NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
573600 | 2mho | 19643 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 -1.845 -24.556 6.306 2 H2 GLY 1 H2 GLY 1 -0.332 -24.953 5.661 3 H3 GLY 1 H3 GLY 1 -0.619 -25.142 7.316 4 HA2 GLY 1 HA2 GLY 1 -0.669 -27.284 6.213 5 HA3 GLY 1 HA3 GLY 1 -2.237 -26.877 6.888 6 H ALA 2 H ALA 2 -4.023 -26.695 5.605 7 HA ALA 2 HA ALA 2 -3.807 -27.256 2.705 8 HB1 ALA 2 HB1 ALA 2 -6.010 -28.320 2.784 9 HB2 ALA 2 HB2 ALA 2 -6.251 -27.774 4.439 10 HB3 ALA 2 HB3 ALA 2 -5.019 -29.001 4.088 11 H MET 3 H MET 3 -4.223 -24.598 4.384 12 HA MET 3 HA MET 3 -6.298 -23.228 2.778 13 HB2 MET 3 HB2 MET 3 -5.321 -22.533 5.569 14 HB3 MET 3 HB3 MET 3 -6.035 -21.263 4.594 15 HG2 MET 3 HG2 MET 3 -8.112 -22.438 4.462 16 HG3 MET 3 HG3 MET 3 -7.415 -23.866 5.210 17 HE1 MET 3 HE1 MET 3 -9.943 -22.571 7.949 18 HE2 MET 3 HE2 MET 3 -9.427 -23.950 6.978 19 HE3 MET 3 HE3 MET 3 -10.161 -22.550 6.199 20 H GLU 4 H GLU 4 -6.000 -22.114 1.208 21 HA GLU 4 HA GLU 4 -3.466 -20.695 0.590 22 HB2 GLU 4 HB2 GLU 4 -5.529 -21.706 -1.491 23 HB3 GLU 4 HB3 GLU 4 -4.137 -20.714 -1.846 24 HG2 GLU 4 HG2 GLU 4 -3.796 -23.508 -0.665 25 HG3 GLU 4 HG3 GLU 4 -3.970 -23.255 -2.388 26 H MET 5 H MET 5 -3.593 -18.748 -0.948 27 HA MET 5 HA MET 5 -5.487 -16.719 -0.006 28 HB2 MET 5 HB2 MET 5 -3.586 -14.959 -0.384 29 HB3 MET 5 HB3 MET 5 -3.372 -16.032 0.978 30 HG2 MET 5 HG2 MET 5 -1.867 -17.357 -0.518 31 HG3 MET 5 HG3 MET 5 -1.907 -16.064 -1.684 32 HE1 MET 5 HE1 MET 5 0.838 -15.924 -1.502 33 HE2 MET 5 HE2 MET 5 0.830 -17.179 -0.264 34 HE3 MET 5 HE3 MET 5 1.695 -15.669 0.019 35 H GLU 6 H GLU 6 -5.822 -14.777 -1.266 36 HA GLU 6 HA GLU 6 -6.112 -14.978 -4.175 37 HB2 GLU 6 HB2 GLU 6 -8.593 -14.178 -4.253 38 HB3 GLU 6 HB3 GLU 6 -8.397 -15.782 -3.607 39 HG2 GLU 6 HG2 GLU 6 -8.879 -14.915 -1.304 40 HG3 GLU 6 HG3 GLU 6 -8.973 -13.277 -1.932 41 H TYR 7 H TYR 7 -5.545 -13.321 -5.377 42 HA TYR 7 HA TYR 7 -4.738 -10.760 -4.098 43 HB2 TYR 7 HB2 TYR 7 -3.734 -11.922 -6.759 44 HB3 TYR 7 HB3 TYR 7 -3.168 -10.455 -6.048 45 HD1 TYR 7 HD1 TYR 7 -3.065 -14.192 -5.521 46 HD2 TYR 7 HD2 TYR 7 -1.410 -10.420 -4.535 47 HE1 TYR 7 HE1 TYR 7 -1.176 -15.347 -4.507 48 HE2 TYR 7 HE2 TYR 7 0.593 -11.560 -3.543 49 HH TYR 7 HH TYR 7 1.126 -13.761 -2.551 50 H GLU 8 H GLU 8 -5.116 -8.662 -4.911 51 HA GLU 8 HA GLU 8 -7.120 -8.312 -7.092 52 HB2 GLU 8 HB2 GLU 8 -8.201 -8.206 -4.633 53 HB3 GLU 8 HB3 GLU 8 -7.455 -6.626 -4.533 54 HG2 GLU 8 HG2 GLU 8 -8.897 -5.818 -6.398 55 HG3 GLU 8 HG3 GLU 8 -9.585 -7.424 -6.577 56 H GLU 9 H GLU 9 -6.736 -6.803 -8.611 57 HA GLU 9 HA GLU 9 -4.777 -4.690 -8.178 58 HB2 GLU 9 HB2 GLU 9 -4.391 -4.564 -10.738 59 HB3 GLU 9 HB3 GLU 9 -3.921 -6.070 -9.987 60 HG2 GLU 9 HG2 GLU 9 -5.906 -7.214 -11.010 61 HG3 GLU 9 HG3 GLU 9 -6.423 -5.694 -11.722 62 H ILE 10 H ILE 10 -5.366 -2.698 -7.752 63 HA ILE 10 HA ILE 10 -7.913 -1.582 -8.807 64 HB ILE 10 HB ILE 10 -6.551 -0.804 -6.099 65 HG12 ILE 10 HG12 ILE 10 -9.289 -2.129 -5.949 66 HG13 ILE 10 HG13 ILE 10 -7.937 -3.176 -6.335 67 HG21 ILE 10 HG21 ILE 10 -7.976 1.117 -6.917 68 HG22 ILE 10 HG22 ILE 10 -8.723 0.466 -5.467 69 HG23 ILE 10 HG23 ILE 10 -9.391 0.055 -7.061 70 HD11 ILE 10 HD11 ILE 10 -8.418 -1.612 -3.773 71 HD12 ILE 10 HD12 ILE 10 -6.844 -2.276 -4.227 72 HD13 ILE 10 HD13 ILE 10 -8.211 -3.386 -3.958 73 H THR 11 H THR 11 -7.961 0.520 -9.724 74 HA THR 11 HA THR 11 -5.447 2.078 -10.134 75 HB THR 11 HB THR 11 -7.709 2.232 -12.278 76 HG1 THR 11 HG1 THR 11 -6.629 0.570 -13.480 77 HG21 THR 11 HG21 THR 11 -4.678 2.507 -12.603 78 HG22 THR 11 HG22 THR 11 -5.764 3.867 -12.436 79 HG23 THR 11 HG23 THR 11 -5.879 2.824 -13.862 80 H LEU 12 H LEU 12 -5.324 3.965 -9.254 81 HA LEU 12 HA LEU 12 -7.659 5.594 -8.462 82 HB2 LEU 12 HB2 LEU 12 -5.171 4.888 -6.917 83 HB3 LEU 12 HB3 LEU 12 -5.592 6.554 -6.764 84 HG LEU 12 HG LEU 12 -6.289 5.489 -4.810 85 HD11 LEU 12 HD11 LEU 12 -8.856 5.890 -6.270 86 HD12 LEU 12 HD12 LEU 12 -7.949 7.047 -5.300 87 HD13 LEU 12 HD13 LEU 12 -8.708 5.657 -4.528 88 HD21 LEU 12 HD21 LEU 12 -6.212 3.156 -5.358 89 HD22 LEU 12 HD22 LEU 12 -7.681 3.287 -6.325 90 HD23 LEU 12 HD23 LEU 12 -7.754 3.508 -4.577 91 H GLU 13 H GLU 13 -7.729 7.807 -8.699 92 HA GLU 13 HA GLU 13 -5.677 9.271 -10.295 93 HB2 GLU 13 HB2 GLU 13 -8.589 10.143 -9.658 94 HB3 GLU 13 HB3 GLU 13 -7.442 11.094 -10.588 95 HG2 GLU 13 HG2 GLU 13 -7.581 9.487 -12.404 96 HG3 GLU 13 HG3 GLU 13 -8.580 8.435 -11.414 97 H ARG 14 H ARG 14 -4.410 10.809 -9.407 98 HA ARG 14 HA ARG 14 -3.829 10.922 -6.634 99 HB2 ARG 14 HB2 ARG 14 -2.218 11.313 -8.719 100 HB3 ARG 14 HB3 ARG 14 -2.725 12.974 -8.662 101 HG2 ARG 14 HG2 ARG 14 -1.323 11.724 -6.262 102 HG3 ARG 14 HG3 ARG 14 -0.387 12.232 -7.655 103 HD2 ARG 14 HD2 ARG 14 -1.208 14.564 -7.324 104 HD3 ARG 14 HD3 ARG 14 -2.147 14.029 -5.933 105 HE ARG 14 HE ARG 14 0.606 13.350 -5.604 106 HH11 ARG 14 HH11 ARG 14 -1.375 16.376 -5.137 107 HH12 ARG 14 HH12 ARG 14 -0.223 17.054 -4.036 108 HH21 ARG 14 HH21 ARG 14 2.011 14.353 -4.160 109 HH22 ARG 14 HH22 ARG 14 1.664 15.915 -3.496 110 H GLY 15 H GLY 15 -4.790 11.750 -5.016 111 HA2 GLY 15 HA2 GLY 15 -7.058 13.522 -4.983 112 HA3 GLY 15 HA3 GLY 15 -6.253 12.903 -3.572 113 H ASN 16 H ASN 16 -7.623 15.427 -3.918 114 HA ASN 16 HA ASN 16 -5.835 17.721 -4.078 115 HB2 ASN 16 HB2 ASN 16 -8.810 17.563 -3.325 116 HB3 ASN 16 HB3 ASN 16 -7.936 19.079 -3.284 117 HD21 ASN 16 HD21 ASN 16 -7.437 20.115 -5.264 118 HD22 ASN 16 HD22 ASN 16 -8.128 19.631 -6.773 119 H SER 17 H SER 17 -7.090 15.845 -1.322 120 HA SER 17 HA SER 17 -5.777 17.446 0.771 121 HB2 SER 17 HB2 SER 17 -7.654 15.030 0.984 122 HB3 SER 17 HB3 SER 17 -6.908 15.789 2.385 123 HG SER 17 HG SER 17 -8.844 16.780 2.220 124 H GLY 18 H GLY 18 -5.063 14.449 -1.146 125 HA2 GLY 18 HA2 GLY 18 -2.755 13.739 -1.331 126 HA3 GLY 18 HA3 GLY 18 -2.635 13.839 0.418 127 H LEU 19 H LEU 19 -4.847 12.371 -2.018 128 HA LEU 19 HA LEU 19 -5.928 10.560 -2.386 129 HB2 LEU 19 HB2 LEU 19 -3.302 9.370 -1.741 130 HB3 LEU 19 HB3 LEU 19 -4.607 8.163 -1.686 131 HG LEU 19 HG LEU 19 -3.506 7.901 -3.582 132 HD11 LEU 19 HD11 LEU 19 -4.678 8.554 -5.600 133 HD12 LEU 19 HD12 LEU 19 -5.726 9.522 -4.526 134 HD13 LEU 19 HD13 LEU 19 -5.539 7.770 -4.257 135 HD21 LEU 19 HD21 LEU 19 -2.019 9.619 -3.395 136 HD22 LEU 19 HD22 LEU 19 -3.140 10.811 -4.111 137 HD23 LEU 19 HD23 LEU 19 -2.507 9.441 -5.097 138 H GLY 20 H GLY 20 -5.262 10.305 1.071 139 HA2 GLY 20 HA2 GLY 20 -7.155 10.376 2.643 140 HA3 GLY 20 HA3 GLY 20 -8.076 9.416 1.511 141 H PHE 21 H PHE 21 -4.679 8.581 2.439 142 HA PHE 21 HA PHE 21 -5.197 6.812 4.592 143 HB2 PHE 21 HB2 PHE 21 -4.427 4.631 3.545 144 HB3 PHE 21 HB3 PHE 21 -5.782 5.219 2.665 145 HD1 PHE 21 HD1 PHE 21 -5.258 6.372 0.239 146 HD2 PHE 21 HD2 PHE 21 -2.480 3.888 2.353 147 HE1 PHE 21 HE1 PHE 21 -4.062 5.964 -1.872 148 HE2 PHE 21 HE2 PHE 21 -1.270 3.456 0.231 149 HZ PHE 21 HZ PHE 21 -2.061 4.485 -1.880 150 H SER 22 H SER 22 -2.759 5.753 5.431 151 HA SER 22 HA SER 22 -0.456 7.056 4.235 152 HB2 SER 22 HB2 SER 22 -0.945 7.084 7.263 153 HB3 SER 22 HB3 SER 22 0.609 7.370 6.442 154 HG SER 22 HG SER 22 -1.732 8.905 5.944 155 H ILE 23 H ILE 23 1.582 5.919 4.333 156 HA ILE 23 HA ILE 23 1.376 3.141 5.127 157 HB ILE 23 HB ILE 23 2.842 2.383 3.107 158 HG12 ILE 23 HG12 ILE 23 1.819 3.279 0.835 159 HG13 ILE 23 HG13 ILE 23 1.229 4.648 1.739 160 HG21 ILE 23 HG21 ILE 23 0.912 1.467 3.836 161 HG22 ILE 23 HG22 ILE 23 0.623 1.667 2.054 162 HG23 ILE 23 HG23 ILE 23 -0.003 2.835 3.283 163 HD11 ILE 23 HD11 ILE 23 3.696 5.339 2.051 164 HD12 ILE 23 HD12 ILE 23 3.079 5.406 0.425 165 HD13 ILE 23 HD13 ILE 23 4.119 4.066 0.882 166 H ALA 24 H ALA 24 2.575 1.753 5.937 167 HA ALA 24 HA ALA 24 5.140 2.725 7.064 168 HB1 ALA 24 HB1 ALA 24 3.312 2.292 8.797 169 HB2 ALA 24 HB2 ALA 24 4.668 1.200 9.048 170 HB3 ALA 24 HB3 ALA 24 3.210 0.619 8.281 171 H GLY 25 H GLY 25 6.959 1.857 6.324 172 HA2 GLY 25 HA2 GLY 25 7.605 -0.846 5.737 173 HA3 GLY 25 HA3 GLY 25 7.135 -0.071 4.240 174 H GLY 26 H GLY 26 9.580 -1.190 4.443 175 HA2 GLY 26 HA2 GLY 26 11.577 0.660 3.890 176 HA3 GLY 26 HA3 GLY 26 11.695 0.419 5.612 177 H THR 27 H THR 27 13.680 0.026 3.634 178 HA THR 27 HA THR 27 14.495 -2.750 4.217 179 HB THR 27 HB THR 27 16.687 -2.072 2.777 180 HG1 THR 27 HG1 THR 27 14.896 -0.311 1.546 181 HG21 THR 27 HG21 THR 27 15.246 -3.893 2.122 182 HG22 THR 27 HG22 THR 27 15.668 -2.958 0.687 183 HG23 THR 27 HG23 THR 27 14.073 -2.780 1.422 184 H ASP 28 H ASP 28 15.504 0.610 4.861 185 HA ASP 28 HA ASP 28 17.407 -0.228 6.906 186 HB2 ASP 28 HB2 ASP 28 17.285 2.459 5.421 187 HB3 ASP 28 HB3 ASP 28 18.230 2.299 6.886 188 H ASN 29 H ASN 29 14.313 1.557 6.531 189 HA ASN 29 HA ASN 29 14.133 2.394 9.331 190 HB2 ASN 29 HB2 ASN 29 12.621 3.437 6.866 191 HB3 ASN 29 HB3 ASN 29 12.040 3.811 8.479 192 HD21 ASN 29 HD21 ASN 29 13.208 5.361 9.718 193 HD22 ASN 29 HD22 ASN 29 14.406 6.395 9.022 194 HA PRO 30 HA PRO 30 11.244 -1.395 10.220 195 HB2 PRO 30 HB2 PRO 30 11.450 -0.478 13.054 196 HB3 PRO 30 HB3 PRO 30 11.809 -2.051 12.358 197 HG2 PRO 30 HG2 PRO 30 13.833 -0.524 13.164 198 HG3 PRO 30 HG3 PRO 30 13.962 -1.447 11.655 199 HD2 PRO 30 HD2 PRO 30 13.345 1.492 12.006 200 HD3 PRO 30 HD3 PRO 30 14.492 0.700 10.916 201 H HIS 31 H HIS 31 9.081 -1.887 11.239 202 HA HIS 31 HA HIS 31 7.415 0.336 12.178 203 HB2 HIS 31 HB2 HIS 31 6.391 -0.400 9.979 204 HB3 HIS 31 HB3 HIS 31 6.369 -2.071 10.500 205 HD1 HIS 31 HD1 HIS 31 4.634 1.230 11.584 206 HD2 HIS 31 HD2 HIS 31 3.856 -2.850 11.419 207 HE1 HIS 31 HE1 HIS 31 2.321 0.947 12.523 208 HE2 HIS 31 HE2 HIS 31 1.848 -1.521 12.337 209 H ILE 32 H ILE 32 8.210 -3.179 12.821 210 HA ILE 32 HA ILE 32 6.779 -3.197 15.347 211 HB ILE 32 HB ILE 32 5.599 -4.552 13.500 212 HG12 ILE 32 HG12 ILE 32 5.568 -6.933 14.766 213 HG13 ILE 32 HG13 ILE 32 6.423 -5.884 15.921 214 HG21 ILE 32 HG21 ILE 32 7.849 -6.548 13.323 215 HG22 ILE 32 HG22 ILE 32 7.249 -5.454 12.072 216 HG23 ILE 32 HG23 ILE 32 6.220 -6.752 12.651 217 HD11 ILE 32 HD11 ILE 32 3.882 -6.088 16.368 218 HD12 ILE 32 HD12 ILE 32 3.681 -5.172 14.840 219 HD13 ILE 32 HD13 ILE 32 4.568 -4.464 16.191 220 H GLY 33 H GLY 33 9.677 -3.922 13.719 221 HA2 GLY 33 HA2 GLY 33 11.795 -3.641 15.177 222 HA3 GLY 33 HA3 GLY 33 11.273 -5.162 15.942 223 H ASP 34 H ASP 34 12.147 -3.539 12.847 224 HA ASP 34 HA ASP 34 13.175 -3.798 11.136 225 HB2 ASP 34 HB2 ASP 34 14.817 -5.967 12.487 226 HB3 ASP 34 HB3 ASP 34 15.149 -5.638 10.783 227 H ASP 35 H ASP 35 11.589 -3.858 9.962 228 HA ASP 35 HA ASP 35 10.223 -6.192 8.868 229 HB2 ASP 35 HB2 ASP 35 9.773 -3.284 8.980 230 HB3 ASP 35 HB3 ASP 35 8.924 -4.102 7.654 231 HA PRO 36 HA PRO 36 12.174 -6.036 4.510 232 HB2 PRO 36 HB2 PRO 36 10.766 -8.484 3.688 233 HB3 PRO 36 HB3 PRO 36 12.489 -8.258 3.976 234 HG2 PRO 36 HG2 PRO 36 10.893 -9.808 5.582 235 HG3 PRO 36 HG3 PRO 36 12.347 -8.985 6.168 236 HD2 PRO 36 HD2 PRO 36 9.461 -8.153 6.433 237 HD3 PRO 36 HD3 PRO 36 10.745 -8.137 7.663 238 H SER 37 H SER 37 8.560 -6.670 4.764 239 HA SER 37 HA SER 37 7.919 -5.493 2.130 240 HB2 SER 37 HB2 SER 37 5.654 -6.699 2.339 241 HB3 SER 37 HB3 SER 37 7.038 -7.779 2.334 242 HG SER 37 HG SER 37 5.357 -7.044 4.503 243 H ILE 38 H ILE 38 5.945 -4.055 1.741 244 HA ILE 38 HA ILE 38 5.585 -2.048 3.870 245 HB ILE 38 HB ILE 38 4.660 -1.445 0.984 246 HG12 ILE 38 HG12 ILE 38 6.929 -1.641 -0.030 247 HG13 ILE 38 HG13 ILE 38 6.974 -0.059 0.536 248 HG21 ILE 38 HG21 ILE 38 3.907 0.249 2.348 249 HG22 ILE 38 HG22 ILE 38 5.144 0.966 1.315 250 HG23 ILE 38 HG23 ILE 38 5.513 0.590 3.001 251 HD11 ILE 38 HD11 ILE 38 8.304 -2.269 2.103 252 HD12 ILE 38 HD12 ILE 38 8.515 -0.526 2.329 253 HD13 ILE 38 HD13 ILE 38 9.087 -1.318 0.852 254 H PHE 39 H PHE 39 3.771 -1.737 5.005 255 HA PHE 39 HA PHE 39 1.250 -3.232 4.556 256 HB2 PHE 39 HB2 PHE 39 2.561 -4.558 6.083 257 HB3 PHE 39 HB3 PHE 39 3.205 -3.180 6.914 258 HD1 PHE 39 HD1 PHE 39 -0.411 -4.564 6.681 259 HD2 PHE 39 HD2 PHE 39 2.955 -3.633 9.134 260 HE1 PHE 39 HE1 PHE 39 -1.657 -5.308 8.686 261 HE2 PHE 39 HE2 PHE 39 1.726 -4.369 11.141 262 HZ PHE 39 HZ PHE 39 -0.599 -5.203 10.912 263 H ILE 40 H ILE 40 -0.846 -2.264 5.257 264 HA ILE 40 HA ILE 40 -0.925 0.589 5.794 265 HB ILE 40 HB ILE 40 -3.525 -0.956 5.782 266 HG12 ILE 40 HG12 ILE 40 -2.598 -2.136 3.750 267 HG13 ILE 40 HG13 ILE 40 -3.918 -1.117 3.258 268 HG21 ILE 40 HG21 ILE 40 -4.576 0.855 4.523 269 HG22 ILE 40 HG22 ILE 40 -3.057 1.759 4.554 270 HG23 ILE 40 HG23 ILE 40 -3.883 1.361 6.065 271 HD11 ILE 40 HD11 ILE 40 -0.968 -0.797 2.759 272 HD12 ILE 40 HD12 ILE 40 -2.087 0.523 2.690 273 HD13 ILE 40 HD13 ILE 40 -2.312 -0.866 1.530 274 H THR 41 H THR 41 -1.789 1.569 7.436 275 HA THR 41 HA THR 41 -2.849 0.416 9.843 276 HB THR 41 HB THR 41 -1.185 1.633 11.550 277 HG1 THR 41 HG1 THR 41 0.403 2.555 10.598 278 HG21 THR 41 HG21 THR 41 0.177 -0.346 11.870 279 HG22 THR 41 HG22 THR 41 -0.140 -0.854 10.237 280 HG23 THR 41 HG23 THR 41 -1.467 -0.875 11.431 281 H LYS 42 H LYS 42 -2.387 3.458 7.959 282 HA LYS 42 HA LYS 42 -4.385 4.674 9.736 283 HB2 LYS 42 HB2 LYS 42 -1.859 5.759 9.555 284 HB3 LYS 42 HB3 LYS 42 -2.528 6.485 8.120 285 HG2 LYS 42 HG2 LYS 42 -3.884 6.889 10.751 286 HG3 LYS 42 HG3 LYS 42 -2.422 7.808 10.394 287 HD2 LYS 42 HD2 LYS 42 -3.631 8.677 8.317 288 HD3 LYS 42 HD3 LYS 42 -5.078 7.857 8.885 289 HE2 LYS 42 HE2 LYS 42 -3.594 9.832 10.520 290 HE3 LYS 42 HE3 LYS 42 -4.808 10.369 9.340 291 HZ1 LYS 42 HZ1 LYS 42 -5.775 10.261 11.600 292 HZ2 LYS 42 HZ2 LYS 42 -5.304 8.645 11.760 293 HZ3 LYS 42 HZ3 LYS 42 -6.487 9.069 10.629 294 H ILE 43 H ILE 43 -6.341 5.048 8.911 295 HA ILE 43 HA ILE 43 -6.722 5.610 6.092 296 HB ILE 43 HB ILE 43 -8.584 3.836 7.852 297 HG12 ILE 43 HG12 ILE 43 -6.939 2.263 6.898 298 HG13 ILE 43 HG13 ILE 43 -8.405 1.930 6.114 299 HG21 ILE 43 HG21 ILE 43 -9.616 4.722 5.158 300 HG22 ILE 43 HG22 ILE 43 -10.281 5.066 6.753 301 HG23 ILE 43 HG23 ILE 43 -10.340 3.412 6.118 302 HD11 ILE 43 HD11 ILE 43 -7.557 3.084 3.994 303 HD12 ILE 43 HD12 ILE 43 -6.473 1.783 4.539 304 HD13 ILE 43 HD13 ILE 43 -6.063 3.446 4.864 305 H ILE 44 H ILE 44 -7.702 7.620 5.629 306 HA ILE 44 HA ILE 44 -8.858 9.301 7.671 307 HB ILE 44 HB ILE 44 -8.125 9.908 4.679 308 HG12 ILE 44 HG12 ILE 44 -6.612 11.767 5.627 309 HG13 ILE 44 HG13 ILE 44 -6.894 11.034 7.219 310 HG21 ILE 44 HG21 ILE 44 -8.571 12.324 4.818 311 HG22 ILE 44 HG22 ILE 44 -9.380 12.075 6.375 312 HG23 ILE 44 HG23 ILE 44 -10.035 11.332 4.907 313 HD11 ILE 44 HD11 ILE 44 -5.573 9.836 4.824 314 HD12 ILE 44 HD12 ILE 44 -5.851 9.039 6.372 315 HD13 ILE 44 HD13 ILE 44 -4.719 10.427 6.287 316 HA PRO 45 HA PRO 45 -13.389 8.077 7.081 317 HB2 PRO 45 HB2 PRO 45 -14.198 10.651 8.393 318 HB3 PRO 45 HB3 PRO 45 -14.545 8.994 8.887 319 HG2 PRO 45 HG2 PRO 45 -12.794 10.461 10.262 320 HG3 PRO 45 HG3 PRO 45 -12.470 8.745 9.953 321 HD2 PRO 45 HD2 PRO 45 -11.363 11.157 8.497 322 HD3 PRO 45 HD3 PRO 45 -10.481 9.756 9.116 323 H GLY 46 H GLY 46 -12.354 11.210 5.696 324 HA2 GLY 46 HA2 GLY 46 -14.538 11.203 3.683 325 HA3 GLY 46 HA3 GLY 46 -14.012 12.693 4.431 326 H GLY 47 H GLY 47 -11.747 10.040 3.236 327 HA2 GLY 47 HA2 GLY 47 -10.561 11.761 1.172 328 HA3 GLY 47 HA3 GLY 47 -9.938 10.231 1.743 329 H ALA 48 H ALA 48 -9.565 10.322 -0.761 330 HA ALA 48 HA ALA 48 -11.699 9.666 -2.596 331 HB1 ALA 48 HB1 ALA 48 -9.865 11.256 -3.227 332 HB2 ALA 48 HB2 ALA 48 -10.018 9.938 -4.390 333 HB3 ALA 48 HB3 ALA 48 -8.719 9.925 -3.196 334 H ALA 49 H ALA 49 -8.975 7.694 -1.160 335 HA ALA 49 HA ALA 49 -9.540 5.249 -2.645 336 HB1 ALA 49 HB1 ALA 49 -7.217 5.890 -2.030 337 HB2 ALA 49 HB2 ALA 49 -7.645 4.251 -1.550 338 HB3 ALA 49 HB3 ALA 49 -7.597 5.538 -0.337 339 H ALA 50 H ALA 50 -10.659 6.448 0.494 340 HA ALA 50 HA ALA 50 -11.647 3.960 1.626 341 HB1 ALA 50 HB1 ALA 50 -10.745 5.778 3.112 342 HB2 ALA 50 HB2 ALA 50 -12.397 5.362 3.554 343 HB3 ALA 50 HB3 ALA 50 -12.080 6.822 2.632 344 H GLN 51 H GLN 51 -13.258 6.919 0.092 345 HA GLN 51 HA GLN 51 -15.915 5.754 0.044 346 HB2 GLN 51 HB2 GLN 51 -15.018 8.543 -0.817 347 HB3 GLN 51 HB3 GLN 51 -16.691 8.020 -0.870 348 HG2 GLN 51 HG2 GLN 51 -16.365 7.650 1.718 349 HG3 GLN 51 HG3 GLN 51 -14.947 8.613 1.519 350 HE21 GLN 51 HE21 GLN 51 -15.059 10.866 1.217 351 HE22 GLN 51 HE22 GLN 51 -16.524 11.769 1.362 352 H ASP 52 H ASP 52 -13.687 7.057 -2.717 353 HA ASP 52 HA ASP 52 -15.501 6.082 -4.762 354 HB2 ASP 52 HB2 ASP 52 -13.269 8.086 -4.725 355 HB3 ASP 52 HB3 ASP 52 -13.724 7.396 -6.257 356 H GLY 53 H GLY 53 -12.214 5.093 -3.652 357 HA2 GLY 53 HA2 GLY 53 -11.403 3.640 -6.089 358 HA3 GLY 53 HA3 GLY 53 -10.452 3.840 -4.644 359 H ARG 54 H ARG 54 -11.935 2.578 -2.655 360 HA ARG 54 HA ARG 54 -12.605 0.904 -1.586 361 HB2 ARG 54 HB2 ARG 54 -13.316 -0.477 -4.144 362 HB3 ARG 54 HB3 ARG 54 -13.382 -1.449 -2.679 363 HG2 ARG 54 HG2 ARG 54 -15.080 0.204 -1.778 364 HG3 ARG 54 HG3 ARG 54 -15.023 1.046 -3.328 365 HD2 ARG 54 HD2 ARG 54 -15.833 -0.985 -4.451 366 HD3 ARG 54 HD3 ARG 54 -15.893 -1.819 -2.899 367 HE ARG 54 HE ARG 54 -17.447 0.533 -2.714 368 HH11 ARG 54 HH11 ARG 54 -17.999 -2.681 -4.347 369 HH12 ARG 54 HH12 ARG 54 -19.720 -2.499 -4.298 370 HH21 ARG 54 HH21 ARG 54 -19.694 0.634 -2.718 371 HH22 ARG 54 HH22 ARG 54 -20.659 -0.641 -3.384 372 H LEU 55 H LEU 55 -10.335 1.417 -1.122 373 HA LEU 55 HA LEU 55 -8.987 -1.074 -0.420 374 HB2 LEU 55 HB2 LEU 55 -7.442 0.284 -1.637 375 HB3 LEU 55 HB3 LEU 55 -7.928 1.778 -0.878 376 HG LEU 55 HG LEU 55 -6.549 0.096 1.072 377 HD11 LEU 55 HD11 LEU 55 -5.005 0.530 -1.475 378 HD12 LEU 55 HD12 LEU 55 -5.515 -1.027 -0.812 379 HD13 LEU 55 HD13 LEU 55 -4.354 -0.035 0.065 380 HD21 LEU 55 HD21 LEU 55 -5.757 2.620 -0.329 381 HD22 LEU 55 HD22 LEU 55 -5.173 2.081 1.266 382 HD23 LEU 55 HD23 LEU 55 -6.883 2.504 1.000 383 H ARG 56 H ARG 56 -8.993 -1.831 1.543 384 HA ARG 56 HA ARG 56 -9.611 -0.246 3.952 385 HB2 ARG 56 HB2 ARG 56 -10.204 -3.244 3.415 386 HB3 ARG 56 HB3 ARG 56 -10.178 -2.641 5.044 387 HG2 ARG 56 HG2 ARG 56 -12.055 -1.165 4.478 388 HG3 ARG 56 HG3 ARG 56 -12.079 -1.890 2.856 389 HD2 ARG 56 HD2 ARG 56 -12.300 -4.052 3.782 390 HD3 ARG 56 HD3 ARG 56 -12.139 -3.371 5.401 391 HE ARG 56 HE ARG 56 -14.380 -2.161 4.098 392 HH11 ARG 56 HH11 ARG 56 -13.933 -5.425 5.666 393 HH12 ARG 56 HH12 ARG 56 -15.632 -5.609 5.944 394 HH21 ARG 56 HH21 ARG 56 -16.556 -2.539 4.525 395 HH22 ARG 56 HH22 ARG 56 -17.091 -3.991 5.301 396 H VAL 57 H VAL 57 -8.405 -0.688 5.981 397 HA VAL 57 HA VAL 57 -5.562 -0.697 5.961 398 HB VAL 57 HB VAL 57 -7.472 0.133 7.497 399 HG11 VAL 57 HG11 VAL 57 -7.424 -2.320 8.876 400 HG12 VAL 57 HG12 VAL 57 -8.645 -1.014 8.588 401 HG13 VAL 57 HG13 VAL 57 -7.398 -0.813 9.855 402 HG21 VAL 57 HG21 VAL 57 -5.903 0.562 9.467 403 HG22 VAL 57 HG22 VAL 57 -5.767 1.198 7.828 404 HG23 VAL 57 HG23 VAL 57 -4.708 -0.158 8.322 405 H ASN 58 H ASN 58 -7.571 -3.435 6.185 406 HA ASN 58 HA ASN 58 -5.524 -5.308 6.873 407 HB2 ASN 58 HB2 ASN 58 -7.391 -6.941 7.478 408 HB3 ASN 58 HB3 ASN 58 -7.624 -5.314 8.125 409 HD21 ASN 58 HD21 ASN 58 -9.497 -4.198 7.676 410 HD22 ASN 58 HD22 ASN 58 -10.817 -4.822 6.752 411 H ASP 59 H ASP 59 -5.942 -3.876 3.887 412 HA ASP 59 HA ASP 59 -6.121 -6.261 2.205 413 HB2 ASP 59 HB2 ASP 59 -6.395 -3.338 1.559 414 HB3 ASP 59 HB3 ASP 59 -5.852 -4.390 0.266 415 H SER 60 H SER 60 -3.452 -4.065 3.186 416 HA SER 60 HA SER 60 -1.201 -3.879 2.817 417 HB2 SER 60 HB2 SER 60 -1.332 -6.923 3.095 418 HB3 SER 60 HB3 SER 60 0.165 -6.007 3.247 419 HG SER 60 HG SER 60 -1.856 -5.055 4.833 420 H ILE 61 H ILE 61 0.241 -3.234 1.291 421 HA ILE 61 HA ILE 61 -0.138 -4.187 -1.464 422 HB ILE 61 HB ILE 61 1.552 -1.650 -0.626 423 HG12 ILE 61 HG12 ILE 61 -1.245 -1.480 -1.981 424 HG13 ILE 61 HG13 ILE 61 -1.089 -1.582 -0.245 425 HG21 ILE 61 HG21 ILE 61 1.518 -0.884 -3.051 426 HG22 ILE 61 HG22 ILE 61 0.694 -2.376 -3.503 427 HG23 ILE 61 HG23 ILE 61 2.329 -2.449 -2.884 428 HD11 ILE 61 HD11 ILE 61 0.020 0.668 -0.227 429 HD12 ILE 61 HD12 ILE 61 -1.574 0.735 -0.983 430 HD13 ILE 61 HD13 ILE 61 -0.128 0.728 -1.990 431 H LEU 62 H LEU 62 1.140 -5.528 -2.736 432 HA LEU 62 HA LEU 62 3.942 -6.057 -1.940 433 HB2 LEU 62 HB2 LEU 62 3.912 -8.072 -3.393 434 HB3 LEU 62 HB3 LEU 62 2.679 -8.180 -2.148 435 HG LEU 62 HG LEU 62 1.936 -7.517 -5.030 436 HD11 LEU 62 HD11 LEU 62 3.232 -9.507 -5.099 437 HD12 LEU 62 HD12 LEU 62 1.501 -9.876 -5.324 438 HD13 LEU 62 HD13 LEU 62 2.283 -10.188 -3.767 439 HD21 LEU 62 HD21 LEU 62 0.418 -8.935 -2.830 440 HD22 LEU 62 HD22 LEU 62 -0.190 -8.564 -4.445 441 HD23 LEU 62 HD23 LEU 62 0.170 -7.258 -3.315 442 H PHE 63 H PHE 63 2.046 -4.932 -4.756 443 HA PHE 63 HA PHE 63 4.542 -3.787 -5.904 444 HB2 PHE 63 HB2 PHE 63 2.514 -5.454 -7.500 445 HB3 PHE 63 HB3 PHE 63 3.599 -4.346 -8.317 446 HD1 PHE 63 HD1 PHE 63 3.538 -7.416 -6.165 447 HD2 PHE 63 HD2 PHE 63 5.816 -5.033 -8.817 448 HE1 PHE 63 HE1 PHE 63 5.122 -9.210 -6.285 449 HE2 PHE 63 HE2 PHE 63 7.510 -6.717 -8.961 450 HZ PHE 63 HZ PHE 63 7.222 -8.925 -7.714 451 H VAL 64 H VAL 64 4.461 -1.632 -6.734 452 HA VAL 64 HA VAL 64 1.884 -0.528 -7.350 453 HB VAL 64 HB VAL 64 2.701 1.784 -6.811 454 HG11 VAL 64 HG11 VAL 64 1.585 1.855 -4.526 455 HG12 VAL 64 HG12 VAL 64 1.521 0.083 -4.674 456 HG13 VAL 64 HG13 VAL 64 0.744 1.114 -5.887 457 HG21 VAL 64 HG21 VAL 64 4.839 1.731 -5.825 458 HG22 VAL 64 HG22 VAL 64 4.373 0.530 -4.607 459 HG23 VAL 64 HG23 VAL 64 3.786 2.200 -4.498 460 H ASN 65 H ASN 65 1.613 0.958 -9.033 461 HA ASN 65 HA ASN 65 1.921 1.886 -10.926 462 HB2 ASN 65 HB2 ASN 65 4.934 1.952 -10.255 463 HB3 ASN 65 HB3 ASN 65 4.718 2.261 -11.914 464 HD21 ASN 65 HD21 ASN 65 3.571 4.260 -12.495 465 HD22 ASN 65 HD22 ASN 65 3.455 5.560 -11.364 466 H GLU 66 H GLU 66 2.442 -1.286 -10.582 467 HA GLU 66 HA GLU 66 3.020 -3.214 -11.211 468 HB2 GLU 66 HB2 GLU 66 3.181 -4.155 -13.616 469 HB3 GLU 66 HB3 GLU 66 1.786 -3.133 -13.456 470 HG2 GLU 66 HG2 GLU 66 2.981 -1.361 -14.779 471 HG3 GLU 66 HG3 GLU 66 4.378 -2.419 -14.905 472 H VAL 67 H VAL 67 4.932 -1.260 -10.315 473 HA VAL 67 HA VAL 67 7.568 -2.359 -10.849 474 HB VAL 67 HB VAL 67 6.595 0.255 -10.785 475 HG11 VAL 67 HG11 VAL 67 7.583 0.214 -8.094 476 HG12 VAL 67 HG12 VAL 67 6.445 1.285 -9.020 477 HG13 VAL 67 HG13 VAL 67 8.194 1.561 -9.094 478 HG21 VAL 67 HG21 VAL 67 8.413 -0.347 -12.101 479 HG22 VAL 67 HG22 VAL 67 9.531 -0.238 -10.691 480 HG23 VAL 67 HG23 VAL 67 8.583 1.184 -11.273 481 H ASP 68 H ASP 68 9.105 -2.715 -9.134 482 HA ASP 68 HA ASP 68 7.960 -4.318 -7.068 483 HB2 ASP 68 HB2 ASP 68 10.252 -5.570 -6.896 484 HB3 ASP 68 HB3 ASP 68 9.412 -5.752 -8.412 485 H VAL 69 H VAL 69 7.410 -3.456 -5.449 486 HA VAL 69 HA VAL 69 9.121 -1.745 -3.817 487 HB VAL 69 HB VAL 69 6.495 -1.617 -4.684 488 HG11 VAL 69 HG11 VAL 69 5.039 -0.626 -2.859 489 HG12 VAL 69 HG12 VAL 69 6.123 -1.442 -1.709 490 HG13 VAL 69 HG13 VAL 69 5.224 -2.381 -2.908 491 HG21 VAL 69 HG21 VAL 69 6.483 0.750 -4.020 492 HG22 VAL 69 HG22 VAL 69 7.870 0.128 -4.951 493 HG23 VAL 69 HG23 VAL 69 7.988 0.373 -3.155 494 H ARG 70 H ARG 70 8.428 -4.814 -3.934 495 HA ARG 70 HA ARG 70 8.133 -5.956 -1.286 496 HB2 ARG 70 HB2 ARG 70 9.204 -7.142 -3.841 497 HB3 ARG 70 HB3 ARG 70 9.521 -8.020 -2.364 498 HG2 ARG 70 HG2 ARG 70 7.032 -8.109 -1.978 499 HG3 ARG 70 HG3 ARG 70 6.820 -7.368 -3.568 500 HD2 ARG 70 HD2 ARG 70 7.904 -9.232 -4.647 501 HD3 ARG 70 HD3 ARG 70 8.337 -9.938 -3.092 502 HE ARG 70 HE ARG 70 5.488 -9.632 -3.410 503 HH11 ARG 70 HH11 ARG 70 8.011 -12.130 -4.258 504 HH12 ARG 70 HH12 ARG 70 6.842 -13.407 -4.327 505 HH21 ARG 70 HH21 ARG 70 4.085 -11.400 -3.527 506 HH22 ARG 70 HH22 ARG 70 4.654 -12.988 -3.920 507 H GLU 71 H GLU 71 11.053 -4.339 -2.487 508 HA GLU 71 HA GLU 71 12.556 -4.506 -0.160 509 HB2 GLU 71 HB2 GLU 71 13.595 -6.142 -2.501 510 HB3 GLU 71 HB3 GLU 71 14.702 -5.127 -1.618 511 HG2 GLU 71 HG2 GLU 71 14.227 -6.445 0.464 512 HG3 GLU 71 HG3 GLU 71 13.024 -7.386 -0.404 513 H VAL 72 H VAL 72 12.031 -2.423 -0.184 514 HA VAL 72 HA VAL 72 13.834 -0.526 -1.458 515 HB VAL 72 HB VAL 72 12.150 1.163 -2.200 516 HG11 VAL 72 HG11 VAL 72 11.044 0.331 -4.169 517 HG12 VAL 72 HG12 VAL 72 11.437 -1.304 -3.656 518 HG13 VAL 72 HG13 VAL 72 12.738 -0.152 -3.999 519 HG21 VAL 72 HG21 VAL 72 9.767 -0.636 -1.504 520 HG22 VAL 72 HG22 VAL 72 9.657 0.959 -2.303 521 HG23 VAL 72 HG23 VAL 72 10.268 0.839 -0.668 522 H THR 73 H THR 73 13.919 1.651 -0.318 523 HA THR 73 HA THR 73 13.234 1.771 2.520 524 HB THR 73 HB THR 73 13.860 4.364 2.178 525 HG1 THR 73 HG1 THR 73 15.540 3.646 0.109 526 HG21 THR 73 HG21 THR 73 15.236 2.936 3.496 527 HG22 THR 73 HG22 THR 73 16.250 3.958 2.470 528 HG23 THR 73 HG23 THR 73 16.005 2.247 2.049 529 H HIS 74 H HIS 74 11.880 3.514 3.590 530 HA HIS 74 HA HIS 74 9.144 3.809 3.084 531 HB2 HIS 74 HB2 HIS 74 10.435 4.317 5.267 532 HB3 HIS 74 HB3 HIS 74 10.944 5.834 4.590 533 HD1 HIS 74 HD1 HIS 74 9.484 7.850 5.203 534 HD2 HIS 74 HD2 HIS 74 7.566 4.252 6.081 535 HE1 HIS 74 HE1 HIS 74 7.499 8.472 6.635 536 HE2 HIS 74 HE2 HIS 74 6.284 6.295 7.027 537 H SER 75 H SER 75 11.546 6.480 2.289 538 HA SER 75 HA SER 75 9.936 8.293 0.805 539 HB2 SER 75 HB2 SER 75 12.157 9.313 0.014 540 HB3 SER 75 HB3 SER 75 11.987 9.193 1.769 541 HG SER 75 HG SER 75 13.175 6.971 0.929 542 H ALA 76 H ALA 76 11.734 5.476 -0.361 543 HA ALA 76 HA ALA 76 11.598 5.783 -3.213 544 HB1 ALA 76 HB1 ALA 76 12.177 3.335 -1.553 545 HB2 ALA 76 HB2 ALA 76 13.372 4.531 -2.030 546 HB3 ALA 76 HB3 ALA 76 12.585 3.523 -3.267 547 H ALA 77 H ALA 77 9.236 4.358 -0.808 548 HA ALA 77 HA ALA 77 7.471 3.202 -2.856 549 HB1 ALA 77 HB1 ALA 77 6.186 2.263 -1.029 550 HB2 ALA 77 HB2 ALA 77 7.140 3.220 0.155 551 HB3 ALA 77 HB3 ALA 77 7.903 1.929 -0.799 552 H VAL 78 H VAL 78 7.597 6.105 -0.761 553 HA VAL 78 HA VAL 78 4.988 7.291 -1.470 554 HB VAL 78 HB VAL 78 7.480 8.663 -0.122 555 HG11 VAL 78 HG11 VAL 78 6.069 10.494 0.754 556 HG12 VAL 78 HG12 VAL 78 4.662 9.810 -0.061 557 HG13 VAL 78 HG13 VAL 78 5.993 10.483 -1.023 558 HG21 VAL 78 HG21 VAL 78 4.917 7.771 1.110 559 HG22 VAL 78 HG22 VAL 78 6.265 8.529 1.993 560 HG23 VAL 78 HG23 VAL 78 6.469 6.927 1.238 561 H GLU 79 H GLU 79 8.255 7.730 -2.904 562 HA GLU 79 HA GLU 79 7.757 9.734 -4.935 563 HB2 GLU 79 HB2 GLU 79 9.973 7.769 -4.573 564 HB3 GLU 79 HB3 GLU 79 10.005 8.810 -5.979 565 HG2 GLU 79 HG2 GLU 79 9.747 9.942 -3.254 566 HG3 GLU 79 HG3 GLU 79 11.384 9.512 -3.764 567 H ALA 80 H ALA 80 7.122 6.330 -5.056 568 HA ALA 80 HA ALA 80 6.421 6.067 -7.877 569 HB1 ALA 80 HB1 ALA 80 5.574 4.329 -5.520 570 HB2 ALA 80 HB2 ALA 80 7.032 4.084 -6.474 571 HB3 ALA 80 HB3 ALA 80 5.455 3.878 -7.225 572 H LEU 81 H LEU 81 4.674 7.295 -4.899 573 HA LEU 81 HA LEU 81 2.088 7.425 -6.208 574 HB2 LEU 81 HB2 LEU 81 2.577 8.062 -3.264 575 HB3 LEU 81 HB3 LEU 81 1.051 7.713 -4.018 576 HG LEU 81 HG LEU 81 3.237 5.756 -3.176 577 HD11 LEU 81 HD11 LEU 81 1.553 4.696 -1.898 578 HD12 LEU 81 HD12 LEU 81 0.429 5.990 -2.380 579 HD13 LEU 81 HD13 LEU 81 1.894 6.375 -1.449 580 HD21 LEU 81 HD21 LEU 81 0.794 4.914 -4.803 581 HD22 LEU 81 HD22 LEU 81 1.924 3.814 -3.970 582 HD23 LEU 81 HD23 LEU 81 2.515 4.891 -5.250 583 H LYS 82 H LYS 82 4.498 9.723 -5.087 584 HA LYS 82 HA LYS 82 2.953 12.147 -5.636 585 HB2 LYS 82 HB2 LYS 82 5.678 11.677 -4.419 586 HB3 LYS 82 HB3 LYS 82 5.315 13.280 -4.996 587 HG2 LYS 82 HG2 LYS 82 3.362 13.347 -3.386 588 HG3 LYS 82 HG3 LYS 82 3.863 11.775 -2.772 589 HD2 LYS 82 HD2 LYS 82 5.991 12.704 -2.041 590 HD3 LYS 82 HD3 LYS 82 5.593 14.266 -2.757 591 HE2 LYS 82 HE2 LYS 82 3.716 14.491 -1.178 592 HE3 LYS 82 HE3 LYS 82 4.126 12.930 -0.471 593 HZ1 LYS 82 HZ1 LYS 82 5.002 14.756 0.844 594 HZ2 LYS 82 HZ2 LYS 82 5.871 15.334 -0.486 595 HZ3 LYS 82 HZ3 LYS 82 6.267 13.838 0.193 596 H GLU 83 H GLU 83 5.663 10.417 -7.245 597 HA GLU 83 HA GLU 83 6.033 12.476 -9.327 598 HB2 GLU 83 HB2 GLU 83 7.508 9.991 -8.836 599 HB3 GLU 83 HB3 GLU 83 7.815 10.851 -10.346 600 HG2 GLU 83 HG2 GLU 83 8.041 12.834 -8.962 601 HG3 GLU 83 HG3 GLU 83 8.151 11.775 -7.561 602 H ALA 84 H ALA 84 4.128 9.568 -9.439 603 HA ALA 84 HA ALA 84 4.106 9.061 -12.282 604 HB1 ALA 84 HB1 ALA 84 2.185 7.608 -11.958 605 HB2 ALA 84 HB2 ALA 84 1.772 8.400 -10.457 606 HB3 ALA 84 HB3 ALA 84 3.247 7.436 -10.561 607 H GLY 85 H GLY 85 2.383 11.548 -10.577 608 HA2 GLY 85 HA2 GLY 85 2.242 13.782 -11.705 609 HA3 GLY 85 HA3 GLY 85 1.798 12.805 -13.095 610 H SER 86 H SER 86 -0.355 11.327 -12.084 611 HA SER 86 HA SER 86 -2.605 12.906 -11.221 612 HB2 SER 86 HB2 SER 86 -2.190 13.877 -13.474 613 HB3 SER 86 HB3 SER 86 -2.492 12.327 -14.241 614 HG SER 86 HG SER 86 -4.693 12.639 -12.988 615 H ILE 87 H ILE 87 -1.311 9.940 -12.734 616 HA ILE 87 HA ILE 87 -3.524 8.285 -11.675 617 HB ILE 87 HB ILE 87 -2.195 7.598 -14.398 618 HG12 ILE 87 HG12 ILE 87 -3.651 9.539 -14.828 619 HG13 ILE 87 HG13 ILE 87 -4.306 8.189 -15.741 620 HG21 ILE 87 HG21 ILE 87 -2.825 5.530 -13.437 621 HG22 ILE 87 HG22 ILE 87 -3.838 5.769 -14.887 622 HG23 ILE 87 HG23 ILE 87 -4.501 6.044 -13.254 623 HD11 ILE 87 HD11 ILE 87 -6.108 9.713 -14.851 624 HD12 ILE 87 HD12 ILE 87 -5.500 9.475 -13.199 625 HD13 ILE 87 HD13 ILE 87 -6.216 8.143 -14.050 626 H VAL 88 H VAL 88 -3.053 6.896 -10.344 627 HA VAL 88 HA VAL 88 -0.523 5.451 -10.243 628 HB VAL 88 HB VAL 88 -0.380 5.348 -7.743 629 HG11 VAL 88 HG11 VAL 88 0.619 7.638 -7.280 630 HG12 VAL 88 HG12 VAL 88 -0.009 8.138 -8.844 631 HG13 VAL 88 HG13 VAL 88 1.177 6.872 -8.757 632 HG21 VAL 88 HG21 VAL 88 -2.587 6.010 -6.892 633 HG22 VAL 88 HG22 VAL 88 -2.399 7.652 -7.533 634 HG23 VAL 88 HG23 VAL 88 -1.385 7.104 -6.191 635 H ARG 89 H ARG 89 -0.475 3.388 -10.270 636 HA ARG 89 HA ARG 89 -2.925 1.848 -9.747 637 HB2 ARG 89 HB2 ARG 89 -2.396 0.171 -11.771 638 HB3 ARG 89 HB3 ARG 89 -2.902 1.757 -12.230 639 HG2 ARG 89 HG2 ARG 89 -0.551 2.284 -12.793 640 HG3 ARG 89 HG3 ARG 89 -0.120 0.617 -12.365 641 HD2 ARG 89 HD2 ARG 89 -1.739 -0.215 -13.893 642 HD3 ARG 89 HD3 ARG 89 -2.226 1.426 -14.298 643 HE ARG 89 HE ARG 89 0.573 1.132 -14.813 644 HH11 ARG 89 HH11 ARG 89 -2.404 0.089 -16.644 645 HH12 ARG 89 HH12 ARG 89 -1.557 0.048 -18.153 646 HH21 ARG 89 HH21 ARG 89 1.542 1.037 -16.843 647 HH22 ARG 89 HH22 ARG 89 0.649 0.577 -18.254 648 H LEU 90 H LEU 90 -3.012 0.734 -8.056 649 HA LEU 90 HA LEU 90 -0.674 -0.566 -6.840 650 HB2 LEU 90 HB2 LEU 90 -1.938 -0.362 -4.597 651 HB3 LEU 90 HB3 LEU 90 -1.528 1.169 -5.308 652 HG LEU 90 HG LEU 90 -4.126 1.061 -6.020 653 HD11 LEU 90 HD11 LEU 90 -5.470 0.060 -4.198 654 HD12 LEU 90 HD12 LEU 90 -3.972 -0.658 -3.554 655 HD13 LEU 90 HD13 LEU 90 -4.562 -1.130 -5.144 656 HD21 LEU 90 HD21 LEU 90 -4.568 2.399 -4.033 657 HD22 LEU 90 HD22 LEU 90 -2.963 2.739 -4.725 658 HD23 LEU 90 HD23 LEU 90 -3.102 1.742 -3.281 659 H TYR 91 H TYR 91 -0.456 -2.537 -6.105 660 HA TYR 91 HA TYR 91 -2.514 -4.604 -6.580 661 HB2 TYR 91 HB2 TYR 91 -0.304 -4.621 -8.181 662 HB3 TYR 91 HB3 TYR 91 0.461 -5.216 -6.788 663 HD1 TYR 91 HD1 TYR 91 -2.835 -6.414 -8.310 664 HD2 TYR 91 HD2 TYR 91 1.133 -7.373 -7.148 665 HE1 TYR 91 HE1 TYR 91 -3.313 -8.647 -8.825 666 HE2 TYR 91 HE2 TYR 91 0.747 -9.697 -7.681 667 HH TYR 91 HH TYR 91 -1.988 -10.754 -9.489 668 H VAL 92 H VAL 92 -3.365 -5.305 -4.913 669 HA VAL 92 HA VAL 92 -1.957 -5.636 -2.318 670 HB VAL 92 HB VAL 92 -4.132 -5.373 -1.060 671 HG11 VAL 92 HG11 VAL 92 -3.832 -3.100 -2.965 672 HG12 VAL 92 HG12 VAL 92 -3.003 -3.325 -1.422 673 HG13 VAL 92 HG13 VAL 92 -4.750 -3.061 -1.459 674 HG21 VAL 92 HG21 VAL 92 -6.346 -4.762 -2.221 675 HG22 VAL 92 HG22 VAL 92 -5.650 -6.389 -2.515 676 HG23 VAL 92 HG23 VAL 92 -5.513 -5.195 -3.772 677 H MET 93 H MET 93 -2.693 -7.249 -0.725 678 HA MET 93 HA MET 93 -3.272 -9.995 -1.671 679 HB2 MET 93 HB2 MET 93 -1.308 -11.124 -0.382 680 HB3 MET 93 HB3 MET 93 -0.802 -10.084 -1.688 681 HG2 MET 93 HG2 MET 93 -0.036 -8.378 -0.069 682 HG3 MET 93 HG3 MET 93 -0.607 -9.370 1.269 683 HE1 MET 93 HE1 MET 93 2.357 -8.199 1.088 684 HE2 MET 93 HE2 MET 93 3.297 -9.600 1.600 685 HE3 MET 93 HE3 MET 93 1.788 -9.204 2.422 686 H ARG 94 H ARG 94 -4.895 -11.069 -0.684 687 HA ARG 94 HA ARG 94 -5.277 -11.023 2.170 688 HB2 ARG 94 HB2 ARG 94 -7.841 -10.545 2.128 689 HB3 ARG 94 HB3 ARG 94 -6.860 -9.164 1.750 690 HG2 ARG 94 HG2 ARG 94 -7.540 -9.358 -0.644 691 HG3 ARG 94 HG3 ARG 94 -8.481 -10.804 -0.254 692 HD2 ARG 94 HD2 ARG 94 -9.824 -9.444 1.332 693 HD3 ARG 94 HD3 ARG 94 -8.929 -8.014 0.825 694 HE ARG 94 HE ARG 94 -10.024 -9.174 -1.482 695 HH11 ARG 94 HH11 ARG 94 -11.555 -7.397 1.316 696 HH12 ARG 94 HH12 ARG 94 -12.940 -6.948 0.378 697 HH21 ARG 94 HH21 ARG 94 -11.889 -8.520 -2.573 698 HH22 ARG 94 HH22 ARG 94 -13.116 -7.581 -1.791 699 H ARG 95 H ARG 95 -6.313 -12.697 3.200 700 HA ARG 95 HA ARG 95 -6.233 -15.309 1.915 701 HB2 ARG 95 HB2 ARG 95 -6.455 -14.526 4.840 702 HB3 ARG 95 HB3 ARG 95 -6.866 -16.169 4.385 703 HG2 ARG 95 HG2 ARG 95 -4.612 -16.440 3.431 704 HG3 ARG 95 HG3 ARG 95 -4.186 -14.813 3.973 705 HD2 ARG 95 HD2 ARG 95 -4.632 -15.506 6.306 706 HD3 ARG 95 HD3 ARG 95 -5.015 -17.131 5.729 707 HE ARG 95 HE ARG 95 -2.406 -16.356 4.867 708 HH11 ARG 95 HH11 ARG 95 -3.795 -17.684 7.967 709 HH12 ARG 95 HH12 ARG 95 -2.257 -18.285 8.489 710 HH21 ARG 95 HH21 ARG 95 -0.479 -17.190 5.671 711 HH22 ARG 95 HH22 ARG 95 -0.409 -18.004 7.199 712 H LYS 96 H LYS 96 -7.677 -16.965 1.775 713 HA LYS 96 HA LYS 96 -10.273 -16.328 0.690 714 HB2 LYS 96 HB2 LYS 96 -8.889 -19.034 0.974 715 HB3 LYS 96 HB3 LYS 96 -10.512 -18.921 0.338 716 HG2 LYS 96 HG2 LYS 96 -9.695 -17.640 -1.589 717 HG3 LYS 96 HG3 LYS 96 -8.069 -17.610 -0.906 718 HD2 LYS 96 HD2 LYS 96 -7.926 -20.060 -1.096 719 HD3 LYS 96 HD3 LYS 96 -9.566 -20.131 -1.730 720 HE2 LYS 96 HE2 LYS 96 -7.307 -18.649 -3.125 721 HE3 LYS 96 HE3 LYS 96 -7.634 -20.348 -3.415 722 HZ1 LYS 96 HZ1 LYS 96 -9.847 -19.727 -4.257 723 HZ2 LYS 96 HZ2 LYS 96 -8.633 -18.942 -5.133 724 HZ3 LYS 96 HZ3 LYS 96 -9.517 -18.088 -3.972 725 HA PRO 97 HA PRO 97 -13.214 -17.094 4.353 726 HB2 PRO 97 HB2 PRO 97 -15.488 -16.413 2.555 727 HB3 PRO 97 HB3 PRO 97 -14.953 -15.590 4.018 728 HG2 PRO 97 HG2 PRO 97 -14.654 -14.457 1.603 729 HG3 PRO 97 HG3 PRO 97 -13.424 -14.258 2.865 730 HD2 PRO 97 HD2 PRO 97 -13.434 -16.155 0.523 731 HD3 PRO 97 HD3 PRO 97 -12.135 -15.071 1.071 732 HA PRO 98 HA PRO 98 -15.005 -21.484 3.725 733 HB2 PRO 98 HB2 PRO 98 -16.959 -21.103 5.956 734 HB3 PRO 98 HB3 PRO 98 -15.652 -22.278 5.808 735 HG2 PRO 98 HG2 PRO 98 -15.449 -20.244 7.526 736 HG3 PRO 98 HG3 PRO 98 -14.039 -20.774 6.590 737 HD2 PRO 98 HD2 PRO 98 -15.879 -18.440 6.074 738 HD3 PRO 98 HD3 PRO 98 -14.101 -18.469 6.098 739 H ALA 99 H ALA 99 -17.579 -18.902 3.866 740 HA ALA 99 HA ALA 99 -19.428 -20.439 2.161 741 HB1 ALA 99 HB1 ALA 99 -20.239 -18.138 4.014 742 HB2 ALA 99 HB2 ALA 99 -20.418 -19.848 4.405 743 HB3 ALA 99 HB3 ALA 99 -21.340 -19.151 3.075 744 H1 VAL 1 H1 VAL 1 4.116 1.570 17.171 745 H2 VAL 1 H2 VAL 1 5.355 1.188 16.086 746 H3 VAL 1 H3 VAL 1 5.570 2.438 17.203 747 HA VAL 1 HA VAL 1 5.662 1.061 18.992 748 HB VAL 1 HB VAL 1 5.534 -1.527 18.934 749 HG11 VAL 1 HG11 VAL 1 3.106 -1.705 19.129 750 HG12 VAL 1 HG12 VAL 1 3.002 -0.066 18.442 751 HG13 VAL 1 HG13 VAL 1 3.843 -0.326 19.974 752 HG21 VAL 1 HG21 VAL 1 4.125 -2.698 17.179 753 HG22 VAL 1 HG22 VAL 1 5.601 -2.054 16.480 754 HG23 VAL 1 HG23 VAL 1 4.080 -1.204 16.236 755 H VAL 2 H VAL 2 7.491 1.229 19.790 756 HA VAL 2 HA VAL 2 9.638 1.534 20.088 757 HB VAL 2 HB VAL 2 11.413 -0.349 19.758 758 HG11 VAL 2 HG11 VAL 2 8.925 -1.133 21.216 759 HG12 VAL 2 HG12 VAL 2 10.290 -0.201 21.832 760 HG13 VAL 2 HG13 VAL 2 10.501 -1.902 21.411 761 HG21 VAL 2 HG21 VAL 2 9.094 -2.070 18.677 762 HG22 VAL 2 HG22 VAL 2 10.657 -2.702 19.170 763 HG23 VAL 2 HG23 VAL 2 10.545 -1.625 17.782 764 H SER 3 H SER 3 9.113 1.286 16.712 765 HA SER 3 HA SER 3 10.672 3.403 15.695 766 HB2 SER 3 HB2 SER 3 11.844 0.640 14.898 767 HB3 SER 3 HB3 SER 3 12.214 2.146 14.068 768 HG SER 3 HG SER 3 13.763 1.325 15.721 769 H GLU 4 H GLU 4 9.137 4.333 14.599 770 HA GLU 4 HA GLU 4 7.574 2.731 12.688 771 HB2 GLU 4 HB2 GLU 4 6.170 2.831 14.792 772 HB3 GLU 4 HB3 GLU 4 6.099 4.608 14.733 773 HG2 GLU 4 HG2 GLU 4 4.638 4.068 12.547 774 HG3 GLU 4 HG3 GLU 4 4.985 2.435 13.224 775 H ARG 5 H ARG 5 7.554 6.324 13.593 776 HA ARG 5 HA ARG 5 7.344 8.256 12.569 777 HB2 ARG 5 HB2 ARG 5 8.752 7.080 10.072 778 HB3 ARG 5 HB3 ARG 5 8.225 8.749 10.113 779 HG2 ARG 5 HG2 ARG 5 9.774 9.170 11.993 780 HG3 ARG 5 HG3 ARG 5 10.290 7.485 11.931 781 HD2 ARG 5 HD2 ARG 5 11.087 7.823 9.629 782 HD3 ARG 5 HD3 ARG 5 10.577 9.508 9.703 783 HE ARG 5 HE ARG 5 12.324 9.045 11.861 784 HH11 ARG 5 HH11 ARG 5 12.903 9.317 8.270 785 HH12 ARG 5 HH12 ARG 5 14.549 9.806 8.495 786 HH21 ARG 5 HH21 ARG 5 14.472 9.688 11.998 787 HH22 ARG 5 HH22 ARG 5 15.419 10.010 10.583 788 H ILE 6 H ILE 6 6.071 5.876 10.169 789 HA ILE 6 HA ILE 6 4.402 5.699 8.844 790 HB ILE 6 HB ILE 6 3.290 4.693 10.850 791 HG12 ILE 6 HG12 ILE 6 0.954 4.401 10.397 792 HG13 ILE 6 HG13 ILE 6 0.723 5.964 9.571 793 HG21 ILE 6 HG21 ILE 6 1.601 5.737 12.262 794 HG22 ILE 6 HG22 ILE 6 1.979 7.291 11.512 795 HG23 ILE 6 HG23 ILE 6 3.223 6.427 12.430 796 HD11 ILE 6 HD11 ILE 6 2.025 4.721 7.663 797 HD12 ILE 6 HD12 ILE 6 0.467 4.072 7.994 798 HD13 ILE 6 HD13 ILE 6 1.930 3.349 8.731 799 H SER 7 H SER 7 4.011 8.996 9.810 800 HA SER 7 HA SER 7 2.056 9.953 8.004 801 HB2 SER 7 HB2 SER 7 4.339 11.593 9.213 802 HB3 SER 7 HB3 SER 7 3.028 12.332 8.302 803 HG SER 7 HG SER 7 3.074 11.528 10.878 804 H SER 8 H SER 8 1.976 9.101 6.131 805 HA SER 8 HA SER 8 3.702 9.839 3.853 806 HB2 SER 8 HB2 SER 8 2.803 6.899 4.480 807 HB3 SER 8 HB3 SER 8 3.588 7.409 3.015 808 HG SER 8 HG SER 8 5.118 6.575 4.436 809 H VAL 9 H VAL 9 2.233 8.248 1.807 810 HA VAL 9 HA VAL 9 -0.393 9.585 1.600 811 HB VAL 9 HB VAL 9 1.251 8.825 -1.028 812 HG11 VAL 9 HG11 VAL 9 -1.068 9.365 -1.488 813 HG12 VAL 9 HG12 VAL 9 0.004 10.559 -2.219 814 HG13 VAL 9 HG13 VAL 9 -0.876 10.954 -0.742 815 HG21 VAL 9 HG21 VAL 9 2.736 10.446 0.118 816 HG22 VAL 9 HG22 VAL 9 1.416 11.610 0.216 817 HG23 VAL 9 HG23 VAL 9 2.062 11.143 -1.357 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -8.852 -31.343 -4.810 2 H2 GLY 1 H2 GLY 1 -10.204 -32.188 -4.246 3 H3 GLY 1 H3 GLY 1 -8.687 -32.462 -3.549 4 HA2 GLY 1 HA2 GLY 1 -10.236 -29.928 -3.414 5 HA3 GLY 1 HA3 GLY 1 -10.056 -31.086 -2.107 6 H ALA 2 H ALA 2 -8.541 -28.544 -4.007 7 HA ALA 2 HA ALA 2 -6.153 -28.355 -2.253 8 HB1 ALA 2 HB1 ALA 2 -5.599 -28.766 -4.674 9 HB2 ALA 2 HB2 ALA 2 -4.948 -27.227 -4.114 10 HB3 ALA 2 HB3 ALA 2 -6.408 -27.254 -5.100 11 H MET 3 H MET 3 -5.682 -26.569 -0.981 12 HA MET 3 HA MET 3 -7.503 -24.279 -0.925 13 HB2 MET 3 HB2 MET 3 -7.031 -25.913 1.137 14 HB3 MET 3 HB3 MET 3 -5.520 -25.049 1.298 15 HG2 MET 3 HG2 MET 3 -6.782 -22.974 1.707 16 HG3 MET 3 HG3 MET 3 -8.286 -23.891 1.548 17 HE1 MET 3 HE1 MET 3 -9.058 -22.917 3.954 18 HE2 MET 3 HE2 MET 3 -7.533 -22.043 4.098 19 HE3 MET 3 HE3 MET 3 -8.087 -23.072 5.419 20 H GLU 4 H GLU 4 -6.895 -22.540 -2.067 21 HA GLU 4 HA GLU 4 -4.208 -21.447 -1.970 22 HB2 GLU 4 HB2 GLU 4 -4.488 -20.455 -4.350 23 HB3 GLU 4 HB3 GLU 4 -4.297 -22.191 -4.271 24 HG2 GLU 4 HG2 GLU 4 -6.723 -22.442 -4.672 25 HG3 GLU 4 HG3 GLU 4 -6.895 -20.691 -4.738 26 H MET 5 H MET 5 -4.072 -18.942 -2.773 27 HA MET 5 HA MET 5 -5.986 -17.319 -1.270 28 HB2 MET 5 HB2 MET 5 -4.123 -15.570 -0.945 29 HB3 MET 5 HB3 MET 5 -3.789 -17.087 -0.145 30 HG2 MET 5 HG2 MET 5 -2.273 -17.610 -2.101 31 HG3 MET 5 HG3 MET 5 -2.458 -15.989 -2.674 32 HE1 MET 5 HE1 MET 5 -1.062 -13.806 -1.534 33 HE2 MET 5 HE2 MET 5 -0.330 -13.880 0.068 34 HE3 MET 5 HE3 MET 5 -2.081 -13.988 -0.105 35 H GLU 6 H GLU 6 -6.194 -14.904 -1.994 36 HA GLU 6 HA GLU 6 -6.582 -14.624 -4.879 37 HB2 GLU 6 HB2 GLU 6 -8.974 -13.587 -4.692 38 HB3 GLU 6 HB3 GLU 6 -8.900 -15.291 -4.344 39 HG2 GLU 6 HG2 GLU 6 -9.196 -14.800 -1.904 40 HG3 GLU 6 HG3 GLU 6 -9.178 -13.076 -2.242 41 H TYR 7 H TYR 7 -5.915 -12.933 -5.892 42 HA TYR 7 HA TYR 7 -4.991 -10.527 -4.411 43 HB2 TYR 7 HB2 TYR 7 -4.001 -11.555 -7.137 44 HB3 TYR 7 HB3 TYR 7 -3.389 -10.147 -6.341 45 HD1 TYR 7 HD1 TYR 7 -3.382 -13.894 -6.165 46 HD2 TYR 7 HD2 TYR 7 -1.653 -10.290 -4.720 47 HE1 TYR 7 HE1 TYR 7 -1.591 -15.201 -5.211 48 HE2 TYR 7 HE2 TYR 7 0.261 -11.577 -3.779 49 HH TYR 7 HH TYR 7 0.797 -14.871 -4.527 50 H GLU 8 H GLU 8 -5.267 -8.401 -5.086 51 HA GLU 8 HA GLU 8 -7.269 -7.766 -7.209 52 HB2 GLU 8 HB2 GLU 8 -7.509 -7.022 -4.354 53 HB3 GLU 8 HB3 GLU 8 -7.752 -5.653 -5.414 54 HG2 GLU 8 HG2 GLU 8 -9.535 -6.976 -6.576 55 HG3 GLU 8 HG3 GLU 8 -9.283 -8.267 -5.403 56 H GLU 9 H GLU 9 -6.902 -6.273 -8.714 57 HA GLU 9 HA GLU 9 -4.809 -4.292 -8.294 58 HB2 GLU 9 HB2 GLU 9 -4.412 -4.116 -10.828 59 HB3 GLU 9 HB3 GLU 9 -4.046 -5.680 -10.126 60 HG2 GLU 9 HG2 GLU 9 -6.092 -6.663 -11.199 61 HG3 GLU 9 HG3 GLU 9 -6.505 -5.090 -11.864 62 H ILE 10 H ILE 10 -5.375 -2.341 -7.750 63 HA ILE 10 HA ILE 10 -7.894 -1.104 -8.787 64 HB ILE 10 HB ILE 10 -6.624 -0.556 -5.980 65 HG12 ILE 10 HG12 ILE 10 -9.382 -1.865 -6.040 66 HG13 ILE 10 HG13 ILE 10 -8.024 -2.880 -6.480 67 HG21 ILE 10 HG21 ILE 10 -9.412 0.401 -6.984 68 HG22 ILE 10 HG22 ILE 10 -8.012 1.441 -6.689 69 HG23 ILE 10 HG23 ILE 10 -8.822 0.663 -5.327 70 HD11 ILE 10 HD11 ILE 10 -7.000 -2.218 -4.264 71 HD12 ILE 10 HD12 ILE 10 -8.410 -3.310 -4.179 72 HD13 ILE 10 HD13 ILE 10 -8.601 -1.581 -3.789 73 H THR 11 H THR 11 -7.992 1.041 -9.572 74 HA THR 11 HA THR 11 -5.570 2.716 -9.757 75 HB THR 11 HB THR 11 -7.036 3.864 -11.772 76 HG1 THR 11 HG1 THR 11 -8.513 2.638 -12.484 77 HG21 THR 11 HG21 THR 11 -4.714 3.395 -11.983 78 HG22 THR 11 HG22 THR 11 -5.521 2.747 -13.418 79 HG23 THR 11 HG23 THR 11 -4.995 1.657 -12.122 80 H LEU 12 H LEU 12 -5.374 4.598 -8.967 81 HA LEU 12 HA LEU 12 -7.670 6.324 -8.205 82 HB2 LEU 12 HB2 LEU 12 -5.209 5.692 -6.500 83 HB3 LEU 12 HB3 LEU 12 -6.047 7.187 -6.236 84 HG LEU 12 HG LEU 12 -6.620 5.794 -4.452 85 HD11 LEU 12 HD11 LEU 12 -8.998 5.281 -4.427 86 HD12 LEU 12 HD12 LEU 12 -9.057 5.659 -6.148 87 HD13 LEU 12 HD13 LEU 12 -8.579 6.900 -4.992 88 HD21 LEU 12 HD21 LEU 12 -5.861 3.633 -5.155 89 HD22 LEU 12 HD22 LEU 12 -7.213 3.468 -6.274 90 HD23 LEU 12 HD23 LEU 12 -7.506 3.482 -4.535 91 H GLU 13 H GLU 13 -7.501 8.613 -8.276 92 HA GLU 13 HA GLU 13 -5.431 9.876 -10.031 93 HB2 GLU 13 HB2 GLU 13 -8.141 11.087 -9.080 94 HB3 GLU 13 HB3 GLU 13 -7.039 11.851 -10.200 95 HG2 GLU 13 HG2 GLU 13 -7.593 10.206 -11.899 96 HG3 GLU 13 HG3 GLU 13 -8.535 9.302 -10.723 97 H ARG 14 H ARG 14 -3.919 11.223 -9.221 98 HA ARG 14 HA ARG 14 -3.608 11.781 -6.352 99 HB2 ARG 14 HB2 ARG 14 -1.728 10.588 -7.632 100 HB3 ARG 14 HB3 ARG 14 -1.495 12.007 -8.605 101 HG2 ARG 14 HG2 ARG 14 -0.988 12.264 -5.628 102 HG3 ARG 14 HG3 ARG 14 0.159 11.319 -6.565 103 HD2 ARG 14 HD2 ARG 14 0.632 13.267 -7.990 104 HD3 ARG 14 HD3 ARG 14 -0.604 14.205 -7.158 105 HE ARG 14 HE ARG 14 1.356 13.284 -5.303 106 HH11 ARG 14 HH11 ARG 14 1.199 16.004 -7.736 107 HH12 ARG 14 HH12 ARG 14 2.374 16.944 -6.879 108 HH21 ARG 14 HH21 ARG 14 2.867 14.624 -4.300 109 HH22 ARG 14 HH22 ARG 14 3.299 16.165 -4.963 110 H GLY 15 H GLY 15 -3.707 13.568 -5.348 111 HA2 GLY 15 HA2 GLY 15 -3.408 15.857 -4.671 112 HA3 GLY 15 HA3 GLY 15 -2.810 16.206 -6.262 113 H ASN 16 H ASN 16 -6.128 14.948 -6.035 114 HA ASN 16 HA ASN 16 -7.379 17.541 -6.656 115 HB2 ASN 16 HB2 ASN 16 -8.528 14.692 -6.900 116 HB3 ASN 16 HB3 ASN 16 -9.549 16.102 -7.089 117 HD21 ASN 16 HD21 ASN 16 -7.065 14.112 -8.550 118 HD22 ASN 16 HD22 ASN 16 -7.130 14.807 -10.130 119 H SER 17 H SER 17 -7.591 15.062 -4.054 120 HA SER 17 HA SER 17 -8.890 16.964 -2.188 121 HB2 SER 17 HB2 SER 17 -10.311 14.876 -2.720 122 HB3 SER 17 HB3 SER 17 -9.045 13.885 -2.013 123 HG SER 17 HG SER 17 -10.627 14.220 -0.457 124 H GLY 18 H GLY 18 -5.886 14.859 -2.738 125 HA2 GLY 18 HA2 GLY 18 -3.832 15.493 -1.679 126 HA3 GLY 18 HA3 GLY 18 -4.707 15.656 -0.170 127 H LEU 19 H LEU 19 -5.965 12.950 -1.860 128 HA LEU 19 HA LEU 19 -6.252 10.813 -1.504 129 HB2 LEU 19 HB2 LEU 19 -3.271 10.876 -1.993 130 HB3 LEU 19 HB3 LEU 19 -3.949 9.267 -1.629 131 HG LEU 19 HG LEU 19 -4.387 11.146 -3.990 132 HD11 LEU 19 HD11 LEU 19 -2.169 10.241 -3.704 133 HD12 LEU 19 HD12 LEU 19 -2.913 9.558 -5.165 134 HD13 LEU 19 HD13 LEU 19 -2.794 8.621 -3.656 135 HD21 LEU 19 HD21 LEU 19 -6.338 9.638 -3.730 136 HD22 LEU 19 HD22 LEU 19 -5.252 8.235 -3.692 137 HD23 LEU 19 HD23 LEU 19 -5.387 9.227 -5.163 138 H GLY 20 H GLY 20 -7.029 9.323 -0.186 139 HA2 GLY 20 HA2 GLY 20 -6.974 10.121 2.622 140 HA3 GLY 20 HA3 GLY 20 -8.296 9.365 1.780 141 H PHE 21 H PHE 21 -4.804 8.450 2.292 142 HA PHE 21 HA PHE 21 -5.251 6.693 4.456 143 HB2 PHE 21 HB2 PHE 21 -4.457 4.485 3.500 144 HB3 PHE 21 HB3 PHE 21 -5.822 5.015 2.604 145 HD1 PHE 21 HD1 PHE 21 -5.240 6.222 0.168 146 HD2 PHE 21 HD2 PHE 21 -2.600 3.591 2.275 147 HE1 PHE 21 HE1 PHE 21 -4.082 5.767 -1.911 148 HE2 PHE 21 HE2 PHE 21 -1.409 3.121 0.164 149 HZ PHE 21 HZ PHE 21 -2.141 4.203 -1.936 150 H SER 22 H SER 22 -2.823 5.719 5.351 151 HA SER 22 HA SER 22 -0.506 7.037 4.160 152 HB2 SER 22 HB2 SER 22 -1.034 6.987 7.182 153 HB3 SER 22 HB3 SER 22 0.507 7.381 6.398 154 HG SER 22 HG SER 22 -0.273 9.374 6.414 155 H ILE 23 H ILE 23 1.583 5.893 4.293 156 HA ILE 23 HA ILE 23 1.421 3.083 5.085 157 HB ILE 23 HB ILE 23 2.768 2.290 3.033 158 HG12 ILE 23 HG12 ILE 23 1.753 3.251 0.780 159 HG13 ILE 23 HG13 ILE 23 1.291 4.660 1.703 160 HG21 ILE 23 HG21 ILE 23 0.840 1.439 3.759 161 HG22 ILE 23 HG22 ILE 23 0.488 1.714 1.991 162 HG23 ILE 23 HG23 ILE 23 -0.017 2.872 3.294 163 HD11 ILE 23 HD11 ILE 23 3.185 5.249 0.374 164 HD12 ILE 23 HD12 ILE 23 4.093 3.825 0.805 165 HD13 ILE 23 HD13 ILE 23 3.827 5.104 2.010 166 H ALA 24 H ALA 24 2.719 1.711 5.836 167 HA ALA 24 HA ALA 24 5.312 2.785 6.805 168 HB1 ALA 24 HB1 ALA 24 3.651 0.526 8.046 169 HB2 ALA 24 HB2 ALA 24 3.712 2.172 8.668 170 HB3 ALA 24 HB3 ALA 24 5.146 1.141 8.692 171 H GLY 25 H GLY 25 7.145 2.103 6.012 172 HA2 GLY 25 HA2 GLY 25 7.718 -0.640 5.150 173 HA3 GLY 25 HA3 GLY 25 7.743 0.559 3.876 174 H GLY 26 H GLY 26 9.960 -1.019 4.373 175 HA2 GLY 26 HA2 GLY 26 12.114 0.771 4.679 176 HA3 GLY 26 HA3 GLY 26 11.845 0.126 6.268 177 H THR 27 H THR 27 13.837 0.003 3.686 178 HA THR 27 HA THR 27 14.852 -2.628 4.486 179 HB THR 27 HB THR 27 16.884 -2.122 2.826 180 HG1 THR 27 HG1 THR 27 15.495 -0.899 0.963 181 HG21 THR 27 HG21 THR 27 15.397 -3.992 2.464 182 HG22 THR 27 HG22 THR 27 15.680 -3.218 0.910 183 HG23 THR 27 HG23 THR 27 14.164 -2.954 1.762 184 H ASP 28 H ASP 28 15.753 0.787 5.030 185 HA ASP 28 HA ASP 28 17.651 -0.186 6.973 186 HB2 ASP 28 HB2 ASP 28 18.920 2.119 6.958 187 HB3 ASP 28 HB3 ASP 28 19.275 1.015 5.642 188 H ASN 29 H ASN 29 14.822 1.786 6.727 189 HA ASN 29 HA ASN 29 14.890 2.634 9.532 190 HB2 ASN 29 HB2 ASN 29 13.275 3.844 7.192 191 HB3 ASN 29 HB3 ASN 29 12.824 4.186 8.847 192 HD21 ASN 29 HD21 ASN 29 14.136 5.615 10.069 193 HD22 ASN 29 HD22 ASN 29 15.368 6.590 9.350 194 HA PRO 30 HA PRO 30 11.997 -0.942 10.715 195 HB2 PRO 30 HB2 PRO 30 11.828 0.199 13.446 196 HB3 PRO 30 HB3 PRO 30 12.404 -1.377 12.929 197 HG2 PRO 30 HG2 PRO 30 14.130 0.540 13.805 198 HG3 PRO 30 HG3 PRO 30 14.580 -0.679 12.606 199 HD2 PRO 30 HD2 PRO 30 13.954 2.228 12.203 200 HD3 PRO 30 HD3 PRO 30 15.103 1.178 11.372 201 H HIS 31 H HIS 31 9.823 -1.483 11.267 202 HA HIS 31 HA HIS 31 7.776 0.602 11.517 203 HB2 HIS 31 HB2 HIS 31 7.286 -0.373 9.364 204 HB3 HIS 31 HB3 HIS 31 7.831 -1.954 9.839 205 HD1 HIS 31 HD1 HIS 31 4.707 0.119 10.977 206 HD2 HIS 31 HD2 HIS 31 5.742 -3.616 9.533 207 HE1 HIS 31 HE1 HIS 31 2.552 -1.195 10.947 208 HE2 HIS 31 HE2 HIS 31 3.204 -3.466 10.083 209 H ILE 32 H ILE 32 8.768 -2.602 12.927 210 HA ILE 32 HA ILE 32 6.827 -2.421 15.100 211 HB ILE 32 HB ILE 32 6.001 -4.936 14.901 212 HG12 ILE 32 HG12 ILE 32 5.538 -5.690 12.412 213 HG13 ILE 32 HG13 ILE 32 6.837 -4.622 11.958 214 HG21 ILE 32 HG21 ILE 32 4.499 -3.127 14.611 215 HG22 ILE 32 HG22 ILE 32 4.185 -4.354 13.300 216 HG23 ILE 32 HG23 ILE 32 5.205 -2.934 12.990 217 HD11 ILE 32 HD11 ILE 32 7.516 -6.837 11.899 218 HD12 ILE 32 HD12 ILE 32 7.040 -7.142 13.605 219 HD13 ILE 32 HD13 ILE 32 8.384 -6.024 13.222 220 H GLY 33 H GLY 33 9.325 -4.585 14.008 221 HA2 GLY 33 HA2 GLY 33 11.013 -4.293 16.293 222 HA3 GLY 33 HA3 GLY 33 10.304 -5.926 16.211 223 H ASP 34 H ASP 34 11.263 -3.729 13.598 224 HA ASP 34 HA ASP 34 12.706 -3.514 11.965 225 HB2 ASP 34 HB2 ASP 34 14.450 -5.554 13.370 226 HB3 ASP 34 HB3 ASP 34 14.954 -5.046 11.750 227 H ASP 35 H ASP 35 10.991 -3.835 10.881 228 HA ASP 35 HA ASP 35 10.516 -6.370 9.430 229 HB2 ASP 35 HB2 ASP 35 8.609 -5.146 10.628 230 HB3 ASP 35 HB3 ASP 35 8.572 -3.921 9.409 231 HA PRO 36 HA PRO 36 12.414 -4.938 5.296 232 HB2 PRO 36 HB2 PRO 36 11.855 -7.631 4.180 233 HB3 PRO 36 HB3 PRO 36 13.408 -6.843 4.445 234 HG2 PRO 36 HG2 PRO 36 12.630 -8.957 5.928 235 HG3 PRO 36 HG3 PRO 36 13.583 -7.638 6.630 236 HD2 PRO 36 HD2 PRO 36 10.609 -8.107 6.782 237 HD3 PRO 36 HD3 PRO 36 11.744 -7.727 8.097 238 H SER 37 H SER 37 9.094 -6.359 5.398 239 HA SER 37 HA SER 37 8.250 -5.578 2.679 240 HB2 SER 37 HB2 SER 37 6.815 -7.234 4.825 241 HB3 SER 37 HB3 SER 37 6.089 -6.848 3.270 242 HG SER 37 HG SER 37 8.622 -8.075 3.358 243 H ILE 38 H ILE 38 6.310 -4.262 2.111 244 HA ILE 38 HA ILE 38 5.739 -2.079 4.006 245 HB ILE 38 HB ILE 38 4.906 -1.815 1.044 246 HG12 ILE 38 HG12 ILE 38 7.189 -1.924 0.067 247 HG13 ILE 38 HG13 ILE 38 7.171 -0.335 0.566 248 HG21 ILE 38 HG21 ILE 38 4.028 -0.029 2.192 249 HG22 ILE 38 HG22 ILE 38 5.277 0.633 1.141 250 HG23 ILE 38 HG23 ILE 38 5.592 0.447 2.868 251 HD11 ILE 38 HD11 ILE 38 8.550 -2.439 2.236 252 HD12 ILE 38 HD12 ILE 38 8.653 -0.687 2.446 253 HD13 ILE 38 HD13 ILE 38 9.323 -1.454 1.001 254 H PHE 39 H PHE 39 3.811 -1.798 5.065 255 HA PHE 39 HA PHE 39 1.317 -3.257 4.354 256 HB2 PHE 39 HB2 PHE 39 2.413 -2.948 7.242 257 HB3 PHE 39 HB3 PHE 39 0.862 -3.619 6.859 258 HD1 PHE 39 HD1 PHE 39 1.303 -5.990 5.187 259 HD2 PHE 39 HD2 PHE 39 3.907 -4.354 8.145 260 HE1 PHE 39 HE1 PHE 39 2.325 -8.221 5.538 261 HE2 PHE 39 HE2 PHE 39 4.899 -6.541 8.528 262 HZ PHE 39 HZ PHE 39 4.119 -8.505 7.209 263 H ILE 40 H ILE 40 -0.852 -2.249 5.156 264 HA ILE 40 HA ILE 40 -0.866 0.621 5.629 265 HB ILE 40 HB ILE 40 -3.475 -0.935 5.770 266 HG12 ILE 40 HG12 ILE 40 -2.636 -2.091 3.688 267 HG13 ILE 40 HG13 ILE 40 -3.996 -1.092 3.275 268 HG21 ILE 40 HG21 ILE 40 -4.601 0.863 4.584 269 HG22 ILE 40 HG22 ILE 40 -3.088 1.779 4.516 270 HG23 ILE 40 HG23 ILE 40 -3.817 1.378 6.082 271 HD11 ILE 40 HD11 ILE 40 -2.479 0.529 2.330 272 HD12 ILE 40 HD12 ILE 40 -2.220 -1.075 1.519 273 HD13 ILE 40 HD13 ILE 40 -1.118 -0.445 2.826 274 H THR 41 H THR 41 -1.756 1.611 7.323 275 HA THR 41 HA THR 41 -2.471 0.444 9.884 276 HB THR 41 HB THR 41 -0.693 1.978 11.242 277 HG1 THR 41 HG1 THR 41 0.781 2.792 10.068 278 HG21 THR 41 HG21 THR 41 -0.803 -0.457 11.587 279 HG22 THR 41 HG22 THR 41 0.880 0.089 11.512 280 HG23 THR 41 HG23 THR 41 0.161 -0.705 10.122 281 H LYS 42 H LYS 42 -2.384 3.439 7.872 282 HA LYS 42 HA LYS 42 -4.369 4.606 9.707 283 HB2 LYS 42 HB2 LYS 42 -1.935 5.805 9.620 284 HB3 LYS 42 HB3 LYS 42 -2.494 6.431 8.100 285 HG2 LYS 42 HG2 LYS 42 -4.098 7.002 10.570 286 HG3 LYS 42 HG3 LYS 42 -2.590 7.872 10.324 287 HD2 LYS 42 HD2 LYS 42 -3.525 8.655 8.085 288 HD3 LYS 42 HD3 LYS 42 -5.048 7.886 8.512 289 HE2 LYS 42 HE2 LYS 42 -3.734 9.901 10.239 290 HE3 LYS 42 HE3 LYS 42 -4.763 10.425 8.894 291 HZ1 LYS 42 HZ1 LYS 42 -6.635 9.208 9.991 292 HZ2 LYS 42 HZ2 LYS 42 -6.029 10.421 11.001 293 HZ3 LYS 42 HZ3 LYS 42 -5.616 8.807 11.285 294 H ILE 43 H ILE 43 -6.314 5.061 8.894 295 HA ILE 43 HA ILE 43 -6.753 5.537 6.057 296 HB ILE 43 HB ILE 43 -8.536 3.773 7.902 297 HG12 ILE 43 HG12 ILE 43 -6.888 2.223 6.912 298 HG13 ILE 43 HG13 ILE 43 -8.377 1.822 6.211 299 HG21 ILE 43 HG21 ILE 43 -10.334 3.289 6.209 300 HG22 ILE 43 HG22 ILE 43 -9.666 4.617 5.246 301 HG23 ILE 43 HG23 ILE 43 -10.293 4.945 6.864 302 HD11 ILE 43 HD11 ILE 43 -6.597 1.668 4.509 303 HD12 ILE 43 HD12 ILE 43 -6.083 3.304 4.846 304 HD13 ILE 43 HD13 ILE 43 -7.624 3.046 4.036 305 H ILE 44 H ILE 44 -7.773 7.497 5.533 306 HA ILE 44 HA ILE 44 -8.898 9.237 7.542 307 HB ILE 44 HB ILE 44 -8.322 9.725 4.500 308 HG12 ILE 44 HG12 ILE 44 -6.878 11.714 5.348 309 HG13 ILE 44 HG13 ILE 44 -6.979 10.930 6.935 310 HG21 ILE 44 HG21 ILE 44 -10.266 11.087 4.742 311 HG22 ILE 44 HG22 ILE 44 -8.837 12.108 4.517 312 HG23 ILE 44 HG23 ILE 44 -9.564 11.946 6.130 313 HD11 ILE 44 HD11 ILE 44 -5.860 9.846 4.397 314 HD12 ILE 44 HD12 ILE 44 -5.908 9.015 5.956 315 HD13 ILE 44 HD13 ILE 44 -4.869 10.470 5.759 316 HA PRO 45 HA PRO 45 -13.411 7.906 7.243 317 HB2 PRO 45 HB2 PRO 45 -14.221 10.497 8.511 318 HB3 PRO 45 HB3 PRO 45 -14.465 8.851 9.096 319 HG2 PRO 45 HG2 PRO 45 -12.686 10.455 10.283 320 HG3 PRO 45 HG3 PRO 45 -12.325 8.735 10.045 321 HD2 PRO 45 HD2 PRO 45 -11.385 11.094 8.393 322 HD3 PRO 45 HD3 PRO 45 -10.420 9.756 9.023 323 H GLY 46 H GLY 46 -12.546 11.034 5.739 324 HA2 GLY 46 HA2 GLY 46 -14.762 10.857 3.772 325 HA3 GLY 46 HA3 GLY 46 -14.327 12.398 4.481 326 H GLY 47 H GLY 47 -12.056 9.782 3.244 327 HA2 GLY 47 HA2 GLY 47 -10.871 11.543 1.197 328 HA3 GLY 47 HA3 GLY 47 -10.198 10.046 1.801 329 H ALA 48 H ALA 48 -9.828 10.091 -0.721 330 HA ALA 48 HA ALA 48 -11.965 9.301 -2.509 331 HB1 ALA 48 HB1 ALA 48 -10.333 9.514 -4.323 332 HB2 ALA 48 HB2 ALA 48 -9.004 9.580 -3.165 333 HB3 ALA 48 HB3 ALA 48 -10.177 10.896 -3.234 334 H ALA 49 H ALA 49 -9.233 7.471 -0.967 335 HA ALA 49 HA ALA 49 -9.613 4.983 -2.423 336 HB1 ALA 49 HB1 ALA 49 -7.757 4.106 -1.174 337 HB2 ALA 49 HB2 ALA 49 -7.821 5.465 -0.040 338 HB3 ALA 49 HB3 ALA 49 -7.386 5.738 -1.737 339 H ALA 50 H ALA 50 -10.867 6.174 0.686 340 HA ALA 50 HA ALA 50 -11.798 3.649 1.800 341 HB1 ALA 50 HB1 ALA 50 -12.296 6.481 2.850 342 HB2 ALA 50 HB2 ALA 50 -10.931 5.476 3.301 343 HB3 ALA 50 HB3 ALA 50 -12.562 4.989 3.749 344 H GLN 51 H GLN 51 -13.459 6.584 0.288 345 HA GLN 51 HA GLN 51 -16.107 5.402 0.280 346 HB2 GLN 51 HB2 GLN 51 -15.244 8.191 -0.632 347 HB3 GLN 51 HB3 GLN 51 -16.910 7.654 -0.625 348 HG2 GLN 51 HG2 GLN 51 -16.551 7.327 1.946 349 HG3 GLN 51 HG3 GLN 51 -15.106 8.244 1.722 350 HE21 GLN 51 HE21 GLN 51 -18.612 8.521 1.793 351 HE22 GLN 51 HE22 GLN 51 -18.684 10.248 1.812 352 H ASP 52 H ASP 52 -13.918 6.709 -2.511 353 HA ASP 52 HA ASP 52 -15.729 5.684 -4.525 354 HB2 ASP 52 HB2 ASP 52 -13.521 7.723 -4.548 355 HB3 ASP 52 HB3 ASP 52 -14.024 7.014 -6.060 356 H GLY 53 H GLY 53 -12.384 4.771 -3.445 357 HA2 GLY 53 HA2 GLY 53 -11.613 3.281 -5.862 358 HA3 GLY 53 HA3 GLY 53 -10.650 3.503 -4.428 359 H ARG 54 H ARG 54 -12.235 2.274 -2.428 360 HA ARG 54 HA ARG 54 -12.866 0.590 -1.331 361 HB2 ARG 54 HB2 ARG 54 -13.514 -0.825 -3.895 362 HB3 ARG 54 HB3 ARG 54 -13.603 -1.781 -2.422 363 HG2 ARG 54 HG2 ARG 54 -15.336 -0.137 -1.575 364 HG3 ARG 54 HG3 ARG 54 -15.257 0.682 -3.136 365 HD2 ARG 54 HD2 ARG 54 -16.017 -1.368 -4.248 366 HD3 ARG 54 HD3 ARG 54 -16.083 -2.194 -2.692 367 HE ARG 54 HE ARG 54 -17.688 0.149 -2.598 368 HH11 ARG 54 HH11 ARG 54 -18.146 -3.178 -4.020 369 HH12 ARG 54 HH12 ARG 54 -19.872 -3.043 -3.980 370 HH21 ARG 54 HH21 ARG 54 -19.934 0.184 -2.607 371 HH22 ARG 54 HH22 ARG 54 -20.863 -1.157 -3.187 372 H LEU 55 H LEU 55 -10.588 1.151 -0.883 373 HA LEU 55 HA LEU 55 -9.136 -1.286 -0.204 374 HB2 LEU 55 HB2 LEU 55 -7.742 0.185 -1.471 375 HB3 LEU 55 HB3 LEU 55 -8.249 1.628 -0.631 376 HG LEU 55 HG LEU 55 -6.744 -0.006 1.208 377 HD11 LEU 55 HD11 LEU 55 -4.592 -0.161 0.086 378 HD12 LEU 55 HD12 LEU 55 -5.332 0.374 -1.423 379 HD13 LEU 55 HD13 LEU 55 -5.800 -1.169 -0.708 380 HD21 LEU 55 HD21 LEU 55 -5.322 1.967 1.240 381 HD22 LEU 55 HD22 LEU 55 -7.063 2.377 1.144 382 HD23 LEU 55 HD23 LEU 55 -6.069 2.485 -0.287 383 H ARG 56 H ARG 56 -9.025 -2.015 1.779 384 HA ARG 56 HA ARG 56 -9.674 -0.462 4.206 385 HB2 ARG 56 HB2 ARG 56 -10.055 -3.506 3.706 386 HB3 ARG 56 HB3 ARG 56 -10.034 -2.877 5.325 387 HG2 ARG 56 HG2 ARG 56 -12.046 -1.589 4.814 388 HG3 ARG 56 HG3 ARG 56 -12.041 -2.286 3.179 389 HD2 ARG 56 HD2 ARG 56 -12.027 -4.476 4.084 390 HD3 ARG 56 HD3 ARG 56 -11.940 -3.797 5.707 391 HE ARG 56 HE ARG 56 -14.279 -2.746 4.557 392 HH11 ARG 56 HH11 ARG 56 -13.541 -6.192 5.499 393 HH12 ARG 56 HH12 ARG 56 -15.216 -6.577 5.711 394 HH21 ARG 56 HH21 ARG 56 -16.414 -3.390 4.870 395 HH22 ARG 56 HH22 ARG 56 -16.815 -5.003 5.357 396 H VAL 57 H VAL 57 -8.354 -0.866 6.216 397 HA VAL 57 HA VAL 57 -5.522 -0.715 6.007 398 HB VAL 57 HB VAL 57 -7.346 0.080 7.641 399 HG11 VAL 57 HG11 VAL 57 -7.036 -0.781 10.021 400 HG12 VAL 57 HG12 VAL 57 -7.200 -2.316 9.039 401 HG13 VAL 57 HG13 VAL 57 -8.375 -0.967 8.870 402 HG21 VAL 57 HG21 VAL 57 -4.530 -0.080 8.351 403 HG22 VAL 57 HG22 VAL 57 -5.723 0.656 9.469 404 HG23 VAL 57 HG23 VAL 57 -5.621 1.211 7.776 405 H ASN 58 H ASN 58 -7.414 -3.531 6.410 406 HA ASN 58 HA ASN 58 -5.307 -5.400 7.030 407 HB2 ASN 58 HB2 ASN 58 -7.601 -5.246 8.170 408 HB3 ASN 58 HB3 ASN 58 -8.324 -5.936 6.737 409 HD21 ASN 58 HD21 ASN 58 -6.507 -6.605 9.644 410 HD22 ASN 58 HD22 ASN 58 -6.527 -8.330 9.550 411 H ASP 59 H ASP 59 -5.915 -3.901 4.016 412 HA ASP 59 HA ASP 59 -6.130 -6.267 2.297 413 HB2 ASP 59 HB2 ASP 59 -6.532 -3.352 1.726 414 HB3 ASP 59 HB3 ASP 59 -5.930 -4.308 0.390 415 H SER 60 H SER 60 -3.504 -3.970 3.133 416 HA SER 60 HA SER 60 -1.309 -3.665 2.626 417 HB2 SER 60 HB2 SER 60 -1.306 -6.658 3.151 418 HB3 SER 60 HB3 SER 60 0.179 -5.706 3.119 419 HG SER 60 HG SER 60 -1.712 -4.588 4.735 420 H ILE 61 H ILE 61 0.021 -3.025 1.045 421 HA ILE 61 HA ILE 61 -0.349 -4.119 -1.662 422 HB ILE 61 HB ILE 61 1.480 -1.598 -1.187 423 HG12 ILE 61 HG12 ILE 61 -1.456 -1.105 -1.979 424 HG13 ILE 61 HG13 ILE 61 -1.120 -1.370 -0.284 425 HG21 ILE 61 HG21 ILE 61 -0.190 -2.356 -3.669 426 HG22 ILE 61 HG22 ILE 61 1.537 -2.590 -3.510 427 HG23 ILE 61 HG23 ILE 61 0.884 -0.952 -3.562 428 HD11 ILE 61 HD11 ILE 61 -0.045 0.910 -1.991 429 HD12 ILE 61 HD12 ILE 61 0.319 0.689 -0.277 430 HD13 ILE 61 HD13 ILE 61 -1.336 1.042 -0.790 431 