU 48 HA LEU 48 -7.097 -4.886 -1.393 371 HB2 LEU 48 HB3 LEU 48 -6.630 -2.559 -0.562 372 HB3 LEU 48 HB2 LEU 48 -7.475 -2.968 0.926 373 HG LEU 48 HG LEU 48 -5.849 -4.946 1.104 374 HD11 LEU 48 HD11 LEU 48 -5.038 -3.919 -1.409 375 HD12 LEU 48 HD12 LEU 48 -4.291 -5.227 -0.494 376 HD13 LEU 48 HD13 LEU 48 -3.730 -3.569 -0.280 377 HD21 LEU 48 HD21 LEU 48 -5.502 -2.106 1.684 378 HD22 LEU 48 HD22 LEU 48 -3.958 -2.949 1.552 379 HD23 LEU 48 HD23 LEU 48 -5.170 -3.503 2.707 380 H GLU 49 H GLU 49 -9.677 -4.292 0.996 381 HA GLU 49 HA GLU 49 -8.953 -6.594 2.598 382 HB2 GLU 49 HB3 GLU 49 -10.871 -6.096 3.880 383 HB3 GLU 49 HB2 GLU 49 -10.312 -4.528 3.324 384 HG2 GLU 49 HG3 GLU 49 -12.572 -4.397 2.804 385 HG3 GLU 49 HG2 GLU 49 -11.915 -5.027 1.298 386 H ASP 50 H ASP 50 -11.190 -5.991 -0.067 387 HA ASP 50 HA ASP 50 -12.639 -8.439 0.073 388 HB2 ASP 50 HB3 ASP 50 -13.249 -6.427 -1.289 389 HB3 ASP 50 HB2 ASP 50 -11.966 -6.873 -2.412 390 H ARG 51 H ARG 51 -9.626 -7.654 -1.669 391 HA ARG 51 HA ARG 51 -9.482 -10.128 -3.080 392 HB2 ARG 51 HB3 ARG 51 -7.018 -9.566 -3.274 393 HB3 ARG 51 HB2 ARG 51 -8.127 -8.332 -3.860 394 HG2 ARG 51 HG3 ARG 51 -7.919 -7.132 -1.726 395 HG3 ARG 51 HG2 ARG 51 -6.808 -8.364 -1.137 396 HD2 ARG 51 HD3 ARG 51 -6.370 -6.558 -3.531 397 HD3 ARG 51 HD2 ARG 51 -5.538 -6.448 -1.979 398 HE ARG 51 HE ARG 51 -5.275 -9.039 -3.344 399 HH11 ARG 51 HH22 ARG 51 -4.053 -5.872 -2.739 400 HH12 ARG 51 HH21 ARG 51 -2.424 -6.275 -3.166 401 HH21 ARG 51 HH11 ARG 51 -3.155 -9.582 -3.905 402 HH22 ARG 51 HH12 ARG 51 -1.915 -8.376 -3.826 403 H PHE 52 H PHE 52 -8.252 -9.261 0.175 404 HA PHE 52 HA PHE 52 -7.040 -11.947 0.367 405 HB2 PHE 52 HB3 PHE 52 -7.087 -9.570 2.242 406 HB3 PHE 52 HB2 PHE 52 -6.393 -11.128 2.681 407 HD1 PHE 52 HD1 PHE 52 -4.564 -12.115 1.196 408 HD2 PHE 52 HD2 PHE 52 -5.871 -8.035 0.912 409 HE1 PHE 52 HE1 PHE 52 -2.475 -11.531 -0.005 410 HE2 PHE 52 HE2 PHE 52 -3.783 -7.451 -0.293 411 HZ PHE 52 HZ PHE 52 -2.085 -9.198 -0.751 412 H GLY 53 H GLY 53 -10.043 -10.493 1.003 413 HA2 GLY 53 HA3 GLY 53 -11.987 -11.474 1.900 414 HA3 GLY 53 HA2 GLY 53 -11.053 -12.947 2.183 415 H ILE 54 H ILE 54 -9.965 -9.837 3.348 416 HA ILE 54 HA ILE 54 -10.423 -10.824 6.129 417 HB ILE 54 HB ILE 54 -8.553 -9.362 6.761 418 HG12 ILE 54 HG13 ILE 54 -8.513 -8.676 3.802 419 HG13 ILE 54 HG12 ILE 54 -8.952 -7.577 5.110 420 HG21 ILE 54 HG21 ILE 54 -7.960 -11.081 4.332 421 HG22 ILE 54 HG22 ILE 54 -8.055 -11.651 5.997 422 HG23 ILE 54 HG23 ILE 54 -6.768 -10.546 5.517 423 HD11 ILE 54 HD11 ILE 54 -6.705 -7.037 4.730 424 HD12 ILE 54 HD12 ILE 54 -6.255 -8.716 4.432 425 HD13 ILE 54 HD13 ILE 54 -6.603 -8.175 6.074 426 H ALA 55 H ALA 55 -11.170 -9.280 7.723 427 HA ALA 55 HA ALA 55 -12.784 -7.094 6.496 428 HB1 ALA 55 HB1 ALA 55 -12.980 -8.288 9.277 429 HB2 ALA 55 HB2 ALA 55 -13.959 -8.797 7.901 430 HB3 ALA 55 HB3 ALA 55 -14.115 -7.159 8.537 431 H ALA 56 H ALA 56 -12.128 -5.022 6.793 432 HA ALA 56 HA ALA 56 -9.749 -4.394 8.295 433 HB1 ALA 56 HB1 ALA 56 -10.043 -2.854 6.604 434 HB2 ALA 56 HB2 ALA 56 -10.808 -1.964 7.921 435 HB3 ALA 56 HB3 ALA 56 -11.798 -2.855 6.766 436 H ASP 57 H ASP 57 -13.167 -4.376 9.040 437 HA ASP 57 HA ASP 57 -13.230 -2.649 11.261 438 HB2 ASP 57 HB3 ASP 57 -15.208 -3.787 10.203 439 HB3 ASP 57 HB2 ASP 57 -14.730 -5.259 11.043 440 H ASP 58 H ASP 58 -12.063 -5.970 11.037 441 HA ASP 58 HA ASP 58 -11.916 -6.646 13.755 442 HB2 ASP 58 HB3 ASP 58 -9.990 -7.265 11.513 443 HB3 ASP 58 HB2 ASP 58 -9.913 -8.025 13.100 444 H VAL 59 H VAL 59 -9.714 -4.614 11.859 445 HA VAL 59 HA VAL 59 -8.434 -3.783 14.424 446 HB VAL 59 HB VAL 59 -6.344 -3.500 13.125 447 HG11 VAL 59 HG11 VAL 59 -5.879 -5.579 13.851 448 HG12 VAL 59 HG12 VAL 59 -6.672 -6.245 12.425 449 HG13 VAL 59 HG13 VAL 59 -7.604 -5.948 13.892 450 HG21 VAL 59 HG21 VAL 59 -6.343 -4.749 10.865 451 HG22 VAL 59 HG22 VAL 59 -7.081 -3.148 10.903 452 HG23 VAL 59 HG23 VAL 59 -8.097 -4.589 10.929 453 H GLU 60 H GLU 60 -7.648 -1.537 14.392 454 HA GLU 60 HA GLU 60 -9.339 0.157 12.627 455 HB2 GLU 60 HB3 GLU 60 -7.710 0.866 15.086 456 HB3 GLU 60 HB2 GLU 60 -8.753 1.975 14.203 457 HG2 GLU 60 HG3 GLU 60 -10.679 0.488 14.662 458 HG3 GLU 60 HG2 GLU 60 -9.623 -0.551 15.613 459 H LEU 61 H LEU 61 -8.417 1.167 10.909 460 HA LEU 61 HA LEU 61 -5.450 1.279 10.780 461 HB2 LEU 61 HB3 LEU 61 -7.541 1.407 8.593 462 HB3 LEU 61 HB2 LEU 61 -5.804 1.498 8.336 463 HG LEU 61 HG LEU 61 -5.890 -0.753 9.796 464 HD11 LEU 61 HD11 LEU 61 -8.536 -0.629 8.322 465 HD12 LEU 61 HD12 LEU 61 -8.314 -0.749 10.067 466 HD13 LEU 61 HD13 LEU 61 -7.852 -2.093 9.024 467 HD21 LEU 61 HD21 LEU 61 -6.234 -0.295 6.840 468 HD22 LEU 61 HD22 LEU 61 -6.147 -1.936 7.479 469 HD23 LEU 61 HD23 LEU 61 -4.798 -0.824 7.716 470 H SER 62 H SER 62 -4.435 3.265 10.436 471 HA SER 62 HA SER 62 -6.209 5.657 10.515 472 HB2 SER 62 HB3 SER 62 -4.885 6.229 12.260 473 HB3 SER 62 HB2 SER 62 -3.747 4.934 11.901 474 HG SER 62 HG SER 62 -3.083 6.399 10.101 475 HA PRO 63 HA PRO 63 -5.012 6.833 6.454 476 HB2 PRO 63 HB2 PRO 63 -4.308 9.521 6.926 477 HB3 PRO 63 HB3 PRO 63 -5.922 8.916 6.519 478 HG2 PRO 63 HG3 PRO 63 -4.788 9.666 9.145 479 HG3 PRO 63 HG2 PRO 63 -6.455 9.772 8.556 480 HD2 PRO 63 HD3 PRO 63 -5.666 7.866 10.319 481 HD3 PRO 63 HD2 PRO 63 -6.935 7.569 9.109 482 H GLU 64 H GLU 64 -2.806 7.405 9.105 483 HA GLU 64 HA GLU 64 -0.511 8.146 7.531 484 HB2 GLU 64 HB3 GLU 64 -0.694 6.896 10.277 485 HB3 GLU 64 HB2 GLU 64 0.752 7.615 9.589 486 HG2 GLU 64 HG3 GLU 64 -0.462 9.766 9.368 487 HG3 GLU 64 HG2 GLU 64 -1.852 9.031 10.157 488 H HIS 65 H HIS 65 -2.022 5.131 8.378 489 HA HIS 65 HA HIS 65 0.219 3.420 7.887 490 HB2 HIS 65 HB3 HIS 65 -1.516 2.307 8.961 491 HB3 HIS 65 HB2 HIS 65 -2.753 3.072 7.962 492 HD1 HIS 65 HD1 HIS 65 -3.784 1.453 6.395 493 HD2 HIS 65 HD2 HIS 65 0.249 0.596 7.029 494 HE1 HIS 65 HE1 HIS 65 -3.246 -0.569 4.966 495 HE2 HIS 65 HE2 HIS 65 -0.793 -1.091 5.336 496 H PHE 66 H PHE 66 -1.881 5.196 5.817 497 HA PHE 66 HA PHE 66 -1.095 3.582 3.465 498 HB2 PHE 66 HB3 PHE 66 -2.925 5.993 3.535 499 HB3 PHE 66 HB2 PHE 66 -2.800 4.776 2.265 500 HD1 PHE 66 HD1 PHE 66 -3.610 5.156 5.894 501 HD2 PHE 66 HD2 PHE 66 -4.186 2.876 2.302 502 HE1 PHE 66 HE1 PHE 66 -5.328 3.786 7.041 503 HE2 PHE 66 HE2 PHE 66 -5.902 1.504 3.452 504 HZ PHE 66 HZ PHE 66 -6.469 1.966 5.825 505 H ARG 67 H ARG 67 0.515 5.624 5.152 506 HA ARG 67 HA ARG 67 1.140 7.924 3.690 507 HB2 ARG 67 HB3 ARG 67 3.281 7.860 4.843 508 HB3 ARG 67 HB2 ARG 67 2.017 7.312 5.941 509 HG2 ARG 67 HG3 ARG 67 2.725 4.958 4.767 510 HG3 ARG 67 HG2 ARG 67 4.266 5.806 4.743 511 HD2 ARG 67 HD3 ARG 67 3.477 6.345 7.286 512 HD3 ARG 67 HD2 ARG 67 2.697 4.784 7.042 513 HE ARG 67 HE ARG 67 4.845 3.771 6.921 514 HH11 ARG 67 HH22 ARG 67 4.955 7.218 6.902 515 HH12 ARG 67 HH21 ARG 67 6.663 7.299 7.172 516 HH21 ARG 67 HH11 ARG 67 7.083 3.861 7.277 517 HH22 ARG 67 HH12 ARG 67 7.866 5.401 7.382 518 H SER 68 H SER 68 2.182 4.581 3.126 519 HA SER 68 HA SER 68 3.047 5.376 0.425 520 HB2 SER 68 HB3 SER 68 5.104 5.646 1.776 521 HB3 SER 68 HB2 SER 68 4.938 3.992 2.353 522 HG SER 68 HG SER 68 6.096 4.844 0.138 523 H ILE 69 H ILE 69 3.236 3.566 -1.004 524 HA ILE 69 HA ILE 69 1.359 1.491 -0.623 525 HB ILE 69 HB ILE 69 3.813 1.339 -2.390 526 HG12 ILE 69 HG13 ILE 69 1.769 2.320 -3.952 527 HG13 ILE 69 HG12 ILE 69 1.511 3.175 -2.433 528 HG21 ILE 69 HG21 ILE 69 2.676 -0.283 -3.544 529 HG22 ILE 69 HG22 ILE 69 1.103 0.439 -3.209 530 HG23 ILE 69 HG23 ILE 69 1.914 -0.519 -1.972 531 HD11 ILE 69 HD11 ILE 69 3.905 3.232 -4.247 532 HD12 ILE 69 HD12 ILE 69 4.102 3.584 -2.531 533 HD13 ILE 69 HD13 ILE 69 3.033 4.578 -3.517 534 H ARG 70 H ARG 70 4.792 1.728 0.088 535 HA ARG 70 HA ARG 70 5.416 -0.983 0.590 536 HB2 ARG 70 HB3 ARG 70 6.374 1.454 2.124 537 HB3 ARG 70 HB2 ARG 70 7.194 -0.103 2.032 538 HG2 ARG 70 HG3 ARG 70 7.799 0.204 -0.207 539 HG3 ARG 70 HG2 ARG 70 6.536 1.407 -0.483 540 HD2 ARG 70 HD3 ARG 70 8.709 2.520 -0.340 541 HD3 ARG 70 HD2 ARG 70 7.723 2.973 1.048 542 HE ARG 70 HE ARG 70 9.149 0.812 1.983 543 HH11 ARG 70 HH22 ARG 70 9.937 3.723 0.314 544 HH12 ARG 70 HH21 ARG 70 11.512 3.860 1.021 545 HH21 ARG 70 HH11 ARG 70 11.201 0.975 2.919 546 HH22 ARG 70 HH12 ARG 70 12.227 2.304 2.496 547 H SER 71 H SER 71 4.040 1.477 2.766 548 HA SER 71 HA SER 71 3.899 -0.228 5.072 549 HB2 SER 71 HB3 SER 71 3.720 2.294 5.078 550 HB3 SER 71 HB2 SER 71 2.092 2.118 4.430 551 HG SER 71 HG SER 71 1.874 2.191 6.618 552 H ILE 72 H ILE 72 1.577 0.512 2.483 553 HA ILE 72 HA ILE 72 -0.635 -0.876 3.592 554 HB ILE 72 HB ILE 72 0.081 -0.481 0.676 555 HG12 ILE 72 HG13 ILE 72 -1.546 1.243 2.577 556 HG13 ILE 72 HG12 ILE 72 0.069 1.628 1.984 557 HG21 ILE 72 HG21 ILE 72 -2.366 -0.637 0.357 558 HG22 ILE 72 HG22 ILE 72 -2.558 -0.977 2.076 559 HG23 ILE 72 HG23 ILE 72 -1.707 -2.122 1.042 560 HD11 ILE 72 HD11 ILE 72 -1.054 2.729 0.339 561 HD12 ILE 72 HD12 ILE 72 -2.536 1.809 0.603 562 HD13 ILE 72 HD13 ILE 72 -1.230 1.120 -0.361 563 H ASP 73 H ASP 73 1.809 -2.002 1.231 564 HA ASP 73 HA ASP 73 0.805 -4.660 1.018 565 HB2 ASP 73 HB3 ASP 73 2.633 -3.473 -0.384 566 HB3 ASP 73 HB2 ASP 73 3.741 -3.982 0.887 567 H ALA 74 H ALA 74 3.182 -3.219 3.222 568 HA ALA 74 HA ALA 74 3.871 -5.662 4.554 569 HB1 ALA 74 HB1 ALA 74 5.048 -4.300 6.081 570 HB2 ALA 74 HB2 ALA 74 3.935 -2.949 5.861 571 HB3 ALA 74 HB3 ALA 74 5.074 -3.369 4.582 572 H PHE 75 H PHE 75 1.433 -3.171 5.250 573 HA PHE 75 HA PHE 75 0.600 -4.244 7.759 574 HB2 PHE 75 HB3 PHE 75 -0.031 -1.991 6.895 575 HB3 PHE 75 HB2 PHE 75 -1.105 -2.777 5.741 576 HD1 PHE 75 HD2 PHE 75 -0.468 -2.171 9.338 577 HD2 PHE 75 HD1 PHE 75 -3.204 -3.742 6.424 578 HE1 PHE 75 HE2 PHE 75 -2.234 -2.317 11.074 579 HE2 PHE 75 HE1 PHE 75 -4.969 -3.889 8.159 580 HZ PHE 75 HZ PHE 75 -4.484 -3.177 10.484 581 H VAL 76 H VAL 76 -0.644 -4.813 4.458 582 HA VAL 76 HA VAL 76 -2.657 -6.692 5.265 583 HB VAL 76 HB VAL 76 -1.209 -6.352 2.624 584 HG11 VAL 76 HG11 VAL 76 -3.838 -7.321 2.302 585 HG12 VAL 76 HG12 VAL 76 -3.101 -8.311 3.559 586 HG13 VAL 76 HG13 VAL 76 -2.335 -8.181 1.977 587 HG21 VAL 76 HG21 VAL 76 -2.390 -4.325 3.363 588 HG22 VAL 76 HG22 VAL 76 -3.850 -5.269 3.659 589 HG23 VAL 76 HG23 VAL 76 -3.246 -5.071 2.014 590 H VAL 77 H VAL 77 0.654 -7.152 3.953 591 HA VAL 77 HA VAL 77 0.555 -10.024 4.163 592 HB VAL 77 HB VAL 77 2.847 -8.057 3.951 593 HG11 VAL 77 HG11 VAL 77 4.026 -9.824 4.796 594 HG12 VAL 77 HG12 VAL 77 3.898 -10.400 3.134 595 HG13 VAL 77 HG13 VAL 77 2.782 -10.996 4.363 596 HG21 VAL 77 HG21 VAL 77 2.345 -8.098 1.755 597 HG22 VAL 77 HG22 VAL 77 0.971 -9.150 2.091 598 HG23 VAL 77 HG23 VAL 77 2.551 -9.850 1.738 599 H GLY 78 H GLY 78 1.833 -7.449 6.240 600 HA2 GLY 78 HA3 GLY 78 3.057 -9.083 8.204 601 HA3 GLY 78 HA2 GLY 78 2.433 -7.464 8.498 602 H ALA 79 H ALA 79 -0.319 -8.075 7.824 603 HA ALA 79 HA ALA 79 -1.206 -9.012 10.389 604 HB1 ALA 79 HB1 ALA 79 -2.882 -7.726 9.558 605 HB2 ALA 79 HB2 ALA 79 -3.426 -9.226 8.805 606 HB3 ALA 79 HB3 ALA 79 -2.450 -8.082 7.885 607 H THR 80 H THR 80 -1.063 -10.581 7.198 608 HA THR 80 HA THR 80 -2.246 -13.042 8.250 609 HB THR 80 HB THR 80 -1.907 -13.925 6.011 610 HG1 THR 80 HG1 THR 80 -0.460 -13.113 4.705 611 HG21 THR 80 HG21 THR 80 -3.644 -12.038 6.547 612 HG22 THR 80 HG22 THR 80 -3.360 -12.495 4.869 613 HG23 THR 80 HG23 THR 80 -2.605 -11.043 5.528 614 H THR 81 H THR 81 0.955 -11.771 7.620 615 HA THR 81 HA THR 81 2.072 -14.232 8.852 616 HB THR 81 HB THR 81 4.079 -13.485 7.204 617 HG1 THR 81 HG1 THR 81 2.453 -13.299 5.206 618 HG21 THR 81 HG21 THR 81 1.719 -15.269 6.577 619 HG22 THR 81 HG22 THR 81 3.225 -15.746 7.361 620 HG23 THR 81 HG23 THR 81 3.226 -15.273 5.662 621 HA PRO 82 HA PRO 82 4.197 -11.487 11.573 622 HB2 PRO 82 HB2 PRO 82 6.665 -12.749 11.753 623 HB3 PRO 82 HB3 PRO 82 5.221 -13.209 12.672 624 HG2 PRO 82 HG3 PRO 82 6.373 -14.423 10.220 625 HG3 PRO 82 HG2 PRO 82 5.562 -15.195 11.594 626 HD2 PRO 82 HD3 PRO 82 4.318 -14.805 9.203 627 HD3 PRO 82 HD2 PRO 82 3.441 -14.784 10.750 628 HA PRO 83 HA PRO 83 6.458 -9.217 8.315 629 HB2 PRO 83 HB2 PRO 83 6.271 -6.739 9.466 630 HB3 PRO 83 HB3 PRO 83 5.003 -7.471 8.472 631 HG2 PRO 83 HG3 PRO 83 5.161 -7.157 11.403 632 HG3 PRO 83 HG2 PRO 83 3.745 -7.196 10.344 633 HD2 PRO 83 HD3 PRO 83 4.617 -9.308 11.943 634 HD3 PRO 83 HD2 PRO 83 3.508 -9.460 10.564 635 H VAL 84 H VAL 84 8.524 -8.301 8.149 636 HA VAL 84 HA VAL 84 10.195 -8.541 10.611 637 HB VAL 84 HB VAL 84 10.842 -9.924 8.629 638 HG11 VAL 84 HG11 VAL 84 10.032 -8.214 6.954 639 HG12 VAL 84 HG12 VAL 84 11.639 -8.857 6.614 640 HG13 VAL 84 HG13 VAL 84 11.464 -7.256 7.332 641 HG21 VAL 84 HG21 VAL 84 12.997 -9.698 9.280 642 HG22 VAL 84 HG22 VAL 84 12.454 -8.346 10.273 643 HG23 VAL 84 HG23 VAL 84 13.084 -8.052 8.652 644 H GLU 85 H GLU 85 11.321 -6.741 11.357 645 HA GLU 85 HA GLU 85 11.578 -4.411 11.682 646 HB2 GLU 85 HB3 GLU 85 12.320 -4.714 8.754 647 HB3 GLU 85 HB2 GLU 85 12.744 -3.337 9.772 648 HG2 GLU 85 HG3 GLU 85 13.960 -4.875 11.303 649 HG3 GLU 85 HG2 GLU 85 13.594 -6.214 10.215 650 H ALA 86 H ALA 86 8.900 -4.966 11.331 651 HA ALA 86 HA ALA 86 7.565 -3.700 9.188 652 HB1 ALA 86 HB1 ALA 86 5.994 -3.202 11.458 653 HB2 ALA 86 HB2 ALA 86 6.882 -4.678 11.837 654 HB3 ALA 86 HB3 ALA 86 5.881 -4.599 10.387 655 H LYS 87 H LYS 87 6.701 -1.576 8.961 656 HA LYS 87 HA LYS 87 8.392 0.570 9.690 657 HB2 LYS 87 HB3 LYS 87 5.445 0.591 8.971 658 HB3 LYS 87 HB2 LYS 87 6.460 2.030 9.049 659 HG2 LYS 87 HG3 LYS 87 7.966 1.031 7.338 660 HG3 LYS 87 HG2 LYS 87 6.879 -0.355 7.221 661 HD2 LYS 87 HD3 LYS 87 5.031 1.174 6.576 662 HD3 LYS 87 HD2 LYS 87 6.156 2.529 6.624 663 HE2 LYS 87 HE3 LYS 87 6.115 0.196 4.717 664 HE3 LYS 87 HE2 LYS 87 6.126 1.920 4.346 665 HZ1 LYS 87 HZ1 LYS 87 8.362 2.094 5.095 666 HZ2 LYS 87 HZ2 LYS 87 8.293 0.789 4.013 667 HZ3 LYS 87 HZ3 LYS 87 8.361 0.501 5.686 668 H LEU 88 H LEU 88 5.570 -0.787 11.332 669 HA LEU 88 HA LEU 88 5.735 1.301 13.427 670 HB2 LEU 88 HB3 LEU 88 3.860 -1.076 13.219 671 HB3 LEU 88 HB2 LEU 88 3.694 0.301 14.309 672 HG LEU 88 HG LEU 88 3.574 0.382 11.281 673 HD11 LEU 88 HD11 LEU 88 1.252 1.059 11.644 674 HD12 LEU 88 HD12 LEU 88 1.483 0.995 13.391 675 HD13 LEU 88 HD13 LEU 88 1.546 -0.488 12.439 676 HD21 LEU 88 HD21 LEU 88 4.552 2.437 11.828 677 HD22 LEU 88 HD22 LEU 88 3.745 2.516 13.394 678 HD23 LEU 88 HD23 LEU 88 2.834 2.827 11.916 679 H GLN 89 H GLN 89 6.417 0.861 15.534 680 HA GLN 89 HA GLN 89 7.657 -0.241 17.195 681 HB2 GLN 89 HB3 GLN 89 5.564 -1.633 17.187 682 HB3 GLN 89 HB2 GLN 89 6.347 -2.720 16.038 683 HG2 GLN 89 HG3 GLN 89 6.707 -3.686 18.194 684 HG3 GLN 89 HG2 GLN 89 8.239 -2.938 17.739 685 HE21 GLN 89 HE22 GLN 89 9.129 -1.652 19.354 686 HE22 GLN 89 HE21 GLN 89 8.250 -0.868 20.575 Start of MODEL 19 1 H1 SER -1 H1 SER -1 11.259 -8.772 4.629 2 H2 SER -1 H2 SER -1 11.227 -9.718 3.219 3 H3 SER -1 H3 SER -1 10.633 -10.347 4.681 4 HA SER -1 HA SER -1 8.618 -9.619 4.190 5 HB2 SER -1 HB3 SER -1 9.424 -7.597 5.432 6 HB3 SER -1 HB2 SER -1 9.900 -6.885 3.893 7 HG SER -1 HG SER -1 7.499 -6.924 5.046 8 H GLU 0 H GLU 0 7.781 -10.274 2.267 9 HA GLU 0 HA GLU 0 8.962 -9.184 -0.242 10 HB2 GLU 0 HB3 GLU 0 8.763 -11.672 0.048 11 HB3 GLU 0 HB2 GLU 0 7.010 -11.480 0.102 12 HG2 GLU 0 HG3 GLU 0 7.096 -10.396 -2.142 13 HG3 GLU 0 HG2 GLU 0 8.829 -10.714 -2.200 14 H MET 1 H MET 1 7.776 -7.825 -1.534 15 HA MET 1 HA MET 1 5.437 -6.536 -0.546 16 HB2 MET 1 HB3 MET 1 6.496 -6.739 -3.380 17 HB3 MET 1 HB2 MET 1 5.225 -5.632 -2.862 18 HG2 MET 1 HG3 MET 1 6.802 -4.651 -1.201 19 HG3 MET 1 HG2 MET 1 8.074 -5.695 -1.836 20 HE1 MET 1 HE1 MET 1 9.201 -2.300 -3.211 21 HE2 MET 1 HE2 MET 1 9.632 -3.775 -2.335 22 HE3 MET 1 HE3 MET 1 8.466 -2.648 -1.648 23 H GLN 2 H GLN 2 5.849 -9.300 -2.704 24 HA GLN 2 HA GLN 2 4.290 -10.817 -3.566 25 HB2 GLN 2 HB3 GLN 2 2.722 -9.843 -1.155 26 HB3 GLN 2 HB2 GLN 2 2.297 -11.249 -2.129 27 HG2 GLN 2 HG3 GLN 2 4.446 -12.303 -1.588 28 HG3 GLN 2 HG2 GLN 2 4.920 -10.885 -0.652 29 HE21 GLN 2 HE22 GLN 2 4.735 -13.462 0.579 30 HE22 GLN 2 HE21 GLN 2 3.441 -13.443 1.676 31 H HIS 3 H HIS 3 3.811 -9.773 -5.512 32 HA HIS 3 HA HIS 3 2.402 -8.795 -7.100 33 HB2 HIS 3 HB3 HIS 3 0.299 -8.585 -4.939 34 HB3 HIS 3 HB2 HIS 3 0.066 -8.725 -6.677 35 HD1 HIS 3 HD1 HIS 3 1.037 -11.078 -7.736 36 HD2 HIS 3 HD2 HIS 3 0.243 -11.034 -3.640 37 HE1 HIS 3 HE1 HIS 3 0.881 -13.502 -7.008 38 HE2 HIS 3 HE2 HIS 3 0.398 -13.485 -4.518 39 H ALA 4 H ALA 4 4.190 -7.089 -5.692 40 HA ALA 4 HA ALA 4 2.950 -4.750 -4.625 41 HB1 ALA 4 HB1 ALA 4 5.360 -4.198 -6.187 42 HB2 ALA 4 HB2 ALA 4 5.561 -5.582 -5.113 43 HB3 ALA 4 HB3 ALA 4 5.086 -4.015 -4.455 44 H SER 5 H SER 5 3.757 -5.691 -7.947 45 HA SER 5 HA SER 5 3.176 -3.212 -9.213 46 HB2 SER 5 HB3 SER 5 2.730 -5.996 -10.324 47 HB3 SER 5 HB2 SER 5 2.911 -4.516 -11.262 48 HG SER 5 HG SER 5 4.854 -5.493 -9.437 49 H VAL 6 H VAL 6 1.055 -5.855 -8.197 50 HA VAL 6 HA VAL 6 -1.302 -4.987 -9.540 51 HB VAL 6 HB VAL 6 -0.924 -6.489 -6.949 52 HG11 VAL 6 HG11 VAL 6 -3.099 -5.673 -6.695 53 HG12 VAL 6 HG12 VAL 6 -3.382 -7.185 -7.559 54 HG13 VAL 6 HG13 VAL 6 -3.398 -5.652 -8.433 55 HG21 VAL 6 HG21 VAL 6 -1.618 -8.413 -8.385 56 HG22 VAL 6 HG22 VAL 6 -0.121 -7.663 -8.937 57 HG23 VAL 6 HG23 VAL 6 -1.636 -7.329 -9.775 58 H ILE 7 H ILE 7 -0.067 -4.215 -6.293 59 HA ILE 7 HA ILE 7 -2.222 -2.535 -5.492 60 HB ILE 7 HB ILE 7 0.716 -2.274 -4.775 61 HG12 ILE 7 HG13 ILE 7 -1.456 -3.757 -3.271 62 HG13 ILE 7 HG12 ILE 7 -0.383 -4.556 -4.420 63 HG21 ILE 7 HG21 ILE 7 -1.832 -1.340 -3.418 64 HG22 ILE 7 HG22 ILE 7 -0.582 -0.316 -4.125 65 HG23 ILE 7 HG23 ILE 7 -0.230 -1.273 -2.685 66 HD11 ILE 7 HD11 ILE 7 1.560 -3.572 -3.091 67 HD12 ILE 7 HD12 ILE 7 0.637 -4.836 -2.277 68 HD13 ILE 7 HD13 ILE 7 0.375 -3.144 -1.855 69 H ALA 8 H ALA 8 0.807 -1.804 -7.204 70 HA ALA 8 HA ALA 8 0.445 1.011 -7.393 71 HB1 ALA 8 HB1 ALA 8 1.735 -0.721 -9.513 72 HB2 ALA 8 HB2 ALA 8 2.528 -0.344 -7.984 73 HB3 ALA 8 HB3 ALA 8 2.115 0.953 -9.107 74 H GLN 9 H GLN 9 -0.765 -1.671 -9.340 75 HA GLN 9 HA GLN 9 -1.833 -0.128 -11.496 76 HB2 GLN 9 HB3 GLN 9 -1.516 -2.622 -11.494 77 HB3 GLN 9 HB2 GLN 9 -2.906 -2.746 -10.414 78 HG2 GLN 9 HG3 GLN 9 -4.290 -1.562 -12.117 79 HG3 GLN 9 HG2 GLN 9 -2.904 -1.568 -13.209 80 HE21 GLN 9 HE22 GLN 9 -2.490 -4.380 -11.586 81 HE22 GLN 9 HE21 GLN 9 -3.379 -5.438 -12.571 82 H PHE 10 H PHE 10 -3.205 -1.089 -8.363 83 HA PHE 10 HA PHE 10 -5.865 -0.170 -8.922 84 HB2 PHE 10 HB3 PHE 10 -4.326 -0.737 -6.412 85 HB3 PHE 10 HB2 PHE 10 -5.891 0.066 -6.309 86 HD1 PHE 10 HD1 PHE 10 -7.921 -1.047 -7.301 87 HD2 PHE 10 HD2 PHE 10 -4.163 -3.077 -6.851 88 HE1 PHE 10 HE1 PHE 10 -9.077 -3.230 -7.518 89 HE2 PHE 10 HE2 PHE 10 -5.318 -5.262 -7.072 90 HZ PHE 10 HZ PHE 10 -7.775 -5.336 -7.399 91 H VAL 11 H VAL 11 -3.180 1.442 -7.193 92 HA VAL 11 HA VAL 11 -4.605 3.830 -6.639 93 HB VAL 11 HB VAL 11 -2.294 4.889 -6.569 94 HG11 VAL 11 HG11 VAL 11 -2.511 4.207 -4.437 95 HG12 VAL 11 HG12 VAL 11 -1.707 2.702 -4.885 96 HG13 VAL 11 HG13 VAL 11 -3.466 2.812 -4.942 97 HG21 VAL 11 HG21 VAL 11 -1.541 2.058 -7.324 98 HG22 VAL 11 HG22 VAL 11 -0.407 3.243 -6.686 99 HG23 VAL 11 HG23 VAL 11 -1.185 3.518 -8.244 100 H VAL 12 H VAL 12 -2.494 3.090 -9.456 101 HA VAL 12 HA VAL 12 -2.921 5.633 -10.698 102 HB VAL 12 HB VAL 12 -2.072 4.555 -12.737 103 HG11 VAL 12 HG11 VAL 12 -0.241 3.192 -11.007 104 HG12 VAL 12 HG12 VAL 12 -0.780 4.667 -10.205 105 HG13 VAL 12 HG13 VAL 12 -0.039 4.752 -11.804 106 HG21 VAL 12 HG21 VAL 12 -2.470 2.031 -11.121 107 HG22 VAL 12 HG22 VAL 12 -1.498 2.102 -12.587 108 HG23 VAL 12 HG23 VAL 12 -3.225 2.436 -12.660 109 H GLU 13 H GLU 13 -4.624 2.499 -11.076 