H LEU 62 H LEU 62 0.947 -5.550 -2.791 432 HA LEU 62 HA LEU 62 3.723 -6.100 -1.950 433 HB2 LEU 62 HB2 LEU 62 3.627 -8.156 -3.436 434 HB3 LEU 62 HB3 LEU 62 2.394 -8.223 -2.197 435 HG LEU 62 HG LEU 62 1.615 -7.474 -5.018 436 HD11 LEU 62 HD11 LEU 62 2.977 -9.464 -5.189 437 HD12 LEU 62 HD12 LEU 62 1.252 -9.846 -5.407 438 HD13 LEU 62 HD13 LEU 62 2.054 -10.207 -3.874 439 HD21 LEU 62 HD21 LEU 62 -0.450 -8.602 -4.379 440 HD22 LEU 62 HD22 LEU 62 -0.065 -7.339 -3.210 441 HD23 LEU 62 HD23 LEU 62 0.246 -9.029 -2.817 442 H PHE 63 H PHE 63 1.945 -4.951 -4.819 443 HA PHE 63 HA PHE 63 4.510 -3.910 -5.916 444 HB2 PHE 63 HB2 PHE 63 2.475 -5.523 -7.531 445 HB3 PHE 63 HB3 PHE 63 3.595 -4.455 -8.370 446 HD1 PHE 63 HD1 PHE 63 3.417 -7.484 -6.168 447 HD2 PHE 63 HD2 PHE 63 5.848 -5.204 -8.785 448 HE1 PHE 63 HE1 PHE 63 4.991 -9.311 -6.189 449 HE2 PHE 63 HE2 PHE 63 7.522 -6.926 -8.810 450 HZ PHE 63 HZ PHE 63 7.136 -9.087 -7.532 451 H VAL 64 H VAL 64 4.624 -1.822 -6.604 452 HA VAL 64 HA VAL 64 2.100 -0.223 -7.002 453 HB VAL 64 HB VAL 64 4.585 1.305 -5.853 454 HG11 VAL 64 HG11 VAL 64 2.894 2.771 -6.732 455 HG12 VAL 64 HG12 VAL 64 3.044 3.022 -4.987 456 HG13 VAL 64 HG13 VAL 64 1.680 2.094 -5.637 457 HG21 VAL 64 HG21 VAL 64 4.123 -0.302 -4.083 458 HG22 VAL 64 HG22 VAL 64 2.436 0.211 -4.010 459 HG23 VAL 64 HG23 VAL 64 3.725 1.328 -3.534 460 H ASN 65 H ASN 65 1.838 0.950 -8.780 461 HA ASN 65 HA ASN 65 1.955 1.716 -10.839 462 HB2 ASN 65 HB2 ASN 65 5.045 1.868 -10.466 463 HB3 ASN 65 HB3 ASN 65 4.425 2.264 -12.036 464 HD21 ASN 65 HD21 ASN 65 6.001 3.854 -10.340 465 HD22 ASN 65 HD22 ASN 65 5.129 5.280 -9.903 466 H GLU 66 H GLU 66 2.593 -1.373 -10.261 467 HA GLU 66 HA GLU 66 2.977 -3.399 -11.013 468 HB2 GLU 66 HB2 GLU 66 3.375 -2.353 -13.944 469 HB3 GLU 66 HB3 GLU 66 3.541 -4.045 -13.553 470 HG2 GLU 66 HG2 GLU 66 0.933 -2.503 -13.187 471 HG3 GLU 66 HG3 GLU 66 1.356 -3.307 -14.683 472 H VAL 67 H VAL 67 5.172 -1.283 -10.130 473 HA VAL 67 HA VAL 67 7.531 -2.819 -10.643 474 HB VAL 67 HB VAL 67 8.947 -1.069 -9.788 475 HG11 VAL 67 HG11 VAL 67 7.356 -0.054 -12.031 476 HG12 VAL 67 HG12 VAL 67 8.718 -1.204 -11.959 477 HG13 VAL 67 HG13 VAL 67 9.001 0.518 -11.583 478 HG21 VAL 67 HG21 VAL 67 6.677 0.991 -9.565 479 HG22 VAL 67 HG22 VAL 67 8.429 1.329 -9.311 480 HG23 VAL 67 HG23 VAL 67 7.578 0.196 -8.243 481 H ASP 68 H ASP 68 9.246 -2.991 -8.983 482 HA ASP 68 HA ASP 68 8.034 -4.571 -7.084 483 HB2 ASP 68 HB2 ASP 68 9.590 -5.687 -8.612 484 HB3 ASP 68 HB3 ASP 68 10.945 -4.729 -8.026 485 H VAL 69 H VAL 69 7.654 -3.859 -5.301 486 HA VAL 69 HA VAL 69 9.201 -1.952 -3.691 487 HB VAL 69 HB VAL 69 6.533 -2.138 -4.513 488 HG11 VAL 69 HG11 VAL 69 6.314 -1.732 -1.541 489 HG12 VAL 69 HG12 VAL 69 5.416 -2.847 -2.582 490 HG13 VAL 69 HG13 VAL 69 5.094 -1.119 -2.670 491 HG21 VAL 69 HG21 VAL 69 7.697 -0.227 -4.997 492 HG22 VAL 69 HG22 VAL 69 7.910 0.102 -3.214 493 HG23 VAL 69 HG23 VAL 69 6.331 0.293 -3.966 494 H ARG 70 H ARG 70 8.351 -5.225 -3.578 495 HA ARG 70 HA ARG 70 8.043 -5.896 -0.852 496 HB2 ARG 70 HB2 ARG 70 8.667 -8.292 -1.402 497 HB3 ARG 70 HB3 ARG 70 7.335 -7.644 -2.339 498 HG2 ARG 70 HG2 ARG 70 8.919 -7.511 -4.312 499 HG3 ARG 70 HG3 ARG 70 10.187 -8.208 -3.303 500 HD2 ARG 70 HD2 ARG 70 8.813 -10.228 -2.996 501 HD3 ARG 70 HD3 ARG 70 7.557 -9.526 -4.015 502 HE ARG 70 HE ARG 70 9.973 -9.558 -5.475 503 HH11 ARG 70 HH11 ARG 70 7.640 -12.186 -4.503 504 HH12 ARG 70 HH12 ARG 70 8.116 -13.205 -5.821 505 HH21 ARG 70 HH21 ARG 70 10.489 -10.987 -7.139 506 HH22 ARG 70 HH22 ARG 70 9.709 -12.526 -7.287 507 H GLU 71 H GLU 71 11.027 -4.840 -2.117 508 HA GLU 71 HA GLU 71 12.443 -4.939 0.314 509 HB2 GLU 71 HB2 GLU 71 13.559 -6.553 -2.027 510 HB3 GLU 71 HB3 GLU 71 14.614 -5.632 -1.004 511 HG2 GLU 71 HG2 GLU 71 13.941 -7.029 0.963 512 HG3 GLU 71 HG3 GLU 71 12.779 -7.888 -0.038 513 H VAL 72 H VAL 72 11.833 -2.796 0.152 514 HA VAL 72 HA VAL 72 13.796 -1.006 -0.998 515 HB VAL 72 HB VAL 72 12.316 0.669 -2.025 516 HG11 VAL 72 HG11 VAL 72 11.513 -1.821 -3.353 517 HG12 VAL 72 HG12 VAL 72 12.914 -0.790 -3.657 518 HG13 VAL 72 HG13 VAL 72 11.285 -0.195 -4.003 519 HG21 VAL 72 HG21 VAL 72 9.797 0.609 -2.360 520 HG22 VAL 72 HG22 VAL 72 10.292 0.726 -0.675 521 HG23 VAL 72 HG23 VAL 72 9.749 -0.831 -1.316 522 H THR 73 H THR 73 13.690 1.306 -0.045 523 HA THR 73 HA THR 73 12.985 1.496 2.799 524 HB THR 73 HB THR 73 13.634 4.073 2.369 525 HG1 THR 73 HG1 THR 73 13.915 4.252 0.255 526 HG21 THR 73 HG21 THR 73 14.930 2.689 3.812 527 HG22 THR 73 HG22 THR 73 15.993 3.656 2.800 528 HG23 THR 73 HG23 THR 73 15.756 1.936 2.438 529 H HIS 74 H HIS 74 11.651 3.341 3.736 530 HA HIS 74 HA HIS 74 8.937 3.474 2.836 531 HB2 HIS 74 HB2 HIS 74 8.349 5.205 4.594 532 HB3 HIS 74 HB3 HIS 74 9.418 3.987 5.240 533 HD1 HIS 74 HD1 HIS 74 11.960 4.906 5.855 534 HD2 HIS 74 HD2 HIS 74 9.174 7.860 4.926 535 HE1 HIS 74 HE1 HIS 74 12.971 7.085 6.656 536 HE2 HIS 74 HE2 HIS 74 11.297 8.851 6.020 537 H SER 75 H SER 75 11.235 6.140 2.400 538 HA SER 75 HA SER 75 9.718 7.991 0.790 539 HB2 SER 75 HB2 SER 75 11.811 8.612 2.098 540 HB3 SER 75 HB3 SER 75 12.784 7.779 0.893 541 HG SER 75 HG SER 75 11.724 10.304 0.853 542 H ALA 76 H ALA 76 11.649 5.146 -0.244 543 HA ALA 76 HA ALA 76 11.699 5.450 -3.109 544 HB1 ALA 76 HB1 ALA 76 13.406 4.165 -1.862 545 HB2 ALA 76 HB2 ALA 76 12.622 3.136 -3.077 546 HB3 ALA 76 HB3 ALA 76 12.159 3.025 -1.371 547 H ALA 77 H ALA 77 9.203 4.105 -0.843 548 HA ALA 77 HA ALA 77 7.522 2.907 -2.950 549 HB1 ALA 77 HB1 ALA 77 7.872 1.703 -0.768 550 HB2 ALA 77 HB2 ALA 77 6.199 1.928 -1.230 551 HB3 ALA 77 HB3 ALA 77 6.934 2.993 0.019 552 H VAL 78 H VAL 78 7.554 5.807 -0.841 553 HA VAL 78 HA VAL 78 4.987 7.006 -1.618 554 HB VAL 78 HB VAL 78 7.449 8.383 -0.206 555 HG11 VAL 78 HG11 VAL 78 5.972 10.203 -1.121 556 HG12 VAL 78 HG12 VAL 78 5.996 10.184 0.656 557 HG13 VAL 78 HG13 VAL 78 4.617 9.503 -0.211 558 HG21 VAL 78 HG21 VAL 78 4.863 7.479 0.959 559 HG22 VAL 78 HG22 VAL 78 6.187 8.240 1.873 560 HG23 VAL 78 HG23 VAL 78 6.412 6.636 1.122 561 H GLU 79 H GLU 79 8.301 7.470 -2.965 562 HA GLU 79 HA GLU 79 7.860 9.467 -4.990 563 HB2 GLU 79 HB2 GLU 79 10.022 7.411 -4.691 564 HB3 GLU 79 HB3 GLU 79 10.036 8.454 -6.101 565 HG2 GLU 79 HG2 GLU 79 10.068 10.442 -4.531 566 HG3 GLU 79 HG3 GLU 79 10.211 9.264 -3.227 567 H ALA 80 H ALA 80 7.182 6.069 -5.148 568 HA ALA 80 HA ALA 80 6.482 5.833 -7.948 569 HB1 ALA 80 HB1 ALA 80 5.718 4.004 -5.627 570 HB2 ALA 80 HB2 ALA 80 7.178 3.847 -6.599 571 HB3 ALA 80 HB3 ALA 80 5.600 3.584 -7.340 572 H LEU 81 H LEU 81 4.649 6.993 -4.991 573 HA LEU 81 HA LEU 81 2.048 7.099 -6.326 574 HB2 LEU 81 HB2 LEU 81 2.729 7.690 -3.386 575 HB3 LEU 81 HB3 LEU 81 1.116 7.708 -4.050 576 HG LEU 81 HG LEU 81 2.504 5.158 -4.402 577 HD11 LEU 81 HD11 LEU 81 2.377 4.442 -2.109 578 HD12 LEU 81 HD12 LEU 81 2.013 6.115 -1.644 579 HD13 LEU 81 HD13 LEU 81 3.550 5.719 -2.430 580 HD21 LEU 81 HD21 LEU 81 -0.127 5.807 -3.069 581 HD22 LEU 81 HD22 LEU 81 0.463 4.184 -3.531 582 HD23 LEU 81 HD23 LEU 81 0.140 5.398 -4.773 583 H LYS 82 H LYS 82 4.535 9.394 -5.231 584 HA LYS 82 HA LYS 82 2.997 11.812 -5.792 585 HB2 LYS 82 HB2 LYS 82 5.731 11.366 -4.554 586 HB3 LYS 82 HB3 LYS 82 5.354 12.962 -5.144 587 HG2 LYS 82 HG2 LYS 82 3.401 13.007 -3.535 588 HG3 LYS 82 HG3 LYS 82 3.925 11.441 -2.920 589 HD2 LYS 82 HD2 LYS 82 6.043 12.396 -2.196 590 HD3 LYS 82 HD3 LYS 82 5.620 13.955 -2.910 591 HE2 LYS 82 HE2 LYS 82 3.748 14.155 -1.326 592 HE3 LYS 82 HE3 LYS 82 4.175 12.594 -0.625 593 HZ1 LYS 82 HZ1 LYS 82 6.308 13.524 0.040 594 HZ2 LYS 82 HZ2 LYS 82 5.035 14.421 0.699 595 HZ3 LYS 82 HZ3 LYS 82 5.892 15.021 -0.630 596 H GLU 83 H GLU 83 5.768 10.127 -7.349 597 HA GLU 83 HA GLU 83 6.005 12.127 -9.526 598 HB2 GLU 83 HB2 GLU 83 7.650 9.881 -8.738 599 HB3 GLU 83 HB3 GLU 83 8.020 10.609 -10.304 600 HG2 GLU 83 HG2 GLU 83 8.021 12.760 -9.130 601 HG3 GLU 83 HG3 GLU 83 8.033 11.887 -7.614 602 H ALA 84 H ALA 84 4.095 9.437 -9.416 603 HA ALA 84 HA ALA 84 4.255 8.248 -12.049 604 HB1 ALA 84 HB1 ALA 84 1.693 8.306 -10.403 605 HB2 ALA 84 HB2 ALA 84 3.015 7.172 -10.156 606 HB3 ALA 84 HB3 ALA 84 2.108 7.150 -11.665 607 H GLY 85 H GLY 85 2.737 11.307 -11.253 608 HA2 GLY 85 HA2 GLY 85 3.004 13.036 -13.077 609 HA3 GLY 85 HA3 GLY 85 2.209 11.829 -14.078 610 H SER 86 H SER 86 0.031 11.121 -12.385 611 HA SER 86 HA SER 86 -1.720 12.967 -11.337 612 HB2 SER 86 HB2 SER 86 -3.387 13.555 -13.170 613 HB3 SER 86 HB3 SER 86 -1.650 14.022 -13.421 614 HG SER 86 HG SER 86 -2.266 13.259 -15.418 615 H ILE 87 H ILE 87 -1.412 10.019 -13.238 616 HA ILE 87 HA ILE 87 -3.631 8.658 -11.865 617 HB ILE 87 HB ILE 87 -2.821 8.109 -14.800 618 HG12 ILE 87 HG12 ILE 87 -3.974 10.232 -14.777 619 HG13 ILE 87 HG13 ILE 87 -4.974 9.152 -15.750 620 HG21 ILE 87 HG21 ILE 87 -3.692 5.975 -14.076 621 HG22 ILE 87 HG22 ILE 87 -4.910 6.649 -15.180 622 HG23 ILE 87 HG23 ILE 87 -5.145 6.750 -13.426 623 HD11 ILE 87 HD11 ILE 87 -5.520 10.280 -12.945 624 HD12 ILE 87 HD12 ILE 87 -6.605 9.180 -13.754 625 HD13 ILE 87 HD13 ILE 87 -6.343 10.801 -14.424 626 H VAL 88 H VAL 88 -3.070 7.258 -10.520 627 HA VAL 88 HA VAL 88 -0.505 5.855 -10.532 628 HB VAL 88 HB VAL 88 -2.147 6.969 -8.118 629 HG11 VAL 88 HG11 VAL 88 0.524 5.697 -7.916 630 HG12 VAL 88 HG12 VAL 88 -1.092 5.095 -7.448 631 HG13 VAL 88 HG13 VAL 88 -0.380 6.485 -6.565 632 HG21 VAL 88 HG21 VAL 88 -0.985 8.877 -9.158 633 HG22 VAL 88 HG22 VAL 88 0.568 8.073 -9.014 634 HG23 VAL 88 HG23 VAL 88 -0.303 8.546 -7.574 635 H ARG 89 H ARG 89 -0.487 3.684 -10.150 636 HA ARG 89 HA ARG 89 -2.892 2.127 -9.541 637 HB2 ARG 89 HB2 ARG 89 -2.139 0.116 -11.146 638 HB3 ARG 89 HB3 ARG 89 -2.736 1.541 -11.938 639 HG2 ARG 89 HG2 ARG 89 0.183 1.465 -11.815 640 HG3 ARG 89 HG3 ARG 89 -0.574 0.149 -12.726 641 HD2 ARG 89 HD2 ARG 89 -2.027 1.883 -13.738 642 HD3 ARG 89 HD3 ARG 89 -0.970 3.108 -13.077 643 HE ARG 89 HE ARG 89 0.739 1.375 -14.459 644 HH11 ARG 89 HH11 ARG 89 -1.795 3.654 -15.757 645 HH12 ARG 89 HH12 ARG 89 -0.993 3.801 -17.285 646 HH21 ARG 89 HH21 ARG 89 1.667 1.657 -16.489 647 HH22 ARG 89 HH22 ARG 89 0.942 2.680 -17.684 648 H LEU 90 H LEU 90 -3.009 0.704 -7.990 649 HA LEU 90 HA LEU 90 -0.608 -0.396 -6.664 650 HB2 LEU 90 HB2 LEU 90 -1.906 -0.272 -4.406 651 HB3 LEU 90 HB3 LEU 90 -1.480 1.284 -5.060 652 HG LEU 90 HG LEU 90 -4.071 1.150 -5.866 653 HD11 LEU 90 HD11 LEU 90 -5.461 0.215 -4.072 654 HD12 LEU 90 HD12 LEU 90 -3.997 -0.550 -3.405 655 HD13 LEU 90 HD13 LEU 90 -4.565 -0.979 -5.021 656 HD21 LEU 90 HD21 LEU 90 -4.554 2.516 -3.922 657 HD22 LEU 90 HD22 LEU 90 -2.963 2.841 -4.656 658 HD23 LEU 90 HD23 LEU 90 -3.061 1.914 -3.156 659 H TYR 91 H TYR 91 -0.436 -2.475 -5.986 660 HA TYR 91 HA TYR 91 -2.574 -4.412 -6.613 661 HB2 TYR 91 HB2 TYR 91 -0.399 -4.432 -8.226 662 HB3 TYR 91 HB3 TYR 91 0.389 -5.103 -6.877 663 HD1 TYR 91 HD1 TYR 91 -2.910 -6.114 -8.497 664 HD2 TYR 91 HD2 TYR 91 0.964 -7.300 -7.221 665 HE1 TYR 91 HE1 TYR 91 -3.476 -8.280 -9.095 666 HE2 TYR 91 HE2 TYR 91 0.492 -9.583 -7.841 667 HH TYR 91 HH TYR 91 -2.217 -10.438 -9.797 668 H VAL 92 H VAL 92 -3.470 -5.135 -4.954 669 HA VAL 92 HA VAL 92 -2.046 -5.639 -2.380 670 HB VAL 92 HB VAL 92 -4.190 -5.291 -1.080 671 HG11 VAL 92 HG11 VAL 92 -2.952 -3.276 -1.458 672 HG12 VAL 92 HG12 VAL 92 -4.694 -2.953 -1.428 673 HG13 VAL 92 HG13 VAL 92 -3.844 -3.010 -2.968 674 HG21 VAL 92 HG21 VAL 92 -5.793 -6.181 -2.529 675 HG22 VAL 92 HG22 VAL 92 -5.545 -5.005 -3.773 676 HG23 VAL 92 HG23 VAL 92 -6.377 -4.514 -2.237 677 H MET 93 H MET 93 -2.909 -7.256 -0.793 678 HA MET 93 HA MET 93 -3.534 -9.997 -1.873 679 HB2 MET 93 HB2 MET 93 -1.827 -11.168 -0.337 680 HB3 MET 93 HB3 MET 93 -1.066 -10.124 -1.509 681 HG2 MET 93 HG2 MET 93 -0.397 -8.531 0.204 682 HG3 MET 93 HG3 MET 93 -1.432 -9.279 1.403 683 HE1 MET 93 HE1 MET 93 2.208 -9.225 -0.199 684 HE2 MET 93 HE2 MET 93 1.589 -10.630 -1.067 685 HE3 MET 93 HE3 MET 93 2.827 -10.835 0.172 686 H ARG 94 H ARG 94 -5.099 -11.254 -1.125 687 HA ARG 94 HA ARG 94 -6.151 -11.049 1.605 688 HB2 ARG 94 HB2 ARG 94 -7.872 -10.996 -0.952 689 HB3 ARG 94 HB3 ARG 94 -8.544 -11.617 0.538 690 HG2 ARG 94 HG2 ARG 94 -8.176 -9.373 1.575 691 HG3 ARG 94 HG3 ARG 94 -7.600 -8.786 0.013 692 HD2 ARG 94 HD2 ARG 94 -9.756 -9.292 -1.002 693 HD3 ARG 94 HD3 ARG 94 -10.336 -9.971 0.519 694 HE ARG 94 HE ARG 94 -9.503 -7.278 0.908 695 HH11 ARG 94 HH11 ARG 94 -12.493 -8.846 -0.477 696 HH12 ARG 94 HH12 ARG 94 -13.463 -7.445 -0.166 697 HH21 ARG 94 HH21 ARG 94 -10.886 -5.539 1.253 698 HH22 ARG 94 HH22 ARG 94 -12.556 -5.603 0.800 699 H ARG 95 H ARG 95 -6.793 -12.907 2.620 700 HA ARG 95 HA ARG 95 -6.068 -15.554 1.510 701 HB2 ARG 95 HB2 ARG 95 -5.021 -14.575 3.741 702 HB3 ARG 95 HB3 ARG 95 -6.565 -14.860 4.490 703 HG2 ARG 95 HG2 ARG 95 -4.978 -17.192 3.330 704 HG3 ARG 95 HG3 ARG 95 -4.532 -16.522 4.884 705 HD2 ARG 95 HD2 ARG 95 -7.310 -17.536 4.281 706 HD3 ARG 95 HD3 ARG 95 -6.055 -18.635 4.870 707 HE ARG 95 HE ARG 95 -6.446 -16.343 6.604 708 HH11 ARG 95 HH11 ARG 95 -7.980 -19.626 6.216 709 HH12 ARG 95 HH12 ARG 95 -8.627 -19.596 7.823 710 HH21 ARG 95 HH21 ARG 95 -7.345 -16.441 8.658 711 HH22 ARG 95 HH22 ARG 95 -8.268 -17.811 9.180 712 H LYS 96 H LYS 96 -7.512 -17.261 1.207 713 HA LYS 96 HA LYS 96 -10.396 -16.813 1.164 714 HB2 LYS 96 HB2 LYS 96 -8.737 -19.161 0.120 715 HB3 LYS 96 HB3 LYS 96 -10.482 -19.228 0.131 716 HG2 LYS 96 HG2 LYS 96 -10.564 -17.334 -1.460 717 HG3 LYS 96 HG3 LYS 96 -8.804 -17.230 -1.426 718 HD2 LYS 96 HD2 LYS 96 -8.634 -19.479 -2.380 719 HD3 LYS 96 HD3 LYS 96 -10.391 -19.639 -2.368 720 HE2 LYS 96 HE2 LYS 96 -10.556 -17.761 -3.957 721 HE3 LYS 96 HE3 LYS 96 -8.800 -17.611 -3.958 722 HZ1 LYS 96 HZ1 LYS 96 -9.576 -18.846 -5.877 723 HZ2 LYS 96 HZ2 LYS 96 -10.343 -19.978 -4.881 724 HZ3 LYS 96 HZ3 LYS 96 -8.656 -19.852 -4.872 725 HA PRO 97 HA PRO 97 -11.614 -19.059 5.157 726 HB2 PRO 97 HB2 PRO 97 -14.476 -18.864 4.334 727 HB3 PRO 97 HB3 PRO 97 -13.680 -18.170 5.747 728 HG2 PRO 97 HG2 PRO 97 -14.519 -16.606 3.740 729 HG3 PRO 97 HG3 PRO 97 -12.998 -16.262 4.586 730 HD2 PRO 97 HD2 PRO 97 -13.416 -17.649 1.942 731 HD3 PRO 97 HD3 PRO 97 -12.290 -16.330 2.340 732 HA PRO 98 HA PRO 98 -12.301 -23.654 4.053 733 HB2 PRO 98 HB2 PRO 98 -13.230 -24.232 6.840 734 HB3 PRO 98 HB3 PRO 98 -11.853 -24.900 5.964 735 HG2 PRO 98 HG2 PRO 98 -11.460 -23.167 7.949 736 HG3 PRO 98 HG3 PRO 98 -10.480 -23.073 6.474 737 HD2 PRO 98 HD2 PRO 98 -12.881 -21.421 7.249 738 HD3 PRO 98 HD3 PRO 98 -11.300 -20.872 6.648 739 H ALA 99 H ALA 99 -15.160 -22.095 5.682 740 HA ALA 99 HA ALA 99 -17.089 -23.902 4.378 741 HB1 ALA 99 HB1 ALA 99 -17.643 -22.253 6.900 742 HB2 ALA 99 HB2 ALA 99 -17.222 -23.965 6.901 743 HB3 ALA 99 HB3 ALA 99 -18.737 -23.433 6.173 744 H1 VAL 1 H1 VAL 1 4.188 0.937 16.583 745 H2 VAL 1 H2 VAL 1 5.278 0.255 15.485 746 H3 VAL 1 H3 VAL 1 5.504 1.844 16.017 747 HA VAL 1 HA VAL 1 6.034 1.262 18.107 748 HB VAL 1 HB VAL 1 6.269 -1.195 19.005 749 HG11 VAL 1 HG11 VAL 1 3.991 -1.245 19.901 750 HG12 VAL 1 HG12 VAL 1 3.576 0.019 18.715 751 HG13 VAL 1 HG13 VAL 1 4.806 0.334 19.937 752 HG21 VAL 1 HG21 VAL 1 4.584 -2.908 18.224 753 HG22 VAL 1 HG22 VAL 1 5.751 -2.560 16.952 754 HG23 VAL 1 HG23 VAL 1 4.141 -1.851 16.879 755 H VAL 2 H VAL 2 7.990 1.013 19.033 756 HA VAL 2 HA VAL 2 10.095 1.215 19.262 757 HB VAL 2 HB VAL 2 10.186 -1.335 18.613 758 HG11 VAL 2 HG11 VAL 2 11.669 -2.209 16.854 759 HG12 VAL 2 HG12 VAL 2 11.586 -0.630 16.078 760 HG13 VAL 2 HG13 VAL 2 10.120 -1.572 16.325 761 HG21 VAL 2 HG21 VAL 2 12.857 0.093 18.675 762 HG22 VAL 2 HG22 VAL 2 12.667 -1.649 18.877 763 HG23 VAL 2 HG23 VAL 2 11.944 -0.545 20.046 764 H SER 3 H SER 3 9.251 1.962 15.872 765 HA SER 3 HA SER 3 11.143 4.102 16.031 766 HB2 SER 3 HB2 SER 3 12.291 2.471 14.511 767 HB3 SER 3 HB3 SER 3 10.943 2.546 13.390 768 HG SER 3 HG SER 3 13.077 3.952 13.211 769 H GLU 4 H GLU 4 8.744 3.176 13.428 770 HA GLU 4 HA GLU 4 7.356 4.252 12.078 771 HB2 GLU 4 HB2 GLU 4 6.056 3.167 14.054 772 HB3 GLU 4 HB3 GLU 4 5.485 4.819 14.427 773 HG2 GLU 4 HG2 GLU 4 4.638 4.651 11.883 774 HG3 GLU 4 HG3 GLU 4 5.220 2.984 12.239 775 H ARG 5 H ARG 5 7.345 5.760 10.755 776 HA ARG 5 HA ARG 5 6.532 8.452 11.531 777 HB2 ARG 5 HB2 ARG 5 8.629 7.830 9.329 778 HB3 ARG 5 HB3 ARG 5 7.757 9.346 9.322 779 HG2 ARG 5 HG2 ARG 5 8.777 9.918 11.511 780 HG3 ARG 5 HG3 ARG 5 9.652 8.387 11.487 781 HD2 ARG 5 HD2 ARG 5 10.810 9.077 9.442 782 HD3 ARG 5 HD3 ARG 5 9.921 10.600 9.443 783 HE ARG 5 HE ARG 5 11.282 10.312 11.914 784 HH11 ARG 5 HH11 ARG 5 12.361 11.211 8.546 785 HH12 ARG 5 HH12 ARG 5 13.745 12.068 9.138 786 HH21 ARG 5 HH21 ARG 5 13.114 11.458 12.532 787 HH22 ARG 5 HH22 ARG 5 14.156 12.202 11.366 788 H ILE 6 H ILE 6 4.406 7.970 11.456 789 HA ILE 6 HA ILE 6 3.311 7.427 8.880 790 HB ILE 6 HB ILE 6 2.537 6.365 11.418 791 HG12 ILE 6 HG12 ILE 6 3.188 4.726 9.792 792 HG13 ILE 6 HG13 ILE 6 1.595 4.292 10.339 793 HG21 ILE 6 HG21 ILE 6 0.702 7.368 12.022 794 HG22 ILE 6 HG22 ILE 6 0.149 5.785 11.479 795 HG23 ILE 6 HG23 ILE 6 -0.084 7.195 10.448 796 HD11 ILE 6 HD11 ILE 6 1.868 3.786 7.864 797 HD12 ILE 6 HD12 ILE 6 2.333 5.400 7.560 798 HD13 ILE 6 HD13 ILE 6 0.689 5.062 8.009 799 H SER 7 H SER 7 3.889 9.126 8.247 800 HA SER 7 HA SER 7 1.879 11.337 7.900 801 HB2 SER 7 HB2 SER 7 3.780 13.074 7.567 802 HB3 SER 7 HB3 SER 7 3.733 12.394 9.184 803 HG SER 7 HG SER 7 5.387 11.103 7.338 804 H SER 8 H SER 8 2.821 8.805 6.231 805 HA SER 8 HA SER 8 3.690 9.653 3.592 806 HB2 SER 8 HB2 SER 8 2.974 6.824 4.618 807 HB3 SER 8 HB3 SER 8 3.692 7.199 3.083 808 HG SER 8 HG SER 8 4.933 7.957 5.520 809 H VAL 9 H VAL 9 2.441 8.107 1.582 810 HA VAL 9 HA VAL 9 -0.398 9.027 1.424 811 HB VAL 9 HB VAL 9 1.231 8.510 -1.264 812 HG11 VAL 9 HG11 VAL 9 -1.155 9.001 -1.528 813 HG12 VAL 9 HG12 VAL 9 -0.197 10.263 -2.282 814 HG13 VAL 9 HG13 VAL 9 -0.966 10.563 -0.753 815 HG21 VAL 9 HG21 VAL 9 1.927 10.880 -1.555 816 HG22 VAL 9 HG22 VAL 9 2.708 10.195 -0.125 817 HG23 VAL 9 HG23 VAL 9 1.320 11.274 0.051 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -8.444 -29.742 2.079 2 H2 GLY 1 H2 GLY 1 -10.131 -29.812 1.981 3 H3 GLY 1 H3 GLY 1 -9.364 -28.339 2.303 4 HA2 GLY 1 HA2 GLY 1 -9.163 -29.888 -0.224 5 HA3 GLY 1 HA3 GLY 1 -10.119 -28.433 0.002 6 H ALA 2 H ALA 2 -9.184 -26.402 -0.052 7 HA ALA 2 HA ALA 2 -6.330 -26.158 -0.813 8 HB1 ALA 2 HB1 ALA 2 -8.580 -24.235 -1.600 9 HB2 ALA 2 HB2 ALA 2 -7.927 -25.497 -2.645 10 HB3 ALA 2 HB3 ALA 2 -6.905 -24.148 -2.153 11 H MET 3 H MET 3 -4.892 -25.103 0.366 12 HA MET 3 HA MET 3 -5.694 -23.250 2.503 13 HB2 MET 3 HB2 MET 3 -3.636 -23.979 3.922 14 HB3 MET 3 HB3 MET 3 -4.803 -25.247 3.674 15 HG2 MET 3 HG2 MET 3 -3.262 -26.215 1.925 16 HG3 MET 3 HG3 MET 3 -2.096 -24.967 2.320 17 HE1 MET 3 HE1 MET 3 -0.477 -28.190 3.925 18 HE2 MET 3 HE2 MET 3 -0.229 -26.846 2.811 19 HE3 MET 3 HE3 MET 3 -1.404 -28.106 2.428 20 H GLU 4 H GLU 4 -4.948 -22.569 -0.241 21 HA GLU 4 HA GLU 4 -2.679 -20.691 -0.147 22 HB2 GLU 4 HB2 GLU 4 -4.317 -21.665 -2.577 23 HB3 GLU 4 HB3 GLU 4 -3.133 -20.378 -2.688 24 HG2 GLU 4 HG2 GLU 4 -1.325 -21.962 -2.073 25 HG3 GLU 4 HG3 GLU 4 -2.500 -23.257 -1.911 26 H MET 5 H MET 5 -3.000 -18.513 -1.591 27 HA MET 5 HA MET 5 -5.163 -16.923 -0.416 28 HB2 MET 5 HB2 MET 5 -3.623 -14.868 -0.539 29 HB3 MET 5 HB3 MET 5 -3.062 -16.093 0.572 30 HG2 MET 5 HG2 MET 5 -1.441 -16.790 -1.219 31 HG3 MET 5 HG3 MET 5 -1.917 -15.425 -2.177 32 HE1 MET 5 HE1 MET 5 0.872 -15.158 1.603 33 HE2 MET 5 HE2 MET 5 0.573 -16.619 0.662 34 HE3 MET 5 HE3 MET 5 -0.685 -15.980 1.720 35 H GLU 6 H GLU 6 -5.831 -14.922 -1.473 36 HA GLU 6 HA GLU 6 -6.197 -14.975 -4.395 37 HB2 GLU 6 HB2 GLU 6 -8.689 -14.194 -4.251 38 HB3 GLU 6 HB3 GLU 6 -8.420 -15.833 -3.734 39 HG2 GLU 6 HG2 GLU 6 -8.723 -15.107 -1.342 40 HG3 GLU 6 HG3 GLU 6 -8.929 -13.447 -1.873 41 H TYR 7 H TYR 7 -5.771 -13.260 -5.597 42 HA TYR 7 HA TYR 7 -4.895 -10.739 -4.279 43 HB2 TYR 7 HB2 TYR 7 -3.965 -11.837 -6.997 44 HB3 TYR 7 HB3 TYR 7 -3.369 -10.398 -6.252 45 HD1 TYR 7 HD1 TYR 7 -3.270 -14.155 -5.902 46 HD2 TYR 7 HD2 TYR 7 -1.589 -10.442 -4.721 47 HE1 TYR 7 HE1 TYR 7 -1.384 -15.369 -4.948 48 HE2 TYR 7 HE2 TYR 7 0.394 -11.650 -3.769 49 HH TYR 7 HH TYR 7 0.902 -13.903 -2.886 50 H GLU 8 H GLU 8 -5.265 -8.612 -5.063 51 HA GLU 8 HA GLU 8 -7.342 -8.183 -7.167 52 HB2 GLU 8 HB2 GLU 8 -8.412 -8.140 -4.734 53 HB3 GLU 8 HB3 GLU 8 -7.537 -6.660 -4.473 54 HG2 GLU 8 HG2 GLU 8 -9.849 -6.047 -4.871 55 HG3 GLU 8 HG3 GLU 8 -8.979 -5.593 -6.320 56 H GLU 9 H GLU 9 -7.000 -6.584 -8.657 57 HA GLU 9 HA GLU 9 -4.975 -4.544 -8.198 58 HB2 GLU 9 HB2 GLU 9 -4.633 -4.323 -10.762 59 HB3 GLU 9 HB3 GLU 9 -4.196 -5.868 -10.075 60 HG2 GLU 9 HG2 GLU 9 -6.226 -6.918 -11.101 61 HG3 GLU 9 HG3 GLU 9 -6.721 -5.358 -11.737 62 H ILE 10 H ILE 10 -5.514 -2.509 -7.725 63 HA ILE 10 HA ILE 10 -8.083 -1.331 -8.678 64 HB ILE 10 HB ILE 10 -6.664 -0.673 -5.962 65 HG12 ILE 10 HG12 ILE 10 -9.410 -1.999 -5.811 66 HG13 ILE 10 HG13 ILE 10 -8.067 -3.022 -6.283 67 HG21 ILE 10 HG21 ILE 10 -8.091 1.292 -6.660 68 HG22 ILE 10 HG22 ILE 10 -8.847 0.559 -5.245 69 HG23 ILE 10 HG23 ILE 10 -9.501 0.239 -6.860 70 HD11 ILE 10 HD11 ILE 10 -8.500 -1.587 -3.650 71 HD12 ILE 10 HD12 ILE 10 -6.930 -2.220 -4.157 72 HD13 ILE 10 HD13 ILE 10 -8.292 -3.347 -3.922 73 H THR 11 H THR 11 -8.181 0.927 -9.386 74 HA THR 11 HA THR 11 -5.660 2.438 -9.940 75 HB THR 11 HB THR 11 -8.018 2.873 -11.894 76 HG1 THR 11 HG1 THR 11 -7.948 0.833 -12.546 77 HG21 THR 11 HG21 THR 11 -5.901 4.213 -12.146 78 HG22 THR 11 HG22 THR 11 -6.213 3.227 -13.579 79 HG23 THR 11 HG23 THR 11 -5.017 2.710 -12.383 80 H LEU 12 H LEU 12 -5.449 4.422 -9.209 81 HA LEU 12 HA LEU 12 -7.677 6.110 -8.210 82 HB2 LEU 12 HB2 LEU 12 -5.099 5.366 -6.755 83 HB3 LEU 12 HB3 LEU 12 -5.761 6.920 -6.409 84 HG LEU 12 HG LEU 12 -6.265 5.572 -4.586 85 HD11 LEU 12 HD11 LEU 12 -8.660 5.262 -4.298 86 HD12 LEU 12 HD12 LEU 12 -8.881 5.662 -6.000 87 HD13 LEU 12 HD13 LEU 12 -8.169 6.842 -4.904 88 HD21 LEU 12 HD21 LEU 12 -5.762 3.362 -5.362 89 HD22 LEU 12 HD22 LEU 12 -7.239 3.311 -6.325 90 HD23 LEU 12 HD23 LEU 12 -7.337 3.338 -4.566 91 H GLU 13 H GLU 13 -7.404 8.461 -8.137 92 HA GLU 13 HA GLU 13 -5.425 9.722 -10.013 93 HB2 GLU 13 HB2 GLU 13 -8.191 10.845 -9.162 94 HB3 GLU 13 HB3 GLU 13 -7.065 11.670 -10.221 95 HG2 GLU 13 HG2 GLU 13 -7.487 10.018 -11.959 96 HG3 GLU 13 HG3 GLU 13 -8.478 9.084 -10.848 97 H ARG 14 H ARG 14 -3.972 11.159 -9.313 98 HA ARG 14 HA ARG 14 -3.449 11.622 -6.479 99 HB2 ARG 14 HB2 ARG 14 -1.687 10.638 -8.073 100 HB3 ARG 14 HB3 ARG 14 -1.640 12.143 -8.936 101 HG2 ARG 14 HG2 ARG 14 -0.766 12.095 -6.019 102 HG3 ARG 14 HG3 ARG 14 0.303 11.416 -7.233 103 HD2 ARG 14 HD2 ARG 14 0.421 13.599 -8.374 104 HD3 ARG 14 HD3 ARG 14 -0.747 14.276 -7.243 105 HE ARG 14 HE ARG 14 1.504 13.263 -5.828 106 HH11 ARG 14 HH11 ARG 14 0.858 16.297 -7.754 107 HH12 ARG 14 HH12 ARG 14 2.091 17.184 -6.920 108 HH21 ARG 14 HH21 ARG 14 3.071 14.544 -4.832 109 HH22 ARG 14 HH22 ARG 14 3.320 16.195 -5.292 110 H GLY 15 H GLY 15 -3.582 13.381 -5.359 111 HA2 GLY 15 HA2 GLY 15 -3.160 15.643 -4.636 112 HA3 GLY 15 HA3 GLY 15 -2.855 16.077 -6.285 113 H ASN 16 H ASN 16 -5.992 14.954 -6.553 114 HA ASN 16 HA ASN 16 -7.196 17.572 -6.454 115 HB2 ASN 16 HB2 ASN 16 -9.310 16.525 -7.531 116 HB3 ASN 16 HB3 ASN 16 -7.847 16.390 -8.463 117 HD21 ASN 16 HD21 ASN 16 -8.656 14.738 -9.734 118 HD22 ASN 16 HD22 ASN 16 -8.956 13.128 -9.188 119 H SER 17 H SER 17 -7.703 14.723 -4.366 120 HA SER 17 HA SER 17 -9.332 16.315 -2.458 121 HB2 SER 17 HB2 SER 17 -10.565 14.303 -3.487 122 HB3 SER 17 HB3 SER 17 -9.385 13.244 -2.732 123 HG SER 17 HG SER 17 -11.591 13.818 -1.668 124 H GLY 18 H GLY 18 -6.186 14.352 -2.762 125 HA2 GLY 18 HA2 GLY 18 -4.369 14.897 -1.271 126 HA3 GLY 18 HA3 GLY 18 -5.508 14.851 0.063 127 H LEU 19 H LEU 19 -6.084 12.435 -2.347 128 HA LEU 19 HA LEU 19 -6.221 10.401 -2.554 129 HB2 LEU 19 HB2 LEU 19 -3.321 10.553 -2.083 130 HB3 LEU 19 HB3 LEU 19 -3.905 8.859 -2.057 131 HG LEU 19 HG LEU 19 -4.165 10.922 -4.272 132 HD11 LEU 19 HD11 LEU 19 -1.873 10.489 -3.598 133 HD12 LEU 19 HD12 LEU 19 -2.176 9.837 -5.230 134 HD13 LEU 19 HD13 LEU 19 -2.112 8.766 -3.811 135 HD21 LEU 19 HD21 LEU 19 -4.366 8.932 -5.755 136 HD22 LEU 19 HD22 LEU 19 -5.668 9.052 -4.572 137 HD23 LEU 19 HD23 LEU 19 -4.354 7.891 -4.309 138 H GLY 20 H GLY 20 -5.662 10.634 0.884 139 HA2 GLY 20 HA2 GLY 20 -7.442 10.181 2.404 140 HA3 GLY 20 HA3 GLY 20 -8.188 9.158 1.217 141 H PHE 21 H PHE 21 -4.741 8.542 2.263 142 HA PHE 21 HA PHE 21 -5.281 6.791 4.437 143 HB2 PHE 21 HB2 PHE 21 -4.435 4.612 3.480 144 HB3 PHE 21 HB3 PHE 21 -5.779 5.147 2.557 145 HD1 PHE 21 HD1 PHE 21 -5.226 6.282 0.114 146 HD2 PHE 21 HD2 PHE 21 -2.457 3.847 2.303 147 HE1 PHE 21 HE1 PHE 21 -4.024 5.810 -1.958 148 HE2 PHE 21 HE2 PHE 21 -1.234 3.389 0.200 149 HZ PHE 21 HZ PHE 21 -2.012 4.368 -1.923 150 H SER 22 H SER 22 -2.861 5.770 5.374 151 HA SER 22 HA SER 22 -0.525 7.120 4.287 152 HB2 SER 22 HB2 SER 22 -1.133 7.022 7.296 153 HB3 SER 22 HB3 SER 22 0.421 7.435 6.553 154 HG SER 22 HG SER 22 -1.781 9.000 6.975 155 H ILE 23 H ILE 23 1.515 5.956 4.408 156 HA ILE 23 HA ILE 23 1.320 3.141 5.167 157 HB ILE 23 HB ILE 23 2.745 2.400 3.156 158 HG12 ILE 23 HG12 ILE 23 1.794 3.332 0.873 159 HG13 ILE 23 HG13 ILE 23 1.185 4.697 1.772 160 HG21 ILE 23 HG21 ILE 23 -0.150 2.888 2.943 161 HG22 ILE 23 HG22 ILE 23 0.667 1.862 4.065 162 HG23 ILE 23 HG23 ILE 23 0.711 1.425 2.295 163 HD11 ILE 23 HD11 ILE 23 3.111 5.417 0.501 164 HD12 ILE 23 HD12 ILE 23 4.099 4.083 1.061 165 HD13 ILE 23 HD13 ILE 23 3.630 5.370 2.183 166 H ALA 24 H ALA 24 2.589 1.727 5.908 167 HA ALA 24 HA ALA 24 5.229 2.688 6.830 168 HB1 ALA 24 HB1 ALA 24 3.640 2.134 8.690 169 HB2 ALA 24 HB2 ALA 24 4.989 1.004 8.712 170 HB3 ALA 24 HB3 ALA 24 3.436 0.508 8.059 171 H GLY 25 H GLY 25 6.981 1.929 5.904 172 HA2 GLY 25 HA2 GLY 25 7.422 -0.779 4.897 173 HA3 GLY 25 HA3 GLY 25 7.299 0.433 3.636 174 H GLY 26 H GLY 26 9.596 -1.198 4.036 175 HA2 GLY 26 HA2 GLY 26 11.795 0.534 4.264 176 HA3 GLY 26 HA3 GLY 26 11.515 -0.013 5.887 177 H THR 27 H THR 27 13.644 -0.181 3.691 178 HA THR 27 HA THR 27 14.495 -2.914 4.317 179 HB THR 27 HB THR 27 16.650 -2.277 2.779 180 HG1 THR 27 HG1 THR 27 16.560 -0.724 1.487 181 HG21 THR 27 HG21 THR 27 13.997 -3.037 1.557 182 HG22 THR 27 HG22 THR 27 15.186 -4.128 2.269 183 HG23 THR 27 HG23 THR 27 15.576 -3.252 0.788 184 H ASP 28 H ASP 28 15.594 0.461 4.795 185 HA ASP 28 HA ASP 28 17.618 -0.318 6.763 186 HB2 ASP 28 HB2 ASP 28 17.385 2.320 5.205 187 HB3 ASP 28 HB3 ASP 28 18.428 2.205 6.606 188 H ASN 29 H ASN 29 14.516 1.475 6.535 189 HA ASN 29 HA ASN 29 14.514 2.371 9.318 190 HB2 ASN 29 HB2 ASN 29 12.842 3.350 6.925 191 HB3 ASN 29 HB3 ASN 29 12.380 3.775 8.565 192 HD21 ASN 29 HD21 ASN 29 13.664 5.349 9.674 193 HD22 ASN 29 HD22 ASN 29 14.799 6.358 8.850 194 HA PRO 30 HA PRO 30 11.571 -1.267 10.372 195 HB2 PRO 30 HB2 PRO 30 11.720 -0.830 13.211 196 HB3 PRO 30 HB3 PRO 30 12.582 -2.004 12.248 197 HG2 PRO 30 HG2 PRO 30 13.760 0.194 13.573 198 HG3 PRO 30 HG3 PRO 30 14.540 -0.881 12.410 199 HD2 PRO 30 HD2 PRO 30 13.530 1.896 12.012 200 HD3 PRO 30 HD3 PRO 30 14.772 0.990 11.151 201 H HIS 31 H HIS 31 9.487 -1.809 11.331 202 HA HIS 31 HA HIS 31 7.764 0.357 12.302 203 HB2 HIS 31 HB2 HIS 31 6.878 -0.315 10.029 204 HB3 HIS 31 HB3 HIS 31 6.865 -2.002 10.486 205 HD1 HIS 31 HD1 HIS 31 4.977 1.224 11.510 206 HD2 HIS 31 HD2 HIS 31 4.334 -2.879 11.232 207 HE1 HIS 31 HE1 HIS 31 2.590 0.861 12.204 208 HE2 HIS 31 HE2 HIS 31 2.207 -1.613 11.957 209 H ILE 32 H ILE 32 8.408 -3.268 12.730 210 HA ILE 32 HA ILE 32 7.025 -3.265 15.287 211 HB ILE 32 HB ILE 32 5.765 -4.420 13.372 212 HG12 ILE 32 HG12 ILE 32 5.404 -6.799 14.532 213 HG13 ILE 32 HG13 ILE 32 6.419 -5.972 15.735 214 HG21 ILE 32 HG21 ILE 32 7.820 -6.605 13.171 215 HG22 ILE 32 HG22 ILE 32 7.338 -5.418 11.950 216 HG23 ILE 32 HG23 ILE 32 6.190 -6.640 12.471 217 HD11 ILE 32 HD11 ILE 32 4.763 -4.283 16.106 218 HD12 ILE 32 HD12 ILE 32 3.905 -5.826 16.265 219 HD13 ILE 32 HD13 ILE 32 3.755 -4.860 14.776 220 H GLY 33 H GLY 33 10.026 -3.043 14.430 221 HA2 GLY 33 HA2 GLY 33 11.795 -3.481 16.319 222 HA3 GLY 33 HA3 GLY 33 11.432 -5.173 15.914 223 H ASP 34 H ASP 34 11.397 -5.472 13.456 224 HA ASP 34 HA ASP 34 13.144 -4.204 11.634 225 HB2 ASP 34 HB2 ASP 34 14.127 -6.858 12.793 226 HB3 ASP 34 HB3 ASP 34 14.532 -6.510 11.110 227 H ASP 35 H ASP 35 11.284 -3.937 10.605 228 HA ASP 35 HA ASP 35 9.802 -6.185 9.362 229 HB2 ASP 35 HB2 ASP 35 8.545 -4.278 10.626 230 HB3 ASP 35 HB3 ASP 35 8.977 -3.205 9.316 231 HA PRO 36 HA PRO 36 11.951 -5.444 5.139 232 HB2 PRO 36 HB2 PRO 36 11.016 -8.059 4.165 233 HB3 PRO 36 HB3 PRO 36 12.658 -7.545 4.539 234 HG2 PRO 36 HG2 PRO 36 11.316 -9.404 6.024 235 HG3 PRO 36 HG3 PRO 36 12.542 -8.329 6.717 236 HD2 PRO 36 HD2 PRO 36 9.537 -8.073 6.791 237 HD3 PRO 36 HD3 PRO 36 10.708 -7.880 8.118 238 H SER 37 H SER 37 8.439 -6.435 5.202 239 HA SER 37 HA SER 37 7.832 -5.609 2.416 240 HB2 SER 37 HB2 SER 37 6.183 -7.257 4.411 241 HB3 SER 37 HB3 SER 37 5.577 -6.793 2.825 242 HG SER 37 HG SER 37 6.445 -8.827 2.625 243 H ILE 38 H ILE 38 5.887 -4.239 1.779 244 HA ILE 38 HA ILE 38 5.404 -2.035 3.665 245 HB ILE 38 HB ILE 38 4.449 -1.694 0.754 246 HG12 ILE 38 HG12 ILE 38 6.669 -1.928 -0.357 247 HG13 ILE 38 HG13 ILE 38 6.753 -0.350 0.201 248 HG21 ILE 38 HG21 ILE 38 3.774 0.136 2.024 249 HG22 ILE 38 HG22 ILE 38 4.977 0.728 0.879 250 HG23 ILE 38 HG23 ILE 38 5.420 0.484 2.567 251 HD11 ILE 38 HD11 ILE 38 8.105 -2.450 1.882 252 HD12 ILE 38 HD12 ILE 38 8.369 -0.698 1.901 253 HD13 ILE 38 HD13 ILE 38 8.880 -1.675 0.515 254 H PHE 39 H PHE 39 3.679 -1.752 4.814 255 HA PHE 39 HA PHE 39 1.157 -3.266 4.499 256 HB2 PHE 39 HB2 PHE 39 2.507 -4.571 6.012 257 HB3 PHE 39 HB3 PHE 39 3.196 -3.182 6.788 258 HD1 PHE 39 HD1 PHE 39 -0.384 -4.665 6.692 259 HD2 PHE 39 HD2 PHE 39 2.955 -3.424 9.041 260 HE1 PHE 39 HE1 PHE 39 -1.580 -5.329 8.754 261 HE2 PHE 39 HE2 PHE 39 1.775 -4.080 11.104 262 HZ PHE 39 HZ PHE 39 -0.510 -5.027 10.956 263 H ILE 40 H ILE 40 -0.881 -2.275 5.172 264 HA ILE 40 HA ILE 40 -0.951 0.580 5.691 265 HB ILE 40 HB ILE 40 -3.551 -0.990 5.688 266 HG12 ILE 40 HG12 ILE 40 -2.596 -2.110 3.630 267 HG13 ILE 40 HG13 ILE 40 -3.947 -1.120 3.168 268 HG21 ILE 40 HG21 ILE 40 -4.630 0.834 4.473 269 HG22 ILE 40 HG22 ILE 40 -3.117 1.748 4.494 270 HG23 ILE 40 HG23 ILE 40 -3.919 1.327 6.014 271 HD11 ILE 40 HD11 ILE 40 -2.338 0.562 2.427 272 HD12 ILE 40 HD12 ILE 40 -2.204 -0.975 1.465 273 HD13 ILE 40 HD13 ILE 40 -1.027 -0.543 2.789 274 H THR 41 H THR 41 -1.893 1.576 7.329 275 HA THR 41 HA THR 41 -2.697 0.405 9.853 276 HB THR 41 HB THR 41 -0.979 1.889 11.297 277 HG1 THR 41 HG1 THR 41 0.545 1.470 8.955 278 HG21 THR 41 HG21 THR 41 -1.094 -0.579 11.506 279 HG22 THR 41 HG22 THR 41 0.582 0.003 11.558 280 HG23 THR 41 HG23 THR 41 -0.035 -0.720 10.088 281 H LYS 42 H LYS 42 -2.513 3.453 7.878 282 HA LYS 42 HA LYS 42 -4.538 4.580 9.680 283 HB2 LYS 42 HB2 LYS 42 -2.079 5.710 9.639 284 HB3 LYS 42 HB3 LYS 42 -2.644 6.444 8.166 285 HG2 LYS 42 HG2 LYS 42 -4.347 6.874 10.579 286 HG3 LYS 42 HG3 LYS 42 -2.759 7.639 10.582 287 HD2 LYS 42 HD2 LYS 42 -3.341 8.812 8.477 288 HD3 LYS 42 HD3 LYS 42 -4.919 8.012 8.488 289 HE2 LYS 42 HE2 LYS 42 -5.555 9.110 10.479 290 HE3 LYS 42 HE3 LYS 42 -3.914 9.753 10.712 291 HZ1 LYS 42 HZ1 LYS 42 -5.446 11.443 9.880 292 HZ2 LYS 42 HZ2 LYS 42 -5.819 10.480 8.542 293 HZ3 LYS 42 HZ3 LYS 42 -4.258 11.107 8.721 294 H ILE 43 H ILE 43 -6.455 4.968 8.847 295 HA ILE 43 HA ILE 43 -6.840 5.522 6.028 296 HB ILE 43 HB ILE 43 -8.644 3.668 7.767 297 HG12 ILE 43 HG12 ILE 43 -6.928 2.179 6.770 298 HG13 ILE 43 HG13 ILE 43 -8.389 1.785 6.014 299 HG21 ILE 43 HG21 ILE 43 -10.401 4.818 6.730 300 HG22 ILE 43 HG22 ILE 43 -10.365 3.215 5.954 301 HG23 ILE 43 HG23 ILE 43 -9.679 4.629 5.128 302 HD11 ILE 43 HD11 ILE 43 -6.167 3.450 4.717 303 HD12 ILE 43 HD12 ILE 43 -7.641 2.995 3.876 304 HD13 ILE 43 HD13 ILE 43 -6.483 1.753 4.396 305 H ILE 44 H ILE 44 -7.856 7.483 5.561 306 HA ILE 44 HA ILE 44 -9.000 9.163 7.620 307 HB ILE 44 HB ILE 44 -8.343 9.848 4.604 308 HG12 ILE 44 HG12 ILE 44 -6.722 11.605 5.533 309 HG13 ILE 44 HG13 ILE 44 -6.957 10.866 7.124 310 HG21 ILE 44 HG21 ILE 44 -10.206 11.312 5.117 311 HG22 ILE 44 HG22 ILE 44 -8.705 12.249 4.927 312 HG23 ILE 44 HG23 ILE 44 -9.345 11.919 6.551 313 HD11 ILE 44 HD11 ILE 44 -5.966 8.876 6.272 314 HD12 ILE 44 HD12 ILE 44 -4.837 10.250 6.046 315 HD13 ILE 44 HD13 ILE 44 -5.809 9.600 4.680 316 HA PRO 45 HA PRO 45 -13.543 7.995 7.131 317 HB2 PRO 45 HB2 PRO 45 -14.259 10.609 8.424 318 HB3 PRO 45 HB3 PRO 45 -14.660 8.970 8.936 319 HG2 PRO 45 HG2 PRO 45 -12.844 10.366 10.284 320 HG3 PRO 45 HG3 PRO 45 -12.569 8.644 9.958 321 HD2 PRO 45 HD2 PRO 45 -11.429 11.036 8.494 322 HD3 PRO 45 HD3 PRO 45 -10.568 9.614 9.094 323 H GLY 46 H GLY 46 -12.519 11.139 5.738 324 HA2 GLY 46 HA2 GLY 46 -14.666 11.080 3.690 325 HA3 GLY 46 HA3 GLY 46 -14.193 12.590 4.443 326 H GLY 47 H GLY 47 -11.952 9.922 3.259 327 HA2 GLY 47 HA2 GLY 47 -10.655 11.660 1.269 328 HA3 GLY 47 HA3 GLY 47 -10.052 10.134 1.876 329 H ALA 48 H ALA 48 -9.580 10.183 -0.620 330 HA ALA 48 HA ALA 48 -11.671 9.523 -2.514 331 HB1 ALA 48 HB1 ALA 48 -8.676 9.680 -3.042 332 HB2 ALA 48 HB2 ALA 48 -9.782 11.049 -3.133 333 HB3 ALA 48 HB3 ALA 48 -9.960 9.700 -4.255 334 H ALA 49 H ALA 49 -9.082 7.540 -0.917 335 HA ALA 49 HA ALA 49 -9.549 5.101 -2.429 336 HB1 ALA 49 HB1 ALA 49 -7.778 5.435 0.000 337 HB2 ALA 49 HB2 ALA 49 -7.297 5.740 -1.677 338 HB3 ALA 49 HB3 ALA 49 -7.754 4.110 -1.174 339 H ALA 50 H ALA 50 -10.831 6.298 0.658 340 HA ALA 50 HA ALA 50 -11.914 3.796 1.684 341 HB1 ALA 50 HB1 ALA 50 -11.013 5.542 3.256 342 HB2 ALA 50 HB2 ALA 50 -12.679 5.124 3.637 343 HB3 ALA 50 HB3 ALA 50 -12.324 6.622 2.790 344 H GLN 51 H GLN 51 -13.389 6.830 0.181 345 HA GLN 51 HA GLN 51 -16.084 5.765 0.053 346 HB2 GLN 51 HB2 GLN 51 -15.065 8.524 -0.778 347 HB3 GLN 51 HB3 GLN 51 -16.752 8.061 -0.847 348 HG2 GLN 51 HG2 GLN 51 -16.509 7.679 1.730 349 HG3 GLN 51 HG3 GLN 51 -15.019 8.522 1.578 350 HE21 GLN 51 HE21 GLN 51 -17.480 9.219 3.078 351 HE22 GLN 51 HE22 GLN 51 -17.889 10.836 2.627 352 H ASP 52 H ASP 52 -13.730 7.008 -2.622 353 HA ASP 52 HA ASP 52 -15.513 6.135 -4.733 354 HB2 ASP 52 HB2 ASP 52 -13.217 8.058 -4.592 355 HB3 ASP 52 HB3 ASP 52 -13.644 7.415 -6.152 356 H GLY 53 H GLY 53 -12.265 5.020 -3.557 357 HA2 GLY 53 HA2 GLY 53 -11.506 3.559 -6.001 358 HA3 GLY 53 HA3 GLY 53 -10.546 3.732 -4.558 359 H ARG 54 H ARG 54 -12.016 2.504 -2.560 360 HA ARG 54 HA ARG 54 -12.718 0.838 -1.483 361 HB2 ARG 54 HB2 ARG 54 -13.427 -0.551 -4.037 362 HB3 ARG 54 HB3 ARG 54 -13.504 -1.514 -2.567 363 HG2 ARG 54 HG2 ARG 54 -15.209 0.158 -1.688 364 HG3 ARG 54 HG3 ARG 54 -15.142 0.974 -3.252 365 HD2 ARG 54 HD2 ARG 54 -15.952 -1.065 -4.352 366 HD3 ARG 54 HD3 ARG 54 -16.000 -1.889 -2.793 367 HE ARG 54 HE ARG 54 -17.578 0.439 -2.605 368 HH11 ARG 54 HH11 ARG 54 -18.092 -2.748 -4.302 369 HH12 ARG 54 HH12 ARG 54 -19.816 -2.589 -4.248 370 HH21 ARG 54 HH21 ARG 54 -19.831 0.508 -2.603 371 HH22 ARG 54 HH22 ARG 54 -20.778 -0.766 -3.296 372 H LEU 55 H LEU 55 -10.469 1.330 -0.965 373 HA LEU 55 HA LEU 55 -9.041 -1.146 -0.380 374 HB2 LEU 55 HB2 LEU 55 -7.642 0.406 -1.552 375 HB3 LEU 55 HB3 LEU 55 -8.136 1.789 -0.608 376 HG LEU 55 HG LEU 55 -6.671 0.106 1.172 377 HD11 LEU 55 HD11 LEU 55 -5.245 0.264 -1.469 378 HD12 LEU 55 HD12 LEU 55 -5.822 -1.206 -0.682 379 HD13 LEU 55 HD13 LEU 55 -4.543 -0.247 0.064 380 HD21 LEU 55 HD21 LEU 55 -5.765 2.474 -0.404 381 HD22 LEU 55 HD22 LEU 55 -5.179 1.990 1.216 382 HD23 LEU 55 HD23 LEU 55 -6.869 2.502 0.943 383 H ARG 56 H ARG 56 -9.001 -1.957 1.568 384 HA ARG 56 HA ARG 56 -9.673 -0.477 4.028 385 HB2 ARG 56 HB2 ARG 56 -10.105 -3.492 3.430 386 HB3 ARG 56 HB3 ARG 56 -10.107 -2.921 5.069 387 HG2 ARG 56 HG2 ARG 56 -12.065 -1.535 4.534 388 HG3 ARG 56 HG3 ARG 56 -12.059 -2.242 2.904 389 HD2 ARG 56 HD2 ARG 56 -12.152 -4.423 3.804 390 HD3 ARG 56 HD3 ARG 56 -12.015 -3.750 5.428 391 HE ARG 56 HE ARG 56 -14.337 -2.662 4.153 392 HH11 ARG 56 HH11 ARG 56 -13.676 -5.892 5.709 393 HH12 ARG 56 HH12 ARG 56 -15.359 -6.195 5.986 394 HH21 ARG 56 HH21 ARG 56 -16.486 -3.187 4.573 395 HH22 ARG 56 HH22 ARG 56 -16.922 -4.675 5.344 396 H VAL 57 H VAL 57 -8.410 -0.898 6.028 397 HA VAL 57 HA VAL 57 -5.582 -0.761 5.895 398 HB VAL 57 HB VAL 57 -7.444 0.032 7.474 399 HG11 VAL 57 HG11 VAL 57 -7.253 -0.835 9.850 400 HG12 VAL 57 HG12 VAL 57 -7.347 -2.378 8.869 401 HG13 VAL 57 HG13 VAL 57 -8.529 -1.046 8.633 402 HG21 VAL 57 HG21 VAL 57 -4.662 -0.181 8.269 403 HG22 VAL 57 HG22 VAL 57 -5.874 0.558 9.366 404 HG23 VAL 57 HG23 VAL 57 -5.711 1.138 7.682 405 H ASN 58 H ASN 58 -7.474 -3.574 6.222 406 HA ASN 58 HA ASN 58 -5.395 -5.447 6.914 407 HB2 ASN 58 HB2 ASN 58 -7.747 -5.283 7.954 408 HB3 ASN 58 HB3 ASN 58 -8.395 -5.992 6.500 409 HD21 ASN 58 HD21 ASN 58 -8.558 -6.912 9.280 410 HD22 ASN 58 HD22 ASN 58 -7.915 -8.515 9.350 411 H ASP 59 H ASP 59 -5.897 -3.934 3.860 412 HA ASP 59 HA ASP 59 -6.072 -6.324 2.175 413 HB2 ASP 59 HB2 ASP 59 -6.504 -3.424 1.550 414 HB3 ASP 59 HB3 ASP 59 -5.904 -4.418 0.237 415 H SER 60 H SER 60 -3.446 -4.062 3.060 416 HA SER 60 HA SER 60 -1.219 -3.794 2.560 417 HB2 SER 60 HB2 SER 60 -1.271 -6.805 3.027 418 HB3 SER 60 HB3 SER 60 0.223 -5.868 3.038 419 HG SER 60 HG SER 60 -1.243 -4.578 4.677 420 H ILE 61 H ILE 61 0.129 -3.183 0.976 421 HA ILE 61 HA ILE 61 -0.289 -4.242 -1.740 422 HB ILE 61 HB ILE 61 1.539 -1.733 -1.200 423 HG12 ILE 61 HG12 ILE 61 -1.437 -1.343 -2.014 424 HG13 ILE 61 HG13 ILE 61 -1.024 -1.505 -0.323 425 HG21 ILE 61 HG21 ILE 61 1.031 -1.058 -3.594 426 HG22 ILE 61 HG22 ILE 61 0.010 -2.481 -3.775 427 HG23 ILE 61 HG23 ILE 61 1.731 -2.683 -3.532 428 HD11 ILE 61 HD11 ILE 61 -1.394 0.866 -0.941 429 HD12 ILE 61 HD12 ILE 61 -0.137 0.746 -2.170 430 HD13 ILE 61 HD13 ILE 61 0.297 0.623 -0.463 431 H LEU 62 H LEU 62 1.009 -5.610 -2.988 432 HA LEU 62 HA LEU 62 3.805 -6.152 -2.189 433 HB2 LEU 62 HB2 LEU 62 3.739 -8.155 -3.647 434 HB3 LEU 62 HB3 LEU 62 2.512 -8.263 -2.383 435 HG LEU 62 HG LEU 62 1.749 -7.591 -5.255 436 HD11 LEU 62 HD11 LEU 62 2.103 -10.274 -4.003 437 HD12 LEU 62 HD12 LEU 62 3.039 -9.581 -5.350 438 HD13 LEU 62 HD13 LEU 62 1.310 -9.953 -5.547 439 HD21 LEU 62 HD21 LEU 62 -0.368 -8.637 -4.643 440 HD22 LEU 62 HD22 LEU 62 0.011 -7.338 -3.512 441 HD23 LEU 62 HD23 LEU 62 0.264 -9.018 -3.043 442 H PHE 63 H PHE 63 1.938 -4.984 -5.002 443 HA PHE 63 HA PHE 63 4.471 -3.962 -6.181 444 HB2 PHE 63 HB2 PHE 63 2.465 -5.660 -7.761 445 HB3 PHE 63 HB3 PHE 63 3.594 -4.587 -8.598 446 HD1 PHE 63 HD1 PHE 63 3.409 -7.600 -6.397 447 HD2 PHE 63 HD2 PHE 63 5.859 -5.282 -8.946 448 HE1 PHE 63 HE1 PHE 63 5.012 -9.408 -6.399 449 HE2 PHE 63 HE2 PHE 63 7.537 -6.936 -8.953 450 HZ PHE 63 HZ PHE 63 7.175 -9.143 -7.704 451 H VAL 64 H VAL 64 4.518 -1.901 -6.961 452 HA VAL 64 HA VAL 64 1.943 -0.603 -7.461 453 HB VAL 64 HB VAL 64 3.503 -0.089 -5.351 454 HG11 VAL 64 HG11 VAL 64 4.368 2.272 -6.512 455 HG12 VAL 64 HG12 VAL 64 5.109 1.040 -5.477 456 HG13 VAL 64 HG13 VAL 64 3.950 2.194 -4.800 457 HG21 VAL 64 HG21 VAL 64 1.880 1.621 -4.485 458 HG22 VAL 64 HG22 VAL 64 1.329 0.012 -4.976 459 HG23 VAL 64 HG23 VAL 64 1.060 1.394 -6.042 460 H ASN 65 H ASN 65 1.593 1.015 -8.974 461 HA ASN 65 HA ASN 65 1.654 1.945 -10.941 462 HB2 ASN 65 HB2 ASN 65 4.618 2.195 -10.301 463 HB3 ASN 65 HB3 ASN 65 4.461 2.459 -11.947 464 HD21 ASN 65 HD21 ASN 65 4.936 4.611 -12.029 465 HD22 ASN 65 HD22 ASN 65 4.164 5.881 -11.147 466 H GLU 66 H GLU 66 4.557 -0.076 -11.511 467 HA GLU 66 HA GLU 66 3.446 -2.462 -12.661 468 HB2 GLU 66 HB2 GLU 66 5.262 -0.668 -14.473 469 HB3 GLU 66 HB3 GLU 66 5.147 -2.383 -14.745 470 HG2 GLU 66 HG2 GLU 66 2.769 -0.481 -15.009 471 HG3 GLU 66 HG3 GLU 66 3.840 -0.859 -16.340 472 H VAL 67 H VAL 67 5.346 -1.160 -10.246 473 HA VAL 67 HA VAL 67 7.835 -2.486 -10.743 474 HB VAL 67 HB VAL 67 9.009 -0.879 -9.360 475 HG11 VAL 67 HG11 VAL 67 7.677 0.541 -11.561 476 HG12 VAL 67 HG12 VAL 67 9.040 -0.629 -11.570 477 HG13 VAL 67 HG13 VAL 67 9.260 0.979 -10.811 478 HG21 VAL 67 HG21 VAL 67 8.229 1.376 -8.589 479 HG22 VAL 67 HG22 VAL 67 7.349 0.000 -7.879 480 HG23 VAL 67 HG23 VAL 67 6.575 0.972 -9.183 481 H ASP 68 H ASP 68 9.222 -3.004 -9.027 482 HA ASP 68 HA ASP 68 7.891 -4.559 -7.134 483 HB2 ASP 68 HB2 ASP 68 10.112 -5.949 -6.772 484 HB3 ASP 68 HB3 ASP 68 9.342 -6.091 -8.331 485 H VAL 69 H VAL 69 7.316 -3.537 -5.425 486 HA VAL 69 HA VAL 69 9.228 -2.034 -3.813 487 HB VAL 69 HB VAL 69 7.472 -1.104 -2.316 488 HG11 VAL 69 HG11 VAL 69 7.046 -0.391 -5.120 489 HG12 VAL 69 HG12 VAL 69 8.125 0.275 -3.860 490 HG13 VAL 69 HG13 VAL 69 6.373 0.433 -3.679 491 HG21 VAL 69 HG21 VAL 69 5.671 -2.348 -2.068 492 HG22 VAL 69 HG22 VAL 69 5.430 -2.734 -3.802 493 HG23 VAL 69 HG23 VAL 69 4.950 -1.142 -3.158 494 H ARG 70 H ARG 70 8.431 -5.045 -3.852 495 HA ARG 70 HA ARG 70 8.242 -6.252 -1.265 496 HB2 ARG 70 HB2 ARG 70 9.518 -7.353 -3.785 497 HB3 ARG 70 HB3 ARG 70 9.578 -8.289 -2.311 498 HG2 ARG 70 HG2 ARG 70 7.066 -8.317 -2.274 499 HG3 ARG 70 HG3 ARG 70 7.061 -7.418 -3.785 500 HD2 ARG 70 HD2 ARG 70 6.683 -9.690 -4.398 501 HD3 ARG 70 HD3 ARG 70 8.365 -9.380 -4.796 502 HE ARG 70 HE ARG 70 8.194 -10.549 -2.186 503 HH11 ARG 70 HH11 ARG 70 7.958 -11.867 -5.574 504 HH12 ARG 70 HH12 ARG 70 8.405 -13.461 -5.066 505 HH21 ARG 70 HH21 ARG 70 8.761 -12.659 -1.672 506 HH22 ARG 70 HH22 ARG 70 8.852 -13.894 -2.884 507 H GLU 71 H GLU 71 11.250 -4.759 -2.508 508 HA GLU 71 HA GLU 71 12.633 -4.806 -0.069 509 HB2 GLU 71 HB2 GLU 71 13.733 -6.296 -2.470 510 HB3 GLU 71 HB3 GLU 71 14.843 -5.330 -1.529 511 HG2 GLU 71 HG2 GLU 71 14.322 -6.767 0.476 512 HG3 GLU 71 HG3 GLU 71 13.176 -7.685 -0.490 513 H VAL 72 H VAL 72 11.864 -2.651 -0.177 514 HA VAL 72 HA VAL 72 13.784 -0.721 -1.300 515 HB VAL 72 HB VAL 72 12.215 1.010 -1.987 516 HG11 VAL 72 HG11 VAL 72 12.664 -0.469 -3.908 517 HG12 VAL 72 HG12 VAL 72 11.020 0.148 -4.098 518 HG13 VAL 72 HG13 VAL 72 11.272 -1.488 -3.504 519 HG21 VAL 72 HG21 VAL 72 9.668 -0.450 -1.449 520 HG22 VAL 72 HG22 VAL 72 9.747 1.092 -2.334 521 HG23 VAL 72 HG23 VAL 72 10.312 0.981 -0.646 522 H THR 73 H THR 73 13.674 1.328 -0.297 523 HA THR 73 HA THR 73 13.202 1.522 2.627 524 HB THR 73 HB THR 73 13.925 4.081 2.250 525 HG1 THR 73 HG1 THR 73 14.778 3.001 -0.195 526 HG21 THR 73 HG21 THR 73 15.316 2.592 3.491 527 HG22 THR 73 HG22 THR 73 16.309 3.585 2.415 528 HG23 THR 73 HG23 THR 73 15.980 1.887 2.000 529 H HIS 74 H HIS 74 12.016 3.475 3.647 530 HA HIS 74 HA HIS 74 9.230 3.719 3.215 531 HB2 HIS 74 HB2 HIS 74 10.500 4.282 5.382 532 HB3 HIS 74 HB3 HIS 74 11.102 5.738 4.649 533 HD1 HIS 74 HD1 HIS 74 9.620 7.862 4.932 534 HD2 HIS 74 HD2 HIS 74 7.756 4.420 6.373 535 HE1 HIS 74 HE1 HIS 74 7.678 8.678 6.324 536 HE2 HIS 74 HE2 HIS 74 6.580 6.578 7.199 537 H SER 75 H SER 75 11.700 6.245 2.260 538 HA SER 75 HA SER 75 10.074 8.047 0.757 539 HB2 SER 75 HB2 SER 75 12.178 8.725 1.893 540 HB3 SER 75 HB3 SER 75 13.132 7.783 0.743 541 HG SER 75 HG SER 75 13.046 9.462 -0.567 542 H ALA 76 H ALA 76 11.675 4.874 -0.389 543 HA ALA 76 HA ALA 76 11.605 5.441 -3.186 544 HB1 ALA 76 HB1 ALA 76 13.382 4.105 -2.073 545 HB2 ALA 76 HB2 ALA 76 12.506 3.123 -3.278 546 HB3 ALA 76 HB3 ALA 76 12.141 2.967 -1.559 547 H ALA 77 H ALA 77 9.318 4.149 -0.733 548 HA ALA 77 HA ALA 77 7.379 2.975 -2.602 549 HB1 ALA 77 HB1 ALA 77 6.102 2.348 -0.589 550 HB2 ALA 77 HB2 ALA 77 7.165 3.365 0.393 551 HB3 ALA 77 HB3 ALA 77 7.809 1.904 -0.369 552 H VAL 78 H VAL 78 7.694 6.006 -0.649 553 HA VAL 78 HA VAL 78 5.087 7.258 -1.362 554 HB VAL 78 HB VAL 78 7.590 8.575 0.051 555 HG11 VAL 78 HG11 VAL 78 6.190 10.416 0.886 556 HG12 VAL 78 HG12 VAL 78 4.763 9.690 0.158 557 HG13 VAL 78 HG13 VAL 78 6.022 10.385 -0.889 558 HG21 VAL 78 HG21 VAL 78 6.334 8.422 2.137 559 HG22 VAL 78 HG22 VAL 78 6.516 6.823 1.363 560 HG23 VAL 78 HG23 VAL 78 4.986 7.723 1.223 561 H GLU 79 H GLU 79 8.417 7.690 -2.732 562 HA GLU 79 HA GLU 79 7.954 9.739 -4.725 563 HB2 GLU 79 HB2 GLU 79 10.161 7.712 -4.519 564 HB3 GLU 79 HB3 GLU 79 10.146 8.841 -5.860 565 HG2 GLU 79 HG2 GLU 79 10.143 10.726 -4.129 566 HG3 GLU 79 HG3 GLU 79 10.358 9.430 -2.946 567 H ALA 80 H ALA 80 7.368 6.294 -4.977 568 HA ALA 80 HA ALA 80 6.707 6.150 -7.789 569 HB1 ALA 80 HB1 ALA 80 5.992 4.229 -5.520 570 HB2 ALA 80 HB2 ALA 80 7.440 4.124 -6.502 571 HB3 ALA 80 HB3 ALA 80 5.857 3.849 -7.220 572 H LEU 81 H LEU 81 4.848 7.162 -4.806 573 HA LEU 81 HA LEU 81 2.241 7.197 -6.113 574 HB2 LEU 81 HB2 LEU 81 2.739 7.876 -3.184 575 HB3 LEU 81 HB3 LEU 81 1.217 7.478 -3.917 576 HG LEU 81 HG LEU 81 3.441 5.621 -2.985 577 HD11 LEU 81 HD11 LEU 81 0.586 5.729 -2.347 578 HD12 LEU 81 HD12 LEU 81 1.990 6.180 -1.338 579 HD13 LEU 81 HD13 LEU 81 1.732 4.487 -1.836 580 HD21 LEU 81 HD21 LEU 81 2.888 4.649 -5.033 581 HD22 LEU 81 HD22 LEU 81 1.142 4.683 -4.714 582 HD23 LEU 81 HD23 LEU 81 2.214 3.609 -3.769 583 H LYS 82 H LYS 82 4.639 9.545 -5.034 584 HA LYS 82 HA LYS 82 3.024 11.920 -5.580 585 HB2 LYS 82 HB2 LYS 82 5.797 11.577 -4.385 586 HB3 LYS 82 HB3 LYS 82 5.362 13.148 -5.006 587 HG2 LYS 82 HG2 LYS 82 3.475 13.230 -3.369 588 HG3 LYS 82 HG3 LYS 82 3.967 11.652 -2.754 589 HD2 LYS 82 HD2 LYS 82 6.112 12.551 -2.025 590 HD3 LYS 82 HD3 LYS 82 5.758 14.113 -2.753 591 HE2 LYS 82 HE2 LYS 82 4.130 12.923 -0.475 592 HE3 LYS 82 HE3 LYS 82 5.544 13.926 -0.203 593 HZ1 LYS 82 HZ1 LYS 82 3.040 14.789 -1.595 594 HZ2 LYS 82 HZ2 LYS 82 4.393 15.767 -1.337 595 HZ3 LYS 82 HZ3 LYS 82 3.488 15.217 -0.018 596 H GLU 83 H GLU 83 5.854 10.318 -7.135 597 HA GLU 83 HA GLU 83 5.914 12.248 -9.393 598 HB2 GLU 83 HB2 GLU 83 7.716 10.184 -8.540 599 HB3 GLU 83 HB3 GLU 83 8.032 10.855 -10.144 600 HG2 GLU 83 HG2 GLU 83 7.893 13.075 -9.053 601 HG3 GLU 83 HG3 GLU 83 7.988 12.262 -7.507 602 H ALA 84 H ALA 84 4.059 9.651 -9.180 603 HA ALA 84 HA ALA 84 4.171 8.329 -11.774 604 HB1 ALA 84 HB1 ALA 84 1.659 8.536 -10.052 605 HB2 ALA 84 HB2 ALA 84 2.930 7.347 -9.826 606 HB3 ALA 84 HB3 ALA 84 1.971 7.334 -11.300 607 H GLY 85 H GLY 85 2.621 11.346 -10.913 608 HA2 GLY 85 HA2 GLY 85 2.940 13.190 -12.628 609 HA3 GLY 85 HA3 GLY 85 2.233 12.026 -13.734 610 H SER 86 H SER 86 0.006 11.219 -12.117 611 HA SER 86 HA SER 86 -1.951 13.080 -11.327 612 HB2 SER 86 HB2 SER 86 -1.781 12.583 -14.203 613 HB3 SER 86 HB3 SER 86 -3.462 12.825 -13.624 614 HG SER 86 HG SER 86 -2.943 14.935 -13.883 615 H ILE 87 H ILE 87 -1.222 9.938 -12.877 616 HA ILE 87 HA ILE 87 -3.492 8.569 -11.593 617 HB ILE 87 HB ILE 87 -2.483 7.781 -14.443 618 HG12 ILE 87 HG12 ILE 87 -3.738 9.866 -14.670 619 HG13 ILE 87 HG13 ILE 87 -4.603 8.637 -15.588 620 HG21 ILE 87 HG21 ILE 87 -4.389 6.208 -14.823 621 HG22 ILE 87 HG22 ILE 87 -4.818 6.432 -13.121 622 HG23 ILE 87 HG23 ILE 87 -3.252 5.726 -13.540 623 HD11 ILE 87 HD11 ILE 87 -5.425 9.984 -12.938 624 HD12 ILE 87 HD12 ILE 87 -6.358 8.724 -13.689 625 HD13 ILE 87 HD13 ILE 87 -6.179 10.283 -14.512 626 H VAL 88 H VAL 88 -3.027 7.130 -10.230 627 HA VAL 88 HA VAL 88 -0.453 5.693 -10.101 628 HB VAL 88 HB VAL 88 -1.952 6.712 -7.536 629 HG11 VAL 88 HG11 VAL 88 0.797 5.632 -7.645 630 HG12 VAL 88 HG12 VAL 88 -0.686 4.853 -7.046 631 HG13 VAL 88 HG13 VAL 88 -0.019 6.273 -6.186 632 HG21 VAL 88 HG21 VAL 88 -1.003 8.762 -8.562 633 HG22 VAL 88 HG22 VAL 88 0.593 8.036 -8.603 634 HG23 VAL 88 HG23 VAL 88 -0.164 8.381 -7.059 635 H ARG 89 H ARG 89 -0.627 3.620 -10.090 636 HA ARG 89 HA ARG 89 -3.102 2.149 -9.465 637 HB2 ARG 89 HB2 ARG 89 -2.788 0.448 -11.544 638 HB3 ARG 89 HB3 ARG 89 -3.339 2.043 -11.925 639 HG2 ARG 89 HG2 ARG 89 -1.115 2.568 -12.789 640 HG3 ARG 89 HG3 ARG 89 -0.557 0.954 -12.311 641 HD2 ARG 89 HD2 ARG 89 -2.340 -0.012 -13.592 642 HD3 ARG 89 HD3 ARG 89 -2.824 1.590 -14.131 643 HE ARG 89 HE ARG 89 -0.104 1.310 -14.813 644 HH11 ARG 89 HH11 ARG 89 -3.061 -0.290 -16.223 645 HH12 ARG 89 HH12 ARG 89 -2.289 -0.546 -17.752 646 HH21 ARG 89 HH21 ARG 89 0.769 0.912 -16.849 647 HH22 ARG 89 HH22 ARG 89 -0.147 0.129 -18.092 648 H LEU 90 H LEU 90 -3.136 0.865 -7.907 649 HA LEU 90 HA LEU 90 -0.734 -0.505 -6.884 650 HB2 LEU 90 HB2 LEU 90 -1.905 -0.443 -4.567 651 HB3 LEU 90 HB3 LEU 90 -1.463 1.120 -5.186 652 HG LEU 90 HG LEU 90 -4.083 1.183 -5.801 653 HD11 LEU 90 HD11 LEU 90 -4.626 -1.047 -5.120 654 HD12 LEU 90 HD12 LEU 90 -5.436 0.105 -4.044 655 HD13 LEU 90 HD13 LEU 90 -3.974 -0.752 -3.512 656 HD21 LEU 90 HD21 LEU 90 -4.403 2.355 -3.703 657 HD22 LEU 90 HD22 LEU 90 -2.800 2.668 -4.417 658 HD23 LEU 90 HD23 LEU 90 -2.951 1.563 -3.054 659 H TYR 91 H TYR 91 -0.525 -2.548 -6.225 660 HA TYR 91 HA TYR 91 -2.664 -4.532 -6.722 661 HB2 TYR 91 HB2 TYR 91 -0.521 -4.575 -8.394 662 HB3 TYR 91 HB3 TYR 91 0.298 -5.198 -7.045 663 HD1 TYR 91 HD1 TYR 91 -3.041 -6.312 -8.513 664 HD2 TYR 91 HD2 TYR 91 0.915 -7.385 -7.390 665 HE1 TYR 91 HE1 TYR 91 -3.582 -8.512 -9.035 666 HE2 TYR 91 HE2 TYR 91 0.469 -9.684 -7.923 667 HH TYR 91 HH TYR 91 -2.317 -10.658 -9.725 668 H VAL 92 H VAL 92 -3.498 -5.263 -5.035 669 HA VAL 92 HA VAL 92 -2.019 -5.680 -2.484 670 HB VAL 92 HB VAL 92 -4.160 -5.402 -1.161 671 HG11 VAL 92 HG11 VAL 92 -4.708 -3.071 -1.473 672 HG12 VAL 92 HG12 VAL 92 -3.852 -3.087 -3.007 673 HG13 VAL 92 HG13 VAL 92 -2.966 -3.382 -1.506 674 HG21 VAL 92 HG21 VAL 92 -5.626 -4.977 -3.809 675 HG22 VAL 92 HG22 VAL 92 -6.393 -4.800 -2.183 676 HG23 VAL 92 HG23 VAL 92 -5.676 -6.352 -2.728 677 H MET 93 H MET 93 -2.785 -7.287 -0.880 678 HA MET 93 HA MET 93 -3.430 -9.991 -1.878 679 HB2 MET 93 HB2 MET 93 -1.517 -11.189 -0.568 680 HB3 MET 93 HB3 MET 93 -0.976 -10.164 -1.870 681 HG2 MET 93 HG2 MET 93 0.637 -9.963 -0.091 682 HG3 MET 93 HG3 MET 93 -0.228 -8.447 -0.167 683 HE1 MET 93 HE1 MET 93 -0.708 -12.014 1.825 684 HE2 MET 93 HE2 MET 93 -0.253 -11.453 3.433 685 HE3 MET 93 HE3 MET 93 0.935 -11.446 2.130 686 H ARG 94 H ARG 94 -5.042 -11.089 -0.968 687 HA ARG 94 HA ARG 94 -5.580 -10.910 1.877 688 HB2 ARG 94 HB2 ARG 94 -8.174 -10.801 1.563 689 HB3 ARG 94 HB3 ARG 94 -7.335 -9.335 1.155 690 HG2 ARG 94 HG2 ARG 94 -7.705 -9.825 -1.272 691 HG3 ARG 94 HG3 ARG 94 -8.514 -11.330 -0.835 692 HD2 ARG 94 HD2 ARG 94 -10.212 -10.024 0.400 693 HD3 ARG 94 HD3 ARG 94 -9.410 -8.536 -0.104 694 HE ARG 94 HE ARG 94 -9.993 -9.985 -2.429 695 HH11 ARG 94 HH11 ARG 94 -12.162 -8.238 -0.069 696 HH12 ARG 94 HH12 ARG 94 -13.402 -8.019 -1.258 697 HH21 ARG 94 HH21 ARG 94 -11.694 -9.628 -3.859 698 HH22 ARG 94 HH22 ARG 94 -13.133 -8.798 -3.369 699 H ARG 95 H ARG 95 -6.000 -12.619 3.038 700 HA ARG 95 HA ARG 95 -5.720 -15.278 1.883 701 HB2 ARG 95 HB2 ARG 95 -5.505 -14.325 4.754 702 HB3 ARG 95 HB3 ARG 95 -5.743 -16.036 4.462 703 HG2 ARG 95 HG2 ARG 95 -3.697 -16.047 3.078 704 HG3 ARG 95 HG3 ARG 95 -3.423 -14.350 3.489 705 HD2 ARG 95 HD2 ARG 95 -3.333 -14.977 5.882 706 HD3 ARG 95 HD3 ARG 95 -3.575 -16.665 5.415 707 HE ARG 95 HE ARG 95 -1.325 -15.750 4.023 708 HH11 ARG 95 HH11 ARG 95 -1.829 -16.408 7.574 709 HH12 ARG 95 HH12 ARG 95 -0.145 -16.718 7.837 710 HH21 ARG 95 HH21 ARG 95 0.830 -16.180 4.511 711 HH22 ARG 95 HH22 ARG 95 1.333 -16.588 6.117 712 H LYS 96 H LYS 96 -6.872 -17.088 1.973 713 HA LYS 96 HA LYS 96 -9.768 -16.889 1.679 714 HB2 LYS 96 HB2 LYS 96 -7.892 -19.253 1.160 715 HB3 LYS 96 HB3 LYS 96 -9.622 -19.422 1.007 716 HG2 LYS 96 HG2 LYS 96 -9.637 -17.841 -0.873 717 HG3 LYS 96 HG3 LYS 96 -7.918 -17.521 -0.639 718 HD2 LYS 96 HD2 LYS 96 -7.370 -19.838 -1.213 719 HD3 LYS 96 HD3 LYS 96 -9.077 -20.238 -1.383 720 HE2 LYS 96 HE2 LYS 96 -7.667 -18.170 -3.112 721 HE3 LYS 96 HE3 LYS 96 -7.726 -19.870 -3.541 722 HZ1 LYS 96 HZ1 LYS 96 -9.440 -18.594 -4.707 723 HZ2 LYS 96 HZ2 LYS 96 -10.098 -18.071 -3.240 724 HZ3 LYS 96 HZ3 LYS 96 -10.166 -19.707 -3.656 725 HA PRO 97 HA PRO 97 -11.102 -18.519 5.935 726 HB2 PRO 97 HB2 PRO 97 -13.940 -18.320 5.065 727 HB3 PRO 97 HB3 PRO 97 -13.117 -17.453 6.361 728 HG2 PRO 97 HG2 PRO 97 -13.906 -16.193 4.123 729 HG3 PRO 97 HG3 PRO 97 -12.394 -15.754 4.938 730 HD2 PRO 97 HD2 PRO 97 -12.792 -17.507 2.519 731 HD3 PRO 97 HD3 PRO 97 -11.639 -16.171 2.748 732 HA PRO 98 HA PRO 98 -12.020 -23.172 5.351 733 HB2 PRO 98 HB2 PRO 98 -12.800 -23.431 8.224 734 HB3 PRO 98 HB3 PRO 98 -11.477 -24.209 7.354 735 HG2 PRO 98 HG2 PRO 98 -10.982 -22.286 9.149 736 HG3 PRO 98 HG3 PRO 98 -10.040 -22.388 7.650 737 HD2 PRO 98 HD2 PRO 98 -12.362 -20.578 8.297 738 HD3 PRO 98 HD3 PRO 98 -10.787 -20.152 7.592 739 H ALA 99 H ALA 99 -14.693 -21.329 7.024 740 HA ALA 99 HA ALA 99 -16.784 -23.113 5.960 741 HB1 ALA 99 HB1 ALA 99 -16.752 -23.076 8.478 742 HB2 ALA 99 HB2 ALA 99 -18.285 -22.482 7.842 743 HB3 ALA 99 HB3 ALA 99 -17.083 -21.341 8.444 744 H1 VAL 1 H1 VAL 1 4.246 0.146 15.365 745 H2 VAL 1 H2 VAL 1 5.848 0.236 15.899 746 H3 VAL 1 H3 VAL 1 4.957 1.654 15.664 747 HA VAL 1 HA VAL 1 3.595 1.280 17.364 748 HB VAL 1 HB VAL 1 3.357 -1.257 16.959 749 HG11 VAL 1 HG11 VAL 1 5.514 -2.204 16.989 750 HG12 VAL 1 HG12 VAL 1 4.525 -3.045 18.175 751 HG13 VAL 1 HG13 VAL 1 5.714 -1.859 18.703 752 HG21 VAL 1 HG21 VAL 1 3.382 -0.582 19.918 753 HG22 VAL 1 HG22 VAL 1 2.641 -2.033 19.244 754 HG23 VAL 1 HG23 VAL 1 2.020 -0.444 18.801 755 H VAL 2 H VAL 2 6.832 -0.005 18.078 756 HA VAL 2 HA VAL 2 7.512 2.260 19.818 757 HB VAL 2 HB VAL 2 7.425 -0.080 20.875 758 HG11 VAL 2 HG11 VAL 2 9.202 -1.791 20.804 759 HG12 VAL 2 HG12 VAL 2 9.817 -1.014 19.345 760 HG13 VAL 2 HG13 VAL 2 8.183 -1.668 19.366 761 HG21 VAL 2 HG21 VAL 2 9.483 -0.013 22.324 762 HG22 VAL 2 HG22 VAL 2 8.630 1.523 22.192 763 HG23 VAL 2 HG23 VAL 2 10.114 1.260 21.275 764 H SER 3 H SER 3 7.783 1.660 16.641 765 HA SER 3 HA SER 3 10.532 2.682 16.007 766 HB2 SER 3 HB2 SER 3 9.276 0.185 14.785 767 HB3 SER 3 HB3 SER 3 10.687 0.993 14.113 768 HG SER 3 HG SER 3 11.636 -0.428 15.404 769 H GLU 4 H GLU 4 7.268 3.290 15.658 770 HA GLU 4 HA GLU 4 6.948 4.052 12.835 771 HB2 GLU 4 HB2 GLU 4 5.286 2.677 14.215 772 HB3 GLU 4 HB3 GLU 4 4.834 4.159 15.081 773 HG2 GLU 4 HG2 GLU 4 4.226 4.759 12.420 774 HG3 GLU 4 HG3 GLU 4 4.331 2.987 12.518 775 H ARG 5 H ARG 5 6.429 6.095 12.038 776 HA ARG 5 HA ARG 5 6.143 8.446 13.736 777 HB2 ARG 5 HB2 ARG 5 7.060 9.991 11.826 778 HB3 ARG 5 HB3 ARG 5 8.257 9.003 12.604 779 HG2 ARG 5 HG2 ARG 5 7.110 8.270 9.848 780 HG3 ARG 5 HG3 ARG 5 8.424 9.413 10.012 781 HD2 ARG 5 HD2 ARG 5 8.555 6.511 10.964 782 HD3 ARG 5 HD3 ARG 5 9.102 7.036 9.377 783 HE ARG 5 HE ARG 5 10.505 8.596 11.233 784 HH11 ARG 5 HH11 ARG 5 10.656 5.012 10.598 785 HH12 ARG 5 HH12 ARG 5 12.281 4.901 11.185 786 HH21 ARG 5 HH21 ARG 5 12.607 8.302 11.965 787 HH22 ARG 5 HH22 ARG 5 13.363 6.744 11.949 788 H ILE 6 H ILE 6 4.923 6.920 10.706 789 HA ILE 6 HA ILE 6 3.394 7.322 9.307 790 HB ILE 6 HB ILE 6 2.267 6.268 11.657 791 HG12 ILE 6 HG12 ILE 6 2.941 4.632 10.037 792 HG13 ILE 6 HG13 ILE 6 1.278 4.307 10.425 793 HG21 ILE 6 HG21 ILE 6 -0.170 7.360 10.549 794 HG22 ILE 6 HG22 ILE 6 0.493 7.349 12.182 795 HG23 ILE 6 HG23 ILE 6 -0.139 5.860 11.482 796 HD11 ILE 6 HD11 ILE 6 2.320 5.483 7.790 797 HD12 ILE 6 HD12 ILE 6 0.628 5.138 8.062 798 HD13 ILE 6 HD13 ILE 6 1.762 3.851 7.969 799 H SER 7 H SER 7 4.166 9.038 8.627 800 HA SER 7 HA SER 7 2.341 11.412 8.283 801 HB2 SER 7 HB2 SER 7 4.513 11.908 9.584 802 HB3 SER 7 HB3 SER 7 5.429 11.509 8.138 803 HG SER 7 HG SER 7 4.793 13.381 7.213 804 H SER 8 H SER 8 2.744 8.807 6.509 805 HA SER 8 HA SER 8 3.693 9.705 3.890 806 HB2 SER 8 HB2 SER 8 2.872 6.844 4.750 807 HB3 SER 8 HB3 SER 8 3.541 7.310 3.213 808 HG SER 8 HG SER 8 4.917 7.861 5.612 809 H VAL 9 H VAL 9 2.265 8.229 1.911 810 HA VAL 9 HA VAL 9 -0.398 9.549 1.719 811 HB VAL 9 HB VAL 9 1.315 8.884 -0.871 812 HG11 VAL 9 HG11 VAL 9 -1.046 9.522 -1.347 813 HG12 VAL 9 HG12 VAL 9 0.034 10.733 -2.016 814 HG13 VAL 9 HG13 VAL 9 -0.832 11.062 -0.531 815 HG21 VAL 9 HG21 VAL 9 1.446 11.630 0.477 816 HG22 VAL 9 HG22 VAL 9 2.128 11.240 -1.099 817 HG23 VAL 9 HG23 VAL 9 2.777 10.473 0.354 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -10.389 -28.662 -7.126 2 H2 GLY 1 H2 GLY 1 -11.508 -29.218 -5.987 3 H3 GLY 1 H3 GLY 1 -11.306 -30.048 -7.447 4 HA2 GLY 1 HA2 GLY 1 -10.219 -31.237 -5.655 5 HA3 GLY 1 HA3 GLY 1 -9.055 -30.669 -6.841 6 H ALA 2 H ALA 2 -7.560 -29.036 -6.340 7 HA ALA 2 HA ALA 2 -7.158 -28.352 -3.484 8 HB1 ALA 2 HB1 ALA 2 -5.292 -29.689 -4.509 9 HB2 ALA 2 HB2 ALA 2 -4.739 -28.097 -3.968 10 HB3 ALA 2 HB3 ALA 2 -5.032 -28.385 -5.678 11 H MET 3 H MET 3 -7.233 -26.342 -2.680 12 HA MET 3 HA MET 3 -7.215 -23.995 -4.452 13 HB2 MET 3 HB2 MET 3 -9.191 -24.535 -2.225 14 HB3 MET 3 HB3 MET 3 -8.742 -22.871 -2.514 15 HG2 MET 3 HG2 MET 3 -10.051 -24.721 -4.554 16 HG3 MET 3 HG3 MET 3 -10.812 -23.476 -3.554 17 HE1 MET 3 HE1 MET 3 -11.019 -22.013 -7.227 18 HE2 MET 3 HE2 MET 3 -11.949 -22.516 -5.815 19 HE3 MET 3 HE3 MET 3 -11.094 -23.719 -6.782 20 H GLU 4 H GLU 4 -6.395 -22.122 -4.026 21 HA GLU 4 HA GLU 4 -4.433 -21.682 -1.813 22 HB2 GLU 4 HB2 GLU 4 -3.938 -21.030 -4.804 23 HB3 GLU 4 HB3 GLU 4 -2.941 -20.377 -3.540 24 HG2 GLU 4 HG2 GLU 4 -2.152 -22.654 -2.939 25 HG3 GLU 4 HG3 GLU 4 -3.177 -23.344 -4.188 26 H MET 5 H MET 5 -3.672 -19.083 -1.802 27 HA MET 5 HA MET 5 -6.008 -17.519 -1.201 28 HB2 MET 5 HB2 MET 5 -4.453 -15.734 -0.213 29 HB3 MET 5 HB3 MET 5 -4.158 -17.319 0.439 30 HG2 MET 5 HG2 MET 5 -2.143 -17.448 -1.067 31 HG3 MET 5 HG3 MET 5 -2.424 -15.782 -1.526 32 HE1 MET 5 HE1 MET 5 0.356 -16.775 -0.286 33 HE2 MET 5 HE2 MET 5 0.710 -15.469 0.844 34 HE3 MET 5 HE3 MET 5 0.053 -15.101 -0.751 35 H GLU 6 H GLU 6 -6.146 -14.998 -1.722 36 HA GLU 6 HA GLU 6 -6.362 -14.776 -4.673 37 HB2 GLU 6 HB2 GLU 6 -8.718 -14.220 -2.760 38 HB3 GLU 6 HB3 GLU 6 -8.716 -13.618 -4.398 39 HG2 GLU 6 HG2 GLU 6 -8.612 -16.594 -3.720 40 HG3 GLU 6 HG3 GLU 6 -10.117 -15.725 -3.916 41 H TYR 7 H TYR 7 -5.657 -13.126 -5.672 42 HA TYR 7 HA TYR 7 -4.821 -10.644 -4.274 43 HB2 TYR 7 HB2 TYR 7 -3.739 -11.774 -6.923 44 HB3 TYR 7 HB3 TYR 7 -3.170 -10.327 -6.166 45 HD1 