110 HA GLU 13 HA GLU 13 -6.394 3.427 -13.128 111 HB2 GLU 13 HB3 GLU 13 -6.602 1.204 -11.106 112 HB3 GLU 13 HB2 GLU 13 -7.845 1.501 -12.314 113 HG2 GLU 13 HG3 GLU 13 -6.133 1.306 -14.094 114 HG3 GLU 13 HG2 GLU 13 -4.932 0.922 -12.867 115 H GLU 14 H GLU 14 -6.390 3.803 -9.672 116 HA GLU 14 HA GLU 14 -9.158 4.425 -9.320 117 HB2 GLU 14 HB3 GLU 14 -7.487 3.952 -7.483 118 HB3 GLU 14 HB2 GLU 14 -6.846 5.576 -7.739 119 HG2 GLU 14 HG3 GLU 14 -9.118 6.507 -7.305 120 HG3 GLU 14 HG2 GLU 14 -9.692 4.877 -6.959 121 H PHE 15 H PHE 15 -6.426 6.367 -10.440 122 HA PHE 15 HA PHE 15 -8.380 8.508 -11.108 123 HB2 PHE 15 HB3 PHE 15 -5.791 8.912 -9.592 124 HB3 PHE 15 HB2 PHE 15 -6.692 10.224 -10.350 125 HD1 PHE 15 HD2 PHE 15 -9.108 10.617 -9.654 126 HD2 PHE 15 HD1 PHE 15 -6.443 8.039 -7.483 127 HE1 PHE 15 HE2 PHE 15 -10.597 10.744 -7.675 128 HE2 PHE 15 HE1 PHE 15 -7.932 8.169 -5.504 129 HZ PHE 15 HZ PHE 15 -10.008 9.521 -5.599 130 H LEU 16 H LEU 16 -5.140 7.132 -11.617 131 HA LEU 16 HA LEU 16 -5.120 8.470 -14.296 132 HB2 LEU 16 HB3 LEU 16 -3.023 8.101 -12.221 133 HB3 LEU 16 HB2 LEU 16 -2.522 7.951 -13.904 134 HG LEU 16 HG LEU 16 -4.175 10.279 -12.919 135 HD11 LEU 16 HD11 LEU 16 -2.147 11.554 -12.643 136 HD12 LEU 16 HD12 LEU 16 -1.164 10.223 -13.255 137 HD13 LEU 16 HD13 LEU 16 -1.970 10.079 -11.694 138 HD21 LEU 16 HD21 LEU 16 -3.380 9.377 -15.468 139 HD22 LEU 16 HD22 LEU 16 -2.324 10.742 -15.105 140 HD23 LEU 16 HD23 LEU 16 -4.075 10.948 -15.072 141 HA PRO 17 HA PRO 17 -5.037 3.876 -14.937 142 HB2 PRO 17 HB2 PRO 17 -6.916 3.819 -16.923 143 HB3 PRO 17 HB3 PRO 17 -7.312 3.726 -15.199 144 HG2 PRO 17 HG3 PRO 17 -7.559 5.998 -17.073 145 HG3 PRO 17 HG2 PRO 17 -8.545 5.576 -15.667 146 HD2 PRO 17 HD3 PRO 17 -6.590 7.561 -15.718 147 HD3 PRO 17 HD2 PRO 17 -7.245 6.810 -14.249 148 H ASP 18 H ASP 18 -4.449 6.627 -16.897 149 HA ASP 18 HA ASP 18 -3.524 5.030 -19.202 150 HB2 ASP 18 HB3 ASP 18 -3.696 8.001 -18.702 151 HB3 ASP 18 HB2 ASP 18 -3.060 7.295 -20.181 152 H VAL 19 H VAL 19 -2.188 5.435 -16.342 153 HA VAL 19 HA VAL 19 0.504 6.216 -17.387 154 HB VAL 19 HB VAL 19 -0.499 6.105 -14.526 155 HG11 VAL 19 HG11 VAL 19 1.801 7.681 -14.712 156 HG12 VAL 19 HG12 VAL 19 2.151 6.282 -15.728 157 HG13 VAL 19 HG13 VAL 19 1.706 6.054 -14.037 158 HG21 VAL 19 HG21 VAL 19 0.153 8.479 -16.303 159 HG22 VAL 19 HG22 VAL 19 -0.448 8.545 -14.647 160 HG23 VAL 19 HG23 VAL 19 -1.481 7.928 -15.936 161 H ALA 20 H ALA 20 2.129 4.721 -17.379 162 HA ALA 20 HA ALA 20 1.487 1.942 -16.902 163 HB1 ALA 20 HB1 ALA 20 3.886 1.564 -17.442 164 HB2 ALA 20 HB2 ALA 20 4.135 3.310 -17.435 165 HB3 ALA 20 HB3 ALA 20 3.078 2.575 -18.641 166 HA PRO 21 HA PRO 21 2.263 2.259 -12.426 167 HB2 PRO 21 HB2 PRO 21 2.554 -0.684 -12.630 168 HB3 PRO 21 HB3 PRO 21 1.489 0.273 -11.587 169 HG2 PRO 21 HG3 PRO 21 0.624 -1.105 -13.748 170 HG3 PRO 21 HG2 PRO 21 -0.165 0.352 -13.131 171 HD2 PRO 21 HD3 PRO 21 1.442 0.001 -15.587 172 HD3 PRO 21 HD2 PRO 21 0.233 1.241 -15.188 173 H ALA 22 H ALA 22 4.258 0.504 -14.733 174 HA ALA 22 HA ALA 22 6.450 -0.078 -12.983 175 HB1 ALA 22 HB1 ALA 22 7.543 0.353 -15.524 176 HB2 ALA 22 HB2 ALA 22 5.896 -0.195 -15.836 177 HB3 ALA 22 HB3 ALA 22 6.987 -1.188 -14.871 178 H ASP 23 H ASP 23 5.450 2.855 -14.592 179 HA ASP 23 HA ASP 23 8.061 4.141 -14.176 180 HB2 ASP 23 HB3 ASP 23 7.044 6.103 -15.199 181 HB3 ASP 23 HB2 ASP 23 6.658 4.680 -16.164 182 H VAL 24 H VAL 24 5.822 3.263 -12.038 183 HA VAL 24 HA VAL 24 5.770 5.857 -10.565 184 HB VAL 24 HB VAL 24 4.404 3.276 -9.782 185 HG11 VAL 24 HG11 VAL 24 4.765 5.605 -8.394 186 HG12 VAL 24 HG12 VAL 24 3.412 4.502 -8.146 187 HG13 VAL 24 HG13 VAL 24 3.220 5.913 -9.186 188 HG21 VAL 24 HG21 VAL 24 3.737 3.992 -12.092 189 HG22 VAL 24 HG22 VAL 24 3.253 5.553 -11.429 190 HG23 VAL 24 HG23 VAL 24 2.410 4.085 -10.935 191 H ASP 25 H ASP 25 7.070 6.139 -8.788 192 HA ASP 25 HA ASP 25 8.838 3.898 -8.026 193 HB2 ASP 25 HB3 ASP 25 9.731 6.223 -8.356 194 HB3 ASP 25 HB2 ASP 25 8.773 6.741 -6.967 195 H VAL 26 H VAL 26 8.214 2.559 -6.399 196 HA VAL 26 HA VAL 26 5.987 3.243 -4.660 197 HB VAL 26 HB VAL 26 6.396 1.045 -3.662 198 HG11 VAL 26 HG11 VAL 26 6.204 1.493 -6.558 199 HG12 VAL 26 HG12 VAL 26 5.231 0.456 -5.515 200 HG13 VAL 26 HG13 VAL 26 6.780 -0.119 -6.131 201 HG21 VAL 26 HG21 VAL 26 8.454 -0.089 -5.118 202 HG22 VAL 26 HG22 VAL 26 8.583 0.479 -3.454 203 HG23 VAL 26 HG23 VAL 26 9.064 1.533 -4.784 204 H ASP 27 H ASP 27 9.042 4.364 -4.664 205 HA ASP 27 HA ASP 27 9.473 4.186 -1.736 206 HB2 ASP 27 HB3 ASP 27 11.158 5.299 -3.998 207 HB3 ASP 27 HB2 ASP 27 11.623 5.362 -2.301 208 H LEU 28 H LEU 28 7.725 6.058 -3.797 209 HA LEU 28 HA LEU 28 8.347 8.642 -2.483 210 HB2 LEU 28 HB3 LEU 28 7.980 8.556 -4.950 211 HB3 LEU 28 HB2 LEU 28 6.334 8.004 -4.662 212 HG LEU 28 HG LEU 28 5.963 10.094 -3.290 213 HD11 LEU 28 HD11 LEU 28 8.060 10.902 -2.672 214 HD12 LEU 28 HD12 LEU 28 7.688 11.942 -4.047 215 HD13 LEU 28 HD13 LEU 28 8.769 10.565 -4.252 216 HD21 LEU 28 HD21 LEU 28 6.660 10.220 -6.227 217 HD22 LEU 28 HD22 LEU 28 5.998 11.615 -5.374 218 HD23 LEU 28 HD23 LEU 28 5.063 10.123 -5.485 219 H ASP 29 H ASP 29 6.865 9.682 -1.106 220 HA ASP 29 HA ASP 29 5.056 7.980 0.341 221 HB2 ASP 29 HB3 ASP 29 6.157 10.019 1.301 222 HB3 ASP 29 HB2 ASP 29 5.115 11.013 0.285 223 H LEU 30 H LEU 30 3.135 7.309 -0.363 224 HA LEU 30 HA LEU 30 1.863 8.236 -2.725 225 HB2 LEU 30 HB3 LEU 30 1.547 5.991 -1.676 226 HB3 LEU 30 HB2 LEU 30 0.597 6.758 -0.407 227 HG LEU 30 HG LEU 30 -0.968 7.623 -2.134 228 HD11 LEU 30 HD11 LEU 30 1.098 6.427 -3.888 229 HD12 LEU 30 HD12 LEU 30 0.017 7.785 -4.189 230 HD13 LEU 30 HD13 LEU 30 -0.571 6.132 -4.373 231 HD21 LEU 30 HD21 LEU 30 -2.177 5.668 -2.135 232 HD22 LEU 30 HD22 LEU 30 -0.897 5.146 -1.040 233 HD23 LEU 30 HD23 LEU 30 -0.825 4.716 -2.748 234 H VAL 31 H VAL 31 1.290 9.089 0.680 235 HA VAL 31 HA VAL 31 -1.109 10.573 0.168 236 HB VAL 31 HB VAL 31 0.899 10.737 2.417 237 HG11 VAL 31 HG11 VAL 31 -1.396 11.856 3.376 238 HG12 VAL 31 HG12 VAL 31 -1.428 12.428 1.706 239 HG13 VAL 31 HG13 VAL 31 -0.046 12.795 2.738 240 HG21 VAL 31 HG21 VAL 31 -0.840 9.529 3.638 241 HG22 VAL 31 HG22 VAL 31 -0.476 8.658 2.148 242 HG23 VAL 31 HG23 VAL 31 -1.929 9.649 2.256 243 H ASP 32 H ASP 32 2.309 11.550 0.195 244 HA ASP 32 HA ASP 32 1.957 14.343 0.075 245 HB2 ASP 32 HB3 ASP 32 3.989 12.578 -1.322 246 HB3 ASP 32 HB2 ASP 32 4.080 14.340 -1.313 247 H ASN 33 H ASN 33 1.518 11.877 -2.371 248 HA ASN 33 HA ASN 33 1.179 13.673 -4.603 249 HB2 ASN 33 HB3 ASN 33 0.368 10.818 -4.089 250 HB3 ASN 33 HB2 ASN 33 0.051 11.630 -5.617 251 HD21 ASN 33 HD22 ASN 33 2.396 13.099 -6.015 252 HD22 ASN 33 HD21 ASN 33 3.726 12.051 -6.127 253 H GLY 34 H GLY 34 -0.997 12.285 -2.194 254 HA2 GLY 34 HA3 GLY 34 -3.095 13.264 -1.547 255 HA3 GLY 34 HA2 GLY 34 -3.085 14.209 -3.040 256 H VAL 35 H VAL 35 -2.182 11.085 -3.742 257 HA VAL 35 HA VAL 35 -4.502 10.506 -5.289 258 HB VAL 35 HB VAL 35 -2.359 8.671 -4.171 259 HG11 VAL 35 HG11 VAL 35 -4.161 7.224 -4.663 260 HG12 VAL 35 HG12 VAL 35 -3.196 7.207 -6.139 261 HG13 VAL 35 HG13 VAL 35 -4.663 8.182 -6.057 262 HG21 VAL 35 HG21 VAL 35 -1.111 9.289 -5.958 263 HG22 VAL 35 HG22 VAL 35 -2.228 10.644 -6.124 264 HG23 VAL 35 HG23 VAL 35 -2.487 9.169 -7.056 265 H ILE 36 H ILE 36 -3.666 9.852 -1.947 266 HA ILE 36 HA ILE 36 -6.079 8.169 -1.602 267 HB ILE 36 HB ILE 36 -3.974 8.983 0.427 268 HG12 ILE 36 HG13 ILE 36 -4.254 6.353 -1.046 269 HG13 ILE 36 HG12 ILE 36 -3.171 7.636 -1.567 270 HG21 ILE 36 HG21 ILE 36 -5.220 7.862 1.931 271 HG22 ILE 36 HG22 ILE 36 -5.342 6.473 0.852 272 HG23 ILE 36 HG23 ILE 36 -6.507 7.791 0.727 273 HD11 ILE 36 HD11 ILE 36 -2.841 7.155 1.261 274 HD12 ILE 36 HD12 ILE 36 -1.637 7.055 -0.024 275 HD13 ILE 36 HD13 ILE 36 -2.635 5.652 0.358 276 H ASP 37 H ASP 37 -7.924 8.976 -0.770 277 HA ASP 37 HA ASP 37 -7.846 11.533 0.751 278 HB2 ASP 37 HB3 ASP 37 -8.448 11.903 -1.702 279 HB3 ASP 37 HB2 ASP 37 -9.907 10.960 -1.393 280 H ALA 38 H ALA 38 -10.636 11.737 1.117 281 HA ALA 38 HA ALA 38 -11.067 9.825 3.205 282 HB1 ALA 38 HB1 ALA 38 -12.339 11.746 3.526 283 HB2 ALA 38 HB2 ALA 38 -13.554 10.671 2.835 284 HB3 ALA 38 HB3 ALA 38 -12.759 11.873 1.817 285 H LEU 39 H LEU 39 -12.632 10.146 0.013 286 HA LEU 39 HA LEU 39 -13.899 7.548 0.189 287 HB2 LEU 39 HB3 LEU 39 -13.370 9.401 -2.141 288 HB3 LEU 39 HB2 LEU 39 -14.271 7.898 -2.286 289 HG LEU 39 HG LEU 39 -15.803 8.757 -0.474 290 HD11 LEU 39 HD11 LEU 39 -15.719 11.381 -0.414 291 HD12 LEU 39 HD12 LEU 39 -14.028 11.151 -0.859 292 HD13 LEU 39 HD13 LEU 39 -14.649 10.456 0.638 293 HD21 LEU 39 HD21 LEU 39 -16.709 10.655 -2.121 294 HD22 LEU 39 HD22 LEU 39 -16.814 8.945 -2.544 295 HD23 LEU 39 HD23 LEU 39 -15.513 9.938 -3.202 296 H GLY 40 H GLY 40 -10.914 8.875 -1.067 297 HA2 GLY 40 HA3 GLY 40 -10.013 6.649 -2.574 298 HA3 GLY 40 HA2 GLY 40 -8.960 7.835 -1.800 299 H LEU 41 H LEU 41 -9.583 7.462 0.863 300 HA LEU 41 HA LEU 41 -8.043 5.147 1.536 301 HB2 LEU 41 HB3 LEU 41 -8.262 7.186 2.962 302 HB3 LEU 41 HB2 LEU 41 -9.936 6.738 3.294 303 HG LEU 41 HG LEU 41 -7.956 4.591 3.754 304 HD11 LEU 41 HD11 LEU 41 -6.557 6.224 4.693 305 HD12 LEU 41 HD12 LEU 41 -7.529 5.723 6.078 306 HD13 LEU 41 HD13 LEU 41 -7.914 7.218 5.222 307 HD21 LEU 41 HD21 LEU 41 -10.524 4.773 4.291 308 HD22 LEU 41 HD22 LEU 41 -9.977 5.683 5.698 309 HD23 LEU 41 HD23 LEU 41 -9.451 4.016 5.468 310 H LEU 42 H LEU 42 -11.523 5.802 1.490 311 HA LEU 42 HA LEU 42 -12.406 3.374 2.681 312 HB2 LEU 42 HB3 LEU 42 -13.895 5.297 2.236 313 HB3 LEU 42 HB2 LEU 42 -13.721 5.030 0.503 314 HG LEU 42 HG LEU 42 -14.504 2.554 1.286 315 HD11 LEU 42 HD11 LEU 42 -14.739 3.508 3.651 316 HD12 LEU 42 HD12 LEU 42 -16.141 2.652 3.009 317 HD13 LEU 42 HD13 LEU 42 -16.118 4.416 3.030 318 HD21 LEU 42 HD21 LEU 42 -16.052 4.995 0.455 319 