TYR 7 HD1 TYR 7 -3.146 -14.077 -5.746 46 HD2 TYR 7 HD2 TYR 7 -1.470 -10.370 -4.559 47 HE1 TYR 7 HE1 TYR 7 -1.366 -15.304 -4.656 48 HE2 TYR 7 HE2 TYR 7 0.434 -11.578 -3.460 49 HH TYR 7 HH TYR 7 1.000 -14.912 -3.934 50 H GLU 8 H GLU 8 -5.165 -8.571 -5.031 51 HA GLU 8 HA GLU 8 -7.187 -8.115 -7.190 52 HB2 GLU 8 HB2 GLU 8 -8.210 -8.090 -4.705 53 HB3 GLU 8 HB3 GLU 8 -7.450 -6.523 -4.559 54 HG2 GLU 8 HG2 GLU 8 -8.927 -5.654 -6.386 55 HG3 GLU 8 HG3 GLU 8 -9.662 -7.242 -6.541 56 H GLU 9 H GLU 9 -6.855 -6.474 -8.630 57 HA GLU 9 HA GLU 9 -4.774 -4.520 -8.150 58 HB2 GLU 9 HB2 GLU 9 -4.420 -4.273 -10.702 59 HB3 GLU 9 HB3 GLU 9 -4.021 -5.838 -10.030 60 HG2 GLU 9 HG2 GLU 9 -6.074 -6.830 -11.075 61 HG3 GLU 9 HG3 GLU 9 -6.525 -5.253 -11.704 62 H ILE 10 H ILE 10 -5.293 -2.431 -7.654 63 HA ILE 10 HA ILE 10 -7.874 -1.277 -8.580 64 HB ILE 10 HB ILE 10 -6.333 -0.657 -5.929 65 HG12 ILE 10 HG12 ILE 10 -9.168 -1.669 -5.612 66 HG13 ILE 10 HG13 ILE 10 -8.010 -2.828 -6.246 67 HG21 ILE 10 HG21 ILE 10 -8.327 0.735 -5.063 68 HG22 ILE 10 HG22 ILE 10 -8.954 0.790 -6.731 69 HG23 ILE 10 HG23 ILE 10 -7.353 1.458 -6.331 70 HD11 ILE 10 HD11 ILE 10 -6.581 -2.380 -4.240 71 HD12 ILE 10 HD12 ILE 10 -8.128 -3.142 -3.824 72 HD13 ILE 10 HD13 ILE 10 -7.874 -1.398 -3.567 73 H THR 11 H THR 11 -8.014 0.742 -9.566 74 HA THR 11 HA THR 11 -5.627 2.406 -9.944 75 HB THR 11 HB THR 11 -7.246 3.414 -11.963 76 HG1 THR 11 HG1 THR 11 -8.264 1.932 -13.104 77 HG21 THR 11 HG21 THR 11 -5.069 1.338 -12.313 78 HG22 THR 11 HG22 THR 11 -4.886 3.093 -12.214 79 HG23 THR 11 HG23 THR 11 -5.699 2.374 -13.607 80 H LEU 12 H LEU 12 -5.436 4.279 -9.163 81 HA LEU 12 HA LEU 12 -7.752 5.983 -8.436 82 HB2 LEU 12 HB2 LEU 12 -5.159 5.599 -6.846 83 HB3 LEU 12 HB3 LEU 12 -6.104 7.038 -6.632 84 HG LEU 12 HG LEU 12 -7.091 4.214 -5.842 85 HD11 LEU 12 HD11 LEU 12 -5.808 6.332 -4.195 86 HD12 LEU 12 HD12 LEU 12 -5.099 4.790 -4.671 87 HD13 LEU 12 HD13 LEU 12 -6.512 4.823 -3.613 88 HD21 LEU 12 HD21 LEU 12 -8.748 5.412 -4.450 89 HD22 LEU 12 HD22 LEU 12 -8.965 5.939 -6.112 90 HD23 LEU 12 HD23 LEU 12 -8.112 6.970 -4.972 91 H GLU 13 H GLU 13 -7.802 8.131 -8.952 92 HA GLU 13 HA GLU 13 -5.656 9.407 -10.598 93 HB2 GLU 13 HB2 GLU 13 -8.569 10.393 -10.132 94 HB3 GLU 13 HB3 GLU 13 -7.402 11.205 -11.151 95 HG2 GLU 13 HG2 GLU 13 -7.531 9.380 -12.756 96 HG3 GLU 13 HG3 GLU 13 -8.555 8.473 -11.655 97 H ARG 14 H ARG 14 -4.310 10.834 -9.782 98 HA ARG 14 HA ARG 14 -3.743 11.265 -7.071 99 HB2 ARG 14 HB2 ARG 14 -2.216 11.507 -9.249 100 HB3 ARG 14 HB3 ARG 14 -2.640 13.201 -9.168 101 HG2 ARG 14 HG2 ARG 14 -1.570 13.257 -6.841 102 HG3 ARG 14 HG3 ARG 14 -1.021 11.612 -7.125 103 HD2 ARG 14 HD2 ARG 14 0.851 12.954 -7.660 104 HD3 ARG 14 HD3 ARG 14 0.150 12.560 -9.224 105 HE ARG 14 HE ARG 14 -0.906 15.056 -8.357 106 HH11 ARG 14 HH11 ARG 14 2.328 14.071 -9.700 107 HH12 ARG 14 HH12 ARG 14 2.679 15.681 -10.236 108 HH21 ARG 14 HH21 ARG 14 -0.321 17.087 -9.097 109 HH22 ARG 14 HH22 ARG 14 1.192 17.361 -9.895 110 H GLY 15 H GLY 15 -4.789 12.207 -5.511 111 HA2 GLY 15 HA2 GLY 15 -6.721 14.391 -5.761 112 HA3 GLY 15 HA3 GLY 15 -6.369 13.479 -4.318 113 H ASN 16 H ASN 16 -7.010 16.205 -4.412 114 HA ASN 16 HA ASN 16 -4.709 17.971 -4.039 115 HB2 ASN 16 HB2 ASN 16 -7.722 18.523 -3.829 116 HB3 ASN 16 HB3 ASN 16 -6.542 19.751 -3.427 117 HD21 ASN 16 HD21 ASN 16 -5.411 20.791 -5.138 118 HD22 ASN 16 HD22 ASN 16 -5.892 20.648 -6.791 119 H SER 17 H SER 17 -6.653 16.029 -1.829 120 HA SER 17 HA SER 17 -5.782 17.308 0.671 121 HB2 SER 17 HB2 SER 17 -8.222 16.607 0.333 122 HB3 SER 17 HB3 SER 17 -7.698 14.933 0.305 123 HG SER 17 HG SER 17 -8.485 15.569 2.377 124 H GLY 18 H GLY 18 -4.786 14.297 -1.323 125 HA2 GLY 18 HA2 GLY 18 -2.534 13.520 -0.987 126 HA3 GLY 18 HA3 GLY 18 -2.819 13.558 0.742 127 H LEU 19 H LEU 19 -5.133 12.450 -1.718 128 HA LEU 19 HA LEU 19 -6.274 10.699 -2.304 129 HB2 LEU 19 HB2 LEU 19 -3.677 9.056 -2.020 130 HB3 LEU 19 HB3 LEU 19 -5.163 8.455 -2.775 131 HG LEU 19 HG LEU 19 -3.870 10.889 -3.834 132 HD11 LEU 19 HD11 LEU 19 -3.049 7.989 -4.218 133 HD12 LEU 19 HD12 LEU 19 -2.080 9.232 -3.450 134 HD13 LEU 19 HD13 LEU 19 -2.406 9.328 -5.196 135 HD21 LEU 19 HD21 LEU 19 -4.662 9.832 -5.987 136 HD22 LEU 19 HD22 LEU 19 -5.930 10.179 -4.806 137 HD23 LEU 19 HD23 LEU 19 -5.347 8.511 -4.997 138 H GLY 20 H GLY 20 -5.555 10.495 0.998 139 HA2 GLY 20 HA2 GLY 20 -7.279 10.220 2.626 140 HA3 GLY 20 HA3 GLY 20 -8.178 9.246 1.495 141 H PHE 21 H PHE 21 -4.697 8.457 2.233 142 HA PHE 21 HA PHE 21 -5.155 6.698 4.399 143 HB2 PHE 21 HB2 PHE 21 -4.515 4.514 3.364 144 HB3 PHE 21 HB3 PHE 21 -5.836 5.162 2.486 145 HD1 PHE 21 HD1 PHE 21 -5.203 6.341 0.005 146 HD2 PHE 21 HD2 PHE 21 -2.707 3.589 2.177 147 HE1 PHE 21 HE1 PHE 21 -4.085 5.712 -2.109 148 HE2 PHE 21 HE2 PHE 21 -1.565 2.980 0.057 149 HZ PHE 21 HZ PHE 21 -2.255 4.046 -2.076 150 H SER 22 H SER 22 -2.788 5.664 5.294 151 HA SER 22 HA SER 22 -0.431 6.929 4.146 152 HB2 SER 22 HB2 SER 22 -1.095 6.834 7.126 153 HB3 SER 22 HB3 SER 22 0.524 7.136 6.481 154 HG SER 22 HG SER 22 -0.470 9.135 6.899 155 H ILE 23 H ILE 23 1.587 5.694 4.182 156 HA ILE 23 HA ILE 23 1.333 2.877 4.942 157 HB ILE 23 HB ILE 23 2.667 2.070 2.890 158 HG12 ILE 23 HG12 ILE 23 1.776 3.095 0.644 159 HG13 ILE 23 HG13 ILE 23 1.289 4.493 1.573 160 HG21 ILE 23 HG21 ILE 23 0.751 1.163 3.416 161 HG22 ILE 23 HG22 ILE 23 0.284 1.813 1.774 162 HG23 ILE 23 HG23 ILE 23 -0.013 2.716 3.323 163 HD11 ILE 23 HD11 ILE 23 3.243 5.064 0.276 164 HD12 ILE 23 HD12 ILE 23 4.141 3.659 0.817 165 HD13 ILE 23 HD13 ILE 23 3.781 4.973 1.950 166 H ALA 24 H ALA 24 2.557 1.548 5.788 167 HA ALA 24 HA ALA 24 5.165 2.567 6.773 168 HB1 ALA 24 HB1 ALA 24 4.869 1.139 8.795 169 HB2 ALA 24 HB2 ALA 24 3.457 0.387 8.105 170 HB3 ALA 24 HB3 ALA 24 3.400 2.098 8.560 171 H GLY 25 H GLY 25 6.968 1.800 6.062 172 HA2 GLY 25 HA2 GLY 25 7.663 -0.918 5.405 173 HA3 GLY 25 HA3 GLY 25 7.389 0.032 3.957 174 H GLY 26 H GLY 26 9.825 -1.149 4.361 175 HA2 GLY 26 HA2 GLY 26 11.839 0.814 4.374 176 HA3 GLY 26 HA3 GLY 26 11.676 0.375 6.046 177 H THR 27 H THR 27 13.806 0.259 3.864 178 HA THR 27 HA THR 27 14.849 -2.361 4.634 179 HB THR 27 HB THR 27 17.004 -1.693 3.176 180 HG1 THR 27 HG1 THR 27 15.924 0.449 2.729 181 HG21 THR 27 HG21 THR 27 16.030 -2.777 1.139 182 HG22 THR 27 HG22 THR 27 14.434 -2.623 1.863 183 HG23 THR 27 HG23 THR 27 15.655 -3.624 2.638 184 H ASP 28 H ASP 28 15.616 1.090 5.267 185 HA ASP 28 HA ASP 28 17.334 0.173 7.398 186 HB2 ASP 28 HB2 ASP 28 18.474 2.552 7.518 187 HB3 ASP 28 HB3 ASP 28 19.019 1.467 6.252 188 H ASN 29 H ASN 29 14.449 2.021 6.906 189 HA ASN 29 HA ASN 29 14.190 2.755 9.729 190 HB2 ASN 29 HB2 ASN 29 12.746 3.990 7.288 191 HB3 ASN 29 HB3 ASN 29 12.137 4.256 8.907 192 HD21 ASN 29 HD21 ASN 29 14.599 5.049 6.573 193 HD22 ASN 29 HD22 ASN 29 15.321 6.357 7.443 194 HA PRO 30 HA PRO 30 11.332 -1.035 10.094 195 HB2 PRO 30 HB2 PRO 30 11.580 -1.105 12.976 196 HB3 PRO 30 HB3 PRO 30 12.258 -2.194 11.791 197 HG2 PRO 30 HG2 PRO 30 13.824 -0.483 13.322 198 HG3 PRO 30 HG3 PRO 30 14.325 -1.200 11.787 199 HD2 PRO 30 HD2 PRO 30 13.349 1.588 12.344 200 HD3 PRO 30 HD3 PRO 30 14.568 1.013 11.201 201 H HIS 31 H HIS 31 9.280 -1.735 10.899 202 HA HIS 31 HA HIS 31 7.387 0.242 11.946 203 HB2 HIS 31 HB2 HIS 31 6.660 -0.586 9.742 204 HB3 HIS 31 HB3 HIS 31 6.988 -2.240 10.164 205 HD1 HIS 31 HD1 HIS 31 4.391 0.381 11.460 206 HD2 HIS 31 HD2 HIS 31 4.664 -3.574 10.239 207 HE1 HIS 31 HE1 HIS 31 2.051 -0.549 11.707 208 HE2 HIS 31 HE2 HIS 31 2.253 -2.974 11.047 209 H ILE 32 H ILE 32 8.559 -3.162 12.716 210 HA ILE 32 HA ILE 32 7.256 -3.006 15.364 211 HB ILE 32 HB ILE 32 6.556 -5.316 15.538 212 HG12 ILE 32 HG12 ILE 32 8.219 -6.903 14.549 213 HG13 ILE 32 HG13 ILE 32 6.719 -7.227 13.734 214 HG21 ILE 32 HG21 ILE 32 4.868 -4.129 14.475 215 HG22 ILE 32 HG22 ILE 32 4.908 -5.772 13.758 216 HG23 ILE 32 HG23 ILE 32 5.672 -4.420 12.912 217 HD11 ILE 32 HD11 ILE 32 7.595 -6.097 11.712 218 HD12 ILE 32 HD12 ILE 32 8.715 -7.388 12.231 219 HD13 ILE 32 HD13 ILE 32 9.051 -5.680 12.623 220 H GLY 33 H GLY 33 10.062 -4.307 13.752 221 HA2 GLY 33 HA2 GLY 33 11.929 -4.025 15.979 222 HA3 GLY 33 HA3 GLY 33 11.602 -5.698 15.492 223 H ASP 34 H ASP 34 11.487 -5.738 12.943 224 HA ASP 34 HA ASP 34 13.359 -4.417 11.304 225 HB2 ASP 34 HB2 ASP 34 15.066 -6.058 12.638 226 HB3 ASP 34 HB3 ASP 34 14.285 -7.384 11.810 227 H ASP 35 H ASP 35 11.459 -4.091 10.298 228 HA ASP 35 HA ASP 35 10.010 -6.275 8.958 229 HB2 ASP 35 HB2 ASP 35 8.759 -4.631 10.458 230 HB3 ASP 35 HB3 ASP 35 8.949 -3.334 9.342 231 HA PRO 36 HA PRO 36 12.177 -5.063 4.831 232 HB2 PRO 36 HB2 PRO 36 11.640 -7.825 3.879 233 HB3 PRO 36 HB3 PRO 36 13.186 -7.004 4.077 234 HG2 PRO 36 HG2 PRO 36 12.458 -9.035 5.694 235 HG3 PRO 36 HG3 PRO 36 13.396 -7.661 6.304 236 HD2 PRO 36 HD2 PRO 36 10.431 -8.166 6.524 237 HD3 PRO 36 HD3 PRO 36 11.578 -7.690 7.797 238 H SER 37 H SER 37 8.899 -6.560 5.052 239 HA SER 37 HA SER 37 7.998 -5.751 2.348 240 HB2 SER 37 HB2 SER 37 6.689 -7.658 4.373 241 HB3 SER 37 HB3 SER 37 5.938 -7.217 2.844 242 HG SER 37 HG SER 37 8.184 -8.830 3.341 243 H ILE 38 H ILE 38 6.093 -4.439 1.894 244 HA ILE 38 HA ILE 38 5.584 -2.386 3.938 245 HB ILE 38 HB ILE 38 4.620 -1.933 1.036 246 HG12 ILE 38 HG12 ILE 38 6.866 -2.060 -0.029 247 HG13 ILE 38 HG13 ILE 38 6.886 -0.484 0.553 248 HG21 ILE 38 HG21 ILE 38 3.852 -0.181 2.363 249 HG22 ILE 38 HG22 ILE 38 5.050 0.498 1.263 250 HG23 ILE 38 HG23 ILE 38 5.473 0.205 2.948 251 HD11 ILE 38 HD11 ILE 38 8.427 -0.867 2.339 252 HD12 ILE 38 HD12 ILE 38 9.067 -1.653 0.886 253 HD13 ILE 38 HD13 ILE 38 8.317 -2.620 2.134 254 H PHE 39 H PHE 39 3.732 -1.995 5.028 255 HA PHE 39 HA PHE 39 1.191 -3.483 4.547 256 HB2 PHE 39 HB2 PHE 39 2.517 -2.935 7.298 257 HB3 PHE 39 HB3 PHE 39 0.896 -3.529 7.127 258 HD1 PHE 39 HD1 PHE 39 0.719 -6.049 6.085 259 HD2 PHE 39 HD2 PHE 39 4.301 -4.371 7.720 260 HE1 PHE 39 HE1 PHE 39 1.593 -8.313 6.514 261 HE2 PHE 39 HE2 PHE 39 5.167 -6.629 8.141 262 HZ PHE 39 HZ PHE 39 3.815 -8.609 7.525 263 H ILE 40 H ILE 40 -0.914 -2.392 5.093 264 HA ILE 40 HA ILE 40 -0.963 0.478 5.597 265 HB ILE 40 HB ILE 40 -3.565 -1.090 5.704 266 HG12 ILE 40 HG12 ILE 40 -2.708 -2.209 3.619 267 HG13 ILE 40 HG13 ILE 40 -4.075 -1.222 3.211 268 HG21 ILE 40 HG21 ILE 40 -3.933 1.214 6.050 269 HG22 ILE 40 HG22 ILE 40 -4.714 0.754 4.546 270 HG23 ILE 40 HG23 ILE 40 -3.190 1.646 4.498 271 HD11 ILE 40 HD11 ILE 40 -1.162 -0.821 2.557 272 HD12 ILE 40 HD12 ILE 40 -2.324 0.467 2.522 273 HD13 ILE 40 HD13 ILE 40 -2.559 -0.944 1.399 274 H THR 41 H THR 41 -1.890 1.455 7.282 275 HA THR 41 HA THR 41 -2.828 0.275 9.698 276 HB THR 41 HB THR 41 -0.532 -0.152 10.414 277 HG1 THR 41 HG1 THR 41 -1.674 0.396 12.194 278 HG21 THR 41 HG21 THR 41 1.262 1.555 10.865 279 HG22 THR 41 HG22 THR 41 0.233 2.790 10.142 280 HG23 THR 41 HG23 THR 41 0.837 1.462 9.154 281 H LYS 42 H LYS 42 -2.505 3.279 7.831 282 HA LYS 42 HA LYS 42 -4.475 4.511 9.628 283 HB2 LYS 42 HB2 LYS 42 -1.950 5.557 9.536 284 HB3 LYS 42 HB3 LYS 42 -2.555 6.327 8.094 285 HG2 LYS 42 HG2 LYS 42 -4.155 6.729 10.564 286 HG3 LYS 42 HG3 LYS 42 -2.554 7.478 10.523 287 HD2 LYS 42 HD2 LYS 42 -3.212 8.693 8.470 288 HD3 LYS 42 HD3 LYS 42 -4.787 7.890 8.521 289 HE2 LYS 42 HE2 LYS 42 -5.363 8.955 10.545 290 HE3 LYS 42 HE3 LYS 42 -3.716 9.598 10.745 291 HZ1 LYS 42 HZ1 LYS 42 -5.684 10.357 8.644 292 HZ2 LYS 42 HZ2 LYS 42 -4.125 10.995 8.795 293 HZ3 LYS 42 HZ3 LYS 42 -5.282 11.297 9.992 294 H ILE 43 H ILE 43 -6.395 4.874 8.795 295 HA ILE 43 HA ILE 43 -6.766 5.520 5.992 296 HB ILE 43 HB ILE 43 -8.667 3.729 7.699 297 HG12 ILE 43 HG12 ILE 43 -7.007 2.202 6.714 298 HG13 ILE 43 HG13 ILE 43 -8.475 1.824 5.950 299 HG21 ILE 43 HG21 ILE 43 -10.347 4.963 6.667 300 HG22 ILE 43 HG22 ILE 43 -10.382 3.366 5.879 301 HG23 ILE 43 HG23 ILE 43 -9.630 4.754 5.066 302 HD11 ILE 43 HD11 ILE 43 -6.123 3.341 4.711 303 HD12 ILE 43 HD12 ILE 43 -7.620 3.073 3.832 304 HD13 ILE 43 HD13 ILE 43 -6.611 1.697 4.330 305 H ILE 44 H ILE 44 -7.732 7.508 5.570 306 HA ILE 44 HA ILE 44 -8.796 9.193 7.670 307 HB ILE 44 HB ILE 44 -8.129 9.897 4.662 308 HG12 ILE 44 HG12 ILE 44 -6.431 11.576 5.589 309 HG13 ILE 44 HG13 ILE 44 -6.689 10.842 7.181 310 HG21 ILE 44 HG21 ILE 44 -9.932 11.411 5.201 311 HG22 ILE 44 HG22 ILE 44 -8.398 12.292 5.010 312 HG23 ILE 44 HG23 ILE 44 -9.043 11.974 6.637 313 HD11 ILE 44 HD11 ILE 44 -4.596 10.134 6.106 314 HD12 ILE 44 HD12 ILE 44 -5.597 9.547 4.726 315 HD13 ILE 44 HD13 ILE 44 -5.785 8.817 6.314 316 HA PRO 45 HA PRO 45 -13.351 8.091 7.205 317 HB2 PRO 45 HB2 PRO 45 -14.031 10.687 8.557 318 HB3 PRO 45 HB3 PRO 45 -14.442 9.041 9.038 319 HG2 PRO 45 HG2 PRO 45 -12.598 10.389 10.394 320 HG3 PRO 45 HG3 PRO 45 -12.341 8.673 10.028 321 HD2 PRO 45 HD2 PRO 45 -11.195 11.084 8.604 322 HD3 PRO 45 HD3 PRO 45 -10.340 9.642 9.161 323 H GLY 46 H GLY 46 -12.306 11.221 5.822 324 HA2 GLY 46 HA2 GLY 46 -14.487 11.202 3.811 325 HA3 GLY 46 HA3 GLY 46 -13.978 12.704 4.555 326 H GLY 47 H GLY 47 -11.764 10.013 3.356 327 HA2 GLY 47 HA2 GLY 47 -10.499 11.724 1.329 328 HA3 GLY 47 HA3 GLY 47 -9.910 10.188 1.919 329 H ALA 48 H ALA 48 -9.487 10.235 -0.579 330 HA ALA 48 HA ALA 48 -11.645 9.658 -2.425 331 HB1 ALA 48 HB1 ALA 48 -9.740 11.175 -3.049 332 HB2 ALA 48 HB2 ALA 48 -9.971 9.882 -4.224 333 HB3 ALA 48 HB3 ALA 48 -8.661 9.788 -3.047 334 H ALA 49 H ALA 49 -9.088 7.544 -0.950 335 HA ALA 49 HA ALA 49 -9.661 5.151 -2.504 336 HB1 ALA 49 HB1 ALA 49 -7.942 4.056 -1.214 337 HB2 ALA 49 HB2 ALA 49 -7.848 5.431 -0.096 338 HB3 ALA 49 HB3 ALA 49 -7.400 5.619 -1.806 339 H ALA 50 H ALA 50 -10.861 6.370 0.604 340 HA ALA 50 HA ALA 50 -11.982 3.903 1.685 341 HB1 ALA 50 HB1 ALA 50 -12.186 6.735 2.829 342 HB2 ALA 50 HB2 ALA 50 -10.899 5.607 3.206 343 HB3 ALA 50 HB3 ALA 50 -12.553 5.241 3.691 344 H GLN 51 H GLN 51 -13.434 7.073 0.384 345 HA GLN 51 HA GLN 51 -16.176 6.132 0.395 346 HB2 GLN 51 HB2 GLN 51 -14.922 8.808 -0.327 347 HB3 GLN 51 HB3 GLN 51 -16.643 8.527 -0.470 348 HG2 GLN 51 HG2 GLN 51 -15.314 8.076 2.181 349 HG3 GLN 51 HG3 GLN 51 -15.514 9.720 1.672 350 HE21 GLN 51 HE21 GLN 51 -17.937 6.942 1.411 351 HE22 GLN 51 HE22 GLN 51 -19.110 7.621 2.482 352 H ASP 52 H ASP 52 -13.830 7.238 -2.333 353 HA ASP 52 HA ASP 52 -15.718 6.565 -4.413 354 HB2 ASP 52 HB2 ASP 52 -13.248 8.256 -4.299 355 HB3 ASP 52 HB3 ASP 52 -13.731 7.652 -5.853 356 H GLY 53 H GLY 53 -12.592 5.053 -3.233 357 HA2 GLY 53 HA2 GLY 53 -12.106 3.583 -5.749 358 HA3 GLY 53 HA3 GLY 53 -11.069 3.599 -4.349 359 H ARG 54 H ARG 54 -11.855 2.203 -2.391 360 HA ARG 54 HA ARG 54 -13.762 0.334 -1.908 361 HB2 ARG 54 HB2 ARG 54 -11.885 -1.024 -3.896 362 HB3 ARG 54 HB3 ARG 54 -12.410 -2.009 -2.544 363 HG2 ARG 54 HG2 ARG 54 -14.769 -1.678 -3.276 364 HG3 ARG 54 HG3 ARG 54 -14.190 -0.719 -4.641 365 HD2 ARG 54 HD2 ARG 54 -12.941 -2.673 -5.468 366 HD3 ARG 54 HD3 ARG 54 -13.539 -3.624 -4.110 367 HE ARG 54 HE ARG 54 -15.761 -2.561 -5.479 368 HH11 ARG 54 HH11 ARG 54 -13.407 -5.224 -6.300 369 HH12 ARG 54 HH12 ARG 54 -14.541 -6.014 -7.344 370 HH21 ARG 54 HH21 ARG 54 -17.129 -3.695 -6.862 371 HH22 ARG 54 HH22 ARG 54 -16.620 -5.151 -7.652 372 H LEU 55 H LEU 55 -10.401 1.354 -1.271 373 HA LEU 55 HA LEU 55 -9.332 -0.919 0.027 374 HB2 LEU 55 HB2 LEU 55 -8.046 0.532 -1.383 375 HB3 LEU 55 HB3 LEU 55 -8.330 1.929 -0.383 376 HG LEU 55 HG LEU 55 -6.804 0.282 1.293 377 HD11 LEU 55 HD11 LEU 55 -5.762 -0.123 -1.496 378 HD12 LEU 55 HD12 LEU 55 -6.377 -1.384 -0.419 379 HD13 LEU 55 HD13 LEU 55 -4.906 -0.494 -0.005 380 HD21 LEU 55 HD21 LEU 55 -6.622 2.621 0.848 381 HD22 LEU 55 HD22 LEU 55 -5.943 2.283 -0.729 382 HD23 LEU 55 HD23 LEU 55 -5.026 1.864 0.744 383 H ARG 56 H ARG 56 -9.253 -1.642 1.910 384 HA ARG 56 HA ARG 56 -9.695 -0.172 4.446 385 HB2 ARG 56 HB2 ARG 56 -10.283 -3.152 3.785 386 HB3 ARG 56 HB3 ARG 56 -10.168 -2.615 5.433 387 HG2 ARG 56 HG2 ARG 56 -12.129 -1.207 5.077 388 HG3 ARG 56 HG3 ARG 56 -12.214 -1.788 3.399 389 HD2 ARG 56 HD2 ARG 56 -12.254 -4.039 4.170 390 HD3 ARG 56 HD3 ARG 56 -12.136 -3.472 5.829 391 HE ARG 56 HE ARG 56 -14.448 -2.305 4.625 392 HH11 ARG 56 HH11 ARG 56 -13.781 -5.643 5.940 393 HH12 ARG 56 HH12 ARG 56 -15.464 -5.970 6.184 394 HH21 ARG 56 HH21 ARG 56 -16.598 -2.871 4.995 395 HH22 ARG 56 HH22 ARG 56 -17.030 -4.414 5.654 396 H VAL 57 H VAL 57 -8.336 -0.831 6.362 397 HA VAL 57 HA VAL 57 -5.474 -0.958 6.109 398 HB VAL 57 HB VAL 57 -5.347 -1.605 8.680 399 HG11 VAL 57 HG11 VAL 57 -6.666 0.936 7.877 400 HG12 VAL 57 HG12 VAL 57 -4.949 0.561 7.935 401 HG13 VAL 57 HG13 VAL 57 -5.882 0.634 9.443 402 HG21 VAL 57 HG21 VAL 57 -7.304 -1.236 10.082 403 HG22 VAL 57 HG22 VAL 57 -7.670 -2.502 8.827 404 HG23 VAL 57 HG23 VAL 57 -8.232 -0.816 8.607 405 H ASN 58 H ASN 58 -7.582 -3.558 6.183 406 HA ASN 58 HA ASN 58 -5.768 -5.694 6.791 407 HB2 ASN 58 HB2 ASN 58 -8.124 -5.334 7.748 408 HB3 ASN 58 HB3 ASN 58 -8.783 -5.837 6.214 409 HD21 ASN 58 HD21 ASN 58 -8.758 -8.089 5.666 410 HD22 ASN 58 HD22 ASN 58 -8.423 -9.330 6.822 411 H ASP 59 H ASP 59 -6.130 -3.899 3.832 412 HA ASP 59 HA ASP 59 -6.320 -6.112 1.947 413 HB2 ASP 59 HB2 ASP 59 -6.312 -3.123 1.571 414 HB3 ASP 59 HB3 ASP 59 -5.886 -4.145 0.200 415 H SER 60 H SER 60 -3.609 -3.961 3.060 416 HA SER 60 HA SER 60 -1.376 -3.712 2.640 417 HB2 SER 60 HB2 SER 60 -1.432 -5.578 4.351 418 HB3 SER 60 HB3 SER 60 -1.368 -6.760 3.053 419 HG SER 60 HG SER 60 0.670 -5.787 4.346 420 H ILE 61 H ILE 61 -0.016 -3.064 1.071 421 HA ILE 61 HA ILE 61 -0.293 -4.140 -1.662 422 HB ILE 61 HB ILE 61 1.514 -1.628 -1.079 423 HG12 ILE 61 HG12 ILE 61 -1.376 -1.155 -2.048 424 HG13 ILE 61 HG13 ILE 61 -1.117 -1.401 -0.335 425 HG21 ILE 61 HG21 ILE 61 1.784 -2.567 -3.389 426 HG22 ILE 61 HG22 ILE 61 1.077 -0.959 -3.494 427 HG23 ILE 61 HG23 ILE 61 0.055 -2.381 -3.691 428 HD11 ILE 61 HD11 ILE 61 0.028 0.863 -2.008 429 HD12 ILE 61 HD12 ILE 61 0.308 0.662 -0.280 430 HD13 ILE 61 HD13 ILE 61 -1.323 1.009 -0.877 431 H LEU 62 H LEU 62 1.023 -5.560 -2.735 432 HA LEU 62 HA LEU 62 3.820 -6.032 -1.881 433 HB2 LEU 62 HB2 LEU 62 3.822 -8.050 -3.302 434 HB3 LEU 62 HB3 LEU 62 2.557 -8.163 -2.069 435 HG LEU 62 HG LEU 62 1.825 -7.539 -4.953 436 HD11 LEU 62 HD11 LEU 62 2.212 -10.210 -3.673 437 HD12 LEU 62 HD12 LEU 62 3.164 -9.500 -5.000 438 HD13 LEU 62 HD13 LEU 62 1.448 -9.904 -5.240 439 HD21 LEU 62 HD21 LEU 62 0.358 -8.973 -2.731 440 HD22 LEU 62 HD22 LEU 62 -0.272 -8.624 -4.341 441 HD23 LEU 62 HD23 LEU 62 0.073 -7.304 -3.225 442 H PHE 63 H PHE 63 2.035 -4.879 -4.731 443 HA PHE 63 HA PHE 63 4.602 -3.894 -5.893 444 HB2 PHE 63 HB2 PHE 63 2.594 -5.591 -7.459 445 HB3 PHE 63 HB3 PHE 63 3.712 -4.546 -8.327 446 HD1 PHE 63 HD1 PHE 63 3.507 -7.527 -6.078 447 HD2 PHE 63 HD2 PHE 63 5.990 -5.262 -8.628 448 HE1 PHE 63 HE1 PHE 63 5.085 -9.347 -6.038 449 HE2 PHE 63 HE2 PHE 63 7.667 -6.982 -8.605 450 HZ PHE 63 HZ PHE 63 7.259 -9.134 -7.323 451 H VAL 64 H VAL 64 4.677 -1.778 -6.608 452 HA VAL 64 HA VAL 64 2.074 -0.425 -7.183 453 HB VAL 64 HB VAL 64 3.512 0.021 -5.043 454 HG11 VAL 64 HG11 VAL 64 4.171 2.182 -4.327 455 HG12 VAL 64 HG12 VAL 64 4.760 2.229 -5.999 456 HG13 VAL 64 HG13 VAL 64 5.184 0.872 -4.948 457 HG21 VAL 64 HG21 VAL 64 1.259 1.706 -5.857 458 HG22 VAL 64 HG22 VAL 64 1.976 1.858 -4.227 459 HG23 VAL 64 HG23 VAL 64 1.352 0.293 -4.801 460 H ASN 65 H ASN 65 1.765 0.838 -8.915 461 HA ASN 65 HA ASN 65 1.908 1.585 -10.952 462 HB2 ASN 65 HB2 ASN 65 5.065 1.775 -10.793 463 HB3 ASN 65 HB3 ASN 65 4.305 2.096 -12.283 464 HD21 ASN 65 HD21 ASN 65 4.840 3.294 -9.111 465 HD22 ASN 65 HD22 ASN 65 4.257 4.898 -9.376 466 H GLU 66 H GLU 66 2.660 -1.472 -10.213 467 HA GLU 66 HA GLU 66 3.104 -3.558 -10.821 468 HB2 GLU 66 HB2 GLU 66 2.009 -3.096 -13.268 469 HB3 GLU 66 HB3 GLU 66 3.624 -2.823 -13.854 470 HG2 GLU 66 HG2 GLU 66 2.979 -5.000 -14.645 471 HG3 GLU 66 HG3 GLU 66 4.099 -5.307 -13.336 472 H VAL 67 H VAL 67 4.934 -1.616 -9.778 473 HA VAL 67 HA VAL 67 7.706 -2.349 -10.409 474 HB VAL 67 HB VAL 67 6.338 0.085 -9.276 475 HG11 VAL 67 HG11 VAL 67 9.148 -0.096 -8.205 476 HG12 VAL 67 HG12 VAL 67 7.585 0.034 -7.382 477 HG13 VAL 67 HG13 VAL 67 8.132 1.388 -8.389 478 HG21 VAL 67 HG21 VAL 67 6.787 0.737 -11.184 479 HG22 VAL 67 HG22 VAL 67 8.147 -0.461 -11.328 480 HG23 VAL 67 HG23 VAL 67 8.445 1.137 -10.574 481 H ASP 68 H ASP 68 9.193 -3.003 -8.889 482 HA ASP 68 HA ASP 68 8.080 -4.556 -6.895 483 HB2 ASP 68 HB2 ASP 68 10.378 -5.868 -6.654 484 HB3 ASP 68 HB3 ASP 68 9.510 -6.037 -8.159 485 H VAL 69 H VAL 69 7.541 -3.652 -5.090 486 HA VAL 69 HA VAL 69 9.447 -2.103 -3.530 487 HB VAL 69 HB VAL 69 7.693 -1.230 -1.993 488 HG11 VAL 69 HG11 VAL 69 6.528 0.271 -3.331 489 HG12 VAL 69 HG12 VAL 69 7.222 -0.537 -4.792 490 HG13 VAL 69 HG13 VAL 69 8.274 0.184 -3.547 491 HG21 VAL 69 HG21 VAL 69 5.177 -1.300 -2.761 492 HG22 VAL 69 HG22 VAL 69 5.917 -2.491 -1.729 493 HG23 VAL 69 HG23 VAL 69 5.649 -2.893 -3.461 494 H ARG 70 H ARG 70 8.751 -5.211 -3.513 495 HA ARG 70 HA ARG 70 8.582 -6.345 -0.939 496 HB2 ARG 70 HB2 ARG 70 9.952 -7.448 -3.408 497 HB3 ARG 70 HB3 ARG 70 10.025 -8.348 -1.913 498 HG2 ARG 70 HG2 ARG 70 7.534 -8.473 -1.909 499 HG3 ARG 70 HG3 ARG 70 7.516 -7.613 -3.451 500 HD2 ARG 70 HD2 ARG 70 8.789 -9.424 -4.490 501 HD3 ARG 70 HD3 ARG 70 8.869 -10.271 -2.946 502 HE ARG 70 HE ARG 70 6.155 -9.793 -3.631 503 HH11 ARG 70 HH11 ARG 70 8.657 -12.207 -4.736 504 HH12 ARG 70 HH12 ARG 70 7.451 -13.343 -5.242 505 HH21 ARG 70 HH21 ARG 70 4.702 -11.366 -4.332 506 HH22 ARG 70 HH22 ARG 70 5.244 -12.863 -5.013 507 H GLU 71 H GLU 71 11.612 -4.692 -2.031 508 HA GLU 71 HA GLU 71 12.854 -4.700 0.465 509 HB2 GLU 71 HB2 GLU 71 14.058 -6.257 -1.805 510 HB3 GLU 71 HB3 GLU 71 15.149 -5.253 -0.881 511 HG2 GLU 71 HG2 GLU 71 14.537 -6.612 1.182 512 HG3 GLU 71 HG3 GLU 71 13.461 -7.584 0.193 513 H VAL 72 H VAL 72 12.134 -2.567 0.289 514 HA VAL 72 HA VAL 72 13.975 -0.658 -0.905 515 HB VAL 72 HB VAL 72 12.418 0.877 -1.981 516 HG11 VAL 72 HG11 VAL 72 12.999 -0.608 -3.572 517 HG12 VAL 72 HG12 VAL 72 11.338 -0.082 -3.876 518 HG13 VAL 72 HG13 VAL 72 11.639 -1.682 -3.195 519 HG21 VAL 72 HG21 VAL 72 10.422 0.975 -0.586 520 HG22 VAL 72 HG22 VAL 72 9.886 -0.625 -1.112 521 HG23 VAL 72 HG23 VAL 72 9.885 0.738 -2.248 522 H THR 73 H THR 73 13.868 1.587 0.060 523 HA THR 73 HA THR 73 13.097 1.825 2.893 524 HB THR 73 HB THR 73 13.703 4.404 2.445 525 HG1 THR 73 HG1 THR 73 15.042 3.278 0.231 526 HG21 THR 73 HG21 THR 73 15.052 3.055 3.890 527 HG22 THR 73 HG22 THR 73 16.070 4.052 2.866 528 HG23 THR 73 HG23 THR 73 15.885 2.325 2.508 529 H HIS 74 H HIS 74 11.693 3.730 3.786 530 HA HIS 74 HA HIS 74 9.034 3.773 2.746 531 HB2 HIS 74 HB2 HIS 74 8.255 5.429 4.458 532 HB3 HIS 74 HB3 HIS 74 9.362 4.282 5.169 533 HD1 HIS 74 HD1 HIS 74 11.163 5.346 6.706 534 HD2 HIS 74 HD2 HIS 74 9.391 8.202 4.243 535 HE1 HIS 74 HE1 HIS 74 11.892 7.616 7.615 536 HE2 HIS 74 HE2 HIS 74 10.861 9.291 6.066 537 H SER 75 H SER 75 11.289 6.440 2.395 538 HA SER 75 HA SER 75 9.844 8.264 0.686 539 HB2 SER 75 HB2 SER 75 12.882 7.991 0.975 540 HB3 SER 75 HB3 SER 75 12.116 9.299 0.079 541 HG SER 75 HG SER 75 12.053 8.767 2.855 542 H ALA 76 H ALA 76 11.821 5.435 -0.276 543 HA ALA 76 HA ALA 76 11.840 5.618 -3.141 544 HB1 ALA 76 HB1 ALA 76 13.527 4.366 -1.846 545 HB2 ALA 76 HB2 ALA 76 12.727 3.290 -3.012 546 HB3 ALA 76 HB3 ALA 76 12.263 3.270 -1.302 547 H ALA 77 H ALA 77 9.335 4.366 -0.835 548 HA ALA 77 HA ALA 77 7.642 3.042 -2.851 549 HB1 ALA 77 HB1 ALA 77 7.197 3.418 0.124 550 HB2 ALA 77 HB2 ALA 77 7.924 1.973 -0.583 551 HB3 ALA 77 HB3 ALA 77 6.226 2.372 -0.915 552 H VAL 78 H VAL 78 7.652 6.059 -0.880 553 HA VAL 78 HA VAL 78 5.060 7.153 -1.647 554 HB VAL 78 HB VAL 78 7.450 8.679 -0.280 555 HG11 VAL 78 HG11 VAL 78 4.553 9.557 -0.157 556 HG12 VAL 78 HG12 VAL 78 5.771 10.354 -1.177 557 HG13 VAL 78 HG13 VAL 78 5.922 10.390 0.596 558 HG21 VAL 78 HG21 VAL 78 4.971 7.583 0.940 559 HG22 VAL 78 HG22 VAL 78 6.252 8.442 1.826 560 HG23 VAL 78 HG23 VAL 78 6.581 6.861 1.071 561 H GLU 79 H GLU 79 8.337 7.749 -3.021 562 HA GLU 79 HA GLU 79 7.805 9.761 -5.005 563 HB2 GLU 79 HB2 GLU 79 10.011 7.765 -4.739 564 HB3 GLU 79 HB3 GLU 79 10.024 8.850 -6.117 565 HG2 GLU 79 HG2 GLU 79 9.967 10.788 -4.469 566 HG3 GLU 79 HG3 GLU 79 10.141 9.561 -3.216 567 H ALA 80 H ALA 80 7.164 6.375 -5.179 568 HA ALA 80 HA ALA 80 6.464 6.187 -7.994 569 HB1 ALA 80 HB1 ALA 80 5.779 4.243 -5.727 570 HB2 ALA 80 HB2 ALA 80 7.242 4.177 -6.683 571 HB3 ALA 80 HB3 ALA 80 5.685 3.876 -7.437 572 H LEU 81 H LEU 81 4.612 7.153 -4.948 573 HA LEU 81 HA LEU 81 2.015 7.186 -6.280 574 HB2 LEU 81 HB2 LEU 81 2.683 7.579 -3.319 575 HB3 LEU 81 HB3 LEU 81 1.056 7.612 -3.954 576 HG LEU 81 HG LEU 81 2.546 5.163 -4.563 577 HD11 LEU 81 HD11 LEU 81 1.948 5.761 -1.716 578 HD12 LEU 81 HD12 LEU 81 3.516 5.562 -2.519 579 HD13 LEU 81 HD13 LEU 81 2.420 4.180 -2.374 580 HD21 LEU 81 HD21 LEU 81 -0.158 5.574 -3.280 581 HD22 LEU 81 HD22 LEU 81 0.508 4.021 -3.859 582 HD23 LEU 81 HD23 LEU 81 0.196 5.338 -5.000 583 H LYS 82 H LYS 82 4.297 9.579 -5.094 584 HA LYS 82 HA LYS 82 2.626 11.923 -5.592 585 HB2 LYS 82 HB2 LYS 82 5.310 11.505 -4.320 586 HB3 LYS 82 HB3 LYS 82 5.044 13.090 -4.975 587 HG2 LYS 82 HG2 LYS 82 2.984 13.228 -3.446 588 HG3 LYS 82 HG3 LYS 82 3.529 11.716 -2.714 589 HD2 LYS 82 HD2 LYS 82 5.602 12.737 -1.977 590 HD3 LYS 82 HD3 LYS 82 5.282 14.197 -2.897 591 HE2 LYS 82 HE2 LYS 82 4.851 14.812 -0.658 592 HE3 LYS 82 HE3 LYS 82 3.254 14.519 -1.321 593 HZ1 LYS 82 HZ1 LYS 82 4.800 12.637 0.405 594 HZ2 LYS 82 HZ2 LYS 82 3.257 12.339 -0.217 595 HZ3 LYS 82 HZ3 LYS 82 3.486 13.584 0.903 596 H GLU 83 H GLU 83 5.467 10.395 -7.196 597 HA GLU 83 HA GLU 83 5.647 12.492 -9.271 598 HB2 GLU 83 HB2 GLU 83 7.421 10.332 -8.551 599 HB3 GLU 83 HB3 GLU 83 7.759 11.151 -10.078 600 HG2 GLU 83 HG2 GLU 83 7.562 13.234 -8.849 601 HG3 GLU 83 HG3 GLU 83 7.611 12.328 -7.353 602 H ALA 84 H ALA 84 4.013 9.546 -9.394 603 HA ALA 84 HA ALA 84 4.337 8.717 -12.154 604 HB1 ALA 84 HB1 ALA 84 1.750 8.239 -10.623 605 HB2 ALA 84 HB2 ALA 84 3.207 7.272 -10.421 606 HB3 ALA 84 HB3 ALA 84 2.372 7.298 -11.970 607 H GLY 85 H GLY 85 2.356 11.329 -10.999 608 HA2 GLY 85 HA2 GLY 85 2.525 13.402 -12.507 609 HA3 GLY 85 HA3 GLY 85 2.024 12.249 -13.735 610 H SER 86 H SER 86 -0.195 11.085 -12.454 611 HA SER 86 HA SER 86 -2.394 12.828 -11.858 612 HB2 SER 86 HB2 SER 86 -1.874 12.087 -14.628 613 HB3 SER 86 HB3 SER 86 -3.616 12.292 -14.254 614 HG SER 86 HG SER 86 -1.514 14.248 -13.959 615 H ILE 87 H ILE 87 -1.257 9.682 -13.153 616 HA ILE 87 HA ILE 87 -3.503 8.197 -11.942 617 HB ILE 87 HB ILE 87 -2.247 7.261 -14.627 618 HG12 ILE 87 HG12 ILE 87 -3.572 9.245 -15.233 619 HG13 ILE 87 HG13 ILE 87 -4.342 7.868 -15.998 620 HG21 ILE 87 HG21 ILE 87 -4.658 5.933 -13.396 621 HG22 ILE 87 HG22 ILE 87 -3.025 5.315 -13.483 622 HG23 ILE 87 HG23 ILE 87 -3.969 5.497 -14.988 623 HD11 ILE 87 HD11 ILE 87 -6.221 8.113 -14.309 624 HD12 ILE 87 HD12 ILE 87 -6.009 9.620 -15.207 625 HD13 ILE 87 HD13 ILE 87 -5.376 9.451 -13.569 626 H VAL 88 H VAL 88 -3.073 6.841 -10.610 627 HA VAL 88 HA VAL 88 -0.551 5.367 -10.391 628 HB VAL 88 HB VAL 88 -0.532 5.327 -7.865 629 HG11 VAL 88 HG11 VAL 88 1.075 6.810 -8.851 630 HG12 VAL 88 HG12 VAL 88 0.457 7.616 -7.428 631 HG13 VAL 88 HG13 VAL 88 -0.102 8.088 -9.021 632 HG21 VAL 88 HG21 VAL 88 -1.614 7.121 -6.445 633 HG22 VAL 88 HG22 VAL 88 -2.791 6.020 -7.169 634 HG23 VAL 88 HG23 VAL 88 -2.551 7.631 -7.860 635 H ARG 89 H ARG 89 -0.487 3.298 -10.307 636 HA ARG 89 HA ARG 89 -2.902 1.731 -9.719 637 HB2 ARG 89 HB2 ARG 89 -2.259 -0.080 -11.602 638 HB3 ARG 89 HB3 ARG 89 -2.814 1.454 -12.180 639 HG2 ARG 89 HG2 ARG 89 -0.529 2.008 -12.831 640 HG3 ARG 89 HG3 ARG 89 0.041 0.479 -12.131 641 HD2 ARG 89 HD2 ARG 89 -1.525 -0.702 -13.510 642 HD3 ARG 89 HD3 ARG 89 -2.014 0.806 -14.267 643 HE ARG 89 HE ARG 89 0.776 0.643 -14.595 644 HH11 ARG 89 HH11 ARG 89 -1.878 -1.324 -16.139 645 HH12 ARG 89 HH12 ARG 89 -0.908 -1.690 -17.526 646 HH21 ARG 89 HH21 ARG 89 1.917 0.088 -16.452 647 HH22 ARG 89 HH22 ARG 89 1.213 -0.897 -17.691 648 H LEU 90 H LEU 90 -2.857 0.910 -7.821 649 HA LEU 90 HA LEU 90 -0.552 -0.458 -6.690 650 HB2 LEU 90 HB2 LEU 90 -1.848 -0.322 -4.433 651 HB3 LEU 90 HB3 LEU 90 -1.409 1.248 -5.097 652 HG LEU 90 HG LEU 90 -3.445 1.554 -3.997 653 HD11 LEU 90 HD11 LEU 90 -4.519 1.197 -6.602 654 HD12 LEU 90 HD12 LEU 90 -3.878 2.648 -5.773 655 HD13 LEU 90 HD13 LEU 90 -5.327 1.830 -5.158 656 HD21 LEU 90 HD21 LEU 90 -5.187 0.049 -3.642 657 HD22 LEU 90 HD22 LEU 90 -3.580 -0.744 -3.445 658 HD23 LEU 90 HD23 LEU 90 -4.528 -1.036 -4.893 659 H TYR 91 H TYR 91 -0.362 -2.523 -6.015 660 HA TYR 91 HA TYR 91 -2.486 -4.503 -6.581 661 HB2 TYR 91 HB2 TYR 91 -0.315 -4.529 -8.197 662 HB3 TYR 91 HB3 TYR 91 0.486 -5.152 -6.836 663 HD1 TYR 91 HD1 TYR 91 -2.803 -6.272 -8.428 664 HD2 TYR 91 HD2 TYR 91 1.103 -7.341 -7.125 665 HE1 TYR 91 HE1 TYR 91 -3.314 -8.466 -8.972 666 HE2 TYR 91 HE2 TYR 91 0.698 -9.626 -7.675 667 HH TYR 91 HH TYR 91 -1.276 -11.170 -8.048 668 H VAL 92 H VAL 92 -3.353 -5.282 -4.974 669 HA VAL 92 HA VAL 92 -1.998 -5.672 -2.361 670 HB VAL 92 HB VAL 92 -4.171 -5.370 -1.128 671 HG11 VAL 92 HG11 VAL 92 -3.744 -3.021 -2.940 672 HG12 VAL 92 HG12 VAL 92 -2.955 -3.350 -1.402 673 HG13 VAL 92 HG13 VAL 92 -4.683 -3.015 -1.455 674 HG21 VAL 92 HG21 VAL 92 -5.540 -4.938 -3.815 675 HG22 VAL 92 HG22 VAL 92 -6.352 -4.712 -2.218 676 HG23 VAL 92 HG23 VAL 92 -5.667 -6.293 -2.717 677 H MET 93 H MET 93 -2.869 -7.251 -0.772 678 HA MET 93 HA MET 93 -3.457 -10.041 -1.752 679 HB2 MET 93 HB2 MET 93 -1.604 -11.142 -0.324 680 HB3 MET 93 HB3 MET 93 -0.949 -10.090 -1.551 681 HG2 MET 93 HG2 MET 93 0.458 -9.860 0.375 682 HG3 MET 93 HG3 MET 93 -0.453 -8.374 0.248 683 HE1 MET 93 HE1 MET 93 -1.013 -12.004 2.099 684 HE2 MET 93 HE2 MET 93 -0.728 -11.477 3.756 685 HE3 MET 93 HE3 MET 93 0.577 -11.403 2.573 686 H ARG 94 H ARG 94 -5.118 -11.064 -1.061 687 HA ARG 94 HA ARG 94 -6.135 -10.794 1.673 688 HB2 ARG 94 HB2 ARG 94 -7.723 -10.612 -0.957 689 HB3 ARG 94 HB3 ARG 94 -8.519 -11.234 0.469 690 HG2 ARG 94 HG2 ARG 94 -8.062 -9.038 1.595 691 HG3 ARG 94 HG3 ARG 94 -7.406 -8.446 0.064 692 HD2 ARG 94 HD2 ARG 94 -9.541 -8.820 -1.035 693 HD3 ARG 94 HD3 ARG 94 -10.204 -9.529 0.436 694 HE ARG 94 HE ARG 94 -9.270 -6.833 0.834 695 HH11 ARG 94 HH11 ARG 94 -12.356 -8.452 -0.246 696 HH12 ARG 94 HH12 ARG 94 -13.313 -7.058 0.129 697 HH21 ARG 94 HH21 ARG 94 -10.644 -5.096 1.274 698 HH22 ARG 94 HH22 ARG 94 -12.348 -5.191 0.978 699 H ARG 95 H ARG 95 -7.604 -12.617 2.312 700 HA ARG 95 HA ARG 95 -6.613 -15.332 1.691 701 HB2 ARG 95 HB2 ARG 95 -6.960 -14.277 4.145 702 HB3 ARG 95 HB3 ARG 95 -8.636 -14.719 3.921 703 HG2 ARG 95 HG2 ARG 95 -7.945 -17.120 3.745 704 HG3 ARG 95 HG3 ARG 95 -6.273 -16.633 4.026 705 HD2 ARG 95 HD2 ARG 95 -6.942 -15.696 6.204 706 HD3 ARG 95 HD3 ARG 95 -8.596 -16.239 5.898 707 HE ARG 95 HE ARG 95 -6.945 -18.488 5.667 708 HH11 ARG 95 HH11 ARG 95 -7.888 -16.504 8.578 709 HH12 ARG 95 HH12 ARG 95 -7.636 -17.831 9.663 710 HH21 ARG 95 HH21 ARG 95 -6.658 -20.118 7.191 711 HH22 ARG 95 HH22 ARG 95 -6.948 -19.847 8.877 712 H LYS 96 H LYS 96 -7.963 -17.123 1.110 713 HA LYS 96 HA LYS 96 -9.796 -16.768 -0.988 714 HB2 LYS 96 HB2 LYS 96 -10.006 -19.365 -1.076 715 HB3 LYS 96 HB3 LYS 96 -8.400 -18.718 -1.252 716 HG2 LYS 96 HG2 LYS 96 -7.851 -19.404 1.047 717 HG3 LYS 96 HG3 LYS 96 -9.496 -19.999 1.308 718 HD2 LYS 96 HD2 LYS 96 -9.123 -21.673 -0.505 719 HD3 LYS 96 HD3 LYS 96 -7.489 -21.063 -0.716 720 HE2 LYS 96 HE2 LYS 96 -7.243 -23.052 0.563 721 HE3 LYS 96 HE3 LYS 96 -7.071 -21.747 1.723 722 HZ1 LYS 96 HZ1 LYS 96 -9.525 -23.410 1.320 723 HZ2 LYS 96 HZ2 LYS 96 -9.381 -22.155 2.443 724 HZ3 LYS 96 HZ3 LYS 96 -8.438 -23.547 2.613 725 HA PRO 97 HA PRO 97 -14.152 -16.759 0.864 726 HB2 PRO 97 HB2 PRO 97 -15.263 -16.038 -1.776 727 HB3 PRO 97 HB3 PRO 97 -15.194 -15.061 -0.313 728 HG2 PRO 97 HG2 PRO 97 -13.735 -14.472 -2.529 729 HG3 PRO 97 HG3 PRO 97 -13.157 -14.109 -0.893 730 HD2 PRO 97 HD2 PRO 97 -12.453 -16.432 -2.679 731 HD3 PRO 97 HD3 PRO 97 -11.371 -15.381 -1.735 732 HA PRO 98 HA PRO 98 -16.184 -20.923 -0.446 733 HB2 PRO 98 HB2 PRO 98 -18.808 -20.054 0.701 734 HB3 PRO 98 HB3 PRO 98 -17.791 -21.417 1.169 735 HG2 PRO 98 HG2 PRO 98 -18.019 -19.286 2.765 736 HG3 PRO 98 HG3 PRO 98 -16.457 -20.103 2.571 737 HD2 PRO 98 HD2 PRO 98 -17.445 -17.583 1.245 738 HD3 PRO 98 HD3 PRO 98 -15.894 -17.871 2.069 739 H ALA 99 H ALA 99 -17.217 -21.895 -2.212 740 HA ALA 99 HA ALA 99 -18.840 -20.286 -4.074 741 HB1 ALA 99 HB1 ALA 99 -17.970 -21.611 -5.975 742 HB2 ALA 99 HB2 ALA 99 -17.110 -22.684 -4.873 743 HB3 ALA 99 HB3 ALA 99 -16.612 -21.000 -5.026 744 H1 VAL 1 H1 VAL 1 9.207 -3.916 20.673 745 H2 VAL 1 H2 VAL 1 7.590 -4.398 20.542 746 H3 VAL 1 H3 VAL 1 8.007 -3.123 21.568 747 HA VAL 1 HA VAL 1 8.554 -3.055 18.693 748 HB VAL 1 HB VAL 1 6.534 -1.488 18.292 749 HG11 VAL 1 HG11 VAL 1 5.895 -4.387 18.759 750 HG12 VAL 1 HG12 VAL 1 6.537 -3.652 17.297 751 HG13 VAL 1 HG13 VAL 1 4.903 -3.266 17.824 752 HG21 VAL 1 HG21 VAL 1 5.722 -1.022 20.617 753 HG22 VAL 1 HG22 VAL 1 5.338 -2.728 20.841 754 HG23 VAL 1 HG23 VAL 1 4.436 -1.773 19.667 755 H VAL 2 H VAL 2 9.686 -1.805 17.766 756 HA VAL 2 HA VAL 2 10.878 0.439 19.179 757 HB VAL 2 HB VAL 2 12.342 -1.360 18.061 758 HG11 VAL 2 HG11 VAL 2 13.100 -1.323 15.721 759 HG12 VAL 2 HG12 VAL 2 11.737 -0.276 15.347 760 HG13 VAL 2 HG13 VAL 2 11.451 -1.886 15.969 761 HG21 VAL 2 HG21 VAL 2 13.553 0.594 18.776 762 HG22 VAL 2 HG22 VAL 2 13.151 1.459 17.293 763 HG23 VAL 2 HG23 VAL 2 14.238 0.071 17.234 764 H SER 3 H SER 3 9.103 0.092 15.994 765 HA SER 3 HA SER 3 7.963 1.188 14.740 766 HB2 SER 3 HB2 SER 3 6.799 2.480 17.275 767 HB3 SER 3 HB3 SER 3 6.036 2.678 15.702 768 HG SER 3 HG SER 3 5.097 0.850 16.161 769 H GLU 4 H GLU 4 7.357 2.689 13.403 770 HA GLU 4 HA GLU 4 9.049 4.776 12.454 771 HB2 GLU 4 HB2 GLU 4 6.948 4.873 10.641 772 HB3 GLU 4 HB3 GLU 4 8.147 3.617 10.607 773 HG2 GLU 4 HG2 GLU 4 5.794 3.177 10.133 774 HG3 GLU 4 HG3 GLU 4 6.630 2.017 11.358 775 H ARG 5 H ARG 5 8.170 6.944 11.556 776 HA ARG 5 HA ARG 5 6.781 8.718 13.403 777 HB2 ARG 5 HB2 ARG 5 7.984 9.201 10.610 778 HB3 ARG 5 HB3 ARG 5 7.176 10.470 11.498 779 HG2 ARG 5 HG2 ARG 5 8.931 10.504 13.165 780 HG3 ARG 5 HG3 ARG 5 9.661 9.041 12.498 781 HD2 ARG 5 HD2 ARG 5 10.183 10.237 10.429 782 HD3 ARG 5 HD3 ARG 5 9.430 11.705 11.066 783 HE ARG 5 HE ARG 5 11.388 10.971 12.905 784 HH11 ARG 5 HH11 ARG 5 11.729 12.103 9.453 785 HH12 ARG 5 HH12 ARG 5 13.318 12.733 9.734 786 HH21 ARG 5 HH21 ARG 5 13.457 11.833 13.120 787 HH22 ARG 5 HH22 ARG 5 14.275 12.579 11.789 788 H ILE 6 H ILE 6 5.842 6.953 10.413 789 HA ILE 6 HA ILE 6 4.286 6.949 8.903 790 HB ILE 6 HB ILE 6 3.497 5.205 10.539 791 HG12 ILE 6 HG12 ILE 6 1.409 4.458 9.901 792 HG13 ILE 6 HG13 ILE 6 0.726 6.023 9.353 793 HG21 ILE 6 HG21 ILE 6 2.942 6.311 12.492 794 HG22 ILE 6 HG22 ILE 6 1.548 5.340 11.988 795 HG23 ILE 6 HG23 ILE 6 1.534 7.088 11.738 796 HD11 ILE 6 HD11 ILE 6 1.016 4.576 7.413 797 HD12 ILE 6 HD12 ILE 6 2.442 3.859 8.053 798 HD13 ILE 6 HD13 ILE 6 2.500 5.483 7.399 799 H SER 7 H SER 7 4.734 8.596 8.103 800 HA SER 7 HA SER 7 2.754 10.874 7.807 801 HB2 SER 7 HB2 SER 7 4.700 12.545 7.434 802 HB3 SER 7 HB3 SER 7 4.696 11.819 9.034 803 HG SER 7 HG SER 7 6.676 11.867 7.280 804 H SER 8 H SER 8 3.035 8.459 6.073 805 HA SER 8 HA SER 8 3.973 9.251 3.403 806 HB2 SER 8 HB2 SER 8 3.156 6.458 4.429 807 HB3 SER 8 HB3 SER 8 3.847 6.868 2.876 808 HG SER 8 HG SER 8 5.210 6.298 5.045 809 H VAL 9 H VAL 9 2.556 7.858 1.449 810 HA VAL 9 HA VAL 9 -0.292 8.772 1.494 811 HB VAL 9 HB VAL 9 1.260 8.338 -1.259 812 HG11 VAL 9 HG11 VAL 9 -1.137 8.605 -1.488 813 HG12 VAL 9 HG12 VAL 9 -0.301 9.962 -2.245 814 HG13 VAL 9 HG13 VAL 9 -1.076 10.169 -0.674 815 HG21 VAL 9 HG21 VAL 9 2.623 10.098 -0.158 816 HG22 VAL 9 HG22 VAL 9 1.180 11.075 0.106 817 HG23 VAL 9 HG23 VAL 9 1.742 10.764 -1.536 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -9.446 -32.054 -1.126 2 H2 GLY 1 H2 GLY 1 -9.195 -30.413 -1.450 3 H3 GLY 1 H3 GLY 1 -9.609 -30.910 0.113 4 HA2 GLY 1 HA2 GLY 1 -7.515 -32.114 0.312 5 HA3 GLY 1 HA3 GLY 1 -7.087 -31.585 -1.306 6 H ALA 2 H ALA 2 -6.501 -29.423 -1.727 7 HA ALA 2 HA ALA 2 -5.605 -27.770 0.578 8 HB1 ALA 2 HB1 ALA 2 -3.850 -26.849 -0.886 9 HB2 ALA 2 HB2 ALA 2 -4.464 -27.767 -2.252 10 HB3 ALA 2 HB3 ALA 2 -3.736 -28.618 -0.876 11 H MET 3 H MET 3 -5.970 -25.548 0.785 12 HA MET 3 HA MET 3 -7.766 -24.232 -1.105 13 HB2 MET 3 HB2 MET 3 -8.437 -22.547 0.691 14 HB3 MET 3 HB3 MET 3 -8.819 -24.185 1.125 15 HG2 MET 3 HG2 MET 3 -6.427 -22.674 2.243 16 HG3 MET 3 HG3 MET 3 -8.040 -22.594 2.921 17 HE1 MET 3 HE1 MET 3 -8.863 -24.454 4.796 18 HE2 MET 3 HE2 MET 3 -8.304 -26.126 4.793 19 HE3 MET 3 HE3 MET 3 -9.186 -25.491 3.405 20 H GLU 4 H GLU 4 -7.616 -21.914 -1.683 21 HA GLU 4 HA GLU 4 -4.882 -21.071 -2.121 22 HB2 GLU 4 HB2 GLU 4 -5.243 -20.417 -4.555 23 HB3 GLU 4 HB3 GLU 4 -5.125 -22.120 -4.156 24 HG2 GLU 4 HG2 GLU 4 -7.562 -22.370 -4.476 25 HG3 GLU 4 HG3 GLU 4 -7.715 -20.648 -4.813 26 H MET 5 H MET 5 -4.178 -19.091 -2.412 27 HA MET 5 HA MET 5 -5.713 -16.942 -1.230 28 HB2 MET 5 HB2 MET 5 -3.514 -15.564 -1.199 29 HB3 MET 5 HB3 MET 5 -3.440 -17.069 -0.316 30 HG2 MET 5 HG2 MET 5 -2.388 -18.030 -2.332 31 HG3 MET 5 HG3 MET 5 -2.257 -16.423 -2.992 32 HE1 MET 5 HE1 MET 5 1.515 -17.267 -1.824 33 HE2 MET 5 HE2 MET 5 0.489 -16.867 -3.203 34 HE3 MET 5 HE3 MET 5 0.330 -18.433 -2.409 35 H GLU 6 H GLU 6 -6.115 -14.982 -1.860 36 HA GLU 6 HA GLU 6 -6.564 -14.478 -4.728 37 HB2 GLU 6 HB2 GLU 6 -8.976 -13.510 -4.400 38 HB3 GLU 6 HB3 GLU 6 -8.826 -15.227 -4.157 39 HG2 GLU 6 HG2 GLU 6 -8.990 -14.862 -1.664 40 HG3 GLU 6 HG3 GLU 6 -9.127 -13.133 -1.940 41 H TYR 7 H TYR 7 -5.839 -12.885 -5.701 42 HA TYR 7 HA TYR 7 -4.899 -10.456 -4.291 43 HB2 TYR 7 HB2 TYR 7 -3.959 -11.535 -7.019 44 HB3 TYR 7 HB3 TYR 7 -3.321 -10.130 -6.238 45 HD1 TYR 7 HD1 TYR 7 -3.354 -13.878 -6.009 46 HD2 TYR 7 HD2 TYR 7 -1.576 -10.267 -4.663 47 HE1 TYR 7 HE1 TYR 7 -1.550 -15.181 -5.068 48 HE2 TYR 7 HE2 TYR 7 0.352 -11.546 -3.742 49 HH TYR 7 HH TYR 7 0.863 -14.835 -4.441 50 H GLU 8 H GLU 8 -5.207 -8.378 -4.949 51 HA GLU 8 HA GLU 8 -7.210 -7.752 -7.066 52 HB2 GLU 8 HB2 GLU 8 -7.472 -7.008 -4.213 53 HB3 GLU 8 HB3 GLU 8 -7.742 -5.652 -5.285 54 HG2 GLU 8 HG2 GLU 8 -9.493 -7.038 -6.447 55 HG3 GLU 8 HG3 GLU 8 -9.219 -8.309 -5.264 56 H GLU 9 H GLU 9 -6.859 -6.307 -8.573 57 HA GLU 9 HA GLU 9 -4.756 -4.310 -8.235 58 HB2 GLU 9 HB2 GLU 9 -4.473 -4.201 -10.791 59 HB3 GLU 9 HB3 GLU 9 -4.035 -5.733 -10.055 60 HG2 GLU 9 HG2 GLU 9 -6.108 -6.805 -10.987 61 HG3 GLU 9 HG3 GLU 9 -6.601 -5.271 -11.682 62 H ILE 10 H ILE 10 -5.313 -2.371 -7.687 63 HA ILE 10 HA ILE 10 -7.792 -1.131 -8.784 64 HB ILE 10 HB ILE 10 -6.637 -0.577 -5.924 65 HG12 ILE 10 HG12 ILE 10 -9.396 -1.815 -6.099 66 HG13 ILE 10 HG13 ILE 10 -8.065 -2.873 -6.510 67 HG21 ILE 10 HG21 ILE 10 -9.373 0.383 -7.051 68 HG22 ILE 10 HG22 ILE 10 -7.976 1.418 -6.740 69 HG23 ILE 10 HG23 ILE 10 -8.832 0.675 -5.381 70 HD11 ILE 10 HD11 ILE 10 -7.060 -2.340 -4.256 71 HD12 ILE 10 HD12 ILE 10 -8.559 -3.292 -4.179 72 HD13 ILE 10 HD13 ILE 10 -8.587 -1.558 -3.794 73 H THR 11 H THR 11 -7.775 0.778 -9.829 74 HA THR 11 HA THR 11 -5.471 2.622 -9.882 75 HB THR 11 HB THR 11 -7.003 3.603 -11.975 76 HG1 THR 11 HG1 THR 11 -7.134 0.848 -12.505 77 HG21 THR 11 HG21 THR 11 -4.630 3.394 -12.101 78 HG22 THR 11 HG22 THR 11 -5.322 2.643 -13.545 79 HG23 THR 11 HG23 THR 11 -4.718 1.634 -12.219 80 H LEU 12 H LEU 12 -5.425 4.519 -9.089 81 HA LEU 12 HA LEU 12 -7.814 6.229 -8.596 82 HB2 LEU 12 HB2 LEU 12 -5.385 5.848 -6.737 83 HB3 LEU 12 HB3 LEU 12 -6.416 7.225 -6.557 84 HG LEU 12 HG LEU 12 -6.904 5.863 -4.761 85 HD11 LEU 12 HD11 LEU 12 -9.180 5.215 -6.556 86 HD12 LEU 12 HD12 LEU 12 -8.987 6.582 -5.459 87 HD13 LEU 12 HD13 LEU 12 -9.160 4.953 -4.810 88 HD21 LEU 12 HD21 LEU 12 -6.965 3.377 -6.459 89 HD22 LEU 12 HD22 LEU 12 -7.369 3.425 -4.743 90 HD23 LEU 12 HD23 LEU 12 -5.741 3.842 -5.277 91 H GLU 13 H GLU 13 -7.313 8.706 -8.402 92 HA GLU 13 HA GLU 13 -5.224 9.691 -10.267 93 HB2 GLU 13 HB2 GLU 13 -7.612 11.317 -9.127 94 HB3 GLU 13 HB3 GLU 13 -6.443 11.898 -10.292 95 HG2 GLU 13 HG2 GLU 13 -8.425 11.588 -11.539 96 HG3 GLU 13 HG3 GLU 13 -7.472 10.163 -11.901 97 H ARG 14 H ARG 14 -3.661 11.340 -9.748 98 HA ARG 14 HA ARG 14 -2.449 11.062 -7.106 99 HB2 ARG 14 HB2 ARG 14 -1.215 10.478 -9.227 100 HB3 ARG 14 HB3 ARG 14 -1.398 12.089 -9.820 101 HG2 ARG 14 HG2 ARG 14 0.375 11.586 -7.405 102 HG3 ARG 14 HG3 ARG 14 0.941 11.108 -8.989 103 HD2 ARG 14 HD2 ARG 14 1.916 13.219 -8.754 104 HD3 ARG 14 HD3 ARG 14 0.441 13.632 -9.612 105 HE ARG 14 HE ARG 14 -0.116 13.885 -6.874 106 HH11 ARG 14 HH11 ARG 14 2.057 15.835 -9.056 107 HH12 ARG 14 HH12 ARG 14 1.927 17.241 -8.052 108 HH21 ARG 14 HH21 ARG 14 -0.190 15.779 -5.672 109 HH22 ARG 14 HH22 ARG 14 0.671 17.200 -6.163 110 H GLY 15 H GLY 15 -3.207 12.468 -5.471 111 HA2 GLY 15 HA2 GLY 15 -2.644 14.298 -4.063 112 HA3 GLY 15 HA3 GLY 15 -1.897 15.094 -5.416 113 H ASN 16 H ASN 16 -3.723 15.880 -7.122 114 HA ASN 16 HA ASN 16 -5.235 18.048 -6.040 115 HB2 ASN 16 HB2 ASN 16 -5.101 16.961 -8.902 116 HB3 ASN 16 HB3 ASN 16 -6.095 18.341 -8.499 117 HD21 ASN 16 HD21 ASN 16 -2.846 17.175 -9.035 118 HD22 ASN 16 HD22 ASN 16 -2.057 18.712 -9.042 119 H SER 17 H SER 17 -6.364 14.744 -6.641 120 HA SER 17 HA SER 17 -9.231 15.326 -6.458 121 HB2 SER 17 HB2 SER 17 -8.325 13.591 -8.106 122 HB3 SER 17 HB3 SER 17 -7.854 12.596 -6.737 123 HG SER 17 HG SER 17 -10.400 13.117 -6.374 124 H GLY 18 H GLY 18 -6.550 14.089 -4.057 125 HA2 GLY 18 HA2 GLY 18 -6.817 14.725 -1.795 126 HA3 GLY 18 HA3 GLY 18 -8.545 14.474 -1.925 127 H LEU 19 H LEU 19 -5.457 12.588 -2.383 128 HA LEU 19 HA LEU 19 -6.520 10.067 -1.798 129 HB2 LEU 19 HB2 LEU 19 -3.597 10.941 -2.120 130 HB3 LEU 19 HB3 LEU 19 -3.962 9.301 -1.641 131 HG LEU 19 HG LEU 19 -5.044 10.409 -4.244 132 HD11 LEU 19 HD11 LEU 19 -2.940 9.661 -5.293 133 HD12 LEU 19 HD12 LEU 19 -2.318 9.297 -3.662 134 HD13 LEU 19 HD13 LEU 19 -2.674 10.951 -4.099 135 HD21 LEU 19 HD21 LEU 19 -4.058 7.683 -3.386 136 HD22 LEU 19 HD22 LEU 19 -4.723 8.094 -4.977 137 HD23 LEU 19 HD23 LEU 19 -5.766 8.136 -3.541 138 H GLY 20 H GLY 20 -7.095 9.000 0.068 139 HA2 GLY 20 HA2 GLY 20 -6.495 10.184 2.668 140 HA3 GLY 20 HA3 GLY 20 -8.082 9.645 2.175 141 H PHE 21 H PHE 21 -4.726 8.431 2.458 142 HA PHE 21 HA PHE 21 -5.247 6.642 4.570 143 HB2 PHE 21 HB2 PHE 21 -4.452 4.445 3.542 144 HB3 PHE 21 HB3 PHE 21 -5.808 5.025 2.651 145 HD1 PHE 21 HD1 PHE 21 -5.234 6.204 0.250 146 HD2 PHE 21 HD2 PHE 21 -2.534 3.653 2.366 147 HE1 PHE 21 HE1 PHE 21 -4.021 5.789 -1.841 148 HE2 PHE 21 HE2 PHE 21 -1.310 3.223 0.250 149 HZ PHE 21 HZ PHE 21 -2.053 4.289 -1.845 150 H SER 22 H SER 22 -2.775 5.704 5.574 151 HA SER 22 HA SER 22 -0.542 6.896 4.177 152 HB2 SER 22 HB2 SER 22 -0.797 7.079 7.236 153 HB3 SER 22 HB3 SER 22 0.634 7.403 6.234 154 HG SER 22 HG SER 22 -1.759 8.892 6.459 155 H ILE 23 H ILE 23 1.426 5.804 4.137 156 HA ILE 23 HA ILE 23 1.335 2.967 4.908 157 HB ILE 23 HB ILE 23 2.741 2.418 2.837 158 HG12 ILE 23 HG12 ILE 23 1.691 3.466 0.628 159 HG13 ILE 23 HG13 ILE 23 1.165 4.782 1.656 160 HG21 ILE 23 HG21 ILE 23 0.778 1.393 3.394 161 HG22 ILE 23 HG22 ILE 23 0.541 1.819 1.652 162 HG23 ILE 23 HG23 ILE 23 -0.122 2.838 2.980 163 HD11 ILE 23 HD11 ILE 23 4.031 4.110 0.834 164 HD12 ILE 23 HD12 ILE 23 3.605 5.346 2.022 165 HD13 ILE 23 HD13 ILE 23 3.059 5.517 0.362 166 H ALA 24 H ALA 24 2.685 1.713 5.689 167 HA ALA 24 HA ALA 24 5.309 2.812 6.513 168 HB1 ALA 24 HB1 ALA 24 3.780 2.147 8.382 169 HB2 ALA 24 HB2 ALA 24 5.256 1.182 8.400 170 HB3 ALA 24 HB3 ALA 24 3.761 0.491 7.771 171 H GLY 25 H GLY 25 7.072 2.209 5.564 172 HA2 GLY 25 HA2 GLY 25 7.542 -0.471 4.374 173 HA3 GLY 25 HA3 GLY 25 7.766 0.957 3.376 174 H GLY 26 H GLY 26 9.830 -0.993 3.847 175 HA2 GLY 26 HA2 GLY 26 12.007 0.578 4.738 176 HA3 GLY 26 HA3 GLY 26 11.449 -0.275 6.135 177 H THR 27 H THR 27 13.643 -0.074 3.735 178 HA THR 27 HA THR 27 14.716 -2.697 4.399 179 HB THR 27 HB THR 27 16.795 -1.949 2.833 180 HG1 THR 27 HG1 THR 27 16.280 0.071 2.319 181 HG21 THR 27 HG21 THR 27 15.478 -3.897 2.349 182 HG22 THR 27 HG22 THR 27 15.751 -3.012 0.846 183 HG23 THR 27 HG23 THR 27 14.186 -2.920 1.659 184 H ASP 28 H ASP 28 15.379 0.735 5.021 185 HA ASP 28 HA ASP 28 17.538 0.081 6.887 186 HB2 ASP 28 HB2 ASP 28 17.040 2.774 5.485 187 HB3 ASP 28 HB3 ASP 28 18.097 2.675 6.877 188 H ASN 29 H ASN 29 14.325 1.680 6.715 189 HA ASN 29 HA ASN 29 14.222 2.264 9.580 190 HB2 ASN 29 HB2 ASN 29 12.638 3.590 7.299 191 HB3 ASN 29 HB3 ASN 29 12.086 3.735 8.955 192 HD21 ASN 29 HD21 ASN 29 13.241 5.123 10.373 193 HD22 ASN 29 HD22 ASN 29 14.426 6.248 9.813 194 HA PRO 30 HA PRO 30 11.299 -1.560 10.234 195 HB2 PRO 30 HB2 PRO 30 11.418 -0.955 13.135 196 HB3 PRO 30 HB3 PRO 30 11.980 -2.340 12.252 197 HG2 PRO 30 HG2 PRO 30 13.724 -0.623 13.395 198 HG3 PRO 30 HG3 PRO 30 14.101 -1.548 11.935 199 HD2 PRO 30 HD2 PRO 30 13.330 1.351 12.184 200 HD3 PRO 30 HD3 PRO 30 14.534 0.573 11.151 201 H HIS 31 H HIS 31 9.109 -2.088 11.194 202 HA HIS 31 HA HIS 31 7.561 0.179 12.194 203 HB2 HIS 31 HB2 HIS 31 6.591 -0.492 9.894 204 HB3 HIS 31 HB3 HIS 31 6.239 -2.089 10.522 205 HD1 HIS 31 HD1 HIS 31 5.157 1.550 11.357 206 HD2 HIS 31 HD2 HIS 31 3.590 -2.310 11.389 207 HE1 HIS 31 HE1 HIS 31 2.800 1.784 12.198 208 HE2 HIS 31 HE2 HIS 31 1.885 -0.562 12.242 209 H ILE 32 H ILE 32 8.089 -3.411 12.703 210 HA ILE 32 HA ILE 32 6.783 -3.267 15.284 211 HB ILE 32 HB ILE 32 5.290 -4.239 13.430 212 HG12 ILE 32 HG12 ILE 32 4.623 -6.488 14.766 213 HG13 ILE 32 HG13 ILE 32 5.814 -5.711 15.840 214 HG21 ILE 32 HG21 ILE 32 6.633 -5.552 12.007 215 HG22 ILE 32 HG22 ILE 32 5.346 -6.582 12.628 216 HG23 ILE 32 HG23 ILE 32 6.983 -6.723 13.284 217 HD11 ILE 32 HD11 ILE 32 4.409 -3.775 16.168 218 HD12 ILE 32 HD12 ILE 32 3.367 -5.168 16.486 219 HD13 ILE 32 HD13 ILE 32 3.263 -4.309 14.935 220 H GLY 33 H GLY 33 9.594 -3.050 14.711 221 HA2 GLY 33 HA2 GLY 33 11.334 -3.897 16.506 222 HA3 GLY 33 HA3 GLY 33 10.944 -5.468 15.789 223 H ASP 34 H ASP 34 11.200 -5.599 13.415 224 HA ASP 34 HA ASP 34 12.854 -4.126 11.732 225 HB2 ASP 34 HB2 ASP 34 14.782 -5.205 13.270 226 HB3 ASP 34 HB3 ASP 34 14.363 -6.752 12.572 227 H ASP 35 H ASP 35 10.966 -4.323 10.606 228 HA ASP 35 HA ASP 35 10.238 -6.882 9.264 229 HB2 ASP 35 HB2 ASP 35 8.431 -5.490 10.618 230 HB3 ASP 35 HB3 ASP 35 8.445 -4.365 9.281 231 HA PRO 36 HA PRO 36 12.052 -5.247 5.147 232 HB2 PRO 36 HB2 PRO 36 11.430 -7.831 3.846 233 HB3 PRO 36 HB3 PRO 36 13.001 -7.109 4.182 234 HG2 PRO 36 HG2 PRO 36 12.143 -9.307 5.497 235 HG3 PRO 36 HG3 PRO 36 13.142 -8.078 6.291 236 HD2 PRO 36 HD2 PRO 36 10.150 -8.445 6.420 237 HD3 PRO 36 HD3 PRO 36 11.299 -8.208 7.758 238 H SER 37 H SER 37 8.692 -6.622 5.121 239 HA SER 37 HA SER 37 7.934 -5.663 2.452 240 HB2 SER 37 HB2 SER 37 5.744 -6.949 2.843 241 HB3 SER 37 HB3 SER 37 7.184 -7.946 2.949 242 HG SER 37 HG SER 37 6.006 -6.823 5.277 243 H ILE 38 H ILE 38 5.967 -4.342 1.857 244 HA ILE 38 HA ILE 38 5.540 -2.103 3.702 245 HB ILE 38 HB ILE 38 4.487 -1.925 0.787 246 HG12 ILE 38 HG12 ILE 38 6.700 -1.990 -0.374 247 HG13 ILE 38 HG13 ILE 38 6.745 -0.445 0.220 248 HG21 ILE 38 HG21 ILE 38 4.883 0.521 0.789 249 HG22 ILE 38 HG22 ILE 38 5.348 0.391 2.483 250 HG23 ILE 38 HG23 ILE 38 3.722 -0.069 1.983 251 HD11 ILE 38 HD11 ILE 38 8.163 -2.572 1.808 252 HD12 ILE 38 HD12 ILE 38 8.320 -0.819 1.965 253 HD13 ILE 38 HD13 ILE 38 8.907 -1.641 0.515 254 H PHE 39 H PHE 39 3.873 -1.838 4.984 255 HA PHE 39 HA PHE 39 1.332 -3.357 4.796 256 HB2 PHE 39 HB2 PHE 39 2.923 -4.482 6.344 257 HB3 PHE 39 HB3 PHE 39 3.296 -2.987 7.147 258 HD1 PHE 39 HD1 PHE 39 0.353 -5.414 6.762 259 HD2 PHE 39 HD2 PHE 39 2.538 -2.807 9.322 260 HE1 PHE 39 HE1 PHE 39 -0.983 -6.195 8.693 261 HE2 PHE 39 HE2 PHE 39 1.204 -3.582 11.269 262 HZ PHE 39 HZ PHE 39 -0.565 -5.270 10.938 263 H ILE 40 H ILE 40 -0.662 -2.328 5.469 264 HA ILE 40 HA ILE 40 -0.777 0.561 5.884 265 HB ILE 40 HB ILE 40 -3.333 -1.088 6.065 266 HG12 ILE 40 HG12 ILE 40 -2.424 -2.212 3.993 267 HG13 ILE 40 HG13 ILE 40 -3.833 -1.289 3.572 268 HG21 ILE 40 HG21 ILE 40 -3.791 1.223 6.354 269 HG22 ILE 40 HG22 ILE 40 -4.556 0.669 4.877 270 HG23 ILE 40 HG23 ILE 40 -3.080 1.634 4.777 271 HD11 ILE 40 HD11 ILE 40 -2.332 0.436 2.708 272 HD12 ILE 40 HD12 ILE 40 -2.170 -1.117 1.789 273 HD13 ILE 40 HD13 ILE 40 -0.958 -0.597 3.044 274 H THR 41 H THR 41 -1.655 1.684 7.541 275 HA THR 41 HA THR 41 -2.677 0.558 9.987 276 HB THR 41 HB THR 41 -0.276 0.497 10.739 277 HG1 THR 41 HG1 THR 41 -0.789 0.969 12.683 278 HG21 THR 41 HG21 THR 41 1.128 2.522 11.171 279 HG22 THR 41 HG22 THR 41 -0.110 3.533 10.426 280 HG23 THR 41 HG23 THR 41 0.763 2.351 9.451 281 H LYS 42 H LYS 42 -2.332 3.571 7.984 282 HA LYS 42 HA LYS 42 -4.479 4.744 9.548 283 HB2 LYS 42 HB2 LYS 42 -2.465 6.143 9.880 284 HB3 LYS 42 HB3 LYS 42 -2.106 6.159 8.195 285 HG2 LYS 42 HG2 LYS 42 -2.716 8.432 9.066 286 HG3 LYS 42 HG3 LYS 42 -3.814 7.917 7.803 287 HD2 LYS 42 HD2 LYS 42 -5.529 7.562 9.297 288 HD3 LYS 42 HD3 LYS 42 -4.498 7.673 10.747 289 HE2 LYS 42 HE2 LYS 42 -4.062 10.012 10.151 290 HE3 LYS 42 HE3 LYS 42 -5.159 9.869 8.774 291 HZ1 LYS 42 HZ1 LYS 42 -6.276 10.921 10.662 292 HZ2 LYS 42 HZ2 LYS 42 -5.919 9.593 11.647 293 HZ3 LYS 42 HZ3 LYS 42 -6.977 9.415 10.341 294 H ILE 43 H ILE 43 -6.373 5.033 8.777 295 HA ILE 43 HA ILE 43 -6.815 5.448 5.969 296 HB ILE 43 HB ILE 43 -8.624 3.675 7.796 297 HG12 ILE 43 HG12 ILE 43 -6.931 2.133 6.912 298 HG13 ILE 43 HG13 ILE 43 -8.354 1.674 6.118 299 HG21 ILE 43 HG21 ILE 43 -9.643 4.470 5.105 300 HG22 ILE 43 HG22 ILE 43 -10.342 4.788 6.696 301 HG23 ILE 43 HG23 ILE 43 -10.334 3.130 6.056 302 HD11 ILE 43 HD11 ILE 43 -6.494 1.548 4.518 303 HD12 ILE 43 HD12 ILE 43 -5.967 3.158 4.938 304 HD13 ILE 43 HD13 ILE 43 -7.439 2.970 3.996 305 H ILE 44 H ILE 44 -7.647 7.523 5.605 306 HA ILE 44 HA ILE 44 -8.938 9.172 7.597 307 HB ILE 44 HB ILE 44 -8.186 9.828 4.617 308 HG12 ILE 44 HG12 ILE 44 -6.686 11.696 5.609 309 HG13 ILE 44 HG13 ILE 44 -6.869 10.859 7.158 310 HG21 ILE 44 HG21 ILE 44 -9.408 11.958 6.360 311 HG22 ILE 44 HG22 ILE 44 -10.077 11.228 4.885 312 HG23 ILE 44 HG23 ILE 44 -8.611 12.220 4.789 313 HD11 ILE 44 HD11 ILE 44 -5.753 9.794 4.615 314 HD12 ILE 44 HD12 ILE 44 -5.835 8.946 6.160 315 HD13 ILE 44 HD13 ILE 44 -4.744 10.368 5.985 316 HA PRO 45 HA PRO 45 -13.442 8.007 6.945 317 HB2 PRO 45 HB2 PRO 45 -14.269 10.628 8.142 318 HB3 PRO 45 HB3 PRO 45 -14.614 8.992 8.701 319 HG2 PRO 45 HG2 PRO 45 -12.884 10.529 10.031 320 HG3 PRO 45 HG3 PRO 45 -12.557 8.801 9.809 321 HD2 PRO 45 HD2 PRO 45 -11.423 11.138 8.248 322 HD3 PRO 45 HD3 PRO 45 -10.550 9.769 8.942 323 H GLY 46 H GLY 46 -12.352 11.056 5.428 324 HA2 GLY 46 HA2 GLY 46 -14.496 10.961 3.378 325 HA3 GLY 46 HA3 GLY 46 -14.016 12.491 4.079 326 H GLY 47 H GLY 47 -11.805 9.763 2.964 327 HA2 GLY 47 HA2 GLY 47 -10.550 11.424 0.873 328 HA3 GLY 47 HA3 GLY 47 -9.934 9.918 1.514 329 H ALA 48 H ALA 48 -9.561 9.889 -1.014 330 HA ALA 48 HA ALA 48 -11.723 9.127 -2.781 331 HB1 ALA 48 HB1 ALA 48 -10.085 9.252 -4.603 332 HB2 ALA 48 HB2 ALA 48 -8.756 9.313 -3.448 333 HB3 ALA 48 HB3 ALA 48 -9.892 10.656 -3.550 334 H ALA 49 H ALA 49 -8.996 7.277 -1.243 335 HA ALA 49 HA ALA 49 -9.484 4.755 -2.601 336 HB1 ALA 49 HB1 ALA 49 -7.608 5.276 -0.285 337 HB2 ALA 49 HB2 ALA 49 -7.212 5.475 -1.999 338 HB3 ALA 49 HB3 ALA 49 -7.608 3.875 -1.366 339 H ALA 50 H ALA 50 -10.705 6.110 0.436 340 HA ALA 50 HA ALA 50 -11.673 3.640 1.660 341 HB1 ALA 50 HB1 ALA 50 -12.369 5.054 3.586 342 HB2 ALA 50 HB2 ALA 50 -12.084 6.510 2.651 343 HB3 ALA 50 HB3 ALA 50 -10.728 5.487 3.104 344 H GLN 51 H GLN 51 -13.272 6.555 0.068 345 HA GLN 51 HA GLN 51 -15.943 5.426 0.151 346 HB2 GLN 51 HB2 GLN 51 -15.047 8.157 -0.905 347 HB3 GLN 51 HB3 GLN 51 -16.721 7.647 -0.846 348 HG2 GLN 51 HG2 GLN 51 -16.326 7.438 1.726 349 HG3 GLN 51 HG3 GLN 51 -14.869 8.318 1.441 350 HE21 GLN 51 HE21 GLN 51 -18.369 8.654 1.553 351 HE22 GLN 51 HE22 GLN 51 -18.417 10.380 1.482 352 H ASP 52 H ASP 52 -13.740 6.530 -2.708 353 HA ASP 52 HA ASP 52 -15.562 5.397 -4.655 354 HB2 ASP 52 HB2 ASP 52 -13.309 7.385 -4.823 355 HB3 ASP 52 HB3 ASP 52 -13.823 6.572 -6.275 356 H GLY 53 H GLY 53 -12.283 4.470 -3.444 357 HA2 GLY 53 HA2 GLY 53 -11.513 2.790 -5.742 358 HA3 GLY 53 HA3 GLY 53 -10.545 3.124 -4.334 359 H ARG 54 H ARG 54 -12.152 2.066 -2.233 360 HA ARG 54 HA ARG 54 -12.773 0.455 -1.004 361 HB2 ARG 54 HB2 ARG 54 -13.445 -1.125 -3.474 362 HB3 ARG 54 HB3 ARG 54 -13.551 -1.979 -1.938 363 HG2 ARG 54 HG2 ARG 54 -15.278 -0.277 -1.232 364 HG3 ARG 54 HG3 ARG 54 -15.170 0.440 -2.842 365 HD2 ARG 54 HD2 ARG 54 -15.903 -1.683 -3.832 366 HD3 ARG 54 HD3 ARG 54 -16.011 -2.399 -2.225 367 HE ARG 54 HE ARG 54 -17.620 -0.079 -2.285 368 HH11 ARG 54 HH11 ARG 54 -18.024 -3.418 -3.701 369 HH12 ARG 54 HH12 ARG 54 -19.750 -3.278 -3.738 370 HH21 ARG 54 HH21 ARG 54 -19.868 -0.041 -2.393 371 HH22 ARG 54 HH22 ARG 54 -20.771 -1.387 -3.004 372 H LEU 55 H LEU 55 -10.459 1.020 -0.654 373 HA LEU 55 HA LEU 55 -9.029 -1.388 0.178 374 HB2 LEU 55 HB2 LEU 55 -7.556 -0.131 -1.215 375 HB3 LEU 55 HB3 LEU 55 -8.050 1.417 -0.589 376 HG LEU 55 HG LEU 55 -6.521 -0.084 1.421 377 HD11 LEU 55 HD11 LEU 55 -5.498 -1.185 -0.493 378 HD12 LEU 55 HD12 LEU 55 -4.370 -0.099 0.312 379 HD13 LEU 55 HD13 LEU 55 -5.128 0.385 -1.207 380 HD21 LEU 55 HD21 LEU 55 -5.964 2.434 -0.098 381 HD22 LEU 55 HD22 LEU 55 -5.248 1.976 1.465 382 HD23 LEU 55 HD23 LEU 55 -6.991 2.293 1.310 383 H ARG 56 H ARG 56 -8.953 -2.029 2.157 384 HA ARG 56 HA ARG 56 -9.420 -0.354 4.553 385 HB2 ARG 56 HB2 ARG 56 -10.042 -3.374 4.116 386 HB3 ARG 56 HB3 ARG 56 -9.937 -2.723 5.722 387 HG2 ARG 56 HG2 ARG 56 -11.866 -1.317 5.250 388 HG3 ARG 56 HG3 ARG 56 -11.929 -1.984 3.605 389 HD2 ARG 56 HD2 ARG 56 -12.050 -4.187 4.487 390 HD3 ARG 56 HD3 ARG 56 -11.950 -3.547 6.121 391 HE ARG 56 HE ARG 56 -14.195 -2.334 4.895 392 HH11 ARG 56 HH11 ARG 56 -13.686 -5.764 6.028 393 HH12 ARG 56 HH12 ARG 56 -15.384 -6.030 6.246 394 HH21 ARG 56 HH21 ARG 56 -16.374 -2.824 5.223 395 HH22 ARG 56 HH22 ARG 56 -16.876 -4.381 5.794 396 H VAL 57 H VAL 57 -8.112 -0.979 6.582 397 HA VAL 57 HA VAL 57 -5.255 -1.044 6.359 398 HB VAL 57 HB VAL 57 -5.121 -1.612 8.945 399 HG11 VAL 57 HG11 VAL 57 -6.526 0.859 8.066 400 HG12 VAL 57 HG12 VAL 57 -4.799 0.541 8.134 401 HG13 VAL 57 HG13 VAL 57 -5.735 0.628 9.640 402 HG21 VAL 57 HG21 VAL 57 -7.072 -1.258 10.322 403 HG22 VAL 57 HG22 VAL 57 -7.406 -2.578 9.108 404 HG23 VAL 57 HG23 VAL 57 -8.019 -0.911 8.839 405 H ASN 58 H ASN 58 -7.296 -3.681 6.527 406 HA ASN 58 HA ASN 58 -5.420 -5.766 7.125 407 HB2 ASN 58 HB2 ASN 58 -7.769 -5.449 8.122 408 HB3 ASN 58 HB3 ASN 58 -8.441 -6.002 6.611 409 HD21 ASN 58 HD21 ASN 58 -8.356 -8.262 6.104 410 HD22 ASN 58 HD22 ASN 58 -7.969 -9.471 7.278 411 H ASP 59 H ASP 59 -5.846 -4.037 4.149 412 HA ASP 59 HA ASP 59 -6.068 -6.296 2.323 413 HB2 ASP 59 HB2 ASP 59 -6.315 -3.332 1.860 414 HB3 ASP 59 HB3 ASP 59 -5.845 -4.335 0.500 415 H SER 60 H SER 60 -3.339 -4.064 3.316 416 HA SER 60 HA SER 60 -1.143 -3.833 2.806 417 HB2 SER 60 HB2 SER 60 -1.216 -6.864 3.174 418 HB3 SER 60 HB3 SER 60 0.278 -5.931 3.216 419 HG SER 60 HG SER 60 -0.186 -5.737 5.272 420 H ILE 61 H ILE 61 0.157 -3.161 1.213 421 HA ILE 61 HA ILE 61 -0.272 -4.170 -1.527 422 HB ILE 61 HB ILE 61 1.561 -1.664 -1.013 423 HG12 ILE 61 HG12 ILE 61 -1.437 -1.205 -1.666 424 HG13 ILE 61 HG13 ILE 61 -0.961 -1.426 0.002 425 HG21 ILE 61 HG21 ILE 61 0.913 -0.943 -3.359 426 HG22 ILE 61 HG22 ILE 61 -0.137 -2.352 -3.494 427 HG23 ILE 61 HG23 ILE 61 1.592 -2.579 -3.364 428 HD11 ILE 61 HD11 ILE 61 0.397 0.663 -0.116 429 HD12 ILE 61 HD12 ILE 61 -1.290 0.974 -0.548 430 HD13 ILE 61 HD13 ILE 61 -0.062 0.844 -1.812 431 H LEU 62 H LEU 62 1.018 -5.574 -2.724 432 HA LEU 62 HA LEU 62 3.813 -6.101 -1.919 433 HB2 LEU 62 HB2 LEU 62 3.773 -8.075 -3.428 434 HB3 LEU 62 HB3 LEU 62 2.536 -8.233 -2.186 435 HG LEU 62 HG LEU 62 1.808 -7.490 -5.050 436 HD11 LEU 62 HD11 LEU 62 1.365 -9.841 -5.397 437 HD12 LEU 62 HD12 LEU 62 2.132 -10.196 -3.837 438 HD13 LEU 62 HD13 LEU 62 3.085 -9.491 -5.164 439 HD21 LEU 62 HD21 LEU 62 0.283 -8.945 -2.885 440 HD22 LEU 62 HD22 LEU 62 -0.319 -8.538 -4.492 441 HD23 LEU 62 HD23 LEU 62 0.045 -7.258 -3.335 442 H PHE 63 H PHE 63 2.005 -4.898 -4.730 443 HA PHE 63 HA PHE 63 4.544 -3.824 -5.872 444 HB2 PHE 63 HB2 PHE 63 2.510 -5.462 -7.471 445 HB3 PHE 63 HB3 PHE 63 3.611 -4.380 -8.314 446 HD1 PHE 63 HD1 PHE 63 3.468 -7.418 -6.150 447 HD2 PHE 63 HD2 PHE 63 5.877 -5.109 -8.747 448 HE1 PHE 63 HE1 PHE 63 5.048 -9.243 -6.198 449 HE2 PHE 63 HE2 PHE 63 7.549 -6.799 -8.793 450 HZ PHE 63 HZ PHE 63 7.197 -8.986 -7.534 451 H VAL 64 H VAL 64 4.579 -1.739 -6.725 452 HA VAL 64 HA VAL 64 2.018 -0.228 -7.087 453 HB VAL 64 HB VAL 64 4.538 1.309 -5.946 454 HG11 VAL 64 HG11 VAL 64 2.964 2.843 -6.995 455 HG12 VAL 64 HG12 VAL 64 3.062 3.163 -5.258 456 HG13 VAL 64 HG13 VAL 64 1.671 2.289 -5.921 457 HG21 VAL 64 HG21 VAL 64 3.531 1.509 -3.699 458 HG22 VAL 64 HG22 VAL 64 3.831 -0.181 -4.124 459 HG23 VAL 64 HG23 VAL 64 2.200 0.468 -4.212 460 H ASN 65 H ASN 65 1.663 1.057 -8.788 461 HA ASN 65 HA ASN 65 1.650 1.780 -10.854 462 HB2 ASN 65 HB2 ASN 65 4.761 1.853 -10.604 463 HB3 ASN 65 HB3 ASN 65 4.199 2.109 -12.218 464 HD21 ASN 65 HD21 ASN 65 3.039 4.103 -12.638 465 HD22 ASN 65 HD22 ASN 65 3.155 5.451 -11.564 466 H GLU 66 H GLU 66 4.347 -0.396 -11.483 467 HA GLU 66 HA GLU 66 3.106 -2.881 -12.146 468 HB2 GLU 66 HB2 GLU 66 4.587 -1.325 -14.409 469 HB3 GLU 66 HB3 GLU 66 4.550 -3.072 -14.428 470 HG2 GLU 66 HG2 GLU 66 2.074 -2.997 -14.683 471 HG3 GLU 66 HG3 GLU 66 2.129 -1.241 -14.652 472 H VAL 67 H VAL 67 5.187 -1.250 -10.257 473 HA VAL 67 HA VAL 67 7.670 -2.601 -10.745 474 HB VAL 67 HB VAL 67 8.905 -0.809 -9.667 475 HG11 