HD22 LEU 42 HD22 LEU 42 -16.878 3.460 0.718 320 HD23 LEU 42 HD23 LEU 42 -15.614 3.581 -0.507 321 H LYS 43 H LYS 43 -11.814 4.195 -0.725 322 HA LYS 43 HA LYS 43 -12.545 1.688 -1.826 323 HB2 LYS 43 HB3 LYS 43 -10.492 3.704 -2.753 324 HB3 LYS 43 HB2 LYS 43 -11.035 2.339 -3.719 325 HG2 LYS 43 HG3 LYS 43 -13.376 3.181 -3.524 326 HG3 LYS 43 HG2 LYS 43 -12.762 4.597 -2.671 327 HD2 LYS 43 HD3 LYS 43 -11.320 5.109 -4.650 328 HD3 LYS 43 HD2 LYS 43 -12.074 3.762 -5.503 329 HE2 LYS 43 HE3 LYS 43 -13.739 5.138 -6.128 330 HE3 LYS 43 HE2 LYS 43 -14.187 5.312 -4.431 331 HZ1 LYS 43 HZ1 LYS 43 -12.445 7.032 -6.069 332 HZ2 LYS 43 HZ2 LYS 43 -12.273 7.005 -4.382 333 HZ3 LYS 43 HZ3 LYS 43 -13.753 7.468 -5.076 334 H VAL 44 H VAL 44 -9.513 2.829 -0.422 335 HA VAL 44 HA VAL 44 -7.901 0.582 -1.145 336 HB VAL 44 HB VAL 44 -7.694 2.495 1.190 337 HG11 VAL 44 HG11 VAL 44 -6.442 0.468 1.696 338 HG12 VAL 44 HG12 VAL 44 -5.300 1.727 1.226 339 HG13 VAL 44 HG13 VAL 44 -5.734 0.458 0.081 340 HG21 VAL 44 HG21 VAL 44 -6.196 3.730 -0.188 341 HG22 VAL 44 HG22 VAL 44 -7.556 3.336 -1.241 342 HG23 VAL 44 HG23 VAL 44 -6.057 2.412 -1.354 343 H ILE 45 H ILE 45 -9.902 1.220 1.718 344 HA ILE 45 HA ILE 45 -9.117 -1.107 3.158 345 HB ILE 45 HB ILE 45 -11.318 0.870 3.291 346 HG12 ILE 45 HG13 ILE 45 -10.543 1.050 5.576 347 HG13 ILE 45 HG12 ILE 45 -9.615 -0.439 5.428 348 HG21 ILE 45 HG21 ILE 45 -12.372 -0.547 5.143 349 HG22 ILE 45 HG22 ILE 45 -11.501 -1.916 4.455 350 HG23 ILE 45 HG23 ILE 45 -12.705 -1.059 3.489 351 HD11 ILE 45 HD11 ILE 45 -8.490 1.973 5.109 352 HD12 ILE 45 HD12 ILE 45 -9.041 1.717 3.455 353 HD13 ILE 45 HD13 ILE 45 -7.943 0.561 4.206 354 H ALA 46 H ALA 46 -12.008 -0.570 1.109 355 HA ALA 46 HA ALA 46 -13.004 -3.234 1.424 356 HB1 ALA 46 HB1 ALA 46 -13.500 -1.344 -0.880 357 HB2 ALA 46 HB2 ALA 46 -14.337 -1.267 0.672 358 HB3 ALA 46 HB3 ALA 46 -14.531 -2.680 -0.366 359 H TRP 47 H TRP 47 -11.198 -1.816 -1.355 360 HA TRP 47 HA TRP 47 -11.198 -4.366 -2.731 361 HB2 TRP 47 HB3 TRP 47 -10.791 -2.938 -4.409 362 HB3 TRP 47 HB2 TRP 47 -10.312 -1.664 -3.288 363 HD1 TRP 47 HD1 TRP 47 -8.737 -4.987 -4.563 364 HE1 TRP 47 HE1 TRP 47 -6.220 -4.558 -4.944 365 HE3 TRP 47 HE3 TRP 47 -8.476 -0.114 -3.165 366 HZ2 TRP 47 HZ2 TRP 47 -4.343 -2.405 -4.677 367 HZ3 TRP 47 HZ3 TRP 47 -6.323 1.121 -3.226 368 HH2 TRP 47 HH2 TRP 47 -4.256 -0.021 -3.985 369 H LEU 48 H LEU 48 -8.598 -2.579 -1.012 370 HA LEU 48 HA LEU 48 -6.600 -4.529 -1.490 371 HB2 LEU 48 HB3 LEU 48 -6.509 -2.141 -0.330 372 HB3 LEU 48 HB2 LEU 48 -6.652 -3.097 1.141 373 HG LEU 48 HG LEU 48 -4.301 -2.801 0.677 374 HD11 LEU 48 HD11 LEU 48 -3.595 -5.048 0.722 375 HD12 LEU 48 HD12 LEU 48 -4.901 -5.574 -0.338 376 HD13 LEU 48 HD13 LEU 48 -5.246 -5.122 1.333 377 HD21 LEU 48 HD21 LEU 48 -5.156 -2.844 -2.004 378 HD22 LEU 48 HD22 LEU 48 -4.118 -4.257 -1.822 379 HD23 LEU 48 HD23 LEU 48 -3.503 -2.653 -1.425 380 H GLU 49 H GLU 49 -8.948 -4.293 1.225 381 HA GLU 49 HA GLU 49 -7.993 -6.591 2.623 382 HB2 GLU 49 HB3 GLU 49 -10.703 -5.256 2.494 383 HB3 GLU 49 HB2 GLU 49 -10.349 -6.597 3.568 384 HG2 GLU 49 HG3 GLU 49 -10.035 -4.051 4.335 385 HG3 GLU 49 HG2 GLU 49 -9.001 -5.343 4.916 386 H ASP 50 H ASP 50 -10.389 -6.209 0.024 387 HA ASP 50 HA ASP 50 -11.388 -8.875 0.050 388 HB2 ASP 50 HB3 ASP 50 -12.362 -6.926 -1.214 389 HB3 ASP 50 HB2 ASP 50 -11.060 -7.123 -2.385 390 H ARG 51 H ARG 51 -8.551 -7.482 -1.551 391 HA ARG 51 HA ARG 51 -7.904 -9.657 -3.228 392 HB2 ARG 51 HB3 ARG 51 -6.137 -7.667 -1.815 393 HB3 ARG 51 HB2 ARG 51 -5.548 -8.792 -3.030 394 HG2 ARG 51 HG3 ARG 51 -7.806 -6.828 -3.499 395 HG3 ARG 51 HG2 ARG 51 -6.129 -6.521 -3.948 396 HD2 ARG 51 HD3 ARG 51 -6.385 -8.894 -5.137 397 HD3 ARG 51 HD2 ARG 51 -8.090 -8.443 -5.135 398 HE ARG 51 HE ARG 51 -6.883 -6.194 -6.143 399 HH11 ARG 51 HH22 ARG 51 -6.693 -9.573 -6.805 400 HH12 ARG 51 HH21 ARG 51 -6.321 -9.360 -8.484 401 HH21 ARG 51 HH11 ARG 51 -6.395 -5.897 -8.336 402 HH22 ARG 51 HH12 ARG 51 -6.154 -7.280 -9.350 403 H PHE 52 H PHE 52 -7.184 -9.195 0.227 404 HA PHE 52 HA PHE 52 -5.709 -11.762 0.213 405 HB2 PHE 52 HB3 PHE 52 -6.087 -9.610 2.306 406 HB3 PHE 52 HB2 PHE 52 -5.256 -11.131 2.622 407 HD1 PHE 52 HD2 PHE 52 -5.141 -7.949 0.771 408 HD2 PHE 52 HD1 PHE 52 -3.111 -11.648 1.574 409 HE1 PHE 52 HE2 PHE 52 -3.079 -7.044 -0.269 410 HE2 PHE 52 HE1 PHE 52 -1.050 -10.744 0.533 411 HZ PHE 52 HZ PHE 52 -1.034 -8.442 -0.388 412 H GLY 53 H GLY 53 -8.880 -10.738 0.634 413 HA2 GLY 53 HA3 GLY 53 -10.763 -11.980 1.311 414 HA3 GLY 53 HA2 GLY 53 -9.683 -13.343 1.624 415 H ILE 54 H ILE 54 -9.154 -10.175 3.006 416 HA ILE 54 HA ILE 54 -9.745 -11.338 5.688 417 HB ILE 54 HB ILE 54 -8.092 -9.749 6.558 418 HG12 ILE 54 HG13 ILE 54 -7.859 -8.909 3.652 419 HG13 ILE 54 HG12 ILE 54 -8.477 -7.921 4.976 420 HG21 ILE 54 HG21 ILE 54 -7.019 -11.202 4.123 421 HG22 ILE 54 HG22 ILE 54 -7.352 -11.972 5.674 422 HG23 ILE 54 HG23 ILE 54 -6.103 -10.733 5.554 423 HD11 ILE 54 HD11 ILE 54 -6.163 -7.305 4.555 424 HD12 ILE 54 HD12 ILE 54 -5.658 -8.989 4.681 425 HD13 ILE 54 HD13 ILE 54 -6.255 -8.139 6.106 426 H ALA 55 H ALA 55 -10.780 -9.922 7.248 427 HA ALA 55 HA ALA 55 -12.571 -7.958 5.936 428 HB1 ALA 55 HB1 ALA 55 -12.819 -8.472 8.846 429 HB2 ALA 55 HB2 ALA 55 -13.098 -9.865 7.801 430 HB3 ALA 55 HB3 ALA 55 -14.070 -8.405 7.603 431 H ALA 56 H ALA 56 -12.278 -5.785 6.179 432 HA ALA 56 HA ALA 56 -9.926 -4.738 7.434 433 HB1 ALA 56 HB1 ALA 56 -12.001 -2.741 7.210 434 HB2 ALA 56 HB2 ALA 56 -11.981 -3.753 5.766 435 HB3 ALA 56 HB3 ALA 56 -10.518 -2.906 6.270 436 H ASP 57 H ASP 57 -13.230 -5.192 8.553 437 HA ASP 57 HA ASP 57 -13.186 -3.545 10.848 438 HB2 ASP 57 HB3 ASP 57 -14.572 -6.179 10.343 439 HB3 ASP 57 HB2 ASP 57 -14.895 -5.157 11.738 440 H ASP 58 H ASP 58 -11.876 -6.780 10.324 441 HA ASP 58 HA ASP 58 -11.388 -7.560 12.977 442 HB2 ASP 58 HB3 ASP 58 -9.718 -8.004 10.501 443 HB3 ASP 58 HB2 ASP 58 -9.427 -8.824 12.033 444 H VAL 59 H VAL 59 -9.520 -5.352 10.930 445 HA VAL 59 HA VAL 59 -8.055 -4.496 13.390 446 HB VAL 59 HB VAL 59 -6.597 -5.952 11.972 447 HG11 VAL 59 HG11 VAL 59 -6.310 -3.861 9.909 448 HG12 VAL 59 HG12 VAL 59 -7.849 -4.722 9.867 449 HG13 VAL 59 HG13 VAL 59 -6.333 -5.616 9.737 450 HG21 VAL 59 HG21 VAL 59 -4.953 -4.667 12.819 451 HG22 VAL 59 HG22 VAL 59 -6.074 -3.312 12.956 452 HG23 VAL 59 HG23 VAL 59 -5.147 -3.544 11.474 453 H GLU 60 H GLU 60 -7.722 -2.263 13.533 454 HA GLU 60 HA GLU 60 -9.149 -0.653 11.475 455 HB2 GLU 60 HB3 GLU 60 -9.794 -0.406 13.887 456 HB3 GLU 60 HB2 GLU 60 -8.173 0.194 14.217 457 HG2 GLU 60 HG3 GLU 60 -8.542 1.999 12.550 458 HG3 GLU 60 HG2 GLU 60 -10.195 1.431 12.344 459 H LEU 61 H LEU 61 -7.986 0.603 10.093 460 HA LEU 61 HA LEU 61 -5.075 0.902 10.606 461 HB2 LEU 61 HB3 LEU 61 -6.626 1.269 8.030 462 HB3 LEU 61 HB2 LEU 61 -4.879 1.236 8.208 463 HG LEU 61 HG LEU 61 -6.773 -1.048 8.762 464 HD11 LEU 61 HD11 LEU 61 -4.715 -0.497 6.616 465 HD12 LEU 61 HD12 LEU 61 -6.436 -0.817 6.403 466 HD13 LEU 61 HD13 LEU 61 -5.356 -2.110 6.928 467 HD21 LEU 61 HD21 LEU 61 -5.092 -1.412 10.332 468 HD22 LEU 61 HD22 LEU 61 -3.867 -0.600 9.358 469 HD23 LEU 61 HD23 LEU 61 -4.409 -2.221 8.922 470 H SER 62 H SER 62 -4.141 2.983 10.578 471 HA SER 62 HA SER 62 -6.081 5.211 10.768 472 HB2 SER 62 HB3 SER 62 -4.728 5.823 12.473 473 HB3 SER 62 HB2 SER 62 -3.572 4.562 12.057 474 HG SER 62 HG SER 62 -2.693 5.978 10.511 475 HA PRO 63 HA PRO 63 -5.149 6.783 6.762 476 HB2 PRO 63 HB2 PRO 63 -4.758 9.492 7.401 477 HB3 PRO 63 HB3 PRO 63 -6.306 8.725 7.013 478 HG2 PRO 63 HG3 PRO 63 -5.146 9.421 9.645 479 HG3 PRO 63 HG2 PRO 63 -6.838 9.390 9.124 480 HD2 PRO 63 HD3 PRO 63 -5.788 7.462 10.712 481 HD3 PRO 63 HD2 PRO 63 -7.060 7.112 9.519 482 H GLU 64 H GLU 64 -2.954 7.428 9.403 483 HA GLU 64 HA GLU 64 -0.812 8.538 7.820 484 HB2 GLU 64 HB3 GLU 64 -0.734 7.142 10.499 485 HB3 GLU 64 HB2 GLU 64 0.550 8.129 9.822 486 HG2 GLU 64 HG3 GLU 64 -1.023 10.052 9.753 487 HG3 GLU 64 HG2 GLU 64 -2.228 9.049 10.554 488 H HIS 65 H HIS 65 -1.838 5.290 8.651 489 HA HIS 65 HA HIS 65 0.618 3.996 7.955 490 HB2 HIS 65 HB3 HIS 65 -1.133 2.802 9.196 491 HB3 HIS 65 HB2 HIS 65 -2.214 2.930 7.805 492 HD1 HIS 65 HD1 HIS 65 1.431 1.851 8.168 493 HD2 HIS 65 HD2 HIS 65 -2.143 0.523 6.480 494 HE1 HIS 65 HE1 HIS 65 1.964 -0.315 6.967 495 HE2 HIS 65 HE2 HIS 65 -0.199 -1.119 5.919 496 H PHE 66 H PHE 66 -1.891 5.432 6.088 497 HA PHE 66 HA PHE 66 -1.169 3.974 3.649 498 HB2 PHE 66 HB3 PHE 66 -3.015 6.352 4.002 499 HB3 PHE 66 HB2 PHE 66 -2.908 5.314 2.583 500 HD1 PHE 66 HD2 PHE 66 -3.606 5.213 6.250 501 HD2 PHE 66 HD1 PHE 66 -4.211 3.361 2.426 502 HE1 PHE 66 HE2 PHE 66 -5.232 3.641 7.270 503 HE2 PHE 66 HE1 PHE 66 -5.834 1.789 3.448 504 HZ PHE 66 HZ PHE 66 -6.342 1.934 5.868 505 H ARG 67 H ARG 67 0.535 6.006 5.278 506 HA ARG 67 HA ARG 67 1.084 8.307 3.779 507 HB2 ARG 67 HB3 ARG 67 3.275 8.253 4.840 508 HB3 ARG 67 HB2 ARG 67 2.063 7.722 5.998 509 HG2 ARG 67 HG3 ARG 67 2.729 5.355 4.803 510 HG3 ARG 67 HG2 ARG 67 4.270 6.207 4.763 511 HD2 ARG 67 HD3 ARG 67 3.700 6.776 7.264 512 HD3 ARG 67 HD2 ARG 67 2.615 5.393 7.129 513 HE ARG 67 HE ARG 67 5.030 4.448 6.147 514 HH11 ARG 67 HH22 ARG 67 3.916 6.029 9.001 515 HH12 ARG 67 HH21 ARG 67 5.081 5.273 10.036 516 HH21 ARG 67 HH11 ARG 67 6.556 3.448 7.485 517 HH22 ARG 67 HH12 ARG 67 6.576 3.813 9.177 518 H SER 68 H SER 68 2.117 4.962 3.184 519 HA SER 68 HA SER 68 2.903 5.777 0.456 520 HB2 SER 68 HB3 SER 68 4.971 5.996 1.820 521 HB3 SER 68 HB2 SER 68 4.816 4.306 2.292 522 HG SER 68 HG SER 68 5.942 5.299 0.122 523 H ILE 69 H ILE 69 2.924 4.012 -1.019 524 HA ILE 69 HA ILE 69 1.056 1.939 -0.543 525 HB ILE 69 HB ILE 69 3.287 1.719 -2.555 526 HG12 ILE 69 HG13 ILE 69 1.315 3.074 -3.878 527 HG13 ILE 69 HG12 ILE 69 1.236 3.824 -2.285 528 HG21 ILE 69 HG21 ILE 69 0.354 0.984 -2.496 529 HG22 ILE 69 HG22 ILE 69 1.728 -0.121 -2.500 530 HG23 ILE 69 HG23 ILE 69 1.373 0.848 -3.929 531 HD11 ILE 69 HD11 ILE 69 3.518 3.764 -4.233 532 HD12 ILE 69 HD12 ILE 69 3.857 3.912 -2.510 533 HD13 ILE 69 HD13 ILE 69 2.872 5.127 -3.321 534 H ARG 70 H ARG 70 4.590 1.979 -0.354 535 HA ARG 70 HA ARG 70 5.047 -0.787 -0.011 536 HB2 ARG 70 HB3 ARG 70 7.145 -0.077 1.131 537 HB3 ARG 70 HB2 ARG 70 6.865 0.806 -0.371 538 HG2 ARG 70 HG3 ARG 70 5.662 2.547 1.123 539 HG3 ARG 70 HG2 ARG 70 6.486 1.759 2.464 540 HD2 ARG 70 HD3 ARG 70 7.964 2.750 0.017 541 HD3 ARG 70 HD2 ARG 70 7.691 3.765 1.432 542 HE ARG 70 HE ARG 70 8.896 1.179 2.069 543 HH11 ARG 70 HH22 ARG 70 9.358 4.455 1.098 544 HH12 ARG 70 HH21 ARG 70 10.981 4.543 1.699 545 HH21 ARG 70 HH11 ARG 70 11.013 1.276 2.860 546 HH22 ARG 70 HH12 ARG 70 11.917 2.744 2.697 547 H SER 71 H SER 71 4.244 1.694 2.408 548 HA SER 71 HA SER 71 4.538 -0.006 4.689 549 HB2 SER 71 HB3 SER 71 3.377 1.709 5.892 550 HB3 SER 71 HB2 SER 71 4.336 2.528 4.666 551 HG SER 71 HG SER 71 1.666 2.491 5.013 552 H ILE 72 H ILE 72 1.699 0.752 2.656 553 HA ILE 72 HA ILE 72 -0.202 -0.696 4.187 554 HB ILE 72 HB ILE 72 -0.133 -0.214 1.199 555 HG12 ILE 72 HG13 ILE 72 -1.397 1.388 3.450 556 HG13 ILE 72 HG12 ILE 72 0.064 1.849 2.576 557 HG21 ILE 72 HG21 ILE 72 -1.755 -1.928 1.851 558 HG22 ILE 72 HG22 ILE 72 -2.593 -0.444 1.400 559 HG23 ILE 72 HG23 ILE 72 -2.397 -0.867 3.101 560 HD11 ILE 72 HD11 ILE 72 -1.595 3.031 1.422 561 HD12 ILE 72 HD12 ILE 72 -2.768 1.724 1.578 562 HD13 ILE 72 HD13 ILE 72 -1.425 1.572 0.446 563 H ASP 73 H ASP 73 1.754 -1.736 1.395 564 HA ASP 73 HA ASP 73 0.733 -4.387 1.261 565 HB2 ASP 73 HB3 ASP 73 2.279 -3.148 -0.389 566 HB3 ASP 73 HB2 ASP 73 3.599 -3.656 0.658 567 H ALA 74 H ALA 74 3.339 -2.982 3.209 568 HA ALA 74 HA ALA 74 4.323 -5.478 4.221 569 HB1 ALA 74 HB1 ALA 74 5.066 -2.808 4.390 570 HB2 ALA 74 HB2 ALA 74 5.860 -4.156 5.207 571 HB3 ALA 74 HB3 ALA 74 4.622 -3.222 6.047 572 H PHE 75 H PHE 75 2.028 -3.107 5.597 573 HA PHE 75 HA PHE 75 1.577 -4.621 7.995 574 HB2 PHE 75 HB3 PHE 75 0.979 -2.224 7.712 575 HB3 PHE 75 HB2 PHE 75 -0.335 -2.707 6.649 576 HD1 PHE 75 HD2 PHE 75 0.921 -2.720 10.107 577 HD2 PHE 75 HD1 PHE 75 -2.297 -3.886 7.513 578 HE1 PHE 75 HE2 PHE 75 -0.509 -3.164 12.082 579 HE2 PHE 75 HE1 PHE 75 -3.728 -4.332 9.489 580 HZ PHE 75 HZ PHE 75 -2.834 -3.971 11.774 581 H VAL 76 H VAL 76 -0.148 -4.490 4.885 582 HA VAL 76 HA VAL 76 -2.215 -6.321 5.579 583 HB VAL 76 HB VAL 76 -0.894 -5.678 2.930 584 HG11 VAL 76 HG11 VAL 76 -3.314 -6.694 2.276 585 HG12 VAL 76 HG12 VAL 76 -2.943 -7.678 3.691 586 HG13 VAL 76 HG13 VAL 76 -1.840 -7.660 2.317 587 HG21 VAL 76 HG21 VAL 76 -2.581 -4.111 2.654 588 HG22 VAL 76 HG22 VAL 76 -2.403 -4.046 4.407 589 HG23 VAL 76 HG23 VAL 76 -3.708 -4.989 3.687 590 H VAL 77 H VAL 77 1.008 -6.865 4.116 591 HA VAL 77 HA VAL 77 0.699 -9.726 3.960 592 HB VAL 77 HB VAL 77 3.125 -7.914 3.979 593 HG11 VAL 77 HG11 VAL 77 4.137 -9.870 4.638 594 HG12 VAL 77 HG12 VAL 77 4.059 -10.174 2.903 595 HG13 VAL 77 HG13 VAL 77 2.853 -10.880 3.977 596 HG21 VAL 77 HG21 VAL 77 1.494 -7.853 2.035 597 HG22 VAL 77 HG22 VAL 77 1.895 -9.545 1.741 598 HG23 VAL 77 HG23 VAL 77 3.142 -8.306 1.601 599 H GLY 78 H GLY 78 2.116 -7.510 6.337 600 HA2 GLY 78 HA3 GLY 78 3.208 -9.453 8.096 601 HA3 GLY 78 HA2 GLY 78 2.697 -7.837 8.578 602 H ALA 79 H ALA 79 -0.091 -8.363 7.623 603 HA ALA 79 HA ALA 79 -1.151 -9.331 10.110 604 HB1 ALA 79 HB1 ALA 79 -3.267 -8.896 9.201 605 HB2 ALA 79 HB2 ALA 79 -2.750 -9.298 7.563 606 HB3 ALA 79 HB3 ALA 79 -2.235 -7.782 8.303 607 H THR 80 H THR 80 -0.638 -10.866 6.956 608 HA THR 80 HA THR 80 -1.928 -13.348 7.836 609 HB THR 80 HB THR 80 -1.338 -14.201 5.640 610 HG1 THR 80 HG1 THR 80 0.782 -13.161 5.705 611 HG21 THR 80 HG21 THR 80 -2.693 -12.796 4.386 612 HG22 THR 80 HG22 THR 80 -1.967 -11.333 5.051 613 HG23 THR 80 HG23 THR 80 -3.105 -12.269 6.018 614 H THR 81 H THR 81 1.313 -12.039 7.573 615 HA THR 81 HA THR 81 2.313 -14.497 8.908 616 HB THR 81 HB THR 81 4.477 -13.700 7.479 617 HG1 THR 81 HG1 THR 81 3.808 -12.402 5.991 618 HG21 THR 81 HG21 THR 81 3.551 -15.983 7.621 619 HG22 THR 81 HG22 THR 81 3.938 -15.556 5.955 620 HG23 THR 81 HG23 THR 81 2.264 -15.521 6.507 621 HA PRO 82 HA PRO 82 4.110 -11.694 11.817 622 HB2 PRO 82 HB2 PRO 82 6.454 -13.019 12.432 623 HB3 PRO 82 HB3 PRO 82 4.863 -13.444 13.088 624 HG2 PRO 82 HG3 PRO 82 6.396 -14.702 10.876 625 HG3 PRO 82 HG2 PRO 82 5.364 -15.448 12.106 626 HD2 PRO 82 HD3 PRO 82 4.538 -15.058 9.534 627 HD3 PRO 82 HD2 PRO 82 3.419 -15.047 10.916 628 HA PRO 83 HA PRO 83 6.944 -9.640 8.883 629 HB2 PRO 83 HB2 PRO 83 6.617 -7.103 9.815 630 HB3 PRO 83 HB3 PRO 83 5.475 -7.895 8.717 631 HG2 PRO 83 HG3 PRO 83 5.274 -7.405 11.629 632 HG3 PRO 83 HG2 PRO 83 4.003 -7.446 10.399 633 HD2 PRO 83 HD3 PRO 83 4.570 -9.510 12.184 634 HD3 PRO 83 HD2 PRO 83 3.657 -9.694 10.671 635 H VAL 84 H VAL 84 9.017 -8.706 9.036 636 HA VAL 84 HA VAL 84 10.240 -8.865 11.755 637 HB VAL 84 HB VAL 84 12.391 -9.044 10.560 638 HG11 VAL 84 HG11 VAL 84 10.142 -10.895 9.781 639 HG12 VAL 84 HG12 VAL 84 11.433 -11.163 10.952 640 HG13 VAL 84 HG13 VAL 84 11.790 -11.190 9.225 641 HG21 VAL 84 HG21 VAL 84 12.312 -9.291 8.054 642 HG22 VAL 84 HG22 VAL 84 11.915 -7.668 8.619 643 HG23 VAL 84 HG23 VAL 84 10.631 -8.763 8.106 644 H GLU 85 H GLU 85 11.104 -7.007 12.661 645 HA GLU 85 HA GLU 85 11.246 -4.661 12.948 646 HB2 GLU 85 HB3 GLU 85 12.582 -5.027 10.246 647 HB3 GLU 85 HB2 GLU 85 12.753 -3.609 11.280 648 HG2 GLU 85 HG3 GLU 85 13.669 -5.061 13.079 649 HG3 GLU 85 HG2 GLU 85 13.564 -6.444 11.989 650 H ALA 86 H ALA 86 8.786 -4.699 12.563 651 HA ALA 86 HA ALA 86 7.506 -4.148 10.154 652 HB1 ALA 86 HB1 ALA 86 6.980 -3.342 12.989 653 HB2 ALA 86 HB2 ALA 86 6.019 -4.364 11.919 654 HB3 ALA 86 HB3 ALA 86 6.007 -2.612 11.712 655 H LYS 87 H LYS 87 7.014 -2.243 8.997 656 HA LYS 87 HA LYS 87 9.064 -0.314 8.714 657 HB2 LYS 87 HB3 LYS 87 7.261 -0.806 7.034 658 HB3 LYS 87 HB2 LYS 87 6.125 0.064 8.063 659 HG2 LYS 87 HG3 LYS 87 7.584 2.086 7.896 660 HG3 LYS 87 HG2 LYS 87 8.616 1.208 6.766 661 HD2 LYS 87 HD3 LYS 87 6.589 0.839 5.315 662 HD3 LYS 87 HD2 LYS 87 5.692 1.908 6.392 663 HE2 LYS 87 HE3 LYS 87 6.543 3.142 4.428 664 HE3 LYS 87 HE2 LYS 87 7.284 3.732 5.916 665 HZ1 LYS 87 HZ1 LYS 87 8.877 1.656 5.060 666 HZ2 LYS 87 HZ2 LYS 87 9.235 3.313 4.985 667 HZ3 LYS 87 HZ3 LYS 87 8.514 2.539 3.655 668 H LEU 88 H LEU 88 6.135 -0.289 10.703 669 HA LEU 88 HA LEU 88 6.880 2.397 11.747 670 HB2 LEU 88 HB3 LEU 88 4.512 1.972 11.030 671 HB3 LEU 88 HB2 LEU 88 4.393 0.748 12.293 672 HG LEU 88 HG LEU 88 5.053 2.527 13.963 673 HD11 LEU 88 HD11 LEU 88 4.216 4.834 12.613 674 HD12 LEU 88 HD12 LEU 88 5.313 4.038 11.486 675 HD13 LEU 88 HD13 LEU 88 5.864 4.452 13.108 676 HD21 LEU 88 HD21 LEU 88 2.785 2.148 14.096 677 HD22 LEU 88 HD22 LEU 88 2.527 2.459 12.379 678 HD23 LEU 88 HD23 LEU 88 2.737 3.806 13.497 679 H GLN 89 H GLN 89 7.793 2.586 13.750 680 HA GLN 89 HA GLN 89 8.472 0.170 15.233 681 HB2 GLN 89 HB3 GLN 89 9.635 1.688 16.758 682 HB3 GLN 89 HB2 GLN 89 9.994 2.142 15.092 683 HG2 GLN 89 HG3 GLN 89 8.212 3.873 15.202 684 HG3 GLN 89 HG2 GLN 89 7.936 3.452 16.893 685 HE21 GLN 89 HE22 GLN 89 9.417 4.261 18.464 686 HE22 GLN 89 HE21 GLN 89 10.734 5.258 18.072 Start of MODEL 20 1 H1 SER -1 H1 SER -1 13.861 -5.395 -1.440 2 H2 SER -1 H2 SER -1 14.954 -4.409 -2.289 3 H3 SER -1 H3 SER -1 14.248 -5.753 -3.052 4 HA SER -1 HA SER -1 12.810 -3.325 -2.126 5 HB2 SER -1 HB3 SER -1 13.686 -2.555 -4.094 6 HB3 SER -1 HB2 SER -1 14.030 -4.176 -4.690 7 HG SER -1 HG SER -1 12.126 -2.690 -5.504 8 H GLU 0 H GLU 0 10.621 -3.421 -3.549 9 HA GLU 0 HA GLU 0 8.510 -4.451 -3.625 10 HB2 GLU 0 HB3 GLU 0 9.713 -5.614 -5.492 11 HB3 GLU 0 HB2 GLU 0 10.171 -6.882 -4.354 12 HG2 GLU 0 HG3 GLU 0 7.755 -7.277 -3.875 13 HG3 GLU 0 HG2 GLU 0 7.345 -6.082 -5.105 14 H MET 1 H MET 1 7.669 -4.586 -1.572 15 HA MET 1 HA MET 1 8.711 -6.089 0.594 16 HB2 MET 1 HB3 MET 1 5.854 -5.261 -0.049 17 HB3 MET 1 HB2 MET 1 6.376 -5.895 1.517 18 HG2 MET 1 HG3 MET 1 7.499 -3.415 0.180 19 HG3 MET 1 HG2 MET 1 6.331 -3.416 1.498 20 HE1 MET 1 HE1 MET 1 7.958 -4.629 4.516 21 HE2 MET 1 HE2 MET 1 7.686 -5.999 3.430 22 HE3 MET 1 HE3 MET 1 6.535 -4.665 3.478 23 H GLN 2 H GLN 2 6.266 -6.922 -1.812 24 HA GLN 2 HA GLN 2 6.889 -9.657 -2.087 25 HB2 GLN 2 HB3 GLN 2 6.136 -9.872 0.293 26 HB3 GLN 2 HB2 GLN 2 4.584 -9.171 -0.152 27 HG2 GLN 2 HG3 GLN 2 4.316 -11.564 -0.128 28 HG3 GLN 2 HG2 GLN 2 4.318 -11.057 -1.817 29 HE21 GLN 2 HE22 GLN 2 5.310 -12.852 -2.831 30 HE22 GLN 2 HE21 GLN 2 6.849 -13.439 -2.417 31 H HIS 3 H HIS 3 3.657 -8.396 -1.440 32 HA HIS 3 HA HIS 3 3.035 -8.619 -4.345 33 HB2 HIS 3 HB3 HIS 3 1.210 -8.360 -1.923 34 HB3 HIS 3 HB2 HIS 3 0.660 -8.492 -3.593 35 HD1 HIS 3 HD1 HIS 3 2.156 -10.488 -0.797 36 HD2 HIS 3 HD2 HIS 3 0.978 -11.091 -4.753 37 HE1 HIS 3 HE1 HIS 3 2.153 -12.995 -1.172 38 HE2 HIS 3 HE2 HIS 3 1.437 -13.372 -3.576 39 H ALA 4 H ALA 4 4.460 -6.491 -2.610 40 HA ALA 4 HA ALA 4 2.984 -4.140 -2.344 41 HB1 ALA 4 HB1 ALA 4 5.532 -3.419 -3.390 42 HB2 ALA 4 HB2 ALA 4 5.748 -4.873 -2.417 43 HB3 ALA 4 HB3 ALA 4 5.016 -3.436 -1.703 44 H SER 5 H SER 5 4.523 -5.461 -5.267 45 HA SER 5 HA SER 5 4.084 -3.232 -6.975 46 HB2 SER 5 HB3 SER 5 4.021 -6.164 -7.740 47 HB3 SER 5 HB2 SER 5 4.330 -4.808 -8.820 48 HG SER 5 HG SER 5 6.266 -5.788 -8.100 49 H VAL 6 H VAL 6 1.961 -5.923 -6.076 50 HA VAL 6 HA VAL 6 -0.127 -5.362 -7.942 51 HB VAL 6 HB VAL 6 -0.168 -6.643 -5.210 52 HG11 VAL 6 HG11 VAL 6 -2.360 -6.136 -7.209 53 HG12 VAL 6 HG12 VAL 6 -2.391 -5.933 -5.457 54 HG13 VAL 6 HG13 VAL 6 -2.421 -7.552 -6.157 55 HG21 VAL 6 HG21 VAL 6 0.379 -8.547 -6.301 56 HG22 VAL 6 HG22 VAL 6 0.774 -7.526 -7.683 57 HG23 VAL 6 HG23 