VAL 67 HG11 VAL 67 8.871 -0.888 -11.899 476 HG12 VAL 67 HG12 VAL 67 9.025 0.826 -11.406 477 HG13 VAL 67 HG13 VAL 67 7.460 0.199 -12.033 478 HG21 VAL 67 HG21 VAL 67 6.463 1.074 -9.636 479 HG22 VAL 67 HG22 VAL 67 8.161 1.531 -9.210 480 HG23 VAL 67 HG23 VAL 67 7.314 0.286 -8.270 481 H ASP 68 H ASP 68 9.200 -2.858 -9.085 482 HA ASP 68 HA ASP 68 7.990 -4.323 -7.079 483 HB2 ASP 68 HB2 ASP 68 10.237 -5.684 -6.727 484 HB3 ASP 68 HB3 ASP 68 9.396 -5.905 -8.239 485 H VAL 69 H VAL 69 7.505 -3.433 -5.307 486 HA VAL 69 HA VAL 69 9.349 -1.738 -3.822 487 HB VAL 69 HB VAL 69 7.532 -0.953 -2.300 488 HG11 VAL 69 HG11 VAL 69 7.032 -0.272 -5.147 489 HG12 VAL 69 HG12 VAL 69 8.037 0.480 -3.868 490 HG13 VAL 69 HG13 VAL 69 6.279 0.448 -3.676 491 HG21 VAL 69 HG21 VAL 69 5.581 -2.695 -3.844 492 HG22 VAL 69 HG22 VAL 69 5.051 -1.181 -3.095 493 HG23 VAL 69 HG23 VAL 69 5.819 -2.419 -2.083 494 H ARG 70 H ARG 70 8.435 -4.916 -3.649 495 HA ARG 70 HA ARG 70 8.337 -5.803 -1.014 496 HB2 ARG 70 HB2 ARG 70 9.104 -8.120 -1.785 497 HB3 ARG 70 HB3 ARG 70 7.778 -7.449 -2.694 498 HG2 ARG 70 HG2 ARG 70 9.364 -7.000 -4.615 499 HG3 ARG 70 HG3 ARG 70 10.685 -7.661 -3.666 500 HD2 ARG 70 HD2 ARG 70 8.228 -9.273 -4.432 501 HD3 ARG 70 HD3 ARG 70 9.662 -9.194 -5.443 502 HE ARG 70 HE ARG 70 10.391 -10.053 -2.815 503 HH11 ARG 70 HH11 ARG 70 8.834 -11.692 -5.669 504 HH12 ARG 70 HH12 ARG 70 9.330 -13.264 -5.135 505 HH21 ARG 70 HH21 ARG 70 10.969 -12.147 -2.245 506 HH22 ARG 70 HH22 ARG 70 10.524 -13.508 -3.220 507 H GLU 71 H GLU 71 11.370 -4.694 -2.399 508 HA GLU 71 HA GLU 71 12.753 -4.705 0.084 509 HB2 GLU 71 HB2 GLU 71 13.797 -6.107 -2.378 510 HB3 GLU 71 HB3 GLU 71 14.949 -5.227 -1.405 511 HG2 GLU 71 HG2 GLU 71 14.362 -6.757 0.540 512 HG3 GLU 71 HG3 GLU 71 13.225 -7.599 -0.504 513 H VAL 72 H VAL 72 11.900 -2.546 -0.032 514 HA VAL 72 HA VAL 72 13.823 -0.555 -1.026 515 HB VAL 72 HB VAL 72 12.259 1.139 -1.807 516 HG11 VAL 72 HG11 VAL 72 12.857 -0.320 -3.711 517 HG12 VAL 72 HG12 VAL 72 11.209 0.258 -3.992 518 HG13 VAL 72 HG13 VAL 72 11.465 -1.371 -3.382 519 HG21 VAL 72 HG21 VAL 72 10.263 1.095 -0.618 520 HG22 VAL 72 HG22 VAL 72 9.721 -0.385 -1.434 521 HG23 VAL 72 HG23 VAL 72 9.815 1.131 -2.345 522 H THR 73 H THR 73 13.532 1.526 -0.028 523 HA THR 73 HA THR 73 12.907 1.647 2.889 524 HB THR 73 HB THR 73 13.546 4.225 2.602 525 HG1 THR 73 HG1 THR 73 15.223 4.391 0.816 526 HG21 THR 73 HG21 THR 73 14.990 2.753 3.818 527 HG22 THR 73 HG22 THR 73 15.942 3.853 2.814 528 HG23 THR 73 HG23 THR 73 15.727 2.160 2.313 529 H HIS 74 H HIS 74 11.517 3.536 3.840 530 HA HIS 74 HA HIS 74 8.809 3.598 2.874 531 HB2 HIS 74 HB2 HIS 74 8.150 5.298 4.646 532 HB3 HIS 74 HB3 HIS 74 9.204 4.071 5.302 533 HD1 HIS 74 HD1 HIS 74 8.591 7.634 5.463 534 HD2 HIS 74 HD2 HIS 74 12.047 5.316 5.734 535 HE1 HIS 74 HE1 HIS 74 10.278 9.074 6.681 536 HE2 HIS 74 HE2 HIS 74 12.370 7.662 6.789 537 H SER 75 H SER 75 11.152 6.183 2.530 538 HA SER 75 HA SER 75 9.880 8.112 0.884 539 HB2 SER 75 HB2 SER 75 12.238 8.843 0.206 540 HB3 SER 75 HB3 SER 75 11.927 8.835 1.952 541 HG SER 75 HG SER 75 13.866 7.826 1.768 542 H ALA 76 H ALA 76 11.530 5.011 -0.266 543 HA ALA 76 HA ALA 76 11.545 5.566 -3.060 544 HB1 ALA 76 HB1 ALA 76 12.049 3.104 -1.409 545 HB2 ALA 76 HB2 ALA 76 13.276 4.279 -1.831 546 HB3 ALA 76 HB3 ALA 76 12.522 3.277 -3.104 547 H ALA 77 H ALA 77 9.140 4.140 -0.749 548 HA ALA 77 HA ALA 77 7.358 2.978 -2.770 549 HB1 ALA 77 HB1 ALA 77 5.953 2.291 -0.864 550 HB2 ALA 77 HB2 ALA 77 6.926 3.295 0.216 551 HB3 ALA 77 HB3 ALA 77 7.644 1.865 -0.539 552 H VAL 78 H VAL 78 7.489 5.990 -0.769 553 HA VAL 78 HA VAL 78 4.913 7.199 -1.552 554 HB VAL 78 HB VAL 78 7.358 8.563 -0.105 555 HG11 VAL 78 HG11 VAL 78 5.857 10.369 -1.044 556 HG12 VAL 78 HG12 VAL 78 5.930 10.370 0.733 557 HG13 VAL 78 HG13 VAL 78 4.526 9.678 -0.083 558 HG21 VAL 78 HG21 VAL 78 6.072 8.410 1.967 559 HG22 VAL 78 HG22 VAL 78 6.306 6.811 1.208 560 HG23 VAL 78 HG23 VAL 78 4.760 7.676 1.029 561 H GLU 79 H GLU 79 8.248 7.634 -2.854 562 HA GLU 79 HA GLU 79 7.890 9.665 -4.845 563 HB2 GLU 79 HB2 GLU 79 9.959 7.531 -4.544 564 HB3 GLU 79 HB3 GLU 79 10.048 8.591 -5.939 565 HG2 GLU 79 HG2 GLU 79 10.103 10.553 -4.312 566 HG3 GLU 79 HG3 GLU 79 10.204 9.329 -3.048 567 H ALA 80 H ALA 80 7.061 6.304 -5.081 568 HA ALA 80 HA ALA 80 6.421 6.176 -7.916 569 HB1 ALA 80 HB1 ALA 80 5.605 4.301 -5.656 570 HB2 ALA 80 HB2 ALA 80 7.065 4.140 -6.625 571 HB3 ALA 80 HB3 ALA 80 5.483 3.926 -7.381 572 H LEU 81 H LEU 81 4.598 7.231 -4.918 573 HA LEU 81 HA LEU 81 2.018 7.481 -6.250 574 HB2 LEU 81 HB2 LEU 81 2.750 7.734 -3.310 575 HB3 LEU 81 HB3 LEU 81 1.118 7.990 -3.890 576 HG LEU 81 HG LEU 81 2.355 5.438 -4.599 577 HD11 LEU 81 HD11 LEU 81 1.998 4.349 -2.463 578 HD12 LEU 81 HD12 LEU 81 1.740 5.964 -1.754 579 HD13 LEU 81 HD13 LEU 81 3.272 5.568 -2.569 580 HD21 LEU 81 HD21 LEU 81 -0.386 6.011 -3.445 581 HD22 LEU 81 HD22 LEU 81 0.173 4.446 -4.111 582 HD23 LEU 81 HD23 LEU 81 0.058 5.870 -5.154 583 H LYS 82 H LYS 82 4.509 9.637 -5.129 584 HA LYS 82 HA LYS 82 3.035 12.123 -5.647 585 HB2 LYS 82 HB2 LYS 82 5.738 11.581 -4.413 586 HB3 LYS 82 HB3 LYS 82 5.429 13.194 -4.998 587 HG2 LYS 82 HG2 LYS 82 3.465 13.327 -3.419 588 HG3 LYS 82 HG3 LYS 82 3.903 11.737 -2.798 589 HD2 LYS 82 HD2 LYS 82 6.078 12.603 -2.043 590 HD3 LYS 82 HD3 LYS 82 5.719 14.178 -2.736 591 HE2 LYS 82 HE2 LYS 82 4.050 12.944 -0.518 592 HE3 LYS 82 HE3 LYS 82 5.472 13.917 -0.183 593 HZ1 LYS 82 HZ1 LYS 82 4.378 15.807 -1.286 594 HZ2 LYS 82 HZ2 LYS 82 3.430 15.231 -0.009 595 HZ3 LYS 82 HZ3 LYS 82 3.011 14.857 -1.604 596 H GLU 83 H GLU 83 5.704 10.330 -7.249 597 HA GLU 83 HA GLU 83 6.024 12.379 -9.371 598 HB2 GLU 83 HB2 GLU 83 7.589 10.072 -8.686 599 HB3 GLU 83 HB3 GLU 83 7.946 10.807 -10.253 600 HG2 GLU 83 HG2 GLU 83 8.022 12.927 -9.111 601 HG3 GLU 83 HG3 GLU 83 8.024 12.089 -7.571 602 H ALA 84 H ALA 84 4.164 9.555 -9.445 603 HA ALA 84 HA ALA 84 4.395 8.585 -12.157 604 HB1 ALA 84 HB1 ALA 84 3.122 7.367 -10.360 605 HB2 ALA 84 HB2 ALA 84 2.319 7.362 -11.929 606 HB3 ALA 84 HB3 ALA 84 1.752 8.435 -10.666 607 H GLY 85 H GLY 85 2.640 11.460 -11.206 608 HA2 GLY 85 HA2 GLY 85 2.916 13.358 -12.896 609 HA3 GLY 85 HA3 GLY 85 2.311 12.121 -13.995 610 H SER 86 H SER 86 0.036 11.192 -12.666 611 HA SER 86 HA SER 86 -1.955 13.101 -12.047 612 HB2 SER 86 HB2 SER 86 -3.288 13.354 -14.186 613 HB3 SER 86 HB3 SER 86 -1.530 13.766 -14.251 614 HG SER 86 HG SER 86 -1.852 11.237 -15.074 615 H ILE 87 H ILE 87 -1.192 9.864 -13.228 616 HA ILE 87 HA ILE 87 -3.507 8.666 -11.870 617 HB ILE 87 HB ILE 87 -2.651 7.757 -14.719 618 HG12 ILE 87 HG12 ILE 87 -3.991 9.787 -14.985 619 HG13 ILE 87 HG13 ILE 87 -4.881 8.485 -15.753 620 HG21 ILE 87 HG21 ILE 87 -4.545 6.114 -14.949 621 HG22 ILE 87 HG22 ILE 87 -4.888 6.394 -13.234 622 HG23 ILE 87 HG23 ILE 87 -3.332 5.697 -13.708 623 HD11 ILE 87 HD11 ILE 87 -6.530 8.642 -13.794 624 HD12 ILE 87 HD12 ILE 87 -6.407 10.170 -14.665 625 HD13 ILE 87 HD13 ILE 87 -5.578 9.959 -13.128 626 H VAL 88 H VAL 88 -3.107 7.256 -10.493 627 HA VAL 88 HA VAL 88 -0.535 5.858 -10.210 628 HB VAL 88 HB VAL 88 -1.266 5.982 -7.914 629 HG11 VAL 88 HG11 VAL 88 1.050 6.970 -8.445 630 HG12 VAL 88 HG12 VAL 88 0.368 8.244 -7.427 631 HG13 VAL 88 HG13 VAL 88 0.249 8.343 -9.179 632 HG21 VAL 88 HG21 VAL 88 -1.530 7.912 -6.425 633 HG22 VAL 88 HG22 VAL 88 -2.511 6.484 -6.753 634 HG23 VAL 88 HG23 VAL 88 -2.857 8.002 -7.588 635 H ARG 89 H ARG 89 -0.547 3.791 -10.021 636 HA ARG 89 HA ARG 89 -2.964 2.219 -9.286 637 HB2 ARG 89 HB2 ARG 89 -2.515 1.891 -11.681 638 HB3 ARG 89 HB3 ARG 89 -0.832 1.440 -11.475 639 HG2 ARG 89 HG2 ARG 89 -1.746 -0.746 -10.624 640 HG3 ARG 89 HG3 ARG 89 -3.371 -0.134 -10.999 641 HD2 ARG 89 HD2 ARG 89 -2.759 0.272 -13.242 642 HD3 ARG 89 HD3 ARG 89 -1.088 -0.152 -12.897 643 HE ARG 89 HE ARG 89 -2.758 -2.393 -12.305 644 HH11 ARG 89 HH11 ARG 89 -1.536 -0.972 -15.439 645 HH12 ARG 89 HH12 ARG 89 -1.644 -2.492 -16.263 646 HH21 ARG 89 HH21 ARG 89 -2.834 -4.301 -13.510 647 HH22 ARG 89 HH22 ARG 89 -2.369 -4.340 -15.178 648 H LEU 90 H LEU 90 -3.018 0.746 -7.736 649 HA LEU 90 HA LEU 90 -0.631 -0.321 -6.367 650 HB2 LEU 90 HB2 LEU 90 -2.009 -0.306 -4.146 651 HB3 LEU 90 HB3 LEU 90 -1.584 1.278 -4.727 652 HG LEU 90 HG LEU 90 -4.128 1.157 -5.636 653 HD11 LEU 90 HD11 LEU 90 -4.644 -1.022 -4.906 654 HD12 LEU 90 HD12 LEU 90 -5.597 0.129 -3.952 655 HD13 LEU 90 HD13 LEU 90 -4.162 -0.651 -3.252 656 HD21 LEU 90 HD21 LEU 90 -3.305 1.801 -2.830 657 HD22 LEU 90 HD22 LEU 90 -4.708 2.467 -3.719 658 HD23 LEU 90 HD23 LEU 90 -3.045 2.760 -4.284 659 H TYR 91 H TYR 91 -0.420 -2.423 -5.870 660 HA TYR 91 HA TYR 91 -2.559 -4.373 -6.489 661 HB2 TYR 91 HB2 TYR 91 -0.401 -4.360 -8.128 662 HB3 TYR 91 HB3 TYR 91 0.410 -5.021 -6.792 663 HD1 TYR 91 HD1 TYR 91 -2.912 -6.114 -8.323 664 HD2 TYR 91 HD2 TYR 91 1.043 -7.191 -7.208 665 HE1 TYR 91 HE1 TYR 91 -3.435 -8.304 -8.910 666 HE2 TYR 91 HE2 TYR 91 0.610 -9.488 -7.820 667 HH TYR 91 HH TYR 91 -2.146 -10.420 -9.665 668 H VAL 92 H VAL 92 -3.438 -5.121 -4.829 669 HA VAL 92 HA VAL 92 -1.973 -5.633 -2.279 670 HB VAL 92 HB VAL 92 -4.106 -5.298 -0.942 671 HG11 VAL 92 HG11 VAL 92 -4.631 -2.972 -1.283 672 HG12 VAL 92 HG12 VAL 92 -3.860 -3.037 -2.857 673 HG13 VAL 92 HG13 VAL 92 -2.882 -3.272 -1.397 674 HG21 VAL 92 HG21 VAL 92 -6.315 -4.578 -2.049 675 HG22 VAL 92 HG22 VAL 92 -5.700 -6.231 -2.386 676 HG23 VAL 92 HG23 VAL 92 -5.525 -5.025 -3.617 677 H MET 93 H MET 93 -2.797 -7.294 -0.686 678 HA MET 93 HA MET 93 -3.440 -10.038 -1.744 679 HB2 MET 93 HB2 MET 93 -1.481 -11.202 -0.514 680 HB3 MET 93 HB3 MET 93 -0.960 -10.121 -1.782 681 HG2 MET 93 HG2 MET 93 -0.164 -8.488 -0.113 682 HG3 MET 93 HG3 MET 93 -0.770 -9.497 1.197 683 HE1 MET 93 HE1 MET 93 1.621 -9.362 2.351 684 HE2 MET 93 HE2 MET 93 2.255 -8.383 1.026 685 HE3 MET 93 HE3 MET 93 3.126 -9.821 1.555 686 H ARG 94 H ARG 94 -4.938 -11.196 -0.854 687 HA ARG 94 HA ARG 94 -5.436 -11.313 2.035 688 HB2 ARG 94 HB2 ARG 94 -7.680 -10.566 0.044 689 HB3 ARG 94 HB3 ARG 94 -8.057 -11.315 1.579 690 HG2 ARG 94 HG2 ARG 94 -7.062 -9.324 2.744 691 HG3 ARG 94 HG3 ARG 94 -6.769 -8.586 1.176 692 HD2 ARG 94 HD2 ARG 94 -8.766 -7.575 1.979 693 HD3 ARG 94 HD3 ARG 94 -9.304 -8.750 0.789 694 HE ARG 94 HE ARG 94 -9.375 -9.916 3.407 695 HH11 ARG 94 HH11 ARG 94 -11.547 -7.627 1.587 696 HH12 ARG 94 HH12 ARG 94 -12.919 -8.039 2.560 697 HH21 ARG 94 HH21 ARG 94 -11.228 -10.351 4.582 698 HH22 ARG 94 HH22 ARG 94 -12.731 -9.563 4.237 699 H ARG 95 H ARG 95 -5.888 -13.340 2.853 700 HA ARG 95 HA ARG 95 -6.151 -15.665 1.072 701 HB2 ARG 95 HB2 ARG 95 -4.468 -15.417 3.161 702 HB3 ARG 95 HB3 ARG 95 -5.858 -15.894 4.116 703 HG2 ARG 95 HG2 ARG 95 -5.947 -18.068 2.889 704 HG3 ARG 95 HG3 ARG 95 -4.570 -17.573 1.920 705 HD2 ARG 95 HD2 ARG 95 -3.675 -18.996 3.523 706 HD3 ARG 95 HD3 ARG 95 -3.319 -17.362 4.111 707 HE ARG 95 HE ARG 95 -5.663 -18.079 5.417 708 HH11 ARG 95 HH11 ARG 95 -2.405 -19.695 5.632 709 HH12 ARG 95 HH12 ARG 95 -2.724 -20.304 7.221 710 HH21 ARG 95 HH21 ARG 95 -5.940 -18.933 7.478 711 HH22 ARG 95 HH22 ARG 95 -4.704 -19.871 8.246 712 H LYS 96 H LYS 96 -7.808 -17.297 1.236 713 HA LYS 96 HA LYS 96 -10.452 -16.244 1.479 714 HB2 LYS 96 HB2 LYS 96 -11.337 -18.407 0.419 715 HB3 LYS 96 HB3 LYS 96 -10.026 -17.711 -0.489 716 HG2 LYS 96 HG2 LYS 96 -8.532 -19.452 0.149 717 HG3 LYS 96 HG3 LYS 96 -9.661 -20.140 1.320 718 HD2 LYS 96 HD2 LYS 96 -10.451 -19.971 -1.608 719 HD3 LYS 96 HD3 LYS 96 -9.317 -21.219 -1.125 720 HE2 LYS 96 HE2 LYS 96 -11.041 -22.156 0.429 721 HE3 LYS 96 HE3 LYS 96 -12.158 -20.881 -0.051 722 HZ1 LYS 96 HZ1 LYS 96 -12.608 -22.948 -1.222 723 HZ2 LYS 96 HZ2 LYS 96 -11.036 -22.971 -1.845 724 HZ3 LYS 96 HZ3 LYS 96 -12.110 -21.751 -2.310 725 HA PRO 97 HA PRO 97 -11.887 -17.797 5.702 726 HB2 PRO 97 HB2 PRO 97 -14.242 -16.043 5.612 727 HB3 PRO 97 HB3 PRO 97 -12.814 -15.899 6.629 728 HG2 PRO 97 HG2 PRO 97 -13.420 -14.110 4.643 729 HG3 PRO 97 HG3 PRO 97 -11.763 -14.444 5.170 730 HD2 PRO 97 HD2 PRO 97 -13.245 -15.524 2.778 731 HD3 PRO 97 HD3 PRO 97 -11.583 -14.899 2.874 732 HA PRO 98 HA PRO 98 -15.358 -20.962 4.671 733 HB2 PRO 98 HB2 PRO 98 -15.654 -21.624 7.570 734 HB3 PRO 98 HB3 PRO 98 -15.156 -22.670 6.240 735 HG2 PRO 98 HG2 PRO 98 -13.395 -21.877 8.104 736 HG3 PRO 98 HG3 PRO 98 -12.917 -22.034 6.406 737 HD2 PRO 98 HD2 PRO 98 -13.651 -19.540 7.936 738 HD3 PRO 98 HD3 PRO 98 -12.253 -19.822 6.873 739 H ALA 99 H ALA 99 -17.475 -20.709 4.143 740 HA ALA 99 HA ALA 99 -19.330 -19.099 5.774 741 HB1 ALA 99 HB1 ALA 99 -18.771 -17.987 3.576 742 HB2 ALA 99 HB2 ALA 99 -20.495 -18.314 3.727 743 HB3 ALA 99 HB3 ALA 99 -19.491 -19.356 2.722 744 H1 VAL 1 H1 VAL 1 5.148 3.609 16.014 745 H2 VAL 1 H2 VAL 1 3.643 2.865 15.813 746 H3 VAL 1 H3 VAL 1 5.031 2.151 15.159 747 HA VAL 1 HA VAL 1 4.612 2.648 18.006 748 HB VAL 1 HB VAL 1 2.963 1.085 16.933 749 HG11 VAL 1 HG11 VAL 1 5.023 -1.038 16.481 750 HG12 VAL 1 HG12 VAL 1 3.891 -0.319 15.350 751 HG13 VAL 1 HG13 VAL 1 3.298 -1.401 16.610 752 HG21 VAL 1 HG21 VAL 1 4.362 -0.102 19.333 753 HG22 VAL 1 HG22 VAL 1 2.797 -0.681 18.764 754 HG23 VAL 1 HG23 VAL 1 2.970 0.986 19.313 755 H VAL 2 H VAL 2 6.421 3.064 18.995 756 HA VAL 2 HA VAL 2 8.528 3.342 19.612 757 HB VAL 2 HB VAL 2 10.061 1.350 20.270 758 HG11 VAL 2 HG11 VAL 2 8.675 0.454 22.070 759 HG12 VAL 2 HG12 VAL 2 7.271 1.217 21.328 760 HG13 VAL 2 HG13 VAL 2 8.607 2.212 21.911 761 HG21 VAL 2 HG21 VAL 2 7.804 -0.494 19.262 762 HG22 VAL 2 HG22 VAL 2 9.145 -1.026 20.264 763 HG23 VAL 2 HG23 VAL 2 9.449 -0.440 18.633 764 H SER 3 H SER 3 8.390 2.560 16.433 765 HA SER 3 HA SER 3 11.264 2.906 15.697 766 HB2 SER 3 HB2 SER 3 10.728 1.652 13.597 767 HB3 SER 3 HB3 SER 3 10.519 0.713 15.071 768 HG SER 3 HG SER 3 8.249 2.030 14.247 769 H GLU 4 H GLU 4 8.015 3.882 14.124 770 HA GLU 4 HA GLU 4 9.380 6.182 12.918 771 HB2 GLU 4 HB2 GLU 4 8.106 5.924 10.689 772 HB3 GLU 4 HB3 GLU 4 9.123 4.501 11.064 773 HG2 GLU 4 HG2 GLU 4 6.658 3.521 11.613 774 HG3 GLU 4 HG3 GLU 4 6.227 5.020 10.759 775 H ARG 5 H ARG 5 8.189 8.088 12.114 776 HA ARG 5 HA ARG 5 6.269 9.244 13.919 777 HB2 ARG 5 HB2 ARG 5 6.462 11.381 12.449 778 HB3 ARG 5 HB3 ARG 5 7.983 10.804 13.077 779 HG2 ARG 5 HG2 ARG 5 8.556 9.896 10.769 780 HG3 ARG 5 HG3 ARG 5 7.022 10.493 10.171 781 HD2 ARG 5 HD2 ARG 5 9.209 12.273 11.309 782 HD3 ARG 5 HD3 ARG 5 9.064 11.867 9.604 783 HE ARG 5 HE ARG 5 6.633 13.057 10.623 784 HH11 ARG 5 HH11 ARG 5 9.793 14.280 9.285 785 HH12 ARG 5 HH12 ARG 5 9.118 15.825 8.892 786 HH21 ARG 5 HH21 ARG 5 5.893 15.106 10.058 787 HH22 ARG 5 HH22 ARG 5 6.939 16.278 9.329 788 H ILE 6 H ILE 6 5.900 7.919 10.649 789 HA ILE 6 HA ILE 6 4.471 7.514 9.178 790 HB ILE 6 HB ILE 6 3.945 5.972 11.211 791 HG12 ILE 6 HG12 ILE 6 4.083 4.886 9.025 792 HG13 ILE 6 HG13 ILE 6 2.787 4.145 9.908 793 HG21 ILE 6 HG21 ILE 6 1.669 5.234 11.777 794 HG22 ILE 6 HG22 ILE 6 1.158 6.829 11.228 795 HG23 ILE 6 HG23 ILE 6 2.353 6.687 12.515 796 HD11 ILE 6 HD11 ILE 6 2.332 4.289 7.452 797 HD12 ILE 6 HD12 ILE 6 2.516 6.000 7.487 798 HD13 ILE 6 HD13 ILE 6 1.116 5.258 8.247 799 H SER 7 H SER 7 4.619 9.656 8.495 800 HA SER 7 HA SER 7 2.006 10.629 7.622 801 HB2 SER 7 HB2 SER 7 2.932 13.065 7.460 802 HB3 SER 7 HB3 SER 7 2.806 12.471 9.108 803 HG SER 7 HG SER 7 4.895 13.554 8.089 804 H SER 8 H SER 8 1.905 9.303 5.967 805 HA SER 8 HA SER 8 3.563 9.724 3.547 806 HB2 SER 8 HB2 SER 8 2.612 6.918 4.529 807 HB3 SER 8 HB3 SER 8 3.444 7.261 3.042 808 HG SER 8 HG SER 8 5.123 6.789 4.267 809 H VAL 9 H VAL 9 2.270 8.238 1.524 810 HA VAL 9 HA VAL 9 -0.472 9.319 1.356 811 HB VAL 9 HB VAL 9 1.179 8.774 -1.287 812 HG11 VAL 9 HG11 VAL 9 -0.288 10.571 -2.394 813 HG12 VAL 9 HG12 VAL 9 -1.101 10.849 -0.893 814 HG13 VAL 9 HG13 VAL 9 -1.261 9.310 -1.681 815 HG21 VAL 9 HG21 VAL 9 1.216 11.534 0.050 816 HG22 VAL 9 HG22 VAL 9 1.818 11.200 -1.568 817 HG23 VAL 9 HG23 VAL 9 2.610 10.464 -0.168 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 -12.185 -31.830 -1.637 2 H2 GLY 1 H2 GLY 1 -11.107 -32.028 -2.923 3 H3 GLY 1 H3 GLY 1 -12.771 -32.191 -3.185 4 HA2 GLY 1 HA2 GLY 1 -12.010 -30.065 -4.021 5 HA3 GLY 1 HA3 GLY 1 -13.125 -29.859 -2.681 6 H ALA 2 H ALA 2 -9.982 -29.234 -3.947 7 HA ALA 2 HA ALA 2 -8.874 -28.084 -1.454 8 HB1 ALA 2 HB1 ALA 2 -6.618 -28.256 -2.471 9 HB2 ALA 2 HB2 ALA 2 -7.321 -28.794 -3.994 10 HB3 ALA 2 HB3 ALA 2 -7.434 -29.821 -2.564 11 H MET 3 H MET 3 -8.516 -25.963 -1.102 12 HA MET 3 HA MET 3 -8.950 -23.958 -3.237 13 HB2 MET 3 HB2 MET 3 -9.916 -23.875 -0.355 14 HB3 MET 3 HB3 MET 3 -9.595 -22.354 -1.165 15 HG2 MET 3 HG2 MET 3 -11.253 -22.843 -2.842 16 HG3 MET 3 HG3 MET 3 -11.489 -24.459 -2.193 17 HE1 MET 3 HE1 MET 3 -14.876 -22.619 -1.338 18 HE2 MET 3 HE2 MET 3 -14.140 -24.027 -2.103 19 HE3 MET 3 HE3 MET 3 -13.890 -22.420 -2.787 20 H GLU 4 H GLU 4 -7.723 -22.286 -3.654 21 HA GLU 4 HA GLU 4 -5.158 -21.842 -2.221 22 HB2 GLU 4 HB2 GLU 4 -5.571 -21.553 -5.293 23 HB3 GLU 4 HB3 GLU 4 -4.165 -20.959 -4.418 24 HG2 GLU 4 HG2 GLU 4 -3.506 -23.260 -3.826 25 HG3 GLU 4 HG3 GLU 4 -4.952 -23.901 -4.590 26 H MET 5 H MET 5 -4.146 -19.399 -3.148 27 HA MET 5 HA MET 5 -5.359 -17.430 -1.475 28 HB2 MET 5 HB2 MET 5 -2.980 -17.320 -3.362 29 HB3 MET 5 HB3 MET 5 -3.450 -15.964 -2.378 30 HG2 MET 5 HG2 MET 5 -2.560 -18.643 -1.343 31 HG3 MET 5 HG3 MET 5 -1.637 -17.169 -1.744 32 HE1 MET 5 HE1 MET 5 -0.629 -17.573 0.888 33 HE2 MET 5 HE2 MET 5 -1.772 -18.888 1.160 34 HE3 MET 5 HE3 MET 5 -1.671 -17.556 2.311 35 H GLU 6 H GLU 6 -5.612 -15.161 -1.999 36 HA GLU 6 HA GLU 6 -6.836 -14.488 -4.559 37 HB2 GLU 6 HB2 GLU 6 -9.040 -13.377 -3.637 38 HB3 GLU 6 HB3 GLU 6 -8.992 -15.118 -3.589 39 HG2 GLU 6 HG2 GLU 6 -8.592 -15.011 -1.104 40 HG3 GLU 6 HG3 GLU 6 -8.627 -13.257 -1.183 41 H TYR 7 H TYR 7 -6.079 -12.922 -5.572 42 HA TYR 7 HA TYR 7 -4.997 -10.507 -4.209 43 HB2 TYR 7 HB2 TYR 7 -4.103 -11.678 -6.921 44 HB3 TYR 7 HB3 TYR 7 -3.446 -10.246 -6.206 45 HD1 TYR 7 HD1 TYR 7 -3.578 -13.978 -5.719 46 HD2 TYR 7 HD2 TYR 7 -1.612 -10.341 -4.752 47 HE1 TYR 7 HE1 TYR 7 -1.818 -15.275 -4.763 48 HE2 TYR 7 HE2 TYR 7 0.311 -11.630 -3.800 49 HH TYR 7 HH TYR 7 0.650 -15.007 -4.242 50 H GLU 8 H GLU 8 -5.251 -8.419 -4.979 51 HA GLU 8 HA GLU 8 -7.315 -7.831 -7.055 52 HB2 GLU 8 HB2 GLU 8 -7.521 -7.034 -4.211 53 HB3 GLU 8 HB3 GLU 8 -7.780 -5.688 -5.298 54 HG2 GLU 8 HG2 GLU 8 -9.583 -7.037 -6.404 55 HG3 GLU 8 HG3 GLU 8 -9.309 -8.309 -5.216 56 H GLU 9 H GLU 9 -6.985 -6.358 -8.586 57 HA GLU 9 HA GLU 9 -4.901 -4.365 -8.229 58 HB2 GLU 9 HB2 GLU 9 -4.567 -4.204 -10.775 59 HB3 GLU 9 HB3 GLU 9 -4.165 -5.755 -10.063 60 HG2 GLU 9 HG2 GLU 9 -6.217 -6.779 -11.072 61 HG3 GLU 9 HG3 GLU 9 -6.678 -5.223 -11.745 62 H ILE 10 H ILE 10 -5.482 -2.413 -7.687 63 HA ILE 10 HA ILE 10 -8.028 -1.185 -8.685 64 HB ILE 10 HB ILE 10 -6.669 -0.617 -5.922 65 HG12 ILE 10 HG12 ILE 10 -9.436 -1.909 -5.873 66 HG13 ILE 10 HG13 ILE 10 -8.103 -2.932 -6.370 67 HG21 ILE 10 HG21 ILE 10 -8.054 1.393 -6.573 68 HG22 ILE 10 HG22 ILE 10 -8.843 0.614 -5.199 69 HG23 ILE 10 HG23 ILE 10 -9.476 0.369 -6.836 70 HD11 ILE 10 HD11 ILE 10 -6.985 -2.273 -4.194 71 HD12 ILE 10 HD12 ILE 10 -8.400 -3.354 -4.052 72 HD13 ILE 10 HD13 ILE 10 -8.562 -1.622 -3.667 73 H THR 11 H THR 11 -8.168 1.011 -9.427 74 HA THR 11 HA THR 11 -5.735 2.656 -9.784 75 HB THR 11 HB THR 11 -7.503 3.865 -11.567 76 HG1 THR 11 HG1 THR 11 -7.846 1.584 -12.841 77 HG21 THR 11 HG21 THR 11 -5.366 1.841 -12.273 78 HG22 THR 11 HG22 THR 11 -5.166 3.577 -12.025 79 HG23 THR 11 HG23 THR 11 -6.088 2.991 -13.414 80 H LEU 12 H LEU 12 -5.432 4.552 -8.943 81 HA LEU 12 HA LEU 12 -7.630 6.308 -8.038 82 HB2 LEU 12 HB2 LEU 12 -5.162 5.549 -6.397 83 HB3 LEU 12 HB3 LEU 12 -5.923 7.078 -6.087 84 HG LEU 12 HG LEU 12 -6.546 5.710 -4.317 85 HD11 LEU 12 HD11 LEU 12 -8.936 5.243 -4.271 86 HD12 LEU 12 HD12 LEU 12 -9.004 5.616 -5.991 87 HD13 LEU 12 HD13 LEU 12 -8.492 6.850 -4.846 88 HD21 LEU 12 HD21 LEU 12 -5.822 3.538 -5.016 89 HD22 LEU 12 HD22 LEU 12 -7.182 3.389 -6.130 90 HD23 LEU 12 HD23 LEU 12 -7.467 3.410 -4.390 91 H GLU 13 H GLU 13 -7.364 8.593 -8.068 92 HA GLU 13 HA GLU 13 -5.275 9.734 -9.872 93 HB2 GLU 13 HB2 GLU 13 -8.012 10.973 -9.106 94 HB3 GLU 13 HB3 GLU 13 -6.839 11.737 -10.157 95 HG2 GLU 13 HG2 GLU 13 -7.268 10.027 -11.852 96 HG3 GLU 13 HG3 GLU 13 -8.337 9.185 -10.742 97 H ARG 14 H ARG 14 -3.769 11.108 -9.232 98 HA ARG 14 HA ARG 14 -3.361 11.789 -6.410 99 HB2 ARG 14 HB2 ARG 14 -1.470 10.565 -7.439 100 HB3 ARG 14 HB3 ARG 14 -1.413 11.636 -8.797 101 HG2 ARG 14 HG2 ARG 14 0.665 11.857 -7.475 102 HG3 ARG 14 HG3 ARG 14 -0.218 13.356 -7.354 103 HD2 ARG 14 HD2 ARG 14 -0.239 11.238 -5.154 104 HD3 ARG 14 HD3 ARG 14 0.987 12.495 -5.237 105 HE ARG 14 HE ARG 14 -1.840 13.337 -5.113 106 HH11 ARG 14 HH11 ARG 14 1.183 13.266 -3.084 107 HH12 ARG 14 HH12 ARG 14 0.508 14.339 -1.903 108 HH21 ARG 14 HH21 ARG 14 -2.577 14.725 -3.509 109 HH22 ARG 14 HH22 ARG 14 -1.590 15.147 -2.150 110 H GLY 15 H GLY 15 -3.788 13.572 -5.482 111 HA2 GLY 15 HA2 GLY 15 -3.581 15.881 -4.868 112 HA3 GLY 15 HA3 GLY 15 -2.968 16.227 -6.456 113 H ASN 16 H ASN 16 -6.228 14.757 -6.082 114 HA ASN 16 HA ASN 16 -7.625 17.223 -6.898 115 HB2 ASN 16 HB2 ASN 16 -8.606 14.310 -6.914 116 HB3 ASN 16 HB3 ASN 16 -9.740 15.630 -7.117 117 HD21 ASN 16 HD21 ASN 16 -7.170 13.776 -8.602 118 HD22 ASN 16 HD22 ASN 16 -7.368 14.380 -10.209 119 H SER 17 H SER 17 -7.742 14.949 -4.112 120 HA SER 17 HA SER 17 -9.012 16.985 -2.395 121 HB2 SER 17 HB2 SER 17 -9.926 15.078 -0.917 122 HB3 SER 17 HB3 SER 17 -10.626 15.118 -2.526 123 HG SER 17 HG SER 17 -8.721 13.296 -1.457 124 H GLY 18 H GLY 18 -6.048 14.922 -2.763 125 HA2 GLY 18 HA2 GLY 18 -4.007 15.629 -1.711 126 HA3 GLY 18 HA3 GLY 18 -4.901 15.852 -0.219 127 H LEU 19 H LEU 19 -5.997 13.042 -1.926 128 HA LEU 19 HA LEU 19 -6.248 10.913 -1.513 129 HB2 LEU 19 HB2 LEU 19 -3.277 11.088 -1.961 130 HB3 LEU 19 HB3 LEU 19 -3.868 9.458 -1.536 131 HG LEU 19 HG LEU 19 -4.401 11.230 -3.953 132 HD11 LEU 19 HD11 LEU 19 -2.138 10.462 -3.640 133 HD12 LEU 19 HD12 LEU 19 -2.840 9.679 -5.072 134 HD13 LEU 19 HD13 LEU 19 -2.664 8.807 -3.531 135 HD21 LEU 19 HD21 LEU 19 -5.280 9.200 -5.069 136 HD22 LEU 19 HD22 LEU 19 -6.267 9.637 -3.675 137 HD23 LEU 19 HD23 LEU 19 -5.123 8.285 -3.552 138 H GLY 20 H GLY 20 -7.067 9.467 -0.233 139 HA2 GLY 20 HA2 GLY 20 -7.075 10.208 2.592 140 HA3 GLY 20 HA3 GLY 20 -8.373 9.450 1.714 141 H PHE 21 H PHE 21 -4.868 8.554 2.235 142 HA PHE 21 HA PHE 21 -5.320 6.762 4.369 143 HB2 PHE 21 HB2 PHE 21 -4.494 4.585 3.378 144 HB3 PHE 21 HB3 PHE 21 -5.846 5.117 2.461 145 HD1 PHE 21 HD1 PHE 21 -5.331 6.256 0.046 146 HD2 PHE 21 HD2 PHE 21 -2.501 3.876 2.194 147 HE1 PHE 21 HE1 PHE 21 -4.133 5.856 -2.030 148 HE2 PHE 21 HE2 PHE 21 -1.260 3.478 0.078 149 HZ PHE 21 HZ PHE 21 -2.073 4.466 -2.028 150 H SER 22 H SER 22 -2.835 5.769 5.219 151 HA SER 22 HA SER 22 -0.581 7.143 4.021 152 HB2 SER 22 HB2 SER 22 -1.030 7.003 7.062 153 HB3 SER 22 HB3 SER 22 0.472 7.459 6.242 154 HG SER 22 HG SER 22 -0.838 9.285 6.943 155 H ILE 23 H ILE 23 1.435 5.966 3.999 156 HA ILE 23 HA ILE 23 1.283 3.146 4.781 157 HB ILE 23 HB ILE 23 2.630 2.416 2.723 158 HG12 ILE 23 HG12 ILE 23 1.701 3.389 0.473 159 HG13 ILE 23 HG13 ILE 23 1.065 4.732 1.393 160 HG21 ILE 23 HG21 ILE 23 0.419 1.702 1.732 161 HG22 ILE 23 HG22 ILE 23 -0.201 3.026 2.812 162 HG23 ILE 23 HG23 ILE 23 0.608 1.680 3.540 163 HD11 ILE 23 HD11 ILE 23 3.482 5.430 1.835 164 HD12 ILE 23 HD12 ILE 23 2.974 5.523 0.173 165 HD13 ILE 23 HD13 ILE 23 3.992 4.168 0.692 166 H ALA 24 H ALA 24 2.545 1.838 5.570 167 HA ALA 24 HA ALA 24 5.131 2.930 6.498 168 HB1 ALA 24 HB1 ALA 24 4.862 1.551 8.564 169 HB2 ALA 24 HB2 ALA 24 3.450 0.778 7.908 170 HB3 ALA 24 HB3 ALA 24 3.368 2.481 8.334 171 H GLY 25 H GLY 25 6.906 2.159 5.717 172 HA2 GLY 25 HA2 GLY 25 7.356 -0.634 4.860 173 HA3 GLY 25 HA3 GLY 25 7.540 0.616 3.646 174 H GLY 26 H GLY 26 9.663 -1.051 4.103 175 HA2 GLY 26 HA2 GLY 26 11.842 0.592 4.814 176 HA3 GLY 26 HA3 GLY 26 11.401 -0.220 6.282 177 H THR 27 H THR 27 13.612 -0.084 3.972 178 HA THR 27 HA THR 27 14.521 -2.767 4.695 179 HB THR 27 HB THR 27 16.626 -2.291 3.082 180 HG1 THR 27 HG1 THR 27 14.826 -0.705 1.659 181 HG21 THR 27 HG21 THR 27 15.120 -4.133 2.695 182 HG22 THR 27 HG22 THR 27 15.476 -3.353 1.155 183 HG23 THR 27 HG23 THR 27 13.930 -3.064 1.957 184 H ASP 28 H ASP 28 15.526 0.624 5.084 185 HA ASP 28 HA ASP 28 17.736 -0.131 6.874 186 HB2 ASP 28 HB2 ASP 28 17.371 2.518 5.357 187 HB3 ASP 28 HB3 ASP 28 18.526 2.381 6.665 188 H ASN 29 H ASN 29 14.680 1.741 6.861 189 HA ASN 29 HA ASN 29 14.886 2.564 9.674 190 HB2 ASN 29 HB2 ASN 29 14.446 4.372 7.792 191 HB3 ASN 29 HB3 ASN 29 12.858 3.684 7.619 192 HD21 ASN 29 HD21 ASN 29 14.934 5.710 9.565 193 HD22 ASN 29 HD22 ASN 29 13.715 6.354 10.606 194 HA PRO 30 HA PRO 30 11.719 -0.871 10.776 195 HB2 PRO 30 HB2 PRO 30 11.509 0.192 13.513 196 HB3 PRO 30 HB3 PRO 30 12.105 -1.368 12.973 197 HG2 PRO 30 HG2 PRO 30 13.792 0.536 13.979 198 HG3 PRO 30 HG3 PRO 30 14.301 -0.671 12.791 199 HD2 PRO 30 HD2 PRO 30 13.680 2.253 12.349 200 HD3 PRO 30 HD3 PRO 30 14.883 1.204 11.599 201 H HIS 31 H HIS 31 9.506 -1.229 11.030 202 HA HIS 31 HA HIS 31 7.648 0.919 11.709 203 HB2 HIS 31 HB2 HIS 31 6.700 0.607 9.576 204 HB3 HIS 31 HB3 HIS 31 7.590 -0.864 9.324 205 HD1 HIS 31 HD1 HIS 31 4.192 0.251 10.824 206 HD2 HIS 31 HD2 HIS 31 5.960 -3.081 9.113 207 HE1 HIS 31 HE1 HIS 31 2.334 -1.438 10.589 208 HE2 HIS 31 HE2 HIS 31 3.405 -3.410 9.459 209 H ILE 32 H ILE 32 8.522 -2.421 12.507 210 HA ILE 32 HA ILE 32 6.547 -2.610 14.672 211 HB ILE 32 HB ILE 32 6.096 -5.215 14.165 212 HG12 ILE 32 HG12 ILE 32 5.869 -5.805 11.647 213 HG13 ILE 32 HG13 ILE 32 6.854 -4.414 11.277 214 HG21 ILE 32 HG21 ILE 32 4.210 -4.761 12.743 215 HG22 ILE 32 HG22 ILE 32 5.024 -3.245 12.343 216 HG23 ILE 32 HG23 ILE 32 4.426 -3.488 14.017 217 HD11 ILE 32 HD11 ILE 32 8.646 -5.452 12.517 218 HD12 ILE 32 HD12 ILE 32 8.155 -6.319 11.027 219 HD13 ILE 32 HD13 ILE 32 7.694 -6.949 12.661 220 H GLY 33 H GLY 33 9.384 -4.282 13.510 221 HA2 GLY 33 HA2 GLY 33 10.966 -4.165 15.857 222 HA3 GLY 33 HA3 GLY 33 10.324 -5.809 15.632 223 H ASP 34 H ASP 34 11.124 -3.520 13.101 224 HA ASP 34 HA ASP 34 12.568 -3.138 11.471 225 HB2 ASP 34 HB2 ASP 34 14.674 -3.689 13.029 226 HB3 ASP 34 HB3 ASP 34 14.646 -5.314 12.390 227 H ASP 35 H ASP 35 10.859 -3.532 10.428 228 HA ASP 35 HA ASP 35 9.801 -5.872 9.320 229 HB2 ASP 35 HB2 ASP 35 8.024 -4.431 8.434 230 HB3 ASP 35 HB3 ASP 35 8.691 -3.639 9.775 231 HA PRO 36 HA PRO 36 11.980 -6.564 5.126 232 HB2 PRO 36 HB2 PRO 36 10.383 -8.960 4.509 233 HB3 PRO 36 HB3 PRO 36 12.087 -8.873 4.949 234 HG2 PRO 36 HG2 PRO 36 10.152 -9.980 6.569 235 HG3 PRO 36 HG3 PRO 36 11.657 -9.278 7.182 236 HD2 PRO 36 HD2 PRO 36 8.897 -8.070 7.080 237 HD3 PRO 36 HD3 PRO 36 10.094 -8.014 8.394 238 H SER 37 H SER 37 8.316 -7.010 5.011 239 HA SER 37 HA SER 37 8.033 -5.846 2.309 240 HB2 SER 37 HB2 SER 37 5.712 -6.964 2.276 241 HB3 SER 37 HB3 SER 37 7.038 -8.101 2.438 242 HG SER 37 HG SER 37 5.070 -8.309 3.878 243 H ILE 38 H ILE 38 5.976 -4.423 1.753 244 HA ILE 38 HA ILE 38 5.617 -2.277 3.750 245 HB ILE 38 HB ILE 38 4.552 -1.936 0.854 246 HG12 ILE 38 HG12 ILE 38 6.771 -2.034 -0.284 247 HG13 ILE 38 HG13 ILE 38 6.796 -0.474 0.295 248 HG21 ILE 38 HG21 ILE 38 3.797 -0.130 2.131 249 HG22 ILE 38 HG22 ILE 38 4.955 0.510 0.968 250 HG23 ILE 38 HG23 ILE 38 5.431 0.298 2.651 251 HD11 ILE 38 HD11 ILE 38 8.239 -2.576 1.907 252 HD12 ILE 38 HD12 ILE 38 8.359 -0.821 2.072 253 HD13 ILE 38 HD13 ILE 38 8.977 -1.625 0.625 254 H PHE 39 H PHE 39 3.731 -1.726 4.821 255 HA PHE 39 HA PHE 39 1.222 -3.299 4.501 256 HB2 PHE 39 HB2 PHE 39 2.638 -2.713 7.201 257 HB3 PHE 39 HB3 PHE 39 1.037 -3.376 7.082 258 HD1 PHE 39 HD1 PHE 39 0.829 -5.892 6.341 259 HD2 PHE 39 HD2 PHE 39 4.603 -4.084 7.231 260 HE1 PHE 39 HE1 PHE 39 1.829 -8.121 6.690 261 HE2 PHE 39 HE2 PHE 39 5.582 -6.295 7.617 262 HZ PHE 39 HZ PHE 39 4.200 -8.328 7.326 263 H ILE 40 H ILE 40 -0.889 -2.231 5.184 264 HA ILE 40 HA ILE 40 -0.909 0.648 5.573 265 HB ILE 40 HB ILE 40 -3.512 -0.917 5.731 266 HG12 ILE 40 HG12 ILE 40 -2.639 -2.098 3.668 267 HG13 ILE 40 HG13 ILE 40 -4.014 -1.128 3.235 268 HG21 ILE 40 HG21 ILE 40 -3.851 1.409 6.006 269 HG22 ILE 40 HG22 ILE 40 -4.653 0.865 4.541 270 HG23 ILE 40 HG23 ILE 40 -3.138 1.772 4.416 271 HD11 ILE 40 HD11 ILE 40 -2.529 0.501 2.260 272 HD12 ILE 40 HD12 ILE 40 -2.203 -1.113 1.489 273 HD13 ILE 40 HD13 ILE 40 -1.151 -0.417 2.804 274 H THR 41 H THR 41 -1.787 1.673 7.251 275 HA THR 41 HA THR 41 -2.484 0.546 9.824 276 HB THR 41 HB THR 41 -0.668 2.090 11.148 277 HG1 THR 41 HG1 THR 41 0.679 2.894 9.771 278 HG21 THR 41 HG21 THR 41 0.837 0.166 11.475 279 HG22 THR 41 HG22 THR 41 0.108 -0.637 10.096 280 HG23 THR 41 HG23 THR 41 -0.860 -0.334 11.551 281 H LYS 42 H LYS 42 -2.404 3.527 7.781 282 HA LYS 42 HA LYS 42 -4.357 4.709 9.634 283 HB2 LYS 42 HB2 LYS 42 -1.924 5.856 9.548 284 HB3 LYS 42 HB3 LYS 42 -2.458 6.503 8.025 285 HG2 LYS 42 HG2 LYS 42 -4.176 7.116 10.400 286 HG3 LYS 42 HG3 LYS 42 -2.572 7.845 10.352 287 HD2 LYS 42 HD2 LYS 42 -3.139 8.885 8.167 288 HD3 LYS 42 HD3 LYS 42 -4.745 8.144 8.257 289 HE2 LYS 42 HE2 LYS 42 -5.303 9.393 10.185 290 HE3 LYS 42 HE3 LYS 42 -3.635 9.982 10.348 291 HZ1 LYS 42 HZ1 LYS 42 -3.962 11.224 8.285 292 HZ2 LYS 42 HZ2 LYS 42 -5.113 11.676 9.437 293 HZ3 LYS 42 HZ3 LYS 42 -5.549 10.647 8.168 294 H ILE 43 H ILE 43 -6.294 5.138 8.843 295 HA ILE 43 HA ILE 43 -6.766 5.596 6.014 296 HB ILE 43 HB ILE 43 -8.507 3.808 7.877 297 HG12 ILE 43 HG12 ILE 43 -6.858 2.272 6.857 298 HG13 ILE 43 HG13 ILE 43 -8.347 1.871 6.165 299 HG21 ILE 43 HG21 ILE 43 -9.688 4.643 5.244 300 HG22 ILE 43 HG22 ILE 43 -10.301 4.959 6.869 301 HG23 ILE 43 HG23 ILE 43 -10.325 3.305 6.226 302 HD11 ILE 43 HD11 ILE 43 -7.673 3.028 3.979 303 HD12 ILE 43 HD12 ILE 43 -6.510 1.777 4.471 304 HD13 ILE 43 HD13 ILE 43 -6.142 3.460 4.747 305 H ILE 44 H ILE 44 -7.794 7.564 5.508 306 HA ILE 44 HA ILE 44 -8.915 9.265 7.560 307 HB ILE 44 HB ILE 44 -8.383 9.899 4.514 308 HG12 ILE 44 HG12 ILE 44 -6.833 11.769 5.416 309 HG13 ILE 44 HG13 ILE 44 -6.904 10.919 6.965 310 HG21 ILE 44 HG21 ILE 44 -10.266 11.307 5.040 311 HG22 ILE 44 HG22 ILE 44 -8.797 12.279 4.771 312 HG23 ILE 44 HG23 ILE 44 -9.383 11.993 6.427 313 HD11 ILE 44 HD11 ILE 44 -4.852 10.457 5.688 314 HD12 ILE 44 HD12 ILE 44 -5.923 9.879 4.351 315 HD13 ILE 44 HD13 ILE 44 -5.918 9.034 5.898 316 HA PRO 45 HA PRO 45 -13.422 7.965 7.271 317 HB2 PRO 45 HB2 PRO 45 -14.176 10.570 8.554 318 HB3 PRO 45 HB3 PRO 45 -14.481 8.926 9.113 319 HG2 PRO 45 HG2 PRO 45 -12.660 10.431 10.346 320 HG3 PRO 45 HG3 PRO 45 -12.339 8.712 10.050 321 HD2 PRO 45 HD2 PRO 45 -11.343 11.099 8.472 322 HD3 PRO 45 HD3 PRO 45 -10.409 9.724 9.061 323 H GLY 46 H GLY 46 -12.547 11.106 5.784 324 HA2 GLY 46 HA2 GLY 46 -14.759 10.938 3.811 325 HA3 GLY 46 HA3 GLY 46 -14.317 12.478 4.521 326 H GLY 47 H GLY 47 -12.104 9.825 3.263 327 HA2 GLY 47 HA2 GLY 47 -10.882 11.582 1.230 328 HA3 GLY 47 HA3 GLY 47 -10.215 10.088 1.846 329 H ALA 48 H ALA 48 -9.830 10.113 -0.667 330 HA ALA 48 HA ALA 48 -11.958 9.334 -2.467 331 HB1 ALA 48 HB1 ALA 48 -10.155 10.912 -3.183 332 HB2 ALA 48 HB2 ALA 48 -10.311 9.535 -4.271 333 HB3 ALA 48 HB3 ALA 48 -8.991 9.586 -3.103 334 H ALA 49 H ALA 49 -9.259 7.479 -0.892 335 HA ALA 49 HA ALA 49 -9.656 4.993 -2.349 336 HB1 ALA 49 HB1 ALA 49 -7.823 4.093 -1.090 337 HB2 ALA 49 HB2 ALA 49 -7.881 5.447 0.050 338 HB3 ALA 49 HB3 ALA 49 -7.425 5.723 -1.639 339 H ALA 50 H ALA 50 -10.917 6.195 0.750 340 HA ALA 50 HA ALA 50 -11.886 3.681 1.849 341 HB1 ALA 50 HB1 ALA 50 -12.377 6.516 2.891 342 HB2 ALA 50 HB2 ALA 50 -11.020 5.506 3.355 343 HB3 ALA 50 HB3 ALA 50 -12.657 5.023 3.787 344 H GLN 51 H GLN 51 -13.507 6.628 0.318 345 HA GLN 51 HA GLN 51 -16.163 5.462 0.267 346 HB2 GLN 51 HB2 GLN 51 -15.262 8.245 -0.617 347 HB3 GLN 51 HB3 GLN 51 -16.932 7.722 -0.650 348 HG2 GLN 51 HG2 GLN 51 -16.623 7.371 1.926 349 HG3 GLN 51 HG3 GLN 51 -15.173 8.273 1.738 350 HE21 GLN 51 HE21 GLN 51 -17.630 8.881 3.282 351 HE22 GLN 51 HE22 GLN 51 -18.119 10.474 2.828 352 H ASP 52 H ASP 52 -13.923 6.758 -2.485 353 HA ASP 52 HA ASP 52 -15.722 5.769 -4.532 354 HB2 ASP 52 HB2 ASP 52 -13.509 7.792 -4.491 355 HB3 ASP 52 HB3 ASP 52 -13.950 7.093 -6.024 356 H GLY 53 H GLY 53 -12.404 4.804 -3.421 357 HA2 GLY 53 HA2 GLY 53 -11.639 3.328 -5.850 358 HA3 GLY 53 HA3 GLY 53 -10.669 3.540 -4.420 359 H ARG 54 H ARG 54 -12.178 2.303 -2.406 360 HA ARG 54 HA ARG 54 -12.810 0.624 -1.317 361 HB2 ARG 54 HB2 ARG 54 -13.513 -0.778 -3.874 362 HB3 ARG 54 HB3 ARG 54 -13.538 -1.767 -2.426 363 HG2 ARG 54 HG2 ARG 54 -15.843 -1.180 -2.653 364 HG3 ARG 54 HG3 ARG 54 -15.287 0.081 -1.577 365 HD2 ARG 54 HD2 ARG 54 -16.734 1.140 -3.191 366 HD3 ARG 54 HD3 ARG 54 -15.101 1.594 -3.652 367 HE ARG 54 HE ARG 54 -15.691 -0.652 -5.185 368 HH11 ARG 54 HH11 ARG 54 -17.299 2.616 -5.202 369 HH12 ARG 54 HH12 ARG 54 -17.804 2.444 -6.849 370 HH21 ARG 54 HH21 ARG 54 -16.409 -0.739 -7.309 371 HH22 ARG 54 HH22 ARG 54 -17.302 0.564 -8.020 372 H LEU 55 H LEU 55 -10.544 1.189 -0.855 373 HA LEU 55 HA LEU 55 -9.086 -1.252 -0.213 374 HB2 LEU 55 HB2 LEU 55 -7.695 0.257 -1.441 375 HB3 LEU 55 HB3 LEU 55 -8.213 1.678 -0.568 376 HG LEU 55 HG LEU 55 -6.712 0.043 1.262 377 HD11 LEU 55 HD11 LEU 55 -5.787 -1.175 -0.627 378 HD12 LEU 55 HD12 LEU 55 -4.565 -0.175 0.158 379 HD13 LEU 55 HD13 LEU 55 -5.281 0.344 -1.367 380 HD21 LEU 55 HD21 LEU 55 -6.986 2.412 1.188 381 HD22 LEU 55 HD22 LEU 55 -6.024 2.511 -0.271 382 HD23 LEU 55 HD23 LEU 55 -5.259 2.001 1.264 383 H ARG 56 H ARG 56 -9.010 -2.012 1.756 384 HA ARG 56 HA ARG 56 -9.676 -0.482 4.191 385 HB2 ARG 56 HB2 ARG 56 -10.040 -3.524 3.673 386 HB3 ARG 56 HB3 ARG 56 -10.043 -2.901 5.293 387 HG2 ARG 56 HG2 ARG 56 -12.052 -1.608 4.748 388 HG3 ARG 56 HG3 ARG 56 -12.036 -2.338 3.128 389 HD2 ARG 56 HD2 ARG 56 -12.015 -4.511 4.078 390 HD3 ARG 56 HD3 ARG 56 -11.933 -3.791 5.685 391 HE ARG 56 HE ARG 56 -14.285 -2.826 4.404 392 HH11 ARG 56 HH11 ARG 56 -13.500 -6.078 5.860 393 HH12 ARG 56 HH12 ARG 56 -15.171 -6.461 6.104 394 HH21 ARG 56 HH21 ARG 56 -16.413 -3.459 4.779 395 HH22 ARG 56 HH22 ARG 56 -16.792 -4.990 5.496 396 H VAL 57 H VAL 57 -8.362 -0.844 6.186 397 HA VAL 57 HA VAL 57 -5.546 -0.689 5.972 398 HB VAL 57 HB VAL 57 -7.342 0.159 7.596 399 HG11 VAL 57 HG11 VAL 57 -7.197 -2.233 9.034 400 HG12 VAL 57 HG12 VAL 57 -8.415 -0.900 8.847 401 HG13 VAL 57 HG13 VAL 57 -7.029 -0.713 9.974 402 HG21 VAL 57 HG21 VAL 57 -5.680 0.705 9.441 403 HG22 VAL 57 HG22 VAL 57 -5.632 1.242 7.757 404 HG23 VAL 57 HG23 VAL 57 -4.535 -0.075 8.279 405 H ASN 58 H ASN 58 -7.404 -3.499 6.409 406 HA ASN 58 HA ASN 58 -5.302 -5.351 7.097 407 HB2 ASN 58 HB2 ASN 58 -7.613 -5.178 8.196 408 HB3 ASN 58 HB3 ASN 58 -8.311 -5.904 6.768 409 HD21 ASN 58 HD21 ASN 58 -8.013 -8.186 6.422 410 HD22 ASN 58 HD22 ASN 58 -7.453 -9.254 7.660 411 H ASP 59 H ASP 59 -5.892 -3.920 4.028 412 HA ASP 59 HA ASP 59 -6.083 -6.340 2.386 413 HB2 ASP 59 HB2 ASP 59 -6.518 -3.453 1.719 414 HB3 ASP 59 HB3 ASP 59 -5.926 -4.458 0.412 415 H SER 60 H SER 60 -3.450 -4.084 3.202 416 HA SER 60 HA SER 60 -1.229 -3.804 2.706 417 HB2 SER 60 HB2 SER 60 -1.248 -5.707 4.397 418 HB3 SER 60 HB3 SER 60 -1.170 -6.847 3.061 419 HG SER 60 HG SER 60 0.918 -6.655 3.740 420 H ILE 61 H ILE 61 0.146 -3.211 1.123 421 HA ILE 61 HA ILE 61 -0.256 -4.211 -1.616 422 HB ILE 61 HB ILE 61 1.594 -1.750 -0.906 423 HG12 ILE 61 HG12 ILE 61 -1.270 -1.320 -2.014 424 HG13 ILE 61 HG13 ILE 61 -1.039 -1.515 -0.294 425 HG21 ILE 61 HG21 ILE 61 0.345 -2.426 -3.640 426 HG22 ILE 61 HG22 ILE 61 2.033 -2.631 -3.223 427 HG23 ILE 61 HG23 ILE 61 1.351 -1.008 -3.313 428 HD11 ILE 61 HD11 ILE 61 0.298 0.608 -0.253 429 HD12 ILE 61 HD12 ILE 61 -1.322 0.874 -0.912 430 HD13 ILE 61 HD13 ILE 61 0.062 0.755 -2.000 431 H LEU 62 H LEU 62 1.020 -5.627 -2.845 432 HA LEU 62 HA LEU 62 3.801 -6.218 -2.032 433 HB2 LEU 62 HB2 LEU 62 3.720 -8.208 -3.545 434 HB3 LEU 62 HB3 LEU 62 2.497 -8.319 -2.293 435 HG LEU 62 HG LEU 62 1.758 -7.574 -5.153 436 HD11 LEU 62 HD11 LEU 62 2.057 -10.289 -3.950 437 HD12 LEU 62 HD12 LEU 62 2.999 -9.595 -5.295 438 HD13 LEU 62 HD13 LEU 62 1.260 -9.925 -5.481 439 HD21 LEU 62 HD21 LEU 62 -0.380 -8.595 -4.577 440 HD22 LEU 62 HD22 LEU 62 0.012 -7.317 -3.427 441 HD23 LEU 62 HD23 LEU 62 0.230 -9.008 -2.976 442 H PHE 63 H PHE 63 1.969 -5.000 -4.860 443 HA PHE 63 HA PHE 63 4.509 -3.923 -5.991 444 HB2 PHE 63 HB2 PHE 63 2.493 -5.593 -7.594 445 HB3 PHE 63 HB3 PHE 63 3.606 -4.509 -8.421 446 HD1 PHE 63 HD1 PHE 63 3.448 -7.563 -6.255 447 HD2 PHE 63 HD2 PHE 63 5.872 -5.210 -8.816 448 HE1 PHE 63 HE1 PHE 63 5.036 -9.353 -6.273 449 HE2 PHE 63 HE2 PHE 63 7.559 -6.866 -8.842 450 HZ PHE 63 HZ PHE 63 7.206 -9.079 -7.596 451 H VAL 64 H VAL 64 4.518 -1.778 -6.856 452 HA VAL 64 HA VAL 64 1.981 -0.643 -7.521 453 HB VAL 64 HB VAL 64 2.861 1.673 -6.976 454 HG11 VAL 64 HG11 VAL 64 1.682 1.748 -4.723 455 HG12 VAL 64 HG12 VAL 64 1.606 -0.019 -4.844 456 HG13 VAL 64 HG13 VAL 64 0.836 0.995 -6.074 457 HG21 VAL 64 HG21 VAL 64 3.900 1.981 -4.619 458 HG22 VAL 64 HG22 VAL 64 4.965 1.553 -5.931 459 HG23 VAL 64 HG23 VAL 64 4.454 0.301 -4.780 460 H ASN 65 H ASN 65 1.629 0.912 -9.066 461 HA ASN 65 HA ASN 65 1.684 1.708 -11.001 462 HB2 ASN 65 HB2 ASN 65 4.775 1.825 -10.676 463 HB3 ASN 65 HB3 ASN 65 4.316 2.176 -12.291 464 HD21 ASN 65 HD21 ASN 65 5.783 3.786 -10.548 465 HD22 ASN 65 HD22 ASN 65 4.918 5.234 -10.177 466 H GLU 66 H GLU 66 4.524 -0.341 -11.713 467 HA GLU 66 HA GLU 66 3.365 -2.845 -12.543 468 HB2 GLU 66 HB2 GLU 66 5.069 -1.203 -14.599 469 HB3 GLU 66 HB3 GLU 66 4.910 -2.931 -14.735 470 HG2 GLU 66 HG2 GLU 66 2.550 -1.006 -14.989 471 HG3 GLU 66 HG3 GLU 66 3.526 -1.500 -16.356 472 H VAL 67 H VAL 67 5.292 -1.295 -10.421 473 HA VAL 67 HA VAL 67 7.821 -2.614 -10.726 474 HB VAL 67 HB VAL 67 8.946 -0.816 -9.577 475 HG11 VAL 67 HG11 VAL 67 8.992 -0.849 -11.816 476 HG12 VAL 67 HG12 VAL 67 9.159 0.845 -11.254 477 HG13 VAL 67 HG13 VAL 67 7.605 0.272 -11.969 478 HG21 VAL 67 HG21 VAL 67 7.285 0.211 -8.233 479 HG22 VAL 67 HG22 VAL 67 6.467 1.021 -9.635 480 HG23 VAL 67 HG23 VAL 67 8.121 1.503 -9.113 481 H ASP 68 H ASP 68 9.202 -2.907 -9.057 482 HA ASP 68 HA ASP 68 7.936 -4.507 -7.181 483 HB2 ASP 68 HB2 ASP 68 9.598 -5.570 -8.682 484 HB3 ASP 68 HB3 ASP 68 10.878 -4.563 -8.016 485 H VAL 69 H VAL 69 7.606 -3.835 -5.312 486 HA VAL 69 HA VAL 69 9.381 -2.093 -3.767 487 HB VAL 69 HB VAL 69 7.633 -1.173 -2.273 488 HG11 VAL 69 HG11 VAL 69 7.210 -0.400 -5.087 489 HG12 VAL 69 HG12 VAL 69 8.292 0.208 -3.801 490 HG13 VAL 69 HG13 VAL 69 6.550 0.355 -3.598 491 HG21 VAL 69 HG21 VAL 69 5.824 -2.423 -2.024 492 HG22 VAL 69 HG22 VAL 69 5.584 -2.806 -3.755 493 HG23 VAL 69 HG23 VAL 69 5.111 -1.213 -3.112 494 H ARG 70 H ARG 70 8.472 -5.243 -3.581 495 HA ARG 70 HA ARG 70 8.427 -5.923 -0.857 496 HB2 ARG 70 HB2 ARG 70 9.022 -8.307 -1.448 497 HB3 ARG 70 HB3 ARG 70 7.622 -7.663 -2.286 498 HG2 ARG 70 HG2 ARG 70 9.058 -7.523 -4.366 499 HG3 ARG 70 HG3 ARG 70 10.397 -8.217 -3.451 500 HD2 ARG 70 HD2 ARG 70 9.047 -10.237 -3.043 501 HD3 ARG 70 HD3 ARG 70 7.731 -9.540 -3.985 502 HE ARG 70 HE ARG 70 10.002 -9.546 -5.623 503 HH11 ARG 70 HH11 ARG 70 7.935 -12.275 -4.366 504 HH12 ARG 70 HH12 ARG 70 8.358 -13.310 -5.689 505 HH21 ARG 70 HH21 ARG 70 10.463 -10.999 -7.280 506 HH22 ARG 70 HH22 ARG 70 9.772 -12.587 -7.312 507 H GLU 71 H GLU 71 11.307 -4.824 -2.250 508 HA GLU 71 HA GLU 71 12.854 -4.979 0.158 509 HB2 GLU 71 HB2 GLU 71 13.575 -7.134 -1.227 510 HB3 GLU 71 HB3 GLU 71 14.305 -6.037 -2.391 511 HG2 GLU 71 HG2 GLU 71 15.946 -5.331 -0.624 512 HG3 GLU 71 HG3 GLU 71 15.189 -6.442 0.506 513 H VAL 72 H VAL 72 12.048 -2.828 0.041 514 HA VAL 72 HA VAL 72 13.877 -0.848 -1.063 515 HB VAL 72 HB VAL 72 12.335 0.730 -2.067 516 HG11 VAL 72 HG11 VAL 72 11.478 -1.762 -3.331 517 HG12 VAL 72 HG12 VAL 72 12.840 -0.698 -3.723 518 HG13 VAL 72 HG13 VAL 72 11.173 -0.139 -3.956 519 HG21 VAL 72 HG21 VAL 72 10.382 0.822 -0.612 520 HG22 VAL 72 HG22 VAL 72 9.780 -0.726 -1.211 521 HG23 VAL 72 HG23 VAL 72 9.804 0.696 -2.275 522 H THR 73 H THR 73 13.782 1.345 -0.023 523 HA THR 73 HA THR 73 13.060 1.507 2.828 524 HB THR 73 HB THR 73 13.720 4.082 2.470 525 HG1 THR 73 HG1 THR 73 14.342 4.678 0.614 526 HG21 THR 73 HG21 THR 73 16.116 3.663 2.748 527 HG22 THR 73 HG22 THR 73 15.847 1.946 2.367 528 HG23 THR 73 HG23 THR 73 15.094 2.687 3.802 529 H HIS 74 H HIS 74 11.691 3.392 3.793 530 HA HIS 74 HA HIS 74 8.993 3.518 2.834 531 HB2 HIS 74 HB2 HIS 74 8.381 5.171 4.666 532 HB3 HIS 74 HB3 HIS 74 9.396 3.872 5.243 533 HD1 HIS 74 HD1 HIS 74 8.857 7.340 5.826 534 HD2 HIS 74 HD2 HIS 74 12.342 5.073 5.531 535 HE1 HIS 74 HE1 HIS 74 10.626 8.639 7.086 536 HE2 HIS 74 HE2 HIS 74 12.732 7.283 6.823 537 H SER 75 H SER 75 11.338 6.146 2.552 538 HA SER 75 HA SER 75 9.921 8.090 0.973 539 HB2 SER 75 HB2 SER 75 12.953 7.686 1.164 540 HB3 SER 75 HB3 SER 75 12.217 9.064 0.355 541 HG SER 75 HG SER 75 12.734 9.635 2.472 542 H ALA 76 H ALA 76 11.802 5.249 -0.169 543 HA ALA 76 HA ALA 76 11.684 5.535 -3.020 544 HB1 ALA 76 HB1 ALA 76 13.410 4.212 -1.854 545 HB2 ALA 76 HB2 ALA 76 12.543 3.202 -3.032 546 HB3 ALA 76 HB3 ALA 76 12.157 3.103 -1.307 547 H ALA 77 H ALA 77 9.258 4.228 -0.651 548 HA ALA 77 HA ALA 77 7.505 2.942 -2.619 549 HB1 ALA 77 HB1 ALA 77 7.886 1.849 -0.431 550 HB2 ALA 77 HB2 ALA 77 6.166 2.241 -0.644 551 HB3 ALA 77 HB3 ALA 77 7.198 3.263 0.375 552 H VAL 78 H VAL 78 7.606 5.993 -0.714 553 HA VAL 78 HA VAL 78 5.005 7.223 -1.530 554 HB VAL 78 HB VAL 78 7.508 8.546 -0.110 555 HG11 VAL 78 HG11 VAL 78 4.721 9.750 -0.145 556 HG12 VAL 78 HG12 VAL 78 6.053 10.366 -1.141 557 HG13 VAL 78 HG13 VAL 78 6.149 10.444 0.632 558 HG21 VAL 78 HG21 VAL 78 4.861 7.834 1.015 559 HG22 VAL 78 HG22 VAL 78 6.213 8.542 1.924 560 HG23 VAL 78 HG23 VAL 78 6.347 6.889 1.244 561 H GLU 79 H GLU 79 8.396 7.565 -2.825 562 HA GLU 79 HA GLU 79 8.081 9.496 -4.903 563 HB2 GLU 79 HB2 GLU 79 10.169 7.402 -4.449 564 HB3 GLU 79 HB3 GLU 79 10.257 8.371 -5.906 565 HG2 GLU 79 HG2 GLU 79 10.301 10.439 -4.448 566 HG3 GLU 79 HG3 GLU 79 10.354 9.338 -3.072 567 H ALA 80 H ALA 80 7.352 6.049 -5.062 568 HA ALA 80 HA ALA 80 6.807 5.751 -7.892 569 HB1 ALA 80 HB1 ALA 80 5.847 4.112 -5.520 570 HB2 ALA 80 HB2 ALA 80 7.343 3.833 -6.403 571 HB3 ALA 80 HB3 ALA 80 5.787 3.595 -7.210 572 H LEU 81 H LEU 81 4.903 7.047 -5.078 573 HA LEU 81 HA LEU 81 2.389 7.197 -6.502 574 HB2 LEU 81 HB2 LEU 81 2.769 7.887 -3.554 575 HB3 LEU 81 HB3 LEU 81 1.266 7.585 -4.371 576 HG LEU 81 HG LEU 81 3.323 5.570 -3.370 577 HD11 LEU 81 HD11 LEU 81 0.467 5.879 -2.777 578 HD12 LEU 81 HD12 LEU 81 1.877 6.251 -1.756 579 HD13 LEU 81 HD13 LEU 81 1.519 4.571 -2.218 580 HD21 LEU 81 HD21 LEU 81 2.743 4.682 -5.459 581 HD22 LEU 81 HD22 LEU 81 0.990 4.792 -5.162 582 HD23 LEU 81 HD23 LEU 81 2.000 3.651 -4.230 583 H LYS 82 H LYS 82 4.838 9.427 -5.317 584 HA LYS 82 HA LYS 82 3.436 11.945 -5.830 585 HB2 LYS 82 HB2 LYS 82 6.338 11.435 -4.939 586 HB3 LYS 82 HB3 LYS 82 5.686 13.038 -5.140 587 HG2 LYS 82 HG2 LYS 82 4.529 11.089 -3.079 588 HG3 LYS 82 HG3 LYS 82 5.953 12.035 -2.721 589 HD2 LYS 82 HD2 LYS 82 3.262 13.310 -3.436 590 HD3 LYS 82 HD3 LYS 82 3.660 12.758 -1.815 591 HE2 LYS 82 HE2 LYS 82 5.291 14.896 -3.277 592 HE3 LYS 82 HE3 LYS 82 3.915 15.301 -2.259 593 HZ1 LYS 82 HZ1 LYS 82 5.110 14.312 -0.363 594 HZ2 LYS 82 HZ2 LYS 82 6.015 15.558 -1.061 595 HZ3 LYS 82 HZ3 LYS 82 6.426 13.946 -1.365 596 H GLU 83 H GLU 83 6.000 10.045 -7.501 597 HA GLU 83 HA GLU 83 6.432 12.067 -9.625 598 HB2 GLU 83 HB2 GLU 83 7.834 9.573 -9.049 599 HB3 GLU 83 HB3 GLU 83 8.188 10.368 -10.585 600 HG2 GLU 83 HG2 GLU 83 8.497 12.400 -9.342 601 HG3 GLU 83 HG3 GLU 83 8.437 11.481 -7.852 602 H ALA 84 H ALA 84 4.412 9.295 -9.676 603 HA ALA 84 HA ALA 84 4.358 8.640 -12.497 604 HB1 ALA 84 HB1 ALA 84 2.339 7.332 -12.138 605 HB2 ALA 84 HB2 ALA 84 1.933 8.236 -10.703 606 HB3 ALA 84 HB3 ALA 84 3.341 7.170 -10.698 607 H GLY 85 H GLY 85 2.788 11.319 -10.934 608 HA2 GLY 85 HA2 GLY 85 2.848 13.472 -12.281 609 HA3 GLY 85 HA3 GLY 85 2.190 12.436 -13.537 610 H SER 86 H SER 86 0.000 11.267 -12.198 611 HA SER 86 HA SER 86 -1.997 13.050 -11.198 612 HB2 SER 86 HB2 SER 86 -1.739 14.018 -13.495 613 HB3 SER 86 HB3 SER 86 -2.271 12.511 -14.221 614 HG SER 86 HG SER 86 -4.333 13.157 -13.892 615 H ILE 87 H ILE 87 -1.171 9.986 -12.848 616 HA ILE 87 HA ILE 87 -3.410 8.556 -11.559 617 HB ILE 87 HB ILE 87 -2.412 7.710 -14.377 618 HG12 ILE 87 HG12 ILE 87 -3.681 9.791 -14.756 619 HG13 ILE 87 HG13 ILE 87 -4.574 8.499 -15.537 620 HG21 ILE 87 HG21 ILE 87 -4.796 6.447 -13.026 621 HG22 ILE 87 HG22 ILE 87 -3.211 5.747 -13.252 622 HG23 ILE 87 HG23 ILE 87 -4.245 6.041 -14.681 623 HD11 ILE 87 HD11 ILE 87 -5.347 10.021 -12.962 624 HD12 ILE 87 HD12 ILE 87 -6.293 8.729 -13.642 625 HD13 ILE 87 HD13 ILE 87 -6.102 10.234 -14.548 626 H VAL 88 H VAL 88 -2.995 7.091 -10.331 627 HA VAL 88 HA VAL 88 -0.561 5.487 -10.320 628 HB VAL 88 HB VAL 88 -0.320 5.413 -7.818 629 HG11 VAL 88 HG11 VAL 88 0.184 8.141 -9.012 630 HG12 VAL 88 HG12 VAL 88 1.290 6.802 -8.944 631 HG13 VAL 88 HG13 VAL 88 0.840 7.637 -7.472 632 HG21 VAL 88 HG21 VAL 88 -1.138 7.283 -6.276 633 HG22 VAL 88 HG22 VAL 88 -2.443 6.260 -6.876 634 HG23 VAL 88 HG23 VAL 88 -2.176 7.853 -7.595 635 H ARG 89 H ARG 89 -0.602 3.413 -10.226 636 HA ARG 89 HA ARG 89 -3.047 2.009 -9.454 637 HB2 ARG 89 HB2 ARG 89 -2.703 0.188 -11.419 638 HB3 ARG 89 HB3 ARG 89 -3.332 1.732 -11.868 639 HG2 ARG 89 HG2 ARG 89 -1.126 2.310 -12.787 640 HG3 ARG 89 HG3 ARG 89 -0.544 0.701 -12.317 641 HD2 ARG 89 HD2 ARG 89 -2.329 -0.306 -13.539 642 HD3 ARG 89 HD3 ARG 89 -2.916 1.285 -14.007 643 HE ARG 89 HE ARG 89 -0.205 1.034 -14.857 644 HH11 ARG 89 HH11 ARG 89 -3.332 -0.300 -16.182 645 HH12 ARG 89 HH12 ARG 89 -2.677 -0.472 -17.775 646 HH21 ARG 89 HH21 ARG 89 0.509 0.758 -16.976 647 HH22 ARG 89 HH22 ARG 89 -0.529 0.123 -18.209 648 H LEU 90 H LEU 90 -3.082 0.886 -7.814 649 HA LEU 90 HA LEU 90 -0.733 -0.501 -6.708 650 HB2 LEU 90 HB2 LEU 90 -1.948 -0.359 -4.428 651 HB3 LEU 90 HB3 LEU 90 -1.518 1.187 -5.088 652 HG LEU 90 HG LEU 90 -4.134 1.201 -5.740 653 HD11 LEU 90 HD11 LEU 90 -5.496 0.161 -3.988 654 HD12 LEU 90 HD12 LEU 90 -4.040 -0.670 -3.397 655 HD13 LEU 90 HD13 LEU 90 -4.656 -1.012 -5.012 656 HD21 LEU 90 HD21 LEU 90 -4.489 2.422 -3.679 657 HD22 LEU 90 HD22 LEU 90 -2.877 2.737 -4.372 658 HD23 LEU 90 HD23 LEU 90 -3.042 1.659 -2.992 659 H TYR 91 H TYR 91 -0.497 -2.497 -6.102 660 HA TYR 91 HA TYR 91 -2.620 -4.483 -6.585 661 HB2 TYR 91 HB2 TYR 91 -0.464 -4.512 -8.249 662 HB3 TYR 91 HB3 TYR 91 0.334 -5.171 -6.902 663 HD1 TYR 91 HD1 TYR 91 -3.016 -6.202 -8.423 664 HD2 TYR 91 HD2 TYR 91 0.904 -7.364 -7.267 665 HE1 TYR 91 HE1 TYR 91 -3.594 -8.381 -8.978 666 HE2 TYR 91 HE2 TYR 91 0.424 -9.645 -7.836 667 HH TYR 91 HH TYR 91 -1.595 -11.134 -8.147 668 H VAL 92 H VAL 92 -3.470 -5.170 -4.908 669 HA VAL 92 HA VAL 92 -1.987 -5.645 -2.367 670 HB VAL 92 HB VAL 92 -4.107 -5.330 -1.027 671 HG11 VAL 92 HG11 VAL 92 -2.921 -3.288 -1.431 672 HG12 VAL 92 HG12 VAL 92 -4.666 -3.002 -1.365 673 HG13 VAL 92 HG13 VAL 92 -3.849 -3.040 -2.922 674 HG21 VAL 92 HG21 VAL 92 -5.720 -6.252 -2.437 675 HG22 VAL 92 HG22 VAL 92 -5.541 -5.059 -3.683 676 HG23 VAL 92 HG23 VAL 92 -6.333 -4.602 -2.116 677 H MET 93 H MET 93 -2.787 -7.292 -0.761 678 HA MET 93 HA MET 93 -3.450 -10.018 -1.793 679 HB2 MET 93 HB2 MET 93 -1.537 -11.190 -0.513 680 HB3 MET 93 HB3 MET 93 -0.989 -10.154 -1.806 681 HG2 MET 93 HG2 MET 93 -0.193 -8.467 -0.132 682 HG3 MET 93 HG3 MET 93 -0.803 -9.464 1.174 683 HE1 MET 93 HE1 MET 93 1.957 -12.270 1.524 684 HE2 MET 93 HE2 MET 93 0.274 -12.382 1.012 685 HE3 MET 93 HE3 MET 93 0.711 -11.362 2.381 686 H ARG 94 H ARG 94 -5.002 -11.093 -0.933 687 HA ARG 94 HA ARG 94 -5.702 -10.895 1.927 688 HB2 ARG 94 HB2 ARG 94 -7.405 -9.809 0.151 689 HB3 ARG 94 HB3 ARG 94 -7.787 -11.452 -0.299 690 HG2 ARG 94 HG2 ARG 94 -8.719 -11.848 1.967 691 HG3 ARG 94 HG3 ARG 94 -8.284 -10.202 2.433 692 HD2 ARG 94 HD2 ARG 94 -9.780 -9.325 0.692 693 HD3 ARG 94 HD3 ARG 94 -10.211 -10.972 0.233 694 HE ARG 94 HE ARG 94 -10.786 -10.772 2.942 695 HH11 ARG 94 HH11 ARG 94 -12.303 -9.038 0.113 696 HH12 ARG 94 HH12 ARG 94 -13.807 -8.833 0.946 697 HH21 ARG 94 HH21 ARG 94 -12.793 -10.431 3.898 698 HH22 ARG 94 HH22 ARG 94 -14.071 -9.614 3.062 699 H ARG 95 H ARG 95 -5.693 -12.750 3.051 700 HA ARG 95 HA ARG 95 -4.811 -15.263 1.853 701 HB2 ARG 95 HB2 ARG 95 -4.676 -14.292 4.715 702 HB3 ARG 95 HB3 ARG 95 -4.551 -16.015 4.415 703 HG2 ARG 95 HG2 ARG 95 -2.659 -15.539 2.889 704 HG3 ARG 95 HG3 ARG 95 -2.699 -13.847 3.407 705 HD2 ARG 95 HD2 ARG 95 -2.365 -14.610 5.749 706 HD3 ARG 95 HD3 ARG 95 -2.273 -16.268 5.136 707 HE ARG 95 HE ARG 95 -0.339 -14.700 3.791 708 HH11 ARG 95 HH11 ARG 95 -0.482 -16.104 7.155 709 HH12 ARG 95 HH12 ARG 95 1.244 -16.098 7.314 710 HH21 ARG 95 HH21 ARG 95 1.883 -14.752 4.139 711 HH22 ARG 95 HH22 ARG 95 2.556 -15.339 5.623 712 H LYS 96 H LYS 96 -5.566 -17.212 1.757 713 HA LYS 96 HA LYS 96 -8.342 -17.769 1.768 714 HB2 LYS 96 HB2 LYS 96 -7.760 -20.164 1.012 715 HB3 LYS 96 HB3 LYS 96 -7.087 -18.914 0.024 716 HG2 LYS 96 HG2 LYS 96 -5.295 -20.428 0.059 717 HG3 LYS 96 HG3 LYS 96 -4.852 -19.458 1.451 718 HD2 LYS 96 HD2 LYS 96 -5.828 -21.185 2.947 719 HD3 LYS 96 HD3 LYS 96 -6.301 -22.135 1.538 720 HE2 LYS 96 HE2 LYS 96 -3.936 -22.361 0.910 721 HE3 LYS 96 HE3 LYS 96 -3.472 -21.416 2.324 722 HZ1 LYS 96 HZ1 LYS 96 -4.872 -24.037 2.373 723 HZ2 LYS 96 HZ2 LYS 96 -4.433 -23.133 3.734 724 HZ3 LYS 96 HZ3 LYS 96 -3.237 -23.783 2.730 725 HA PRO 97 HA PRO 97 -9.334 -19.482 6.067 726 HB2 PRO 97 HB2 PRO 97 -12.167 -19.812 5.225 727 HB3 PRO 97 HB3 PRO 97 -11.507 -18.775 6.487 728 HG2 PRO 97 HG2 PRO 97 -12.530 -17.747 4.213 729 HG3 PRO 97 HG3 PRO 97 -11.137 -17.004 5.020 730 HD2 PRO 97 HD2 PRO 97 -11.177 -18.845 2.634 731 HD3 PRO 97 HD3 PRO 97 -10.296 -17.314 2.846 732 HA PRO 98 HA PRO 98 -9.348 -24.228 5.447 733 HB2 PRO 98 HB2 PRO 98 -9.925 -24.623 8.357 734 HB3 PRO 98 HB3 PRO 98 -8.530 -25.155 7.420 735 HG2 PRO 98 HG2 PRO 98 -8.287 -23.172 9.195 736 HG3 PRO 98 HG3 PRO 98 -7.434 -23.101 7.642 737 HD2 PRO 98 HD2 PRO 98 -10.006 -21.744 8.443 738 HD3 PRO 98 HD3 PRO 98 -8.578 -21.040 7.651 739 H ALA 99 H ALA 99 -10.760 -25.718 4.663 740 HA ALA 99 HA ALA 99 -13.590 -25.791 5.486 741 HB1 ALA 99 HB1 ALA 99 -14.272 -26.385 3.172 742 HB2 ALA 99 HB2 ALA 99 -12.586 -26.453 2.663 743 HB3 ALA 99 HB3 ALA 99 -13.299 -24.913 3.134 744 H1 VAL 1 H1 VAL 1 5.147 -3.590 19.334 745 H2 VAL 1 H2 VAL 1 5.543 -2.509 20.572 746 H3 VAL 1 H3 VAL 1 6.700 -3.608 20.010 747 HA VAL 1 HA VAL 1 6.940 -2.561 17.981 748 HB VAL 1 HB VAL 1 4.410 -2.118 17.883 749 HG11 VAL 1 HG11 VAL 1 3.414 0.135 18.005 750 HG12 VAL 1 HG12 VAL 1 4.801 0.622 18.979 751 HG13 VAL 1 HG13 VAL 1 3.741 -0.671 19.545 752 HG21 VAL 1 HG21 VAL 1 5.648 -1.785 15.903 753 HG22 VAL 1 HG22 VAL 1 6.174 -0.191 16.402 754 HG23 VAL 1 HG23 VAL 1 4.475 -0.474 16.004 755 H VAL 2 H VAL 2 8.544 -1.425 17.529 756 HA VAL 2 HA VAL 2 9.871 -0.020 19.711 757 HB VAL 2 HB VAL 2 10.889 -2.208 18.851 758 HG11 VAL 2 HG11 VAL 2 12.505 -2.382 16.991 759 HG12 VAL 2 HG12 VAL 2 11.833 -0.886 16.347 760 HG13 VAL 2 HG13 VAL 2 10.805 -2.297 16.538 761 HG21 VAL 2 HG21 VAL 2 13.331 -1.632 19.050 762 HG22 VAL 2 HG22 VAL 2 12.319 -0.943 20.318 763 HG23 VAL 2 HG23 VAL 2 12.880 0.075 18.992 764 H SER 3 H SER 3 9.014 0.653 16.263 765 HA SER 3 HA SER 3 9.722 3.440 16.420 766 HB2 SER 3 HB2 SER 3 11.455 1.846 14.443 767 HB3 SER 3 HB3 SER 3 11.286 3.595 14.369 768 HG SER 3 HG SER 3 13.005 3.446 15.630 769 H GLU 4 H GLU 4 8.169 4.665 15.503 770 HA GLU 4 HA GLU 4 7.324 4.190 12.783 771 HB2 GLU 4 HB2 GLU 4 5.569 2.958 14.509 772 HB3 GLU 4 HB3 GLU 4 4.745 4.546 14.375 773 HG2 GLU 4 HG2 GLU 4 4.662 4.085 11.893 774 HG3 GLU 4 HG3 GLU 4 5.636 2.634 12.424 775 H ARG 5 H ARG 5 7.400 5.831 11.619 776 HA ARG 5 HA ARG 5 6.259 8.407 12.437 777 HB2 ARG 5 HB2 ARG 5 8.945 8.337 11.943 778 HB3 ARG 5 HB3 ARG 5 8.478 8.224 10.262 779 HG2 ARG 5 HG2 ARG 5 7.374 10.477 10.463 780 HG3 ARG 5 HG3 ARG 5 7.926 10.568 12.131 781 HD2 ARG 5 HD2 ARG 5 9.553 11.827 11.000 782 HD3 ARG 5 HD3 ARG 5 10.304 10.239 11.086 783 HE ARG 5 HE ARG 5 8.970 10.345 8.626 784 HH11 ARG 5 HH11 ARG 5 11.902 12.130 9.853 785 HH12 ARG 5 HH12 ARG 5 12.493 12.425 8.252 786 HH21 ARG 5 HH21 ARG 5 9.854 10.810 6.605 787 HH22 ARG 5 HH22 ARG 5 11.342 11.682 6.444 788 H ILE 6 H ILE 6 4.171 7.677 11.834 789 HA ILE 6 HA ILE 6 3.704 7.061 9.037 790 HB ILE 6 HB ILE 6 2.961 5.146 10.575 791 HG12 ILE 6 HG12 ILE 6 0.805 4.395 9.727 792 HG13 ILE 6 HG13 ILE 6 0.339 6.003 9.108 793 HG21 ILE 6 HG21 ILE 6 0.918 5.104 11.916 794 HG22 ILE 6 HG22 ILE 6 0.795 6.856 11.731 795 HG23 ILE 6 HG23 ILE 6 2.197 6.152 12.549 796 HD11 ILE 6 HD11 ILE 6 0.879 4.472 7.259 797 HD12 ILE 6 HD12 ILE 6 2.289 3.904 8.124 798 HD13 ILE 6 HD13 ILE 6 2.278 5.515 7.448 799 H SER 7 H SER 7 4.054 8.876 8.530 800 HA SER 7 HA SER 7 1.874 10.957 8.255 801 HB2 SER 7 HB2 SER 7 3.653 12.837 8.123 802 HB3 SER 7 HB3 SER 7 3.639 11.994 9.662 803 HG SER 7 HG SER 7 5.382 10.933 7.789 804 H SER 8 H SER 8 2.546 8.690 6.335 805 HA SER 8 HA SER 8 3.548 9.805 3.828 806 HB2 SER 8 HB2 SER 8 2.785 6.866 4.463 807 HB3 SER 8 HB3 SER 8 3.527 7.446 3.001 808 HG SER 8 HG SER 8 5.028 8.367 4.977 809 H VAL 9 H VAL 9 2.144 8.242 1.739 810 HA VAL 9 HA VAL 9 -0.510 9.597 1.477 811 HB VAL 9 HB VAL 9 1.280 9.054 -1.114 812 HG11 VAL 9 HG11 VAL 9 -1.044 9.718 -1.608 813 HG12 VAL 9 HG12 VAL 9 0.071 10.940 -2.194 814 HG13 VAL 9 HG13 VAL 9 -0.844 11.225 -0.734 815 HG21 VAL 9 HG21 VAL 9 1.411 11.725 0.369 816 HG22 VAL 9 HG22 VAL 9 2.134 11.386 -1.199 817 HG23 VAL 9 HG23 VAL 9 2.731 10.557 0.242 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 1.523 -29.264 -6.171 2 H2 GLY 1 H2 GLY 1 0.704 -30.490 -5.341 3 H3 GLY 1 H3 GLY 1 2.349 -30.224 -5.048 4 HA2 GLY 1 HA2 GLY 1 1.036 -29.323 -3.241 5 HA3 GLY 1 HA3 GLY 1 1.877 -28.050 -4.110 6 H ALA 2 H ALA 2 -1.111 -29.183 -2.919 7 HA ALA 2 HA ALA 2 -2.824 -27.395 -4.540 8 HB1 ALA 2 HB1 ALA 2 -3.561 -29.790 -4.467 9 HB2 ALA 2 HB2 ALA 2 -4.752 -28.652 -3.805 10 HB3 ALA 2 HB3 ALA 2 -3.782 -29.630 -2.706 11 H MET 3 H MET 3 -4.332 -25.930 -3.751 12 HA MET 3 HA MET 3 -5.079 -24.243 -2.835 13 HB2 MET 3 HB2 MET 3 -5.370 -25.853 -0.309 14 HB3 MET 3 HB3 MET 3 -5.701 -24.138 -0.205 15 HG2 MET 3 HG2 MET 3 -7.147 -26.119 -2.025 16 HG3 MET 3 HG3 MET 3 -7.684 -25.422 -0.495 17 HE1 MET 3 HE1 MET 3 -10.088 -23.820 -3.214 18 HE2 MET 3 HE2 MET 3 -10.015 -24.827 -1.768 19 HE3 MET 3 HE3 MET 3 -9.359 -25.424 -3.293 20 H GLU 4 H GLU 4 -4.884 -22.549 -2.914 21 HA GLU 4 HA GLU 4 -2.589 -21.083 -1.825 22 HB2 GLU 4 HB2 GLU 4 -2.233 -19.773 -4.037 23 HB3 GLU 4 HB3 GLU 4 -1.783 -21.462 -4.016 24 HG2 GLU 4 HG2 GLU 4 -3.797 -21.998 -5.328 25 HG3 GLU 4 HG3 GLU 4 -4.286 -20.306 -5.291 26 H MET 5 H MET 5 -2.566 -18.677 -1.829 27 HA MET 5 HA MET 5 -5.026 -17.536 -0.807 28 HB2 MET 5 HB2 MET 5 -3.647 -15.515 -0.004 29 HB3 MET 5 HB3 MET 5 -3.084 -17.035 0.629 30 HG2 MET 5 HG2 MET 5 -1.223 -16.931 -1.048 31 HG3 MET 5 HG3 MET 5 -1.763 -15.334 -1.516 32 HE1 MET 5 HE1 MET 5 0.695 -14.348 -0.969 33 HE2 MET 5 HE2 MET 5 1.226 -15.955 -0.474 34 HE3 MET 5 HE3 MET 5 1.505 -14.570 0.583 35 H GLU 6 H GLU 6 -5.543 -15.007 -1.243 36 HA GLU 6 HA GLU 6 -6.217 -14.812 -4.140 37 HB2 GLU 6 HB2 GLU 6 -8.204 -14.202 -1.844 38 HB3 GLU 6 HB3 GLU 6 -8.535 -13.783 -3.504 39 HG2 GLU 6 HG2 GLU 6 -8.186 -16.661 -2.535 40 HG3 GLU 6 HG3 GLU 6 -9.733 -15.850 -2.556 41 H TYR 7 H TYR 7 -5.666 -13.096 -5.254 42 HA TYR 7 HA TYR 7 -4.742 -10.595 -3.928 43 HB2 TYR 7 HB2 TYR 7 -3.871 -11.660 -6.685 44 HB3 TYR 7 HB3 TYR 7 -3.263 -10.226 -5.933 45 HD1 TYR 7 HD1 TYR 7 -3.123 -13.973 -5.695 46 HD2 TYR 7 HD2 TYR 7 -1.466 -10.282 -4.419 47 HE1 TYR 7 HE1 TYR 7 -1.233 -15.198 -4.820 48 HE2 TYR 7 HE2 TYR 7 0.555 -11.492 -3.552 49 HH TYR 7 HH TYR 7 1.112 -13.784 -2.756 50 H GLU 8 H GLU 8 -5.181 -8.485 -4.678 51 HA GLU 8 HA GLU 8 -7.321 -8.091 -6.710 52 HB2 GLU 8 HB2 GLU 8 -8.267 -8.023 -4.213 53 HB3 GLU 8 HB3 GLU 8 -7.404 -6.520 -4.040 54 HG2 GLU 8 HG2 GLU 8 -9.730 -5.939 -4.340 55 HG3 GLU 8 HG3 GLU 8 -8.954 -5.550 -5.861 56 H GLU 9 H GLU 9 -7.047 -6.500 -8.206 57 HA GLU 9 HA GLU 9 -4.947 -4.521 -7.879 58 HB2 GLU 9 HB2 GLU 9 -4.718 -4.356 -10.447 59 HB3 GLU 9 HB3 GLU 9 -4.283 -5.900 -9.750 60 HG2 GLU 9 HG2 GLU 9 -6.382 -6.922 -10.668 61 HG3 GLU 9 HG3 GLU 9 -6.864 -5.364 -11.322 62 H ILE 10 H ILE 10 -5.416 -2.418 -7.418 63 HA ILE 10 HA ILE 10 -7.989 -1.259 -8.341 64 HB ILE 10 HB ILE 10 -6.449 -0.626 -5.690 65 HG12 ILE 10 HG12 ILE 10 -9.319 -1.561 -5.407 66 HG13 ILE 10 HG13 ILE 10 -8.172 -2.758 -5.980 67 HG21 ILE 10 HG21 ILE 10 -7.439 1.517 -6.228 68 HG22 ILE 10 HG22 ILE 10 -8.345 0.888 -4.869 69 HG23 ILE 10 HG23 ILE 10 -9.060 0.831 -6.500 70 HD11 ILE 10 HD11 ILE 10 -8.285 -1.364 -3.307 71 HD12 ILE 10 HD12 ILE 10 -6.786 -2.059 -3.915 72 HD13 ILE 10 HD13 ILE 10 -8.192 -3.127 -3.634 73 H THR 11 H THR 11 -8.054 0.740 -9.396 74 HA THR 11 HA THR 11 -5.575 2.312 -9.867 75 HB THR 11 HB THR 11 -7.779 2.304 -12.076 76 HG1 THR 11 HG1 THR 11 -5.948 0.242 -11.553 77 HG21 THR 11 HG21 THR 11 -5.879 2.833 -13.629 78 HG22 THR 11 HG22 THR 11 -4.751 2.643 -12.276 79 HG23 THR 11 HG23 THR 11 -5.881 3.975 -12.268 80 H LEU 12 H LEU 12 -5.511 4.241 -9.126 81 HA LEU 12 HA LEU 12 -7.900 5.849 -8.433 82 HB2 LEU 12 HB2 LEU 12 -5.188 5.715 -6.988 83 HB3 LEU 12 HB3 LEU 12 -6.260 7.051 -6.752 84 HG LEU 12 HG LEU 12 -6.865 4.167 -5.804 85 HD11 LEU 12 HD11 LEU 12 -6.256 4.946 -3.642 86 HD12 LEU 12 HD12 LEU 12 -5.781 6.504 -4.318 87 HD13 LEU 12 HD13 LEU 12 -4.905 5.043 -4.771 88 HD21 LEU 12 HD21 LEU 12 -8.159 6.812 -5.003 89 HD22 LEU 12 HD22 LEU 12 -8.573 5.212 -4.387 90 HD23 LEU 