VAL 6 -0.828 -8.253 -7.552 58 H ILE 7 H ILE 7 0.453 -4.212 -4.639 59 HA ILE 7 HA ILE 7 -1.934 -2.697 -4.331 60 HB ILE 7 HB ILE 7 0.834 -2.086 -3.257 61 HG12 ILE 7 HG13 ILE 7 -1.424 -3.649 -1.967 62 HG13 ILE 7 HG12 ILE 7 -0.061 -4.408 -2.792 63 HG21 ILE 7 HG21 ILE 7 -1.924 -1.303 -2.263 64 HG22 ILE 7 HG22 ILE 7 -0.776 -0.219 -3.048 65 HG23 ILE 7 HG23 ILE 7 -0.397 -0.915 -1.472 66 HD11 ILE 7 HD11 ILE 7 1.338 -2.805 -1.184 67 HD12 ILE 7 HD12 ILE 7 0.769 -4.381 -0.640 68 HD13 ILE 7 HD13 ILE 7 -0.120 -2.923 -0.200 69 H ALA 8 H ALA 8 1.215 -1.848 -5.735 70 HA ALA 8 HA ALA 8 0.646 0.905 -6.213 71 HB1 ALA 8 HB1 ALA 8 2.853 -0.591 -6.489 72 HB2 ALA 8 HB2 ALA 8 2.647 0.935 -7.353 73 HB3 ALA 8 HB3 ALA 8 2.323 -0.594 -8.172 74 H GLN 9 H GLN 9 0.002 -2.010 -8.152 75 HA GLN 9 HA GLN 9 -0.882 -0.657 -10.506 76 HB2 GLN 9 HB3 GLN 9 -1.726 -3.335 -9.364 77 HB3 GLN 9 HB2 GLN 9 -2.124 -2.772 -10.987 78 HG2 GLN 9 HG3 GLN 9 0.313 -2.525 -11.459 79 HG3 GLN 9 HG2 GLN 9 0.660 -3.210 -9.871 80 HE21 GLN 9 HE22 GLN 9 0.423 -5.492 -9.597 81 HE22 GLN 9 HE21 GLN 9 0.027 -6.539 -10.872 82 H PHE 10 H PHE 10 -2.644 -1.688 -7.589 83 HA PHE 10 HA PHE 10 -5.238 -0.894 -8.492 84 HB2 PHE 10 HB3 PHE 10 -4.000 -1.231 -5.771 85 HB3 PHE 10 HB2 PHE 10 -5.628 -0.573 -5.930 86 HD1 PHE 10 HD1 PHE 10 -7.366 -1.909 -7.220 87 HD2 PHE 10 HD2 PHE 10 -3.603 -3.566 -5.975 88 HE1 PHE 10 HE1 PHE 10 -8.279 -4.196 -7.506 89 HE2 PHE 10 HE2 PHE 10 -4.517 -5.854 -6.264 90 HZ PHE 10 HZ PHE 10 -6.854 -6.168 -7.026 91 H VAL 11 H VAL 11 -2.694 0.889 -6.781 92 HA VAL 11 HA VAL 11 -4.147 3.307 -6.380 93 HB VAL 11 HB VAL 11 -1.198 2.748 -6.758 94 HG11 VAL 11 HG11 VAL 11 -1.080 4.971 -7.252 95 HG12 VAL 11 HG12 VAL 11 -1.301 5.166 -5.512 96 HG13 VAL 11 HG13 VAL 11 -2.684 5.303 -6.598 97 HG21 VAL 11 HG21 VAL 11 -2.619 3.682 -4.269 98 HG22 VAL 11 HG22 VAL 11 -1.084 2.825 -4.406 99 HG23 VAL 11 HG23 VAL 11 -2.599 1.973 -4.704 100 H VAL 12 H VAL 12 -2.062 2.258 -9.065 101 HA VAL 12 HA VAL 12 -2.289 4.648 -10.608 102 HB VAL 12 HB VAL 12 -1.825 1.781 -11.451 103 HG11 VAL 12 HG11 VAL 12 -2.573 3.171 -13.352 104 HG12 VAL 12 HG12 VAL 12 -0.874 2.739 -13.505 105 HG13 VAL 12 HG13 VAL 12 -1.323 4.356 -12.968 106 HG21 VAL 12 HG21 VAL 12 0.533 3.175 -11.704 107 HG22 VAL 12 HG22 VAL 12 0.111 2.154 -10.330 108 HG23 VAL 12 HG23 VAL 12 -0.168 3.894 -10.255 109 H GLU 13 H GLU 13 -4.147 1.609 -10.712 110 HA GLU 13 HA GLU 13 -5.929 2.543 -12.785 111 HB2 GLU 13 HB3 GLU 13 -6.234 0.281 -10.802 112 HB3 GLU 13 HB2 GLU 13 -7.210 0.513 -12.247 113 HG2 GLU 13 HG3 GLU 13 -5.140 0.396 -13.623 114 HG3 GLU 13 HG2 GLU 13 -4.230 0.042 -12.159 115 H GLU 14 H GLU 14 -5.763 3.063 -9.399 116 HA GLU 14 HA GLU 14 -8.537 3.330 -8.788 117 HB2 GLU 14 HB3 GLU 14 -6.677 3.250 -7.104 118 HB3 GLU 14 HB2 GLU 14 -6.252 4.898 -7.566 119 HG2 GLU 14 HG3 GLU 14 -8.574 5.617 -6.985 120 HG3 GLU 14 HG2 GLU 14 -8.904 3.980 -6.416 121 H PHE 15 H PHE 15 -6.258 5.570 -10.306 122 HA PHE 15 HA PHE 15 -8.563 7.259 -11.048 123 HB2 PHE 15 HB3 PHE 15 -7.726 8.139 -8.850 124 HB3 PHE 15 HB2 PHE 15 -6.172 8.454 -9.622 125 HD1 PHE 15 HD2 PHE 15 -9.801 9.278 -9.742 126 HD2 PHE 15 HD1 PHE 15 -5.843 10.364 -11.008 127 HE1 PHE 15 HE2 PHE 15 -10.672 11.427 -10.620 128 HE2 PHE 15 HE1 PHE 15 -6.713 12.512 -11.887 129 HZ PHE 15 HZ PHE 15 -9.128 13.045 -11.693 130 H LEU 16 H LEU 16 -5.166 6.418 -11.398 131 HA LEU 16 HA LEU 16 -5.180 7.792 -14.058 132 HB2 LEU 16 HB3 LEU 16 -3.153 7.640 -11.891 133 HB3 LEU 16 HB2 LEU 16 -2.557 7.538 -13.546 134 HG LEU 16 HG LEU 16 -4.522 9.669 -12.732 135 HD11 LEU 16 HD11 LEU 16 -2.647 11.174 -12.296 136 HD12 LEU 16 HD12 LEU 16 -1.497 9.882 -12.638 137 HD13 LEU 16 HD13 LEU 16 -2.541 9.782 -11.220 138 HD21 LEU 16 HD21 LEU 16 -2.400 10.188 -14.712 139 HD22 LEU 16 HD22 LEU 16 -4.132 10.502 -14.813 140 HD23 LEU 16 HD23 LEU 16 -3.506 8.892 -15.167 141 HA PRO 17 HA PRO 17 -4.535 3.255 -14.742 142 HB2 PRO 17 HB2 PRO 17 -6.336 2.990 -16.778 143 HB3 PRO 17 HB3 PRO 17 -6.774 2.852 -15.065 144 HG2 PRO 17 HG3 PRO 17 -7.218 5.082 -16.954 145 HG3 PRO 17 HG2 PRO 17 -8.195 4.549 -15.579 146 HD2 PRO 17 HD3 PRO 17 -6.465 6.741 -15.577 147 HD3 PRO 17 HD2 PRO 17 -7.098 5.932 -14.130 148 H ASP 18 H ASP 18 -4.253 6.082 -16.677 149 HA ASP 18 HA ASP 18 -3.046 4.632 -18.950 150 HB2 ASP 18 HB3 ASP 18 -3.640 7.550 -18.458 151 HB3 ASP 18 HB2 ASP 18 -2.860 6.945 -19.915 152 H VAL 19 H VAL 19 -1.911 5.315 -16.025 153 HA VAL 19 HA VAL 19 0.721 6.353 -16.999 154 HB VAL 19 HB VAL 19 -0.361 6.258 -14.168 155 HG11 VAL 19 HG11 VAL 19 1.754 6.728 -13.560 156 HG12 VAL 19 HG12 VAL 19 1.716 8.170 -14.574 157 HG13 VAL 19 HG13 VAL 19 2.267 6.636 -15.245 158 HG21 VAL 19 HG21 VAL 19 -0.025 8.639 -16.016 159 HG22 VAL 19 HG22 VAL 19 -0.744 8.638 -14.406 160 HG23 VAL 19 HG23 VAL 19 -1.564 7.825 -15.738 161 H ALA 20 H ALA 20 2.540 5.081 -16.740 162 HA ALA 20 HA ALA 20 2.136 2.268 -16.106 163 HB1 ALA 20 HB1 ALA 20 3.716 3.093 -17.866 164 HB2 ALA 20 HB2 ALA 20 4.472 2.008 -16.698 165 HB3 ALA 20 HB3 ALA 20 4.732 3.748 -16.581 166 HA PRO 21 HA PRO 21 2.800 3.041 -11.659 167 HB2 PRO 21 HB2 PRO 21 3.289 0.119 -11.597 168 HB3 PRO 21 HB3 PRO 21 2.146 1.092 -10.652 169 HG2 PRO 21 HG3 PRO 21 1.391 -0.526 -12.674 170 HG3 PRO 21 HG2 PRO 21 0.517 0.946 -12.225 171 HD2 PRO 21 HD3 PRO 21 2.225 0.434 -14.595 172 HD3 PRO 21 HD2 PRO 21 0.909 1.606 -14.373 173 H ALA 22 H ALA 22 4.933 1.304 -13.823 174 HA ALA 22 HA ALA 22 7.150 0.961 -12.044 175 HB1 ALA 22 HB1 ALA 22 6.748 0.027 -14.460 176 HB2 ALA 22 HB2 ALA 22 8.394 0.395 -13.947 177 HB3 ALA 22 HB3 ALA 22 7.517 1.528 -14.976 178 H ASP 23 H ASP 23 5.895 3.730 -13.737 179 HA ASP 23 HA ASP 23 8.353 5.300 -13.454 180 HB2 ASP 23 HB3 ASP 23 6.697 5.675 -15.304 181 HB3 ASP 23 HB2 ASP 23 5.546 6.251 -14.098 182 H VAL 24 H VAL 24 6.233 4.186 -11.235 183 HA VAL 24 HA VAL 24 6.279 6.698 -9.607 184 HB VAL 24 HB VAL 24 4.657 4.205 -9.066 185 HG11 VAL 24 HG11 VAL 24 4.068 7.044 -8.239 186 HG12 VAL 24 HG12 VAL 24 5.149 6.023 -7.290 187 HG13 VAL 24 HG13 VAL 24 3.468 5.545 -7.531 188 HG21 VAL 24 HG21 VAL 24 2.750 5.513 -10.078 189 HG22 VAL 24 HG22 VAL 24 3.970 5.016 -11.250 190 HG23 VAL 24 HG23 VAL 24 3.934 6.681 -10.668 191 H ASP 25 H ASP 25 7.500 6.704 -7.747 192 HA ASP 25 HA ASP 25 9.093 4.284 -7.177 193 HB2 ASP 25 HB3 ASP 25 10.113 6.589 -7.214 194 HB3 ASP 25 HB2 ASP 25 9.151 6.979 -5.787 195 H VAL 26 H VAL 26 8.321 2.811 -5.729 196 HA VAL 26 HA VAL 26 6.059 3.421 -4.017 197 HB VAL 26 HB VAL 26 6.363 1.128 -3.189 198 HG11 VAL 26 HG11 VAL 26 5.724 1.874 -5.765 199 HG12 VAL 26 HG12 VAL 26 5.506 0.257 -5.097 200 HG13 VAL 26 HG13 VAL 26 6.957 0.641 -6.024 201 HG21 VAL 26 HG21 VAL 26 8.810 1.106 -3.062 202 HG22 VAL 26 HG22 VAL 26 8.920 1.221 -4.818 203 HG23 VAL 26 HG23 VAL 26 8.254 -0.231 -4.068 204 H ASP 27 H ASP 27 9.152 4.410 -3.775 205 HA ASP 27 HA ASP 27 9.499 3.899 -0.888 206 HB2 ASP 27 HB3 ASP 27 11.172 5.392 -2.929 207 HB3 ASP 27 HB2 ASP 27 11.608 5.221 -1.232 208 H LEU 28 H LEU 28 7.830 6.039 -2.808 209 HA LEU 28 HA LEU 28 8.196 8.352 -0.982 210 HB2 LEU 28 HB3 LEU 28 8.222 8.744 -3.439 211 HB3 LEU 28 HB2 LEU 28 6.578 8.125 -3.538 212 HG LEU 28 HG LEU 28 5.883 9.906 -1.898 213 HD11 LEU 28 HD11 LEU 28 7.861 11.824 -2.212 214 HD12 LEU 28 HD12 LEU 28 8.783 10.346 -1.937 215 HD13 LEU 28 HD13 LEU 28 7.584 10.870 -0.755 216 HD21 LEU 28 HD21 LEU 28 5.766 10.098 -4.449 217 HD22 LEU 28 HD22 LEU 28 7.224 11.084 -4.341 218 HD23 LEU 28 HD23 LEU 28 5.738 11.619 -3.556 219 H ASP 29 H ASP 29 6.547 9.028 0.386 220 HA ASP 29 HA ASP 29 4.615 7.134 1.230 221 HB2 ASP 29 HB3 ASP 29 4.693 10.144 1.582 222 HB3 ASP 29 HB2 ASP 29 3.556 9.088 2.421 223 H LEU 30 H LEU 30 2.540 6.745 0.644 224 HA LEU 30 HA LEU 30 1.636 7.535 -1.952 225 HB2 LEU 30 HB3 LEU 30 1.010 5.498 -0.353 226 HB3 LEU 30 HB2 LEU 30 -0.294 6.581 0.120 227 HG LEU 30 HG LEU 30 0.344 5.701 -2.707 228 HD11 LEU 30 HD11 LEU 30 -2.293 5.157 -1.508 229 HD12 LEU 30 HD12 LEU 30 -0.957 4.294 -0.747 230 HD13 LEU 30 HD13 LEU 30 -1.261 4.106 -2.474 231 HD21 LEU 30 HD21 LEU 30 -2.024 6.822 -2.982 232 HD22 LEU 30 HD22 LEU 30 -0.572 7.820 -3.005 233 HD23 LEU 30 HD23 LEU 30 -1.548 7.716 -1.539 234 H VAL 31 H VAL 31 0.811 8.671 1.311 235 HA VAL 31 HA VAL 31 -1.371 10.333 0.533 236 HB VAL 31 HB VAL 31 0.546 10.567 2.862 237 HG11 VAL 31 HG11 VAL 31 -0.328 12.661 3.031 238 HG12 VAL 31 HG12 VAL 31 -1.794 11.838 3.565 239 HG13 VAL 31 HG13 VAL 31 -1.613 12.312 1.874 240 HG21 VAL 31 HG21 VAL 31 -0.722 8.922 3.744 241 HG22 VAL 31 HG22 VAL 31 -1.617 8.818 2.228 242 HG23 VAL 31 HG23 VAL 31 -2.171 9.899 3.507 243 H ASP 32 H ASP 32 2.118 10.963 0.606 244 HA ASP 32 HA ASP 32 2.081 13.762 0.290 245 HB2 ASP 32 HB3 ASP 32 3.915 11.698 -0.969 246 HB3 ASP 32 HB2 ASP 32 4.209 13.436 -1.036 247 H ASN 33 H ASN 33 1.411 11.196 -2.005 248 HA ASN 33 HA ASN 33 1.294 12.876 -4.349 249 HB2 ASN 33 HB3 ASN 33 0.135 10.168 -3.704 250 HB3 ASN 33 HB2 ASN 33 0.022 10.913 -5.293 251 HD21 ASN 33 HD22 ASN 33 1.452 8.466 -4.943 252 HD22 ASN 33 HD21 ASN 33 3.106 8.763 -5.181 253 H GLY 34 H GLY 34 -1.058 11.850 -1.921 254 HA2 GLY 34 HA3 GLY 34 -3.102 12.951 -1.381 255 HA3 GLY 34 HA2 GLY 34 -2.883 13.989 -2.793 256 H VAL 35 H VAL 35 -2.326 10.827 -3.685 257 HA VAL 35 HA VAL 35 -4.612 10.667 -5.380 258 HB VAL 35 HB VAL 35 -2.765 8.504 -4.329 259 HG11 VAL 35 HG11 VAL 35 -5.175 8.405 -6.066 260 HG12 VAL 35 HG12 VAL 35 -4.479 7.155 -5.033 261 HG13 VAL 35 HG13 VAL 35 -3.776 7.484 -6.617 262 HG21 VAL 35 HG21 VAL 35 -2.821 9.403 -7.167 263 HG22 VAL 35 HG22 VAL 35 -1.449 8.925 -6.168 264 HG23 VAL 35 HG23 VAL 35 -2.147 10.535 -5.993 265 H ILE 36 H ILE 36 -4.009 9.564 -2.088 266 HA ILE 36 HA ILE 36 -6.576 8.143 -1.955 267 HB ILE 36 HB ILE 36 -4.568 8.831 0.216 268 HG12 ILE 36 HG13 