12 HD23 LEU 12 -8.926 5.627 -6.064 91 H GLU 13 H GLU 13 -8.148 8.030 -9.206 92 HA GLU 13 HA GLU 13 -6.096 9.376 -10.686 93 HB2 GLU 13 HB2 GLU 13 -8.799 9.230 -11.030 94 HB3 GLU 13 HB3 GLU 13 -8.775 10.472 -9.782 95 HG2 GLU 13 HG2 GLU 13 -7.488 11.917 -11.216 96 HG3 GLU 13 HG3 GLU 13 -7.478 10.622 -12.431 97 H ARG 14 H ARG 14 -4.858 10.973 -9.748 98 HA ARG 14 HA ARG 14 -4.354 11.177 -6.963 99 HB2 ARG 14 HB2 ARG 14 -2.971 12.137 -9.378 100 HB3 ARG 14 HB3 ARG 14 -2.562 13.057 -7.915 101 HG2 ARG 14 HG2 ARG 14 -1.918 10.740 -6.963 102 HG3 ARG 14 HG3 ARG 14 -2.102 10.136 -8.608 103 HD2 ARG 14 HD2 ARG 14 0.215 10.580 -8.412 104 HD3 ARG 14 HD3 ARG 14 -0.414 11.971 -9.283 105 HE ARG 14 HE ARG 14 -0.078 12.233 -6.350 106 HH11 ARG 14 HH11 ARG 14 1.356 13.432 -9.469 107 HH12 ARG 14 HH12 ARG 14 2.308 14.630 -8.657 108 HH21 ARG 14 HH21 ARG 14 1.205 13.828 -5.434 109 HH22 ARG 14 HH22 ARG 14 2.218 14.845 -6.405 110 H GLY 15 H GLY 15 -5.159 12.197 -5.413 111 HA2 GLY 15 HA2 GLY 15 -6.805 14.626 -5.609 112 HA3 GLY 15 HA3 GLY 15 -6.517 13.689 -4.164 113 H ASN 16 H ASN 16 -6.713 16.499 -4.230 114 HA ASN 16 HA ASN 16 -4.159 17.895 -4.164 115 HB2 ASN 16 HB2 ASN 16 -6.995 18.882 -3.551 116 HB3 ASN 16 HB3 ASN 16 -5.607 19.921 -3.316 117 HD21 ASN 16 HD21 ASN 16 -4.561 20.796 -5.165 118 HD22 ASN 16 HD22 ASN 16 -5.261 20.737 -6.744 119 H SER 17 H SER 17 -5.964 16.236 -1.642 120 HA SER 17 HA SER 17 -4.537 17.415 0.647 121 HB2 SER 17 HB2 SER 17 -6.903 15.477 0.567 122 HB3 SER 17 HB3 SER 17 -6.130 15.984 2.063 123 HG SER 17 HG SER 17 -7.100 17.870 1.919 124 H GLY 18 H GLY 18 -4.293 14.213 -1.317 125 HA2 GLY 18 HA2 GLY 18 -2.127 13.148 -1.247 126 HA3 GLY 18 HA3 GLY 18 -2.192 13.260 0.509 127 H LEU 19 H LEU 19 -4.659 12.488 -1.900 128 HA LEU 19 HA LEU 19 -6.232 11.088 -2.307 129 HB2 LEU 19 HB2 LEU 19 -4.426 8.623 -1.683 130 HB3 LEU 19 HB3 LEU 19 -5.845 8.763 -2.735 131 HG LEU 19 HG LEU 19 -3.668 10.502 -3.491 132 HD11 LEU 19 HD11 LEU 19 -2.466 8.567 -4.582 133 HD12 LEU 19 HD12 LEU 19 -3.487 7.474 -3.612 134 HD13 LEU 19 HD13 LEU 19 -2.362 8.587 -2.827 135 HD21 LEU 19 HD21 LEU 19 -5.605 10.302 -4.837 136 HD22 LEU 19 HD22 LEU 19 -5.490 8.542 -4.894 137 HD23 LEU 19 HD23 LEU 19 -4.287 9.546 -5.753 138 H GLY 20 H GLY 20 -5.491 9.231 0.617 139 HA2 GLY 20 HA2 GLY 20 -7.327 10.231 2.384 140 HA3 GLY 20 HA3 GLY 20 -8.291 9.176 1.371 141 H PHE 21 H PHE 21 -4.806 8.550 2.293 142 HA PHE 21 HA PHE 21 -5.311 6.801 4.435 143 HB2 PHE 21 HB2 PHE 21 -4.521 4.648 3.427 144 HB3 PHE 21 HB3 PHE 21 -5.872 5.225 2.550 145 HD1 PHE 21 HD1 PHE 21 -5.195 6.583 0.043 146 HD2 PHE 21 HD2 PHE 21 -2.749 3.712 2.179 147 HE1 PHE 21 HE1 PHE 21 -4.055 6.002 -2.028 148 HE2 PHE 21 HE2 PHE 21 -1.587 3.178 0.047 149 HZ PHE 21 HZ PHE 21 -2.244 4.327 -2.039 150 H SER 22 H SER 22 -2.875 5.848 5.373 151 HA SER 22 HA SER 22 -0.571 7.104 4.132 152 HB2 SER 22 HB2 SER 22 -0.945 7.135 7.196 153 HB3 SER 22 HB3 SER 22 0.490 7.593 6.254 154 HG SER 22 HG SER 22 -1.598 9.133 6.931 155 H ILE 23 H ILE 23 1.434 5.946 4.189 156 HA ILE 23 HA ILE 23 1.255 3.099 4.950 157 HB ILE 23 HB ILE 23 2.624 2.415 2.933 158 HG12 ILE 23 HG12 ILE 23 1.813 3.532 0.672 159 HG13 ILE 23 HG13 ILE 23 1.366 4.909 1.660 160 HG21 ILE 23 HG21 ILE 23 0.488 1.934 1.677 161 HG22 ILE 23 HG22 ILE 23 -0.182 3.144 2.838 162 HG23 ILE 23 HG23 ILE 23 0.519 1.666 3.462 163 HD11 ILE 23 HD11 ILE 23 3.823 5.284 2.117 164 HD12 ILE 23 HD12 ILE 23 3.383 5.402 0.424 165 HD13 ILE 23 HD13 ILE 23 4.195 3.948 1.004 166 H ALA 24 H ALA 24 2.497 1.860 5.842 167 HA ALA 24 HA ALA 24 5.143 2.869 6.721 168 HB1 ALA 24 HB1 ALA 24 3.432 0.727 8.140 169 HB2 ALA 24 HB2 ALA 24 3.453 2.415 8.609 170 HB3 ALA 24 HB3 ALA 24 4.911 1.440 8.770 171 H GLY 25 H GLY 25 6.907 2.064 5.900 172 HA2 GLY 25 HA2 GLY 25 7.358 -0.713 5.051 173 HA3 GLY 25 HA3 GLY 25 7.342 0.465 3.752 174 H GLY 26 H GLY 26 9.590 -1.135 4.204 175 HA2 GLY 26 HA2 GLY 26 11.783 0.582 4.601 176 HA3 GLY 26 HA3 GLY 26 11.424 -0.017 6.188 177 H THR 27 H THR 27 13.634 -0.122 4.000 178 HA THR 27 HA THR 27 14.474 -2.837 4.656 179 HB THR 27 HB THR 27 16.715 -2.197 3.282 180 HG1 THR 27 HG1 THR 27 14.916 -0.332 2.227 181 HG21 THR 27 HG21 THR 27 14.145 -2.945 1.869 182 HG22 THR 27 HG22 THR 27 15.287 -4.046 2.632 183 HG23 THR 27 HG23 THR 27 15.762 -3.151 1.193 184 H ASP 28 H ASP 28 15.542 0.538 5.362 185 HA ASP 28 HA ASP 28 17.142 -0.526 7.530 186 HB2 ASP 28 HB2 ASP 28 18.423 1.784 7.695 187 HB3 ASP 28 HB3 ASP 28 18.898 0.691 6.404 188 H ASN 29 H ASN 29 14.368 1.489 7.050 189 HA ASN 29 HA ASN 29 14.125 2.161 9.889 190 HB2 ASN 29 HB2 ASN 29 12.820 3.563 7.463 191 HB3 ASN 29 HB3 ASN 29 12.130 3.773 9.058 192 HD21 ASN 29 HD21 ASN 29 14.793 4.541 6.930 193 HD22 ASN 29 HD22 ASN 29 15.505 5.777 7.904 194 HA PRO 30 HA PRO 30 10.989 -1.448 10.214 195 HB2 PRO 30 HB2 PRO 30 11.247 -1.621 13.011 196 HB3 PRO 30 HB3 PRO 30 11.968 -2.696 11.831 197 HG2 PRO 30 HG2 PRO 30 13.449 -0.982 13.520 198 HG3 PRO 30 HG3 PRO 30 14.066 -1.776 12.070 199 HD2 PRO 30 HD2 PRO 30 13.236 1.059 12.465 200 HD3 PRO 30 HD3 PRO 30 14.413 0.363 11.346 201 H HIS 31 H HIS 31 8.922 -1.985 11.021 202 HA HIS 31 HA HIS 31 7.344 0.053 12.415 203 HB2 HIS 31 HB2 HIS 31 6.424 -0.253 10.093 204 HB3 HIS 31 HB3 HIS 31 6.395 -1.988 10.274 205 HD1 HIS 31 HD1 HIS 31 4.492 1.059 11.741 206 HD2 HIS 31 HD2 HIS 31 3.858 -2.948 10.850 207 HE1 HIS 31 HE1 HIS 31 2.089 0.600 12.340 208 HE2 HIS 31 HE2 HIS 31 1.713 -1.804 11.716 209 H ILE 32 H ILE 32 7.759 -3.654 12.301 210 HA ILE 32 HA ILE 32 6.435 -3.871 14.848 211 HB ILE 32 HB ILE 32 4.990 -4.583 12.885 212 HG12 ILE 32 HG12 ILE 32 4.365 -7.039 13.750 213 HG13 ILE 32 HG13 ILE 32 5.532 -6.502 14.983 214 HG21 ILE 32 HG21 ILE 32 5.098 -6.707 11.683 215 HG22 ILE 32 HG22 ILE 32 6.746 -6.937 12.276 216 HG23 ILE 32 HG23 ILE 32 6.359 -5.550 11.252 217 HD11 ILE 32 HD11 ILE 32 2.971 -4.993 14.327 218 HD12 ILE 32 HD12 ILE 32 4.121 -4.650 15.626 219 HD13 ILE 32 HD13 ILE 32 3.110 -6.105 15.713 220 H GLY 33 H GLY 33 9.273 -4.921 13.131 221 HA2 GLY 33 HA2 GLY 33 11.144 -5.285 15.047 222 HA3 GLY 33 HA3 GLY 33 10.318 -6.836 15.131 223 H ASP 34 H ASP 34 11.706 -4.595 12.632 224 HA ASP 34 HA ASP 34 12.801 -4.681 10.779 225 HB2 ASP 34 HB2 ASP 34 14.608 -6.648 12.273 226 HB3 ASP 34 HB3 ASP 34 15.044 -6.149 10.643 227 H ASP 35 H ASP 35 10.944 -5.131 9.757 228 HA ASP 35 HA ASP 35 10.784 -7.607 8.180 229 HB2 ASP 35 HB2 ASP 35 8.770 -5.901 9.483 230 HB3 ASP 35 HB3 ASP 35 8.238 -6.519 7.917 231 HA PRO 36 HA PRO 36 11.744 -5.285 4.203 232 HB2 PRO 36 HB2 PRO 36 11.071 -7.703 2.617 233 HB3 PRO 36 HB3 PRO 36 12.626 -6.898 2.813 234 HG2 PRO 36 HG2 PRO 36 12.162 -9.309 3.900 235 HG3 PRO 36 HG3 PRO 36 13.149 -8.101 4.742 236 HD2 PRO 36 HD2 PRO 36 10.246 -8.790 5.164 237 HD3 PRO 36 HD3 PRO 36 11.539 -8.639 6.376 238 H SER 37 H SER 37 8.452 -6.720 4.484 239 HA SER 37 HA SER 37 7.304 -5.627 2.036 240 HB2 SER 37 HB2 SER 37 5.139 -6.794 2.768 241 HB3 SER 37 HB3 SER 37 6.519 -7.869 2.622 242 HG SER 37 HG SER 37 6.717 -7.562 5.003 243 H ILE 38 H ILE 38 5.612 -4.077 1.659 244 HA ILE 38 HA ILE 38 5.400 -1.945 3.677 245 HB ILE 38 HB ILE 38 4.482 -1.429 0.763 246 HG12 ILE 38 HG12 ILE 38 6.726 -1.762 -0.307 247 HG13 ILE 38 HG13 ILE 38 6.896 -0.211 0.288 248 HG21 ILE 38 HG21 ILE 38 5.138 0.951 0.967 249 HG22 ILE 38 HG22 ILE 38 5.523 0.641 2.658 250 HG23 ILE 38 HG23 ILE 38 3.878 0.396 2.075 251 HD11 ILE 38 HD11 ILE 38 8.369 -0.737 2.084 252 HD12 ILE 38 HD12 ILE 38 8.935 -1.631 0.655 253 HD13 ILE 38 HD13 ILE 38 8.056 -2.467 1.910 254 H PHE 39 H PHE 39 3.715 -1.771 4.963 255 HA PHE 39 HA PHE 39 1.097 -3.078 4.501 256 HB2 PHE 39 HB2 PHE 39 2.567 -4.408 6.026 257 HB3 PHE 39 HB3 PHE 39 2.946 -3.006 6.972 258 HD1 PHE 39 HD1 PHE 39 -0.162 -5.153 6.217 259 HD2 PHE 39 HD2 PHE 39 2.157 -3.070 9.122 260 HE1 PHE 39 HE1 PHE 39 -1.629 -6.019 8.009 261 HE2 PHE 39 HE2 PHE 39 0.704 -3.927 10.918 262 HZ PHE 39 HZ PHE 39 -1.205 -5.397 10.358 263 H ILE 40 H ILE 40 -0.905 -2.070 5.354 264 HA ILE 40 HA ILE 40 -0.893 0.803 5.729 265 HB ILE 40 HB ILE 40 -3.541 -0.686 5.879 266 HG12 ILE 40 HG12 ILE 40 -2.674 -1.954 3.868 267 HG13 ILE 40 HG13 ILE 40 -3.997 -0.942 3.374 268 HG21 ILE 40 HG21 ILE 40 -4.588 1.075 4.575 269 HG22 ILE 40 HG22 ILE 40 -3.056 1.961 4.512 270 HG23 ILE 40 HG23 ILE 40 -3.845 1.654 6.070 271 HD11 ILE 40 HD11 ILE 40 -2.389 0.623 2.449 272 HD12 ILE 40 HD12 ILE 40 -2.198 -0.988 1.639 273 HD13 ILE 40 HD13 ILE 40 -1.079 -0.410 2.952 274 H THR 41 H THR 41 -1.892 1.928 7.348 275 HA THR 41 HA THR 41 -2.066 0.886 10.101 276 HB THR 41 HB THR 41 -0.006 3.174 9.500 277 HG1 THR 41 HG1 THR 41 1.003 1.451 8.628 278 HG21 THR 41 HG21 THR 41 -0.212 1.415 11.972 279 HG22 THR 41 HG22 THR 41 -0.684 3.128 11.878 280 HG23 THR 41 HG23 THR 41 1.023 2.653 11.672 281 H LYS 42 H LYS 42 -2.492 3.791 7.800 282 HA LYS 42 HA LYS 42 -4.511 4.896 9.641 283 HB2 LYS 42 HB2 LYS 42 -2.076 6.138 9.426 284 HB3 LYS 42 HB3 LYS 42 -2.801 6.834 8.009 285 HG2 LYS 42 HG2 LYS 42 -4.219 7.122 10.609 286 HG3 LYS 42 HG3 LYS 42 -2.768 8.092 10.358 287 HD2 LYS 42 HD2 LYS 42 -3.889 8.976 8.239 288 HD3 LYS 42 HD3 LYS 42 -5.344 8.120 8.731 289 HE2 LYS 42 HE2 LYS 42 -3.980 10.086 10.492 290 HE3 LYS 42 HE3 LYS 42 -5.119 10.648 9.260 291 HZ1 LYS 42 HZ1 LYS 42 -6.864 9.295 10.401 292 HZ2 LYS 42 HZ2 LYS 42 -6.226 10.461 11.444 293 HZ3 LYS 42 HZ3 LYS 42 -5.743 8.848 11.591 294 H ILE 43 H ILE 43 -6.481 5.280 8.828 295 HA ILE 43 HA ILE 43 -6.892 5.709 5.995 296 HB ILE 43 HB ILE 43 -8.684 3.947 7.834 297 HG12 ILE 43 HG12 ILE 43 -6.948 2.463 6.903 298 HG13 ILE 43 HG13 ILE 43 -8.413 1.948 6.234 299 HG21 ILE 43 HG21 ILE 43 -9.746 4.719 5.125 300 HG22 ILE 43 HG22 ILE 43 -10.433 5.082 6.710 301 HG23 ILE 43 HG23 ILE 43 -10.438 3.410 6.111 302 HD11 ILE 43 HD11 ILE 43 -6.214 3.516 4.779 303 HD12 ILE 43 HD12 ILE 43 -7.725 3.080 3.991 304 HD13 ILE 43 HD13 ILE 43 -6.607 1.815 4.542 305 H ILE 44 H ILE 44 -7.847 7.670 5.480 306 HA ILE 44 HA ILE 44 -9.031 9.436 7.442 307 HB ILE 44 HB ILE 44 -8.275 9.903 4.439 308 HG12 ILE 44 HG12 ILE 44 -6.804 11.834 5.335 309 HG13 ILE 44 HG13 ILE 44 -7.079 11.133 6.941 310 HG21 ILE 44 HG21 ILE 44 -10.197 11.316 4.557 311 HG22 ILE 44 HG22 ILE 44 -8.734 12.299 4.417 312 HG23 ILE 44 HG23 ILE 44 -9.559 12.161 5.983 313 HD11 ILE 44 HD11 ILE 44 -5.740 9.891 4.579 314 HD12 ILE 44 HD12 ILE 44 -6.010 9.128 6.144 315 HD13 ILE 44 HD13 ILE 44 -4.894 10.527 6.027 316 HA PRO 45 HA PRO 45 -13.566 8.228 7.005 317 HB2 PRO 45 HB2 PRO 45 -14.314 10.870 8.219 318 HB3 PRO 45 HB3 PRO 45 -14.681 9.242 8.788 319 HG2 PRO 45 HG2 PRO 45 -12.881 10.726 10.070 320 HG3 PRO 45 HG3 PRO 45 -12.580 8.997 9.815 321 HD2 PRO 45 HD2 PRO 45 -11.486 11.343 8.250 322 HD3 PRO 45 HD3 PRO 45 -10.601 9.958 8.906 323 H GLY 46 H GLY 46 -12.563 11.321 5.499 324 HA2 GLY 46 HA2 GLY 46 -14.741 11.214 3.471 325 HA3 GLY 46 HA3 GLY 46 -14.226 12.732 4.166 326 H GLY 47 H GLY 47 -11.959 10.037 3.106 327 HA2 GLY 47 HA2 GLY 47 -10.630 11.689 1.090 328 HA3 GLY 47 HA3 GLY 47 -10.092 10.149 1.710 329 H ALA 48 H ALA 48 -9.552 10.188 -0.725 330 HA ALA 48 HA ALA 48 -11.529 9.621 -2.750 331 HB1 ALA 48 HB1 ALA 48 -8.477 9.731 -3.062 332 HB2 ALA 48 HB2 ALA 48 -9.489 11.119 -3.147 333 HB3 ALA 48 HB3 ALA 48 -9.658 9.850 -4.370 334 H ALA 49 H ALA 49 -8.998 7.577 -1.076 335 HA ALA 49 HA ALA 49 -9.535 5.111 -2.536 336 HB1 ALA 49 HB1 ALA 49 -7.776 4.097 -1.205 337 HB2 ALA 49 HB2 ALA 49 -7.740 5.499 -0.124 338 HB3 ALA 49 HB3 ALA 49 -7.264 5.664 -1.822 339 H ALA 50 H ALA 50 -10.774 6.419 0.530 340 HA ALA 50 HA ALA 50 -11.891 3.977 1.648 341 HB1 ALA 50 HB1 ALA 50 -10.984 5.773 3.143 342 HB2 ALA 50 HB2 ALA 50 -12.658 5.401 3.536 343 HB3 ALA 50 HB3 ALA 50 -12.275 6.849 2.619 344 H GLN 51 H GLN 51 -13.363 6.961 -0.004 345 HA GLN 51 HA GLN 51 -16.059 5.903 -0.097 346 HB2 GLN 51 HB2 GLN 51 -14.907 8.599 -0.959 347 HB3 GLN 51 HB3 GLN 51 -16.591 8.192 -1.191 348 HG2 GLN 51 HG2 GLN 51 -15.508 7.994 1.578 349 HG3 GLN 51 HG3 GLN 51 -15.627 9.602 0.916 350 HE21 GLN 51 HE21 GLN 51 -17.315 6.830 2.239 351 HE22 GLN 51 HE22 GLN 51 -18.901 7.511 2.335 352 H ASP 52 H ASP 52 -13.659 6.982 -2.824 353 HA ASP 52 HA ASP 52 -15.412 5.948 -4.890 354 HB2 ASP 52 HB2 ASP 52 -13.127 7.899 -4.883 355 HB3 ASP 52 HB3 ASP 52 -13.571 7.138 -6.386 356 H GLY 53 H GLY 53 -12.203 4.929 -3.590 357 HA2 GLY 53 HA2 GLY 53 -11.347 3.335 -5.919 358 HA3 GLY 53 HA3 GLY 53 -10.438 3.597 -4.459 359 H ARG 54 H ARG 54 -12.104 2.467 -2.468 360 HA ARG 54 HA ARG 54 -12.862 0.824 -1.348 361 HB2 ARG 54 HB2 ARG 54 -13.306 -0.687 -3.893 362 HB3 ARG 54 HB3 ARG 54 -13.510 -1.582 -2.397 363 HG2 ARG 54 HG2 ARG 54 -15.311 0.103 -1.755 364 HG3 ARG 54 HG3 ARG 54 -15.125 0.833 -3.351 365 HD2 ARG 54 HD2 ARG 54 -15.800 -1.286 -4.393 366 HD3 ARG 54 HD3 ARG 54 -15.977 -2.018 -2.799 367 HE ARG 54 HE ARG 54 -17.581 0.335 -2.999 368 HH11 ARG 54 HH11 ARG 54 -17.952 -3.129 -4.084 369 HH12 ARG 54 HH12 ARG 54 -19.678 -3.005 -4.150 370 HH21 ARG 54 HH21 ARG 54 -19.825 0.346 -3.128 371 HH22 ARG 54 HH22 ARG 54 -20.716 -1.057 -3.614 372 H LEU 55 H LEU 55 -10.573 1.380 -0.737 373 HA LEU 55 HA LEU 55 -9.171 -1.072 -0.019 374 HB2 LEU 55 HB2 LEU 55 -7.820 0.449 -1.264 375 HB3 LEU 55 HB3 LEU 55 -8.273 1.845 -0.323 376 HG LEU 55 HG LEU 55 -6.777 0.354 1.496 377 HD11 LEU 55 HD11 LEU 55 -4.762 -0.398 0.388 378 HD12 LEU 55 HD12 LEU 55 -5.486 -0.089 -1.187 379 HD13 LEU 55 HD13 LEU 55 -6.155 -1.344 -0.141 380 HD21 LEU 55 HD21 LEU 55 -6.784 2.653 0.908 381 HD22 LEU 55 HD22 LEU 55 -5.863 2.311 -0.543 382 HD23 LEU 55 HD23 LEU 55 -5.122 2.053 1.071 383 H ARG 56 H ARG 56 -9.142 -1.811 1.945 384 HA ARG 56 HA ARG 56 -9.730 -0.250 4.377 385 HB2 ARG 56 HB2 ARG 56 -10.224 -3.265 3.850 386 HB3 ARG 56 HB3 ARG 56 -10.129 -2.682 5.483 387 HG2 ARG 56 HG2 ARG 56 -12.088 -1.273 5.048 388 HG3 ARG 56 HG3 ARG 56 -12.175 -1.962 3.413 389 HD2 ARG 56 HD2 ARG 56 -12.242 -4.150 4.313 390 HD3 ARG 56 HD3 ARG 56 -12.063 -3.476 5.932 391 HE ARG 56 HE ARG 56 -14.390 -2.324 4.801 392 HH11 ARG 56 HH11 ARG 56 -13.786 -5.724 5.973 393 HH12 ARG 56 HH12 ARG 56 -15.472 -6.014 6.242 394 HH21 ARG 56 HH21 ARG 56 -16.544 -2.844 5.197 395 HH22 ARG 56 HH22 ARG 56 -17.005 -4.399 5.805 396 H VAL 57 H VAL 57 -8.381 -0.657 6.361 397 HA VAL 57 HA VAL 57 -5.567 -0.494 6.029 398 HB VAL 57 HB VAL 57 -7.323 0.337 7.753 399 HG11 VAL 57 HG11 VAL 57 -8.168 -0.579 9.185 400 HG12 VAL 57 HG12 VAL 57 -6.567 -0.586 10.078 401 HG13 VAL 57 HG13 VAL 57 -7.085 -2.018 9.087 402 HG21 VAL 57 HG21 VAL 57 -5.571 1.008 9.436 403 HG22 VAL 57 HG22 VAL 57 -5.663 1.505 7.747 404 HG23 VAL 57 HG23 VAL 57 -4.470 0.258 8.221 405 H ASN 58 H ASN 58 -7.375 -3.329 6.475 406 HA ASN 58 HA ASN 58 -5.254 -5.139 7.181 407 HB2 ASN 58 HB2 ASN 58 -7.512 -5.021 8.318 408 HB3 ASN 58 HB3 ASN 58 -8.277 -5.638 6.888 409 HD21 ASN 58 HD21 ASN 58 -5.278 -6.972 8.511 410 HD22 ASN 58 HD22 ASN 58 -5.952 -8.519 8.879 411 H ASP 59 H ASP 59 -5.887 -3.726 4.114 412 HA ASP 59 HA ASP 59 -6.039 -6.123 2.438 413 HB2 ASP 59 HB2 ASP 59 -6.304 -3.201 1.809 414 HB3 ASP 59 HB3 ASP 59 -5.801 -4.248 0.495 415 H SER 60 H SER 60 -3.380 -3.920 3.314 416 HA SER 60 HA SER 60 -1.131 -3.668 2.864 417 HB2 SER 60 HB2 SER 60 -1.213 -5.612 4.527 418 HB3 SER 60 HB3 SER 60 -1.079 -6.726 3.176 419 HG SER 60 HG SER 60 0.880 -5.170 4.418 420 H ILE 61 H ILE 61 0.249 -3.061 1.282 421 HA ILE 61 HA ILE 61 -0.135 -4.043 -1.468 422 HB ILE 61 HB ILE 61 1.693 -1.573 -0.722 423 HG12 ILE 61 HG12 ILE 61 -1.167 -1.175 -1.856 424 HG13 ILE 61 HG13 ILE 61 -0.936 -1.362 -0.134 425 HG21 ILE 61 HG21 ILE 61 0.499 -2.229 -3.493 426 HG22 ILE 61 HG22 ILE 61 2.184 -2.416 -3.049 427 HG23 ILE 61 HG23 ILE 61 1.478 -0.801 -3.130 428 HD11 ILE 61 HD11 ILE 61 0.367 0.774 -0.092 429 HD12 ILE 61 HD12 ILE 61 -1.248 1.023 -0.775 430 HD13 ILE 61 HD13 ILE 61 0.156 0.905 -1.842 431 H LEU 62 H LEU 62 1.138 -5.438 -2.691 432 HA LEU 62 HA LEU 62 3.947 -5.975 -1.920 433 HB2 LEU 62 HB2 LEU 62 3.896 -7.971 -3.408 434 HB3 LEU 62 HB3 LEU 62 2.699 -8.107 -2.132 435 HG LEU 62 HG LEU 62 1.867 -7.408 -4.978 436 HD11 LEU 62 HD11 LEU 62 1.448 -9.762 -5.298 437 HD12 LEU 62 HD12 LEU 62 2.263 -10.098 -3.757 438 HD13 LEU 62 HD13 LEU 62 3.170 -9.387 -5.115 439 HD21 LEU 62 HD21 LEU 62 -0.233 -8.481 -4.334 440 HD22 LEU 62 HD22 LEU 62 0.154 -7.182 -3.206 441 HD23 LEU 62 HD23 LEU 62 0.433 -8.862 -2.746 442 H PHE 63 H PHE 63 2.053 -4.806 -4.708 443 HA PHE 63 HA PHE 63 4.557 -3.719 -5.903 444 HB2 PHE 63 HB2 PHE 63 2.489 -5.368 -7.465 445 HB3 PHE 63 HB3 PHE 63 3.580 -4.284 -8.308 446 HD1 PHE 63 HD1 PHE 63 3.507 -7.342 -6.131 447 HD2 PHE 63 HD2 PHE 63 5.793 -5.007 -8.816 448 HE1 PHE 63 HE1 PHE 63 5.082 -9.149 -6.243 449 HE2 PHE 63 HE2 PHE 63 7.467 -6.735 -8.950 450 HZ PHE 63 HZ PHE 63 7.156 -8.904 -7.682 451 H VAL 64 H VAL 64 4.517 -1.561 -6.729 452 HA VAL 64 HA VAL 64 1.945 -0.348 -7.305 453 HB VAL 64 HB VAL 64 3.008 1.939 -6.792 454 HG11 VAL 64 HG11 VAL 64 1.799 2.112 -4.551 455 HG12 VAL 64 HG12 VAL 64 1.563 0.353 -4.709 456 HG13 VAL 64 HG13 VAL 64 0.933 1.453 -5.944 457 HG21 VAL 64 HG21 VAL 64 4.397 0.455 -4.534 458 HG22 VAL 64 HG22 VAL 64 4.066 2.198 -4.471 459 HG23 VAL 64 HG23 VAL 64 5.097 1.564 -5.732 460 H ASN 65 H ASN 65 1.581 0.937 -8.982 461 HA ASN 65 HA ASN 65 1.700 1.783 -10.943 462 HB2 ASN 65 HB2 ASN 65 4.807 1.827 -10.731 463 HB3 ASN 65 HB3 ASN 65 4.143 2.324 -12.266 464 HD21 ASN 65 HD21 ASN 65 4.835 3.058 -9.021 465 HD22 ASN 65 HD22 ASN 65 4.351 4.716 -9.019 466 H GLU 66 H GLU 66 2.592 -1.333 -10.407 467 HA GLU 66 HA GLU 66 2.945 -3.342 -11.194 468 HB2 GLU 66 HB2 GLU 66 3.254 -2.288 -14.114 469 HB3 GLU 66 HB3 GLU 66 3.580 -3.965 -13.731 470 HG2 GLU 66 HG2 GLU 66 1.199 -4.220 -13.007 471 HG3 GLU 66 HG3 GLU 66 0.906 -2.548 -13.460 472 H VAL 67 H VAL 67 5.069 -1.152 -10.319 473 HA VAL 67 HA VAL 67 7.482 -2.631 -10.767 474 HB VAL 67 HB VAL 67 8.820 -0.814 -9.935 475 HG11 VAL 67 HG11 VAL 67 8.777 0.795 -11.732 476 HG12 VAL 67 HG12 VAL 67 7.179 0.121 -12.170 477 HG13 VAL 67 HG13 VAL 67 8.626 -0.943 -12.113 478 HG21 VAL 67 HG21 VAL 67 6.458 1.135 -9.722 479 HG22 VAL 67 HG22 VAL 67 8.193 1.559 -9.461 480 HG23 VAL 67 HG23 VAL 67 7.393 0.386 -8.395 481 H ASP 68 H ASP 68 9.120 -2.806 -9.176 482 HA ASP 68 HA ASP 68 7.946 -4.254 -7.165 483 HB2 ASP 68 HB2 ASP 68 10.195 -5.626 -6.826 484 HB3 ASP 68 HB3 ASP 68 9.326 -5.835 -8.325 485 H VAL 69 H VAL 69 7.525 -3.531 -5.314 486 HA VAL 69 HA VAL 69 9.472 -2.011 -3.770 487 HB VAL 69 HB VAL 69 7.760 -0.997 -2.285 488 HG11 VAL 69 HG11 VAL 69 8.520 0.333 -3.873 489 HG12 VAL 69 HG12 VAL 69 6.811 0.614 -3.596 490 HG13 VAL 69 HG13 VAL 69 7.350 -0.199 -5.121 491 HG21 VAL 69 HG21 VAL 69 5.246 -0.893 -3.123 492 HG22 VAL 69 HG22 VAL 69 5.863 -2.124 -2.059 493 HG23 VAL 69 HG23 VAL 69 5.619 -2.523 -3.791 494 H ARG 70 H ARG 70 8.685 -5.065 -3.825 495 HA ARG 70 HA ARG 70 8.370 -6.177 -1.291 496 HB2 ARG 70 HB2 ARG 70 9.401 -8.349 -2.176 497 HB3 ARG 70 HB3 ARG 70 8.079 -7.710 -3.126 498 HG2 ARG 70 HG2 ARG 70 9.767 -6.975 -4.860 499 HG3 ARG 70 HG3 ARG 70 11.053 -7.655 -3.863 500 HD2 ARG 70 HD2 ARG 70 10.027 -9.881 -4.084 501 HD3 ARG 70 HD3 ARG 70 8.747 -9.190 -5.081 502 HE ARG 70 HE ARG 70 11.184 -8.524 -6.291 503 HH11 ARG 70 HH11 ARG 70 9.478 -11.728 -5.936 504 HH12 ARG 70 HH12 ARG 70 10.245 -12.380 -7.345 505 HH21 ARG 70 HH21 ARG 70 12.102 -9.502 -8.098 506 HH22 ARG 70 HH22 ARG 70 11.709 -11.128 -8.546 507 H GLU 71 H GLU 71 11.454 -4.702 -2.235 508 HA GLU 71 HA GLU 71 12.649 -4.852 0.292 509 HB2 GLU 71 HB2 GLU 71 13.880 -6.334 -2.042 510 HB3 GLU 71 HB3 GLU 71 14.951 -5.425 -1.005 511 HG2 GLU 71 HG2 GLU 71 14.221 -6.899 0.930 512 HG3 GLU 71 HG3 GLU 71 13.150 -7.763 -0.161 513 H VAL 72 H VAL 72 12.007 -2.678 0.201 514 HA VAL 72 HA VAL 72 13.932 -0.795 -0.897 515 HB VAL 72 HB VAL 72 12.444 0.838 -1.924 516 HG11 VAL 72 HG11 VAL 72 12.979 -0.595 -3.576 517 HG12 VAL 72 HG12 VAL 72 11.334 -0.010 -3.858 518 HG13 VAL 72 HG13 VAL 72 11.585 -1.641 -3.242 519 HG21 VAL 72 HG21 VAL 72 9.900 0.780 -2.215 520 HG22 VAL 72 HG22 VAL 72 10.450 0.980 -0.557 521 HG23 VAL 72 HG23 VAL 72 9.877 -0.603 -1.094 522 H THR 73 H THR 73 13.910 1.409 0.150 523 HA THR 73 HA THR 73 13.150 1.582 2.979 524 HB THR 73 HB THR 73 13.854 4.149 2.616 525 HG1 THR 73 HG1 THR 73 14.663 3.080 0.208 526 HG21 THR 73 HG21 THR 73 15.156 2.702 4.016 527 HG22 THR 73 HG22 THR 73 16.208 3.685 3.018 528 HG23 THR 73 HG23 THR 73 15.951 1.980 2.609 529 H HIS 74 H HIS 74 11.863 3.478 3.945 530 HA HIS 74 HA HIS 74 9.149 3.722 3.109 531 HB2 HIS 74 HB2 HIS 74 8.692 5.452 4.911 532 HB3 HIS 74 HB3 HIS 74 9.747 4.196 5.505 533 HD1 HIS 74 HD1 HIS 74 9.315 7.804 5.571 534 HD2 HIS 74 HD2 HIS 74 12.646 5.307 5.737 535 HE1 HIS 74 HE1 HIS 74 11.163 9.209 6.567 536 HE2 HIS 74 HE2 HIS 74 13.191 7.705 6.549 537 H SER 75 H SER 75 11.547 6.315 2.641 538 HA SER 75 HA SER 75 10.057 8.198 1.033 539 HB2 SER 75 HB2 SER 75 13.102 7.892 1.216 540 HB3 SER 75 HB3 SER 75 12.312 9.222 0.377 541 HG SER 75 HG SER 75 11.263 9.651 2.471 542 H ALA 76 H ALA 76 12.030 5.398 -0.045 543 HA ALA 76 HA ALA 76 11.905 5.602 -2.899 544 HB1 ALA 76 HB1 ALA 76 12.814 3.311 -2.860 545 HB2 ALA 76 HB2 ALA 76 12.374 3.197 -1.147 546 HB3 ALA 76 HB3 ALA 76 13.628 4.325 -1.647 547 H ALA 77 H ALA 77 9.474 4.355 -0.504 548 HA ALA 77 HA ALA 77 7.765 2.970 -2.438 549 HB1 ALA 77 HB1 ALA 77 6.437 2.293 -0.461 550 HB2 ALA 77 HB2 ALA 77 7.417 3.376 0.544 551 HB3 ALA 77 HB3 ALA 77 8.160 1.958 -0.199 552 H VAL 78 H VAL 78 7.789 6.044 -0.542 553 HA VAL 78 HA VAL 78 5.147 7.071 -1.284 554 HB VAL 78 HB VAL 78 7.533 8.581 0.108 555 HG11 VAL 78 HG11 VAL 78 4.669 9.624 0.094 556 HG12 VAL 78 HG12 VAL 78 5.955 10.320 -0.892 557 HG13 VAL 78 HG13 VAL 78 6.056 10.394 0.881 558 HG21 VAL 78 HG21 VAL 78 6.556 6.851 1.461 559 HG22 VAL 78 HG22 VAL 78 4.959 7.614 1.233 560 HG23 VAL 78 HG23 VAL 78 6.215 8.455 2.164 561 H GLU 79 H GLU 79 8.429 7.687 -2.648 562 HA GLU 79 HA GLU 79 7.999 9.665 -4.599 563 HB2 GLU 79 HB2 GLU 79 10.172 7.621 -4.299 564 HB3 GLU 79 HB3 GLU 79 10.156 8.633 -5.730 565 HG2 GLU 79 HG2 GLU 79 10.168 10.650 -4.232 566 HG3 GLU 79 HG3 GLU 79 10.317 9.530 -2.882 567 H ALA 80 H ALA 80 7.426 6.175 -4.900 568 HA ALA 80 HA ALA 80 6.817 5.970 -7.718 569 HB1 ALA 80 HB1 ALA 80 7.432 4.034 -6.292 570 HB2 ALA 80 HB2 ALA 80 5.900 3.756 -7.121 571 HB3 ALA 80 HB3 ALA 80 5.916 4.214 -5.412 572 H LEU 81 H LEU 81 4.833 7.133 -4.908 573 HA LEU 81 HA LEU 81 2.281 7.172 -6.332 574 HB2 LEU 81 HB2 LEU 81 2.865 7.679 -3.360 575 HB3 LEU 81 HB3 LEU 81 1.267 7.757 -4.064 576 HG LEU 81 HG LEU 81 2.719 5.248 -4.472 577 HD11 LEU 81 HD11 LEU 81 3.535 5.669 -2.436 578 HD12 LEU 81 HD12 LEU 81 2.350 4.359 -2.265 579 HD13 LEU 81 HD13 LEU 81 1.954 6.007 -1.717 580 HD21 LEU 81 HD21 LEU 81 -0.103 5.729 -3.465 581 HD22 LEU 81 HD22 LEU 81 0.580 4.164 -4.003 582 HD23 LEU 81 HD23 LEU 81 0.398 5.499 -5.144 583 H LYS 82 H LYS 82 4.720 9.407 -5.146 584 HA LYS 82 HA LYS 82 3.340 11.856 -5.842 585 HB2 LYS 82 HB2 LYS 82 6.064 11.289 -4.704 586 HB3 LYS 82 HB3 LYS 82 5.709 12.913 -5.253 587 HG2 LYS 82 HG2 LYS 82 3.788 13.026 -3.608 588 HG3 LYS 82 HG3 LYS 82 4.245 11.449 -2.987 589 HD2 LYS 82 HD2 LYS 82 6.371 12.313 -2.220 590 HD3 LYS 82 HD3 LYS 82 6.071 13.873 -2.997 591 HE2 LYS 82 HE2 LYS 82 4.164 14.234 -1.478 592 HE3 LYS 82 HE3 LYS 82 4.482 12.677 -0.715 593 HZ1 LYS 82 HZ1 LYS 82 6.643 13.505 -0.017 594 HZ2 LYS 82 HZ2 LYS 82 5.407 14.498 0.574 595 HZ3 LYS 82 HZ3 LYS 82 6.335 15.000 -0.749 596 H GLU 83 H GLU 83 5.777 9.781 -7.468 597 HA GLU 83 HA GLU 83 6.399 11.638 -9.608 598 HB2 GLU 83 HB2 GLU 83 7.987 10.251 -10.584 599 HB3 GLU 83 HB3 GLU 83 7.804 10.053 -8.797 600 HG2 GLU 83 HG2 GLU 83 7.019 7.784 -9.019 601 HG3 GLU 83 HG3 GLU 83 6.812 7.932 -10.758 602 H ALA 84 H ALA 84 3.988 8.996 -9.815 603 HA ALA 84 HA ALA 84 3.808 8.678 -12.553 604 HB1 ALA 84 HB1 ALA 84 2.951 7.157 -10.834 605 HB2 ALA 84 HB2 ALA 84 1.773 7.394 -12.136 606 HB3 ALA 84 HB3 ALA 84 1.580 8.222 -10.581 607 H GLY 85 H GLY 85 2.445 11.263 -10.761 608 HA2 GLY 85 HA2 GLY 85 2.205 13.548 -11.729 609 HA3 GLY 85 HA3 GLY 85 1.741 12.618 -13.151 610 H SER 86 H SER 86 -0.410 11.118 -12.239 611 HA SER 86 HA SER 86 -2.630 12.800 -11.493 612 HB2 SER 86 HB2 SER 86 -3.681 13.276 -13.725 613 HB3 SER 86 HB3 SER 86 -1.910 13.579 -13.615 614 HG SER 86 HG SER 86 -1.507 12.239 -15.176 615 H ILE 87 H ILE 87 -1.476 9.763 -12.798 616 HA ILE 87 HA ILE 87 -3.799 8.214 -11.854 617 HB ILE 87 HB ILE 87 -2.576 7.737 -14.678 618 HG12 ILE 87 HG12 ILE 87 -4.119 9.634 -14.793 619 HG13 ILE 87 HG13 ILE 87 -4.744 8.383 -15.857 620 HG21 ILE 87 HG21 ILE 87 -4.237 5.945 -15.297 621 HG22 ILE 87 HG22 ILE 87 -4.733 5.965 -13.591 622 HG23 ILE 87 HG23 ILE 87 -3.075 5.512 -14.010 623 HD11 ILE 87 HD11 ILE 87 -6.579 9.676 -14.740 624 HD12 ILE 87 HD12 ILE 87 -5.849 9.330 -13.158 625 HD13 ILE 87 HD13 ILE 87 -6.571 8.025 -14.081 626 H VAL 88 H VAL 88 -3.190 7.123 -10.289 627 HA VAL 88 HA VAL 88 -0.688 5.552 -10.249 628 HB VAL 88 HB VAL 88 -1.598 5.595 -7.991 629 HG11 VAL 88 HG11 VAL 88 0.337 7.816 -9.033 630 HG12 VAL 88 HG12 VAL 88 0.999 6.293 -8.442 631 HG13 VAL 88 HG13 VAL 88 0.479 7.552 -7.297 632 HG21 VAL 88 HG21 VAL 88 -2.478 5.970 -6.689 633 HG22 VAL 88 HG22 VAL 88 -2.799 7.563 -7.388 634 HG23 VAL 88 HG23 VAL 88 -1.431 7.338 -6.297 635 H ARG 89 H ARG 89 -0.691 3.492 -10.238 636 HA ARG 89 HA ARG 89 -3.074 1.932 -9.489 637 HB2 ARG 89 HB2 ARG 89 -2.630 0.137 -11.430 638 HB3 ARG 89 HB3 ARG 89 -3.200 1.686 -11.944 639 HG2 ARG 89 HG2 ARG 89 -0.932 2.215 -12.732 640 HG3 ARG 89 HG3 ARG 89 -0.392 0.617 -12.177 641 HD2 ARG 89 HD2 ARG 89 -2.090 -0.418 -13.492 642 HD3 ARG 89 HD3 ARG 89 -2.641 1.154 -14.050 643 HE ARG 89 HE ARG 89 0.101 0.950 -14.717 644 HH11 ARG 89 HH11 ARG 89 -2.827 -0.705 -16.127 645 HH12 ARG 89 HH12 ARG 89 -2.054 -0.943 -17.658 646 HH21 ARG 89 HH21 ARG 89 0.977 0.573 -16.758 647 HH22 ARG 89 HH22 ARG 89 0.072 -0.225 -18.001 648 H LEU 90 H LEU 90 -3.015 0.988 -7.684 649 HA LEU 90 HA LEU 90 -0.664 -0.375 -6.603 650 HB2 LEU 90 HB2 LEU 90 -1.918 -0.268 -4.330 651 HB3 LEU 90 HB3 LEU 90 -1.502 1.312 -4.981 652 HG LEU 90 HG LEU 90 -3.517 1.593 -3.840 653 HD11 LEU 90 HD11 LEU 90 -3.962 2.720 -5.586 654 HD12 LEU 90 HD12 LEU 90 -5.406 1.909 -4.955 655 HD13 LEU 90 HD13 LEU 90 -4.627 1.298 -6.431 656 HD21 LEU 90 HD21 LEU 90 -4.670 -0.975 -4.747 657 HD22 LEU 90 HD22 LEU 90 -5.216 0.089 -3.405 658 HD23 LEU 90 HD23 LEU 90 -3.622 -0.722 -3.368 659 H TYR 91 H TYR 91 -0.459 -2.400 -5.904 660 HA TYR 91 HA TYR 91 -2.553 -4.419 -6.412 661 HB2 TYR 91 HB2 TYR 91 -0.415 -4.424 -8.090 662 HB3 TYR 91 HB3 TYR 91 0.414 -5.045 -6.744 663 HD1 TYR 91 HD1 TYR 91 -2.933 -6.187 -8.201 664 HD2 TYR 91 HD2 TYR 91 1.041 -7.217 -7.108 665 HE1 TYR 91 HE1 TYR 91 -3.450 -8.413 -8.722 666 HE2 TYR 91 HE2 TYR 91 0.617 -9.524 -7.645 667 HH TYR 91 HH TYR 91 -2.162 -10.530 -9.425 668 H VAL 92 H VAL 92 -3.366 -5.182 -4.749 669 HA VAL 92 HA VAL 92 -1.894 -5.533 -2.202 670 HB VAL 92 HB VAL 92 -4.029 -5.249 -0.887 671 HG11 VAL 92 HG11 VAL 92 -3.694 -2.910 -2.736 672 HG12 VAL 92 HG12 VAL 92 -2.823 -3.215 -1.237 673 HG13 VAL 92 HG13 VAL 92 -4.556 -2.894 -1.206 674 HG21 VAL 92 HG21 VAL 92 -5.485 -4.822 -3.530 675 HG22 VAL 92 HG22 VAL 92 -6.251 -4.619 -1.907 676 HG23 VAL 92 HG23 VAL 92 -5.549 -6.183 -2.434 677 H MET 93 H MET 93 -2.656 -7.123 -0.572 678 HA MET 93 HA MET 93 -3.236 -9.905 -1.518 679 HB2 MET 93 HB2 MET 93 -1.300 -10.981 -0.188 680 HB3 MET 93 HB3 MET 93 -0.764 -9.963 -1.500 681 HG2 MET 93 HG2 MET 93 -0.053 -8.225 0.130 682 HG3 MET 93 HG3 MET 93 -0.638 -9.225 1.456 683 HE1 MET 93 HE1 MET 93 1.735 -9.029 2.652 684 HE2 MET 93 HE2 MET 93 2.312 -8.015 1.329 685 HE3 MET 93 HE3 MET 93 3.263 -9.402 1.856 686 H ARG 94 H ARG 94 -4.793 -10.943 -0.721 687 HA ARG 94 HA ARG 94 -5.649 -10.749 2.083 688 HB2 ARG 94 HB2 ARG 94 -7.363 -10.883 -0.486 689 HB3 ARG 94 HB3 ARG 94 -8.018 -11.480 1.012 690 HG2 ARG 94 HG2 ARG 94 -7.083 -8.609 0.815 691 HG3 ARG 94 HG3 ARG 94 -8.634 -9.073 0.128 692 HD2 ARG 94 HD2 ARG 94 -9.303 -9.938 2.408 693 HD3 ARG 94 HD3 ARG 94 -7.787 -9.306 3.045 694 HE ARG 94 HE ARG 94 -9.055 -7.174 1.778 695 HH11 ARG 94 HH11 ARG 94 -9.961 -9.029 4.791 696 HH12 ARG 94 HH12 ARG 94 -10.894 -7.710 5.414 697 HH21 ARG 94 HH21 ARG 94 -10.306 -5.559 2.713 698 HH22 ARG 94 HH22 ARG 94 -11.081 -5.779 4.247 699 H ARG 95 H ARG 95 -6.554 -12.646 2.998 700 HA ARG 95 HA ARG 95 -5.383 -15.222 2.192 701 HB2 ARG 95 HB2 ARG 95 -6.420 -14.273 4.875 702 HB3 ARG 95 HB3 ARG 95 -6.339 -16.005 4.594 703 HG2 ARG 95 HG2 ARG 95 -3.927 -15.775 4.123 704 HG3 ARG 95 HG3 ARG 95 -4.021 -14.053 4.516 705 HD2 ARG 95 HD2 ARG 95 -4.810 -14.658 6.788 706 HD3 ARG 95 HD3 ARG 95 -4.641 -16.363 6.353 707 HE ARG 95 HE ARG 95 -2.158 -15.156 5.889 708 HH11 ARG 95 HH11 ARG 95 -3.907 -15.891 9.003 709 HH12 ARG 95 HH12 ARG 95 -2.430 -15.955 9.907 710 HH21 ARG 95 HH21 ARG 95 -0.326 -15.270 7.187 711 HH22 ARG 95 HH22 ARG 95 -0.434 -15.608 8.883 712 H LYS 96 H LYS 96 -6.302 -17.185 1.933 713 HA LYS 96 HA LYS 96 -8.521 -17.493 0.296 714 HB2 LYS 96 HB2 LYS 96 -8.233 -20.101 0.594 715 HB3 LYS 96 HB3 LYS 96 -6.885 -19.216 -0.060 716 HG2 LYS 96 HG2 LYS 96 -5.719 -19.372 2.079 717 HG3 LYS 96 HG3 LYS 96 -7.084 -20.218 2.828 718 HD2 LYS 96 HD2 LYS 96 -6.711 -22.077 1.215 719 HD3 LYS 96 HD3 LYS 96 -5.336 -21.192 0.546 720 HE2 LYS 96 HE2 LYS 96 -4.232 -21.266 2.750 721 HE3 LYS 96 HE3 LYS 96 -5.599 -22.168 3.398 722 HZ1 LYS 96 HZ1 LYS 96 -3.762 -23.624 2.829 723 HZ2 LYS 96 HZ2 LYS 96 -3.789 -23.083 1.228 724 HZ3 LYS 96 HZ3 LYS 96 -5.099 -23.954 1.846 725 HA PRO 97 HA PRO 97 -12.706 -17.352 2.044 726 HB2 PRO 97 HB2 PRO 97 -14.010 -19.697 1.012 727 HB3 PRO 97 HB3 PRO 97 -14.030 -18.070 0.336 728 HG2 PRO 97 HG2 PRO 97 -12.272 -20.392 -0.342 729 HG3 PRO 97 HG3 PRO 97 -12.947 -19.150 -1.409 730 HD2 PRO 97 HD2 PRO 97 -10.384 -19.084 -0.752 731 HD3 PRO 97 HD3 PRO 97 -11.320 -17.578 -0.796 732 HA PRO 98 HA PRO 98 -12.837 -19.793 6.142 733 HB2 PRO 98 HB2 PRO 98 -14.539 -17.614 7.245 734 HB3 PRO 98 HB3 PRO 98 -12.956 -18.168 7.789 735 HG2 PRO 98 HG2 PRO 98 -13.269 -15.775 6.596 736 HG3 PRO 98 HG3 PRO 98 -11.817 -16.756 6.323 737 HD2 PRO 98 HD2 PRO 98 -14.260 -16.468 4.579 738 HD3 PRO 98 HD3 PRO 98 -12.544 -16.364 4.118 739 H ALA 99 H ALA 99 -15.888 -18.563 4.574 740 HA ALA 99 HA ALA 99 -17.579 -20.627 5.815 741 HB1 ALA 99 HB1 ALA 99 -18.346 -18.265 6.252 742 HB2 ALA 99 HB2 ALA 99 -19.570 -19.199 5.396 743 HB3 ALA 99 HB3 ALA 99 -18.577 -18.041 4.515 744 H1 VAL 1 H1 VAL 1 3.797 -0.997 17.301 745 H2 VAL 1 H2 VAL 1 5.289 -0.875 16.514 746 H3 VAL 1 H3 VAL 1 4.621 0.482 17.268 747 HA VAL 1 HA VAL 1 4.894 -0.312 19.329 748 HB VAL 1 HB VAL 1 4.234 -2.703 18.746 749 HG11 VAL 1 HG11 VAL 1 5.602 -3.547 17.065 750 HG12 VAL 1 HG12 VAL 1 5.782 -4.623 18.445 751 HG13 VAL 1 HG13 VAL 1 7.047 -3.463 18.068 752 HG21 VAL 1 HG21 VAL 1 4.671 -2.371 21.079 753 HG22 VAL 1 HG22 VAL 1 6.405 -2.585 20.850 754 HG23 VAL 1 HG23 VAL 1 5.318 -3.962 20.659 755 H VAL 2 H VAL 2 7.521 -1.343 17.114 756 HA VAL 2 HA VAL 2 9.382 0.614 18.297 757 HB VAL 2 HB VAL 2 11.377 -0.737 17.205 758 HG11 VAL 2 HG11 VAL 2 11.558 -2.468 18.930 759 HG12 VAL 2 HG12 VAL 2 9.877 -2.169 19.368 760 HG13 VAL 2 HG13 VAL 2 11.076 -0.889 19.559 761 HG21 VAL 2 HG21 VAL 2 10.212 -2.209 15.557 762 HG22 VAL 2 HG22 VAL 2 9.317 -2.995 16.840 763 HG23 VAL 2 HG23 VAL 2 11.063 -3.226 16.727 764 H SER 3 H SER 3 7.212 1.227 16.217 765 HA SER 3 HA SER 3 8.121 1.619 13.681 766 HB2 SER 3 HB2 SER 3 5.823 0.933 14.378 767 HB3 SER 3 HB3 SER 3 5.580 2.475 15.176 768 HG SER 3 HG SER 3 5.557 3.471 13.147 769 H GLU 4 H GLU 4 8.070 3.446 12.529 770 HA GLU 4 HA GLU 4 9.411 5.843 12.684 771 HB2 GLU 4 HB2 GLU 4 8.059 6.160 10.378 772 HB3 GLU 4 HB3 GLU 4 9.155 4.749 10.489 773 HG2 GLU 4 HG2 GLU 4 6.880 3.580 11.044 774 HG3 GLU 4 HG3 GLU 4 6.202 5.109 10.462 775 H ARG 5 H ARG 5 8.190 8.069 11.604 776 HA ARG 5 HA ARG 5 6.440 9.336 13.498 777 HB2 ARG 5 HB2 ARG 5 6.622 11.457 12.014 778 HB3 ARG 5 HB3 ARG 5 8.147 10.833 12.583 779 HG2 ARG 5 HG2 ARG 5 8.589 9.906 10.256 780 HG3 ARG 5 HG3 ARG 5 7.060 10.581 9.722 781 HD2 ARG 5 HD2 ARG 5 9.331 12.263 10.833 782 HD3 ARG 5 HD3 ARG 5 9.167 11.890 9.125 783 HE ARG 5 HE ARG 5 6.759 13.109 10.090 784 HH11 ARG 5 HH11 ARG 5 10.040 14.362 9.121 785 HH12 ARG 5 HH12 ARG 5 9.426 15.950 8.802 786 HH21 ARG 5 HH21 ARG 5 6.102 15.210 9.638 787 HH22 ARG 5 HH22 ARG 5 7.222 16.413 9.093 788 H ILE 6 H ILE 6 5.751 7.947 10.286 789 HA ILE 6 HA ILE 6 4.090 7.703 8.925 790 HB ILE 6 HB ILE 6 3.791 5.647 10.321 791 HG12 ILE 6 HG12 ILE 6 1.553 4.710 10.044 792 HG13 ILE 6 HG13 ILE 6 0.828 6.269 9.615 793 HG21 ILE 6 HG21 ILE 6 2.145 5.238 12.067 794 HG22 ILE 6 HG22 ILE 6 1.800 6.969 12.099 795 HG23 ILE 6 HG23 ILE 6 3.424 6.384 12.496 796 HD11 ILE 6 HD11 ILE 6 2.353 5.995 7.482 797 HD12 ILE 6 HD12 ILE 6 0.973 4.982 7.580 798 HD13 ILE 6 HD13 ILE 6 2.541 4.324 7.980 799 H SER 7 H SER 7 4.087 9.691 8.206 800 HA SER 7 HA SER 7 1.458 11.091 8.023 801 HB2 SER 7 HB2 SER 7 4.256 12.415 8.081 802 HB3 SER 7 HB3 SER 7 2.794 13.300 7.663 803 HG SER 7 HG SER 7 2.433 11.999 9.989 804 H SER 8 H SER 8 2.541 8.904 6.306 805 HA SER 8 HA SER 8 3.528 9.770 3.724 806 HB2 SER 8 HB2 SER 8 2.761 6.943 4.707 807 HB3 SER 8 HB3 SER 8 3.545 7.304 3.202 808 HG SER 8 HG SER 8 5.404 7.617 4.176 809 H VAL 9 H VAL 9 2.372 8.157 1.660 810 HA VAL 9 HA VAL 9 -0.413 9.167 1.297 811 HB VAL 9 HB VAL 9 1.456 8.571 -1.234 812 HG11 VAL 9 HG11 VAL 9 -0.850 8.929 -1.808 813 HG12 VAL 9 HG12 VAL 9 0.152 10.214 -2.480 814 HG13 VAL 9 HG13 VAL 9 -0.833 10.522 -1.052 815 HG21 VAL 9 HG21 VAL 9 1.360 11.368 0.011 816 HG22 VAL 9 HG22 VAL 9 2.121 10.953 -1.524 817 HG23 VAL 9 HG23 VAL 9 2.769 10.304 -0.019 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -5.919 -30.258 3.310 2 H2 GLY 1 H2 GLY 1 -5.052 -30.388 4.757 3 H3 GLY 1 H3 GLY 1 -5.713 -31.771 4.041 4 HA2 GLY 1 HA2 GLY 1 -3.336 -31.685 3.649 5 HA3 GLY 1 HA3 GLY 1 -4.238 -31.552 2.147 6 H ALA 2 H ALA 2 -4.075 -29.760 0.859 7 HA ALA 2 HA ALA 2 -2.225 -27.565 1.618 8 HB1 ALA 2 HB1 ALA 2 -2.771 -28.574 -1.217 9 HB2 ALA 2 HB2 ALA 2 -1.347 -28.993 -0.259 10 HB3 ALA 2 HB3 ALA 2 -1.609 -27.325 -0.771 11 H MET 3 H MET 3 -2.806 -25.467 1.656 12 HA MET 3 HA MET 3 -5.348 -24.563 0.467 13 HB2 MET 3 HB2 MET 3 -4.274 -23.860 3.206 14 HB3 MET 3 HB3 MET 3 -5.182 -22.627 2.362 15 HG2 MET 3 HG2 MET 3 -6.238 -25.382 3.115 16 HG3 MET 3 HG3 MET 3 -6.493 -23.839 3.951 17 HE1 MET 3 HE1 MET 3 -8.842 -25.886 3.014 18 HE2 MET 3 HE2 MET 3 -10.052 -24.729 2.456 19 HE3 MET 3 HE3 MET 3 -9.141 -24.410 3.932 20 H GLU 4 H GLU 4 -5.691 -22.693 -0.493 21 HA GLU 4 HA GLU 4 -3.408 -21.122 -1.399 22 HB2 GLU 4 HB2 GLU 4 -4.398 -20.751 -3.704 23 HB3 GLU 4 HB3 GLU 4 -3.865 -22.380 -3.371 24 HG2 GLU 4 HG2 GLU 4 -6.225 -23.082 -3.073 25 HG3 GLU 4 HG3 GLU 4 -6.757 -21.438 -3.414 26 H MET 5 H MET 5 -3.648 -18.963 -2.358 27 HA MET 5 HA MET 5 -5.471 -17.202 -0.874 28 HB2 MET 5 HB2 MET 5 -3.632 -15.379 -1.043 29 HB3 MET 5 HB3 MET 5 -3.194 -16.744 -0.042 30 HG2 MET 5 HG2 MET 5 -1.893 -17.601 -2.015 31 HG3 MET 5 HG3 MET 5 -2.173 -16.120 -2.854 32 HE1 MET 5 HE1 MET 5 -0.749 -17.180 0.869 33 HE2 MET 5 HE2 MET 5 0.914 -16.629 0.664 34 HE3 MET 5 HE3 MET 5 0.287 -17.931 -0.347 35 H GLU 6 H GLU 6 -5.884 -14.988 -1.834 36 HA GLU 6 HA GLU 6 -6.339 -14.848 -4.718 37 HB2 GLU 6 HB2 GLU 6 -8.787 -13.941 -4.560 38 HB3 GLU 6 HB3 GLU 6 -8.621 -15.623 -4.147 39 HG2 GLU 6 HG2 GLU 6 -8.939 -15.056 -1.726 40 HG3 GLU 6 HG3 GLU 6 -9.016 -13.348 -2.130 41 H TYR 7 H TYR 7 -5.735 -13.144 -5.786 42 HA TYR 7 HA TYR 7 -4.894 -10.685 -4.345 43 HB2 TYR 7 HB2 TYR 7 -3.905 -11.653 -7.096 44 HB3 TYR 7 HB3 TYR 7 -3.325 -10.253 -6.268 45 HD1 TYR 7 HD1 TYR 7 -3.210 -14.011 -6.123 46 HD2 TYR 7 HD2 TYR 7 -1.590 -10.357 -4.703 47 HE1 TYR 7 HE1 TYR 7 -1.349 -15.262 -5.198 48 HE2 TYR 7 HE2 TYR 7 0.388 -11.594 -3.777 49 HH TYR 7 HH TYR 7 1.030 -14.851 -4.543 50 H GLU 8 H GLU 8 -5.287 -8.539 -5.018 51 HA GLU 8 HA GLU 8 -7.361 -8.067 -7.107 52 HB2 GLU 8 HB2 GLU 8 -8.378 -8.075 -4.636 53 HB3 GLU 8 HB3 GLU 8 -7.522 -6.579 -4.394 54 HG2 GLU 8 HG2 GLU 8 -9.839 -5.992 -4.740 55 HG3 GLU 8 HG3 GLU 8 -9.021 -5.548 -6.222 56 H GLU 9 H GLU 9 -7.050 -6.433 -8.546 57 HA GLU 9 HA GLU 9 -4.948 -4.509 -8.104 58 HB2 GLU 9 HB2 GLU 9 -4.686 -4.251 -10.688 59 HB3 GLU 9 HB3 GLU 9 -4.223 -5.777 -9.982 60 HG2 GLU 9 HG2 GLU 9 -5.178 -6.341 -12.119 61 HG3 GLU 9 HG3 GLU 9 -6.405 -6.773 -10.951 62 H ILE 10 H ILE 10 -5.376 -2.397 -7.608 63 HA ILE 10 HA ILE 10 -7.930 -1.177 -8.509 64 HB ILE 10 HB ILE 10 -6.391 -0.627 -5.837 65 HG12 ILE 10 HG12 ILE 10 -9.271 -1.552 -5.596 66 HG13 ILE 10 HG13 ILE 10 -8.122 -2.745 -6.179 67 HG21 ILE 10 HG21 ILE 10 -8.986 0.873 -6.614 68 HG22 ILE 10 HG22 ILE 10 -7.353 1.538 -6.310 69 HG23 ILE 10 HG23 ILE 10 -8.263 0.869 -4.982 70 HD11 ILE 10 HD11 ILE 10 -8.213 -3.136 -3.825 71 HD12 ILE 10 HD12 ILE 10 -8.288 -1.403 -3.494 72 HD13 ILE 10 HD13 ILE 10 -6.755 -2.110 -4.062 73 H THR 11 H THR 11 -7.971 0.844 -9.515 74 HA THR 11 HA THR 11 -5.457 2.353 -9.981 75 HB THR 11 HB THR 11 -7.685 2.496 -12.155 76 HG1 THR 11 HG1 THR 11 -6.026 0.306 -11.666 77 HG21 THR 11 HG21 THR 11 -5.770 2.928 -13.722 78 HG22 THR 11 HG22 THR 11 -4.649 2.666 -12.374 79 HG23 THR 11 HG23 THR 11 -5.710 4.057 -12.353 80 H LEU 12 H LEU 12 -5.318 4.268 -9.161 81 HA LEU 12 HA LEU 12 -7.649 5.953 -8.439 82 HB2 LEU 12 HB2 LEU 12 -4.990 5.590 -6.938 83 HB3 LEU 12 HB3 LEU 12 -5.968 6.990 -6.671 84 HG LEU 12 HG LEU 12 -6.785 4.117 -5.835 85 HD11 LEU 12 HD11 LEU 12 -6.215 4.783 -3.649 86 HD12 LEU 12 HD12 LEU 12 -5.611 6.328 -4.252 87 HD13 LEU 12 HD13 LEU 12 -4.824 4.824 -4.730 88 HD21 LEU 12 HD21 LEU 12 -8.475 5.211 -4.443 89 HD22 LEU 12 HD22 LEU 12 -8.758 5.706 -6.111 90 HD23 LEU 12 HD23 LEU 12 -7.955 6.807 -4.993 91 H GLU 13 H GLU 13 -7.668 8.174 -8.917 92 HA GLU 13 HA GLU 13 -5.329 9.367 -10.198 93 HB2 GLU 13 HB2 GLU 13 -6.836 11.239 -11.169 94 HB3 GLU 13 HB3 GLU 13 -7.217 9.655 -11.770 95 HG2 GLU 13 HG2 GLU 13 -9.185 9.723 -10.070 96 HG3 GLU 13 HG3 GLU 13 -8.720 11.417 -9.921 97 H ARG 14 H ARG 14 -4.167 10.964 -9.349 98 HA ARG 14 HA ARG 14 -3.791 11.121 -6.563 99 HB2 ARG 14 HB2 ARG 14 -2.023 11.303 -8.497 100 HB3 ARG 14 HB3 ARG 14 -2.440 12.985 -8.619 101 HG2 ARG 14 HG2 ARG 14 -1.270 11.892 -6.018 102 HG3 ARG 14 HG3 ARG 14 -0.217 12.213 -7.378 103 HD2 ARG 14 HD2 ARG 14 -1.986 14.326 -6.053 104 HD3 ARG 14 HD3 ARG 14 -0.313 14.041 -5.596 105 HE ARG 14 HE ARG 14 -0.387 14.576 -8.379 106 HH11 ARG 14 HH11 ARG 14 -0.836 16.710 -5.461 107 HH12 ARG 14 HH12 ARG 14 -0.376 18.131 -6.338 108 HH21 ARG 14 HH21 ARG 14 0.188 16.495 -9.386 109 HH22 ARG 14 HH22 ARG 14 0.194 18.001 -8.532 110 H GLY 15 H GLY 15 -4.835 12.006 -5.011 111 HA2 GLY 15 HA2 GLY 15 -6.819 14.112 -5.144 112 HA3 GLY 15 HA3 GLY 15 -6.267 13.335 -3.687 113 H ASN 16 H ASN 16 -7.143 16.039 -3.901 114 HA ASN 16 HA ASN 16 -5.015 17.970 -3.984 115 HB2 ASN 16 HB2 ASN 16 -6.764 19.745 -3.263 116 HB3 ASN 16 HB3 ASN 16 -7.162 18.867 -4.716 117 HD21 ASN 16 HD21 ASN 16 -9.039 17.519 -4.694 118 HD22 ASN 16 HD22 ASN 16 -10.233 17.599 -3.448 119 H SER 17 H SER 17 -6.357 16.268 -1.215 120 HA SER 17 HA SER 17 -4.610 17.572 0.750 121 HB2 SER 17 HB2 SER 17 -5.893 16.211 2.513 122 HB3 SER 17 HB3 SER 17 -6.907 17.301 1.584 123 HG SER 17 HG SER 17 -6.744 14.777 0.493 124 H GLY 18 H GLY 18 -4.603 14.540 -1.192 125 HA2 GLY 18 HA2 GLY 18 -2.432 13.472 -1.601 126 HA3 GLY 18 HA3 GLY 18 -2.157 13.507 0.136 127 H LEU 19 H LEU 19 -4.677 12.458 -2.200 128 HA LEU 19 HA LEU 19 -6.249 10.982 -2.367 129 HB2 LEU 19 HB2 LEU 19 -3.967 9.073 -1.724 130 HB3 LEU 19 HB3 LEU 19 -5.584 8.353 -1.967 131 HG LEU 19 HG LEU 19 -4.420 7.901 -3.781 132 HD11 LEU 19 HD11 LEU 19 -5.594 10.358 -4.797 133 HD12 LEU 19 HD12 LEU 19 -6.218 8.707 -4.755 134 HD13 LEU 19 HD13 LEU 19 -4.831 9.095 -5.777 135 HD21 LEU 19 HD21 LEU 19 -2.426 8.869 -3.058 136 HD22 LEU 19 HD22 LEU 19 -2.828 10.440 -3.748 137 HD23 LEU 19 HD23 LEU 19 -2.556 9.029 -4.809 138 H GLY 20 H GLY 20 -5.415 9.327 0.680 139 HA2 GLY 20 HA2 GLY 20 -7.094 10.304 2.545 140 HA3 GLY 20 HA3 GLY 20 -8.215 9.425 1.525 141 H PHE 21 H PHE 21 -4.789 8.461 2.328 142 HA PHE 21 HA PHE 21 -5.352 6.618 4.396 143 HB2 PHE 21 HB2 PHE 21 -4.640 4.513 3.263 144 HB3 PHE 21 HB3 PHE 21 -5.930 5.187 2.353 145 HD1 PHE 21 HD1 PHE 21 -5.135 6.557 -0.048 146 HD2 PHE 21 HD2 PHE 21 -2.805 3.643 2.122 147 HE1 PHE 21 HE1 PHE 21 -3.907 6.021 -2.113 148 HE2 PHE 21 HE2 PHE 21 -1.546 3.139 0.012 149 HZ PHE 21 HZ PHE 21 -2.104 4.336 -2.074 150 H SER 22 H SER 22 -3.007 5.636 5.325 151 HA SER 22 HA SER 22 -0.641 6.933 4.220 152 HB2 SER 22 HB2 SER 22 -1.301 6.787 7.203 153 HB3 SER 22 HB3 SER 22 0.311 7.120 6.553 154 HG SER 22 HG SER 22 -0.774 9.080 7.053 155 H ILE 23 H ILE 23 1.418 5.720 4.324 156 HA ILE 23 HA ILE 23 1.174 2.880 5.011 157 HB ILE 23 HB ILE 23 2.548 2.116 2.960 158 HG12 ILE 23 HG12 ILE 23 1.729 3.192 0.717 159 HG13 ILE 23 HG13 ILE 23 1.209 4.570 1.658 160 HG21 ILE 23 HG21 ILE 23 0.573 1.255 3.483 161 HG22 ILE 23 HG22 ILE 23 0.282 1.769 1.762 162 HG23 ILE 23 HG23 ILE 23 -0.203 2.780 3.181 163 HD11 ILE 23 HD11 ILE 23 4.101 3.747 1.037 164 HD12 ILE 23 HD12 ILE 23 3.657 5.066 2.123 165 HD13 ILE 23 HD13 ILE 23 3.219 5.157 0.430 166 H ALA 24 H ALA 24 2.443 1.538 5.823 167 HA ALA 24 HA ALA 24 5.043 2.600 6.785 168 HB1 ALA 24 HB1 ALA 24 3.228 0.559 8.197 169 HB2 ALA 24 HB2 ALA 24 3.422 2.256 8.637 170 HB3 ALA 24 HB3 ALA 24 4.774 1.133 8.813 171 H GLY 25 H GLY 25 6.843 1.806 6.075 172 HA2 GLY 25 HA2 GLY 25 7.577 -0.905 5.510 173 HA3 GLY 25 HA3 GLY 25 7.173 -0.078 4.018 174 H GLY 26 H GLY 26 9.670 -1.154 4.394 175 HA2 GLY 26 HA2 GLY 26 11.652 0.788 4.074 176 HA3 GLY 26 HA3 GLY 26 11.598 0.546 5.796 177 H THR 27 H THR 27 13.736 0.220 3.780 178 HA THR 27 HA THR 27 14.664 -2.454 4.590 179 HB THR 27 HB THR 27 16.789 -1.946 3.005 180 HG1 THR 27 HG1 THR 27 15.676 -0.750 1.074 181 HG21 THR 27 HG21 THR 27 15.293 -3.799 2.579 182 HG22 THR 27 HG22 THR 27 15.690 -3.014 1.053 183 HG23 THR 27 HG23 THR 27 14.123 -2.732 1.812 184 H ASP 28 H ASP 28 15.791 0.948 4.758 185 HA ASP 28 HA ASP 28 17.713 0.304 6.855 186 HB2 ASP 28 HB2 ASP 28 17.572 2.819 5.098 187 HB3 ASP 28 HB3 ASP 28 18.565 2.798 6.540 188 H ASN 29 H ASN 29 14.671 2.158 6.379 189 HA ASN 29 HA ASN 29 14.547 3.127 9.143 190 HB2 ASN 29 HB2 ASN 29 12.963 4.130 6.681 191 HB3 ASN 29 HB3 ASN 29 12.517 4.604 8.306 192 HD21 ASN 29 HD21 ASN 29 14.763 5.055 5.675 193 HD22 ASN 29 HD22 ASN 29 15.580 6.439 6.309 194 HA PRO 30 HA PRO 30 11.626 -0.558 9.885 195 HB2 PRO 30 HB2 PRO 30 11.898 -0.540 12.745 196 HB3 PRO 30 HB3 PRO 30 12.752 -1.515 11.575 197 HG2 PRO 30 HG2 PRO 30 13.885 0.529 13.177 198 HG3 PRO 30 HG3 PRO 30 14.674 -0.375 11.881 199 HD2 PRO 30 HD2 PRO 30 13.575 2.395 11.839 200 HD3 PRO 30 HD3 PRO 30 14.832 1.644 10.853 201 H HIS 31 H HIS 31 9.625 -1.213 10.630 202 HA HIS 31 HA HIS 31 7.675 0.731 11.642 203 HB2 HIS 31 HB2 HIS 31 6.763 0.050 9.505 204 HB3 HIS 31 HB3 HIS 31 7.457 -1.541 9.603 205 HD1 HIS 31 HD1 HIS 31 4.431 0.252 11.286 206 HD2 HIS 31 HD2 HIS 31 5.478 -3.424 9.693 207 HE1 HIS 31 HE1 HIS 31 2.356 -1.183 11.456 208 HE2 HIS 31 HE2 HIS 31 3.010 -3.380 10.436 209 H ILE 32 H ILE 32 8.550 -2.831 12.122 210 HA ILE 32 HA ILE 32 7.039 -3.038 14.602 211 HB ILE 32 HB ILE 32 6.582 -4.537 12.487 212 HG12 ILE 32 HG12 ILE 32 6.483 -6.806 13.972 213 HG13 ILE 32 HG13 ILE 32 6.717 -5.539 15.195 214 HG21 ILE 32 HG21 ILE 32 9.005 -6.186 13.178 215 HG22 ILE 32 HG22 ILE 32 8.672 -5.318 11.681 216 HG23 ILE 32 HG23 ILE 32 7.695 -6.718 12.118 217 HD11 ILE 32 HD11 ILE 32 4.687 -4.439 14.563 218 HD12 ILE 32 HD12 ILE 32 4.262 -6.144 14.811 219 HD13 ILE 32 HD13 ILE 32 4.481 -5.495 13.158 220 H GLY 33 H GLY 33 10.228 -3.134 13.437 221 HA2 GLY 33 HA2 GLY 33 11.937 -3.049 15.709 222 HA3 GLY 33 HA3 GLY 33 11.699 -4.758 15.302 223 H ASP 34 H ASP 34 11.980 -5.200 12.883 224 HA ASP 34 HA ASP 34 13.649 -3.854 11.087 225 HB2 ASP 34 HB2 ASP 34 15.589 -4.715 12.780 226 HB3 ASP 34 HB3 ASP 34 15.225 -6.331 12.223 227 H ASP 35 H ASP 35 11.680 -4.273 9.958 228 HA ASP 35 HA ASP 35 11.142 -6.917 8.885 229 HB2 ASP 35 HB2 ASP 35 9.021 -5.847 7.975 230 HB3 ASP 35 HB3 ASP 35 9.068 -6.017 9.724 231 HA PRO 36 HA PRO 36 12.526 -6.018 4.438 232 HB2 PRO 36 HB2 PRO 36 11.367 -8.539 3.443 233 HB3 PRO 36 HB3 PRO 36 13.065 -8.101 3.615 234 HG2 PRO 36 HG2 PRO 36 11.874 -10.008 5.161 235 HG3 PRO 36 HG3 PRO 36 13.212 -9.005 5.748 236 HD2 PRO 36 HD2 PRO 36 10.254 -8.692 6.231 237 HD3 PRO 36 HD3 PRO 36 11.590 -8.596 7.401 238 H SER 37 H SER 37 9.013 -6.942 4.884 239 HA SER 37 HA SER 37 8.117 -5.860 2.285 240 HB2 SER 37 HB2 SER 37 5.941 -7.162 2.694 241 HB3 SER 37 HB3 SER 37 7.371 -8.175 2.613 242 HG SER 37 HG SER 37 5.564 -8.024 4.567 243 H ILE 38 H ILE 38 6.115 -4.530 1.954 244 HA ILE 38 HA ILE 38 5.689 -2.445 4.016 245 HB ILE 38 HB ILE 38 4.611 -2.061 1.145 246 HG12 ILE 38 HG12 ILE 38 6.803 -2.065 -0.048 247 HG13 ILE 38 HG13 ILE 38 6.787 -0.521 0.581 248 HG21 ILE 38 HG21 ILE 38 5.431 0.143 2.987 249 HG22 ILE 38 HG22 ILE 38 3.818 -0.319 2.448 250 HG23 ILE 38 HG23 ILE 38 4.956 0.385 1.301 251 HD11 ILE 38 HD11 ILE 38 9.016 -1.661 0.785 252 HD12 ILE 38 HD12 ILE 38 8.358 -2.575 2.131 253 HD13 ILE 38 HD13 ILE 38 8.439 -0.808 2.222 254 H PHE 39 H PHE 39 3.674 -1.942 4.998 255 HA PHE 39 HA PHE 39 1.195 -3.513 4.464 256 HB2 PHE 39 HB2 PHE 39 2.307 -2.965 7.308 257 HB3 PHE 39 HB3 PHE 39 0.759 -3.670 6.986 258 HD1 PHE 39 HD1 PHE 39 1.273 -6.146 5.431 259 HD2 PHE 39 HD2 PHE 39 3.734 -4.299 8.399 260 HE1 PHE 39 HE1 PHE 39 2.299 -8.342 5.968 261 HE2 PHE 39 HE2 PHE 39 4.723 -6.459 8.964 262 HZ PHE 39 HZ PHE 39 4.019 -8.502 7.732 263 H ILE 40 H ILE 40 -0.958 -2.470 5.072 264 HA ILE 40 HA ILE 40 -1.046 0.411 5.577 265 HB ILE 40 HB ILE 40 -3.623 -1.195 5.682 266 HG12 ILE 40 HG12 ILE 40 -2.736 -2.283 3.587 267 HG13 ILE 40 HG13 ILE 40 -4.139 -1.339 3.198 268 HG21 ILE 40 HG21 ILE 40 -4.025 1.108 6.043 269 HG22 ILE 40 HG22 ILE 40 -4.814 0.634 4.548 270 HG23 ILE 40 HG23 ILE 40 -3.306 1.554 4.482 271 HD11 ILE 40 HD11 ILE 40 -1.247 -0.827 2.538 272 HD12 ILE 40 HD12 ILE 40 -2.466 0.411 2.505 273 HD13 ILE 40 HD13 ILE 40 -2.641 -1.013 1.385 274 H THR 41 H THR 41 -2.020 1.364 7.278 275 HA THR 41 HA THR 41 -2.853 0.142 9.754 276 HB THR 41 HB THR 41 -1.192 1.541 11.330 277 HG1 THR 41 HG1 THR 41 0.343 1.403 8.994 278 HG21 THR 41 HG21 THR 41 0.414 -0.299 11.582 279 HG22 THR 41 HG22 THR 41 -0.081 -0.955 10.038 280 HG23 THR 41 HG23 THR 41 -1.227 -0.943 11.394 281 H LYS 42 H LYS 42 -2.667 3.194 7.802 282 HA LYS 42 HA LYS 42 -4.673 4.338 9.615 283 HB2 LYS 42 HB2 LYS 42 -2.172 5.477 9.562 284 HB3 LYS 42 HB3 LYS 42 -2.789 6.233 8.123 285 HG2 LYS 42 HG2 LYS 42 -4.316 6.542 10.654 286 HG3 LYS 42 HG3 LYS 42 -2.815 7.456 10.483 287 HD2 LYS 42 HD2 LYS 42 -3.817 8.432 8.343 288 HD3 LYS 42 HD3 LYS 42 -5.319 7.611 8.745 289 HE2 LYS 42 HE2 LYS 42 -3.969 9.492 10.600 290 HE3 LYS 42 HE3 LYS 42 -5.057 10.104 9.339 291 HZ1 LYS 42 HZ1 LYS 42 -6.240 9.905 11.485 292 HZ2 LYS 42 HZ2 LYS 42 -5.804 8.277 11.614 293 HZ3 LYS 42 HZ3 LYS 42 -6.867 8.769 10.396 294 H ILE 43 H ILE 43 -6.611 4.745 8.748 295 HA ILE 43 HA ILE 43 -6.921 5.400 5.940 296 HB ILE 43 HB ILE 43 -8.831 3.574 7.593 297 HG12 ILE 43 HG12 ILE 43 -7.134 2.093 6.623 298 HG13 ILE 43 HG13 ILE 43 -8.574 1.682 5.837 299 HG21 ILE 43 HG21 ILE 43 -10.520 4.791 6.559 300 HG22 ILE 43 HG22 ILE 43 -10.521 3.200 5.765 301 HG23 ILE 43 HG23 ILE 43 -9.794 4.604 4.957 302 HD11 ILE 43 HD11 ILE 43 -6.714 1.615 4.206 303 HD12 ILE 43 HD12 ILE 43 -6.210 3.230 4.644 304 HD13 ILE 43 HD13 ILE 43 -7.704 3.020 3.741 305 H ILE 44 H ILE 44 -7.921 7.406 5.498 306 HA ILE 44 HA ILE 44 -9.065 9.069 7.565 307 HB ILE 44 HB ILE 44 -8.292 9.699 4.592 308 HG12 ILE 44 HG12 ILE 44 -6.779 11.536 5.579 309 HG13 ILE 44 HG13 ILE 44 -7.087 10.789 7.159 310 HG21 ILE 44 HG21 ILE 44 -8.710 12.115 4.733 311 HG22 ILE 44 HG22 ILE 44 -9.559 11.875 6.270 312 HG23 ILE 44 HG23 ILE 44 -10.188 11.144 4.785 313 HD11 ILE 44 HD11 ILE 44 -6.010 8.816 6.367 314 HD12 ILE 44 HD12 ILE 44 -4.893 10.206 6.173 315 HD13 ILE 44 HD13 ILE 44 -5.806 9.534 4.778 316 HA PRO 45 HA PRO 45 -13.619 7.962 6.969 317 HB2 PRO 45 HB2 PRO 45 -14.375 10.561 8.263 318 HB3 PRO 45 HB3 PRO 45 -14.762 8.915 8.766 319 HG2 PRO 45 HG2 PRO 45 -12.981 10.343 10.140 320 HG3 PRO 45 HG3 PRO 45 -12.691 8.622 9.831 321 HD2 PRO 45 HD2 PRO 45 -11.538 11.009 8.374 322 HD3 PRO 45 HD3 PRO 45 -10.681 9.595 9.003 323 H GLY 46 H GLY 46 -12.541 11.086 5.589 324 HA2 GLY 46 HA2 GLY 46 -14.688 11.084 3.529 325 HA3 GLY 46 HA3 GLY 46 -14.164 12.571 4.281 326 H GLY 47 H GLY 47 -11.923 9.877 3.150 327 HA2 GLY 47 HA2 GLY 47 -10.572 11.587 1.191 328 HA3 GLY 47 HA3 GLY 47 -10.034 10.034 1.779 329 H ALA 48 H ALA 48 -9.481 10.141 -0.658 330 HA ALA 48 HA ALA 48 -11.454 9.606 -2.695 331 HB1 ALA 48 HB1 ALA 48 -9.483 11.136 -3.099 332 HB2 ALA 48 HB2 ALA 48 -9.570 9.860 -4.311 333 HB3 ALA 48 HB3 ALA 48 -8.410 9.762 -2.985 334 H ALA 49 H ALA 49 -8.927 7.535 -1.054 335 HA ALA 49 HA ALA 49 -9.432 5.111 -2.584 336 HB1 ALA 49 HB1 ALA 49 -7.180 5.645 -1.800 337 HB2 ALA 49 HB2 ALA 49 -7.703 4.056 -1.267 338 HB3 ALA 49 HB3 ALA 49 -7.694 5.408 -0.122 339 H ALA 50 H ALA 50 -10.793 6.360 0.438 340 HA ALA 50 HA ALA 50 -11.925 3.877 1.470 341 HB1 ALA 50 HB1 ALA 50 -12.288 6.711 2.563 342 HB2 ALA 50 HB2 ALA 50 -11.011 5.615 3.052 343 HB3 ALA 50 HB3 ALA 50 -12.688 5.220 3.414 344 H GLN 51 H GLN 51 -13.311 6.911 -0.101 345 HA GLN 51 HA GLN 51 -16.013 5.872 -0.273 346 HB2 GLN 51 HB2 GLN 51 -14.944 8.612 -1.139 347 HB3 GLN 51 HB3 GLN 51 -16.633 8.159 -1.251 348 HG2 GLN 51 HG2 GLN 51 -16.461 7.822 1.347 349 HG3 GLN 51 HG3 GLN 51 -14.969 8.655 1.219 350 HE21 GLN 51 HE21 GLN 51 -15.763 10.866 -0.635 351 HE22 GLN 51 HE22 GLN 51 -16.851 11.892 0.233 352 H ASP 52 H ASP 52 -13.565 7.015 -2.913 353 HA ASP 52 HA ASP 52 -15.260 6.006 -5.037 354 HB2 ASP 52 HB2 ASP 52 -12.967 7.946 -4.942 355 HB3 ASP 52 HB3 ASP 52 -13.369 7.202 -6.467 356 H GLY 53 H GLY 53 -12.139 4.920 -3.607 357 HA2 GLY 53 HA2 GLY 53 -11.194 3.351 -5.924 358 HA3 GLY 53 HA3 GLY 53 -10.338 3.597 -4.429 359 H ARG 54 H ARG 54 -12.035 2.457 -2.497 360 HA ARG 54 HA ARG 54 -12.791 0.804 -1.399 361 HB2 ARG 54 HB2 ARG 54 -13.322 -0.619 -3.985 362 HB3 ARG 54 HB3 ARG 54 -13.445 -1.603 -2.547 363 HG2 ARG 54 HG2 ARG 54 -15.725 -1.016 -2.904 364 HG3 ARG 54 HG3 ARG 54 -15.232 0.276 -1.829 365 HD2 ARG 54 HD2 ARG 54 -14.954 1.780 -3.802 366 HD3 ARG 54 HD3 ARG 54 -15.463 0.465 -4.862 367 HE ARG 54 HE ARG 54 -17.448 0.896 -2.883 368 HH11 ARG 54 HH11 ARG 54 -16.522 2.665 -5.933 369 HH12 ARG 54 HH12 ARG 54 -18.097 3.367 -6.095 370 HH21 ARG 54 HH21 ARG 54 -19.439 1.873 -3.220 371 HH22 ARG 54 HH22 ARG 54 -19.723 2.917 -4.572 372 H LEU 55 H LEU 55 -10.478 1.327 -0.818 373 HA LEU 55 HA LEU 55 -9.120 -1.154 -0.103 374 HB2 LEU 55 HB2 LEU 55 -7.726 0.294 -1.367 375 HB3 LEU 55 HB3 LEU 55 -8.149 1.728 -0.469 376 HG LEU 55 HG LEU 55 -6.674 0.180 1.375 377 HD11 LEU 55 HD11 LEU 55 -4.656 -0.493 0.245 378 HD12 LEU 55 HD12 LEU 55 -5.383 -0.129 -1.318 379 HD13 LEU 55 HD13 LEU 55 -6.036 -1.433 -0.323 380 HD21 LEU 55 HD21 LEU 55 -6.697 2.514 0.899 381 HD22 LEU 55 HD22 LEU 55 -5.820 2.242 -0.588 382 HD23 LEU 55 HD23 LEU 55 -5.026 1.918 0.983 383 H ARG 56 H ARG 56 -9.154 -1.902 1.841 384 HA ARG 56 HA ARG 56 -9.656 -0.337 4.302 385 HB2 ARG 56 HB2 ARG 56 -10.329 -3.313 3.724 386 HB3 ARG 56 HB3 ARG 56 -10.212 -2.757 5.365 387 HG2 ARG 56 HG2 ARG 56 -12.088 -1.257 4.965 388 HG3 ARG 56 HG3 ARG 56 -12.188 -1.861 3.297 389 HD2 ARG 56 HD2 ARG 56 -12.397 -4.082 4.086 390 HD3 ARG 56 HD3 ARG 56 -12.200 -3.514 5.741 391 HE ARG 56 HE ARG 56 -14.440 -2.161 4.658 392 HH11 ARG 56 HH11 ARG 56 -14.046 -5.657 5.632 393 HH12 ARG 56 HH12 ARG 56 -15.747 -5.857 5.888 394 HH21 ARG 56 HH21 ARG 56 -16.623 -2.572 5.030 395 HH22 ARG 56 HH22 ARG 56 -17.179 -4.128 5.547 396 H VAL 57 H VAL 57 -8.378 -0.935 6.293 397 HA VAL 57 HA VAL 57 -5.515 -1.053 6.108 398 HB VAL 57 HB VAL 57 -5.410 -1.619 8.693 399 HG11 VAL 57 HG11 VAL 57 -6.811 0.858 7.828 400 HG12 VAL 57 HG12 VAL 57 -5.081 0.551 7.910 401 HG13 VAL 57 HG13 VAL 57 -6.034 0.614 9.405 402 HG21 VAL 57 HG21 VAL 57 -8.314 -0.954 8.540 403 HG22 VAL 57 HG22 VAL 57 -7.382 -1.286 10.057 404 HG23 VAL 57 HG23 VAL 57 -7.675 -2.601 8.834 405 H ASN 58 H ASN 58 -7.587 -3.674 6.261 406 HA ASN 58 HA ASN 58 -5.649 -5.693 6.791 407 HB2 ASN 58 HB2 ASN 58 -7.596 -7.227 7.393 408 HB3 ASN 58 HB3 ASN 58 -7.724 -5.604 8.080 409 HD21 ASN 58 HD21 ASN 58 -9.535 -4.398 7.749 410 HD22 ASN 58 HD22 ASN 58 -10.909 -4.904 6.830 411 H ASP 59 H ASP 59 -6.128 -4.071 3.880 412 HA ASP 59 HA ASP 59 -6.329 -6.372 2.106 413 HB2 ASP 59 HB2 ASP 59 -6.526 -3.412 1.588 414 HB3 ASP 59 HB3 ASP 59 -6.067 -4.452 0.246 415 H SER 60 H SER 60 -3.682 -4.141 3.130 416 HA SER 60 HA SER 60 -1.467 -3.844 2.685 417 HB2 SER 60 HB2 SER 60 -1.505 -6.840 3.229 418 HB3 SER 60 HB3 SER 60 -0.009 -5.910 3.213 419 HG SER 60 HG SER 60 -0.477 -5.524 5.245 420 H ILE 61 H ILE 61 -0.069 -3.213 1.173 421 HA ILE 61 HA ILE 61 -0.339 -4.226 -1.571 422 HB ILE 61 HB ILE 61 1.445 -1.737 -0.772 423 HG12 ILE 61 HG12 ILE 61 -1.319 -1.324 -2.083 424 HG13 ILE 61 HG13 ILE 61 -1.250 -1.575 -0.355 425 HG21 ILE 61 HG21 ILE 61 2.045 -2.580 -3.051 426 HG22 ILE 61 HG22 ILE 61 1.298 -0.991 -3.194 427 HG23 ILE 61 HG23 ILE 61 0.363 -2.436 -3.570 428 HD11 ILE 61 HD11 ILE 61 0.063 0.556 -0.123 429 HD12 ILE 61 HD12 ILE 61 -1.492 0.833 -0.912 430 HD13 ILE 61 HD13 ILE 61 -0.018 0.769 -1.876 431 H LEU 62 H LEU 62 0.985 -5.603 -2.777 432 HA LEU 62 HA LEU 62 3.781 -6.153 -1.930 433 HB2 LEU 62 HB2 LEU 62 3.788 -8.057 -3.478 434 HB3 LEU 62 HB3 LEU 62 2.557 -8.285 -2.229 435 HG LEU 62 HG LEU 62 1.798 -7.510 -5.087 436 HD11 LEU 62 HD11 LEU 62 1.369 -9.852 -5.467 437 HD12 LEU 62 HD12 LEU 62 2.144 -10.228 -3.915 438 HD13 LEU 62 HD13 LEU 62 3.087 -9.487 -5.232 439 HD21 LEU 62 HD21 LEU 62 0.278 -8.999 -2.937 440 HD22 LEU 62 HD22 LEU 62 -0.326 -8.580 -4.541 441 HD23 LEU 62 HD23 LEU 62 0.027 -7.308 -3.372 442 H PHE 63 H PHE 63 1.965 -4.893 -4.723 443 HA PHE 63 HA PHE 63 4.493 -3.822 -5.847 444 HB2 PHE 63 HB2 PHE 63 2.496 -5.479 -7.499 445 HB3 PHE 63 HB3 PHE 63 3.601 -4.369 -8.289 446 HD1 PHE 63 HD1 PHE 63 3.458 -7.466 -6.197 447 HD2 PHE 63 HD2 PHE 63 5.872 -5.040 -8.692 448 HE1 PHE 63 HE1 PHE 63 5.044 -9.261 -6.290 449 HE2 PHE 63 HE2 PHE 63 7.557 -6.733 -8.784 450 HZ PHE 63 HZ PHE 63 7.195 -8.956 -7.610 451 H VAL 64 H VAL 64 4.445 -1.730 -6.528 452 HA VAL 64 HA VAL 64 1.806 -0.402 -6.971 453 HB VAL 64 HB VAL 64 3.476 0.070 -4.931 454 HG11 VAL 64 HG11 VAL 64 5.128 1.092 -5.146 455 HG12 VAL 64 HG12 VAL 64 4.104 2.307 -4.372 456 HG13 VAL 64 HG13 VAL 64 4.408 2.382 -6.114 457 HG21 VAL 64 HG21 VAL 64 1.979 1.863 -3.978 458 HG22 VAL 64 HG22 VAL 64 1.354 0.269 -4.451 459 HG23 VAL 64 HG23 VAL 64 1.076 1.662 -5.503 460 H ASN 65 H ASN 65 1.587 1.123 -8.696 461 HA ASN 65 HA ASN 65 1.904 2.020 -10.726 462 HB2 ASN 65 HB2 ASN 65 4.905 2.048 -9.966 463 HB3 ASN 65 HB3 ASN 65 4.714 2.304 -11.631 464 HD21 ASN 65 HD21 ASN 65 5.933 4.033 -9.891 465 HD22 ASN 65 HD22 ASN 65 5.046 5.509 -9.738 466 H GLU 66 H GLU 66 2.411 -1.198 -10.269 467 HA GLU 66 HA GLU 66 3.012 -3.176 -10.992 468 HB2 GLU 66 HB2 GLU 66 2.987 -2.027 -13.882 469 HB3 GLU 66 HB3 GLU 66 3.618 -3.639 -13.637 470 HG2 GLU 66 HG2 GLU 66 1.410 -4.006 -14.369 471 HG3 GLU 66 HG3 GLU 66 1.293 -4.201 -12.636 472 H VAL 67 H VAL 67 4.866 -1.332 -9.838 473 HA VAL 67 HA VAL 67 7.535 -2.255 -10.593 474 HB VAL 67 HB VAL 67 6.555 0.341 -10.434 475 HG11 VAL 67 HG11 VAL 67 6.347 1.300 -8.658 476 HG12 VAL 67 HG12 VAL 67 8.132 1.589 -8.594 477 HG13 VAL 67 HG13 VAL 67 7.395 0.206 -7.739 478 HG21 VAL 67 HG21 VAL 67 8.730 1.295 -10.688 479 HG22 VAL 67 HG22 VAL 67 8.279 -0.009 -11.775 480 HG23 VAL 67 HG23 VAL 67 9.446 -0.328 -10.431 481 H ASP 68 H ASP 68 9.081 -2.757 -8.958 482 HA ASP 68 HA ASP 68 7.959 -4.343 -6.861 483 HB2 ASP 68 HB2 ASP 68 10.248 -5.593 -6.730 484 HB3 ASP 68 HB3 ASP 68 9.393 -5.758 -8.239 485 H VAL 69 H VAL 69 7.418 -3.411 -5.189 486 HA VAL 69 HA VAL 69 9.327 -1.885 -3.584 487 HB VAL 69 HB VAL 69 7.569 -1.102 -1.993 488 HG11 VAL 69 HG11 VAL 69 8.117 0.362 -3.532 489 HG12 VAL 69 HG12 VAL 69 6.376 0.428 -3.252 490 HG13 VAL 69 HG13 VAL 69 7.027 -0.326 -4.764 491 HG21 VAL 69 HG21 VAL 69 5.046 -1.200 -2.745 492 HG22 VAL 69 HG22 VAL 69 5.819 -2.417 -1.764 493 HG23 VAL 69 HG23 VAL 69 5.546 -2.753 -3.512 494 H ARG 70 H ARG 70 8.557 -4.952 -3.725 495 HA ARG 70 HA ARG 70 8.491 -6.294 -1.224 496 HB2 ARG 70 HB2 ARG 70 9.752 -7.192 -3.824 497 HB3 ARG 70 HB3 ARG 70 9.900 -8.207 -2.410 498 HG2 ARG 70 HG2 ARG 70 7.405 -8.377 -2.303 499 HG3 ARG 70 HG3 ARG 70 7.293 -7.366 -3.737 500 HD2 ARG 70 HD2 ARG 70 7.007 -9.605 -4.503 501 HD3 ARG 70 HD3 ARG 70 8.643 -9.160 -4.955 502 HE ARG 70 HE ARG 70 8.593 -10.577 -2.435 503 HH11 ARG 70 HH11 ARG 70 8.621 -11.494 -5.960 504 HH12 ARG 70 HH12 ARG 70 9.218 -13.084 -5.623 505 HH21 ARG 70 HH21 ARG 70 9.367 -12.666 -2.145 506 HH22 ARG 70 HH22 ARG 70 9.631 -13.730 -3.486 507 H GLU 71 H GLU 71 11.385 -4.629 -2.360 508 HA GLU 71 HA GLU 71 12.847 -4.757 0.087 509 HB2 GLU 71 HB2 GLU 71 13.652 -6.884 -1.302 510 HB3 GLU 71 HB3 GLU 71 14.493 -5.763 -2.361 511 HG2 GLU 71 HG2 GLU 71 16.238 -6.584 -0.977 512 HG3 GLU 71 HG3 GLU 71 15.791 -5.118 -0.127 513 H VAL 72 H VAL 72 12.034 -2.589 -0.118 514 HA VAL 72 HA VAL 72 13.971 -0.637 -1.211 515 HB VAL 72 HB VAL 72 12.412 1.065 -1.955 516 HG11 VAL 72 HG11 VAL 72 11.256 0.155 -4.070 517 HG12 VAL 72 HG12 VAL 72 11.483 -1.458 -3.422 518 HG13 VAL 72 HG13 VAL 72 12.895 -0.470 -3.830 519 HG21 VAL 72 HG21 VAL 72 9.836 -0.338 -1.413 520 HG22 VAL 72 HG22 VAL 72 9.960 1.156 -2.364 521 HG23 VAL 72 HG23 VAL 72 10.496 1.114 -0.669 522 H THR 73 H THR 73 13.797 1.455 -0.273 523 HA THR 73 HA THR 73 13.323 1.700 2.649 524 HB THR 73 HB THR 73 13.978 4.261 2.231 525 HG1 THR 73 HG1 THR 73 15.173 4.764 0.455 526 HG21 THR 73 HG21 THR 73 16.389 3.847 2.341 527 HG22 THR 73 HG22 THR 73 16.107 2.139 1.950 528 HG23 THR 73 HG23 THR 73 15.460 2.837 3.452 529 H HIS 74 H HIS 74 12.026 3.554 3.655 530 HA HIS 74 HA HIS 74 9.266 3.749 3.189 531 HB2 HIS 74 HB2 HIS 74 10.584 4.351 5.335 532 HB3 HIS 74 HB3 HIS 74 11.058 5.851 4.601 533 HD1 HIS 74 HD1 HIS 74 9.617 7.864 5.244 534 HD2 HIS 74 HD2 HIS 74 7.705 4.272 6.167 535 HE1 HIS 74 HE1 HIS 74 7.668 8.492 6.728 536 HE2 HIS 74 HE2 HIS 74 6.540 6.304 7.278 537 H SER 75 H SER 75 11.687 6.337 2.245 538 HA SER 75 HA SER 75 10.074 8.120 0.717 539 HB2 SER 75 HB2 SER 75 13.114 7.815 0.788 540 HB3 SER 75 HB3 SER 75 12.291 9.107 -0.082 541 HG SER 75 HG SER 75 11.486 9.865 1.886 542 H ALA 76 H ALA 76 11.723 4.973 -0.426 543 HA ALA 76 HA ALA 76 11.661 5.536 -3.221 544 HB1 ALA 76 HB1 ALA 76 12.640 3.266 -3.315 545 HB2 ALA 76 HB2 ALA 76 12.194 3.053 -1.615 546 HB3 ALA 76 HB3 ALA 76 13.431 4.227 -2.034 547 H ALA 77 H ALA 77 9.357 4.180 -0.796 548 HA ALA 77 HA ALA 77 7.474 2.996 -2.724 549 HB1 ALA 77 HB1 ALA 77 7.848 1.875 -0.505 550 HB2 ALA 77 HB2 ALA 77 6.152 2.339 -0.737 551 HB3 ALA 77 HB3 ALA 77 7.208 3.326 0.279 552 H VAL 78 H VAL 78 7.679 5.972 -0.681 553 HA VAL 78 HA VAL 78 5.067 7.129 -1.367 554 HB VAL 78 HB VAL 78 7.491 8.540 0.056 555 HG11 VAL 78 HG11 VAL 78 4.618 9.518 0.186 556 HG12 VAL 78 HG12 VAL 78 5.872 10.307 -0.791 557 HG13 VAL 78 HG13 VAL 78 6.010 10.269 0.983 558 HG21 VAL 78 HG21 VAL 78 6.259 8.259 2.144 559 HG22 VAL 78 HG22 VAL 78 6.536 6.700 1.319 560 HG23 VAL 78 HG23 VAL 78 4.955 7.512 1.208 561 H GLU 79 H GLU 79 8.329 7.750 -2.756 562 HA GLU 79 HA GLU 79 7.768 9.826 -4.687 563 HB2 GLU 79 HB2 GLU 79 10.005 7.843 -4.542 564 HB3 GLU 79 HB3 GLU 79 9.973 9.007 -5.856 565 HG2 GLU 79 HG2 GLU 79 9.934 10.844 -4.067 566 HG3 GLU 79 HG3 GLU 79 10.187 9.520 -2.926 567 H ALA 80 H ALA 80 7.176 6.423 -4.947 568 HA ALA 80 HA ALA 80 6.504 6.294 -7.761 569 HB1 ALA 80 HB1 ALA 80 5.756 4.315 -5.548 570 HB2 ALA 80 HB2 ALA 80 7.246 4.264 -6.463 571 HB3 ALA 80 HB3 ALA 80 5.707 3.986 -7.266 572 H LEU 81 H LEU 81 4.635 7.253 -4.751 573 HA LEU 81 HA LEU 81 2.070 7.387 -6.114 574 HB2 LEU 81 HB2 LEU 81 2.703 7.699 -3.138 575 HB3 LEU 81 HB3 LEU 81 1.088 7.819 -3.796 576 HG LEU 81 HG LEU 81 2.507 5.340 -4.439 577 HD11 LEU 81 HD11 LEU 81 2.232 4.286 -2.276 578 HD12 LEU 81 HD12 LEU 81 1.875 5.892 -1.598 579 HD13 LEU 81 HD13 LEU 81 3.430 5.577 -2.400 580 HD21 LEU 81 HD21 LEU 81 -0.244 5.780 -3.255 581 HD22 LEU 81 HD22 LEU 81 0.395 4.237 -3.895 582 HD23 LEU 81 HD23 LEU 81 0.175 5.628 -4.968 583 H LYS 82 H LYS 82 4.410 9.686 -4.850 584 HA LYS 82 HA LYS 82 2.818 12.079 -5.366 585 HB2 LYS 82 HB2 LYS 82 5.554 11.658 -4.141 586 HB3 LYS 82 HB3 LYS 82 5.165 13.261 -4.697 587 HG2 LYS 82 HG2 LYS 82 3.224 13.280 -3.089 588 HG3 LYS 82 HG3 LYS 82 3.711 11.681 -2.531 589 HD2 LYS 82 HD2 LYS 82 5.848 12.573 -1.763 590 HD3 LYS 82 HD3 LYS 82 5.440 14.169 -2.397 591 HE2 LYS 82 HE2 LYS 82 3.558 14.294 -0.807 592 HE3 LYS 82 HE3 LYS 82 3.986 12.701 -0.185 593 HZ1 LYS 82 HZ1 LYS 82 4.840 14.461 1.227 594 HZ2 LYS 82 HZ2 LYS 82 5.699 15.127 -0.068 595 HZ3 LYS 82 HZ3 LYS 82 6.118 13.600 0.526 596 H GLU 83 H GLU 83 5.622 10.490 -6.981 597 HA GLU 83 HA GLU 83 5.858 12.600 -9.038 598 HB2 GLU 83 HB2 GLU 83 7.579 10.416 -8.303 599 HB3 GLU 83 HB3 GLU 83 7.951 11.205 -9.838 600 HG2 GLU 83 HG2 GLU 83 7.784 13.309 -8.633 601 HG3 GLU 83 HG3 GLU 83 7.806 12.417 -7.127 602 H ALA 84 H ALA 84 4.189 9.670 -9.195 603 HA ALA 84 HA ALA 84 4.537 8.804 -11.942 604 HB1 ALA 84 HB1 ALA 84 3.310 7.425 -10.224 605 HB2 ALA 84 HB2 ALA 84 2.524 7.452 -11.799 606 HB3 ALA 84 HB3 ALA 84 1.885 8.429 -10.493 607 H GLY 85 H GLY 85 2.590 11.499 -10.868 608 HA2 GLY 85 HA2 GLY 85 2.807 13.502 -12.461 609 HA3 GLY 85 HA3 GLY 85 2.220 12.325 -13.631 610 H SER 86 H SER 86 0.042 11.210 -12.257 611 HA SER 86 HA SER 86 -1.991 12.889 -11.317 612 HB2 SER 86 HB2 SER 86 -3.512 13.262 -13.316 613 HB3 SER 86 HB3 SER 86 -1.816 13.879 -13.429 614 HG SER 86 HG SER 86 -1.661 11.610 -14.604 615 H ILE 87 H ILE 87 -1.099 9.881 -12.908 616 HA ILE 87 HA ILE 87 -3.393 8.408 -11.779 617 HB ILE 87 HB ILE 87 -2.234 7.876 -14.602 618 HG12 ILE 87 HG12 ILE 87 -3.713 9.822 -14.756 619 HG13 ILE 87 HG13 ILE 87 -4.410 8.566 -15.765 620 HG21 ILE 87 HG21 ILE 87 -3.995 6.134 -15.178 621 HG22 ILE 87 HG22 ILE 87 -4.433 6.163 -13.458 622 HG23 ILE 87 HG23 ILE 87 -2.812 5.655 -13.933 623 HD11 ILE 87 HD11 ILE 87 -5.487 9.672 -13.082 624 HD12 ILE 87 HD12 ILE 87 -6.235 8.351 -13.938 625 HD13 ILE 87 HD13 ILE 87 -6.185 9.950 -14.675 626 H VAL 88 H VAL 88 -2.936 7.078 -10.370 627 HA VAL 88 HA VAL 88 -0.402 5.600 -10.156 628 HB VAL 88 HB VAL 88 -1.034 5.620 -7.830 629 HG11 VAL 88 HG11 VAL 88 0.386 8.121 -8.993 630 HG12 VAL 88 HG12 VAL 88 1.222 6.696 -8.429 631 HG13 VAL 88 HG13 VAL 88 0.569 7.855 -7.270 632 HG21 VAL 88 HG21 VAL 88 -1.313 7.454 -6.243 633 HG22 VAL 88 HG22 VAL 88 -2.319 6.064 -6.652 634 HG23 VAL 88 HG23 VAL 88 -2.658 7.640 -7.377 635 H ARG 89 H ARG 89 -0.476 3.543 -10.151 636 HA ARG 89 HA ARG 89 -2.931 2.042 -9.531 637 HB2 ARG 89 HB2 ARG 89 -2.488 0.334 -11.548 638 HB3 ARG 89 HB3 ARG 89 -3.032 1.909 -12.001 639 HG2 ARG 89 HG2 ARG 89 -0.668 2.451 -12.622 640 HG3 ARG 89 HG3 ARG 89 -0.281 0.748 -12.311 641 HD2 ARG 89 HD2 ARG 89 -1.990 0.055 -13.800 642 HD3 ARG 89 HD3 ARG 89 -2.466 1.730 -14.059 643 HE ARG 89 HE ARG 89 0.255 1.535 -14.783 644 HH11 ARG 89 HH11 ARG 89 -2.706 0.177 -16.424 645 HH12 ARG 89 HH12 ARG 89 -1.932 0.157 -17.973 646 HH21 ARG 89 HH21 ARG 89 1.127 1.452 -16.850 647 HH22 ARG 89 HH22 ARG 89 0.213 0.870 -18.201 648 H LEU 90 H LEU 90 -2.931 0.991 -7.755 649 HA LEU 90 HA LEU 90 -0.608 -0.440 -6.720 650 HB2 LEU 90 HB2 LEU 90 -1.869 -0.393 -4.448 651 HB3 LEU 90 HB3 LEU 90 -1.425 1.204 -5.041 652 HG LEU 90 HG LEU 90 -3.435 1.470 -3.896 653 HD11 LEU 90 HD11 LEU 90 -4.512 1.307 -6.513 654 HD12 LEU 90 HD12 LEU 90 -3.897 2.683 -5.539 655 HD13 LEU 90 HD13 LEU 90 -5.340 1.799 -5.029 656 HD21 LEU 90 HD21 LEU 90 -3.589 -0.830 -3.457 657 HD22 LEU 90 HD22 LEU 90 -4.618 -1.050 -4.892 658 HD23 LEU 90 HD23 LEU 90 -5.159 -0.019 -3.534 659 H TYR 91 H TYR 91 -0.502 -2.492 -5.979 660 HA TYR 91 HA TYR 91 -2.610 -4.474 -6.591 661 HB2 TYR 91 HB2 TYR 91 -0.417 -4.467 -8.204 662 HB3 TYR 91 HB3 TYR 91 0.355 -5.124 -6.846 663 HD1 TYR 91 HD1 TYR 91 -2.944 -6.211 -8.438 664 HD2 TYR 91 HD2 TYR 91 0.989 -7.271 -7.228 665 HE1 TYR 91 HE1 TYR 91 -3.445 -8.407 -9.026 666 HE2 TYR 91 HE2 TYR 91 0.595 -9.548 -7.820 667 HH TYR 91 HH TYR 91 -1.384 -11.103 -8.189 668 H VAL 92 H VAL 92 -3.451 -5.282 -4.957 669 HA VAL 92 HA VAL 92 -2.044 -5.696 -2.376 670 HB VAL 92 HB VAL 92 -4.204 -5.439 -1.101 671 HG11 VAL 92 HG11 VAL 92 -4.719 -3.083 -1.372 672 HG12 VAL 92 HG12 VAL 92 -3.852 -3.058 -2.885 673 HG13 VAL 92 HG13 VAL 92 -2.984 -3.406 -1.387 674 HG21 VAL 92 HG21 VAL 92 -5.777 -6.315 -2.579 675 HG22 VAL 92 HG22 VAL 92 -5.554 -5.093 -3.796 676 HG23 VAL 92 HG23 VAL 92 -6.394 -4.668 -2.247 677 H MET 93 H MET 93 -2.869 -7.320 -0.796 678 HA MET 93 HA MET 93 -3.428 -10.040 -1.853 679 HB2 MET 93 HB2 MET 93 -1.517 -11.211 -0.531 680 HB3 MET 93 HB3 MET 93 -0.960 -10.132 -1.785 681 HG2 MET 93 HG2 MET 93 -0.262 -8.476 -0.083 682 HG3 MET 93 HG3 MET 93 -0.874 -9.521 1.198 683 HE1 MET 93 HE1 MET 93 1.493 -9.372 2.427 684 HE2 MET 93 HE2 MET 93 2.090 -8.324 1.140 685 HE3 MET 93 HE3 MET 93 3.026 -9.734 1.632 686 H ARG 94 H ARG 94 -5.031 -11.173 -1.007 687 HA ARG 94 HA ARG 94 -5.646 -11.139 1.824 688 HB2 ARG 94 HB2 ARG 94 -8.242 -10.952 1.435 689 HB3 ARG 94 HB3 ARG 94 -7.351 -9.474 1.206 690 HG2 ARG 94 HG2 ARG 94 -7.608 -9.752 -1.299 691 HG3 ARG 94 HG3 ARG 94 -8.503 -11.236 -1.022 692 HD2 ARG 94 HD2 ARG 94 -9.407 -8.545 0.050 693 HD3 ARG 94 HD3 ARG 94 -9.865 -9.124 -1.543 694 HE ARG 94 HE ARG 94 -10.582 -11.052 0.461 695 HH11 ARG 94 HH11 ARG 94 -12.038 -7.941 -0.746 696 HH12 ARG 94 HH12 ARG 94 -13.622 -8.375 -0.195 697 HH21 ARG 94 HH21 ARG 94 -12.687 -11.487 1.124 698 HH22 ARG 94 HH22 ARG 94 -13.973 -10.360 0.849 699 H ARG 95 H ARG 95 -6.189 -12.947 2.841 700 HA ARG 95 HA ARG 95 -6.033 -15.500 1.431 701 HB2 ARG 95 HB2 ARG 95 -5.721 -14.838 4.376 702 HB3 ARG 95 HB3 ARG 95 -6.074 -16.497 3.931 703 HG2 ARG 95 HG2 ARG 95 -4.051 -16.505 2.507 704 HG3 ARG 95 HG3 ARG 95 -3.661 -14.878 3.075 705 HD2 ARG 95 HD2 ARG 95 -3.562 -15.743 5.390 706 HD3 ARG 95 HD3 ARG 95 -3.930 -17.358 4.774 707 HE ARG 95 HE ARG 95 -1.631 -16.369 3.445 708 HH11 ARG 95 HH11 ARG 95 -2.187 -17.730 6.782 709 HH12 ARG 95 HH12 ARG 95 -0.531 -18.213 6.943 710 HH21 ARG 95 HH21 ARG 95 0.480 -17.052 3.794 711 HH22 ARG 95 HH22 ARG 95 0.952 -17.831 5.268 712 H LYS 96 H LYS 96 -7.298 -17.258 1.392 713 HA LYS 96 HA LYS 96 -10.160 -16.843 1.101 714 HB2 LYS 96 HB2 LYS 96 -8.463 -19.315 0.495 715 HB3 LYS 96 HB3 LYS 96 -10.200 -19.348 0.317 716 HG2 LYS 96 HG2 LYS 96 -10.060 -17.648 -1.465 717 HG3 LYS 96 HG3 LYS 96 -8.314 -17.536 -1.230 718 HD2 LYS 96 HD2 LYS 96 -8.051 -19.885 -1.921 719 HD3 LYS 96 HD3 LYS 96 -9.794 -20.047 -2.116 720 HE2 LYS 96 HE2 LYS 96 -8.107 -18.096 -3.732 721 HE3 LYS 96 HE3 LYS 96 -8.392 -19.748 -4.249 722 HZ1 LYS 96 HZ1 LYS 96 -9.908 -18.196 -5.347 723 HZ2 LYS 96 HZ2 LYS 96 -10.496 -17.657 -3.858 724 HZ3 LYS 96 HZ3 LYS 96 -10.789 -19.247 -4.352 725 HA PRO 97 HA PRO 97 -11.718 -18.511 5.251 726 HB2 PRO 97 HB2 PRO 97 -14.514 -18.120 4.314 727 HB3 PRO 97 HB3 PRO 97 -13.677 -17.336 5.652 728 HG2 PRO 97 HG2 PRO 97 -14.320 -15.975 3.425 729 HG3 PRO 97 HG3 PRO 97 -12.807 -15.653 4.289 730 HD2 PRO 97 HD2 PRO 97 -13.255 -17.323 1.821 731 HD3 PRO 97 HD3 PRO 97 -12.027 -16.068 2.107 732 HA PRO 98 HA PRO 98 -12.903 -23.090 4.567 733 HB2 PRO 98 HB2 PRO 98 -13.760 -23.334 7.419 734 HB3 PRO 98 HB3 PRO 98 -12.475 -24.187 6.563 735 HG2 PRO 98 HG2 PRO 98 -11.890 -22.327 8.395 736 HG3 PRO 98 HG3 PRO 98 -10.928 -22.470 6.913 737 HD2 PRO 98 HD2 PRO 98 -13.137 -20.517 7.546 738 HD3 PRO 98 HD3 PRO 98 -11.522 -20.192 6.874 739 H ALA 99 H ALA 99 -15.487 -21.073 6.162 740 HA ALA 99 HA ALA 99 -17.673 -22.762 5.133 741 HB1 ALA 99 HB1 ALA 99 -17.671 -22.550 7.646 742 HB2 ALA 99 HB2 ALA 99 -19.156 -21.916 6.938 743 HB3 ALA 99 HB3 ALA 99 -17.898 -20.807 7.480 744 H1 VAL 1 H1 VAL 1 2.492 -0.754 18.411 745 H2 VAL 1 H2 VAL 1 3.412 -2.095 18.873 746 H3 VAL 1 H3 VAL 1 2.562 -2.122 17.413 747 HA VAL 1 HA VAL 1 4.947 -1.818 17.321 748 HB VAL 1 HB VAL 1 5.014 0.185 15.571 749 HG11 VAL 1 HG11 VAL 1 4.011 -1.233 13.797 750 HG12 VAL 1 HG12 VAL 1 3.529 -2.369 15.067 751 HG13 VAL 1 HG13 VAL 1 5.233 -1.979 14.806 752 HG21 VAL 1 HG21 VAL 1 2.851 1.333 16.095 753 HG22 VAL 1 HG22 VAL 1 1.960 -0.138 15.709 754 HG23 VAL 1 HG23 VAL 1 2.828 0.722 14.437 755 H VAL 2 H VAL 2 6.822 -1.057 17.526 756 HA VAL 2 HA VAL 2 7.267 1.008 19.583 757 HB VAL 2 HB VAL 2 9.419 -0.312 20.358 758 HG11 VAL 2 HG11 VAL 2 7.521 -0.221 21.794 759 HG12 VAL 2 HG12 VAL 2 8.230 -1.835 21.870 760 HG13 VAL 2 HG13 VAL 2 6.757 -1.565 20.942 761 HG21 VAL 2 HG21 VAL 2 8.119 -2.696 18.899 762 HG22 VAL 2 HG22 VAL 2 9.432 -2.852 20.062 763 HG23 VAL 2 HG23 VAL 2 9.703 -2.010 18.537 764 H SER 3 H SER 3 7.986 0.658 16.243 765 HA SER 3 HA SER 3 10.538 2.202 16.219 766 HB2 SER 3 HB2 SER 3 9.755 -0.157 14.467 767 HB3 SER 3 HB3 SER 3 11.114 0.905 14.115 768 HG SER 3 HG SER 3 12.227 -0.279 15.448 769 H GLU 4 H GLU 4 7.282 2.506 15.452 770 HA GLU 4 HA GLU 4 7.387 3.822 12.826 771 HB2 GLU 4 HB2 GLU 4 5.742 1.962 13.531 772 HB3 GLU 4 HB3 GLU 4 4.844 3.198 14.436 773 HG2 GLU 4 HG2 GLU 4 4.879 4.221 11.850 774 HG3 GLU 4 HG3 GLU 4 5.235 2.472 11.729 775 H ARG 5 H ARG 5 6.743 5.890 12.332 776 HA ARG 5 HA ARG 5 5.764 7.832 14.295 777 HB2 ARG 5 HB2 ARG 5 6.886 9.775 12.943 778 HB3 ARG 5 HB3 ARG 5 8.014 8.731 13.762 779 HG2 ARG 5 HG2 ARG 5 8.633 7.683 11.554 780 HG3 ARG 5 HG3 ARG 5 7.445 8.689 10.743 781 HD2 ARG 5 HD2 ARG 5 9.552 9.700 10.324 782 HD3 ARG 5 HD3 ARG 5 8.796 10.702 11.550 783 HE ARG 5 HE ARG 5 10.432 8.860 12.916 784 HH11 ARG 5 HH11 ARG 5 11.295 11.642 10.728 785 HH12 ARG 5 HH12 ARG 5 12.842 11.849 11.480 786 HH21 ARG 5 HH21 ARG 5 12.466 9.243 13.792 787 HH22 ARG 5 HH22 ARG 5 13.488 10.505 13.188 788 H ILE 6 H ILE 6 5.484 6.768 10.902 789 HA ILE 6 HA ILE 6 4.325 7.122 9.173 790 HB ILE 6 HB ILE 6 3.008 5.302 10.541 791 HG12 ILE 6 HG12 ILE 6 1.544 6.418 8.005 792 HG13 ILE 6 HG13 ILE 6 3.014 5.488 7.976 793 HG21 ILE 6 HG21 ILE 6 0.552 5.568 11.028 794 HG22 ILE 6 HG22 ILE 6 0.716 7.296 10.727 795 HG23 ILE 6 HG23 ILE 6 1.610 6.551 12.050 796 HD11 ILE 6 HD11 ILE 6 1.681 3.456 8.697 797 HD12 ILE 6 HD12 ILE 6 1.164 4.118 7.155 798 HD13 ILE 6 HD13 ILE 6 0.208 4.438 8.567 799 H SER 7 H SER 7 4.804 8.730 8.288 800 HA SER 7 HA SER 7 3.014 11.156 8.056 801 HB2 SER 7 HB2 SER 7 6.095 11.109 7.852 802 HB3 SER 7 HB3 SER 7 5.139 12.533 7.463 803 HG SER 7 HG SER 7 5.074 11.218 9.984 804 H SER 8 H SER 8 2.914 8.662 6.344 805 HA SER 8 HA SER 8 3.889 9.294 3.631 806 HB2 SER 8 HB2 SER 8 2.941 6.584 4.745 807 HB3 SER 8 HB3 SER 8 3.583 6.901 3.159 808 HG SER 8 HG SER 8 4.948 6.769 5.567 809 H VAL 9 H VAL 9 2.467 7.996 1.723 810 HA VAL 9 HA VAL 9 -0.368 8.971 1.642 811 HB VAL 9 HB VAL 9 1.290 8.474 -1.029 812 HG11 VAL 9 HG11 VAL 9 -0.126 10.149 -2.092 813 HG12 VAL 9 HG12 VAL 9 -0.967 10.409 -0.564 814 HG13 VAL 9 HG13 VAL 9 -1.054 8.838 -1.362 815 HG21 VAL 9 HG21 VAL 9 1.309 11.234 0.300 816 HG22 VAL 9 HG22 VAL 9 1.928 10.867 -1.309 817 HG23 VAL 9 HG23 VAL 9 2.711 10.177 0.112 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -11.579 -23.532 -8.135 2 H2 GLY 1 H2 GLY 1 -11.772 -22.028 -7.388 3 H3 GLY 1 H3 GLY 1 -12.543 -23.391 -6.749 4 HA2 GLY 1 HA2 GLY 1 -10.397 -24.391 -6.218 5 HA3 GLY 1 HA3 GLY 1 -9.602 -22.968 -6.873 6 H ALA 2 H ALA 2 -11.144 -24.433 -4.149 7 HA ALA 2 HA ALA 2 -11.114 -22.005 -2.462 8 HB1 ALA 2 HB1 ALA 2 -13.309 -23.243 -2.628 9 HB2 ALA 2 HB2 ALA 2 -12.749 -23.104 -0.963 10 HB3 ALA 2 HB3 ALA 2 -12.557 -24.627 -1.830 11 H MET 3 H MET 3 -8.873 -24.131 -3.037 12 HA MET 3 HA MET 3 -7.790 -24.453 -0.331 13 HB2 MET 3 HB2 MET 3 -6.274 -26.439 -1.084 14 HB3 MET 3 HB3 MET 3 -7.986 -26.756 -1.161 15 HG2 MET 3 HG2 MET 3 -7.897 -26.493 -3.648 16 HG3 MET 3 HG3 MET 3 -6.168 -26.169 -3.539 17 HE1 MET 3 HE1 MET 3 -5.714 -28.101 -5.330 18 HE2 MET 3 HE2 MET 3 -7.448 -28.409 -5.427 19 HE3 MET 3 HE3 MET 3 -6.329 -29.745 -5.163 20 H GLU 4 H GLU 4 -7.234 -22.464 -2.588 21 HA GLU 4 HA GLU 4 -4.600 -21.560 -1.703 22 HB2 GLU 4 HB2 GLU 4 -4.080 -20.494 -4.013 23 HB3 GLU 4 HB3 GLU 4 -4.003 -22.235 -3.869 24 HG2 GLU 4 HG2 GLU 4 -6.154 -22.405 -5.070 25 HG3 GLU 4 HG3 GLU 4 -6.256 -20.648 -5.156 26 H MET 5 H MET 5 -3.968 -19.290 -1.730 27 HA MET 5 HA MET 5 -5.994 -17.469 -0.757 28 HB2 MET 5 HB2 MET 5 -4.097 -15.846 -0.126 29 HB3 MET 5 HB3 MET 5 -3.906 -17.430 0.570 30 HG2 MET 5 HG2 MET 5 -2.214 -17.892 -1.212 31 HG3 MET 5 HG3 MET 5 -2.328 -16.230 -1.733 32 HE1 MET 5 HE1 MET 5 0.461 -17.569 -0.843 33 HE2 MET 5 HE2 MET 5 1.164 -16.271 0.121 34 HE3 MET 5 HE3 MET 5 0.321 -15.896 -1.382 35 H GLU 6 H GLU 6 -6.001 -14.998 -1.323 36 HA GLU 6 HA GLU 6 -6.410 -14.733 -4.224 37 HB2 GLU 6 HB2 GLU 6 -8.752 -13.597 -4.009 38 HB3 GLU 6 HB3 GLU 6 -8.714 -15.298 -3.641 39 HG2 GLU 6 HG2 GLU 6 -8.903 -14.749 -1.188 40 HG3 GLU 6 HG3 GLU 6 -8.910 -13.037 -1.581 41 H TYR 7 H TYR 7 -5.745 -13.135 -5.366 42 HA TYR 7 HA TYR 7 -4.814 -10.613 -4.097 43 HB2 TYR 7 HB2 TYR 7 -3.827 -11.837 -6.747 44 HB3 TYR 7 HB3 TYR 7 -3.235 -10.365 -6.061 45 HD1 TYR 7 HD1 TYR 7 -3.199 -14.088 -5.513 46 HD2 TYR 7 HD2 TYR 7 -1.466 -10.342 -4.524 47 HE1 TYR 7 HE1 TYR 7 -1.394 -15.278 -4.470 48 HE2 TYR 7 HE2 TYR 7 0.487 -11.515 -3.488 49 HH TYR 7 HH TYR 7 0.938 -13.750 -2.455 50 H GLU 8 H GLU 8 -5.164 -8.559 -4.921 51 HA GLU 8 HA GLU 8 -7.206 -8.140 -7.044 52 HB2 GLU 8 HB2 GLU 8 -7.542 -7.430 -4.210 53 HB3 GLU 8 HB3 GLU 8 -7.753 -6.019 -5.212 54 HG2 GLU 8 HG2 GLU 8 -9.980 -6.866 -4.904 55 HG3 GLU 8 HG3 GLU 8 -9.521 -7.489 -6.476 56 H GLU 9 H GLU 9 -6.970 -6.580 -8.544 57 HA GLU 9 HA GLU 9 -4.897 -4.570 -8.210 58 HB2 GLU 9 HB2 GLU 9 -4.625 -4.395 -10.761 59 HB3 GLU 9 HB3 GLU 9 -4.193 -5.946 -10.069 60 HG2 GLU 9 HG2 GLU 9 -6.271 -6.974 -11.032 61 HG3 GLU 9 HG3 GLU 9 -6.746 -5.416 -11.688 62 H ILE 10 H ILE 10 -5.418 -2.518 -7.700 63 HA ILE 10 HA ILE 10 -7.987 -1.352 -8.642 64 HB ILE 10 HB ILE 10 -6.503 -0.734 -5.948 65 HG12 ILE 10 HG12 ILE 10 -9.343 -1.819 -5.762 66 HG13 ILE 10 HG13 ILE 10 -8.096 -2.952 -6.246 67 HG21 ILE 10 HG21 ILE 10 -8.545 0.625 -5.155 68 HG22 ILE 10 HG22 ILE 10 -9.092 0.681 -6.854 69 HG23 ILE 10 HG23 ILE 10 -7.510 1.344 -6.372 70 HD11 ILE 10 HD11 ILE 10 -8.434 -1.518 -3.600 71 HD12 ILE 10 HD12 ILE 10 -6.876 -2.146 -4.117 72 HD13 ILE 10 HD13 ILE 10 -8.233 -3.282 -3.889 73 H THR 11 H THR 11 -8.054 0.751 -9.570 74 HA THR 11 HA THR 11 -5.552 2.313 -10.030 75 HB THR 11 HB THR 11 -7.794 2.421 -12.192 76 HG1 THR 11 HG1 THR 11 -7.399 0.314 -12.523 77 HG21 THR 11 HG21 THR 11 -5.890 2.907 -13.765 78 HG22 THR 11 HG22 THR 11 -4.764 2.688 -12.412 79 HG23 THR 11 HG23 THR 11 -5.881 4.038 -12.398 80 H LEU 12 H LEU 12 -5.445 4.258 -9.289 81 HA LEU 12 HA LEU 12 -7.794 5.884 -8.542 82 HB2 LEU 12 HB2 LEU 12 -5.453 5.094 -6.850 83 HB3 LEU 12 HB3 LEU 12 -5.648 6.812 -6.888 84 HG LEU 12 HG LEU 12 -6.512 6.002 -4.841 85 HD11 LEU 12 HD11 LEU 12 -8.853 6.652 -4.646 86 HD12 LEU 12 HD12 LEU 12 -8.923 6.793 -6.401 87 HD13 LEU 12 HD13 LEU 12 -7.818 7.812 -5.481 88 HD21 LEU 12 HD21 LEU 12 -8.295 4.019 -6.259 89 HD22 LEU 12 HD22 LEU 12 -8.354 4.363 -4.530 90 HD23 LEU 12 HD23 LEU 12 -6.899 3.661 -5.239 91 H GLU 13 H GLU 13 -7.890 8.011 -9.050 92 HA GLU 13 HA GLU 13 -5.740 9.386 -10.600 93 HB2 GLU 13 HB2 GLU 13 -8.712 10.246 -10.240 94 HB3 GLU 13 HB3 GLU 13 -7.546 11.137 -11.183 95 HG2 GLU 13 HG2 GLU 13 -7.496 9.337 -12.833 96 HG3 GLU 13 HG3 GLU 13 -8.541 8.364 -11.810 97 H ARG 14 H ARG 14 -4.571 10.976 -9.684 98 HA ARG 14 HA ARG 14 -4.181 11.433 -6.950 99 HB2 ARG 14 HB2 ARG 14 -2.496 11.760 -8.893 100 HB3 ARG 14 HB3 ARG 14 -3.180 13.341 -9.158 101 HG2 ARG 14 HG2 ARG 14 -2.337 14.015 -6.864 102 HG3 ARG 14 HG3 ARG 14 -1.574 12.430 -6.732 103 HD2 ARG 14 HD2 ARG 14 -0.193 12.909 -8.679 104 HD3 ARG 14 HD3 ARG 14 -1.007 14.458 -8.903 105 HE ARG 14 HE ARG 14 0.179 14.246 -6.296 106 HH11 ARG 14 HH11 ARG 14 1.315 15.207 -9.626 107 HH12 ARG 14 HH12 ARG 14 2.636 16.132 -8.995 108 HH21 ARG 14 HH21 ARG 14 1.933 15.483 -5.620 109 HH22 ARG 14 HH22 ARG 14 2.973 16.280 -6.754 110 H GLY 15 H GLY 15 -5.441 12.205 -5.441 111 HA2 GLY 15 HA2 GLY 15 -7.608 14.127 -5.754 112 HA3 GLY 15 HA3 GLY 15 -7.167 13.301 -4.285 113 H ASN 16 H ASN 16 -8.186 15.768 -4.105 114 HA ASN 16 HA ASN 16 -6.270 17.932 -3.983 115 HB2 ASN 16 HB2 ASN 16 -8.230 19.433 -3.200 116 HB3 ASN 16 HB3 ASN 16 -8.470 18.664 -4.746 117 HD21 ASN 16 HD21 ASN 16 -10.191 17.118 -4.938 118 HD22 ASN 16 HD22 ASN 16 -11.439 16.965 -3.754 119 H SER 17 H SER 17 -7.367 15.704 -1.524 120 HA SER 17 HA SER 17 -6.244 17.174 0.773 121 HB2 SER 17 HB2 SER 17 -8.043 14.701 0.699 122 HB3 SER 17 HB3 SER 17 -7.367 15.347 2.188 123 HG SER 17 HG SER 17 -9.557 16.135 0.848 124 H GLY 18 H GLY 18 -5.217 14.278 -1.336 125 HA2 GLY 18 HA2 GLY 18 -2.901 13.675 -1.279 126 HA3 GLY 18 HA3 GLY 18 -2.980 13.700 0.476 127 H LEU 19 H LEU 19 -5.432 12.459 -1.769 128 HA LEU 19 HA LEU 19 -6.493 10.658 -2.321 129 HB2 LEU 19 HB2 LEU 19 -3.941 8.932 -1.954 130 HB3 LEU 19 HB3 LEU 19 -5.430 8.491 -2.807 131 HG LEU 19 HG LEU 19 -4.033 10.874 -3.766 132 HD11 LEU 19 HD11 LEU 19 -3.114 7.995 -4.163 133 HD12 LEU 19 HD12 LEU 19 -2.216 9.242 -3.315 134 HD13 LEU 19 HD13 LEU 19 -2.464 9.378 -5.063 135 HD21 LEU 19 HD21 LEU 19 -6.024 10.141 -4.837 136 HD22 LEU 19 HD22 LEU 19 -5.415 8.485 -4.989 137 HD23 LEU 19 HD23 LEU 19 -4.692 9.797 -5.964 138 H GLY 20 H GLY 20 -5.583 10.416 0.982 139 HA2 GLY 20 HA2 GLY 20 -7.302 10.255 2.660 140 HA3 GLY 20 HA3 GLY 20 -8.253 9.282 1.572 141 H PHE 21 H PHE 21 -4.752 8.516 2.291 142 HA PHE 21 HA PHE 21 -5.166 6.723 4.453 143 HB2 PHE 21 HB2 PHE 21 -4.510 4.566 3.391 144 HB3 PHE 21 HB3 PHE 21 -5.846 5.188 2.510 145 HD1 PHE 21 HD1 PHE 21 -5.244 6.340 0.018 146 HD2 PHE 21 HD2 PHE 21 -2.642 3.723 2.236 147 HE1 PHE 21 HE1 PHE 21 -4.062 5.752 -2.071 148 HE2 PHE 21 HE2 PHE 21 -1.447 3.160 0.143 149 HZ PHE 21 HZ PHE 21 -2.161 4.178 -2.005 150 H SER 22 H SER 22 -2.857 5.766 5.322 151 HA SER 22 HA SER 22 -0.493 7.039 4.184 152 HB2 SER 22 HB2 SER 22 -1.179 7.075 7.154 153 HB3 SER 22 HB3 SER 22 0.450 7.321 6.491 154 HG SER 22 HG SER 22 -1.625 8.900 5.474 155 H ILE 23 H ILE 23 1.566 5.885 4.359 156 HA ILE 23 HA ILE 23 1.330 3.091 5.137 157 HB ILE 23 HB ILE 23 2.728 2.267 3.101 158 HG12 ILE 23 HG12 ILE 23 1.775 3.240 0.838 159 HG13 ILE 23 HG13 ILE 23 1.296 4.650 1.745 160 HG21 ILE 23 HG21 ILE 23 0.743 1.538 3.876 161 HG22 ILE 23 HG22 ILE 23 0.608 1.579 2.065 162 HG23 ILE 23 HG23 ILE 23 -0.101 2.868 3.123 163 HD11 ILE 23 HD11 ILE 23 3.219 5.197 0.394 164 HD12 ILE 23 HD12 ILE 23 4.131 3.813 0.945 165 HD13 ILE 23 HD13 ILE 23 3.796 5.153 2.059 166 H ALA 24 H ALA 24 2.600 1.622 5.863 167 HA ALA 24 HA ALA 24 5.158 2.621 6.994 168 HB1 ALA 24 HB1 ALA 24 3.492 1.982 8.782 169 HB2 ALA 24 HB2 ALA 24 4.852 0.839 8.800 170 HB3 ALA 24 HB3 ALA 24 3.359 0.372 8.086 171 H GLY 25 H GLY 25 7.001 1.899 6.226 172 HA2 GLY 25 HA2 GLY 25 7.666 -0.787 5.444 173 HA3 GLY 25 HA3 GLY 25 7.393 0.217 4.037 174 H GLY 26 H GLY 26 9.786 -1.092 4.505 175 HA2 GLY 26 HA2 GLY 26 11.862 0.789 4.352 176 HA3 GLY 26 HA3 GLY 26 11.743 0.418 6.047 177 H THR 27 H THR 27 13.793 0.094 3.799 178 HA THR 27 HA THR 27 14.725 -2.583 4.595 179 HB THR 27 HB THR 27 16.794 -2.091 2.964 180 HG1 THR 27 HG1 THR 27 15.123 -0.623 1.345 181 HG21 THR 27 HG21 THR 27 15.614 -3.124 1.009 182 HG22 THR 27 HG22 THR 27 14.084 -2.834 1.831 183 HG23 THR 27 HG23 THR 27 15.275 -3.915 2.548 184 H ASP 28 H ASP 28 15.587 0.824 5.041 185 HA ASP 28 HA ASP 28 17.766 0.125 6.854 186 HB2 ASP 28 HB2 ASP 28 17.351 2.791 5.379 187 HB3 ASP 28 HB3 ASP 28 18.456 2.685 6.732 188 H ASN 29 H ASN 29 14.602 1.838 6.788 189 HA ASN 29 HA ASN 29 14.649 2.659 9.606 190 HB2 ASN 29 HB2 ASN 29 14.067 4.389 7.668 191 HB3 ASN 29 HB3 ASN 29 12.578 3.544 7.456 192 HD21 ASN 29 HD21 ASN 29 10.891 3.860 8.999 193 HD22 ASN 29 HD22 ASN 29 10.927 5.142 10.158 194 HA PRO 30 HA PRO 30 11.851 -1.165 10.621 195 HB2 PRO 30 HB2 PRO 30 11.556 -0.212 13.381 196 HB3 PRO 30 HB3 PRO 30 12.287 -1.685 12.788 197 HG2 PRO 30 HG2 PRO 30 13.832 0.320 13.838 198 HG3 PRO 30 HG3 PRO 30 14.417 -0.822 12.623 199 HD2 PRO 30 HD2 PRO 30 13.601 2.054 12.268 200 HD3 PRO 30 HD3 PRO 30 14.853 1.109 11.458 201 H HIS 31 H HIS 31 9.657 -1.773 11.192 202 HA HIS 31 HA HIS 31 7.596 0.267 11.577 203 HB2 HIS 31 HB2 HIS 31 7.103 -0.611 9.375 204 HB3 HIS 31 HB3 HIS 31 7.650 -2.211 9.778 205 HD1 HIS 31 HD1 HIS 31 4.540 -0.191 11.036 206 HD2 HIS 31 HD2 HIS 31 5.565 -3.854 9.408 207 HE1 HIS 31 HE1 HIS 31 2.375 -1.489 10.916 208 HE2 HIS 31 HE2 HIS 31 2.999 -3.662 9.814 209 H ILE 32 H ILE 32 8.577 -3.054 12.694 210 HA ILE 32 HA ILE 32 6.689 -3.027 14.945 211 HB ILE 32 HB ILE 32 5.872 -5.531 14.547 212 HG12 ILE 32 HG12 ILE 32 5.465 -6.088 11.988 213 HG13 ILE 32 HG13 ILE 32 6.824 -5.039 11.676 214 HG21 ILE 32 HG21 ILE 32 4.352 -3.701 14.310 215 HG22 ILE 32 HG22 ILE 32 4.071 -4.918 12.992 216 HG23 ILE 32 HG23 ILE 32 5.050 -3.474 12.689 217 HD11 ILE 32 HD11 ILE 32 7.414 -7.269 11.518 218 HD12 ILE 32 HD12 ILE 32 6.832 -7.625 13.192 219 HD13 ILE 32 HD13 ILE 32 8.237 -6.545 12.929 220 H GLY 33 H GLY 33 9.206 -4.976 13.635 221 HA2 GLY 33 HA2 GLY 33 10.875 -5.039 16.026 222 HA3 GLY 33 HA3 GLY 33 10.269 -6.629 15.516 223 H ASP 34 H ASP 34 11.047 -4.000 13.305 224 HA ASP 34 HA ASP 34 12.412 -3.477 11.655 225 HB2 ASP 34 HB2 ASP 34 14.510 -3.779 13.243 226 HB3 ASP 34 HB3 ASP 34 14.682 -5.412 12.652 227 H ASP 35 H ASP 35 10.753 -4.092 10.567 228 HA ASP 35 HA ASP 35 10.662 -6.626 9.050 229 HB2 ASP 35 HB2 ASP 35 8.585 -5.700 10.279 230 HB3 ASP 35 HB3 ASP 35 8.385 -4.476 9.085 231 HA PRO 36 HA PRO 36 12.367 -4.864 4.953 232 HB2 PRO 36 HB2 PRO 36 11.916 -7.542 3.724 233 HB3 PRO 36 HB3 PRO 36 13.424 -6.657 3.934 234 HG2 PRO 36 HG2 PRO 36 12.909 -8.854 5.378 235 HG3 PRO 36 HG3 PRO 36 13.748 -7.468 6.100 236 HD2 PRO 36 HD2 PRO 36 10.837 -8.229 6.312 237 HD3 PRO 36 HD3 PRO 36 11.970 -7.800 7.613 238 H SER 37 H SER 37 9.138 -6.483 5.007 239 HA SER 37 HA SER 37 8.221 -5.479 2.404 240 HB2 SER 37 HB2 SER 37 6.159 -6.970 2.771 241 HB3 SER 37 HB3 SER 37 7.678 -7.850 2.766 242 HG SER 37 HG SER 37 6.825 -7.013 5.272 243 H ILE 38 H ILE 38 6.247 -4.232 1.959 244 HA ILE 38 HA ILE 38 5.650 -2.196 4.012 245 HB ILE 38 HB ILE 38 4.759 -1.752 1.089 246 HG12 ILE 38 HG12 ILE 38 7.021 -1.776 0.085 247 HG13 ILE 38 HG13 ILE 38 6.984 -0.203 0.691 248 HG21 ILE 38 HG21 ILE 38 5.463 0.403 3.034 249 HG22 ILE 38 HG22 ILE 38 3.883 -0.041 2.394 250 HG23 ILE 38 HG23 ILE 38 5.086 0.686 1.332 251 HD11 ILE 38 HD11 ILE 38 9.173 -1.274 1.022 252 HD12 ILE 38 HD12 ILE 38 8.453 -2.386 2.175 253 HD13 ILE 38 HD13 ILE 38 8.479 -0.655 2.529 254 H PHE 39 H PHE 39 3.665 -1.815 4.974 255 HA PHE 39 HA PHE 39 1.199 -3.313 4.265 256 HB2 PHE 39 HB2 PHE 39 2.298 -3.093 7.166 257 HB3 PHE 39 HB3 PHE 39 0.748 -3.759 6.762 258 HD1 PHE 39 HD1 PHE 39 1.005 -6.111 5.208 259 HD2 PHE 39 HD2 PHE 39 3.989 -4.487 7.789 260 HE1 PHE 39 HE1 PHE 39 2.011 -8.356 5.470 261 HE2 PHE 39 HE2 PHE 39 4.992 -6.698 8.050 262 HZ PHE 39 HZ PHE 39 4.011 -8.651 6.880 263 H ILE 40 H ILE 40 -0.978 -2.301 5.037 264 HA ILE 40 HA ILE 40 -0.960 0.538 5.624 265 HB ILE 40 HB ILE 40 -3.601 -0.960 5.660 266 HG12 ILE 40 HG12 ILE 40 -2.756 -2.068 3.557 267 HG13 ILE 40 HG13 ILE 40 -4.083 -1.025 3.155 268 HG21 ILE 40 HG21 ILE 40 -3.867 1.350 6.049 269 HG22 ILE 40 HG22 ILE 40 -4.671 0.916 4.548 270 HG23 ILE 40 HG23 ILE 40 -3.123 1.774 4.487 271 HD11 ILE 40 HD11 ILE 40 -2.508 0.586 2.269 272 HD12 ILE 40 HD12 ILE 40 -2.281 -1.007 1.429 273 HD13 ILE 40 HD13 ILE 40 -1.179 -0.439 2.761 274 H THR 41 H THR 41 -1.850 1.466 7.318 275 HA THR 41 HA THR 41 -2.629 0.281 9.810 276 HB THR 41 HB THR 41 -0.679 1.598 11.240 277 HG1 THR 41 HG1 THR 41 0.327 1.891 8.949 278 HG21 THR 41 HG21 THR 41 0.603 -0.473 11.520 279 HG22 THR 41 HG22 THR 41 -0.163 -1.149 10.098 280 HG23 THR 41 HG23 THR 41 -1.138 -0.818 11.549 281 H LYS 42 H LYS 42 -2.412 3.308 7.855 282 HA LYS 42 HA LYS 42 -4.296 4.512 9.752 283 HB2 LYS 42 HB2 LYS 42 -1.801 5.621 9.644 284 HB3 LYS 42 HB3 LYS 42 -2.384 6.316 8.160 285 HG2 LYS 42 HG2 LYS 42 -3.884 6.813 10.689 286 HG3 LYS 42 HG3 LYS 42 -2.373 7.688 10.425 287 HD2 LYS 42 HD2 LYS 42 -3.418 8.549 8.251 288 HD3 LYS 42 HD3 LYS 42 -4.919 7.776 8.739 289 HE2 LYS 42 HE2 LYS 42 -3.490 9.756 10.419 290 HE3 LYS 42 HE3 LYS 42 -4.632 10.282 9.162 291 HZ1 LYS 42 HZ1 LYS 42 -5.726 10.244 11.365 292 HZ2 LYS 42 HZ2 LYS 42 -5.288 8.628 11.591 293 HZ3 LYS 42 HZ3 LYS 42 -6.399 9.038 10.384 294 H ILE 43 H ILE 43 -6.261 4.975 8.953 295 HA ILE 43 HA ILE 43 -6.685 5.587 6.137 296 HB ILE 43 HB ILE 43 -8.531 3.808 7.908 297 HG12 ILE 43 HG12 ILE 43 -6.903 2.251 6.881 298 HG13 ILE 43 HG13 ILE 43 -8.404 1.916 6.166 299 HG21 ILE 43 HG21 ILE 43 -9.605 4.752 5.257 300 HG22 ILE 43 HG22 ILE 43 -10.237 5.080 6.872 301 HG23 ILE 43 HG23 ILE 43 -10.331 3.437 6.206 302 HD11 ILE 43 HD11 ILE 43 -6.127 3.446 4.813 303 HD12 ILE 43 HD12 ILE 43 -7.648 3.090 4.007 304 HD13 ILE 43 HD13 ILE 43 -6.560 1.773 4.499 305 H ILE 44 H ILE 44 -7.686 7.540 5.656 306 HA ILE 44 HA ILE 44 -8.785 9.262 7.697 307 HB ILE 44 HB ILE 44 -8.118 9.820 4.676 308 HG12 ILE 44 HG12 ILE 44 -6.567 11.679 5.555 309 HG13 ILE 44 HG13 ILE 44 -6.804 10.971 7.166 310 HG21 ILE 44 HG21 ILE 44 -9.294 12.018 6.385 311 HG22 ILE 44 HG22 ILE 44 -10.018 11.255 4.959 312 HG23 ILE 44 HG23 ILE 44 -8.549 12.226 4.786 313 HD11 ILE 44 HD11 ILE 44 -4.655 10.354 6.129 314 HD12 ILE 44 HD12 ILE 44 -5.609 9.672 4.760 315 HD13 ILE 44 HD13 ILE 44 -5.771 8.980 6.371 316 HA PRO 45 HA PRO 45 -13.289 7.920 7.196 317 HB2 PRO 45 HB2 PRO 45 -14.153 10.461 8.531 318 HB3 PRO 45 HB3 PRO 45 -14.420 8.791 9.035 319 HG2 PRO 45 HG2 PRO 45 -12.688 10.331 10.358 320 HG3 PRO 45 HG3 PRO 45 -12.312 8.626 10.049 321 HD2 PRO 45 HD2 PRO 45 -11.331 11.066 8.550 322 HD3 PRO 45 HD3 PRO 45 -10.380 9.704 9.151 323 H GLY 46 H GLY 46 -12.363 11.039 5.742 324 HA2 GLY 46 HA2 GLY 46 -14.619 10.976 3.809 325 HA3 GLY 46 HA3 GLY 46 -14.098 12.483 4.524 326 H GLY 47 H GLY 47 -11.787 9.881 3.297 327 HA2 GLY 47 HA2 GLY 47 -10.709 11.598 1.180 328 HA3 GLY 47 HA3 GLY 47 -10.049 10.080 1.738 329 H ALA 48 H ALA 48 -9.745 10.166 -0.774 330 HA ALA 48 HA ALA 48 -11.913 9.493 -2.565 331 HB1 ALA 48 HB1 ALA 48 -10.098 11.090 -3.232 332 HB2 ALA 48 HB2 ALA 48 -10.253 9.763 -4.383 333 HB3 ALA 48 HB3 ALA 48 -8.943 9.766 -3.203 334 H ALA 49 H ALA 49 -9.156 7.571 -1.174 335 HA ALA 49 HA ALA 49 -9.618 5.105 -2.643 336 HB1 ALA 49 HB1 ALA 49 -7.343 5.834 -2.024 337 HB2 ALA 49 HB2 ALA 49 -7.705 4.205 -1.452 338 HB3 ALA 49 HB3 ALA 49 -7.730 5.560 -0.321 339 H ALA 50 H ALA 50 -10.700 6.296 0.558 340 HA ALA 50 HA ALA 50 -11.608 3.795 1.725 341 HB1 ALA 50 HB1 ALA 50 -12.333 5.180 3.662 342 HB2 ALA 50 HB2 ALA 50 -12.091 6.647 2.731 343 HB3 ALA 50 HB3 ALA 50 -10.708 5.653 3.163 344 H GLN 51 H GLN 51 -13.335 6.697 0.219 345 HA GLN 51 HA GLN 51 -15.968 5.489 0.279 346 HB2 GLN 51 HB2 GLN 51 -15.133 8.276 -0.651 347 HB3 GLN 51 HB3 GLN 51 -16.799 7.734 -0.644 348 HG2 GLN 51 HG2 GLN 51 -16.411 7.399 1.927 349 HG3 GLN 51 HG3 GLN 51 -14.987 8.330 1.692 350 HE21 GLN 51 HE21 GLN 51 -17.411 8.906 3.301 351 HE22 GLN 51 HE22 GLN 51 -17.944 10.484 2.843 352 H ASP 52 H ASP 52 -13.867 6.805 -2.583 353 HA ASP 52 HA ASP 52 -15.724 5.732 -4.532 354 HB2 ASP 52 HB2 ASP 52 -13.555 7.812 -4.645 355 HB3 ASP 52 HB3 ASP 52 -14.097 7.081 -6.132 356 H GLY 53 H GLY 53 -12.339 4.899 -3.565 357 HA2 GLY 53 HA2 GLY 53 -11.602 3.404 -5.993 358 HA3 GLY 53 HA3 GLY 53 -10.598 3.652 -4.591 359 H ARG 54 H ARG 54 -12.202 2.403 -2.560 360 HA ARG 54 HA ARG 54 -12.873 0.722 -1.475 361 HB2 ARG 54 HB2 ARG 54 -13.341 -0.776 -4.040 362 HB3 ARG 54 HB3 ARG 54 -13.578 -1.649 -2.540 363 HG2 ARG 54 HG2 ARG 54 -15.192 0.841 -3.400 364 HG3 ARG 54 HG3 ARG 54 -15.743 -0.791 -3.700 365 HD2 ARG 54 HD2 ARG 54 -15.340 0.406 -0.907 366 HD3 ARG 54 HD3 ARG 54 -16.879 0.401 -1.751 367 HE ARG 54 HE ARG 54 -15.974 -2.277 -1.566 368 HH11 ARG 54 HH11 ARG 54 -17.289 0.047 0.914 369 HH12 ARG 54 HH12 ARG 54 -17.826 -1.236 1.946 370 HH21 ARG 54 HH21 ARG 54 -16.721 -3.838 -0.131 371 HH22 ARG 54 HH22 ARG 54 -17.503 -3.404 1.353 372 H LEU 55 H LEU 55 -10.570 1.310 -0.957 373 HA LEU 55 HA LEU 55 -9.139 -1.123 -0.237 374 HB2 LEU 55 HB2 LEU 55 -7.781 0.387 -1.487 375 HB3 LEU 55 HB3 LEU 55 -8.272 1.801 -0.589 376 HG LEU 55 HG LEU 55 -6.782 0.322 1.279 377 HD11 LEU 55 HD11 LEU 55 -5.426 -0.007 -1.380 378 HD12 LEU 55 HD12 LEU 55 -6.066 -1.307 -0.374 379 HD13 LEU 55 HD13 LEU 55 -4.715 -0.328 0.201 380 HD21 LEU 55 HD21 LEU 55 -5.189 2.105 0.956 381 HD22 LEU 55 HD22 LEU 55 -6.873 2.660 0.684 382 HD23 LEU 55 HD23 LEU 55 -5.838 2.345 -0.685 383 H ARG 56 H ARG 56 -9.152 -1.851 1.719 384 HA ARG 56 HA ARG 56 -9.752 -0.274 4.138 385 HB2 ARG 56 HB2 ARG 56 -10.278 -3.293 3.627 386 HB3 ARG 56 HB3 ARG 56 -10.220 -2.687 5.252 387 HG2 ARG 56 HG2 ARG 56 -12.147 -1.267 4.753 388 HG3 ARG 56 HG3 ARG 56 -12.199 -1.966 3.122 389 HD2 ARG 56 HD2 ARG 56 -12.334 -4.148 4.030 390 HD3 ARG 56 HD3 ARG 56 -12.167 -3.473 5.650 391 HE ARG 56 HE ARG 56 -14.449 -2.284 4.454 392 HH11 ARG 56 HH11 ARG 56 -13.930 -5.657 5.735 393 HH12 ARG 56 HH12 ARG 56 -15.623 -5.898 6.011 394 HH21 ARG 56 HH21 ARG 56 -16.615 -2.736 4.865 395 HH22 ARG 56 HH22 ARG 56 -17.116 -4.258 5.521 396 H VAL 57 H VAL 57 -8.452 -0.739 6.155 397 HA VAL 57 HA VAL 57 -5.614 -0.681 5.970 398 HB VAL 57 HB VAL 57 -7.437 0.134 7.595 399 HG11 VAL 57 HG11 VAL 57 -7.228 -0.776 9.963 400 HG12 VAL 57 HG12 VAL 57 -7.385 -2.293 8.951 401 HG13 VAL 57 HG13 VAL 57 -8.523 -0.923 8.760 402 HG21 VAL 57 HG21 VAL 57 -4.637 -0.128 8.351 403 HG22 VAL 57 HG22 VAL 57 -5.826 0.629 9.459 404 HG23 VAL 57 HG23 VAL 57 -5.672 1.207 7.776 405 H ASN 58 H ASN 58 -7.588 -3.449 6.250 406 HA ASN 58 HA ASN 58 -5.569 -5.389 6.912 407 HB2 ASN 58 HB2 ASN 58 -7.896 -5.178 7.966 408 HB3 ASN 58 HB3 ASN 58 -8.590 -5.803 6.490 409 HD21 ASN 58 HD21 ASN 58 -8.389 -8.078 6.040 410 HD22 ASN 58 HD22 ASN 58 -7.905 -9.226 7.236 411 H ASP 59 H ASP 59 -6.050 -3.801 3.887 412 HA ASP 59 HA ASP 59 -6.252 -6.131 2.121 413 HB2 ASP 59 HB2 ASP 59 -6.485 -3.181 1.593 414 HB3 ASP 59 HB3 ASP 59 -5.946 -4.195 0.262 415 H SER 60 H SER 60 -3.635 -3.867 3.045 416 HA SER 60 HA SER 60 -1.421 -3.562 2.595 417 HB2 SER 60 HB2 SER 60 -1.412 -6.547 3.193 418 HB3 SER 60 HB3 SER 60 0.060 -5.577 3.182 419 HG SER 60 HG SER 60 -0.471 -4.789 5.083 420 H ILE 61 H ILE 61 -0.067 -2.929 1.055 421 HA ILE 61 HA ILE 61 -0.332 -4.033 -1.659 422 HB ILE 61 HB ILE 61 1.405 -1.476 -1.020 423 HG12 ILE 61 HG12 ILE 61 -1.464 -1.158 -2.130 424 HG13 ILE 61 HG13 ILE 61 -1.240 -1.338 -0.405 425 HG21 ILE 61 HG21 ILE 61 0.150 -2.274 -3.724 426 HG22 ILE 61 HG22 ILE 61 1.848 -2.410 -3.321 427 HG23 ILE 61 HG23 ILE 61 1.110 -0.812 -3.449 428 HD11 ILE 61 HD11 ILE 61 -1.572 1.034 -1.027 429 HD12 ILE 61 HD12 ILE 61 -0.186 0.949 -2.115 430 HD13 ILE 61 HD13 ILE 61 0.061 0.806 -0.375 431 H LEU 62 H LEU 62 0.997 -5.428 -2.770 432 HA LEU 62 HA LEU 62 3.782 -5.905 -1.904 433 HB2 LEU 62 HB2 LEU 62 3.762 -7.984 -3.317 434 HB3 LEU 62 HB3 LEU 62 2.506 -8.050 -2.095 435 HG LEU 62 HG LEU 62 1.793 -7.435 -4.980 436 HD11 LEU 62 HD11 LEU 62 1.422 -9.808 -5.264 437 HD12 LEU 62 HD12 LEU 62 2.181 -10.100 -3.688 438 HD13 LEU 62 HD13 LEU 62 3.132 -9.415 -5.024 439 HD21 LEU 62 HD21 LEU 62 -0.298 -8.529 -4.378 440 HD22 LEU 62 HD22 LEU 62 0.037 -7.204 -3.263 441 HD23 LEU 62 HD23 LEU 62 0.327 -8.872 -2.765 442 H PHE 63 H PHE 63 1.972 -4.842 -4.792 443 HA PHE 63 HA PHE 63 4.511 -3.763 -5.930 444 HB2 PHE 63 HB2 PHE 63 2.512 -5.461 -7.518 445 HB3 PHE 63 HB3 PHE 63 3.651 -4.394 -8.347 446 HD1 PHE 63 HD1 PHE 63 3.485 -7.399 -6.090 447 HD2 PHE 63 HD2 PHE 63 5.868 -5.121 -8.738 448 HE1 PHE 63 HE1 PHE 63 5.086 -9.196 -6.085 449 HE2 PHE 63 HE2 PHE 63 7.552 -6.784 -8.752 450 HZ PHE 63 HZ PHE 63 7.221 -8.957 -7.446 451 H VAL 64 H VAL 64 4.531 -1.654 -6.782 452 HA VAL 64 HA VAL 64 1.988 -0.393 -7.437 453 HB VAL 64 HB VAL 64 3.132 1.888 -6.845 454 HG11 VAL 64 HG11 VAL 64 0.924 1.463 -6.168 455 HG12 VAL 64 HG12 VAL 64 1.733 2.100 -4.730 456 HG13 VAL 64 HG13 VAL 64 1.436 0.359 -4.889 457 HG21 VAL 64 HG21 VAL 64 3.979 2.019 -4.429 458 HG22 VAL 64 HG22 VAL 64 5.071 1.368 -5.620 459 HG23 VAL 64 HG23 VAL 64 4.211 0.262 -4.524 460 H ASN 65 H ASN 65 1.595 0.991 -9.030 461 HA ASN 65 HA ASN 65 1.670 1.841 -10.989 462 HB2 ASN 65 HB2 ASN 65 4.604 2.212 -10.367 463 HB3 ASN 65 HB3 ASN 65 4.495 2.283 -12.028 464 HD21 ASN 65 HD21 ASN 65 4.952 4.408 -12.332 465 HD22 ASN 65 HD22 ASN 65 4.116 5.758 -11.653 466 H GLU 66 H GLU 66 4.500 -0.308 -11.252 467 HA GLU 66 HA GLU 66 3.541 -2.695 -12.228 468 HB2 GLU 66 HB2 GLU 66 4.831 -2.895 -14.546 469 HB3 GLU 66 HB3 GLU 66 3.428 -1.869 -14.622 470 HG2 GLU 66 HG2 GLU 66 4.945 0.148 -14.645 471 HG3 GLU 66 HG3 GLU 66 6.339 -0.916 -14.549 472 H VAL 67 H VAL 67 5.452 -1.100 -10.223 473 HA VAL 67 HA VAL 67 7.953 -2.460 -10.519 474 HB VAL 67 HB VAL 67 9.091 -0.773 -9.233 475 HG11 VAL 67 HG11 VAL 67 9.148 -0.580 -11.453 476 HG12 VAL 67 HG12 VAL 67 9.284 1.050 -10.722 477 HG13 VAL 67 HG13 VAL 67 7.742 0.529 -11.497 478 HG21 VAL 67 HG21 VAL 67 6.639 1.062 -9.107 479 HG22 VAL 67 HG22 VAL 67 8.297 1.487 -8.523 480 HG23 VAL 67 HG23 VAL 67 7.411 0.139 -7.776 481 H ASP 68 H ASP 68 9.328 -2.855 -8.766 482 HA ASP 68 HA ASP 68 7.978 -4.421 -6.930 483 HB2 ASP 68 HB2 ASP 68 10.189 -5.877 -6.593 484 HB3 ASP 68 HB3 ASP 68 9.373 -6.015 -8.129 485 H VAL 69 H VAL 69 7.472 -3.480 -5.247 486 HA VAL 69 HA VAL 69 9.233 -1.769 -3.676 487 HB VAL 69 HB VAL 69 6.662 -1.659 -4.530 488 HG11 VAL 69 HG11 VAL 69 6.129 -1.613 -1.593 489 HG12 VAL 69 HG12 VAL 69 5.297 -2.504 -2.884 490 HG13 VAL 69 HG13 VAL 69 5.085 -0.762 -2.751 491 HG21 VAL 69 HG21 VAL 69 8.090 0.345 -2.939 492 HG22 VAL 69 HG22 VAL 69 6.560 0.691 -3.788 493 HG23 VAL 69 HG23 VAL 69 7.982 0.118 -4.708 494 H ARG 70 H ARG 70 8.365 -4.831 -3.628 495 HA ARG 70 HA ARG 70 8.011 -5.825 -0.931 496 HB2 ARG 70 HB2 ARG 70 7.680 -7.154 -3.168 497 HB3 ARG 70 HB3 ARG 70 9.390 -7.467 -3.154 498 HG2 ARG 70 HG2 ARG 70 8.389 -9.516 -2.438 499 HG3 ARG 70 HG3 ARG 70 8.951 -8.794 -0.943 500 HD2 ARG 70 HD2 ARG 70 6.610 -8.023 -0.482 501 HD3 ARG 70 HD3 ARG 70 6.080 -8.796 -1.974 502 HE ARG 70 HE ARG 70 7.371 -10.752 -0.434 503 HH11 ARG 70 HH11 ARG 70 4.181 -9.041 0.021 504 HH12 ARG 70 HH12 ARG 70 3.532 -10.339 0.967 505 HH21 ARG 70 HH21 ARG 70 6.399 -12.352 0.808 506 HH22 ARG 70 HH22 ARG 70 4.781 -12.185 1.402 507 H GLU 71 H GLU 71 11.078 -4.472 -2.196 508 HA GLU 71 HA GLU 71 12.515 -4.661 0.196 509 HB2 GLU 71 HB2 GLU 71 13.595 -6.222 -2.194 510 HB3 GLU 71 HB3 GLU 71 14.669 -5.325 -1.167 511 HG2 GLU 71 HG2 GLU 71 14.032 -6.776 0.774 512 HG3 GLU 71 HG3 GLU 71 12.852 -7.608 -0.228 513 H VAL 72 H VAL 72 12.014 -2.505 0.155 514 HA VAL 72 HA VAL 72 13.903 -0.683 -1.088 515 HB VAL 72 HB VAL 72 12.325 1.014 -1.981 516 HG11 VAL 72 HG11 VAL 72 12.900 -0.384 -3.705 517 HG12 VAL 72 HG12 VAL 72 11.239 0.169 -3.942 518 HG13 VAL 72 HG13 VAL 72 11.542 -1.469 -3.368 519 HG21 VAL 72 HG21 VAL 72 10.376 0.894 -0.521 520 HG22 VAL 72 HG22 VAL 72 9.836 -0.620 -1.264 521 HG23 VAL 72 HG23 VAL 72 9.830 0.890 -2.194 522 H THR 73 H THR 73 13.923 1.574 -0.054 523 HA THR 73 HA THR 73 13.220 1.800 2.788 524 HB THR 73 HB THR 73 13.846 4.377 2.340 525 HG1 THR 73 HG1 THR 73 13.963 4.330 0.112 526 HG21 THR 73 HG21 THR 73 15.202 3.018 3.735 527 HG22 THR 73 HG22 THR 73 16.221 4.004 2.681 528 HG23 THR 73 HG23 THR 73 16.003 2.271 2.333 529 H HIS 74 H HIS 74 11.858 3.695 3.733 530 HA HIS 74 HA HIS 74 9.136 3.777 2.915 531 HB2 HIS 74 HB2 HIS 74 8.627 5.570 4.659 532 HB3 HIS 74 HB3 HIS 74 9.706 4.347 5.282 533 HD1 HIS 74 HD1 HIS 74 9.332 8.023 4.937 534 HD2 HIS 74 HD2 HIS 74 12.478 5.424 5.775 535 HE1 HIS 74 HE1 HIS 74 11.151 9.460 5.945 536 HE2 HIS 74 HE2 HIS 74 13.004 7.851 6.511 537 H SER 75 H SER 75 11.420 6.429 2.334 538 HA SER 75 HA SER 75 9.815 8.231 0.736 539 HB2 SER 75 HB2 SER 75 11.903 8.940 1.970 540 HB3 SER 75 HB3 SER 75 12.887 8.087 0.783 541 HG SER 75 HG SER 75 12.802 10.314 0.300 542 H ALA 76 H ALA 76 11.784 5.409 -0.281 543 HA ALA 76 HA ALA 76 11.734 5.632 -3.147 544 HB1 ALA 76 HB1 ALA 76 13.496 4.410 -1.925 545 HB2 ALA 76 HB2 ALA 76 12.689 3.338 -3.088 546 HB3 ALA 76 HB3 ALA 76 12.285 3.263 -1.366 547 H ALA 77 H ALA 77 9.313 4.336 -0.778 548 HA ALA 77 HA ALA 77 7.599 3.018 -2.782 549 HB1 ALA 77 HB1 ALA 77 6.271 2.198 -0.932 550 HB2 ALA 77 HB2 ALA 77 7.167 3.241 0.210 551 HB3 ALA 77 HB3 ALA 77 7.979 1.885 -0.610 552 H VAL 78 H VAL 78 7.656 6.011 -0.811 553 HA VAL 78 HA VAL 78 5.046 7.093 -1.552 554 HB VAL 78 HB VAL 78 7.470 8.591 -0.202 555 HG11 VAL 78 HG11 VAL 78 5.973 10.374 0.626 556 HG12 VAL 78 HG12 VAL 78 4.604 9.614 -0.188 557 HG13 VAL 78 HG13 VAL 78 5.912 10.330 -1.153 558 HG21 VAL 78 HG21 VAL 78 6.536 6.847 1.181 559 HG22 VAL 78 HG22 VAL 78 4.931 7.592 1.004 560 HG23 VAL 78 HG23 VAL 78 6.205 8.444 1.895 561 H GLU 79 H GLU 79 8.305 7.646 -2.956 562 HA GLU 79 HA GLU 79 7.768 9.567 -5.034 563 HB2 GLU 79 HB2 GLU 79 9.998 7.621 -4.653 564 HB3 GLU 79 HB3 GLU 79 10.002 8.629 -6.089 565 HG2 GLU 79 HG2 GLU 79 9.917 10.661 -4.547 566 HG3 GLU 79 HG3 GLU 79 10.107 9.509 -3.228 567 H ALA 80 H ALA 80 7.162 6.166 -5.057 568 HA ALA 80 HA ALA 80 6.495 5.777 -7.869 569 HB1 ALA 80 HB1 ALA 80 5.692 4.102 -5.461 570 HB2 ALA 80 HB2 ALA 80 7.165 3.879 -6.402 571 HB3 ALA 80 HB3 ALA 80 5.591 3.595 -7.152 572 H LEU 81 H LEU 81 4.618 7.031 -4.952 573 HA LEU 81 HA LEU 81 2.095 7.142 -6.387 574 HB2 LEU 81 HB2 LEU 81 2.641 7.607 -3.413 575 HB3 LEU 81 HB3 LEU 81 1.047 7.682 -4.128 576 HG LEU 81 HG LEU 81 2.497 5.177 -4.575 577 HD11 LEU 81 HD11 LEU 81 1.764 5.831 -1.786 578 HD12 LEU 81 HD12 LEU 81 3.352 5.538 -2.526 579 HD13 LEU 81 HD13 LEU 81 2.186 4.215 -2.404 580 HD21 LEU 81 HD21 LEU 81 0.378 4.077 -4.029 581 HD22 LEU 81 HD22 LEU 81 0.191 5.371 -5.218 582 HD23 LEU 81 HD23 LEU 81 -0.307 5.648 -3.537 583 H LYS 82 H LYS 82 4.432 9.470 -5.182 584 HA LYS 82 HA LYS 82 2.884 11.865 -5.832 585 HB2 LYS 82 HB2 LYS 82 5.583 11.446 -4.559 586 HB3 LYS 82 HB3 LYS 82 5.207 13.043 -5.144 587 HG2 LYS 82 HG2 LYS 82 3.179 13.049 -3.573 588 HG3 LYS 82 HG3 LYS 82 3.723 11.506 -2.943 589 HD2 LYS 82 HD2 LYS 82 4.620 12.915 -1.312 590 HD3 LYS 82 HD3 LYS 82 5.967 12.887 -2.423 591 HE2 LYS 82 HE2 LYS 82 3.890 15.142 -2.357 592 HE3 LYS 82 HE3 LYS 82 5.367 15.181 -1.412 593 HZ1 LYS 82 HZ1 LYS 82 6.638 15.157 -3.502 594 HZ2 LYS 82 HZ2 LYS 82 5.581 16.476 -3.457 595 HZ3 LYS 82 HZ3 LYS 82 5.200 15.122 -4.396 596 H GLU 83 H GLU 83 5.626 10.130 -7.366 597 HA GLU 83 HA GLU 83 6.019 12.197 -9.439 598 HB2 GLU 83 HB2 GLU 83 7.554 9.834 -8.764 599 HB3 GLU 83 HB3 GLU 83 7.929 10.628 -10.301 600 HG2 GLU 83 HG2 GLU 83 8.002 12.707 -9.042 601 HG3 GLU 83 HG3 GLU 83 7.993 11.772 -7.561 602 H ALA 84 H ALA 84 4.123 9.381 -9.588 603 HA ALA 84 HA ALA 84 4.212 8.776 -12.442 604 HB1 ALA 84 HB1 ALA 84 1.774 8.312 -10.690 605 HB2 ALA 84 HB2 ALA 84 3.161 7.231 -10.774 606 HB3 ALA 84 HB3 ALA 84 2.151 7.483 -12.198 607 H GLY 85 H GLY 85 2.468 11.301 -10.809 608 HA2 GLY 85 HA2 GLY 85 2.495 13.571 -11.974 609 HA3 GLY 85 HA3 GLY 85 1.980 12.589 -13.341 610 H SER 86 H SER 86 -0.169 11.196 -12.248 611 HA SER 86 HA SER 86 -2.396 12.836 -11.437 612 HB2 SER 86 HB2 SER 86 -1.823 12.417 -14.264 613 HB3 SER 86 HB3 SER 86 -3.580 12.489 -13.902 614 HG SER 86 HG SER 86 -1.524 14.477 -13.513 615 H ILE 87 H ILE 87 -1.200 9.802 -12.928 616 HA ILE 87 HA ILE 87 -3.546 8.242 -12.032 617 HB ILE 87 HB ILE 87 -2.181 7.632 -14.762 618 HG12 ILE 87 HG12 ILE 87 -3.429 9.716 -15.059 619 HG13 ILE 87 HG13 ILE 87 -4.157 8.527 -16.137 620 HG21 ILE 87 HG21 ILE 87 -4.028 6.057 -15.439 621 HG22 ILE 87 HG22 ILE 87 -4.630 6.210 -13.773 622 HG23 ILE 87 HG23 ILE 87 -3.020 5.541 -14.060 623 HD11 ILE 87 HD11 ILE 87 -6.159 8.535 -14.569 624 HD12 ILE 87 HD12 ILE 87 -5.830 10.191 -15.114 625 HD13 ILE 87 HD13 ILE 87 -5.306 9.635 -13.517 626 H VAL 88 H VAL 88 -3.056 7.078 -10.524 627 HA VAL 88 HA VAL 88 -0.599 5.447 -10.405 628 HB VAL 88 HB VAL 88 -1.538 5.603 -8.110 629 HG11 VAL 88 HG11 VAL 88 0.694 7.407 -7.513 630 HG12 VAL 88 HG12 VAL 88 0.494 7.717 -9.229 631 HG13 VAL 88 HG13 VAL 88 1.125 6.162 -8.705 632 HG21 VAL 88 HG21 VAL 88 -2.311 5.956 -6.824 633 HG22 VAL 88 HG22 VAL 88 -2.598 7.561 -7.506 634 HG23 VAL 88 HG23 VAL 88 -1.209 7.282 -6.456 635 H ARG 89 H ARG 89 -0.694 3.412 -10.402 636 HA ARG 89 HA ARG 89 -3.091 1.952 -9.539 637 HB2 ARG 89 HB2 ARG 89 -2.779 0.094 -11.451 638 HB3 ARG 89 HB3 ARG 89 -3.320 1.658 -11.968 639 HG2 ARG 89 HG2 ARG 89 -1.122 2.083 -12.908 640 HG3 ARG 89 HG3 ARG 89 -0.535 0.543 -12.250 641 HD2 ARG 89 HD2 ARG 89 -2.355 -0.568 -13.392 642 HD3 ARG 89 HD3 ARG 89 -2.777 0.962 -14.153 643 HE ARG 89 HE ARG 89 -0.076 0.558 -14.766 644 HH11 ARG 89 HH11 ARG 89 -2.999 -1.307 -15.902 645 HH12 ARG 89 HH12 ARG 89 -2.202 -1.827 -17.350 646 HH21 ARG 89 HH21 ARG 89 0.830 -0.197 -16.686 647 HH22 ARG 89 HH22 ARG 89 -0.064 -1.203 -17.777 648 H LEU 90 H LEU 90 -3.072 0.925 -7.823 649 HA LEU 90 HA LEU 90 -0.722 -0.416 -6.709 650 HB2 LEU 90 HB2 LEU 90 -2.045 -0.358 -4.463 651 HB3 LEU 90 HB3 LEU 90 -1.601 1.233 -5.072 652 HG LEU 90 HG LEU 90 -3.645 1.487 -3.977 653 HD11 LEU 90 HD11 LEU 90 -4.654 1.312 -6.623 654 HD12 LEU 90 HD12 LEU 90 -4.082 2.694 -5.627 655 HD13 LEU 90 HD13 LEU 90 -5.529 1.796 -5.160 656 HD21 LEU 90 HD21 LEU 90 -5.402 -0.012 -3.711 657 HD22 LEU 90 HD22 LEU 90 -3.802 -0.822 -3.527 658 HD23 LEU 90 HD23 LEU 90 -4.736 -1.053 -4.997 659 H TYR 91 H TYR 91 -0.488 -2.467 -6.096 660 HA TYR 91 HA TYR 91 -2.590 -4.492 -6.605 661 HB2 TYR 91 HB2 TYR 91 -0.411 -4.504 -8.231 662 HB3 TYR 91 HB3 TYR 91 0.387 -5.116 -6.861 663 HD1 TYR 91 HD1 TYR 91 -2.895 -6.261 -8.464 664 HD2 TYR 91 HD2 TYR 91 0.998 -7.314 -7.113 665 HE1 TYR 91 HE1 TYR 91 -3.407 -8.492 -8.961 666 HE2 TYR 91 HE2 TYR 91 0.576 -9.623 -7.612 667 HH TYR 91 HH TYR 91 -1.408 -11.155 -7.941 668 H VAL 92 H VAL 92 -3.449 -5.276 -4.944 669 HA VAL 92 HA VAL 92 -2.032 -5.588 -2.357 670 HB VAL 92 HB VAL 92 -4.204 -5.333 -1.107 671 HG11 VAL 92 HG11 VAL 92 -3.038 -3.277 -1.437 672 HG12 VAL 92 HG12 VAL 92 -4.786 -3.007 -1.474 673 HG13 VAL 92 HG13 VAL 92 -3.884 -3.011 -2.968 674 HG21 VAL 92 HG21 VAL 92 -6.387 -4.638 -2.262 675 HG22 VAL 92 HG22 VAL 92 -5.731 -6.280 -2.566 676 HG23 VAL 92 HG23 VAL 92 -5.557 -5.081 -3.810 677 H MET 93 H MET 93 -2.823 -7.168 -0.734 678 HA MET 93 HA MET 93 -3.431 -9.977 -1.626 679 HB2 MET 93 HB2 MET 93 -1.506 -11.040 -0.269 680 HB3 MET 93 HB3 MET 93 -0.940 -10.036 -1.576 681 HG2 MET 93 HG2 MET 93 0.601 -9.749 0.255 682 HG3 MET 93 HG3 MET 93 -0.298 -8.258 0.109 683 HE1 MET 93 HE1 MET 93 -0.377 -11.173 3.780 684 HE2 MET 93 HE2 MET 93 0.852 -11.170 2.516 685 HE3 MET 93 HE3 MET 93 -0.765 -11.784 2.172 686 H ARG 94 H ARG 94 -5.011 -10.975 -0.842 687 HA ARG 94 HA ARG 94 -5.951 -10.583 1.918 688 HB2 ARG 94 HB2 ARG 94 -7.644 -10.960 -0.632 689 HB3 ARG 94 HB3 ARG 94 -8.305 -11.318 0.942 690 HG2 ARG 94 HG2 ARG 94 -8.042 -8.926 1.563 691 HG3 ARG 94 HG3 ARG 94 -7.406 -8.600 -0.055 692 HD2 ARG 94 HD2 ARG 94 -9.502 -9.360 -1.051 693 HD3 ARG 94 HD3 ARG 94 -10.138 -9.751 0.545 694 HE ARG 94 HE ARG 94 -9.416 -7.034 0.546 695 HH11 ARG 94 HH11 ARG 94 -12.153 -8.833 -1.063 696 HH12 ARG 94 HH12 ARG 94 -13.153 -7.420 -1.117 697 HH21 ARG 94 HH21 ARG 94 -10.826 -5.285 0.409 698 HH22 ARG 94 HH22 ARG 94 -12.402 -5.444 -0.291 699 H ARG 95 H ARG 95 -6.476 -12.315 3.132 700 HA ARG 95 HA ARG 95 -5.621 -15.020 2.397 701 HB2 ARG 95 HB2 ARG 95 -5.035 -13.769 4.655 702 HB3 ARG 95 HB3 ARG 95 -6.650 -14.199 5.172 703 HG2 ARG 95 HG2 ARG 95 -6.066 -16.601 5.089 704 HG3 ARG 95 HG3 ARG 95 -4.481 -16.216 4.437 705 HD2 ARG 95 HD2 ARG 95 -4.136 -16.699 6.680 706 HD3 ARG 95 HD3 ARG 95 -4.074 -14.931 6.553 707 HE ARG 95 HE ARG 95 -6.709 -15.750 7.335 708 HH11 ARG 95 HH11 ARG 95 -3.556 -15.440 9.134 709 HH12 ARG 95 HH12 ARG 95 -4.357 -15.262 10.660 710 HH21 ARG 95 HH21 ARG 95 -7.610 -15.506 9.379 711 HH22 ARG 95 HH22 ARG 95 -6.622 -15.301 10.787 712 H LYS 96 H LYS 96 -6.801 -16.890 2.380 713 HA LYS 96 HA LYS 96 -9.373 -16.950 1.246 714 HB2 LYS 96 HB2 LYS 96 -9.202 -19.553 1.302 715 HB3 LYS 96 HB3 LYS 96 -7.949 -18.708 0.434 716 HG2 LYS 96 HG2 LYS 96 -6.348 -19.158 2.204 717 HG3 LYS 96 HG3 LYS 96 -7.591 -19.851 3.255 718 HD2 LYS 96 HD2 LYS 96 -7.901 -21.685 1.587 719 HD3 LYS 96 HD3 LYS 96 -6.640 -20.976 0.589 720 HE2 LYS 96 HE2 LYS 96 -5.585 -22.779 1.729 721 HE3 LYS 96 HE3 LYS 96 -5.059 -21.338 2.581 722 HZ1 LYS 96 HZ1 LYS 96 -5.627 -23.135 4.122 723 HZ2 LYS 96 HZ2 LYS 96 -7.197 -23.221 3.504 724 HZ3 LYS 96 HZ3 LYS 96 -6.695 -21.838 4.336 725 HA PRO 97 HA PRO 97 -12.504 -17.313 4.774 726 HB2 PRO 97 HB2 PRO 97 -14.689 -17.193 2.772 727 HB3 PRO 97 HB3 PRO 97 -14.297 -16.038 4.044 728 HG2 PRO 97 HG2 PRO 97 -13.941 -15.437 1.437 729 HG3 PRO 97 HG3 PRO 97 -12.832 -14.841 2.686 730 HD2 PRO 97 HD2 PRO 97 -12.498 -17.196 0.832 731 HD3 PRO 97 HD3 PRO 97 -11.342 -15.892 1.196 732 HA PRO 98 HA PRO 98 -13.938 -21.889 4.835 733 HB2 PRO 98 HB2 PRO 98 -15.961 -21.284 6.955 734 HB3 PRO 98 HB3 PRO 98 -14.568 -22.362 7.024 735 HG2 PRO 98 HG2 PRO 98 -14.568 -20.058 8.381 736 HG3 PRO 98 HG3 PRO 98 -13.094 -20.630 7.580 737 HD2 PRO 98 HD2 PRO 98 -15.074 -18.564 6.635 738 HD3 PRO 98 HD3 PRO 98 -13.301 -18.452 6.700 739 H ALA 99 H ALA 99 -15.323 -23.278 3.746 740 HA ALA 99 HA ALA 99 -17.938 -22.353 2.744 741 HB1 ALA 99 HB1 ALA 99 -16.131 -24.372 1.314 742 HB2 ALA 99 HB2 ALA 99 -16.230 -22.658 0.909 743 HB3 ALA 99 HB3 ALA 99 -17.637 -23.694 0.685 744 H1 VAL 1 H1 VAL 1 6.874 -3.807 19.326 745 H2 VAL 1 H2 VAL 1 5.267 -3.650 18.828 746 H3 VAL 1 H3 VAL 1 5.823 -2.770 20.160 747 HA VAL 1 HA VAL 1 7.008 -2.508 17.498 748 HB VAL 1 HB VAL 1 5.766 -0.263 17.101 749 HG11 VAL 1 HG11 VAL 1 3.865 -1.275 15.950 750 HG12 VAL 1 HG12 VAL 1 4.112 -2.753 16.884 751 HG13 VAL 1 HG13 VAL 1 5.342 -2.236 15.765 752 HG21 VAL 1 HG21 VAL 1 4.625 0.114 19.310 753 HG22 VAL 1 HG22 VAL 1 3.678 -1.355 19.078 754 HG23 VAL 1 HG23 VAL 1 3.429 0.026 18.011 755 H VAL 2 H VAL 2 8.636 -1.593 17.034 756 HA VAL 2 HA VAL 2 10.094 -0.227 19.154 757 HB VAL 2 HB VAL 2 12.348 -0.745 17.952 758 HG11 VAL 2 HG11 VAL 2 12.572 -3.048 18.760 759 HG12 VAL 2 HG12 VAL 2 10.827 -3.113 18.984 760 HG13 VAL 2 HG13 VAL 2 11.791 -1.965 19.916 761 HG21 VAL 2 HG21 VAL 2 11.598 -1.397 15.651 762 HG22 VAL 2 HG22 VAL 2 10.737 -2.786 16.300 763 HG23 VAL 2 HG23 VAL 2 12.491 -2.729 16.388 764 H SER 3 H SER 3 9.269 0.509 15.733 765 HA SER 3 HA SER 3 9.907 3.262 16.085 766 HB2 SER 3 HB2 SER 3 11.471 1.822 13.874 767 HB3 SER 3 HB3 SER 3 11.280 3.570 13.910 768 HG SER 3 HG SER 3 12.638 3.693 15.572 769 H GLU 4 H GLU 4 8.346 4.590 15.251 770 HA GLU 4 HA GLU 4 7.167 3.958 12.682 771 HB2 GLU 4 HB2 GLU 4 5.550 3.231 14.756 772 HB3 GLU 4 HB3 GLU 4 4.940 4.906 14.551 773 HG2 GLU 4 HG2 GLU 4 4.424 4.126 12.130 774 HG3 GLU 4 HG3 GLU 4 5.142 2.596 12.816 775 H ARG 5 H ARG 5 7.890 5.363 11.446 776 HA ARG 5 HA ARG 5 6.851 8.096 11.668 777 HB2 ARG 5 HB2 ARG 5 9.421 7.236 10.136 778 HB3 ARG 5 HB3 ARG 5 8.632 8.755 9.775 779 HG2 ARG 5 HG2 ARG 5 9.115 9.521 12.090 780 HG3 ARG 5 HG3 ARG 5 9.933 7.990 12.406 781 HD2 ARG 5 HD2 ARG 5 11.543 8.485 10.619 782 HD3 ARG 5 HD3 ARG 5 10.722 10.011 10.295 783 HE ARG 5 HE ARG 5 11.545 9.838 13.034 784 HH11 ARG 5 HH11 ARG 5 13.127 10.787 9.889 785 HH12 ARG 5 HH12 ARG 5 14.359 11.703 10.694 786 HH21 ARG 5 HH21 ARG 5 13.204 11.058 13.942 787 HH22 ARG 5 HH22 ARG 5 14.394 11.847 12.959 788 H ILE 6 H ILE 6 4.853 7.430 11.170 789 HA ILE 6 HA ILE 6 4.262 5.880 8.803 790 HB ILE 6 HB ILE 6 3.356 5.552 11.221 791 HG12 ILE 6 HG12 ILE 6 2.847 3.701 9.807 792 HG13 ILE 6 HG13 ILE 6 1.339 4.069 10.579 793 HG21 ILE 6 HG21 ILE 6 2.221 7.284 12.021 794 HG22 ILE 6 HG22 ILE 6 1.015 6.010 11.865 795 HG23 ILE 6 HG23 ILE 6 1.065 7.316 10.685 796 HD11 ILE 6 HD11 ILE 6 2.062 4.613 7.658 797 HD12 ILE 6 HD12 ILE 6 0.453 4.918 8.288 798 HD13 ILE 6 HD13 ILE 6 1.096 3.293 8.185 799 H SER 7 H SER 7 4.055 9.187 9.500 800 HA SER 7 HA SER 7 2.006 10.145 7.710 801 HB2 SER 7 HB2 SER 7 4.326 11.773 8.886 802 HB3 SER 7 HB3 SER 7 3.035 12.512 7.944 803 HG SER 7 HG SER 7 2.257 10.887 10.065 804 H SER 8 H SER 8 2.018 9.118 5.910 805 HA SER 8 HA SER 8 3.780 9.690 3.603 806 HB2 SER 8 HB2 SER 8 2.937 6.798 4.474 807 HB3 SER 8 HB3 SER 8 3.782 7.210 3.014 808 HG SER 8 HG SER 8 5.468 8.133 4.436 809 H VAL 9 H VAL 9 2.478 8.056 1.576 810 HA VAL 9 HA VAL 9 -0.357 8.961 1.435 811 HB VAL 9 HB VAL 9 1.277 8.414 -1.242 812 HG11 VAL 9 HG11 VAL 9 -1.026 10.313 -0.795 813 HG12 VAL 9 HG12 VAL 9 -1.092 8.718 -1.543 814 HG13 VAL 9 HG13 VAL 9 -0.213 10.027 -2.333 815 HG21 VAL 9 HG21 VAL 9 2.667 10.204 -0.179 816 HG22 VAL 9 HG22 VAL 9 1.242 11.225 -0.010 817 HG23 VAL 9 HG23 VAL 9 1.846 10.821 -1.615 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -14.142 -24.715 -7.384 2 H2 GLY 1 H2 GLY 1 -14.958 -26.191 -7.491 3 H3 GLY 1 H3 GLY 1 -13.511 -25.964 -8.336 4 HA2 GLY 1 HA2 GLY 1 -13.806 -26.029 -5.379 5 HA3 GLY 1 HA3 GLY 1 -13.147 -27.324 -6.366 6 H ALA 2 H ALA 2 -12.572 -24.291 -4.768 7 HA ALA 2 HA ALA 2 -9.755 -24.072 -5.658 8 HB1 ALA 2 HB1 ALA 2 -11.447 -21.826 -4.449 9 HB2 ALA 2 HB2 ALA 2 -11.151 -22.039 -6.173 10 HB3 ALA 2 HB3 ALA 2 -9.811 -21.656 -5.094 11 H MET 3 H MET 3 -8.093 -24.482 -4.375 12 HA MET 3 HA MET 3 -8.351 -24.489 -1.456 13 HB2 MET 3 HB2 MET 3 -6.628 -26.445 -1.250 14 HB3 MET 3 HB3 MET 3 -8.133 -26.894 -2.003 15 HG2 MET 3 HG2 MET 3 -6.974 -26.885 -4.234 16 HG3 MET 3 HG3 MET 3 -5.473 -26.440 -3.430 17 HE1 MET 3 HE1 MET 3 -5.753 -28.937 -5.397 18 HE2 MET 3 HE2 MET 3 -4.847 -30.162 -4.511 19 HE3 MET 3 HE3 MET 3 -4.247 -28.506 -4.587 20 H GLU 4 H GLU 4 -7.216 -22.482 -3.353 21 HA GLU 4 HA GLU 4 -4.882 -21.549 -1.877 22 HB2 GLU 4 HB2 GLU 4 -3.855 -20.481 -4.017 23 HB3 GLU 4 HB3 GLU 4 -3.801 -22.221 -3.873 24 HG2 GLU 4 HG2 GLU 4 -5.640 -22.382 -5.515 25 HG3 GLU 4 HG3 GLU 4 -5.707 -20.624 -5.615 26 H MET 5 H MET 5 -4.291 -19.185 -1.938 27 HA MET 5 HA MET 5 -6.539 -17.501 -1.280 28 HB2 MET 5 HB2 MET 5 -4.868 -15.749 -0.425 29 HB3 MET 5 HB3 MET 5 -4.640 -17.317 0.295 30 HG2 MET 5 HG2 MET 5 -2.669 -17.629 -1.231 31 HG3 MET 5 HG3 MET 5 -2.879 -15.983 -1.794 32 HE1 MET 5 HE1 MET 5 -0.123 -17.050 -0.541 33 HE2 MET 5 HE2 MET 5 0.325 -15.688 0.487 34 HE3 MET 5 HE3 MET 5 -0.346 -15.399 -1.119 35 H GLU 6 H GLU 6 -6.532 -14.978 -1.873 36 HA GLU 6 HA GLU 6 -6.644 -14.732 -4.790 37 HB2 GLU 6 HB2 GLU 6 -8.996 -13.605 -4.826 38 HB3 GLU 6 HB3 GLU 6 -8.992 -15.312 -4.488 39 HG2 GLU 6 HG2 GLU 6 -9.530 -14.850 -2.098 40 HG3 GLU 6 HG3 GLU 6 -9.405 -13.121 -2.388 41 H TYR 7 H TYR 7 -5.931 -13.109 -5.832 42 HA TYR 7 HA TYR 7 -5.000 -10.670 -4.417 43 HB2 TYR 7 HB2 TYR 7 -3.982 -11.816 -7.082 44 HB3 TYR 7 HB3 TYR 7 -3.359 -10.391 -6.330 45 HD1 TYR 7 HD1 TYR 7 -3.479 -14.145 -5.850 46 HD2 TYR 7 HD2 TYR 7 -1.621 -10.485 -4.796 47 HE1 TYR 7 HE1 TYR 7 -1.716 -15.420 -4.779 48 HE2 TYR 7 HE2 TYR 7 0.267 -11.747 -3.730 49 HH TYR 7 HH TYR 7 0.687 -15.108 -4.143 50 H GLU 8 H GLU 8 -5.271 -8.567 -5.153 51 HA GLU 8 HA GLU 8 -7.301 -8.030 -7.291 52 HB2 GLU 8 HB2 GLU 8 -8.393 -8.032 -4.867 53 HB3 GLU 8 HB3 GLU 8 -7.521 -6.555 -4.569 54 HG2 GLU 8 HG2 GLU 8 -9.809 -5.916 -4.989 55 HG3 GLU 8 HG3 GLU 8 -8.940 -5.482 -6.444 56 H GLU 9 H GLU 9 -6.879 -6.462 -8.760 57 HA GLU 9 HA GLU 9 -4.834 -4.481 -8.241 58 HB2 GLU 9 HB2 GLU 9 -4.517 -4.170 -10.781 59 HB3 GLU 9 HB3 GLU 9 -4.072 -5.741 -10.153 60 HG2 GLU 9 HG2 GLU 9 -6.135 -6.743 -11.196 61 HG3 GLU 9 HG3 GLU 9 -6.601 -5.159 -11.798 62 H ILE 10 H ILE 10 -5.375 -2.426 -7.652 63 HA ILE 10 HA ILE 10 -7.922 -1.212 -8.629 64 HB ILE 10 HB ILE 10 -6.509 -0.721 -5.879 65 HG12 ILE 10 HG12 ILE 10 -9.351 -1.816 -5.809 66 HG13 ILE 10 HG13 ILE 10 -8.089 -2.920 -6.323 67 HG21 ILE 10 HG21 ILE 10 -8.566 0.588 -5.055 68 HG22 ILE 10 HG22 ILE 10 -9.097 0.717 -6.754 69 HG23 ILE 10 HG23 ILE 10 -7.528 1.377 -6.227 70 HD11 ILE 10 HD11 ILE 10 -6.907 -2.344 -4.146 71 HD12 ILE 10 HD12 ILE 10 -8.391 -3.320 -3.971 72 HD13 ILE 10 HD13 ILE 10 -8.419 -1.578 -3.616 73 H THR 11 H THR 11 -8.052 0.996 -9.373 74 HA THR 11 HA THR 11 -5.613 2.621 -9.698 75 HB THR 11 HB THR 11 -7.191 3.716 -11.705 76 HG1 THR 11 HG1 THR 11 -8.123 2.239 -12.972 77 HG21 THR 11 HG21 THR 11 -5.006 1.654 -12.080 78 HG22 THR 11 HG22 THR 11 -4.834 3.411 -11.958 79 HG23 THR 11 HG23 THR 11 -5.629 2.704 -13.364 80 H LEU 12 H LEU 12 -5.415 4.546 -8.914 81 HA LEU 12 HA LEU 12 -7.713 6.323 -8.315 82 HB2 LEU 12 HB2 LEU 12 -5.452 5.532 -6.436 83 HB3 LEU 12 HB3 LEU 12 -5.955 7.184 -6.347 84 HG LEU 12 HG LEU 12 -6.864 6.091 -4.496 85 HD11 LEU 12 HD11 LEU 12 -8.475 7.597 -5.195 86 HD12 LEU 12 HD12 LEU 12 -9.300 6.180 -4.548 87 HD13 LEU 12 HD13 LEU 12 -9.210 6.425 -6.292 88 HD21 LEU 12 HD21 LEU 12 -6.653 3.764 -5.030 89 HD22 LEU 12 HD22 LEU 12 -7.984 3.861 -6.183 90 HD23 LEU 12 HD23 LEU 12 -8.294 4.075 -4.461 91 H GLU 13 H GLU 13 -7.177 8.758 -8.086 92 HA GLU 13 HA GLU 13 -5.156 9.763 -10.006 93 HB2 GLU 13 HB2 GLU 13 -7.530 11.291 -8.744 94 HB3 GLU 13 HB3 GLU 13 -6.394 12.007 -9.868 95 HG2 GLU 13 HG2 GLU 13 -8.353 11.697 -11.144 96 HG3 GLU 13 HG3 GLU 13 -7.380 10.300 -11.565 97 H ARG 14 H ARG 14 -3.510 11.325 -9.531 98 HA ARG 14 HA ARG 14 -2.247 11.066 -6.930 99 HB2 ARG 14 HB2 ARG 14 -1.018 10.493 -9.021 100 HB3 ARG 14 HB3 ARG 14 -1.277 12.075 -9.672 101 HG2 ARG 14 HG2 ARG 14 0.490 11.950 -7.247 102 HG3 ARG 14 HG3 ARG 14 1.102 11.120 -8.665 103 HD2 ARG 14 HD2 ARG 14 2.065 13.278 -8.806 104 HD3 ARG 14 HD3 ARG 14 0.708 13.365 -9.913 105 HE ARG 14 HE ARG 14 -0.195 14.357 -7.448 106 HH11 ARG 14 HH11 ARG 14 2.243 15.698 -9.801 107 HH12 ARG 14 HH12 ARG 14 1.967 17.326 -9.276 108 HH21 ARG 14 HH21 ARG 14 -0.449 16.514 -6.870 109 HH22 ARG 14 HH22 ARG 14 0.462 17.771 -7.638 110 H GLY 15 H GLY 15 -2.830 12.427 -5.249 111 HA2 GLY 15 HA2 GLY 15 -2.156 14.169 -3.800 112 HA3 GLY 15 HA3 GLY 15 -1.375 14.953 -5.137 113 H ASN 16 H ASN 16 -2.924 16.166 -6.669 114 HA ASN 16 HA ASN 16 -4.363 18.212 -5.340 115 HB2 ASN 16 HB2 ASN 16 -4.818 19.228 -7.677 116 HB3 ASN 16 HB3 ASN 16 -3.138 18.931 -7.314 117 HD21 ASN 16 HD21 ASN 16 -5.849 18.109 -9.369 118 HD22 ASN 16 HD22 ASN 16 -4.976 17.205 -10.555 119 H SER 17 H SER 17 -5.722 15.237 -6.486 120 HA SER 17 HA SER 17 -8.535 16.051 -6.397 121 HB2 SER 17 HB2 SER 17 -7.265 13.343 -7.040 122 HB3 SER 17 HB3 SER 17 -9.006 13.602 -6.991 123 HG SER 17 HG SER 17 -8.751 14.150 -9.014 124 H GLY 18 H GLY 18 -6.179 14.382 -4.004 125 HA2 GLY 18 HA2 GLY 18 -6.566 14.830 -1.729 126 HA3 GLY 18 HA3 GLY 18 -8.298 14.691 -1.974 127 H LEU 19 H LEU 19 -5.258 12.683 -2.327 128 HA LEU 19 HA LEU 19 -6.448 10.169 -1.849 129 HB2 LEU 19 HB2 LEU 19 -3.475 10.944 -1.978 130 HB3 LEU 19 HB3 LEU 19 -3.927 9.321 -1.513 131 HG LEU 19 HG LEU 19 -4.819 10.420 -4.186 132 HD11 LEU 19 HD11 LEU 19 -2.151 9.212 -3.498 133 HD12 LEU 19 HD12 LEU 19 -2.428 10.894 -3.878 134 HD13 LEU 19 HD13 LEU 19 -2.695 9.651 -5.129 135 HD21 LEU 19 HD21 LEU 19 -3.956 7.695 -3.216 136 HD22 LEU 19 HD22 LEU 19 -4.498 8.088 -4.857 137 HD23 LEU 19 HD23 LEU 19 -5.634 8.193 -3.498 138 H GLY 20 H GLY 20 -7.145 9.051 -0.090 139 HA2 GLY 20 HA2 GLY 20 -6.752 10.147 2.595 140 HA3 GLY 20 HA3 GLY 20 -8.255 9.499 1.983 141 H PHE 21 H PHE 21 -4.807 8.426 2.287 142 HA PHE 21 HA PHE 21 -5.260 6.603 4.375 143 HB2 PHE 21 HB2 PHE 21 -4.463 4.446 3.341 144 HB3 PHE 21 HB3 PHE 21 -5.812 5.009 2.438 145 HD1 PHE 21 HD1 PHE 21 -5.297 6.099 0.014 146 HD2 PHE 21 HD2 PHE 21 -2.463 3.748 2.181 147 HE1 PHE 21 HE1 PHE 21 -4.103 5.610 -2.099 148 HE2 PHE 21 HE2 PHE 21 -1.259 3.271 0.059 149 HZ PHE 21 HZ PHE 21 -2.078 4.209 -2.063 150 H SER 22 H SER 22 -2.843 5.700 5.299 151 HA SER 22 HA SER 22 -0.563 6.991 4.007 152 HB2 SER 22 HB2 SER 22 -0.935 6.920 7.053 153 HB3 SER 22 HB3 SER 22 0.545 7.361 6.194 154 HG SER 22 HG SER 22 -1.296 8.900 5.191 155 H ILE 23 H ILE 23 1.505 5.876 4.076 156 HA ILE 23 HA ILE 23 1.365 3.067 4.826 157 HB ILE 23 HB ILE 23 2.804 2.389 2.773 158 HG12 ILE 23 HG12 ILE 23 1.842 3.347 0.532 159 HG13 ILE 23 HG13 ILE 23 1.126 4.640 1.466 160 HG21 ILE 23 HG21 ILE 23 0.591 1.640 1.748 161 HG22 ILE 23 HG22 ILE 23 -0.039 2.876 2.932 162 HG23 ILE 23 HG23 ILE 23 0.832 1.515 3.545 163 HD11 ILE 23 HD11 ILE 23 3.009 5.531 0.239 164 HD12 ILE 23 HD12 ILE 23 4.083 4.247 0.790 165 HD13 ILE 23 HD13 ILE 23 3.503 5.468 1.929 166 H ALA 24 H ALA 24 2.655 1.771 5.643 167 HA ALA 24 HA ALA 24 5.228 2.859 6.638 168 HB1 ALA 24 HB1 ALA 24 4.893 1.471 8.702 169 HB2 ALA 24 HB2 ALA 24 3.435 0.772 8.028 170 HB3 ALA 24 HB3 ALA 24 3.457 2.471 8.445 171 H GLY 25 H GLY 25 7.049 2.014 5.921 172 HA2 GLY 25 HA2 GLY 25 7.635 -0.771 5.392 173 HA3 GLY 25 HA3 GLY 25 7.426 0.136 3.910 174 H GLY 26 H GLY 26 9.822 -1.146 4.289 175 HA2 GLY 26 HA2 GLY 26 11.910 0.733 4.296 176 HA3 GLY 26 HA3 GLY 26 11.747 0.278 5.965 177 H THR 27 H THR 27 13.759 0.040 3.576 178 HA THR 27 HA THR 27 14.789 -2.593 4.354 179 HB THR 27 HB THR 27 16.806 -2.025 2.660 180 HG1 THR 27 HG1 THR 27 15.849 -0.891 0.759 181 HG21 THR 27 HG21 THR 27 15.617 -3.162 0.766 182 HG22 THR 27 HG22 THR 27 14.108 -2.940 1.642 183 HG23 THR 27 HG23 THR 27 15.383 -3.940 2.327 184 H ASP 28 H ASP 28 15.769 0.830 4.633 185 HA ASP 28 HA ASP 28 17.968 0.150 6.448 186 HB2 ASP 28 HB2 ASP 28 17.572 2.751 4.858 187 HB3 ASP 28 HB3 ASP 28 18.722 2.674 6.176 188 H ASN 29 H ASN 29 14.858 1.934 6.393 189 HA ASN 29 HA ASN 29 15.033 2.816 9.186 190 HB2 ASN 29 HB2 ASN 29 13.201 3.883 6.947 191 HB3 ASN 29 HB3 ASN 29 12.918 4.284 8.628 192 HD21 ASN 29 HD21 ASN 29 14.889 4.867 5.806 193 HD22 ASN 29 HD22 ASN 29 15.756 6.232 6.415 194 HA PRO 30 HA PRO 30 11.987 -0.673 10.410 195 HB2 PRO 30 HB2 PRO 30 12.090 0.002 13.195 196 HB3 PRO 30 HB3 PRO 30 12.862 -1.345 12.383 197 HG2 PRO 30 HG2 PRO 30 14.247 0.811 13.537 198 HG3 PRO 30 HG3 PRO 30 14.923 -0.364 12.406 199 HD2 PRO 30 HD2 PRO 30 14.102 2.465 11.902 200 HD3 PRO 30 HD3 PRO 30 15.274 1.442 11.072 201 H HIS 31 H HIS 31 9.841 -1.035 10.878 202 HA HIS 31 HA HIS 31 8.095 1.147 11.678 203 HB2 HIS 31 HB2 HIS 31 7.212 0.083 9.613 204 HB3 HIS 31 HB3 HIS 31 7.485 -1.529 10.229 205 HD1 HIS 31 HD1 HIS 31 5.120 1.381 11.294 206 HD2 HIS 31 HD2 HIS 31 5.026 -2.741 10.746 207 HE1 HIS 31 HE1 HIS 31 2.804 0.661 11.948 208 HE2 HIS 31 HE2 HIS 31 2.742 -1.812 11.491 209 H ILE 32 H ILE 32 8.618 -2.343 12.759 210 HA ILE 32 HA ILE 32 7.196 -1.850 15.259 211 HB ILE 32 HB ILE 32 5.816 -3.044 13.429 212 HG12 ILE 32 HG12 ILE 32 5.123 -5.155 14.986 213 HG13 ILE 32 HG13 ILE 32 6.135 -4.149 16.053 214 HG21 ILE 32 HG21 ILE 32 5.885 -5.427 12.897 215 HG22 ILE 32 HG22 ILE 32 7.477 -5.542 13.656 216 HG23 ILE 32 HG23 ILE 32 7.242 -4.500 12.248 217 HD11 ILE 32 HD11 ILE 32 3.655 -3.120 14.637 218 HD12 ILE 32 HD12 ILE 32 4.634 -2.267 15.831 219 HD13 ILE 32 HD13 ILE 32 3.640 -3.648 16.338 220 H GLY 33 H GLY 33 10.134 -2.280 14.287 221 HA2 GLY 33 HA2 GLY 33 12.138 -2.625 15.614 222 HA3 GLY 33 HA3 GLY 33 11.357 -3.991 16.439 223 H ASP 34 H ASP 34 12.410 -2.812 13.208 224 HA ASP 34 HA ASP 34 13.270 -3.479 11.382 225 HB2 ASP 34 HB2 ASP 34 14.836 -5.400 13.103 226 HB3 ASP 34 HB3 ASP 34 15.113 -5.464 11.355 227 H ASP 35 H ASP 35 11.432 -3.648 10.494 228 HA ASP 35 HA ASP 35 10.447 -6.276 9.515 229 HB2 ASP 35 HB2 ASP 35 8.860 -4.614 10.807 230 HB3 ASP 35 HB3 ASP 35 8.896 -3.608 9.386 231 HA PRO 36 HA PRO 36 12.256 -5.159 5.209 232 HB2 PRO 36 HB2 PRO 36 11.468 -7.832 4.206 233 HB3 PRO 36 HB3 PRO 36 13.082 -7.157 4.414 234 HG2 PRO 36 HG2 PRO 36 12.170 -9.158 5.983 235 HG3 PRO 36 HG3 PRO 36 13.246 -7.901 6.617 236 HD2 PRO 36 HD2 PRO 36 10.248 -8.115 6.851 237 HD3 PRO 36 HD3 PRO 36 11.442 -7.792 8.130 238 H SER 37 H SER 37 8.827 -6.273 5.443 239 HA SER 37 HA SER 37 8.034 -5.616 2.674 240 HB2 SER 37 HB2 SER 37 6.498 -7.053 4.903 241 HB3 SER 37 HB3 SER 37 5.801 -6.715 3.324 242 HG SER 37 HG SER 37 7.944 -8.443 3.984 243 H ILE 38 H ILE 38 6.188 -4.247 2.005 244 HA ILE 38 HA ILE 38 5.650 -1.915 3.739 245 HB ILE 38 HB ILE 38 4.847 -1.859 0.749 246 HG12 ILE 38 HG12 ILE 38 7.207 -2.445 0.316 247 HG13 ILE 38 HG13 ILE 38 7.134 -0.810 -0.170 248 HG21 ILE 38 HG21 ILE 38 5.225 0.599 0.678 249 HG22 ILE 38 HG22 ILE 38 5.527 0.543 2.414 250 HG23 ILE 38 HG23 ILE 38 3.963 0.034 1.778 251 HD11 ILE 38 HD11 ILE 38 8.511 -1.965 2.302 252 HD12 ILE 38 HD12 ILE 38 8.451 -0.233 1.951 253 HD13 ILE 38 HD13 ILE 38 9.272 -1.337 0.842 254 H PHE 39 H PHE 39 3.877 -1.732 4.850 255 HA PHE 39 HA PHE 39 1.381 -3.291 4.463 256 HB2 PHE 39 HB2 PHE 39 2.710 -4.538 6.068 257 HB3 PHE 39 HB3 PHE 39 3.321 -3.108 6.838 258 HD1 PHE 39 HD1 PHE 39 0.002 -5.054 6.610 259 HD2 PHE 39 HD2 PHE 39 2.754 -2.904 9.076 260 HE1 PHE 39 HE1 PHE 39 -1.316 -5.642 8.613 261 HE2 PHE 39 HE2 PHE 39 1.446 -3.483 11.066 262 HZ PHE 39 HZ PHE 39 -0.606 -4.853 10.838 263 H ILE 40 H ILE 40 -0.738 -2.322 5.204 264 HA ILE 40 HA ILE 40 -0.813 0.543 5.656 265 HB ILE 40 HB ILE 40 -3.400 -1.041 5.777 266 HG12 ILE 40 HG12 ILE 40 -2.508 -2.211 3.718 267 HG13 ILE 40 HG13 ILE 40 -3.877 -1.237 3.275 268 HG21 ILE 40 HG21 ILE 40 -4.525 0.741 4.545 269 HG22 ILE 40 HG22 ILE 40 -3.018 1.667 4.499 270 HG23 ILE 40 HG23 ILE 40 -3.776 1.282 6.051 271 HD11 ILE 40 HD11 ILE 40 -2.198 -1.108 1.504 272 HD12 ILE 40 HD12 ILE 40 -0.974 -0.677 2.781 273 HD13 ILE 40 HD13 ILE 40 -2.260 0.444 2.436 274 H THR 41 H THR 41 -1.714 1.573 7.301 275 HA THR 41 HA THR 41 -2.492 0.472 9.856 276 HB THR 41 HB THR 41 -0.738 2.009 11.236 277 HG1 THR 41 HG1 THR 41 1.339 2.022 10.320 278 HG21 THR 41 HG21 THR 41 -0.900 -0.430 11.588 279 HG22 THR 41 HG22 THR 41 0.790 0.105 11.577 280 HG23 THR 41 HG23 THR 41 0.123 -0.685 10.162 281 H LYS 42 H LYS 42 -2.306 3.419 7.774 282 HA LYS 42 HA LYS 42 -4.334 4.596 9.474 283 HB2 LYS 42 HB2 LYS 42 -2.300 5.986 9.804 284 HB3 LYS 42 HB3 LYS 42 -2.006 6.057 8.114 285 HG2 LYS 42 HG2 LYS 42 -2.597 8.303 9.130 286 HG3 LYS 42 HG3 LYS 42 -3.655 7.855 7.812 287 HD2 LYS 42 HD2 LYS 42 -5.402 7.430 9.217 288 HD3 LYS 42 HD3 LYS 42 -4.429 7.464 10.716 289 HE2 LYS 42 HE2 LYS 42 -3.957 9.831 10.226 290 HE3 LYS 42 HE3 LYS 42 -5.035 9.755 8.829 291 HZ1 LYS 42 HZ1 LYS 42 -5.831 9.368 11.678 292 HZ2 LYS 42 HZ2 LYS 42 -6.876 9.240 10.355 293 HZ3 LYS 42 HZ3 LYS 42 -6.179 10.732 10.739 294 H ILE 43 H ILE 43 -6.234 4.972 8.753 295 HA ILE 43 HA ILE 43 -6.776 5.424 5.954 296 HB ILE 43 HB ILE 43 -8.481 3.609 7.828 297 HG12 ILE 43 HG12 ILE 43 -6.822 2.085 6.836 298 HG13 ILE 43 HG13 ILE 43 -8.304 1.678 6.118 299 HG21 ILE 43 HG21 ILE 43 -10.272 3.091 6.135 300 HG22 ILE 43 HG22 ILE 43 -9.630 4.447 5.185 301 HG23 ILE 43 HG23 ILE 43 -10.262 4.743 6.805 302 HD11 ILE 43 HD11 ILE 43 -6.052 3.249 4.753 303 HD12 ILE 43 HD12 ILE 43 -7.558 2.877 3.935 304 HD13 ILE 43 HD13 ILE 43 -6.461 1.570 4.439 305 H ILE 44 H ILE 44 -7.642 7.437 5.595 306 HA ILE 44 HA ILE 44 -8.842 9.117 7.615 307 HB ILE 44 HB ILE 44 -8.260 9.694 4.584 308 HG12 ILE 44 HG12 ILE 44 -6.767 11.636 5.471 309 HG13 ILE 44 HG13 ILE 44 -6.864 10.820 7.036 310 HG21 ILE 44 HG21 ILE 44 -8.732 12.089 4.705 311 HG22 ILE 44 HG22 ILE 44 -9.471 11.852 6.305 312 HG23 ILE 44 HG23 ILE 44 -10.169 11.066 4.874 313 HD11 ILE 44 HD11 ILE 44 -5.813 9.741 4.466 314 HD12 ILE 44 HD12 ILE 44 -5.835 8.908 6.024 315 HD13 ILE 44 HD13 ILE 44 -4.776 10.346 5.803 316 HA PRO 45 HA PRO 45 -13.352 7.826 7.269 317 HB2 PRO 45 HB2 PRO 45 -14.147 10.392 8.596 318 HB3 PRO 45 HB3 PRO 45 -14.404 8.734 9.143 319 HG2 PRO 45 HG2 PRO 45 -12.616 10.298 10.370 320 HG3 PRO 45 HG3 PRO 45 -12.265 8.582 10.093 321 HD2 PRO 45 HD2 PRO 45 -11.310 10.972 8.496 322 HD3 PRO 45 HD3 PRO 45 -10.352 9.615 9.096 323 H GLY 46 H GLY 46 -12.460 10.982 5.837 324 HA2 GLY 46 HA2 GLY 46 -14.686 10.872 3.877 325 HA3 GLY 46 HA3 GLY 46 -14.222 12.395 4.611 326 H GLY 47 H GLY 47 -11.994 9.769 3.314 327 HA2 GLY 47 HA2 GLY 47 -10.836 11.538 1.257 328 HA3 GLY 47 HA3 GLY 47 -10.160 10.032 1.837 329 H ALA 48 H ALA 48 -9.843 10.093 -0.692 330 HA ALA 48 HA ALA 48 -12.018 9.336 -2.437 331 HB1 ALA 48 HB1 ALA 48 -10.427 9.568 -4.283 332 HB2 ALA 48 HB2 ALA 48 -9.073 9.620 -3.156 333 HB3 ALA 48 HB3 ALA 48 -10.245 10.936 -3.183 334 H ALA 49 H ALA 49 -9.224 7.483 -1.009 335 HA ALA 49 HA ALA 49 -9.662 5.012 -2.489 336 HB1 ALA 49 HB1 ALA 49 -7.789 5.459 -0.153 337 HB2 ALA 49 HB2 ALA 49 -7.398 5.747 -1.855 338 HB3 ALA 49 HB3 ALA 49 -7.757 4.112 -1.298 339 H ALA 50 H ALA 50 -10.881 6.187 0.624 340 HA ALA 50 HA ALA 50 -11.774 3.652 1.756 341 HB1 ALA 50 HB1 ALA 50 -12.274 6.481 2.824 342 HB2 ALA 50 HB2 ALA 50 -10.897 5.483 3.257 343 HB3 ALA 50 HB3 ALA 50 -12.520 4.984 3.721 344 H GLN 51 H GLN 51 -13.471 6.577 0.272 345 HA GLN 51 HA GLN 51 -16.100 5.349 0.268 346 HB2 GLN 51 HB2 GLN 51 -15.300 8.161 -0.635 347 HB3 GLN 51 HB3 GLN 51 -16.953 7.588 -0.620 348 HG2 GLN 51 HG2 GLN 51 -16.560 7.265 1.950 349 HG3 GLN 51 HG3 GLN 51 -15.148 8.229 1.711 350 HE21 GLN 51 HE21 GLN 51 -15.272 10.478 1.394 351 HE22 GLN 51 HE22 GLN 51 -16.735 11.380 1.573 352 H ASP 52 H ASP 52 -13.945 6.708 -2.527 353 HA ASP 52 HA ASP 52 -15.740 5.639 -4.536 354 HB2 ASP 52 HB2 ASP 52 -13.579 7.730 -4.569 355 HB3 ASP 52 HB3 ASP 52 -14.067 7.003 -6.077 356 H GLY 53 H GLY 53 -12.397 4.787 -3.447 357 HA2 GLY 53 HA2 GLY 53 -11.567 3.331 -5.869 358 HA3 GLY 53 HA3 GLY 53 -10.615 3.572 -4.431 359 H ARG 54 H ARG 54 -12.179 2.289 -2.443 360 HA ARG 54 HA ARG 54 -12.784 0.590 -1.365 361 HB2 ARG 54 HB2 ARG 54 -13.453 -0.786 -3.936 362 HB3 ARG 54 HB3 ARG 54 -13.467 -1.790 -2.494 363 HG2 ARG 54 HG2 ARG 54 -15.202 -0.203 -1.535 364 HG3 ARG 54 HG3 ARG 54 -15.211 0.643 -3.084 365 HD2 ARG 54 HD2 ARG 54 -15.977 -1.391 -4.203 366 HD3 ARG 54 HD3 ARG 54 -15.925 -2.268 -2.673 367 HE ARG 54 HE ARG 54 -17.600 0.008 -2.404 368 HH11 ARG 54 HH11 ARG 54 -18.032 -3.275 -3.936 369 HH12 ARG 54 HH12 ARG 54 -19.755 -3.207 -3.774 370 HH21 ARG 54 HH21 ARG 54 -19.842 -0.049 -2.257 371 HH22 ARG 54 HH22 ARG 54 -20.758 -1.400 -2.835 372 H LEU 55 H LEU 55 -10.520 1.162 -0.872 373 HA LEU 55 HA LEU 55 -9.065 -1.281 -0.212 374 HB2 LEU 55 HB2 LEU 55 -7.687 0.222 -1.449 375 HB3 LEU 55 HB3 LEU 55 -8.188 1.642 -0.566 376 HG LEU 55 HG LEU 55 -6.680 0.132 1.307 377 HD11 LEU 55 HD11 LEU 55 -5.886 -1.392 -0.414 378 HD12 LEU 55 HD12 LEU 55 -4.586 -0.361 0.207 379 HD13 LEU 55 HD13 LEU 55 -5.313 -0.012 -1.356 380 HD21 LEU 55 HD21 LEU 55 -5.776 2.263 -0.561 381 HD22 LEU 55 HD22 LEU 55 -5.189 1.986 1.108 382 HD23 LEU 55 HD23 LEU 55 -6.872 2.487 0.774 383 H ARG 56 H ARG 56 -9.034 -2.039 1.741 384 HA ARG 56 HA ARG 56 -9.618 -0.486 4.181 385 HB2 ARG 56 HB2 ARG 56 -10.129 -3.501 3.651 386 HB3 ARG 56 HB3 ARG 56 -10.044 -2.913 5.283 387 HG2 ARG 56 HG2 ARG 56 -11.992 -1.504 4.841 388 HG3 ARG 56 HG3 ARG 56 -12.071 -2.180 3.201 389 HD2 ARG 56 HD2 ARG 56 -12.167 -4.377 4.079 390 HD3 ARG 56 HD3 ARG 56 -11.967 -3.724 5.704 391 HE ARG 56 HE ARG 56 -14.287 -2.527 4.636 392 HH11 ARG 56 HH11 ARG 56 -13.715 -5.988 5.631 393 HH12 ARG 56 HH12 ARG 56 -15.398 -6.264 5.930 394 HH21 ARG 56 HH21 ARG 56 -16.440 -3.029 5.065 395 HH22 ARG 56 HH22 ARG 56 -16.914 -4.603 5.609 396 H VAL 57 H VAL 57 -8.300 -0.901 6.158 397 HA VAL 57 HA VAL 57 -5.457 -0.818 5.964 398 HB VAL 57 HB VAL 57 -7.291 -0.034 7.605 399 HG11 VAL 57 HG11 VAL 57 -7.116 -2.455 8.971 400 HG12 VAL 57 HG12 VAL 57 -8.338 -1.118 8.800 401 HG13 VAL 57 HG13 VAL 57 -6.975 -0.954 9.956 402 HG21 VAL 57 HG21 VAL 57 -5.578 1.086 7.772 403 HG22 VAL 57 HG22 VAL 57 -4.485 -0.233 8.271 404 HG23 VAL 57 HG23 VAL 57 -5.620 0.509 9.455 405 H ASN 58 H ASN 58 -7.375 -3.620 6.288 406 HA ASN 58 HA ASN 58 -5.248 -5.434 6.862 407 HB2 ASN 58 HB2 ASN 58 -7.044 -7.101 7.570 408 HB3 ASN 58 HB3 ASN 58 -7.256 -5.476 8.222 409 HD21 ASN 58 HD21 ASN 58 -9.391 -6.062 8.825 410 HD22 ASN 58 HD22 ASN 58 -10.700 -6.069 7.697 411 H ASP 59 H ASP 59 -5.868 -3.993 3.913 412 HA ASP 59 HA ASP 59 -6.096 -6.350 2.189 413 HB2 ASP 59 HB2 ASP 59 -6.329 -3.407 1.628 414 HB3 ASP 59 HB3 ASP 59 -5.826 -4.424 0.293 415 H SER 60 H SER 60 -3.371 -4.144 3.102 416 HA SER 60 HA SER 60 -1.171 -3.928 2.612 417 HB2 SER 60 HB2 SER 60 -1.264 -6.943 3.041 418 HB3 SER 60 HB3 SER 60 0.239 -6.024 3.071 419 HG SER 60 HG SER 60 -0.219 -5.456 5.052 420 H ILE 61 H ILE 61 0.128 -3.286 1.023 421 HA ILE 61 HA ILE 61 -0.292 -4.336 -1.692 422 HB ILE 61 HB ILE 61 1.554 -1.833 -1.178 423 HG12 ILE 61 HG12 ILE 61 -1.402 -1.365 -1.960 424 HG13 ILE 61 HG13 ILE 61 -1.029 -1.601 -0.269 425 HG21 ILE 61 HG21 ILE 61 -0.082 -2.570 -3.680 426 HG22 ILE 61 HG22 ILE 61 1.644 -2.796 -3.505 427 HG23 ILE 61 HG23 ILE 61 0.981 -1.162 -3.545 428 HD11 ILE 61 HD11 ILE 61 -1.315 0.796 -0.805 429 HD12 ILE 61 HD12 ILE 61 -0.037 0.699 -2.014 430 HD13 ILE 61 HD13 ILE 61 0.357 0.492 -0.305 431 H LEU 62 H LEU 62 0.982 -5.751 -2.895 432 HA LEU 62 HA LEU 62 3.772 -6.307 -2.093 433 HB2 LEU 62 HB2 LEU 62 3.708 -8.278 -3.545 434 HB3 LEU 62 HB3 LEU 62 2.464 -8.419 -2.289 435 HG LEU 62 HG LEU 62 1.699 -7.717 -5.152 436 HD11 LEU 62 HD11 LEU 62 1.291 -10.071 -5.498 437 HD12 LEU 62 HD12 LEU 62 2.057 -10.420 -3.934 438 HD13 LEU 62 HD13 LEU 62 3.006 -9.707 -5.258 439 HD21 LEU 62 HD21 LEU 62 0.235 -9.169 -2.941 440 HD22 LEU 62 HD22 LEU 62 -0.408 -8.781 -4.537 441 HD23 LEU 62 HD23 LEU 62 -0.028 -7.487 -3.402 442 H PHE 63 H PHE 63 1.946 -5.105 -4.886 443 HA PHE 63 HA PHE 63 4.495 -4.038 -6.003 444 HB2 PHE 63 HB2 PHE 63 2.520 -5.679 -7.678 445 HB3 PHE 63 HB3 PHE 63 3.725 -4.611 -8.449 446 HD1 PHE 63 HD1 PHE 63 3.367 -7.683 -6.335 447 HD2 PHE 63 HD2 PHE 63 5.958 -5.354 -8.714 448 HE1 PHE 63 HE1 PHE 63 4.947 -9.512 -6.278 449 HE2 PHE 63 HE2 PHE 63 7.638 -7.026 -8.640 450 HZ PHE 63 HZ PHE 63 7.191 -9.241 -7.444 451 H VAL 64 H VAL 64 4.565 -1.887 -6.777 452 HA VAL 64 HA VAL 64 2.092 -0.674 -7.526 453 HB VAL 64 HB VAL 64 2.860 1.566 -6.942 454 HG11 VAL 64 HG11 VAL 64 1.001 0.849 -5.848 455 HG12 VAL 64 HG12 VAL 64 1.948 1.642 -4.579 456 HG13 VAL 64 HG13 VAL 64 1.908 -0.129 -4.692 457 HG21 VAL 64 HG21 VAL 64 5.108 1.594 -6.159 458 HG22 VAL 64 HG22 VAL 64 4.789 0.400 -4.888 459 HG23 VAL 64 HG23 VAL 64 4.158 2.048 -4.752 460 H ASN 65 H ASN 65 1.732 0.652 -9.111 461 HA ASN 65 HA ASN 65 1.809 1.495 -10.958 462 HB2 ASN 65 HB2 ASN 65 4.589 2.159 -10.186 463 HB3 ASN 65 HB3 ASN 65 4.725 2.118 -11.822 464 HD21 ASN 65 HD21 ASN 65 3.343 3.735 -13.072 465 HD22 ASN 65 HD22 ASN 65 2.819 5.188 -12.299 466 H GLU 66 H GLU 66 4.939 -0.232 -11.500 467 HA GLU 66 HA GLU 66 4.058 -2.733 -12.672 468 HB2 GLU 66 HB2 GLU 66 5.921 -0.819 -14.268 469 HB3 GLU 66 HB3 GLU 66 5.982 -2.544 -14.537 470 HG2 GLU 66 HG2 GLU 66 3.631 -2.486 -15.357 471 HG3 GLU 66 HG3 GLU 66 3.574 -0.755 -15.064 472 H VAL 67 H VAL 67 5.681 -1.242 -10.179 473 HA VAL 67 HA VAL 67 8.218 -2.581 -10.238 474 HB VAL 67 HB VAL 67 9.196 -0.953 -8.782 475 HG11 VAL 67 HG11 VAL 67 9.449 1.004 -10.098 476 HG12 VAL 67 HG12 VAL 67 7.939 0.532 -10.943 477 HG13 VAL 67 HG13 VAL 67 9.380 -0.572 -10.965 478 HG21 VAL 67 HG21 VAL 67 6.701 0.811 -8.695 479 HG22 VAL 67 HG22 VAL 67 8.292 1.237 -7.953 480 HG23 VAL 67 HG23 VAL 67 7.391 -0.172 -7.356 481 H ASP 68 H ASP 68 9.345 -3.092 -8.328 482 HA ASP 68 HA ASP 68 7.749 -4.753 -6.812 483 HB2 ASP 68 HB2 ASP 68 9.903 -6.095 -6.078 484 HB3 ASP 68 HB3 ASP 68 9.440 -6.177 -7.758 485 H VAL 69 H VAL 69 6.790 -3.863 -5.141 486 HA VAL 69 HA VAL 69 8.426 -2.793 -3.008 487 HB VAL 69 HB VAL 69 6.366 -1.920 -1.734 488 HG11 VAL 69 HG11 VAL 69 7.468 -0.622 -4.061 489 HG12 VAL 69 HG12 VAL 69 7.453 -0.331 -2.238 490 HG13 VAL 69 HG13 VAL 69 6.065 0.106 -3.231 491 HG21 VAL 69 HG21 VAL 69 4.386 -1.180 -3.014 492 HG22 VAL 69 HG22 VAL 69 4.538 -2.911 -2.703 493 HG23 VAL 69 HG23 VAL 69 4.898 -2.273 -4.339 494 H ARG 70 H ARG 70 8.580 -5.288 -3.455 495 HA ARG 70 HA ARG 70 7.953 -6.842 -1.045 496 HB2 ARG 70 HB2 ARG 70 9.667 -7.541 -3.473 497 HB3 ARG 70 HB3 ARG 70 9.721 -8.551 -2.048 498 HG2 ARG 70 HG2 ARG 70 7.279 -9.002 -2.327 499 HG3 ARG 70 HG3 ARG 70 7.297 -8.024 -3.796 500 HD2 ARG 70 HD2 ARG 70 8.912 -9.557 -4.809 501 HD3 ARG 70 HD3 ARG 70 8.944 -10.518 -3.331 502 HE ARG 70 HE ARG 70 6.277 -10.327 -4.295 503 HH11 ARG 70 HH11 ARG 70 9.183 -12.313 -5.248 504 HH12 ARG 70 HH12 ARG 70 8.204 -13.548 -5.966 505 HH21 ARG 70 HH21 ARG 70 5.133 -12.008 -5.262 506 HH22 ARG 70 HH22 ARG 70 5.940 -13.368 -5.969 507 H GLU 71 H GLU 71 11.002 -4.779 -2.052 508 HA GLU 71 HA GLU 71 11.852 -4.543 0.437 509 HB2 GLU 71 HB2 GLU 71 14.100 -5.348 0.219 510 HB3 GLU 71 HB3 GLU 71 12.949 -6.712 0.268 511 HG2 GLU 71 HG2 GLU 71 14.625 -5.778 -2.140 512 HG3 GLU 71 HG3 GLU 71 15.098 -7.114 -1.126 513 H VAL 72 H VAL 72 11.560 -2.451 0.209 514 HA VAL 72 HA VAL 72 13.605 -0.875 -1.109 515 HB VAL 72 HB VAL 72 12.210 0.828 -2.178 516 HG11 VAL 72 HG11 VAL 72 11.001 -0.061 -4.037 517 HG12 VAL 72 HG12 VAL 72 11.180 -1.659 -3.320 518 HG13 VAL 72 HG13 VAL 72 12.620 -0.722 -3.761 519 HG21 VAL 72 HG21 VAL 72 10.266 1.158 -0.787 520 HG22 VAL 72 HG22 VAL 72 9.592 -0.406 -1.250 521 HG23 VAL 72 HG23 VAL 72 9.680 0.911 -2.438 522 H THR 73 H THR 73 13.705 1.495 -0.282 523 HA THR 73 HA THR 73 13.179 1.823 2.578 524 HB THR 73 HB THR 73 13.945 4.352 2.044 525 HG1 THR 73 HG1 THR 73 14.678 4.806 0.183 526 HG21 THR 73 HG21 THR 73 15.261 2.931 3.432 527 HG22 THR 73 HG22 THR 73 16.308 3.822 2.326 528 HG23 THR 73 HG23 THR 73 15.962 2.105 2.025 529 H HIS 74 H HIS 74 11.966 3.632 3.594 530 HA HIS 74 HA HIS 74 9.206 3.938 3.102 531 HB2 HIS 74 HB2 HIS 74 10.524 4.415 5.299 532 HB3 HIS 74 HB3 HIS 74 10.950 5.973 4.652 533 HD1 HIS 74 HD1 HIS 74 9.421 7.890 5.393 534 HD2 HIS 74 HD2 HIS 74 7.602 4.186 6.016 535 HE1 HIS 74 HE1 HIS 74 7.377 8.359 6.811 536 HE2 HIS 74 HE2 HIS 74 6.339 6.100 7.219 537 H SER 75 H SER 75 11.670 6.555 2.292 538 HA SER 75 HA SER 75 10.041 8.384 0.813 539 HB2 SER 75 HB2 SER 75 13.093 8.093 0.822 540 HB3 SER 75 HB3 SER 75 12.243 9.413 0.021 541 HG SER 75 HG SER 75 11.631 10.212 1.969 542 H ALA 76 H ALA 76 11.918 5.533 -0.352 543 HA ALA 76 HA ALA 76 11.613 5.757 -3.201 544 HB1 ALA 76 HB1 ALA 76 12.504 3.463 -3.260 545 HB2 ALA 76 HB2 ALA 76 12.196 3.326 -1.520 546 HB3 ALA 76 HB3 ALA 76 13.415 4.456 -2.101 547 H ALA 77 H ALA 77 9.345 4.510 -0.669 548 HA ALA 77 HA ALA 77 7.505 3.128 -2.498 549 HB1 ALA 77 HB1 ALA 77 7.326 3.549 0.495 550 HB2 ALA 77 HB2 ALA 77 8.028 2.125 -0.286 551 HB3 ALA 77 HB3 ALA 77 6.291 2.463 -0.450 552 H VAL 78 H VAL 78 7.669 6.210 -0.677 553 HA VAL 78 HA VAL 78 5.001 7.315 -1.400 554 HB VAL 78 HB VAL 78 7.454 8.737 -0.012 555 HG11 VAL 78 HG11 VAL 78 5.885 10.490 -0.976 556 HG12 VAL 78 HG12 VAL 78 6.000 10.536 0.793 557 HG13 VAL 78 HG13 VAL 78 4.593 9.792 0.029 558 HG21 VAL 78 HG21 VAL 78 6.200 8.642 2.055 559 HG22 VAL 78 HG22 VAL 78 6.416 7.008 1.347 560 HG23 VAL 78 HG23 VAL 78 4.868 7.887 1.167 561 H GLU 79 H GLU 79 8.318 7.820 -2.776 562 HA GLU 79 HA GLU 79 7.851 9.791 -4.807 563 HB2 GLU 79 HB2 GLU 79 10.068 7.812 -4.469 564 HB3 GLU 79 HB3 GLU 79 10.055 8.824 -5.898 565 HG2 GLU 79 HG2 GLU 79 10.018 10.850 -4.367 566 HG3 GLU 79 HG3 GLU 79 10.201 9.701 -3.040 567 H ALA 80 H ALA 80 7.316 6.292 -5.033 568 HA ALA 80 HA ALA 80 6.718 6.058 -7.857 569 HB1 ALA 80 HB1 ALA 80 7.338 4.118 -6.448 570 HB2 ALA 80 HB2 ALA 80 5.756 3.852 -7.190 571 HB3 ALA 80 HB3 ALA 80 5.876 4.338 -5.494 572 H LEU 81 H LEU 81 4.825 7.199 -4.973 573 HA LEU 81 HA LEU 81 2.275 7.340 -6.340 574 HB2 LEU 81 HB2 LEU 81 2.773 7.809 -3.396 575 HB3 LEU 81 HB3 LEU 81 1.204 7.585 -4.123 576 HG LEU 81 HG LEU 81 3.286 5.514 -3.344 577 HD11 LEU 81 HD11 LEU 81 1.823 6.002 -1.698 578 HD12 LEU 81 HD12 LEU 81 1.550 4.350 -2.293 579 HD13 LEU 81 HD13 LEU 81 0.428 5.659 -2.742 580 HD21 LEU 81 HD21 LEU 81 2.782 4.758 -5.502 581 HD22 LEU 81 HD22 LEU 81 1.023 4.822 -5.264 582 HD23 LEU 81 HD23 LEU 81 2.012 3.610 -4.393 583 H LYS 82 H LYS 82 4.715 9.549 -5.228 584 HA LYS 82 HA LYS 82 3.200 12.026 -5.751 585 HB2 LYS 82 HB2 LYS 82 6.119 11.745 -4.857 586 HB3 LYS 82 HB3 LYS 82 5.370 13.291 -5.124 587 HG2 LYS 82 HG2 LYS 82 3.723 12.573 -3.183 588 HG3 LYS 82 HG3 LYS 82 4.872 11.308 -2.854 589 HD2 LYS 82 HD2 LYS 82 5.546 14.319 -2.718 590 HD3 LYS 82 HD3 LYS 82 5.052 13.329 -1.358 591 HE2 LYS 82 HE2 LYS 82 7.168 12.043 -1.493 592 HE3 LYS 82 HE3 LYS 82 7.654 12.960 -2.918 593 HZ1 LYS 82 HZ1 LYS 82 8.721 13.796 -0.917 594 HZ2 LYS 82 HZ2 LYS 82 7.217 14.075 -0.196 595 HZ3 LYS 82 HZ3 LYS 82 7.679 14.966 -1.558 596 H GLU 83 H GLU 83 5.834 10.220 -7.410 597 HA GLU 83 HA GLU 83 6.138 12.254 -9.556 598 HB2 GLU 83 HB2 GLU 83 7.704 9.905 -8.911 599 HB3 GLU 83 HB3 GLU 83 8.023 10.658 -10.474 600 HG2 GLU 83 HG2 GLU 83 8.176 12.764 -9.303 601 HG3 GLU 83 HG3 GLU 83 8.186 11.898 -7.778 602 H ALA 84 H ALA 84 4.293 9.419 -9.563 603 HA ALA 84 HA ALA 84 4.395 8.487 -12.287 604 HB1 ALA 84 HB1 ALA 84 3.252 7.220 -10.428 605 HB2 ALA 84 HB2 ALA 84 2.372 7.200 -11.952 606 HB3 ALA 84 HB3 ALA 84 1.836 8.247 -10.657 607 H GLY 85 H GLY 85 2.716 11.339 -11.244 608 HA2 GLY 85 HA2 GLY 85 2.921 13.242 -12.953 609 HA3 GLY 85 HA3 GLY 85 2.240 12.036 -14.031 610 H SER 86 H SER 86 -0.026 11.200 -12.537 611 HA SER 86 HA SER 86 -1.937 13.162 -11.788 612 HB2 SER 86 HB2 SER 86 -1.671 13.886 -14.134 613 HB3 SER 86 HB3 SER 86 -2.250 12.341 -14.751 614 HG SER 86 HG SER 86 -3.816 14.346 -14.499 615 H ILE 87 H ILE 87 -1.259 9.915 -13.110 616 HA ILE 87 HA ILE 87 -3.453 8.728 -11.550 617 HB ILE 87 HB ILE 87 -2.716 7.613 -14.368 618 HG12 ILE 87 HG12 ILE 87 -4.078 9.647 -14.775 619 HG13 ILE 87 HG13 ILE 87 -4.988 8.272 -15.358 620 HG21 ILE 87 HG21 ILE 87 -3.332 5.696 -13.121 621 HG22 ILE 87 HG22 ILE 87 -4.594 5.941 -14.356 622 HG23 ILE 87 HG23 ILE 87 -4.879 6.408 -12.662 623 HD11 ILE 87 HD11 ILE 87 -6.553 8.589 -13.371 624 HD12 ILE 87 HD12 ILE 87 -6.481 10.045 -14.359 625 HD13 ILE 87 HD13 ILE 87 -5.600 9.962 -12.840 626 H VAL 88 H VAL 88 -3.056 7.186 -10.293 627 HA VAL 88 HA VAL 88 -0.533 5.743 -10.178 628 HB VAL 88 HB VAL 88 -0.346 5.788 -7.668 629 HG11 VAL 88 HG11 VAL 88 1.172 7.230 -8.788 630 HG12 VAL 88 HG12 VAL 88 0.636 8.073 -7.352 631 HG13 VAL 88 HG13 VAL 88 -0.021 8.504 -8.926 632 HG21 VAL 88 HG21 VAL 88 -1.334 7.594 -6.202 633 HG22 VAL 88 HG22 VAL 88 -2.566 6.496 -6.823 634 HG23 VAL 88 HG23 VAL 88 -2.368 8.098 -7.551 635 H ARG 89 H ARG 89 -0.469 3.686 -10.007 636 HA ARG 89 HA ARG 89 -2.841 2.176 -9.208 637 HB2 ARG 89 HB2 ARG 89 -2.229 0.228 -10.960 638 HB3 ARG 89 HB3 ARG 89 -2.925 1.672 -11.598 639 HG2 ARG 89 HG2 ARG 89 -0.698 2.315 -12.432 640 HG3 ARG 89 HG3 ARG 89 -0.052 0.799 -11.771 641 HD2 ARG 89 HD2 ARG 89 -1.680 -0.440 -12.992 642 HD3 ARG 89 HD3 ARG 89 -2.351 1.046 -13.646 643 HE ARG 89 HE ARG 89 0.402 0.959 -14.338 644 HH11 ARG 89 HH11 ARG 89 -2.484 -0.865 -15.626 645 HH12 ARG 89 HH12 ARG 89 -1.713 -1.167 -17.146 646 HH21 ARG 89 HH21 ARG 89 1.275 0.490 -16.362 647 HH22 ARG 89 HH22 ARG 89 0.386 -0.406 -17.548 648 H LEU 90 H LEU 90 -2.975 0.778 -7.718 649 HA LEU 90 HA LEU 90 -0.618 -0.480 -6.479 650 HB2 LEU 90 HB2 LEU 90 -2.038 -0.541 -4.293 651 HB3 LEU 90 HB3 LEU 90 -1.567 1.078 -4.793 652 HG LEU 90 HG LEU 90 -3.667 1.309 -3.820 653 HD11 LEU 90 HD11 LEU 90 -3.988 2.565 -5.480 654 HD12 LEU 90 HD12 LEU 90 -5.475 1.714 -5.040 655 HD13 LEU 90 HD13 LEU 90 -4.579 1.227 -6.496 656 HD21 LEU 90 HD21 LEU 90 -4.751 -1.188 -4.961 657 HD22 LEU 90 HD22 LEU 90 -5.396 -0.204 -3.607 658 HD23 LEU 90 HD23 LEU 90 -3.810 -1.024 -3.496 659 H TYR 91 H TYR 91 -0.433 -2.618 -6.032 660 HA TYR 91 HA TYR 91 -2.603 -4.539 -6.645 661 HB2 TYR 91 HB2 TYR 91 -0.453 -4.559 -8.304 662 HB3 TYR 91 HB3 TYR 91 0.362 -5.220 -6.969 663 HD1 TYR 91 HD1 TYR 91 -2.967 -6.275 -8.513 664 HD2 TYR 91 HD2 TYR 91 0.955 -7.420 -7.327 665 HE1 TYR 91 HE1 TYR 91 -3.524 -8.462 -9.078 666 HE2 TYR 91 HE2 TYR 91 0.485 -9.710 -7.906 667 HH TYR 91 HH TYR 91 -2.271 -10.614 -9.779 668 H VAL 92 H VAL 92 -3.457 -5.322 -5.001 669 HA VAL 92 HA VAL 92 -2.018 -5.817 -2.439 670 HB VAL 92 HB VAL 92 -4.159 -5.487 -1.123 671 HG11 VAL 92 HG11 VAL 92 -3.775 -3.139 -2.938 672 HG12 VAL 92 HG12 VAL 92 -2.908 -3.485 -1.445 673 HG13 VAL 92 HG13 VAL 92 -4.636 -3.132 -1.407 674 HG21 VAL 92 HG21 VAL 92 -5.758 -6.364 -2.605 675 HG22 VAL 92 HG22 VAL 92 -5.547 -5.135 -3.812 676 HG23 VAL 92 HG23 VAL 92 -6.361 -4.719 -2.243 677 H MET 93 H MET 93 -2.869 -7.446 -0.869 678 HA MET 93 HA MET 93 -3.635 -10.147 -1.939 679 HB2 MET 93 HB2 MET 93 -1.801 -11.430 -0.690 680 HB3 MET 93 HB3 MET 93 -1.095 -10.278 -1.785 681 HG2 MET 93 HG2 MET 93 0.325 -10.275 0.081 682 HG3 MET 93 HG3 MET 93 -0.628 -8.812 0.279 683 HE1 MET 93 HE1 MET 93 0.333 -8.783 2.831 684 HE2 MET 93 HE2 MET 93 1.169 -10.311 2.555 685 HE3 MET 93 HE3 MET 93 0.117 -10.124 3.957 686 H ARG 94 H ARG 94 -5.332 -11.108 -1.254 687 HA ARG 94 HA ARG 94 -6.397 -10.658 1.444 688 HB2 ARG 94 HB2 ARG 94 -7.959 -10.816 -1.212 689 HB3 ARG 94 HB3 ARG 94 -8.756 -11.076 0.321 690 HG2 ARG 94 HG2 ARG 94 -8.195 -8.729 0.980 691 HG3 ARG 94 HG3 ARG 94 -7.420 -8.494 -0.580 692 HD2 ARG 94 HD2 ARG 94 -9.568 -7.498 -0.797 693 HD3 ARG 94 HD3 ARG 94 -9.699 -9.039 -1.631 694 HE ARG 94 HE ARG 94 -10.617 -9.418 1.021 695 HH11 ARG 94 HH11 ARG 94 -12.044 -7.636 -1.817 696 HH12 ARG 94 HH12 ARG 94 -13.658 -7.806 -1.210 697 HH21 ARG 94 HH21 ARG 94 -12.758 -9.562 1.687 698 HH22 ARG 94 HH22 ARG 94 -14.046 -8.883 0.750 699 H ARG 95 H ARG 95 -7.569 -12.303 2.420 700 HA ARG 95 HA ARG 95 -6.673 -15.090 2.094 701 HB2 ARG 95 HB2 ARG 95 -6.668 -13.793 4.377 702 HB3 ARG 95 HB3 ARG 95 -8.401 -13.925 4.386 703 HG2 ARG 95 HG2 ARG 95 -7.680 -15.551 5.968 704 HG3 ARG 95 HG3 ARG 95 -8.005 -16.513 4.539 705 HD2 ARG 95 HD2 ARG 95 -5.566 -16.589 4.056 706 HD3 ARG 95 HD3 ARG 95 -5.255 -15.600 5.482 707 HE ARG 95 HE ARG 95 -6.702 -17.870 6.301 708 HH11 ARG 95 HH11 ARG 95 -3.257 -17.452 5.183 709 HH12 ARG 95 HH12 ARG 95 -2.726 -18.857 6.047 710 HH21 ARG 95 HH21 ARG 95 -5.871 -19.664 7.368 711 HH22 ARG 95 HH22 ARG 95 -4.195 -20.087 7.265 712 H LYS 96 H LYS 96 -7.862 -16.889 1.602 713 HA LYS 96 HA LYS 96 -10.128 -16.895 -0.042 714 HB2 LYS 96 HB2 LYS 96 -10.034 -19.513 0.064 715 HB3 LYS 96 HB3 LYS 96 -8.606 -18.721 -0.525 716 HG2 LYS 96 HG2 LYS 96 -7.446 -19.158 1.560 717 HG3 LYS 96 HG3 LYS 96 -8.899 -19.830 2.312 718 HD2 LYS 96 HD2 LYS 96 -8.863 -21.661 0.599 719 HD3 LYS 96 HD3 LYS 96 -7.391 -20.976 -0.073 720 HE2 LYS 96 HE2 LYS 96 -6.670 -22.805 1.267 721 HE3 LYS 96 HE3 LYS 96 -6.321 -21.376 2.225 722 HZ1 LYS 96 HZ1 LYS 96 -8.653 -23.212 2.616 723 HZ2 LYS 96 HZ2 LYS 96 -8.334 -21.840 3.550 724 HZ3 LYS 96 HZ3 LYS 96 -7.268 -23.151 3.591 725 HA PRO 97 HA PRO 97 -14.082 -16.840 2.423 726 HB2 PRO 97 HB2 PRO 97 -15.468 -18.184 0.127 727 HB3 PRO 97 HB3 PRO 97 -15.866 -16.673 0.948 728 HG2 PRO 97 HG2 PRO 97 -14.771 -16.591 -1.453 729 HG3 PRO 97 HG3 PRO 97 -14.204 -15.472 -0.198 730 HD2 PRO 97 HD2 PRO 97 -12.953 -18.046 -1.136 731 HD3 PRO 97 HD3 PRO 97 -12.188 -16.459 -0.904 732 HA PRO 98 HA PRO 98 -15.616 -21.780 2.779 733 HB2 PRO 98 HB2 PRO 98 -13.209 -23.375 1.948 734 HB3 PRO 98 HB3 PRO 98 -14.917 -23.675 1.615 735 HG2 PRO 98 HG2 PRO 98 -13.341 -22.805 -0.325 736 HG3 PRO 98 HG3 PRO 98 -14.970 -22.125 -0.147 737 HD2 PRO 98 HD2 PRO 98 -12.337 -20.972 0.758 738 HD3 PRO 98 HD3 PRO 98 -13.631 -20.188 -0.175 739 H ALA 99 H ALA 99 -15.794 -22.659 4.789 740 HA ALA 99 HA ALA 99 -13.570 -22.586 6.723 741 HB1 ALA 99 HB1 ALA 99 -15.194 -22.187 8.557 742 HB2 ALA 99 HB2 ALA 99 -16.542 -22.351 7.434 743 HB3 ALA 99 HB3 ALA 99 -15.439 -20.986 7.286 744 H1 VAL 1 H1 VAL 1 2.367 0.876 18.374 745 H2 VAL 1 H2 VAL 1 2.786 2.423 18.915 746 H3 VAL 1 H3 VAL 1 3.359 1.058 19.733 747 HA VAL 1 HA VAL 1 4.755 0.432 18.037 748 HB VAL 1 HB VAL 1 2.967 1.172 16.281 749 HG11 VAL 1 HG11 VAL 1 3.315 3.045 14.737 750 HG12 VAL 1 HG12 VAL 1 4.357 3.776 15.954 751 HG13 VAL 1 HG13 VAL 1 2.667 3.443 16.333 752 HG21 VAL 1 HG21 VAL 1 4.744 -0.185 15.485 753 HG22 VAL 1 HG22 VAL 1 5.870 1.138 15.446 754 HG23 VAL 1 HG23 VAL 1 4.537 1.096 14.299 755 H VAL 2 H VAL 2 6.788 0.723 18.232 756 HA VAL 2 HA VAL 2 7.708 2.989 19.860 757 HB VAL 2 HB VAL 2 7.581 0.652 20.895 758 HG11 VAL 2 HG11 VAL 2 8.348 -0.934 19.418 759 HG12 VAL 2 HG12 VAL 2 9.379 -1.034 20.844 760 HG13 VAL 2 HG13 VAL 2 9.976 -0.256 19.379 761 HG21 VAL 2 HG21 VAL 2 9.628 0.743 22.363 762 HG22 VAL 2 HG22 VAL 2 8.769 2.276 22.216 763 HG23 VAL 2 HG23 VAL 2 10.259 2.013 21.310 764 H SER 3 H SER 3 8.251 2.091 16.517 765 HA SER 3 HA SER 3 11.055 3.159 16.367 766 HB2 SER 3 HB2 SER 3 9.928 0.780 14.829 767 HB3 SER 3 HB3 SER 3 11.456 1.560 14.439 768 HG SER 3 HG SER 3 11.350 0.946 17.066 769 H GLU 4 H GLU 4 7.834 3.520 15.240 770 HA GLU 4 HA GLU 4 8.413 4.971 12.719 771 HB2 GLU 4 HB2 GLU 4 7.236 2.665 12.592 772 HB3 GLU 4 HB3 GLU 4 5.927 3.323 13.510 773 HG2 GLU 4 HG2 GLU 4 5.373 2.915 11.462 774 HG3 GLU 4 HG3 GLU 4 5.288 4.680 11.635 775 H ARG 5 H ARG 5 7.142 6.856 12.146 776 HA ARG 5 HA ARG 5 5.627 8.293 14.202 777 HB2 ARG 5 HB2 ARG 5 6.080 10.510 12.995 778 HB3 ARG 5 HB3 ARG 5 7.540 9.736 13.514 779 HG2 ARG 5 HG2 ARG 5 6.618 9.733 10.583 780 HG3 ARG 5 HG3 ARG 5 7.578 11.028 11.262 781 HD2 ARG 5 HD2 ARG 5 9.401 9.335 11.723 782 HD3 ARG 5 HD3 ARG 5 8.398 8.121 10.924 783 HE ARG 5 HE ARG 5 8.683 10.243 9.130 784 HH11 ARG 5 HH11 ARG 5 11.087 7.779 10.342 785 HH12 ARG 5 HH12 ARG 5 12.068 7.926 8.923 786 HH21 ARG 5 HH21 ARG 5 10.052 10.326 7.350 787 HH22 ARG 5 HH22 ARG 5 11.482 9.353 7.256 788 H ILE 6 H ILE 6 5.286 7.240 10.781 789 HA ILE 6 HA ILE 6 3.782 7.154 9.230 790 HB ILE 6 HB ILE 6 3.157 5.048 10.480 791 HG12 ILE 6 HG12 ILE 6 0.891 4.323 9.761 792 HG13 ILE 6 HG13 ILE 6 0.452 5.965 9.243 793 HG21 ILE 6 HG21 ILE 6 1.216 4.682 11.911 794 HG22 ILE 6 HG22 ILE 6 0.985 6.429 11.986 795 HG23 ILE 6 HG23 ILE 6 2.477 5.708 12.605 796 HD11 ILE 6 HD11 ILE 6 0.898 4.557 7.293 797 HD12 ILE 6 HD12 ILE 6 2.313 3.890 8.008 798 HD13 ILE 6 HD13 ILE 6 2.314 5.561 7.476 799 H SER 7 H SER 7 3.904 9.086 8.483 800 HA SER 7 HA SER 7 1.462 10.803 8.369 801 HB2 SER 7 HB2 SER 7 4.371 11.819 8.610 802 HB3 SER 7 HB3 SER 7 3.024 12.881 8.216 803 HG SER 7 HG SER 7 2.897 13.065 10.321 804 H SER 8 H SER 8 2.472 8.666 6.428 805 HA SER 8 HA SER 8 3.473 9.827 3.959 806 HB2 SER 8 HB2 SER 8 2.692 6.886 4.570 807 HB3 SER 8 HB3 SER 8 3.454 7.443 3.113 808 HG SER 8 HG SER 8 4.885 6.608 4.840 809 H VAL 9 H VAL 9 2.158 8.293 1.782 810 HA VAL 9 HA VAL 9 -0.529 9.552 1.502 811 HB VAL 9 HB VAL 9 1.289 9.062 -1.049 812 HG11 VAL 9 HG11 VAL 9 -0.951 11.171 -0.708 813 HG12 VAL 9 HG12 VAL 9 -1.098 9.681 -1.591 814 HG13 VAL 9 HG13 VAL 9 -0.025 10.930 -2.170 815 HG21 VAL 9 HG21 VAL 9 2.034 11.446 -1.166 816 HG22 VAL 9 HG22 VAL 9 2.661 10.656 0.284 817 HG23 VAL 9 HG23 VAL 9 1.287 11.758 0.400 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 -1.142 -31.881 -3.313 2 H2 GLY 1 H2 GLY 1 -2.191 -32.289 -2.052 3 H3 GLY 1 H3 GLY 1 -0.518 -32.395 -1.825 4 HA2 GLY 1 HA2 GLY 1 -1.369 -30.420 -0.735 5 HA3 GLY 1 HA3 GLY 1 -0.297 -30.002 -2.061 6 H ALA 2 H ALA 2 -3.523 -29.855 -0.761 7 HA ALA 2 HA ALA 2 -4.665 -28.364 -3.059 8 HB1 ALA 2 HB1 ALA 2 -6.202 -29.730 -0.803 9 HB2 ALA 2 HB2 ALA 2 -6.005 -30.374 -2.452 10 HB3 ALA 2 HB3 ALA 2 -6.886 -28.858 -2.174 11 H MET 3 H MET 3 -6.024 -26.467 -2.793 12 HA MET 3 HA MET 3 -6.686 -24.505 -2.301 13 HB2 MET 3 HB2 MET 3 -6.498 -25.180 0.668 14 HB3 MET 3 HB3 MET 3 -6.828 -23.524 0.202 15 HG2 MET 3 HG2 MET 3 -8.928 -24.396 0.595 16 HG3 MET 3 HG3 MET 3 -8.784 -24.477 -1.136 17 HE1 MET 3 HE1 MET 3 -10.994 -26.119 0.519 18 HE2 MET 3 HE2 MET 3 -10.961 -27.662 -0.334 19 HE3 MET 3 HE3 MET 3 -10.870 -26.153 -1.239 20 H GLU 4 H GLU 4 -6.302 -22.789 -2.844 21 HA GLU 4 HA GLU 4 -3.781 -21.423 -2.278 22 HB2 GLU 4 HB2 GLU 4 -3.652 -20.426 -4.660 23 HB3 GLU 4 HB3 GLU 4 -3.267 -22.120 -4.435 24 HG2 GLU 4 HG2 GLU 4 -5.461 -22.719 -5.424 25 HG3 GLU 4 HG3 GLU 4 -5.854 -21.012 -5.599 26 H MET 5 H MET 5 -3.483 -19.190 -2.277 27 HA MET 5 HA MET 5 -5.641 -17.624 -1.170 28 HB2 MET 5 HB2 MET 5 -3.895 -15.811 -0.635 29 HB3 MET 5 HB3 MET 5 -3.470 -17.381 -0.012 30 HG2 MET 5 HG2 MET 5 -1.887 -17.620 -1.947 31 HG3 MET 5 HG3 MET 5 -2.223 -15.989 -2.428 32 HE1 MET 5 HE1 MET 5 -2.008 -14.005 0.009 33 HE2 MET 5 HE2 MET 5 -0.923 -13.806 -1.368 34 HE3 MET 5 HE3 MET 5 -0.275 -13.791 0.272 35 H GLU 6 H GLU 6 -5.960 -15.167 -1.662 36 HA GLU 6 HA GLU 6 -6.559 -14.818 -4.524 37 HB2 GLU 6 HB2 GLU 6 -8.935 -13.822 -4.089 38 HB3 GLU 6 HB3 GLU 6 -8.779 -15.530 -3.788 39 HG2 GLU 6 HG2 GLU 6 -8.788 -15.059 -1.302 40 HG3 GLU 6 HG3 GLU 6 -8.947 -13.343 -1.646 41 H TYR 7 H TYR 7 -5.999 -13.143 -5.627 42 HA TYR 7 HA TYR 7 -5.058 -10.659 -4.280 43 HB2 TYR 7 HB2 TYR 7 -4.151 -11.738 -7.021 44 HB3 TYR 7 HB3 TYR 7 -3.537 -10.312 -6.257 45 HD1 TYR 7 HD1 TYR 7 -3.455 -14.060 -6.029 46 HD2 TYR 7 HD2 TYR 7 -1.772 -10.400 -4.707 47 HE1 TYR 7 HE1 TYR 7 -1.592 -15.315 -5.131 48 HE2 TYR 7 HE2 TYR 7 0.216 -11.646 -3.798 49 HH TYR 7 HH TYR 7 0.808 -14.919 -4.525 50 H GLU 8 H GLU 8 -5.451 -8.533 -5.066 51 HA GLU 8 HA GLU 8 -7.524 -8.107 -7.173 52 HB2 GLU 8 HB2 GLU 8 -8.582 -8.057 -4.727 53 HB3 GLU 8 HB3 GLU 8 -7.713 -6.568 -4.487 54 HG2 GLU 8 HG2 GLU 8 -10.013 -5.953 -4.879 55 HG3 GLU 8 HG3 GLU 8 -9.170 -5.550 -6.361 56 H GLU 9 H GLU 9 -7.233 -6.417 -8.617 57 HA GLU 9 HA GLU 9 -5.091 -4.515 -8.179 58 HB2 GLU 9 HB2 GLU 9 -4.815 -4.245 -10.736 59 HB3 GLU 9 HB3 GLU 9 -4.434 -5.829 -10.099 60 HG2 GLU 9 HG2 GLU 9 -6.555 -6.746 -11.092 61 HG3 GLU 9 HG3 GLU 9 -6.970 -5.148 -11.690 62 H ILE 10 H ILE 10 -5.543 -2.383 -7.664 63 HA ILE 10 HA ILE 10 -8.104 -1.155 -8.570 64 HB ILE 10 HB ILE 10 -6.583 -0.634 -5.887 65 HG12 ILE 10 HG12 ILE 10 -9.465 -1.572 -5.678 66 HG13 ILE 10 HG13 ILE 10 -8.295 -2.752 -6.244 67 HG21 ILE 10 HG21 ILE 10 -8.523 0.820 -5.017 68 HG22 ILE 10 HG22 ILE 10 -9.133 0.926 -6.689 69 HG23 ILE 10 HG23 ILE 10 -7.510 1.524 -6.266 70 HD11 ILE 10 HD11 ILE 10 -6.968 -2.171 -4.130 71 HD12 ILE 10 HD12 ILE 10 -8.433 -3.149 -3.907 72 HD13 ILE 10 HD13 ILE 10 -8.460 -1.406 -3.529 73 H THR 11 H THR 11 -8.193 0.895 -9.524 74 HA THR 11 HA THR 11 -5.768 2.517 -9.861 75 HB THR 11 HB THR 11 -7.382 3.619 -11.839 76 HG1 THR 11 HG1 THR 11 -7.959 1.726 -13.197 77 HG21 THR 11 HG21 THR 11 -5.241 1.515 -12.255 78 HG22 THR 11 HG22 THR 11 -5.030 3.269 -12.147 79 HG23 THR 11 HG23 THR 11 -5.876 2.571 -13.529 80 H LEU 12 H LEU 12 -5.520 4.376 -9.059 81 HA LEU 12 HA LEU 12 -7.748 6.136 -8.216 82 HB2 LEU 12 HB2 LEU 12 -5.150 5.557 -6.681 83 HB3 LEU 12 HB3 LEU 12 -6.028 7.021 -6.386 84 HG LEU 12 HG LEU 12 -7.136 4.212 -5.734 85 HD11 LEU 12 HD11 LEU 12 -5.111 4.644 -4.573 86 HD12 LEU 12 HD12 LEU 12 -6.509 4.683 -3.497 87 HD13 LEU 12 HD13 LEU 12 -5.747 6.189 -4.012 88 HD21 LEU 12 HD21 LEU 12 -8.002 6.959 -4.721 89 HD22 LEU 12 HD22 LEU 12 -8.711 5.411 -4.272 90 HD23 LEU 12 HD23 LEU 12 -8.907 6.025 -5.912 91 H GLU 13 H GLU 13 -7.547 8.407 -8.399 92 HA GLU 13 HA GLU 13 -5.438 9.539 -10.162 93 HB2 GLU 13 HB2 GLU 13 -8.135 10.859 -9.359 94 HB3 GLU 13 HB3 GLU 13 -6.946 11.566 -10.434 95 HG2 GLU 13 HG2 GLU 13 -7.463 9.880 -12.118 96 HG3 GLU 13 HG3 GLU 13 -8.537 9.073 -10.987 97 H ARG 14 H ARG 14 -3.924 10.916 -9.459 98 HA ARG 14 HA ARG 14 -3.277 11.238 -6.681 99 HB2 ARG 14 HB2 ARG 14 -1.393 10.727 -8.149 100 HB3 ARG 14 HB3 ARG 14 -1.800 11.982 -9.265 101 HG2 ARG 14 HG2 ARG 14 0.442 12.359 -8.222 102 HG3 ARG 14 HG3 ARG 14 -0.636 13.666 -7.814 103 HD2 ARG 14 HD2 ARG 14 -0.063 11.386 -5.875 104 HD3 ARG 14 HD3 ARG 14 1.014 12.771 -6.002 105 HE ARG 14 HE ARG 14 -1.794 13.407 -5.470 106 HH11 ARG 14 HH11 ARG 14 1.322 13.007 -3.645 107 HH12 ARG 14 HH12 ARG 14 0.720 13.884 -2.279 108 HH21 ARG 14 HH21 ARG 14 -2.425 14.528 -3.635 109 HH22 ARG 14 HH22 ARG 14 -1.363 14.723 -2.282 110 H GLY 15 H GLY 15 -4.294 12.388 -5.290 111 HA2 GLY 15 HA2 GLY 15 -4.865 14.180 -3.943 112 HA3 GLY 15 HA3 GLY 15 -3.866 15.175 -4.957 113 H ASN 16 H ASN 16 -7.183 13.934 -4.427 114 HA ASN 16 HA ASN 16 -8.488 16.244 -5.744 115 HB2 ASN 16 HB2 ASN 16 -9.772 13.759 -4.411 116 HB3 ASN 16 HB3 ASN 16 -10.741 15.105 -4.970 117 HD21 ASN 16 HD21 ASN 16 -11.096 15.347 -7.225 118 HD22 ASN 16 HD22 ASN 16 -10.720 14.104 -8.364 119 H SER 17 H SER 17 -8.105 14.926 -2.441 120 HA SER 17 HA SER 17 -8.259 17.583 -1.190 121 HB2 SER 17 HB2 SER 17 -8.910 16.414 1.024 122 HB3 SER 17 HB3 SER 17 -10.128 16.250 -0.228 123 HG SER 17 HG SER 17 -8.224 14.277 0.579 124 H GLY 18 H GLY 18 -6.078 14.999 -2.061 125 HA2 GLY 18 HA2 GLY 18 -3.688 15.225 -1.913 126 HA3 GLY 18 HA3 GLY 18 -3.877 15.710 -0.235 127 H LEU 19 H LEU 19 -5.549 12.998 -1.980 128 HA LEU 19 HA LEU 19 -6.236 10.997 -1.441 129 HB2 LEU 19 HB2 LEU 19 -3.268 10.540 -1.631 130 HB3 LEU 19 HB3 LEU 19 -4.187 9.133 -1.050 131 HG LEU 19 HG LEU 19 -3.818 8.651 -3.084 132 HD11 LEU 19 HD11 LEU 19 -5.854 8.366 -3.489 133 HD12 LEU 19 HD12 LEU 19 -5.234 9.108 -4.970 134 HD13 LEU 19 HD13 LEU 19 -6.208 10.064 -3.838 135 HD21 LEU 19 HD21 LEU 19 -3.099 9.952 -4.925 136 HD22 LEU 19 HD22 LEU 19 -2.249 10.141 -3.357 137 HD23 LEU 19 HD23 LEU 19 -3.336 11.428 -3.922 138 H GLY 20 H GLY 20 -7.093 9.383 -0.172 139 HA2 GLY 20 HA2 GLY 20 -7.297 10.119 2.656 140 HA3 GLY 20 HA3 GLY 20 -8.479 9.239 1.722 141 H PHE 21 H PHE 21 -4.863 8.549 2.228 142 HA PHE 21 HA PHE 21 -5.228 6.680 4.280 143 HB2 PHE 21 HB2 PHE 21 -4.447 4.552 3.216 144 HB3 PHE 21 HB3 PHE 21 -5.797 5.129 2.332 145 HD1 PHE 21 HD1 PHE 21 -5.245 6.400 -0.054 146 HD2 PHE 21 HD2 PHE 21 -2.539 3.785 1.972 147 HE1 PHE 21 HE1 PHE 21 -4.077 6.014 -2.199 148 HE2 PHE 21 HE2 PHE 21 -1.351 3.380 -0.198 149 HZ PHE 21 HZ PHE 21 -2.116 4.505 -2.256 150 H SER 22 H SER 22 -2.760 5.680 5.077 151 HA SER 22 HA SER 22 -0.440 6.938 3.826 152 HB2 SER 22 HB2 SER 22 -0.928 6.904 6.853 153 HB3 SER 22 HB3 SER 22 0.631 7.230 6.091 154 HG SER 22 HG SER 22 -0.083 9.206 5.538 155 H ILE 23 H ILE 23 1.552 5.612 3.792 156 HA ILE 23 HA ILE 23 1.162 2.802 4.634 157 HB ILE 23 HB ILE 23 2.418 1.871 2.934 158 HG12 ILE 23 HG12 ILE 23 4.083 3.424 1.849 159 HG13 ILE 23 HG13 ILE 23 3.062 2.854 0.573 160 HG21 ILE 23 HG21 ILE 23 0.091 3.261 1.959 161 HG22 ILE 23 HG22 ILE 23 0.244 1.677 2.708 162 HG23 ILE 23 HG23 ILE 23 0.806 1.923 1.018 163 HD11 ILE 23 HD11 ILE 23 2.015 5.199 0.483 164 HD12 ILE 23 HD12 ILE 23 3.724 5.165 0.170 165 HD13 ILE 23 HD13 ILE 23 3.150 5.689 1.748 166 H ALA 24 H ALA 24 2.463 1.417 5.702 167 HA ALA 24 HA ALA 24 5.016 2.536 6.675 168 HB1 ALA 24 HB1 ALA 24 4.759 1.087 8.707 169 HB2 ALA 24 HB2 ALA 24 3.251 0.435 8.067 170 HB3 ALA 24 HB3 ALA 24 3.356 2.140 8.508 171 H GLY 25 H GLY 25 6.820 1.767 6.002 172 HA2 GLY 25 HA2 GLY 25 7.530 -0.957 5.384 173 HA3 GLY 25 HA3 GLY 25 7.261 -0.022 3.926 174 H GLY 26 H GLY 26 9.700 -1.223 4.490 175 HA2 GLY 26 HA2 GLY 26 11.717 0.728 4.423 176 HA3 GLY 26 HA3 GLY 26 11.505 0.401 6.117 177 H THR 27 H THR 27 13.626 0.082 3.885 178 HA THR 27 HA THR 27 14.688 -2.495 4.807 179 HB THR 27 HB THR 27 16.742 -1.954 3.161 180 HG1 THR 27 HG1 THR 27 16.602 -0.328 1.971 181 HG21 THR 27 HG21 THR 27 14.084 -2.891 2.063 182 HG22 THR 27 HG22 THR 27 15.315 -3.883 2.842 183 HG23 THR 27 HG23 THR 27 15.645 -3.146 1.276 184 H ASP 28 H ASP 28 15.444 0.958 5.118 185 HA ASP 28 HA ASP 28 17.643 0.397 6.965 186 HB2 ASP 28 HB2 ASP 28 17.092 3.002 5.430 187 HB3 ASP 28 HB3 ASP 28 18.203 2.985 6.783 188 H ASN 29 H ASN 29 14.439 2.026 6.850 189 HA ASN 29 HA ASN 29 14.440 2.793 9.685 190 HB2 ASN 29 HB2 ASN 29 13.904 4.593 7.815 191 HB3 ASN 29 HB3 ASN 29 12.414 3.757 7.533 192 HD21 ASN 29 HD21 ASN 29 14.141 5.933 9.646 193 HD22 ASN 29 HD22 ASN 29 12.798 6.419 10.617 194 HA PRO 30 HA PRO 30 11.579 -1.033 10.392 195 HB2 PRO 30 HB2 PRO 30 11.613 -0.713 13.249 196 HB3 PRO 30 HB3 PRO 30 12.446 -1.919 12.298 197 HG2 PRO 30 HG2 PRO 30 13.744 0.119 13.717 198 HG3 PRO 30 HG3 PRO 30 14.464 -0.842 12.420 199 HD2 PRO 30 HD2 PRO 30 13.451 1.973 12.339 200 HD3 PRO 30 HD3 PRO 30 14.715 1.179 11.398 201 H HIS 31 H HIS 31 9.399 -1.639 11.250 202 HA HIS 31 HA HIS 31 7.758 0.407 12.563 203 HB2 HIS 31 HB2 HIS 31 6.851 -0.039 10.181 204 HB3 HIS 31 HB3 HIS 31 6.673 -1.734 10.570 205 HD1 HIS 31 HD1 HIS 31 5.113 1.639 11.681 206 HD2 HIS 31 HD2 HIS 31 4.067 -2.380 11.363 207 HE1 HIS 31 HE1 HIS 31 2.690 1.494 12.381 208 HE2 HIS 31 HE2 HIS 31 2.101 -0.939 12.170 209 H ILE 32 H ILE 32 8.351 -3.222 12.364 210 HA ILE 32 HA ILE 32 7.821 -3.623 15.103 211 HB ILE 32 HB ILE 32 5.790 -4.281 13.174 212 HG12 ILE 32 HG12 ILE 32 4.756 -5.316 15.589 213 HG13 ILE 32 HG13 ILE 32 6.096 -4.195 15.924 214 HG21 ILE 32 HG21 ILE 32 4.959 -6.601 13.521 215 HG22 ILE 32 HG22 ILE 32 6.524 -6.976 14.279 216 HG23 ILE 32 HG23 ILE 32 6.473 -6.441 12.600 217 HD11 ILE 32 HD11 ILE 32 4.977 -2.352 14.889 218 HD12 ILE 32 HD12 ILE 32 3.874 -3.064 16.045 219 HD13 ILE 32 HD13 ILE 32 3.648 -3.376 14.314 220 H GLY 33 H GLY 33 9.638 -4.062 15.772 221 HA2 GLY 33 HA2 GLY 33 11.664 -5.154 16.464 222 HA3 GLY 33 HA3 GLY 33 10.894 -6.619 15.892 223 H ASP 34 H ASP 34 11.773 -4.029 13.623 224 HA ASP 34 HA ASP 34 12.921 -3.738 11.807 225 HB2 ASP 34 HB2 ASP 34 14.950 -3.598 13.389 226 HB3 ASP 34 HB3 ASP 34 15.334 -5.266 13.063 227 H ASP 35 H ASP 35 11.225 -4.756 10.850 228 HA ASP 35 HA ASP 35 11.694 -7.196 9.274 229 HB2 ASP 35 HB2 ASP 35 9.315 -6.030 10.545 230 HB3 ASP 35 HB3 ASP 35 8.952 -6.584 8.906 231 HA PRO 36 HA PRO 36 12.345 -4.852 5.262 232 HB2 PRO 36 HB2 PRO 36 12.061 -7.324 3.656 233 HB3 PRO 36 HB3 PRO 36 13.494 -6.345 3.946 234 HG2 PRO 36 HG2 PRO 36 13.243 -8.807 5.009 235 HG3 PRO 36 HG3 PRO 36 14.045 -7.498 5.897 236 HD2 PRO 36 HD2 PRO 36 11.213 -8.497 6.169 237 HD3 PRO 36 HD3 PRO 36 12.421 -8.221 7.448 238 H SER 37 H SER 37 9.227 -6.666 5.378 239 HA SER 37 HA SER 37 8.132 -5.892 2.783 240 HB2 SER 37 HB2 SER 37 6.884 -7.487 5.073 241 HB3 SER 37 HB3 SER 37 6.045 -7.176 3.558 242 HG SER 37 HG SER 37 7.081 -8.836 2.790 243 H ILE 38 H ILE 38 6.325 -4.568 2.156 244 HA ILE 38 HA ILE 38 5.594 -2.356 3.981 245 HB ILE 38 HB ILE 38 4.782 -2.125 1.034 246 HG12 ILE 38 HG12 ILE 38 6.998 -2.218 -0.025 247 HG13 ILE 38 HG13 ILE 38 6.994 -0.647 0.550 248 HG21 ILE 38 HG21 ILE 38 5.184 0.321 1.101 249 HG22 ILE 38 HG22 ILE 38 5.518 0.150 2.824 250 HG23 ILE 38 HG23 ILE 38 3.943 -0.318 2.182 251 HD11 ILE 38 HD11 ILE 38 8.444 -2.700 2.218 252 HD12 ILE 38 HD12 ILE 38 8.535 -0.935 2.332 253 HD13 ILE 38 HD13 ILE 38 9.197 -1.768 0.924 254 H PHE 39 H PHE 39 3.630 -2.028 4.836 255 HA PHE 39 HA PHE 39 1.156 -3.160 3.892 256 HB2 PHE 39 HB2 PHE 39 0.532 -4.208 6.289 257 HB3 PHE 39 HB3 PHE 39 1.548 -5.147 5.241 258 HD1 PHE 39 HD1 PHE 39 3.938 -5.613 5.937 259 HD2 PHE 39 HD2 PHE 39 1.332 -3.390 8.520 260 HE1 PHE 39 HE1 PHE 39 5.458 -6.012 7.834 261 HE2 PHE 39 HE2 PHE 39 2.852 -3.819 10.393 262 HZ PHE 39 HZ PHE 39 4.909 -5.121 10.057 263 H ILE 40 H ILE 40 -0.967 -2.439 4.990 264 HA ILE 40 HA ILE 40 -0.952 0.416 5.537 265 HB ILE 40 HB ILE 40 -3.589 -1.095 5.634 266 HG12 ILE 40 HG12 ILE 40 -2.746 -2.221 3.552 267 HG13 ILE 40 HG13 ILE 40 -4.073 -1.183 3.124 268 HG21 ILE 40 HG21 ILE 40 -3.923 1.224 5.979 269 HG22 ILE 40 HG22 ILE 40 -4.693 0.762 4.471 270 HG23 ILE 40 HG23 ILE 40 -3.157 1.635 4.430 271 HD11 ILE 40 HD11 ILE 40 -2.354 -1.148 1.394 272 HD12 ILE 40 HD12 ILE 40 -1.144 -0.700 2.680 273 HD13 ILE 40 HD13 ILE 40 -2.414 0.432 2.266 274 H THR 41 H THR 41 -1.890 1.460 7.175 275 HA THR 41 HA THR 41 -2.696 0.389 9.724 276 HB THR 41 HB THR 41 -0.965 1.889 11.124 277 HG1 THR 41 HG1 THR 41 1.053 2.123 10.303 278 HG21 THR 41 HG21 THR 41 -0.122 -0.825 10.066 279 HG22 THR 41 HG22 THR 41 -1.139 -0.531 11.479 280 HG23 THR 41 HG23 THR 41 0.557 -0.040 11.490 281 H LYS 42 H LYS 42 -2.385 3.380 7.640 282 HA LYS 42 HA LYS 42 -4.328 4.650 9.436 283 HB2 LYS 42 HB2 LYS 42 -1.811 5.703 9.232 284 HB3 LYS 42 HB3 LYS 42 -2.443 6.387 7.765 285 HG2 LYS 42 HG2 LYS 42 -3.833 6.933 10.361 286 HG3 LYS 42 HG3 LYS 42 -2.339 7.787 9.995 287 HD2 LYS 42 HD2 LYS 42 -3.483 8.614 7.858 288 HD3 LYS 42 HD3 LYS 42 -4.969 7.880 8.442 289 HE2 LYS 42 HE2 LYS 42 -3.416 9.850 10.020 290 HE3 LYS 42 HE3 LYS 42 -4.588 10.403 8.810 291 HZ1 LYS 42 HZ1 LYS 42 -5.183 8.793 11.283 292 HZ2 LYS 42 HZ2 LYS 42 -6.340 9.217 10.125 293 HZ3 LYS 42 HZ3 LYS 42 -5.591 10.420 11.048 294 H ILE 43 H ILE 43 -6.273 4.987 8.645 295 HA ILE 43 HA ILE 43 -6.728 5.551 5.836 296 HB ILE 43 HB ILE 43 -8.536 3.780 7.652 297 HG12 ILE 43 HG12 ILE 43 -6.932 2.231 6.628 298 HG13 ILE 43 HG13 ILE 43 -8.418 1.853 5.907 299 HG21 ILE 43 HG21 ILE 43 -9.673 4.706 5.047 300 HG22 ILE 43 HG22 ILE 43 -10.281 4.983 6.682 301 HG23 ILE 43 HG23 ILE 43 -10.345 3.352 5.988 302 HD11 ILE 43 HD11 ILE 43 -6.644 1.709 4.205 303 HD12 ILE 43 HD12 ILE 43 -6.070 3.308 4.605 304 HD13 ILE 43 HD13 ILE 43 -7.612 3.140 3.767 305 H ILE 44 H ILE 44 -7.683 7.582 5.414 306 HA ILE 44 HA ILE 44 -8.744 9.263 7.511 307 HB ILE 44 HB ILE 44 -8.185 9.872 4.499 308 HG12 ILE 44 HG12 ILE 44 -6.693 11.795 5.462 309 HG13 ILE 44 HG13 ILE 44 -6.777 10.877 6.972 310 HG21 ILE 44 HG21 ILE 44 -9.363 12.056 6.210 311 HG22 ILE 44 HG22 ILE 44 -10.070 11.278 4.775 312 HG23 ILE 44 HG23 ILE 44 -8.608 12.260 4.611 313 HD11 ILE 44 HD11 ILE 44 -5.764 9.952 4.326 314 HD12 ILE 44 HD12 ILE 44 -5.797 9.023 5.821 315 HD13 ILE 44 HD13 ILE 44 -4.710 10.453 5.692 316 HA PRO 45 HA PRO 45 -13.331 8.220 7.239 317 HB2 PRO 45 HB2 PRO 45 -14.003 10.837 8.533 318 HB3 PRO 45 HB3 PRO 45 -14.310 9.198 9.108 319 HG2 PRO 45 HG2 PRO 45 -12.449 10.720 10.278 320 HG3 PRO 45 HG3 PRO 45 -12.177 8.983 10.039 321 HD2 PRO 45 HD2 PRO 45 -11.137 11.295 8.382 322 HD3 PRO 45 HD3 PRO 45 -10.232 9.912 9.000 323 H GLY 46 H GLY 46 -12.330 11.319 5.742 324 HA2 GLY 46 HA2 GLY 46 -14.583 11.273 3.796 325 HA3 GLY 46 HA3 GLY 46 -14.054 12.776 4.515 326 H GLY 47 H GLY 47 -11.958 10.058 3.208 327 HA2 GLY 47 HA2 GLY 47 -10.722 11.792 1.163 328 HA3 GLY 47 HA3 GLY 47 -10.066 10.297 1.785 329 H ALA 48 H ALA 48 -9.674 10.289 -0.709 330 HA ALA 48 HA ALA 48 -11.787 9.561 -2.541 331 HB1 ALA 48 HB1 ALA 48 -10.100 9.714 -4.308 332 HB2 ALA 48 HB2 ALA 48 -8.804 9.737 -3.115 333 HB3 ALA 48 HB3 ALA 48 -9.928 11.092 -3.215 334 H ALA 49 H ALA 49 -9.149 7.640 -0.925 335 HA ALA 49 HA ALA 49 -9.609 5.158 -2.374 336 HB1 ALA 49 HB1 ALA 49 -7.810 5.599 0.023 337 HB2 ALA 49 HB2 ALA 49 -7.364 5.775 -1.690 338 HB3 ALA 49 HB3 ALA 49 -7.811 4.201 -1.068 339 H ALA 50 H ALA 50 -10.933 6.439 0.641 340 HA ALA 50 HA ALA 50 -11.987 3.945 1.734 341 HB1 ALA 50 HB1 ALA 50 -11.063 5.713 3.280 342 HB2 ALA 50 HB2 ALA 50 -12.725 5.307 3.687 343 HB3 ALA 50 HB3 ALA 50 -12.374 6.787 2.810 344 H GLN 51 H GLN 51 -13.469 6.937 0.166 345 HA GLN 51 HA GLN 51 -16.152 5.836 0.066 346 HB2 GLN 51 HB2 GLN 51 -15.187 8.592 -0.862 347 HB3 GLN 51 HB3 GLN 51 -16.864 8.088 -0.891 348 HG2 GLN 51 HG2 GLN 51 -16.592 7.810 1.690 349 HG3 GLN 51 HG3 GLN 51 -15.115 8.682 1.497 350 HE21 GLN 51 HE21 GLN 51 -15.085 10.931 1.155 351 HE22 GLN 51 HE22 GLN 51 -16.496 11.921 1.250 352 H ASP 52 H ASP 52 -13.806 7.027 -2.646 353 HA ASP 52 HA ASP 52 -15.543 5.995 -4.727 354 HB2 ASP 52 HB2 ASP 52 -13.282 7.971 -4.675 355 HB3 ASP 52 HB3 ASP 52 -13.702 7.239 -6.198 356 H GLY 53 H GLY 53 -12.314 5.008 -3.430 357 HA2 GLY 53 HA2 GLY 53 -11.424 3.461 -5.779 358 HA3 GLY 53 HA3 GLY 53 -10.521 3.721 -4.312 359 H ARG 54 H ARG 54 -12.137 2.538 -2.336 360 HA ARG 54 HA ARG 54 -12.827 0.869 -1.217 361 HB2 ARG 54 HB2 ARG 54 -13.424 -0.565 -3.782 362 HB3 ARG 54 HB3 ARG 54 -13.578 -1.497 -2.300 363 HG2 ARG 54 HG2 ARG 54 -15.311 0.187 -1.531 364 HG3 ARG 54 HG3 ARG 54 -15.165 0.990 -3.095 365 HD2 ARG 54 HD2 ARG 54 -15.931 -1.050 -4.216 366 HD3 ARG 54 HD3 ARG 54 -16.064 -1.864 -2.656 367 HE ARG 54 HE ARG 54 -17.621 0.500 -2.596 368 HH11 ARG 54 HH11 ARG 54 -18.104 -2.767 -4.143 369 HH12 ARG 54 HH12 ARG 54 -19.826 -2.589 -4.161 370 HH21 ARG 54 HH21 ARG 54 -19.864 0.590 -2.686 371 HH22 ARG 54 HH22 ARG 54 -20.801 -0.709 -3.346 372 H LEU 55 H LEU 55 -10.480 1.394 -0.779 373 HA LEU 55 HA LEU 55 -9.123 -1.084 -0.052 374 HB2 LEU 55 HB2 LEU 55 -7.689 0.249 -1.396 375 HB3 LEU 55 HB3 LEU 55 -8.106 1.752 -0.618 376 HG LEU 55 HG LEU 55 -6.623 0.256 1.316 377 HD11 LEU 55 HD11 LEU 55 -4.561 -0.284 0.186 378 HD12 LEU 55 HD12 LEU 55 -5.298 0.090 -1.367 379 HD13 LEU 55 HD13 LEU 55 -5.883 -1.289 -0.426 380 HD21 LEU 55 HD21 LEU 55 -6.744 2.596 0.857 381 HD22 LEU 55 HD22 LEU 55 -5.806 2.368 -0.610 382 HD23 LEU 55 HD23 LEU 55 -5.056 2.055 0.984 383 H ARG 56 H ARG 56 -9.115 -1.779 1.911 384 HA ARG 56 HA ARG 56 -9.530 -0.143 4.344 385 HB2 ARG 56 HB2 ARG 56 -10.259 -3.130 3.856 386 HB3 ARG 56 HB3 ARG 56 -10.127 -2.513 5.473 387 HG2 ARG 56 HG2 ARG 56 -11.993 -1.015 5.029 388 HG3 ARG 56 HG3 ARG 56 -12.103 -1.672 3.382 389 HD2 ARG 56 HD2 ARG 56 -12.326 -3.865 4.243 390 HD3 ARG 56 HD3 ARG 56 -12.137 -3.250 5.881 391 HE ARG 56 HE ARG 56 -14.371 -1.966 4.611 392 HH11 ARG 56 HH11 ARG 56 -13.942 -5.208 6.232 393 HH12 ARG 56 HH12 ARG 56 -15.640 -5.372 6.525 394 HH21 ARG 56 HH21 ARG 56 -16.546 -2.318 5.059 395 HH22 ARG 56 HH22 ARG 56 -17.088 -3.753 5.865 396 H VAL 57 H VAL 57 -8.234 -0.796 6.341 397 HA VAL 57 HA VAL 57 -5.383 -0.983 6.102 398 HB VAL 57 HB VAL 57 -5.260 -1.550 8.691 399 HG11 VAL 57 HG11 VAL 57 -4.842 0.594 7.915 400 HG12 VAL 57 HG12 VAL 57 -5.828 0.720 9.388 401 HG13 VAL 57 HG13 VAL 57 -6.553 0.969 7.784 402 HG21 VAL 57 HG21 VAL 57 -7.556 -2.436 8.887 403 HG22 VAL 57 HG22 VAL 57 -8.142 -0.756 8.591 404 HG23 VAL 57 HG23 VAL 57 -7.192 -1.124 10.076 405 H ASN 58 H ASN 58 -7.537 -3.538 6.280 406 HA ASN 58 HA ASN 58 -5.736 -5.689 6.857 407 HB2 ASN 58 HB2 ASN 58 -8.057 -5.280 7.887 408 HB3 ASN 58 HB3 ASN 58 -8.773 -5.820 6.390 409 HD21 ASN 58 HD21 ASN 58 -8.744 -8.091 5.895 410 HD22 ASN 58 HD22 ASN 58 -8.379 -9.299 7.078 411 H ASP 59 H ASP 59 -6.123 -3.935 3.869 412 HA ASP 59 HA ASP 59 -6.444 -6.212 2.069 413 HB2 ASP 59 HB2 ASP 59 -6.578 -3.245 1.586 414 HB3 ASP 59 HB3 ASP 59 -6.143 -4.282 0.230 415 H SER 60 H SER 60 -3.727 -4.035 3.021 416 HA SER 60 HA SER 60 -1.492 -3.851 2.606 417 HB2 SER 60 HB2 SER 60 -1.603 -6.884 3.012 418 HB3 SER 60 HB3 SER 60 -0.120 -5.940 3.135 419 HG SER 60 HG SER 60 -2.151 -4.940 4.674 420 H ILE 61 H ILE 61 -0.139 -3.205 1.024 421 HA ILE 61 HA ILE 61 -0.494 -4.294 -1.692 422 HB ILE 61 HB ILE 61 1.326 -1.772 -1.146 423 HG12 ILE 61 HG12 ILE 61 -1.556 -1.338 -2.151 424 HG13 ILE 61 HG13 ILE 61 -1.323 -1.551 -0.432 425 HG21 ILE 61 HG21 ILE 61 0.877 -1.141 -3.559 426 HG22 ILE 61 HG22 ILE 61 -0.119 -2.582 -3.744 427 HG23 ILE 61 HG23 ILE 61 1.603 -2.750 -3.441 428 HD11 ILE 61 HD11 ILE 61 0.058 0.528 -0.372 429 HD12 ILE 61 HD12 ILE 61 -1.543 0.858 -1.041 430 HD13 ILE 61 HD13 ILE 61 -0.150 0.711 -2.113 431 H LEU 62 H LEU 62 0.825 -5.656 -2.890 432 HA LEU 62 HA LEU 62 3.623 -6.175 -2.067 433 HB2 LEU 62 HB2 LEU 62 3.594 -8.146 -3.563 434 HB3 LEU 62 HB3 LEU 62 2.366 -8.299 -2.305 435 HG LEU 62 HG LEU 62 1.572 -7.577 -5.157 436 HD11 LEU 62 HD11 LEU 62 1.974 -10.293 -3.979 437 HD12 LEU 62 HD12 LEU 62 2.875 -9.557 -5.328 438 HD13 LEU 62 HD13 LEU 62 1.146 -9.935 -5.496 439 HD21 LEU 62 HD21 LEU 62 0.123 -9.061 -2.952 440 HD22 LEU 62 HD22 LEU 62 -0.528 -8.665 -4.544 441 HD23 LEU 62 HD23 LEU 62 -0.152 -7.378 -3.401 442 H PHE 63 H PHE 63 1.785 -4.976 -4.880 443 HA PHE 63 HA PHE 63 4.326 -3.937 -6.020 444 HB2 PHE 63 HB2 PHE 63 2.356 -5.645 -7.626 445 HB3 PHE 63 HB3 PHE 63 3.456 -4.561 -8.473 446 HD1 PHE 63 HD1 PHE 63 3.304 -7.605 -6.290 447 HD2 PHE 63 HD2 PHE 63 5.780 -5.195 -8.741 448 HE1 PHE 63 HE1 PHE 63 4.940 -9.366 -6.252 449 HE2 PHE 63 HE2 PHE 63 7.503 -6.820 -8.701 450 HZ PHE 63 HZ PHE 63 7.146 -9.038 -7.477 451 H VAL 64 H VAL 64 4.432 -1.853 -6.567 452 HA VAL 64 HA VAL 64 1.883 -0.431 -7.051 453 HB VAL 64 HB VAL 64 3.143 -0.220 -4.787 454 HG11 VAL 64 HG11 VAL 64 4.885 0.664 -4.594 455 HG12 VAL 64 HG12 VAL 64 3.823 1.895 -3.876 456 HG13 VAL 64 HG13 VAL 64 4.464 2.117 -5.510 457 HG21 VAL 64 HG21 VAL 64 1.644 1.635 -3.963 458 HG22 VAL 64 HG22 VAL 64 1.000 0.151 -4.683 459 HG23 VAL 64 HG23 VAL 64 1.045 1.640 -5.640 460 H ASN 65 H ASN 65 1.582 1.129 -8.567 461 HA ASN 65 HA ASN 65 1.768 2.203 -10.524 462 HB2 ASN 65 HB2 ASN 65 4.166 3.287 -9.462 463 HB3 ASN 65 HB3 ASN 65 4.905 2.231 -10.575 464 HD21 ASN 65 HD21 ASN 65 5.979 3.921 -11.608 465 HD22 ASN 65 HD22 ASN 65 5.215 5.007 -12.714 466 H GLU 66 H GLU 66 2.367 -0.903 -10.173 467 HA GLU 66 HA GLU 66 2.850 -2.872 -10.937 468 HB2 GLU 66 HB2 GLU 66 3.247 -1.702 -13.797 469 HB3 GLU 66 HB3 GLU 66 3.543 -3.399 -13.483 470 HG2 GLU 66 HG2 GLU 66 1.142 -3.633 -12.783 471 HG3 GLU 66 HG3 GLU 66 0.887 -1.948 -13.215 472 H VAL 67 H VAL 67 4.935 -1.004 -9.653 473 HA VAL 67 HA VAL 67 7.429 -2.235 -10.378 474 HB VAL 67 HB VAL 67 8.686 -0.594 -9.444 475 HG11 VAL 67 HG11 VAL 67 8.296 1.528 -10.255 476 HG12 VAL 67 HG12 VAL 67 6.568 1.070 -10.515 477 HG13 VAL 67 HG13 VAL 67 7.925 0.076 -11.232 478 HG21 VAL 67 HG21 VAL 67 6.582 0.852 -7.732 479 HG22 VAL 67 HG22 VAL 67 8.305 1.316 -7.794 480 HG23 VAL 67 HG23 VAL 67 7.807 -0.264 -7.136 481 H ASP 68 H ASP 68 9.001 -2.800 -8.879 482 HA ASP 68 HA ASP 68 7.900 -4.569 -7.040 483 HB2 ASP 68 HB2 ASP 68 9.451 -5.514 -8.670 484 HB3 ASP 68 HB3 ASP 68 10.777 -4.520 -8.050 485 H VAL 69 H VAL 69 7.490 -3.772 -5.212 486 HA VAL 69 HA VAL 69 9.303 -2.141 -3.594 487 HB VAL 69 HB VAL 69 7.606 -1.314 -2.040 488 HG11 VAL 69 HG11 VAL 69 8.133 0.077 -3.613 489 HG12 VAL 69 HG12 VAL 69 6.413 0.197 -3.249 490 HG13 VAL 69 HG13 VAL 69 6.954 -0.583 -4.779 491 HG21 VAL 69 HG21 VAL 69 5.474 -2.982 -3.405 492 HG22 VAL 69 HG22 VAL 69 5.069 -1.410 -2.695 493 HG23 VAL 69 HG23 VAL 69 5.862 -2.632 -1.682 494 H ARG 70 H ARG 70 8.503 -5.313 -3.460 495 HA ARG 70 HA ARG 70 8.399 -6.130 -0.801 496 HB2 ARG 70 HB2 ARG 70 9.258 -8.421 -1.434 497 HB3 ARG 70 HB3 ARG 70 7.888 -7.866 -2.373 498 HG2 ARG 70 HG2 ARG 70 9.468 -7.502 -4.307 499 HG3 ARG 70 HG3 ARG 70 10.795 -8.092 -3.300 500 HD2 ARG 70 HD2 ARG 70 9.641 -10.256 -3.080 501 HD3 ARG 70 HD3 ARG 70 8.335 -9.662 -4.102 502 HE ARG 70 HE ARG 70 10.683 -9.348 -5.568 503 HH11 ARG 70 HH11 ARG 70 8.966 -12.377 -4.485 504 HH12 ARG 70 HH12 ARG 70 9.608 -13.306 -5.798 505 HH21 ARG 70 HH21 ARG 70 11.442 -10.677 -7.218 506 HH22 ARG 70 HH22 ARG 70 10.992 -12.346 -7.322 507 H GLU 71 H GLU 71 11.437 -4.883 -2.049 508 HA GLU 71 HA GLU 71 12.716 -4.856 0.468 509 HB2 GLU 71 HB2 GLU 71 13.838 -6.363 -1.871 510 HB3 GLU 71 HB3 GLU 71 14.980 -5.416 -0.948 511 HG2 GLU 71 HG2 GLU 71 14.370 -6.833 1.085 512 HG3 GLU 71 HG3 GLU 71 13.264 -7.751 0.072 513 H VAL 72 H VAL 72 11.938 -2.699 0.312 514 HA VAL 72 HA VAL 72 13.761 -0.782 -0.891 515 HB VAL 72 HB VAL 72 12.210 0.737 -1.953 516 HG11 VAL 72 HG11 VAL 72 12.730 -0.724 -3.563 517 HG12 VAL 72 HG12 VAL 72 11.054 -0.200 -3.796 518 HG13 VAL 72 HG13 VAL 72 11.381 -1.799 -3.139 519 HG21 VAL 72 HG21 VAL 72 10.236 0.913 -0.546 520 HG22 VAL 72 HG22 VAL 72 9.676 -0.695 -1.010 521 HG23 VAL 72 HG23 VAL 72 9.666 0.626 -2.191 522 H THR 73 H THR 73 13.668 1.459 0.041 523 HA THR 73 HA THR 73 12.979 1.743 2.887 524 HB THR 73 HB THR 73 13.624 4.292 2.427 525 HG1 THR 73 HG1 THR 73 14.232 3.235 -0.034 526 HG21 THR 73 HG21 THR 73 16.033 3.903 2.616 527 HG22 THR 73 HG22 THR 73 15.765 2.177 2.274 528 HG23 THR 73 HG23 THR 73 15.070 2.929 3.731 529 H HIS 74 H HIS 74 11.608 3.651 3.772 530 HA HIS 74 HA HIS 74 8.898 3.750 2.904 531 HB2 HIS 74 HB2 HIS 74 8.378 5.563 4.626 532 HB3 HIS 74 HB3 HIS 74 9.433 4.335 5.282 533 HD1 HIS 74 HD1 HIS 74 9.091 8.005 4.915 534 HD2 HIS 74 HD2 HIS 74 12.221 5.400 5.781 535 HE1 HIS 74 HE1 HIS 74 10.915 9.444 5.909 536 HE2 HIS 74 HE2 HIS 74 12.759 7.830 6.498 537 H SER 75 H SER 75 11.271 6.338 2.350 538 HA SER 75 HA SER 75 9.847 8.184 0.696 539 HB2 SER 75 HB2 SER 75 12.144 9.087 -0.044 540 HB3 SER 75 HB3 SER 75 11.918 9.013 1.703 541 HG SER 75 HG SER 75 13.749 7.936 1.654 542 H ALA 76 H ALA 76 11.656 5.293 -0.341 543 HA ALA 76 HA ALA 76 11.471 5.418 -3.194 544 HB1 ALA 76 HB1 ALA 76 13.208 4.193 -1.976 545 HB2 ALA 76 HB2 ALA 76 12.344 3.090 -3.071 546 HB3 ALA 76 HB3 ALA 76 11.984 3.108 -1.333 547 H ALA 77 H ALA 77 9.093 4.263 -0.709 548 HA ALA 77 HA ALA 77 7.230 2.910 -2.562 549 HB1 ALA 77 HB1 ALA 77 7.040 3.343 0.428 550 HB2 ALA 77 HB2 ALA 77 7.734 1.909 -0.344 551 HB3 ALA 77 HB3 ALA 77 6.004 2.265 -0.532 552 H VAL 78 H VAL 78 7.458 6.018 -0.821 553 HA VAL 78 HA VAL 78 4.832 7.196 -1.603 554 HB VAL 78 HB VAL 78 7.344 8.588 -0.283 555 HG11 VAL 78 HG11 VAL 78 4.534 9.701 -0.203 556 HG12 VAL 78 HG12 VAL 78 5.780 10.325 -1.310 557 HG13 VAL 78 HG13 VAL 78 5.984 10.470 0.453 558 HG21 VAL 78 HG21 VAL 78 4.754 7.844 0.946 559 HG22 VAL 78 HG22 VAL 78 6.115 8.612 1.794 560 HG23 VAL 78 HG23 VAL 78 6.272 6.943 1.156 561 H GLU 79 H GLU 79 8.179 7.490 -2.989 562 HA GLU 79 HA GLU 79 7.839 9.410 -5.069 563 HB2 GLU 79 HB2 GLU 79 9.921 7.329 -4.610 564 HB3 GLU 79 HB3 GLU 79 9.995 