ILE 36 -5.107 6.201 -1.193 269 HG13 ILE 36 HG12 ILE 36 -3.781 7.283 -1.596 270 HG21 ILE 36 HG21 ILE 36 -6.135 6.565 0.847 271 HG22 ILE 36 HG22 ILE 36 -7.262 7.813 0.314 272 HG23 ILE 36 HG23 ILE 36 -6.155 8.136 1.649 273 HD11 ILE 36 HD11 ILE 36 -2.563 6.644 0.205 274 HD12 ILE 36 HD12 ILE 36 -3.675 5.280 0.306 275 HD13 ILE 36 HD13 ILE 36 -3.964 6.726 1.272 276 H ASP 37 H ASP 37 -8.436 9.131 -1.502 277 HA ASP 37 HA ASP 37 -8.394 11.688 0.043 278 HB2 ASP 37 HB3 ASP 37 -8.862 11.949 -2.458 279 HB3 ASP 37 HB2 ASP 37 -10.353 11.049 -2.177 280 H ALA 38 H ALA 38 -11.266 11.879 0.142 281 HA ALA 38 HA ALA 38 -11.798 10.091 2.331 282 HB1 ALA 38 HB1 ALA 38 -14.010 11.041 2.356 283 HB2 ALA 38 HB2 ALA 38 -13.866 11.562 0.677 284 HB3 ALA 38 HB3 ALA 38 -12.903 12.346 1.930 285 H LEU 39 H LEU 39 -13.174 10.228 -0.963 286 HA LEU 39 HA LEU 39 -14.422 7.624 -0.727 287 HB2 LEU 39 HB3 LEU 39 -13.701 9.152 -3.239 288 HB3 LEU 39 HB2 LEU 39 -14.884 7.858 -3.104 289 HG LEU 39 HG LEU 39 -15.035 10.593 -1.835 290 HD11 LEU 39 HD11 LEU 39 -16.646 11.090 -3.398 291 HD12 LEU 39 HD12 LEU 39 -17.185 9.414 -3.524 292 HD13 LEU 39 HD13 LEU 39 -15.712 9.931 -4.345 293 HD21 LEU 39 HD21 LEU 39 -17.375 9.622 -1.171 294 HD22 LEU 39 HD22 LEU 39 -15.971 9.217 -0.184 295 HD23 LEU 39 HD23 LEU 39 -16.583 8.058 -1.364 296 H GLY 40 H GLY 40 -11.388 8.923 -1.886 297 HA2 GLY 40 HA3 GLY 40 -10.383 6.623 -3.209 298 HA3 GLY 40 HA2 GLY 40 -9.385 7.868 -2.451 299 H LEU 41 H LEU 41 -10.335 7.605 0.195 300 HA LEU 41 HA LEU 41 -8.726 5.425 1.137 301 HB2 LEU 41 HB3 LEU 41 -9.054 7.354 2.549 302 HB3 LEU 41 HB2 LEU 41 -10.804 7.154 2.505 303 HG LEU 41 HG LEU 41 -9.288 4.786 3.430 304 HD11 LEU 41 HD11 LEU 41 -9.263 5.959 5.779 305 HD12 LEU 41 HD12 LEU 41 -9.210 7.445 4.830 306 HD13 LEU 41 HD13 LEU 41 -7.932 6.242 4.657 307 HD21 LEU 41 HD21 LEU 41 -11.200 4.443 4.718 308 HD22 LEU 41 HD22 LEU 41 -11.880 5.360 3.374 309 HD23 LEU 41 HD23 LEU 41 -11.513 6.168 4.897 310 H LEU 42 H LEU 42 -12.242 5.890 0.895 311 HA LEU 42 HA LEU 42 -13.005 3.404 2.034 312 HB2 LEU 42 HB3 LEU 42 -14.697 5.059 1.686 313 HB3 LEU 42 HB2 LEU 42 -14.324 5.176 -0.032 314 HG LEU 42 HG LEU 42 -15.164 2.929 -0.422 315 HD11 LEU 42 HD11 LEU 42 -15.141 2.839 2.564 316 HD12 LEU 42 HD12 LEU 42 -14.693 1.594 1.397 317 HD13 LEU 42 HD13 LEU 42 -16.393 1.930 1.718 318 HD21 LEU 42 HD21 LEU 42 -16.758 5.070 0.697 319 HD22 LEU 42 HD22 LEU 42 -17.487 3.505 1.056 320 HD23 LEU 42 HD23 LEU 42 -17.152 3.959 -0.615 321 H LYS 43 H LYS 43 -12.316 4.259 -1.357 322 HA LYS 43 HA LYS 43 -12.913 1.691 -2.419 323 HB2 LYS 43 HB3 LYS 43 -10.955 3.795 -3.361 324 HB3 LYS 43 HB2 LYS 43 -11.415 2.385 -4.305 325 HG2 LYS 43 HG3 LYS 43 -13.799 3.108 -4.156 326 HG3 LYS 43 HG2 LYS 43 -13.269 4.571 -3.325 327 HD2 LYS 43 HD3 LYS 43 -11.828 5.117 -5.295 328 HD3 LYS 43 HD2 LYS 43 -12.503 3.717 -6.131 329 HE2 LYS 43 HE3 LYS 43 -14.043 5.215 -6.887 330 HE3 LYS 43 HE2 LYS 43 -14.784 4.965 -5.307 331 HZ1 LYS 43 HZ1 LYS 43 -12.865 7.106 -6.048 332 HZ2 LYS 43 HZ2 LYS 43 -13.432 6.830 -4.473 333 HZ3 LYS 43 HZ3 LYS 43 -14.517 7.299 -5.695 334 H VAL 44 H VAL 44 -10.004 2.992 -0.909 335 HA VAL 44 HA VAL 44 -8.210 0.899 -1.612 336 HB VAL 44 HB VAL 44 -8.306 2.739 0.783 337 HG11 VAL 44 HG11 VAL 44 -6.387 0.562 0.007 338 HG12 VAL 44 HG12 VAL 44 -6.968 1.014 1.609 339 HG13 VAL 44 HG13 VAL 44 -5.768 2.015 0.791 340 HG21 VAL 44 HG21 VAL 44 -7.884 3.473 -1.721 341 HG22 VAL 44 HG22 VAL 44 -6.283 2.787 -1.437 342 HG23 VAL 44 HG23 VAL 44 -6.866 4.115 -0.431 343 H ILE 45 H ILE 45 -10.191 1.302 1.330 344 HA ILE 45 HA ILE 45 -9.434 -1.224 2.461 345 HB ILE 45 HB ILE 45 -11.778 0.622 2.942 346 HG12 ILE 45 HG13 ILE 45 -10.436 0.729 5.204 347 HG13 ILE 45 HG12 ILE 45 -9.099 0.132 4.225 348 HG21 ILE 45 HG21 ILE 45 -12.591 -1.513 3.567 349 HG22 ILE 45 HG22 ILE 45 -12.018 -0.781 5.064 350 HG23 ILE 45 HG23 ILE 45 -11.035 -1.993 4.243 351 HD11 ILE 45 HD11 ILE 45 -9.236 2.649 4.389 352 HD12 ILE 45 HD12 ILE 45 -10.746 2.563 3.487 353 HD13 ILE 45 HD13 ILE 45 -9.241 2.022 2.743 354 H ALA 46 H ALA 46 -12.037 -0.274 0.259 355 HA ALA 46 HA ALA 46 -13.602 -2.654 0.567 356 HB1 ALA 46 HB1 ALA 46 -14.260 -1.922 -1.914 357 HB2 ALA 46 HB2 ALA 46 -13.419 -0.451 -1.426 358 HB3 ALA 46 HB3 ALA 46 -14.809 -1.020 -0.501 359 H TRP 47 H TRP 47 -11.182 -1.825 -1.968 360 HA TRP 47 HA TRP 47 -11.410 -4.522 -3.088 361 HB2 TRP 47 HB3 TRP 47 -10.567 -3.474 -4.883 362 HB3 TRP 47 HB2 TRP 47 -10.313 -2.016 -3.925 363 HD1 TRP 47 HD1 TRP 47 -8.537 -5.405 -4.545 364 HE1 TRP 47 HE1 TRP 47 -5.991 -4.999 -4.417 365 HE3 TRP 47 HE3 TRP 47 -8.502 -0.459 -3.362 366 HZ2 TRP 47 HZ2 TRP 47 -4.180 -2.847 -3.880 367 HZ3 TRP 47 HZ3 TRP 47 -6.363 0.757 -3.045 368 HH2 TRP 47 HH2 TRP 47 -4.203 -0.431 -3.304 369 H LEU 48 H LEU 48 -8.977 -2.742 -1.201 370 HA LEU 48 HA LEU 48 -7.003 -4.769 -1.166 371 HB2 LEU 48 HB3 LEU 48 -6.693 -2.424 -0.346 372 HB3 LEU 48 HB2 LEU 48 -7.665 -2.825 1.065 373 HG LEU 48 HG LEU 48 -6.021 -4.701 1.521 374 HD11 LEU 48 HD11 LEU 48 -3.752 -3.583 0.261 375 HD12 LEU 48 HD12 LEU 48 -4.978 -3.739 -0.995 376 HD13 LEU 48 HD13 LEU 48 -4.487 -5.152 -0.063 377 HD21 LEU 48 HD21 LEU 48 -5.785 -1.851 1.931 378 HD22 LEU 48 HD22 LEU 48 -4.183 -2.583 1.837 379 HD23 LEU 48 HD23 LEU 48 -5.350 -3.165 3.025 380 H GLU 49 H GLU 49 -9.797 -4.271 0.999 381 HA GLU 49 HA GLU 49 -9.098 -6.497 2.707 382 HB2 GLU 49 HB3 GLU 49 -11.115 -6.034 3.822 383 HB3 GLU 49 HB2 GLU 49 -10.618 -4.466 3.216 384 HG2 GLU 49 HG3 GLU 49 -12.054 -4.903 1.193 385 HG3 GLU 49 HG2 GLU 49 -12.667 -6.317 2.026 386 H ASP 50 H ASP 50 -11.196 -6.059 -0.111 387 HA ASP 50 HA ASP 50 -12.519 -8.560 -0.047 388 HB2 ASP 50 HB3 ASP 50 -13.041 -6.644 -1.576 389 HB3 ASP 50 HB2 ASP 50 -11.615 -7.079 -2.516 390 H ARG 51 H ARG 51 -9.335 -7.710 -1.359 391 HA ARG 51 HA ARG 51 -8.829 -10.143 -2.718 392 HB2 ARG 51 HB3 ARG 51 -6.948 -8.197 -1.392 393 HB3 ARG 51 HB2 ARG 51 -6.413 -9.534 -2.402 394 HG2 ARG 51 HG3 ARG 51 -7.852 -8.645 -4.250 395 HG3 ARG 51 HG2 ARG 51 -8.209 -7.244 -3.238 396 HD2 ARG 51 HD3 ARG 51 -6.374 -6.692 -4.745 397 HD3 ARG 51 HD2 ARG 51 -5.762 -6.775 -3.092 398 HE ARG 51 HE ARG 51 -5.533 -9.248 -4.691 399 HH11 ARG 51 HH22 ARG 51 -4.120 -6.353 -3.445 400 HH12 ARG 51 HH21 ARG 51 -2.493 -6.922 -3.615 401 HH21 ARG 51 HH11 ARG 51 -3.417 -9.998 -4.917 402 HH22 ARG 51 HH12 ARG 51 -2.096 -8.982 -4.447 403 H PHE 52 H PHE 52 -8.276 -9.302 0.715 404 HA PHE 52 HA PHE 52 -7.205 -12.036 1.122 405 HB2 PHE 52 HB3 PHE 52 -7.273 -9.558 2.847 406 HB3 PHE 52 HB2 PHE 52 -6.788 -11.133 3.472 407 HD1 PHE 52 HD1 PHE 52 -5.924 -8.403 1.157 408 HD2 PHE 52 HD2 PHE 52 -4.751 -12.238 2.697 409 HE1 PHE 52 HE1 PHE 52 -3.673 -8.117 0.156 410 HE2 PHE 52 HE2 PHE 52 -2.500 -11.951 1.699 411 HZ PHE 52 HZ PHE 52 -1.961 -9.891 0.427 412 H GLY 53 H GLY 53 -10.184 -10.482 1.247 413 HA2 GLY 53 HA3 GLY 53 -12.263 -11.323 1.954 414 HA3 GLY 53 HA2 GLY 53 -11.432 -12.797 2.456 415 H ILE 54 H ILE 54 -10.458 -9.614 3.566 416 HA ILE 54 HA ILE 54 -11.269 -10.448 6.309 417 HB ILE 54 HB ILE 54 -9.559 -8.850 7.088 418 HG12 ILE 54 HG13 ILE 54 -9.063 -8.436 4.121 419 HG13 ILE 54 HG12 ILE 54 -9.770 -7.246 5.215 420 HG21 ILE 54 HG21 ILE 54 -7.784 -10.138 5.266 421 HG22 ILE 54 HG22 ILE 54 -9.112 -11.252 5.589 422 HG23 ILE 54 HG23 ILE 54 -8.160 -10.604 6.925 423 HD11 ILE 54 HD11 ILE 54 -7.696 -7.310 6.584 424 HD12 ILE 54 HD12 ILE 54 -7.387 -6.785 4.928 425 HD13 ILE 54 HD13 ILE 54 -6.991 -8.432 5.419 426 H ALA 55 H ALA 55 -12.270 -8.848 7.696 427 HA ALA 55 HA ALA 55 -13.803 -6.828 6.134 428 HB1 ALA 55 HB1 ALA 55 -15.087 -8.469 7.492 429 HB2 ALA 55 HB2 ALA 55 -15.352 -6.810 8.033 430 HB3 ALA 55 HB3 ALA 55 -14.277 -7.874 8.941 431 H ALA 56 H ALA 56 -13.615 -4.654 6.580 432 HA ALA 56 HA ALA 56 -11.295 -3.719 7.994 433 HB1 ALA 56 HB1 ALA 56 -12.886 -2.618 6.117 434 HB2 ALA 56 HB2 ALA 56 -11.856 -1.650 7.173 435 HB3 ALA 56 HB3 ALA 56 -13.567 -1.849 7.551 436 H ASP 57 H ASP 57 -14.605 -4.309 8.952 437 HA ASP 57 HA ASP 57 -14.702 -2.660 11.264 438 HB2 ASP 57 HB3 ASP 57 -16.479 -4.182 12.053 439 HB3 ASP 57 HB2 ASP 57 -16.695 -3.768 10.354 440 H ASP 58 H ASP 58 -13.220 -5.818 10.751 441 HA ASP 58 HA ASP 58 -12.843 -6.574 13.455 442 HB2 ASP 58 HB3 ASP 58 -12.332 -7.972 11.412 443 HB3 ASP 58 HB2 ASP 58 -10.858 -7.025 11.226 444 H VAL 59 H VAL 59 -10.916 -4.437 11.382 445 HA VAL 59 HA VAL 59 -9.600 -3.405 13.851 446 HB VAL 59 HB VAL 59 -8.062 -5.002 12.691 447 HG11 VAL 59 HG11 VAL 59 -9.081 -4.248 10.390 448 HG12 VAL 59 HG12 VAL 59 -7.376 -4.690 10.478 449 HG13 VAL 59 HG13 VAL 59 -7.845 -2.991 10.468 450 HG21 VAL 59 HG21 VAL 59 -6.168 -3.612 12.902 451 HG22 VAL 59 HG22 VAL 59 -7.367 -2.818 13.923 452 HG23 VAL 59 HG23 VAL 59 -7.032 -2.193 12.308 453 H GLU 60 H GLU 60 -9.218 -1.166 13.800 454 HA GLU 60 HA GLU 60 -10.598 0.277 11.617 455 HB2 GLU 60 HB3 GLU 60 -10.990 0.876 14.020 456 HB3 GLU 60 HB2 GLU 60 -9.309 1.382 14.129 457 HG2 GLU 60 HG3 GLU 60 -9.711 2.987 12.277 458 HG3 GLU 60 HG2 GLU 60 -11.411 2.532 12.291 459 H LEU 61 H LEU 61 -9.507 1.381 10.032 460 HA LEU 61 HA LEU 61 -6.552 1.295 10.118 461 HB2 LEU 61 HB3 LEU 61 -8.409 2.025 7.838 462 HB3 LEU 61 HB2 LEU 61 -6.682 1.730 7.727 463 HG LEU 61 HG LEU 61 -8.783 -0.283 8.532 464 HD11 LEU 61 HD11 LEU 61 -7.161 -1.124 6.353 465 HD12 LEU 61 HD12 LEU 61 -7.694 0.520 6.001 466 HD13 LEU 61 HD13 LEU 61 -8.883 -0.741 6.332 467 HD21 LEU 61 HD21 LEU 61 -5.783 -0.295 8.615 468 HD22 LEU 61 HD22 LEU 61 -6.636 -1.796 8.259 469 HD23 LEU 61 HD23 LEU 61 -6.930 -0.954 9.780 470 H SER 62 H SER 62 -5.327 3.152 10.198 471 HA SER 62 HA SER 62 -6.814 5.729 10.387 472 HB2 SER 62 HB3 SER 62 -5.696 5.902 12.347 473 HB3 SER 62 HB2 SER 62 -4.659 4.535 11.952 474 HG SER 62 HG SER 62 -3.175 5.880 11.313 475 HA PRO 63 HA PRO 63 -4.917 7.306 6.754 476 HB2 PRO 63 HB2 PRO 63 -3.818 9.697 7.788 477 HB3 PRO 63 HB3 PRO 63 -5.430 9.497 7.081 478 HG2 PRO 63 HG3 PRO 63 -4.610 9.604 9.917 479 HG3 PRO 63 HG2 PRO 63 -6.133 10.092 9.156 480 HD2 PRO 63 HD3 PRO 63 -5.917 7.826 10.641 481 HD3 PRO 63 HD2 PRO 63 -7.028 7.953 9.258 482 H GLU 64 H GLU 64 -3.020 7.019 9.671 483 HA GLU 64 HA GLU 64 -0.443 7.521 8.484 484 HB2 GLU 64 HB3 GLU 64 -1.232 5.994 10.968 485 HB3 GLU 64 HB2 GLU 64 0.417 6.422 10.545 486 HG2 GLU 64 HG3 GLU 64 -0.238 8.811 10.531 487 HG3 GLU 64 HG2 GLU 64 -1.855 8.345 11.046 488 H HIS 65 H HIS 65 -2.550 4.745 8.703 489 HA HIS 65 HA HIS 65 -0.584 2.739 8.143 490 HB2 HIS 65 HB3 HIS 65 -2.542 1.752 8.844 491 HB3 HIS 65 HB2 HIS 65 -3.552 2.934 8.023 492 HD1 HIS 65 HD1 HIS 65 -2.510 -0.493 7.764 493 HD2 HIS 65 HD2 HIS 65 -3.372 2.516 5.007 494 HE1 HIS 65 HE1 HIS 65 -2.995 -1.650 5.559 495 HE2 HIS 65 HE2 HIS 65 -3.506 0.173 3.875 496 H PHE 66 H PHE 66 -2.010 5.188 6.235 497 HA PHE 66 HA PHE 66 -1.306 3.816 3.704 498 HB2 PHE 66 HB3 PHE 66 -2.591 6.536 4.078 499 HB3 PHE 66 HB2 PHE 66 -2.544 5.569 2.603 500 HD1 PHE 66 HD2 PHE 66 -3.736 5.462 6.148 501 HD2 PHE 66 HD1 PHE 66 -4.280 4.050 2.128 502 HE1 PHE 66 HE2 PHE 66 -5.824 4.310 6.835 503 HE2 PHE 66 HE1 PHE 66 -6.366 2.899 2.816 504 HZ PHE 66 HZ PHE 66 -7.133 3.033 5.171 505 H ARG 67 H ARG 67 0.460 5.129 5.877 506 HA ARG 67 HA ARG 67 1.732 7.441 5.016 507 HB2 ARG 67 HB3 ARG 67 3.714 6.579 6.195 508 HB3 ARG 67 HB2 ARG 67 2.246 6.247 7.110 509 HG2 ARG 67 HG3 ARG 67 2.386 4.020 5.550 510 HG3 ARG 67 HG2 ARG 67 4.096 4.372 5.769 511 HD2 ARG 67 HD3 ARG 67 3.355 4.683 8.306 512 HD3 ARG 67 HD2 ARG 67 2.036 3.630 7.804 513 HE ARG 67 HE ARG 67 4.633 2.604 7.000 514 HH11 ARG 67 HH22 ARG 67 2.318 2.929 9.535 515 HH12 ARG 67 HH21 ARG 67 2.808 1.482 10.351 516 HH21 ARG 67 HH11 ARG 67 5.280 0.708 8.046 517 HH22 ARG 67 HH12 ARG 67 4.487 0.225 9.508 518 H SER 68 H SER 68 2.243 4.123 3.792 519 HA SER 68 HA SER 68 3.307 5.229 1.306 520 HB2 SER 68 HB3 SER 68 5.311 5.319 2.740 521 HB3 SER 68 HB2 SER 68 5.129 3.606 3.106 522 HG SER 68 HG SER 68 5.630 3.107 1.042 523 H ILE 69 H ILE 69 3.673 3.525 -0.316 524 HA ILE 69 HA ILE 69 1.691 1.507 -0.320 525 HB ILE 69 HB ILE 69 4.307 1.498 -1.857 526 HG12 ILE 69 HG13 ILE 69 3.252 3.639 -2.202 527 HG13 ILE 69 HG12 ILE 69 2.934 2.657 -3.626 528 HG21 ILE 69 HG21 ILE 69 3.463 -0.352 -2.791 529 HG22 ILE 69 HG22 ILE 69 2.092 0.598 -3.361 530 HG23 ILE 69 HG23 ILE 69 2.011 -0.217 -1.800 531 HD11 ILE 69 HD11 ILE 69 0.822 3.528 -3.167 532 HD12 ILE 69 HD12 ILE 69 1.056 3.454 -1.421 533 HD13 ILE 69 HD13 ILE 69 0.754 1.976 -2.338 534 H ARG 70 H ARG 70 5.168 1.310 0.439 535 HA ARG 70 HA ARG 70 5.293 -1.496 0.826 536 HB2 ARG 70 HB3 ARG 70 7.244 -0.943 2.349 537 HB3 ARG 70 HB2 ARG 70 7.339 -0.233 0.739 538 HG2 ARG 70 HG3 ARG 70 5.889 1.588 2.372 539 HG3 ARG 70 HG2 ARG 70 7.321 1.105 3.277 540 HD2 ARG 70 HD3 ARG 70 7.403 2.015 0.392 541 HD3 ARG 70 HD2 ARG 70 7.665 3.099 1.759 542 HE ARG 70 HE ARG 70 9.559 1.124 0.753 543 HH11 ARG 70 HH22 ARG 70 8.407 2.907 3.468 544 HH12 ARG 70 HH21 ARG 70 9.912 2.836 4.322 545 HH21 ARG 70 HH11 ARG 70 11.533 1.021 1.852 546 HH22 ARG 70 HH12 ARG 70 11.682 1.768 3.407 547 H SER 71 H SER 71 4.362 1.100 3.058 548 HA SER 71 HA SER 71 4.153 -0.517 5.403 549 HB2 SER 71 HB3 SER 71 4.101 1.957 5.451 550 HB3 SER 71 HB2 SER 71 2.542 1.935 4.633 551 HG SER 71 HG SER 71 2.041 0.413 6.533 552 H ILE 72 H ILE 72 1.795 0.259 2.849 553 HA ILE 72 HA ILE 72 -0.447 -1.007 4.038 554 HB ILE 72 HB ILE 72 0.251 -0.721 1.102 555 HG12 ILE 72 HG13 ILE 72 -1.414 1.061 2.909 556 HG13 ILE 72 HG12 ILE 72 0.246 1.411 2.425 557 HG21 ILE 72 HG21 ILE 72 -2.208 -0.848 0.803 558 HG22 ILE 72 HG22 ILE 72 -2.382 -1.175 2.528 559 HG23 ILE 72 HG23 ILE 72 -1.548 -2.332 1.491 560 HD11 ILE 72 HD11 ILE 72 -0.456 2.243 0.458 561 HD12 ILE 72 HD12 ILE 72 -2.121 2.027 1.000 562 HD13 ILE 72 HD13 ILE 72 -1.315 0.746 0.095 563 H ASP 73 H ASP 73 1.978 -2.301 1.745 564 HA ASP 73 HA ASP 73 0.875 -4.922 1.575 565 HB2 ASP 73 HB3 ASP 73 2.818 -3.840 0.214 566 HB3 ASP 73 HB2 ASP 73 3.844 -4.397 1.534 567 H ALA 74 H ALA 74 3.261 -3.528 3.808 568 HA ALA 74 HA ALA 74 3.746 -5.959 5.254 569 HB1 ALA 74 HB1 ALA 74 3.940 -3.231 6.507 570 HB2 ALA 74 HB2 ALA 74 5.069 -3.708 5.239 571 HB3 ALA 74 HB3 ALA 74 4.987 -4.631 6.740 572 H PHE 75 H PHE 75 1.422 -3.317 5.701 573 HA PHE 75 HA PHE 75 0.419 -4.165 8.232 574 HB2 PHE 75 HB3 PHE 75 -0.104 -1.968 7.175 575 HB3 PHE 75 HB2 PHE 75 -1.106 -2.815 6.000 576 HD1 PHE 75 HD1 PHE 75 -0.730 -1.960 9.583 577 HD2 PHE 75 HD2 PHE 75 -3.277 -3.682 6.583 578 HE1 PHE 75 HE1 PHE 75 -2.626 -1.941 11.181 579 HE2 PHE 75 HE2 PHE 75 -5.174 -3.662 8.181 580 HZ PHE 75 HZ PHE 75 -4.847 -2.791 10.480 581 H VAL 76 H VAL 76 -0.791 -4.857 4.937 582 HA VAL 76 HA VAL 76 -2.799 -6.712 5.834 583 HB VAL 76 HB VAL 76 -1.464 -6.290 3.149 584 HG11 VAL 76 HG11 VAL 76 -3.297 -8.351 4.120 585 HG12 VAL 76 HG12 VAL 76 -2.367 -8.287 2.625 586 HG13 VAL 76 HG13 VAL 76 -3.927 -7.472 2.728 587 HG21 VAL 76 HG21 VAL 76 -3.160 -4.634 4.494 588 HG22 VAL 76 HG22 VAL 76 -4.319 -5.653 3.639 589 HG23 VAL 76 HG23 VAL 76 -3.103 -4.748 2.735 590 H VAL 77 H VAL 77 0.464 -7.181 4.404 591 HA VAL 77 HA VAL 77 0.359 -10.050 4.613 592 HB VAL 77 HB VAL 77 2.676 -8.115 4.355 593 HG11 VAL 77 HG11 VAL 77 3.953 -9.886 4.919 594 HG12 VAL 77 HG12 VAL 77 3.466 -10.583 3.374 595 HG13 VAL 77 HG13 VAL 77 2.583 -10.993 4.844 596 HG21 VAL 77 HG21 VAL 77 2.650 -9.005 1.998 597 HG22 VAL 77 HG22 VAL 77 1.206 -8.088 2.425 598 HG23 VAL 77 HG23 VAL 77 1.153 -9.851 2.388 599 H GLY 78 H GLY 78 1.882 -7.524 6.611 600 HA2 GLY 78 HA3 GLY 78 3.008 -9.277 8.555 601 HA3 GLY 78 HA2 GLY 78 2.621 -7.580 8.833 602 H ALA 79 H ALA 79 -0.200 -7.782 8.315 603 HA ALA 79 HA ALA 79 -1.098 -8.602 10.919 604 HB1 ALA 79 HB1 ALA 79 -2.261 -6.844 9.688 605 HB2 ALA 79 HB2 ALA 79 -3.377 -8.174 10.001 606 HB3 ALA 79 HB3 ALA 79 -2.663 -7.978 8.400 607 H THR 80 H THR 80 -1.273 -10.129 7.719 608 HA THR 80 HA THR 80 -2.792 -12.401 8.758 609 HB THR 80 HB THR 80 -2.601 -13.300 6.506 610 HG1 THR 80 HG1 THR 80 -0.936 -11.113 5.873 611 HG21 THR 80 HG21 THR 80 -3.489 -10.587 7.071 612 HG22 THR 80 HG22 THR 80 -4.255 -11.830 6.082 613 HG23 THR 80 HG23 THR 80 -3.025 -10.779 5.380 614 H THR 81 H THR 81 0.559 -11.613 8.087 615 HA THR 81 HA THR 81 1.307 -14.217 9.299 616 HB THR 81 HB THR 81 3.380 -13.777 7.622 617 HG1 THR 81 HG1 THR 81 2.515 -13.073 5.663 618 HG21 THR 81 HG21 THR 81 2.065 -15.861 7.870 619 HG22 THR 81 HG22 THR 81 2.362 -15.478 6.173 620 HG23 THR 81 HG23 THR 81 0.784 -15.149 6.889 621 HA PRO 82 HA PRO 82 3.894 -12.070 12.182 622 HB2 PRO 82 HB2 PRO 82 6.177 -13.627 11.082 623 HB3 PRO 82 HB3 PRO 82 5.644 -13.444 12.760 624 HG2 PRO 82 HG3 PRO 82 5.186 -15.665 11.290 625 HG3 PRO 82 HG2 PRO 82 4.131 -15.123 12.602 626 HD2 PRO 82 HD3 PRO 82 3.615 -15.141 9.708 627 HD3 PRO 82 HD2 PRO 82 2.472 -14.971 11.057 628 HA PRO 83 HA PRO 83 5.375 -9.007 9.093 629 HB2 PRO 83 HB2 PRO 83 5.989 -7.407 11.491 630 HB3 PRO 83 HB3 PRO 83 4.972 -7.002 10.099 631 HG2 PRO 83 HG3 PRO 83 3.992 -7.591 12.558 632 HG3 PRO 83 HG2 PRO 83 3.104 -7.852 11.049 633 HD2 PRO 83 HD3 PRO 83 4.371 -9.843 12.843 634 HD3 PRO 83 HD2 PRO 83 3.030 -10.042 11.694 635 H VAL 84 H VAL 84 7.461 -8.502 8.406 636 HA VAL 84 HA VAL 84 9.674 -9.594 10.081 637 HB VAL 84 HB VAL 84 9.664 -8.889 7.131 638 HG11 VAL 84 HG11 VAL 84 11.712 -10.469 7.265 639 HG12 VAL 84 HG12 VAL 84 11.662 -10.158 9.001 640 HG13 VAL 84 HG13 VAL 84 11.907 -8.825 7.872 641 HG21 VAL 84 HG21 VAL 84 8.945 -11.350 8.661 642 HG22 VAL 84 HG22 VAL 84 9.874 -11.564 7.178 643 HG23 VAL 84 HG23 VAL 84 8.307 -10.755 7.128 644 H GLU 85 H GLU 85 11.200 -8.230 10.896 645 HA GLU 85 HA GLU 85 12.007 -6.116 11.610 646 HB2 GLU 85 HB3 GLU 85 12.319 -5.991 8.595 647 HB3 GLU 85 HB2 GLU 85 13.178 -4.967 9.745 648 HG2 GLU 85 HG3 GLU 85 14.141 -7.001 10.802 649 HG3 GLU 85 HG2 GLU 85 13.337 -7.991 9.583 650 H ALA 86 H ALA 86 9.061 -6.189 10.932 651 HA ALA 86 HA ALA 86 7.312 -4.669 10.468 652 HB1 ALA 86 HB1 ALA 86 9.224 -2.732 11.797 653 HB2 ALA 86 HB2 ALA 86 8.291 -3.935 12.687 654 HB3 ALA 86 HB3 ALA 86 7.462 -2.661 11.792 655 H LYS 87 H LYS 87 7.848 -1.728 10.171 656 HA LYS 87 HA LYS 87 8.155 -1.718 7.285 657 HB2 LYS 87 HB3 LYS 87 6.725 -0.100 8.606 658 HB3 LYS 87 HB2 LYS 87 8.216 0.674 9.141 659 HG2 LYS 87 HG3 LYS 87 8.849 0.993 6.736 660 HG3 LYS 87 HG2 LYS 87 7.266 0.365 6.280 661 HD2 LYS 87 HD3 LYS 87 6.240 2.179 7.720 662 HD3 LYS 87 HD2 LYS 87 7.857 2.864 7.883 663 HE2 LYS 87 HE3 LYS 87 6.728 2.270 5.154 664 HE3 LYS 87 HE2 LYS 87 6.311 3.767 5.986 665 HZ1 LYS 87 HZ1 LYS 87 9.081 2.829 5.470 666 HZ2 LYS 87 HZ2 LYS 87 8.634 4.304 6.175 667 HZ3 LYS 87 HZ3 LYS 87 8.264 3.997 4.546 668 H LEU 88 H LEU 88 9.895 -0.886 6.077 669 HA LEU 88 HA LEU 88 12.516 -1.357 6.993 670 HB2 LEU 88 HB3 LEU 88 11.911 -1.106 4.604 671 HB3 LEU 88 HB2 LEU 88 11.626 0.615 4.863 672 HG LEU 88 HG LEU 88 14.254 -0.370 5.802 673 HD11 LEU 88 HD11 LEU 88 15.129 -0.244 3.407 674 HD12 LEU 88 HD12 LEU 88 13.451 -0.381 2.883 675 HD13 LEU 88 HD13 LEU 88 14.197 -1.688 3.802 676 HD21 LEU 88 HD21 LEU 88 13.753 1.883 3.877 677 HD22 LEU 88 HD22 LEU 88 14.938 1.775 5.176 678 HD23 LEU 88 HD23 LEU 88 13.240 2.060 5.554 679 H GLN 89 H GLN 89 10.595 1.627 7.068 680 HA GLN 89 HA GLN 89 12.822 3.130 8.273 681 HB2 GLN 89 HB3 GLN 89 9.929 3.878 7.744 682 HB3 GLN 89 HB2 GLN 89 11.153 4.984 8.369 683 HG2 GLN 89 HG3 GLN 89 12.508 4.665 6.348 684 HG3 GLN 89 HG2 GLN 89 11.325 3.513 5.723 685 HE21 GLN 89 HE22 GLN 89 11.936 5.890 4.267 686 HE22 GLN 89 HE21 GLN 89 10.575 6.905 4.291
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