8.253 -6.095 565 HG2 GLU 79 HG2 GLU 79 10.064 10.365 -4.700 566 HG3 GLU 79 HG3 GLU 79 10.135 9.307 -3.291 567 H ALA 80 H ALA 80 7.045 6.010 -5.156 568 HA ALA 80 HA ALA 80 6.535 5.653 -7.990 569 HB1 ALA 80 HB1 ALA 80 5.467 4.023 -5.619 570 HB2 ALA 80 HB2 ALA 80 6.976 3.711 -6.437 571 HB3 ALA 80 HB3 ALA 80 5.451 3.491 -7.290 572 H LEU 81 H LEU 81 4.643 7.046 -5.227 573 HA LEU 81 HA LEU 81 2.156 7.290 -6.672 574 HB2 LEU 81 HB2 LEU 81 2.561 8.028 -3.734 575 HB3 LEU 81 HB3 LEU 81 1.049 7.810 -4.559 576 HG LEU 81 HG LEU 81 2.978 5.666 -3.577 577 HD11 LEU 81 HD11 LEU 81 1.158 4.848 -2.307 578 HD12 LEU 81 HD12 LEU 81 0.187 6.232 -2.875 579 HD13 LEU 81 HD13 LEU 81 1.663 6.499 -1.919 580 HD21 LEU 81 HD21 LEU 81 2.293 4.807 -5.592 581 HD22 LEU 81 HD22 LEU 81 0.570 5.146 -5.359 582 HD23 LEU 81 HD23 LEU 81 1.387 3.871 -4.390 583 H LYS 82 H LYS 82 4.665 9.458 -5.419 584 HA LYS 82 HA LYS 82 3.397 12.015 -5.997 585 HB2 LYS 82 HB2 LYS 82 6.285 11.385 -5.134 586 HB3 LYS 82 HB3 LYS 82 5.682 13.010 -5.323 587 HG2 LYS 82 HG2 LYS 82 4.455 11.115 -3.255 588 HG3 LYS 82 HG3 LYS 82 5.945 11.957 -2.902 589 HD2 LYS 82 HD2 LYS 82 3.327 13.401 -3.566 590 HD3 LYS 82 HD3 LYS 82 3.719 12.806 -1.962 591 HE2 LYS 82 HE2 LYS 82 4.187 15.203 -1.970 592 HE3 LYS 82 HE3 LYS 82 5.737 14.382 -1.956 593 HZ1 LYS 82 HZ1 LYS 82 4.440 15.622 -4.347 594 HZ2 LYS 82 HZ2 LYS 82 5.944 14.848 -4.349 595 HZ3 LYS 82 HZ3 LYS 82 5.732 16.278 -3.474 596 H GLU 83 H GLU 83 5.837 9.974 -7.685 597 HA GLU 83 HA GLU 83 6.375 11.960 -9.814 598 HB2 GLU 83 HB2 GLU 83 7.647 9.381 -9.262 599 HB3 GLU 83 HB3 GLU 83 8.016 10.173 -10.799 600 HG2 GLU 83 HG2 GLU 83 8.449 12.169 -9.550 601 HG3 GLU 83 HG3 GLU 83 8.347 11.248 -8.064 602 H ALA 84 H ALA 84 4.257 9.216 -9.881 603 HA ALA 84 HA ALA 84 4.129 8.665 -12.722 604 HB1 ALA 84 HB1 ALA 84 2.076 7.395 -12.339 605 HB2 ALA 84 HB2 ALA 84 1.786 8.237 -10.831 606 HB3 ALA 84 HB3 ALA 84 3.157 7.137 -10.971 607 H GLY 85 H GLY 85 2.624 11.273 -10.985 608 HA2 GLY 85 HA2 GLY 85 2.575 13.516 -12.139 609 HA3 GLY 85 HA3 GLY 85 1.998 12.537 -13.484 610 H SER 86 H SER 86 -0.167 11.191 -12.361 611 HA SER 86 HA SER 86 -2.281 12.899 -11.414 612 HB2 SER 86 HB2 SER 86 -1.902 13.843 -13.706 613 HB3 SER 86 HB3 SER 86 -2.353 12.313 -14.435 614 HG SER 86 HG SER 86 -4.116 14.007 -14.322 615 H ILE 87 H ILE 87 -1.274 9.842 -13.028 616 HA ILE 87 HA ILE 87 -3.551 8.364 -11.875 617 HB ILE 87 HB ILE 87 -2.534 7.686 -14.733 618 HG12 ILE 87 HG12 ILE 87 -3.813 9.780 -14.917 619 HG13 ILE 87 HG13 ILE 87 -4.671 8.568 -15.861 620 HG21 ILE 87 HG21 ILE 87 -4.873 6.343 -13.417 621 HG22 ILE 87 HG22 ILE 87 -3.327 5.608 -13.868 622 HG23 ILE 87 HG23 ILE 87 -4.475 6.109 -15.137 623 HD11 ILE 87 HD11 ILE 87 -5.511 9.842 -13.174 624 HD12 ILE 87 HD12 ILE 87 -6.433 8.600 -13.971 625 HD13 ILE 87 HD13 ILE 87 -6.250 10.179 -14.748 626 H VAL 88 H VAL 88 -3.100 6.981 -10.530 627 HA VAL 88 HA VAL 88 -0.590 5.513 -10.382 628 HB VAL 88 HB VAL 88 -1.678 7.493 -8.684 629 HG11 VAL 88 HG11 VAL 88 -1.270 5.275 -6.765 630 HG12 VAL 88 HG12 VAL 88 -2.607 6.421 -6.995 631 HG13 VAL 88 HG13 VAL 88 -1.081 6.983 -6.313 632 HG21 VAL 88 HG21 VAL 88 0.624 7.696 -7.661 633 HG22 VAL 88 HG22 VAL 88 0.371 7.870 -9.387 634 HG23 VAL 88 HG23 VAL 88 1.046 6.379 -8.769 635 H ARG 89 H ARG 89 -0.583 3.529 -10.085 636 HA ARG 89 HA ARG 89 -3.014 1.906 -9.600 637 HB2 ARG 89 HB2 ARG 89 -2.378 0.112 -11.478 638 HB3 ARG 89 HB3 ARG 89 -2.958 1.625 -12.069 639 HG2 ARG 89 HG2 ARG 89 -0.588 2.230 -12.600 640 HG3 ARG 89 HG3 ARG 89 -0.140 0.580 -12.126 641 HD2 ARG 89 HD2 ARG 89 -1.680 -0.331 -13.668 642 HD3 ARG 89 HD3 ARG 89 -2.272 1.280 -14.062 643 HE ARG 89 HE ARG 89 0.572 0.978 -14.589 644 HH11 ARG 89 HH11 ARG 89 -2.508 0.439 -16.470 645 HH12 ARG 89 HH12 ARG 89 -1.683 0.521 -17.991 646 HH21 ARG 89 HH21 ARG 89 1.503 1.062 -16.632 647 HH22 ARG 89 HH22 ARG 89 0.559 0.868 -18.073 648 H LEU 90 H LEU 90 -3.063 0.936 -7.732 649 HA LEU 90 HA LEU 90 -0.766 -0.482 -6.656 650 HB2 LEU 90 HB2 LEU 90 -2.095 -0.456 -4.415 651 HB3 LEU 90 HB3 LEU 90 -1.606 1.134 -4.983 652 HG LEU 90 HG LEU 90 -3.638 1.415 -3.885 653 HD11 LEU 90 HD11 LEU 90 -4.626 1.354 -6.553 654 HD12 LEU 90 HD12 LEU 90 -4.028 2.686 -5.506 655 HD13 LEU 90 HD13 LEU 90 -5.506 1.820 -5.089 656 HD21 LEU 90 HD21 LEU 90 -4.853 -1.045 -4.981 657 HD22 LEU 90 HD22 LEU 90 -5.411 -0.033 -3.610 658 HD23 LEU 90 HD23 LEU 90 -3.850 -0.903 -3.553 659 H TYR 91 H TYR 91 -0.587 -2.592 -6.128 660 HA TYR 91 HA TYR 91 -2.767 -4.514 -6.676 661 HB2 TYR 91 HB2 TYR 91 -0.604 -4.558 -8.317 662 HB3 TYR 91 HB3 TYR 91 0.189 -5.213 -6.968 663 HD1 TYR 91 HD1 TYR 91 -3.142 -6.269 -8.536 664 HD2 TYR 91 HD2 TYR 91 0.774 -7.396 -7.302 665 HE1 TYR 91 HE1 TYR 91 -3.683 -8.455 -9.092 666 HE2 TYR 91 HE2 TYR 91 0.334 -9.666 -7.864 667 HH TYR 91 HH TYR 91 -2.414 -10.615 -9.763 668 H VAL 92 H VAL 92 -3.631 -5.299 -5.036 669 HA VAL 92 HA VAL 92 -2.217 -5.704 -2.456 670 HB VAL 92 HB VAL 92 -4.387 -5.416 -1.184 671 HG11 VAL 92 HG11 VAL 92 -3.149 -3.418 -1.448 672 HG12 VAL 92 HG12 VAL 92 -4.875 -3.065 -1.477 673 HG13 VAL 92 HG13 VAL 92 -3.965 -3.051 -2.969 674 HG21 VAL 92 HG21 VAL 92 -6.556 -4.640 -2.329 675 HG22 VAL 92 HG22 VAL 92 -5.944 -6.290 -2.684 676 HG23 VAL 92 HG23 VAL 92 -5.733 -5.057 -3.889 677 H MET 93 H MET 93 -3.057 -7.279 -0.858 678 HA MET 93 HA MET 93 -3.652 -10.056 -1.826 679 HB2 MET 93 HB2 MET 93 -1.755 -11.167 -0.467 680 HB3 MET 93 HB3 MET 93 -1.155 -10.120 -1.725 681 HG2 MET 93 HG2 MET 93 -0.493 -8.434 -0.037 682 HG3 MET 93 HG3 MET 93 -1.153 -9.446 1.245 683 HE1 MET 93 HE1 MET 93 2.736 -9.684 1.795 684 HE2 MET 93 HE2 MET 93 1.186 -9.303 2.545 685 HE3 MET 93 HE3 MET 93 1.818 -8.277 1.255 686 H ARG 94 H ARG 94 -5.268 -11.084 -1.042 687 HA ARG 94 HA ARG 94 -6.217 -10.727 1.714 688 HB2 ARG 94 HB2 ARG 94 -7.764 -9.780 -0.233 689 HB3 ARG 94 HB3 ARG 94 -7.965 -11.420 -0.771 690 HG2 ARG 94 HG2 ARG 94 -10.015 -10.908 0.325 691 HG3 ARG 94 HG3 ARG 94 -9.141 -11.824 1.538 692 HD2 ARG 94 HD2 ARG 94 -8.530 -9.693 2.677 693 HD3 ARG 94 HD3 ARG 94 -9.416 -8.789 1.447 694 HE ARG 94 HE ARG 94 -11.147 -10.697 2.624 695 HH11 ARG 94 HH11 ARG 94 -9.827 -7.488 3.751 696 HH12 ARG 94 HH12 ARG 94 -11.149 -7.243 4.842 697 HH21 ARG 94 HH21 ARG 94 -12.798 -10.243 4.078 698 HH22 ARG 94 HH22 ARG 94 -12.806 -8.788 5.018 699 H ARG 95 H ARG 95 -6.969 -12.575 2.780 700 HA ARG 95 HA ARG 95 -5.497 -15.077 2.388 701 HB2 ARG 95 HB2 ARG 95 -5.829 -13.698 4.651 702 HB3 ARG 95 HB3 ARG 95 -7.344 -14.563 4.778 703 HG2 ARG 95 HG2 ARG 95 -5.985 -16.725 4.787 704 HG3 ARG 95 HG3 ARG 95 -4.534 -15.724 4.884 705 HD2 ARG 95 HD2 ARG 95 -5.404 -14.715 6.953 706 HD3 ARG 95 HD3 ARG 95 -6.825 -15.761 6.806 707 HE ARG 95 HE ARG 95 -4.481 -17.361 6.816 708 HH11 ARG 95 HH11 ARG 95 -6.378 -15.663 9.435 709 HH12 ARG 95 HH12 ARG 95 -5.793 -16.739 10.659 710 HH21 ARG 95 HH21 ARG 95 -3.812 -18.676 8.508 711 HH22 ARG 95 HH22 ARG 95 -4.358 -18.417 10.133 712 H LYS 96 H LYS 96 -6.189 -17.114 2.098 713 HA LYS 96 HA LYS 96 -8.568 -17.888 0.741 714 HB2 LYS 96 HB2 LYS 96 -7.605 -20.309 0.793 715 HB3 LYS 96 HB3 LYS 96 -6.590 -19.107 0.042 716 HG2 LYS 96 HG2 LYS 96 -5.085 -19.111 1.992 717 HG3 LYS 96 HG3 LYS 96 -6.145 -20.224 2.864 718 HD2 LYS 96 HD2 LYS 96 -5.649 -21.939 1.144 719 HD3 LYS 96 HD3 LYS 96 -4.568 -20.795 0.343 720 HE2 LYS 96 HE2 LYS 96 -3.176 -20.689 2.365 721 HE3 LYS 96 HE3 LYS 96 -4.262 -21.818 3.172 722 HZ1 LYS 96 HZ1 LYS 96 -2.293 -22.924 2.328 723 HZ2 LYS 96 HZ2 LYS 96 -2.638 -22.405 0.755 724 HZ3 LYS 96 HZ3 LYS 96 -3.674 -23.493 1.531 725 HA PRO 97 HA PRO 97 -11.562 -19.196 4.146 726 HB2 PRO 97 HB2 PRO 97 -13.365 -20.455 2.126 727 HB3 PRO 97 HB3 PRO 97 -13.677 -19.076 3.179 728 HG2 PRO 97 HG2 PRO 97 -13.362 -18.767 0.522 729 HG3 PRO 97 HG3 PRO 97 -12.771 -17.553 1.671 730 HD2 PRO 97 HD2 PRO 97 -11.235 -19.726 0.256 731 HD3 PRO 97 HD3 PRO 97 -10.824 -18.004 0.426 732 HA PRO 98 HA PRO 98 -10.387 -23.749 5.053 733 HB2 PRO 98 HB2 PRO 98 -11.747 -23.516 7.696 734 HB3 PRO 98 HB3 PRO 98 -10.053 -23.855 7.346 735 HG2 PRO 98 HG2 PRO 98 -10.789 -21.500 8.390 736 HG3 PRO 98 HG3 PRO 98 -9.498 -21.594 7.178 737 HD2 PRO 98 HD2 PRO 98 -12.395 -20.841 6.793 738 HD3 PRO 98 HD3 PRO 98 -10.939 -19.995 6.216 739 H ALA 99 H ALA 99 -13.872 -22.796 5.623 740 HA ALA 99 HA ALA 99 -14.854 -25.503 5.004 741 HB1 ALA 99 HB1 ALA 99 -15.466 -24.765 7.338 742 HB2 ALA 99 HB2 ALA 99 -16.897 -25.080 6.360 743 HB3 ALA 99 HB3 ALA 99 -16.384 -23.420 6.654 744 H1 VAL 1 H1 VAL 1 4.276 -0.312 15.718 745 H2 VAL 1 H2 VAL 1 5.850 -0.145 16.314 746 H3 VAL 1 H3 VAL 1 5.050 1.194 15.662 747 HA VAL 1 HA VAL 1 3.595 1.371 17.317 748 HB VAL 1 HB VAL 1 3.414 -0.148 19.451 749 HG11 VAL 1 HG11 VAL 1 2.501 -1.393 16.893 750 HG12 VAL 1 HG12 VAL 1 1.638 -0.218 17.887 751 HG13 VAL 1 HG13 VAL 1 1.931 -1.851 18.499 752 HG21 VAL 1 HG21 VAL 1 5.474 -1.569 19.321 753 HG22 VAL 1 HG22 VAL 1 4.963 -2.255 17.802 754 HG23 VAL 1 HG23 VAL 1 4.059 -2.625 19.272 755 H VAL 2 H VAL 2 6.715 0.219 18.425 756 HA VAL 2 HA VAL 2 7.307 2.781 19.756 757 HB VAL 2 HB VAL 2 9.176 1.505 21.133 758 HG11 VAL 2 HG11 VAL 2 6.334 0.774 21.743 759 HG12 VAL 2 HG12 VAL 2 7.215 2.209 22.273 760 HG13 VAL 2 HG13 VAL 2 7.684 0.615 22.869 761 HG21 VAL 2 HG21 VAL 2 8.886 -1.000 21.564 762 HG22 VAL 2 HG22 VAL 2 9.364 -0.673 19.896 763 HG23 VAL 2 HG23 VAL 2 7.690 -1.051 20.255 764 H SER 3 H SER 3 7.776 1.693 16.787 765 HA SER 3 HA SER 3 10.604 2.544 16.258 766 HB2 SER 3 HB2 SER 3 9.318 -0.024 15.190 767 HB3 SER 3 HB3 SER 3 10.830 0.637 14.581 768 HG SER 3 HG SER 3 10.297 -0.305 17.214 769 H GLU 4 H GLU 4 7.380 3.110 15.484 770 HA GLU 4 HA GLU 4 6.947 3.045 12.795 771 HB2 GLU 4 HB2 GLU 4 5.209 3.089 14.528 772 HB3 GLU 4 HB3 GLU 4 5.459 4.820 14.844 773 HG2 GLU 4 HG2 GLU 4 4.512 4.939 12.301 774 HG3 GLU 4 HG3 GLU 4 4.274 3.227 12.765 775 H ARG 5 H ARG 5 6.807 6.597 13.880 776 HA ARG 5 HA ARG 5 6.778 8.483 12.664 777 HB2 ARG 5 HB2 ARG 5 9.285 8.320 13.543 778 HB3 ARG 5 HB3 ARG 5 9.753 7.797 11.954 779 HG2 ARG 5 HG2 ARG 5 8.532 10.548 12.278 780 HG3 ARG 5 HG3 ARG 5 10.180 10.291 12.820 781 HD2 ARG 5 HD2 ARG 5 10.791 9.566 10.510 782 HD3 ARG 5 HD3 ARG 5 9.132 9.858 9.996 783 HE ARG 5 HE ARG 5 10.058 12.239 11.131 784 HH11 ARG 5 HH11 ARG 5 10.990 10.539 8.039 785 HH12 ARG 5 HH12 ARG 5 11.514 12.012 7.297 786 HH21 ARG 5 HH21 ARG 5 10.774 14.068 10.042 787 HH22 ARG 5 HH22 ARG 5 11.391 13.983 8.426 788 H ILE 6 H ILE 6 5.055 7.910 11.333 789 HA ILE 6 HA ILE 6 5.525 6.800 8.720 790 HB ILE 6 HB ILE 6 3.723 5.691 10.170 791 HG12 ILE 6 HG12 ILE 6 2.518 6.568 7.410 792 HG13 ILE 6 HG13 ILE 6 3.690 5.302 7.689 793 HG21 ILE 6 HG21 ILE 6 1.926 8.122 9.941 794 HG22 ILE 6 HG22 ILE 6 2.649 7.440 11.395 795 HG23 ILE 6 HG23 ILE 6 1.391 6.548 10.545 796 HD11 ILE 6 HD11 ILE 6 1.543 4.308 7.048 797 HD12 ILE 6 HD12 ILE 6 0.675 5.177 8.250 798 HD13 ILE 6 HD13 ILE 6 1.818 3.898 8.747 799 H SER 7 H SER 7 3.101 9.460 9.248 800 HA SER 7 HA SER 7 2.284 11.213 7.941 801 HB2 SER 7 HB2 SER 7 5.264 12.000 8.029 802 HB3 SER 7 HB3 SER 7 4.012 13.124 7.517 803 HG SER 7 HG SER 7 4.549 13.319 9.759 804 H SER 8 H SER 8 2.724 8.900 6.185 805 HA SER 8 HA SER 8 3.681 9.682 3.548 806 HB2 SER 8 HB2 SER 8 2.667 6.890 4.463 807 HB3 SER 8 HB3 SER 8 3.435 7.300 2.947 808 HG SER 8 HG SER 8 4.619 7.091 5.471 809 H VAL 9 H VAL 9 2.130 8.202 1.620 810 HA VAL 9 HA VAL 9 -0.511 9.585 1.436 811 HB VAL 9 HB VAL 9 1.187 9.084 -1.237 812 HG11 VAL 9 HG11 VAL 9 -1.128 9.684 -1.628 813 HG12 VAL 9 HG12 VAL 9 -0.044 10.927 -2.240 814 HG13 VAL 9 HG13 VAL 9 -0.920 11.191 -0.744 815 HG21 VAL 9 HG21 VAL 9 1.346 11.728 0.277 816 HG22 VAL 9 HG22 VAL 9 2.011 11.411 -1.323 817 HG23 VAL 9 HG23 VAL 9 2.674 10.580 0.086 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 -3.992 -29.859 -6.502 2 H2 GLY 1 H2 GLY 1 -4.464 -31.022 -5.367 3 H3 GLY 1 H3 GLY 1 -3.921 -31.504 -6.893 4 HA2 GLY 1 HA2 GLY 1 -2.198 -31.869 -5.248 5 HA3 GLY 1 HA3 GLY 1 -1.710 -30.666 -6.432 6 H ALA 2 H ALA 2 -1.413 -28.513 -5.868 7 HA ALA 2 HA ALA 2 -1.296 -27.810 -2.988 8 HB1 ALA 2 HB1 ALA 2 0.936 -27.863 -4.147 9 HB2 ALA 2 HB2 ALA 2 0.567 -26.256 -3.523 10 HB3 ALA 2 HB3 ALA 2 0.380 -26.593 -5.242 11 H MET 3 H MET 3 -2.297 -26.062 -2.080 12 HA MET 3 HA MET 3 -3.984 -24.293 -3.734 13 HB2 MET 3 HB2 MET 3 -4.504 -25.375 -0.944 14 HB3 MET 3 HB3 MET 3 -5.241 -23.847 -1.390 15 HG2 MET 3 HG2 MET 3 -6.426 -24.899 -3.207 16 HG3 MET 3 HG3 MET 3 -5.591 -26.417 -2.925 17 HE1 MET 3 HE1 MET 3 -9.304 -27.200 -1.857 18 HE2 MET 3 HE2 MET 3 -7.939 -27.711 -2.851 19 HE3 MET 3 HE3 MET 3 -8.758 -26.188 -3.194 20 H GLU 4 H GLU 4 -4.003 -22.207 -3.808 21 HA GLU 4 HA GLU 4 -2.056 -20.547 -2.286 22 HB2 GLU 4 HB2 GLU 4 -2.589 -20.234 -5.315 23 HB3 GLU 4 HB3 GLU 4 -1.664 -19.126 -4.384 24 HG2 GLU 4 HG2 GLU 4 -0.737 -22.010 -4.698 25 HG3 GLU 4 HG3 GLU 4 -0.344 -20.768 -5.867 26 H MET 5 H MET 5 -2.468 -18.126 -2.336 27 HA MET 5 HA MET 5 -5.178 -17.498 -1.539 28 HB2 MET 5 HB2 MET 5 -4.256 -15.323 -0.515 29 HB3 MET 5 HB3 MET 5 -3.483 -16.759 0.092 30 HG2 MET 5 HG2 MET 5 -1.506 -16.214 -1.366 31 HG3 MET 5 HG3 MET 5 -2.307 -14.725 -1.844 32 HE1 MET 5 HE1 MET 5 0.635 -14.832 -0.542 33 HE2 MET 5 HE2 MET 5 0.550 -13.468 0.572 34 HE3 MET 5 HE3 MET 5 -0.147 -13.333 -1.043 35 H GLU 6 H GLU 6 -6.001 -14.980 -1.917 36 HA GLU 6 HA GLU 6 -6.392 -14.694 -4.804 37 HB2 GLU 6 HB2 GLU 6 -8.862 -13.919 -4.477 38 HB3 GLU 6 HB3 GLU 6 -8.569 -15.601 -4.136 39 HG2 GLU 6 HG2 GLU 6 -8.775 -15.136 -1.682 40 HG3 GLU 6 HG3 GLU 6 -8.970 -13.423 -2.014 41 H TYR 7 H TYR 7 -5.775 -13.058 -5.830 42 HA TYR 7 HA TYR 7 -4.938 -10.569 -4.451 43 HB2 TYR 7 HB2 TYR 7 -3.961 -11.621 -7.171 44 HB3 TYR 7 HB3 TYR 7 -3.365 -10.204 -6.382 45 HD1 TYR 7 HD1 TYR 7 -3.274 -13.966 -6.163 46 HD2 TYR 7 HD2 TYR 7 -1.644 -10.302 -4.780 47 HE1 TYR 7 HE1 TYR 7 -1.418 -15.216 -5.189 48 HE2 TYR 7 HE2 TYR 7 0.306 -11.539 -3.802 49 HH TYR 7 HH TYR 7 0.938 -14.810 -4.506 50 H GLU 8 H GLU 8 -5.324 -8.462 -5.151 51 HA GLU 8 HA GLU 8 -7.397 -7.989 -7.245 52 HB2 GLU 8 HB2 GLU 8 -8.334 -7.969 -4.717 53 HB3 GLU 8 HB3 GLU 8 -7.567 -6.402 -4.609 54 HG2 GLU 8 HG2 GLU 8 -9.103 -5.532 -6.379 55 HG3 GLU 8 HG3 GLU 8 -9.841 -7.121 -6.520 56 H GLU 9 H GLU 9 -7.072 -6.359 -8.688 57 HA GLU 9 HA GLU 9 -4.957 -4.423 -8.260 58 HB2 GLU 9 HB2 GLU 9 -4.676 -4.174 -10.812 59 HB3 GLU 9 HB3 GLU 9 -4.276 -5.749 -10.165 60 HG2 GLU 9 HG2 GLU 9 -6.381 -6.701 -11.157 61 HG3 GLU 9 HG3 GLU 9 -6.816 -5.113 -11.766 62 H ILE 10 H ILE 10 -5.419 -2.333 -7.730 63 HA ILE 10 HA ILE 10 -7.969 -1.117 -8.650 64 HB ILE 10 HB ILE 10 -6.451 -0.562 -5.969 65 HG12 ILE 10 HG12 ILE 10 -9.325 -1.509 -5.741 66 HG13 ILE 10 HG13 ILE 10 -8.162 -2.690 -6.320 67 HG21 ILE 10 HG21 ILE 10 -9.044 0.923 -6.772 68 HG22 ILE 10 HG22 ILE 10 -7.424 1.598 -6.419 69 HG23 ILE 10 HG23 ILE 10 -8.364 0.908 -5.122 70 HD11 ILE 10 HD11 ILE 10 -6.810 -2.157 -4.229 71 HD12 ILE 10 HD12 ILE 10 -8.317 -3.061 -3.965 72 HD13 ILE 10 HD13 ILE 10 -8.247 -1.316 -3.618 73 H THR 11 H THR 11 -8.024 0.897 -9.650 74 HA THR 11 HA THR 11 -5.570 2.540 -10.012 75 HB THR 11 HB THR 11 -7.713 2.550 -12.278 76 HG1 THR 11 HG1 THR 11 -5.744 0.555 -11.854 77 HG21 THR 11 HG21 THR 11 -5.778 3.148 -13.763 78 HG22 THR 11 HG22 THR 11 -4.689 2.942 -12.380 79 HG23 THR 11 HG23 THR 11 -5.847 4.254 -12.376 80 H LEU 12 H LEU 12 -5.589 4.450 -9.198 81 HA LEU 12 HA LEU 12 -8.050 5.960 -8.541 82 HB2 LEU 12 HB2 LEU 12 -5.441 5.723 -6.932 83 HB3 LEU 12 HB3 LEU 12 -6.476 7.091 -6.718 84 HG LEU 12 HG LEU 12 -7.299 4.212 -5.916 85 HD11 LEU 12 HD11 LEU 12 -6.074 6.380 -4.302 86 HD12 LEU 12 HD12 LEU 12 -5.304 4.874 -4.804 87 HD13 LEU 12 HD13 LEU 12 -6.693 4.837 -3.717 88 HD21 LEU 12 HD21 LEU 12 -8.963 5.337 -4.508 89 HD22 LEU 12 HD22 LEU 12 -9.228 5.867 -6.165 90 HD23 LEU 12 HD23 LEU 12 -8.395 6.924 -5.031 91 H GLU 13 H GLU 13 -8.208 8.124 -9.142 92 HA GLU 13 HA GLU 13 -5.894 9.440 -10.318 93 HB2 GLU 13 HB2 GLU 13 -7.487 11.363 -11.103 94 HB3 GLU 13 HB3 GLU 13 -7.709 9.829 -11.877 95 HG2 GLU 13 HG2 GLU 13 -9.780 10.823 -11.676 96 HG3 GLU 13 HG3 GLU 13 -9.770 9.531 -10.451 97 H ARG 14 H ARG 14 -4.999 11.247 -9.672 98 HA ARG 14 HA ARG 14 -4.643 11.519 -6.844 99 HB2 ARG 14 HB2 ARG 14 -3.051 12.365 -9.135 100 HB3 ARG 14 HB3 ARG 14 -2.801 13.434 -7.727 101 HG2 ARG 14 HG2 ARG 14 -2.252 11.230 -6.492 102 HG3 ARG 14 HG3 ARG 14 -2.276 10.459 -8.074 103 HD2 ARG 14 HD2 ARG 14 0.008 10.911 -7.680 104 HD3 ARG 14 HD3 ARG 14 -0.507 12.203 -8.755 105 HE ARG 14 HE ARG 14 -0.640 12.967 -5.955 106 HH11 ARG 14 HH11 ARG 14 1.831 13.038 -8.620 107 HH12 ARG 14 HH12 ARG 14 2.798 14.217 -7.798 108 HH21 ARG 14 HH21 ARG 14 0.705 14.490 -5.002 109 HH22 ARG 14 HH22 ARG 14 2.160 15.023 -5.775 110 H GLY 15 H GLY 15 -5.642 12.407 -5.379 111 HA2 GLY 15 HA2 GLY 15 -7.550 14.591 -5.727 112 HA3 GLY 15 HA3 GLY 15 -7.260 13.698 -4.261 113 H ASN 16 H ASN 16 -7.945 16.180 -3.886 114 HA ASN 16 HA ASN 16 -5.794 18.166 -3.718 115 HB2 ASN 16 HB2 ASN 16 -8.781 18.396 -3.045 116 HB3 ASN 16 HB3 ASN 16 -7.667 19.704 -2.716 117 HD21 ASN 16 HD21 ASN 16 -6.903 20.968 -4.475 118 HD22 ASN 16 HD22 ASN 16 -7.604 20.888 -6.052 119 H SER 17 H SER 17 -7.294 15.939 -1.396 120 HA SER 17 HA SER 17 -6.129 17.166 0.995 121 HB2 SER 17 HB2 SER 17 -7.517 15.474 2.324 122 HB3 SER 17 HB3 SER 17 -8.469 16.547 1.314 123 HG SER 17 HG SER 17 -9.305 14.767 0.526 124 H GLY 18 H GLY 18 -5.221 14.299 -1.146 125 HA2 GLY 18 HA2 GLY 18 -2.919 13.608 -1.038 126 HA3 GLY 18 HA3 GLY 18 -3.064 13.557 0.710 127 H LEU 19 H LEU 19 -5.510 12.502 -1.637 128 HA LEU 19 HA LEU 19 -6.605 10.732 -2.317 129 HB2 LEU 19 HB2 LEU 19 -4.164 8.844 -1.910 130 HB3 LEU 19 HB3 LEU 19 -5.607 8.637 -2.915 131 HG LEU 19 HG LEU 19 -4.028 10.955 -3.612 132 HD11 LEU 19 HD11 LEU 19 -3.074 8.092 -3.982 133 HD12 LEU 19 HD12 LEU 19 -2.264 9.339 -3.031 134 HD13 LEU 19 HD13 LEU 19 -2.354 9.496 -4.787 135 HD21 LEU 19 HD21 LEU 19 -5.913 10.251 -4.877 136 HD22 LEU 19 HD22 LEU 19 -5.278 8.611 -5.059 137 HD23 LEU 19 HD23 LEU 19 -4.479 9.981 -5.880 138 H GLY 20 H GLY 20 -5.818 10.500 0.992 139 HA2 GLY 20 HA2 GLY 20 -7.517 10.215 2.651 140 HA3 GLY 20 HA3 GLY 20 -8.418 9.217 1.541 141 H PHE 21 H PHE 21 -4.876 8.523 2.192 142 HA PHE 21 HA PHE 21 -5.253 6.746 4.349 143 HB2 PHE 21 HB2 PHE 21 -4.566 4.586 3.284 144 HB3 PHE 21 HB3 PHE 21 -5.925 5.192 2.434 145 HD1 PHE 21 HD1 PHE 21 -5.422 6.361 -0.051 146 HD2 PHE 21 HD2 PHE 21 -2.690 3.781 2.041 147 HE1 PHE 21 HE1 PHE 21 -4.314 5.792 -2.185 148 HE2 PHE 21 HE2 PHE 21 -1.576 3.257 -0.120 149 HZ PHE 21 HZ PHE 21 -2.391 4.268 -2.208 150 H SER 22 H SER 22 -2.819 5.737 5.118 151 HA SER 22 HA SER 22 -0.547 7.067 3.871 152 HB2 SER 22 HB2 SER 22 -0.951 6.927 6.915 153 HB3 SER 22 HB3 SER 22 0.543 7.373 6.077 154 HG SER 22 HG SER 22 -1.537 8.870 5.210 155 H ILE 23 H ILE 23 1.468 5.874 3.810 156 HA ILE 23 HA ILE 23 1.375 3.090 4.687 157 HB ILE 23 HB ILE 23 2.640 2.264 2.596 158 HG12 ILE 23 HG12 ILE 23 1.583 3.128 0.361 159 HG13 ILE 23 HG13 ILE 23 1.005 4.519 1.253 160 HG21 ILE 23 HG21 ILE 23 -0.228 2.834 2.615 161 HG22 ILE 23 HG22 ILE 23 0.625 1.729 3.628 162 HG23 ILE 23 HG23 ILE 23 0.494 1.364 1.840 163 HD11 ILE 23 HD11 ILE 23 3.451 5.233 1.505 164 HD12 ILE 23 HD12 ILE 23 2.856 5.243 -0.126 165 HD13 ILE 23 HD13 ILE 23 3.893 3.913 0.405 166 H ALA 24 H ALA 24 2.738 1.809 5.486 167 HA ALA 24 HA ALA 24 5.363 3.041 6.176 168 HB1 ALA 24 HB1 ALA 24 3.847 2.671 8.256 169 HB2 ALA 24 HB2 ALA 24 5.382 1.786 8.380 170 HB3 ALA 24 HB3 ALA 24 3.943 0.935 7.956 171 H GLY 25 H GLY 25 7.273 2.123 5.758 172 HA2 GLY 25 HA2 GLY 25 7.692 -0.705 5.098 173 HA3 GLY 25 HA3 GLY 25 7.909 0.397 3.752 174 H GLY 26 H GLY 26 9.990 -1.235 4.513 175 HA2 GLY 26 HA2 GLY 26 12.161 0.574 4.721 176 HA3 GLY 26 HA3 GLY 26 11.870 -0.012 6.328 177 H THR 27 H THR 27 13.765 -0.289 3.620 178 HA THR 27 HA THR 27 14.870 -2.857 4.539 179 HB THR 27 HB THR 27 16.754 -2.490 2.709 180 HG1 THR 27 HG1 THR 27 16.639 -0.783 1.600 181 HG21 THR 27 HG21 THR 27 13.954 -3.228 1.838 182 HG22 THR 27 HG22 THR 27 15.171 -4.298 2.532 183 HG23 THR 27 HG23 THR 27 15.423 -3.609 0.928 184 H ASP 28 H ASP 28 15.634 0.556 4.836 185 HA ASP 28 HA ASP 28 18.006 -0.090 6.432 186 HB2 ASP 28 HB2 ASP 28 17.508 2.541 4.918 187 HB3 ASP 28 HB3 ASP 28 18.717 2.457 6.182 188 H ASN 29 H ASN 29 14.933 1.703 6.527 189 HA ASN 29 HA ASN 29 15.182 2.523 9.357 190 HB2 ASN 29 HB2 ASN 29 13.345 3.655 7.169 191 HB3 ASN 29 HB3 ASN 29 13.060 4.008 8.859 192 HD21 ASN 29 HD21 ASN 29 15.054 4.642 6.063 193 HD22 ASN 29 HD22 ASN 29 15.932 5.980 6.712 194 HA PRO 30 HA PRO 30 12.089 -0.695 11.048 195 HB2 PRO 30 HB2 PRO 30 11.064 0.629 13.315 196 HB3 PRO 30 HB3 PRO 30 12.576 -0.257 13.236 197 HG2 PRO 30 HG2 PRO 30 12.156 2.708 13.042 198 HG3 PRO 30 HG3 PRO 30 13.406 1.810 13.915 199 HD2 PRO 30 HD2 PRO 30 13.894 3.030 11.582 200 HD3 PRO 30 HD3 PRO 30 14.679 1.503 12.018 201 H HIS 31 H HIS 31 9.816 -1.363 11.379 202 HA HIS 31 HA HIS 31 7.606 0.391 10.597 203 HB2 HIS 31 HB2 HIS 31 8.115 -1.428 8.820 204 HB3 HIS 31 HB3 HIS 31 7.880 -2.659 10.030 205 HD1 HIS 31 HD1 HIS 31 6.239 -1.299 7.203 206 HD2 HIS 31 HD2 HIS 31 4.789 -2.497 10.904 207 HE1 HIS 31 HE1 HIS 31 3.772 -1.714 6.910 208 HE2 HIS 31 HE2 HIS 31 2.971 -2.534 9.122 209 H ILE 32 H ILE 32 8.471 -2.593 12.675 210 HA ILE 32 HA ILE 32 6.312 -2.099 14.573 211 HB ILE 32 HB ILE 32 5.955 -3.991 12.667 212 HG12 ILE 32 HG12 ILE 32 4.868 -5.548 14.686 213 HG13 ILE 32 HG13 ILE 32 5.165 -3.921 15.357 214 HG21 ILE 32 HG21 ILE 32 7.860 -5.431 12.800 215 HG22 ILE 32 HG22 ILE 32 6.424 -6.380 13.186 216 HG23 ILE 32 HG23 ILE 32 7.503 -5.852 14.478 217 HD11 ILE 32 HD11 ILE 32 3.509 -4.411 12.853 218 HD12 ILE 32 HD12 ILE 32 3.747 -2.882 13.716 219 HD13 ILE 32 HD13 ILE 32 2.795 -4.173 14.470 220 H GLY 33 H GLY 33 9.118 -1.383 14.780 221 HA2 GLY 33 HA2 GLY 33 10.577 -1.518 16.942 222 HA3 GLY 33 HA3 GLY 33 10.481 -3.264 16.647 223 H ASP 34 H ASP 34 11.144 -3.888 14.325 224 HA ASP 34 HA ASP 34 12.895 -2.603 12.604 225 HB2 ASP 34 HB2 ASP 34 14.675 -3.004 14.575 226 HB3 ASP 34 HB3 ASP 34 14.556 -4.717 14.240 227 H ASP 35 H ASP 35 11.167 -3.362 11.363 228 HA ASP 35 HA ASP 35 11.174 -6.212 10.430 229 HB2 ASP 35 HB2 ASP 35 8.964 -5.141 11.404 230 HB3 ASP 35 HB3 ASP 35 8.852 -4.267 9.897 231 HA PRO 36 HA PRO 36 12.661 -4.964 6.066 232 HB2 PRO 36 HB2 PRO 36 12.090 -7.660 5.005 233 HB3 PRO 36 HB3 PRO 36 13.647 -6.880 5.268 234 HG2 PRO 36 HG2 PRO 36 12.829 -8.984 6.762 235 HG3 PRO 36 HG3 PRO 36 13.829 -7.687 7.442 236 HD2 PRO 36 HD2 PRO 36 10.846 -8.074 7.640 237 HD3 PRO 36 HD3 PRO 36 12.010 -7.713 8.937 238 H SER 37 H SER 37 9.269 -6.096 6.370 239 HA SER 37 HA SER 37 8.490 -5.711 3.539 240 HB2 SER 37 HB2 SER 37 7.003 -7.106 5.817 241 HB3 SER 37 HB3 SER 37 6.307 -6.886 4.216 242 HG SER 37 HG SER 37 7.794 -8.869 4.993 243 H ILE 38 H ILE 38 6.758 -4.436 2.668 244 HA ILE 38 HA ILE 38 5.796 -2.045 4.090 245 HB ILE 38 HB ILE 38 5.304 -2.719 1.013 246 HG12 ILE 38 HG12 ILE 38 6.992 -1.567 0.117 247 HG13 ILE 38 HG13 ILE 38 7.258 -0.362 1.268 248 HG21 ILE 38 HG21 ILE 38 3.765 -0.966 1.785 249 HG22 ILE 38 HG22 ILE 38 4.921 -0.294 0.615 250 HG23 ILE 38 HG23 ILE 38 5.163 -0.026 2.344 251 HD11 ILE 38 HD11 ILE 38 8.663 -2.266 2.459 252 HD12 ILE 38 HD12 ILE 38 9.259 -1.470 1.008 253 HD13 ILE 38 HD13 ILE 38 8.524 -3.084 0.881 254 H PHE 39 H PHE 39 3.710 -1.795 4.958 255 HA PHE 39 HA PHE 39 1.298 -3.267 4.076 256 HB2 PHE 39 HB2 PHE 39 1.839 -3.056 7.143 257 HB3 PHE 39 HB3 PHE 39 0.450 -3.784 6.418 258 HD1 PHE 39 HD1 PHE 39 1.480 -6.044 4.842 259 HD2 PHE 39 HD2 PHE 39 3.000 -4.383 8.426 260 HE1 PHE 39 HE1 PHE 39 2.530 -8.257 5.438 261 HE2 PHE 39 HE2 PHE 39 4.000 -6.452 9.081 262 HZ PHE 39 HZ PHE 39 3.793 -8.473 7.563 263 H ILE 40 H ILE 40 -0.911 -2.263 4.925 264 HA ILE 40 HA ILE 40 -0.895 0.619 5.352 265 HB ILE 40 HB ILE 40 -3.515 -0.906 5.560 266 HG12 ILE 40 HG12 ILE 40 -2.716 -2.090 3.470 267 HG13 ILE 40 HG13 ILE 40 -4.090 -1.101 3.086 268 HG21 ILE 40 HG21 ILE 40 -3.106 1.798 4.293 269 HG22 ILE 40 HG22 ILE 40 -3.831 1.405 5.862 270 HG23 ILE 40 HG23 ILE 40 -4.640 0.913 4.375 271 HD11 ILE 40 HD11 ILE 40 -2.615 0.513 2.069 272 HD12 ILE 40 HD12 ILE 40 -2.327 -1.099 1.284 273 HD13 ILE 40 HD13 ILE 40 -1.235 -0.420 2.572 274 H THR 41 H THR 41 -1.686 1.606 7.062 275 HA THR 41 HA THR 41 -2.264 0.431 9.661 276 HB THR 41 HB THR 41 -0.386 1.907 10.930 277 HG1 THR 41 HG1 THR 41 0.711 2.903 9.410 278 HG21 THR 41 HG21 THR 41 0.418 -0.713 9.623 279 HG22 THR 41 HG22 THR 41 -0.409 -0.545 11.177 280 HG23 THR 41 HG23 THR 41 1.249 0.036 10.982 281 H LYS 42 H LYS 42 -2.300 3.433 7.635 282 HA LYS 42 HA LYS 42 -4.176 4.593 9.579 283 HB2 LYS 42 HB2 LYS 42 -1.722 5.731 9.366 284 HB3 LYS 42 HB3 LYS 42 -2.389 6.444 7.924 285 HG2 LYS 42 HG2 LYS 42 -3.945 6.894 10.418 286 HG3 LYS 42 HG3 LYS 42 -2.339 7.635 10.329 287 HD2 LYS 42 HD2 LYS 42 -3.008 8.831 8.289 288 HD3 LYS 42 HD3 LYS 42 -4.586 8.034 8.339 289 HE2 LYS 42 HE2 LYS 42 -5.171 9.116 10.347 290 HE3 LYS 42 HE3 LYS 42 -3.520 9.740 10.565 291 HZ1 LYS 42 HZ1 LYS 42 -3.889 11.140 8.614 292 HZ2 LYS 42 HZ2 LYS 42 -5.061 11.454 9.792 293 HZ3 LYS 42 HZ3 LYS 42 -5.453 10.518 8.438 294 H ILE 43 H ILE 43 -6.164 5.039 8.850 295 HA ILE 43 HA ILE 43 -6.707 5.588 6.048 296 HB ILE 43 HB ILE 43 -8.447 3.785 7.904 297 HG12 ILE 43 HG12 ILE 43 -6.812 2.269 6.835 298 HG13 ILE 43 HG13 ILE 43 -8.327 1.874 6.182 299 HG21 ILE 43 HG21 ILE 43 -10.224 4.983 6.932 300 HG22 ILE 43 HG22 ILE 43 -10.285 3.352 6.229 301 HG23 ILE 43 HG23 ILE 43 -9.631 4.700 5.289 302 HD11 ILE 43 HD11 ILE 43 -6.589 1.753 4.422 303 HD12 ILE 43 HD12 ILE 43 -6.099 3.399 4.741 304 HD13 ILE 43 HD13 ILE 43 -7.666 3.105 3.991 305 H ILE 44 H ILE 44 -7.743 7.536 5.615 306 HA ILE 44 HA ILE 44 -8.797 9.226 7.722 307 HB ILE 44 HB ILE 44 -8.235 9.908 4.687 308 HG12 ILE 44 HG12 ILE 44 -6.575 11.660 5.554 309 HG13 ILE 44 HG13 ILE 44 -6.745 10.910 7.150 310 HG21 ILE 44 HG21 ILE 44 -8.573 12.300 5.011 311 HG22 ILE 44 HG22 ILE 44 -9.151 11.983 6.661 312 HG23 ILE 44 HG23 ILE 44 -10.070 11.368 5.264 313 HD11 ILE 44 HD11 ILE 44 -5.665 9.719 4.638 314 HD12 ILE 44 HD12 ILE 44 -5.842 8.907 6.194 315 HD13 ILE 44 HD13 ILE 44 -4.679 10.263 6.039 316 HA PRO 45 HA PRO 45 -13.319 7.963 7.348 317 HB2 PRO 45 HB2 PRO 45 -14.065 10.541 8.689 318 HB3 PRO 45 HB3 PRO 45 -14.398 8.885 9.196 319 HG2 PRO 45 HG2 PRO 45 -12.579 10.325 10.498 320 HG3 PRO 45 HG3 PRO 45 -12.266 8.615 10.145 321 HD2 PRO 45 HD2 PRO 45 -11.242 11.050 8.666 322 HD3 PRO 45 HD3 PRO 45 -10.322 9.649 9.223 323 H GLY 46 H GLY 46 -12.406 11.107 5.898 324 HA2 GLY 46 HA2 GLY 46 -14.690 11.050 3.995 325 HA3 GLY 46 HA3 GLY 46 -14.140 12.554 4.700 326 H GLY 47 H GLY 47 -11.926 9.901 3.423 327 HA2 GLY 47 HA2 GLY 47 -10.806 11.611 1.323 328 HA3 GLY 47 HA3 GLY 47 -10.176 10.081 1.879 329 H ALA 48 H ALA 48 -9.856 10.154 -0.614 330 HA ALA 48 HA ALA 48 -12.023 9.550 -2.427 331 HB1 ALA 48 HB1 ALA 48 -10.340 9.812 -4.227 332 HB2 ALA 48 HB2 ALA 48 -9.036 9.774 -3.033 333 HB3 ALA 48 HB3 ALA 48 -10.144 11.116 -3.049 334 H ALA 49 H ALA 49 -9.321 7.548 -1.028 335 HA ALA 49 HA ALA 49 -9.839 5.091 -2.507 336 HB1 ALA 49 HB1 ALA 49 -7.562 5.747 -1.896 337 HB2 ALA 49 HB2 ALA 49 -7.958 4.149 -1.286 338 HB3 ALA 49 HB3 ALA 49 -7.943 5.532 -0.183 339 H ALA 50 H ALA 50 -10.923 6.309 0.669 340 HA ALA 50 HA ALA 50 -11.865 3.826 1.855 341 HB1 ALA 50 HB1 ALA 50 -12.250 6.686 2.861 342 HB2 ALA 50 HB2 ALA 50 -10.898 5.646 3.286 343 HB3 ALA 50 HB3 ALA 50 -12.527 5.221 3.799 344 H GLN 51 H GLN 51 -13.524 6.768 0.348 345 HA GLN 51 HA GLN 51 -16.183 5.618 0.414 346 HB2 GLN 51 HB2 GLN 51 -15.304 8.393 -0.566 347 HB3 GLN 51 HB3 GLN 51 -16.977 7.868 -0.529 348 HG2 GLN 51 HG2 GLN 51 -16.578 7.583 2.045 349 HG3 GLN 51 HG3 GLN 51 -15.129 8.460 1.782 350 HE21 GLN 51 HE21 GLN 51 -16.140 10.622 -0.025 351 HE22 GLN 51 HE22 GLN 51 -17.187 11.622 0.917 352 H ASP 52 H ASP 52 -14.055 6.876 -2.446 353 HA ASP 52 HA ASP 52 -15.806 5.639 -4.414 354 HB2 ASP 52 HB2 ASP 52 -13.691 7.773 -4.541 355 HB3 ASP 52 HB3 ASP 52 -14.115 6.941 -6.007 356 H GLY 53 H GLY 53 -12.556 4.884 -3.127 357 HA2 GLY 53 HA2 GLY 53 -11.455 3.430 -5.424 358 HA3 GLY 53 HA3 GLY 53 -10.672 3.695 -3.893 359 H ARG 54 H ARG 54 -12.670 2.346 -2.178 360 HA ARG 54 HA ARG 54 -13.571 0.513 -1.329 361 HB2 ARG 54 HB2 ARG 54 -13.174 -0.757 -4.034 362 HB3 ARG 54 HB3 ARG 54 -13.581 -1.868 -2.742 363 HG2 ARG 54 HG2 ARG 54 -15.367 0.497 -3.533 364 HG3 ARG 54 HG3 ARG 54 -15.507 -1.063 -4.327 365 HD2 ARG 54 HD2 ARG 54 -16.125 -2.105 -2.151 366 HD3 ARG 54 HD3 ARG 54 -15.947 -0.545 -1.353 367 HE ARG 54 HE ARG 54 -17.834 -0.349 -3.477 368 HH11 ARG 54 HH11 ARG 54 -17.943 -1.632 -0.063 369 HH12 ARG 54 HH12 ARG 54 -19.661 -1.435 0.042 370 HH21 ARG 54 HH21 ARG 54 -20.058 -0.147 -3.197 371 HH22 ARG 54 HH22 ARG 54 -20.834 -0.605 -1.717 372 H LEU 55 H LEU 55 -10.687 1.267 -1.050 373 HA LEU 55 HA LEU 55 -9.350 -1.125 -0.113 374 HB2 LEU 55 HB2 LEU 55 -8.059 0.327 -1.505 375 HB3 LEU 55 HB3 LEU 55 -8.477 1.768 -0.616 376 HG LEU 55 HG LEU 55 -6.872 0.262 1.181 377 HD11 LEU 55 HD11 LEU 55 -5.678 0.032 -1.564 378 HD12 LEU 55 HD12 LEU 55 -6.218 -1.305 -0.544 379 HD13 LEU 55 HD13 LEU 55 -4.862 -0.292 -0.038 380 HD21 LEU 55 HD21 LEU 55 -6.017 2.366 -0.761 381 HD22 LEU 55 HD22 LEU 55 -5.386 2.129 0.903 382 HD23 LEU 55 HD23 LEU 55 -7.067 2.631 0.596 383 H ARG 56 H ARG 56 -9.253 -1.823 1.814 384 HA ARG 56 HA ARG 56 -9.735 -0.276 4.280 385 HB2 ARG 56 HB2 ARG 56 -10.258 -3.292 3.743 386 HB3 ARG 56 HB3 ARG 56 -10.150 -2.697 5.371 387 HG2 ARG 56 HG2 ARG 56 -12.122 -1.309 4.952 388 HG3 ARG 56 HG3 ARG 56 -12.214 -1.994 3.316 389 HD2 ARG 56 HD2 ARG 56 -12.249 -4.190 4.212 390 HD3 ARG 56 HD3 ARG 56 -12.079 -3.521 5.833 391 HE ARG 56 HE ARG 56 -14.415 -2.388 4.711 392 HH11 ARG 56 HH11 ARG 56 -13.769 -5.795 5.848 393 HH12 ARG 56 HH12 ARG 56 -15.450 -6.098 6.139 394 HH21 ARG 56 HH21 ARG 56 -16.556 -2.926 5.135 395 HH22 ARG 56 HH22 ARG 56 -17.000 -4.489 5.738 396 H VAL 57 H VAL 57 -8.346 -0.754 6.213 397 HA VAL 57 HA VAL 57 -5.530 -0.669 5.871 398 HB VAL 57 HB VAL 57 -7.255 0.149 7.598 399 HG11 VAL 57 HG11 VAL 57 -6.832 -0.761 9.951 400 HG12 VAL 57 HG12 VAL 57 -7.103 -2.268 8.946 401 HG13 VAL 57 HG13 VAL 57 -8.241 -0.879 8.876 402 HG21 VAL 57 HG21 VAL 57 -5.499 0.678 9.354 403 HG22 VAL 57 HG22 VAL 57 -5.547 1.248 7.683 404 HG23 VAL 57 HG23 VAL 57 -4.411 -0.064 8.119 405 H ASN 58 H ASN 58 -7.445 -3.464 6.263 406 HA ASN 58 HA ASN 58 -5.365 -5.358 6.869 407 HB2 ASN 58 HB2 ASN 58 -7.645 -5.165 8.020 408 HB3 ASN 58 HB3 ASN 58 -8.391 -5.845 6.592 409 HD21 ASN 58 HD21 ASN 58 -8.132 -8.128 6.183 410 HD22 ASN 58 HD22 ASN 58 -7.572 -9.230 7.390 411 H ASP 59 H ASP 59 -6.022 -3.829 3.842 412 HA ASP 59 HA ASP 59 -6.254 -6.194 2.127 413 HB2 ASP 59 HB2 ASP 59 -6.505 -3.260 1.560 414 HB3 ASP 59 HB3 ASP 59 -6.037 -4.294 0.215 415 H SER 60 H SER 60 -3.582 -3.968 2.962 416 HA SER 60 HA SER 60 -1.372 -3.722 2.507 417 HB2 SER 60 HB2 SER 60 -1.431 -6.727 3.006 418 HB3 SER 60 HB3 SER 60 0.068 -5.799 3.001 419 HG SER 60 HG SER 60 -1.469 -6.198 5.052 420 H ILE 61 H ILE 61 -0.017 -3.092 0.964 421 HA ILE 61 HA ILE 61 -0.341 -4.134 -1.764 422 HB ILE 61 HB ILE 61 1.476 -1.635 -1.092 423 HG12 ILE 61 HG12 ILE 61 -1.353 -1.190 -2.234 424 HG13 ILE 61 HG13 ILE 61 -1.206 -1.440 -0.512 425 HG21 ILE 61 HG21 ILE 61 1.161 -0.939 -3.505 426 HG22 ILE 61 HG22 ILE 61 0.177 -2.372 -3.785 427 HG23 ILE 61 HG23 ILE 61 1.878 -2.554 -3.396 428 HD11 ILE 61 HD11 ILE 61 0.164 0.667 -0.357 429 HD12 ILE 61 HD12 ILE 61 -1.428 0.969 -1.056 430 HD13 ILE 61 HD13 ILE 61 -0.014 0.877 -2.104 431 H LEU 62 H LEU 62 0.962 -5.526 -2.961 432 HA LEU 62 HA LEU 62 3.757 -6.065 -2.153 433 HB2 LEU 62 HB2 LEU 62 3.697 -8.073 -3.623 434 HB3 LEU 62 HB3 LEU 62 2.462 -8.174 -2.378 435 HG LEU 62 HG LEU 62 1.704 -7.470 -5.237 436 HD11 LEU 62 HD11 LEU 62 1.301 -9.829 -5.582 437 HD12 LEU 62 HD12 LEU 62 2.070 -10.174 -4.020 438 HD13 LEU 62 HD13 LEU 62 3.017 -9.462 -5.346 439 HD21 LEU 62 HD21 LEU 62 -0.029 -7.254 -3.486 440 HD22 LEU 62 HD22 LEU 62 0.238 -8.937 -3.035 441 HD23 LEU 62 HD23 LEU 62 -0.403 -8.542 -4.631 442 H PHE 63 H PHE 63 1.935 -4.875 -4.982 443 HA PHE 63 HA PHE 63 4.506 -3.812 -6.077 444 HB2 PHE 63 HB2 PHE 63 2.481 -5.394 -7.732 445 HB3 PHE 63 HB3 PHE 63 3.670 -4.332 -8.517 446 HD1 PHE 63 HD1 PHE 63 3.340 -7.434 -6.422 447 HD2 PHE 63 HD2 PHE 63 5.912 -5.087 -8.840 448 HE1 PHE 63 HE1 PHE 63 4.894 -9.283 -6.478 449 HE2 PHE 63 HE2 PHE 63 7.537 -6.752 -8.866 450 HZ PHE 63 HZ PHE 63 7.090 -9.013 -7.722 451 H VAL 64 H VAL 64 4.644 -1.687 -6.815 452 HA VAL 64 HA VAL 64 2.189 -0.398 -7.528 453 HB VAL 64 HB VAL 64 3.057 1.838 -6.849 454 HG11 VAL 64 HG11 VAL 64 1.018 1.124 -6.033 455 HG12 VAL 64 HG12 VAL 64 1.827 1.825 -4.627 456 HG13 VAL 64 HG13 VAL 64 1.743 0.065 -4.821 457 HG21 VAL 64 HG21 VAL 64 4.610 0.382 -4.682 458 HG22 VAL 64 HG22 VAL 64 4.057 2.051 -4.478 459 HG23 VAL 64 HG23 VAL 64 5.153 1.667 -5.789 460 H ASN 65 H ASN 65 1.799 0.966 -9.046 461 HA ASN 65 HA ASN 65 1.786 1.889 -10.932 462 HB2 ASN 65 HB2 ASN 65 4.375 3.026 -10.288 463 HB3 ASN 65 HB3 ASN 65 4.899 1.951 -11.415 464 HD21 ASN 65 HD21 ASN 65 4.885 4.939 -11.350 465 HD22 ASN 65 HD22 ASN 65 4.340 5.443 -12.911 466 H GLU 66 H GLU 66 4.764 -0.094 -11.487 467 HA GLU 66 HA GLU 66 3.677 -2.574 -12.459 468 HB2 GLU 66 HB2 GLU 66 4.114 -0.941 -14.616 469 HB3 GLU 66 HB3 GLU 66 5.807 -1.235 -14.299 470 HG2 GLU 66 HG2 GLU 66 5.458 -3.670 -14.771 471 HG3 GLU 66 HG3 GLU 66 3.755 -3.360 -15.073 472 H VAL 67 H VAL 67 5.615 -0.924 -10.235 473 HA VAL 67 HA VAL 67 8.098 -2.322 -10.422 474 HB VAL 67 HB VAL 67 9.250 -0.688 -9.227 475 HG11 VAL 67 HG11 VAL 67 7.516 0.940 -10.901 476 HG12 VAL 67 HG12 VAL 67 8.889 -0.172 -11.283 477 HG13 VAL 67 HG13 VAL 67 9.205 1.340 -10.355 478 HG21 VAL 67 HG21 VAL 67 6.837 0.971 -8.365 479 HG22 VAL 67 HG22 VAL 67 8.543 1.360 -7.962 480 HG23 VAL 67 HG23 VAL 67 7.785 -0.124 -7.332 481 H ASP 68 H ASP 68 9.376 -2.828 -8.631 482 HA ASP 68 HA ASP 68 7.963 -4.703 -7.174 483 HB2 ASP 68 HB2 ASP 68 11.001 -4.603 -7.636 484 HB3 ASP 68 HB3 ASP 68 10.332 -5.854 -6.603 485 H VAL 69 H VAL 69 7.196 -4.043 -5.267 486 HA VAL 69 HA VAL 69 8.757 -2.595 -3.235 487 HB VAL 69 HB VAL 69 6.187 -2.246 -4.345 488 HG11 VAL 69 HG11 VAL 69 4.932 -2.969 -2.335 489 HG12 VAL 69 HG12 VAL 69 4.727 -1.227 -2.525 490 HG13 VAL 69 HG13 VAL 69 5.877 -1.857 -1.320 491 HG21 VAL 69 HG21 VAL 69 7.654 -0.377 -2.605 492 HG22 VAL 69 HG22 VAL 69 6.310 0.082 -3.684 493 HG23 VAL 69 HG23 VAL 69 7.802 -0.616 -4.362 494 H ARG 70 H ARG 70 8.610 -5.367 -3.788 495 HA ARG 70 HA ARG 70 8.034 -6.972 -1.389 496 HB2 ARG 70 HB2 ARG 70 9.566 -7.659 -3.928 497 HB3 ARG 70 HB3 ARG 70 9.674 -8.732 -2.555 498 HG2 ARG 70 HG2 ARG 70 7.202 -9.071 -2.686 499 HG3 ARG 70 HG3 ARG 70 7.167 -8.029 -4.113 500 HD2 ARG 70 HD2 ARG 70 8.637 -9.565 -5.303 501 HD3 ARG 70 HD3 ARG 70 8.773 -10.581 -3.868 502 HE ARG 70 HE ARG 70 6.052 -10.408 -4.481 503 HH11 ARG 70 HH11 ARG 70 8.799 -12.027 -6.257 504 HH12 ARG 70 HH12 ARG 70 7.743 -13.185 -6.994 505 HH21 ARG 70 HH21 ARG 70 4.804 -11.977 -5.509 506 HH22 ARG 70 HH22 ARG 70 5.514 -13.149 -6.569 507 H GLU 71 H GLU 71 10.928 -4.954 -2.310 508 HA GLU 71 HA GLU 71 12.249 -5.129 0.124 509 HB2 GLU 71 HB2 GLU 71 13.509 -6.758 -2.111 510 HB3 GLU 71 HB3 GLU 71 14.521 -5.692 -1.173 511 HG2 GLU 71 HG2 GLU 71 13.949 -6.998 0.896 512 HG3 GLU 71 HG3 GLU 71 12.834 -7.988 -0.034 513 H VAL 72 H VAL 72 11.761 -2.998 0.100 514 HA VAL 72 HA VAL 72 13.731 -1.197 -0.995 515 HB VAL 72 HB VAL 72 12.263 0.559 -1.926 516 HG11 VAL 72 HG11 VAL 72 11.320 -0.180 -3.995 517 HG12 VAL 72 HG12 VAL 72 11.568 -1.838 -3.462 518 HG13 VAL 72 HG13 VAL 72 12.957 -0.754 -3.643 519 HG21 VAL 72 HG21 VAL 72 9.769 0.440 -2.387 520 HG22 VAL 72 HG22 VAL 72 10.196 0.519 -0.690 521 HG23 VAL 72 HG23 VAL 72 9.724 -1.037 -1.398 522 H THR 73 H THR 73 13.597 1.121 -0.015 523 HA THR 73 HA THR 73 12.884 1.280 2.836 524 HB THR 73 HB THR 73 13.528 3.853 2.455 525 HG1 THR 73 HG1 THR 73 14.545 4.467 0.725 526 HG21 THR 73 HG21 THR 73 15.925 3.465 2.744 527 HG22 THR 73 HG22 THR 73 15.679 1.744 2.374 528 HG23 THR 73 HG23 THR 73 14.912 2.482 3.800 529 H HIS 74 H HIS 74 11.465 3.086 3.749 530 HA HIS 74 HA HIS 74 8.800 3.165 2.713 531 HB2 HIS 74 HB2 HIS 74 8.080 4.894 4.467 532 HB3 HIS 74 HB3 HIS 74 9.042 3.591 5.120 533 HD1 HIS 74 HD1 HIS 74 8.969 7.346 4.796 534 HD2 HIS 74 HD2 HIS 74 11.578 4.461 6.274 535 HE1 HIS 74 HE1 HIS 74 10.645 8.607 6.219 536 HE2 HIS 74 HE2 HIS 74 12.240 6.845 7.043 537 H SER 75 H SER 75 11.099 5.845 2.498 538 HA SER 75 HA SER 75 9.751 7.785 0.899 539 HB2 SER 75 HB2 SER 75 12.076 8.740 0.339 540 HB3 SER 75 HB3 SER 75 11.759 8.552 2.064 541 HG SER 75 HG SER 75 13.878 7.772 0.943 542 H ALA 76 H ALA 76 11.607 4.964 -0.233 543 HA ALA 76 HA ALA 76 11.618 5.315 -3.078 544 HB1 ALA 76 HB1 ALA 76 12.510 3.004 -3.095 545 HB2 ALA 76 HB2 ALA 76 12.028 2.854 -1.388 546 HB3 ALA 76 HB3 ALA 76 13.281 3.995 -1.836 547 H ALA 77 H ALA 77 9.104 3.936 -0.833 548 HA ALA 77 HA ALA 77 7.432 2.766 -2.932 549 HB1 ALA 77 HB1 ALA 77 6.897 2.881 0.056 550 HB2 ALA 77 HB2 ALA 77 7.768 1.566 -0.757 551 HB3 ALA 77 HB3 ALA 77 6.071 1.836 -1.130 552 H VAL 78 H VAL 78 7.474 5.719 -0.869 553 HA VAL 78 HA VAL 78 4.910 6.960 -1.687 554 HB VAL 78 HB VAL 78 7.368 8.317 -0.242 555 HG11 VAL 78 HG11 VAL 78 5.928 10.126 0.601 556 HG12 VAL 78 HG12 VAL 78 4.541 9.430 -0.235 557 HG13 VAL 78 HG13 VAL 78 5.878 10.107 -1.176 558 HG21 VAL 78 HG21 VAL 78 6.131 8.159 1.863 559 HG22 VAL 78 HG22 VAL 78 6.359 6.559 1.118 560 HG23 VAL 78 HG23 VAL 78 4.796 7.396 0.985 561 H GLU 79 H GLU 79 8.301 7.323 -2.934 562 HA GLU 79 HA GLU 79 8.093 9.397 -4.849 563 HB2 GLU 79 HB2 GLU 79 10.113 7.233 -4.444 564 HB3 GLU 79 HB3 GLU 79 10.255 8.240 -5.870 565 HG2 GLU 79 HG2 GLU 79 10.317 10.263 -4.360 566 HG3 GLU 79 HG3 GLU 79 10.310 9.128 -3.011 567 H ALA 80 H ALA 80 7.279 5.988 -5.214 568 HA ALA 80 HA ALA 80 6.862 5.815 -8.071 569 HB1 ALA 80 HB1 ALA 80 5.802 3.652 -7.558 570 HB2 ALA 80 HB2 ALA 80 5.765 4.063 -5.844 571 HB3 ALA 80 HB3 ALA 80 7.311 3.821 -6.656 572 H LEU 81 H LEU 81 4.877 7.035 -5.314 573 HA LEU 81 HA LEU 81 2.402 7.279 -6.795 574 HB2 LEU 81 HB2 LEU 81 2.768 7.849 -3.811 575 HB3 LEU 81 HB3 LEU 81 1.259 7.730 -4.662 576 HG LEU 81 HG LEU 81 3.116 5.496 -3.776 577 HD11 LEU 81 HD11 LEU 81 1.244 4.606 -2.641 578 HD12 LEU 81 HD12 LEU 81 0.302 6.030 -3.150 579 HD13 LEU 81 HD13 LEU 81 1.742 6.222 -2.124 580 HD21 LEU 81 HD21 LEU 81 0.766 5.080 -5.677 581 HD22 LEU 81 HD22 LEU 81 1.604 3.771 -4.776 582 HD23 LEU 81 HD23 LEU 81 2.513 4.824 -5.890 583 H LYS 82 H LYS 82 4.905 9.357 -5.499 584 HA LYS 82 HA LYS 82 3.687 11.898 -6.183 585 HB2 LYS 82 HB2 LYS 82 6.407 11.158 -5.103 586 HB3 LYS 82 HB3 LYS 82 6.060 12.822 -5.529 587 HG2 LYS 82 HG2 LYS 82 4.180 12.845 -3.794 588 HG3 LYS 82 HG3 LYS 82 4.622 11.241 -3.286 589 HD2 LYS 82 HD2 LYS 82 5.693 12.540 -1.641 590 HD3 LYS 82 HD3 LYS 82 6.998 12.349 -2.788 591 HE2 LYS 82 HE2 LYS 82 7.057 14.656 -2.018 592 HE3 LYS 82 HE3 LYS 82 6.435 14.705 -3.658 593 HZ1 LYS 82 HZ1 LYS 82 5.200 16.192 -2.189 594 HZ2 LYS 82 HZ2 LYS 82 4.801 14.909 -1.163 595 HZ3 LYS 82 HZ3 LYS 82 4.182 14.955 -2.737 596 H GLU 83 H GLU 83 5.921 9.636 -7.828 597 HA GLU 83 HA GLU 83 6.670 11.420 -9.989 598 HB2 GLU 83 HB2 GLU 83 8.013 9.812 -11.062 599 HB3 GLU 83 HB3 GLU 83 7.980 9.675 -9.268 600 HG2 GLU 83 HG2 GLU 83 6.859 7.535 -9.358 601 HG3 GLU 83 HG3 GLU 83 6.572 7.671 -11.089 602 H ALA 84 H ALA 84 3.992 8.995 -10.117 603 HA ALA 84 HA ALA 84 3.592 8.983 -12.863 604 HB1 ALA 84 HB1 ALA 84 1.560 7.664 -12.373 605 HB2 ALA 84 HB2 ALA 84 1.622 8.244 -10.699 606 HB3 ALA 84 HB3 ALA 84 2.901 7.214 -11.306 607 H GLY 85 H GLY 85 2.596 11.290 -10.604 608 HA2 GLY 85 HA2 GLY 85 2.145 13.695 -10.983 609 HA3 GLY 85 HA3 GLY 85 1.724 13.074 -12.569 610 H SER 86 H SER 86 -0.455 11.455 -12.076 611 HA SER 86 HA SER 86 -2.708 13.108 -11.189 612 HB2 SER 86 HB2 SER 86 -1.939 14.066 -13.340 613 HB3 SER 86 HB3 SER 86 -2.274 12.564 -14.163 614 HG SER 86 HG SER 86 -4.382 13.872 -12.737 615 H ILE 87 H ILE 87 -1.479 10.110 -12.693 616 HA ILE 87 HA ILE 87 -3.858 8.542 -11.889 617 HB ILE 87 HB ILE 87 -2.570 8.140 -14.698 618 HG12 ILE 87 HG12 ILE 87 -4.021 10.120 -14.760 619 HG13 ILE 87 HG13 ILE 87 -4.659 8.957 -15.921 620 HG21 ILE 87 HG21 ILE 87 -4.309 6.457 -15.426 621 HG22 ILE 87 HG22 ILE 87 -4.821 6.427 -13.720 622 HG23 ILE 87 HG23 ILE 87 -3.177 5.935 -14.144 623 HD11 ILE 87 HD11 ILE 87 -6.594 8.615 -14.283 624 HD12 ILE 87 HD12 ILE 87 -6.463 10.324 -14.749 625 HD13 ILE 87 HD13 ILE 87 -5.813 9.756 -13.200 626 H VAL 88 H VAL 88 -3.279 7.420 -10.317 627 HA VAL 88 HA VAL 88 -0.815 5.807 -10.348 628 HB VAL 88 HB VAL 88 -2.012 6.130 -8.106 629 HG11 VAL 88 HG11 VAL 88 0.912 6.299 -8.521 630 HG12 VAL 88 HG12 VAL 88 0.507 7.640 -7.422 631 HG13 VAL 88 HG13 VAL 88 0.387 7.850 -9.173 632 HG21 VAL 88 HG21 VAL 88 -1.372 7.544 -6.356 633 HG22 VAL 88 HG22 VAL 88 -2.499 6.241 -6.730 634 HG23 VAL 88 HG23 VAL 88 -2.756 7.857 -7.403 635 H ARG 89 H ARG 89 -0.757 3.772 -10.316 636 HA ARG 89 HA ARG 89 -3.080 2.144 -9.541 637 HB2 ARG 89 HB2 ARG 89 -2.580 0.363 -11.489 638 HB3 ARG 89 HB3 ARG 89 -3.227 1.891 -11.986 639 HG2 ARG 89 HG2 ARG 89 -1.027 2.511 -12.843 640 HG3 ARG 89 HG3 ARG 89 -0.362 0.983 -12.234 641 HD2 ARG 89 HD2 ARG 89 -2.045 -0.203 -13.470 642 HD3 ARG 89 HD3 ARG 89 -2.618 1.308 -14.159 643 HE ARG 89 HE ARG 89 0.162 1.101 -14.717 644 HH11 ARG 89 HH11 ARG 89 -2.741 -0.566 -16.167 645 HH12 ARG 89 HH12 ARG 89 -1.912 -0.884 -17.654 646 HH21 ARG 89 HH21 ARG 89 1.108 0.618 -16.701 647 HH22 ARG 89 HH22 ARG 89 0.239 -0.217 -17.942 648 H LEU 90 H LEU 90 -3.021 1.029 -7.864 649 HA LEU 90 HA LEU 90 -0.632 -0.319 -6.799 650 HB2 LEU 90 HB2 LEU 90 -1.937 -0.312 -4.541 651 HB3 LEU 90 HB3 LEU 90 -1.489 1.295 -5.108 652 HG LEU 90 HG LEU 90 -3.534 1.535 -3.996 653 HD11 LEU 90 HD11 LEU 90 -4.582 1.372 -6.633 654 HD12 LEU 90 HD12 LEU 90 -3.951 2.754 -5.695 655 HD13 LEU 90 HD13 LEU 90 -5.412 1.902 -5.162 656 HD21 LEU 90 HD21 LEU 90 -5.280 0.028 -3.739 657 HD22 LEU 90 HD22 LEU 90 -3.684 -0.806 -3.618 658 HD23 LEU 90 HD23 LEU 90 -4.649 -0.967 -5.075 659 H TYR 91 H TYR 91 -0.452 -2.410 -6.175 660 HA TYR 91 HA TYR 91 -2.592 -4.374 -6.755 661 HB2 TYR 91 HB2 TYR 91 -0.420 -4.394 -8.380 662 HB3 TYR 91 HB3 TYR 91 0.372 -5.050 -7.025 663 HD1 TYR 91 HD1 TYR 91 -2.954 -6.111 -8.591 664 HD2 TYR 91 HD2 TYR 91 0.969 -7.234 -7.397 665 HE1 TYR 91 HE1 TYR 91 -3.496 -8.315 -9.162 666 HE2 TYR 91 HE2 TYR 91 0.513 -9.528 -7.984 667 HH TYR 91 HH TYR 91 -2.225 -10.449 -9.862 668 H VAL 92 H VAL 92 -3.461 -5.197 -5.118 669 HA VAL 92 HA VAL 92 -2.062 -5.607 -2.527 670 HB VAL 92 HB VAL 92 -4.225 -5.323 -1.249 671 HG11 VAL 92 HG11 VAL 92 -4.710 -2.964 -1.507 672 HG12 VAL 92 HG12 VAL 92 -3.838 -2.940 -3.019 673 HG13 VAL 92 HG13 VAL 92 -2.978 -3.308 -1.520 674 HG21 VAL 92 HG21 VAL 92 -6.399 -4.533 -2.385 675 HG22 VAL 92 HG22 VAL 92 -5.790 -6.182 -2.749 676 HG23 VAL 92 HG23 VAL 92 -5.578 -4.945 -3.946 677 H MET 93 H MET 93 -2.919 -7.202 -0.938 678 HA MET 93 HA MET 93 -3.506 -9.963 -1.969 679 HB2 MET 93 HB2 MET 93 -1.649 -11.089 -0.557 680 HB3 MET 93 HB3 MET 93 -1.024 -10.046 -1.807 681 HG2 MET 93 HG2 MET 93 -0.411 -8.349 -0.097 682 HG3 MET 93 HG3 MET 93 -1.071 -9.383 1.166 683 HE1 MET 93 HE1 MET 93 2.806 -9.578 1.767 684 HE2 MET 93 HE2 MET 93 1.239 -9.221 2.492 685 HE3 MET 93 HE3 MET 93 1.882 -8.177 1.224 686 H ARG 94 H ARG 94 -5.135 -11.045 -1.229 687 HA ARG 94 HA ARG 94 -6.069 -10.843 1.551 688 HB2 ARG 94 HB2 ARG 94 -7.842 -10.884 -0.988 689 HB3 ARG 94 HB3 ARG 94 -8.487 -11.287 0.588 690 HG2 ARG 94 HG2 ARG 94 -7.980 -8.953 1.356 691 HG3 ARG 94 HG3 ARG 94 -7.378 -8.577 -0.253 692 HD2 ARG 94 HD2 ARG 94 -9.582 -7.696 -0.200 693 HD3 ARG 94 HD3 ARG 94 -9.724 -9.194 -1.105 694 HE ARG 94 HE ARG 94 -10.328 -9.704 1.637 695 HH11 ARG 94 HH11 ARG 94 -12.165 -8.119 -1.079 696 HH12 ARG 94 HH12 ARG 94 -13.694 -8.433 -0.328 697 HH21 ARG 94 HH21 ARG 94 -12.372 -10.040 2.493 698 HH22 ARG 94 HH22 ARG 94 -13.800 -9.510 1.669 699 H ARG 95 H ARG 95 -6.955 -12.690 2.488 700 HA ARG 95 HA ARG 95 -5.688 -15.217 1.904 701 HB2 ARG 95 HB2 ARG 95 -7.347 -14.294 4.252 702 HB3 ARG 95 HB3 ARG 95 -7.072 -16.017 4.067 703 HG2 ARG 95 HG2 ARG 95 -4.636 -15.593 4.133 704 HG3 ARG 95 HG3 ARG 95 -4.954 -13.877 4.413 705 HD2 ARG 95 HD2 ARG 95 -6.175 -14.465 6.476 706 HD3 ARG 95 HD3 ARG 95 -5.823 -16.169 6.169 707 HE ARG 95 HE ARG 95 -3.364 -14.842 6.223 708 HH11 ARG 95 HH11 ARG 95 -5.758 -15.504 8.894 709 HH12 ARG 95 HH12 ARG 95 -4.528 -15.463 10.112 710 HH21 ARG 95 HH21 ARG 95 -1.877 -14.818 7.907 711 HH22 ARG 95 HH22 ARG 95 -2.360 -15.080 9.551 712 H LYS 96 H LYS 96 -6.324 -17.248 1.535 713 HA LYS 96 HA LYS 96 -8.377 -17.772 -0.377 714 HB2 LYS 96 HB2 LYS 96 -7.517 -20.230 -0.415 715 HB3 LYS 96 HB3 LYS 96 -6.339 -19.025 -0.823 716 HG2 LYS 96 HG2 LYS 96 -5.221 -19.326 1.326 717 HG3 LYS 96 HG3 LYS 96 -6.489 -20.423 1.897 718 HD2 LYS 96 HD2 LYS 96 -5.845 -22.019 0.099 719 HD3 LYS 96 HD3 LYS 96 -4.588 -20.909 -0.427 720 HE2 LYS 96 HE2 LYS 96 -4.645 -22.116 2.360 721 HE3 LYS 96 HE3 LYS 96 -3.861 -22.916 1.009 722 HZ1 LYS 96 HZ1 LYS 96 -2.264 -21.676 2.370 723 HZ2 LYS 96 HZ2 LYS 96 -3.112 -20.236 2.116 724 HZ3 LYS 96 HZ3 LYS 96 -2.345 -21.002 0.818 725 HA PRO 97 HA PRO 97 -12.194 -19.357 1.891 726 HB2 PRO 97 HB2 PRO 97 -12.970 -20.983 -0.503 727 HB3 PRO 97 HB3 PRO 97 -13.852 -19.672 0.281 728 HG2 PRO 97 HG2 PRO 97 -12.728 -19.291 -2.098 729 HG3 PRO 97 HG3 PRO 97 -12.653 -18.017 -0.866 730 HD2 PRO 97 HD2 PRO 97 -10.544 -20.024 -1.637 731 HD3 PRO 97 HD3 PRO 97 -10.386 -18.264 -1.441 732 HA PRO 98 HA PRO 98 -11.447 -23.681 3.793 733 HB2 PRO 98 HB2 PRO 98 -14.361 -23.932 4.475 734 HB3 PRO 98 HB3 PRO 98 -12.960 -23.970 5.547 735 HG2 PRO 98 HG2 PRO 98 -14.552 -21.846 5.534 736 HG3 PRO 98 HG3 PRO 98 -12.793 -21.628 5.610 737 HD2 PRO 98 HD2 PRO 98 -14.622 -21.399 3.226 738 HD3 PRO 98 HD3 PRO 98 -13.372 -20.263 3.781 739 H ALA 99 H ALA 99 -11.298 -25.868 3.280 740 HA ALA 99 HA ALA 99 -12.861 -26.994 1.051 741 HB1 ALA 99 HB1 ALA 99 -10.921 -28.408 0.437 742 HB2 ALA 99 HB2 ALA 99 -10.037 -27.862 1.859 743 HB3 ALA 99 HB3 ALA 99 -10.397 -26.726 0.562 744 H1 VAL 1 H1 VAL 1 7.109 0.139 21.439 745 H2 VAL 1 H2 VAL 1 8.753 0.264 21.069 746 H3 VAL 1 H3 VAL 1 8.165 -1.132 21.818 747 HA VAL 1 HA VAL 1 8.683 -1.211 19.378 748 HB VAL 1 HB VAL 1 6.658 -2.606 18.608 749 HG11 VAL 1 HG11 VAL 1 8.564 -3.631 19.353 750 HG12 VAL 1 HG12 VAL 1 7.178 -4.554 19.958 751 HG13 VAL 1 HG13 VAL 1 8.106 -3.499 21.054 752 HG21 VAL 1 HG21 VAL 1 5.659 -2.340 21.501 753 HG22 VAL 1 HG22 VAL 1 5.039 -3.495 20.315 754 HG23 VAL 1 HG23 VAL 1 4.821 -1.770 20.050 755 H VAL 2 H VAL 2 6.221 1.217 19.770 756 HA VAL 2 HA VAL 2 6.348 1.384 16.971 757 HB VAL 2 HB VAL 2 4.454 3.190 16.779 758 HG11 VAL 2 HG11 VAL 2 3.761 0.387 17.635 759 HG12 VAL 2 HG12 VAL 2 4.348 0.868 16.071 760 HG13 VAL 2 HG13 VAL 2 2.758 1.452 16.621 761 HG21 VAL 2 HG21 VAL 2 2.706 3.109 18.584 762 HG22 VAL 2 HG22 VAL 2 4.207 3.811 19.190 763 HG23 VAL 2 HG23 VAL 2 3.798 2.142 19.581 764 H SER 3 H SER 3 7.907 1.567 16.283 765 HA SER 3 HA SER 3 9.059 4.212 15.557 766 HB2 SER 3 HB2 SER 3 11.404 3.176 15.537 767 HB3 SER 3 HB3 SER 3 10.743 3.217 17.161 768 HG SER 3 HG SER 3 11.817 1.178 16.293 769 H GLU 4 H GLU 4 8.481 4.786 13.749 770 HA GLU 4 HA GLU 4 9.057 3.330 11.352 771 HB2 GLU 4 HB2 GLU 4 6.589 3.316 10.303 772 HB3 GLU 4 HB3 GLU 4 6.889 2.084 11.511 773 HG2 GLU 4 HG2 GLU 4 5.509 4.675 12.016 774 HG3 GLU 4 HG3 GLU 4 4.693 3.291 11.274 775 H ARG 5 H ARG 5 7.278 6.247 12.526 776 HA ARG 5 HA ARG 5 6.732 8.260 11.872 777 HB2 ARG 5 HB2 ARG 5 9.135 8.277 9.876 778 HB3 ARG 5 HB3 ARG 5 8.112 9.675 10.094 779 HG2 ARG 5 HG2 ARG 5 8.903 9.893 12.409 780 HG3 ARG 5 HG3 ARG 5 9.882 8.435 12.216 781 HD2 ARG 5 HD2 ARG 5 11.136 9.547 10.403 782 HD3 ARG 5 HD3 ARG 5 10.183 11.006 10.651 783 HE ARG 5 HE ARG 5 11.311 10.406 13.124 784 HH11 ARG 5 HH11 ARG 5 12.901 11.438 10.008 785 HH12 ARG 5 HH12 ARG 5 14.259 12.125 10.836 786 HH21 ARG 5 HH21 ARG 5 13.133 11.337 14.063 787 HH22 ARG 5 HH22 ARG 5 14.379 12.062 13.103 788 H ILE 6 H ILE 6 4.716 7.607 11.468 789 HA ILE 6 HA ILE 6 3.955 7.159 8.702 790 HB ILE 6 HB ILE 6 3.454 5.119 10.140 791 HG12 ILE 6 HG12 ILE 6 1.161 4.393 9.609 792 HG13 ILE 6 HG13 ILE 6 0.658 6.025 9.105 793 HG21 ILE 6 HG21 ILE 6 2.970 5.900 12.283 794 HG22 ILE 6 HG22 ILE 6 1.631 4.876 11.749 795 HG23 ILE 6 HG23 ILE 6 1.443 6.630 11.750 796 HD11 ILE 6 HD11 ILE 6 0.933 4.594 7.146 797 HD12 ILE 6 HD12 ILE 6 2.401 3.923 7.752 798 HD13 ILE 6 HD13 ILE 6 2.372 5.583 7.189 799 H SER 7 H SER 7 4.171 9.099 8.227 800 HA SER 7 HA SER 7 1.772 10.924 8.173 801 HB2 SER 7 HB2 SER 7 4.730 11.838 8.244 802 HB3 SER 7 HB3 SER 7 3.399 12.947 7.935 803 HG SER 7 HG SER 7 4.257 11.807 10.306 804 H SER 8 H SER 8 2.519 8.741 6.261 805 HA SER 8 HA SER 8 3.543 9.749 3.734 806 HB2 SER 8 HB2 SER 8 2.705 6.881 4.541 807 HB3 SER 8 HB3 SER 8 3.420 7.299 3.029 808 HG SER 8 HG SER 8 4.722 7.956 5.459 809 H VAL 9 H VAL 9 2.178 8.181 1.668 810 HA VAL 9 HA VAL 9 -0.504 9.461 1.320 811 HB VAL 9 HB VAL 9 1.398 8.974 -1.207 812 HG11 VAL 9 HG11 VAL 9 -0.818 11.017 -0.918 813 HG12 VAL 9 HG12 VAL 9 -0.905 9.490 -1.795 814 HG13 VAL 9 HG13 VAL 9 0.179 10.764 -2.351 815 HG21 VAL 9 HG21 VAL 9 1.365 11.665 0.249 816 HG22 VAL 9 HG22 VAL 9 2.154 11.341 -1.295 817 HG23 VAL 9 HG23 VAL 9 2.735 10.552 0.172 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 -2.638 -30.259 8.193 2 H2 GLY 1 H2 GLY 1 -1.723 -28.872 7.883 3 H3 GLY 1 H3 GLY 1 -1.751 -30.132 6.756 4 HA2 GLY 1 HA2 GLY 1 -4.111 -29.761 6.352 5 HA3 GLY 1 HA3 GLY 1 -4.079 -28.448 7.519 6 H ALA 2 H ALA 2 -3.162 -26.448 7.024 7 HA ALA 2 HA ALA 2 -2.818 -24.548 5.928 8 HB1 ALA 2 HB1 ALA 2 -0.447 -25.465 5.703 9 HB2 ALA 2 HB2 ALA 2 -0.862 -24.217 4.516 10 HB3 ALA 2 HB3 ALA 2 -0.850 -25.904 4.032 11 H MET 3 H MET 3 -3.893 -23.128 4.868 12 HA MET 3 HA MET 3 -5.100 -23.748 2.249 13 HB2 MET 3 HB2 MET 3 -6.311 -22.145 4.547 14 HB3 MET 3 HB3 MET 3 -6.816 -21.781 2.914 15 HG2 MET 3 HG2 MET 3 -8.459 -23.218 3.703 16 HG3 MET 3 HG3 MET 3 -7.439 -24.239 2.720 17 HE1 MET 3 HE1 MET 3 -9.550 -25.462 4.767 18 HE2 MET 3 HE2 MET 3 -8.606 -26.760 5.497 19 HE3 MET 3 HE3 MET 3 -8.485 -26.449 3.766 20 H GLU 4 H GLU 4 -5.249 -22.304 0.556 21 HA GLU 4 HA GLU 4 -3.033 -20.394 0.269 22 HB2 GLU 4 HB2 GLU 4 -4.755 -21.641 -1.971 23 HB3 GLU 4 HB3 GLU 4 -3.511 -20.441 -2.221 24 HG2 GLU 4 HG2 GLU 4 -1.753 -21.991 -1.493 25 HG3 GLU 4 HG3 GLU 4 -2.949 -23.215 -1.094 26 H MET 5 H MET 5 -3.256 -18.461 -1.230 27 HA MET 5 HA MET 5 -5.427 -16.668 -0.399 28 HB2 MET 5 HB2 MET 5 -3.761 -14.711 -0.617 29 HB3 MET 5 HB3 MET 5 -3.362 -15.842 0.654 30 HG2 MET 5 HG2 MET 5 -1.684 -16.825 -0.929 31 HG3 MET 5 HG3 MET 5 -1.970 -15.538 -2.049 32 HE1 MET 5 HE1 MET 5 0.214 -16.613 1.065 33 HE2 MET 5 HE2 MET 5 -1.065 -15.803 1.969 34 HE3 MET 5 HE3 MET 5 0.547 -15.096 1.903 35 H GLU 6 H GLU 6 -5.955 -14.798 -1.691 36 HA GLU 6 HA GLU 6 -5.962 -14.980 -4.607 37 HB2 GLU 6 HB2 GLU 6 -8.520 -14.456 -4.890 38 HB3 GLU 6 HB3 GLU 6 -8.170 -16.062 -4.320 39 HG2 GLU 6 HG2 GLU 6 -8.939 -15.407 -2.025 40 HG3 GLU 6 HG3 GLU 6 -9.215 -13.765 -2.582 41 H TYR 7 H TYR 7 -5.433 -13.280 -5.710 42 HA TYR 7 HA TYR 7 -4.853 -10.744 -4.284 43 HB2 TYR 7 HB2 TYR 7 -3.641 -11.758 -6.922 44 HB3 TYR 7 HB3 TYR 7 -3.174 -10.303 -6.122 45 HD1 TYR 7 HD1 TYR 7 -2.964 -14.068 -5.716 46 HD2 TYR 7 HD2 TYR 7 -1.491 -10.268 -4.516 47 HE1 TYR 7 HE1 TYR 7 -1.095 -15.189 -4.597 48 HE2 TYR 7 HE2 TYR 7 0.458 -11.379 -3.409 49 HH TYR 7 HH TYR 7 1.213 -14.659 -3.878 50 H GLU 8 H GLU 8 -5.199 -8.581 -5.078 51 HA GLU 8 HA GLU 8 -7.178 -8.199 -7.281 52 HB2 GLU 8 HB2 GLU 8 -8.227 -8.149 -4.803 53 HB3 GLU 8 HB3 GLU 8 -7.493 -6.567 -4.685 54 HG2 GLU 8 HG2 GLU 8 -8.964 -5.757 -6.538 55 HG3 GLU 8 HG3 GLU 8 -9.666 -7.361 -6.681 56 H GLU 9 H GLU 9 -6.793 -6.602 -8.760 57 HA GLU 9 HA GLU 9 -4.801 -4.533 -8.250 58 HB2 GLU 9 HB2 GLU 9 -4.354 -4.359 -10.804 59 HB3 GLU 9 HB3 GLU 9 -3.942 -5.893 -10.077 60 HG2 GLU 9 HG2 GLU 9 -5.927 -6.964 -11.166 61 HG3 GLU 9 HG3 GLU 9 -6.405 -5.415 -11.842 62 H ILE 10 H ILE 10 -5.384 -2.504 -7.839 63 HA ILE 10 HA ILE 10 -7.960 -1.394 -8.854 64 HB ILE 10 HB ILE 10 -6.560 -0.634 -6.161 65 HG12 ILE 10 HG12 ILE 10 -9.295 -1.969 -5.986 66 HG13 ILE 10 HG13 ILE 10 -7.946 -3.001 -6.417 67 HG21 ILE 10 HG21 ILE 10 -9.405 0.262 -7.063 68 HG22 ILE 10 HG22 ILE 10 -7.991 1.314 -6.901 69 HG23 ILE 10 HG23 ILE 10 -8.721 0.627 -5.463 70 HD11 ILE 10 HD11 ILE 10 -8.245 -3.230 -4.033 71 HD12 ILE 10 HD12 ILE 10 -8.387 -1.475 -3.836 72 HD13 ILE 10 HD13 ILE 10 -6.819 -2.186 -4.301 73 H THR 11 H THR 11 -8.097 0.672 -9.792 74 HA THR 11 HA THR 11 -5.738 2.410 -10.053 75 HB THR 11 HB THR 11 -7.402 3.481 -12.010 76 HG1 THR 11 HG1 THR 11 -8.500 1.230 -11.771 77 HG21 THR 11 HG21 THR 11 -5.026 3.270 -12.284 78 HG22 THR 11 HG22 THR 11 -5.816 2.584 -13.707 79 HG23 THR 11 HG23 THR 11 -5.140 1.517 -12.467 80 H LEU 12 H LEU 12 -5.557 4.216 -9.157 81 HA LEU 12 HA LEU 12 -7.843 5.912 -8.312 82 HB2 LEU 12 HB2 LEU 12 -5.386 5.095 -6.762 83 HB3 LEU 12 HB3 LEU 12 -5.755 6.770 -6.579 84 HG LEU 12 HG LEU 12 -6.494 5.706 -4.651 85 HD11 LEU 12 HD11 LEU 12 -8.124 7.286 -5.132 86 HD12 LEU 12 HD12 LEU 12 -8.914 5.898 -4.388 87 HD13 LEU 12 HD13 LEU 12 -9.041 6.154 -6.128 88 HD21 LEU 12 HD21 LEU 12 -6.439 3.381 -5.217 89 HD22 LEU 12 HD22 LEU 12 -7.896 3.534 -6.199 90 HD23 LEU 12 HD23 LEU 12 -7.988 3.739 -4.450 91 H GLU 13 H GLU 13 -7.780 8.195 -8.578 92 HA GLU 13 HA GLU 13 -5.486 9.315 -9.970 93 HB2 GLU 13 HB2 GLU 13 -6.913 11.318 -10.757 94 HB3 GLU 13 HB3 GLU 13 -7.418 9.791 -11.399 95 HG2 GLU 13 HG2 GLU 13 -8.773 11.147 -9.138 96 HG3 GLU 13 HG3 GLU 13 -9.164 11.580 -10.790 97 H ARG 14 H ARG 14 -4.198 10.966 -9.356 98 HA ARG 14 HA ARG 14 -3.572 11.026 -6.579 99 HB2 ARG 14 HB2 ARG 14 -1.984 11.183 -8.755 100 HB3 ARG 14 HB3 ARG 14 -2.176 12.903 -8.562 101 HG2 ARG 14 HG2 ARG 14 -1.008 11.214 -6.303 102 HG3 ARG 14 HG3 ARG 14 -0.005 11.692 -7.650 103 HD2 ARG 14 HD2 ARG 14 -1.440 13.683 -5.830 104 HD3 ARG 14 HD3 ARG 14 0.189 13.104 -5.517 105 HE ARG 14 HE ARG 14 -0.089 14.283 -8.151 106 HH11 ARG 14 HH11 ARG 14 0.662 15.449 -4.781 107 HH12 ARG 14 HH12 ARG 14 1.411 16.897 -5.365 108 HH21 ARG 14 HH21 ARG 14 0.913 16.201 -8.765 109 HH22 ARG 14 HH22 ARG 14 1.546 17.308 -7.593 110 H GLY 15 H GLY 15 -4.406 12.015 -4.993 111 HA2 GLY 15 HA2 GLY 15 -6.377 14.138 -5.108 112 HA3 GLY 15 HA3 GLY 15 -5.813 13.349 -3.665 113 H ASN 16 H ASN 16 -6.631 16.132 -4.228 114 HA ASN 16 HA ASN 16 -4.364 17.952 -3.928 115 HB2 ASN 16 HB2 ASN 16 -7.387 18.507 -3.943 116 HB3 ASN 16 HB3 ASN 16 -6.234 19.779 -3.609 117 HD21 ASN 16 HD21 ASN 16 -5.003 20.639 -5.349 118 HD22 ASN 16 HD22 ASN 16 -5.380 20.313 -7.004 119 H SER 17 H SER 17 -6.584 16.397 -1.626 120 HA SER 17 HA SER 17 -5.533 17.707 0.786 121 HB2 SER 17 HB2 SER 17 -7.701 15.560 0.454 122 HB3 SER 17 HB3 SER 17 -7.198 16.182 2.021 123 HG SER 17 HG SER 17 -8.235 18.016 1.637 124 H GLY 18 H GLY 18 -4.907 14.611 -1.054 125 HA2 GLY 18 HA2 GLY 18 -2.614 13.778 -0.939 126 HA3 GLY 18 HA3 GLY 18 -2.725 13.877 0.808 127 H LEU 19 H LEU 19 -4.785 12.529 -1.837 128 HA LEU 19 HA LEU 19 -5.921 10.758 -2.294 129 HB2 LEU 19 HB2 LEU 19 -3.319 9.542 -1.664 130 HB3 LEU 19 HB3 LEU 19 -4.610 8.320 -1.603 131 HG LEU 19 HG LEU 19 -3.542 8.068 -3.504 132 HD11 LEU 19 HD11 LEU 19 -4.676 8.769 -5.529 133 HD12 LEU 19 HD12 LEU 19 -5.732 9.726 -4.455 134 HD13 LEU 19 HD13 LEU 19 -5.565 7.968 -4.216 135 HD21 LEU 19 HD21 LEU 19 -3.104 10.969 -4.023 136 HD22 LEU 19 HD22 LEU 19 -2.513 9.583 -5.004 137 HD23 LEU 19 HD23 LEU 19 -2.026 9.771 -3.283 138 H GLY 20 H GLY 20 -5.339 10.408 1.172 139 HA2 GLY 20 HA2 GLY 20 -7.248 10.430 2.720 140 HA3 GLY 20 HA3 GLY 20 -8.152 9.490 1.560 141 H PHE 21 H PHE 21 -4.745 8.582 2.429 142 HA PHE 21 HA PHE 21 -5.290 6.778 4.541 143 HB2 PHE 21 HB2 PHE 21 -4.588 4.615 3.440 144 HB3 PHE 21 HB3 PHE 21 -5.912 5.267 2.555 145 HD1 PHE 21 HD1 PHE 21 -5.273 6.502 0.188 146 HD2 PHE 21 HD2 PHE 21 -2.684 3.786 2.239 147 HE1 PHE 21 HE1 PHE 21 -4.090 6.089 -1.918 148 HE2 PHE 21 HE2 PHE 21 -1.469 3.364 0.130 149 HZ PHE 21 HZ PHE 21 -2.168 4.506 -1.955 150 H SER 22 H SER 22 -2.944 5.787 5.449 151 HA SER 22 HA SER 22 -0.573 7.020 4.232 152 HB2 SER 22 HB2 SER 22 -1.049 6.934 7.258 153 HB3 SER 22 HB3 SER 22 0.490 7.303 6.467 154 HG SER 22 HG SER 22 -0.899 9.163 7.160 155 H ILE 23 H ILE 23 1.484 5.846 4.313 156 HA ILE 23 HA ILE 23 1.302 3.025 5.048 157 HB ILE 23 HB ILE 23 2.679 2.303 2.976 158 HG12 ILE 23 HG12 ILE 23 1.615 3.249 0.754 159 HG13 ILE 23 HG13 ILE 23 1.051 4.603 1.703 160 HG21 ILE 23 HG21 ILE 23 0.508 1.486 2.060 161 HG22 ILE 23 HG22 ILE 23 -0.165 2.828 3.086 162 HG23 ILE 23 HG23 ILE 23 0.706 1.549 3.868 163 HD11 ILE 23 HD11 ILE 23 2.917 5.347 0.344 164 HD12 ILE 23 HD12 ILE 23 3.926 3.997 0.834 165 HD13 ILE 23 HD13 ILE 23 3.518 5.267 1.999 166 H ALA 24 H ALA 24 2.549 1.670 5.842 167 HA ALA 24 HA ALA 24 5.144 2.747 6.803 168 HB1 ALA 24 HB1 ALA 24 3.414 2.464 8.632 169 HB2 ALA 24 HB2 ALA 24 4.869 1.493 8.894 170 HB3 ALA 24 HB3 ALA 24 3.423 0.722 8.304 171 H GLY 25 H GLY 25 6.941 1.897 6.196 172 HA2 GLY 25 HA2 GLY 25 7.726 -0.818 5.984 173 HA3 GLY 25 HA3 GLY 25 7.297 -0.246 4.382 174 H GLY 26 H GLY 26 9.793 -1.171 4.836 175 HA2 GLY 26 HA2 GLY 26 11.711 0.743 4.115 176 HA3 GLY 26 HA3 GLY 26 11.770 0.739 5.856 177 H THR 27 H THR 27 13.806 0.139 3.767 178 HA THR 27 HA THR 27 14.740 -2.518 4.650 179 HB THR 27 HB THR 27 16.797 -2.074 2.994 180 HG1 THR 27 HG1 THR 27 14.986 -0.379 1.694 181 HG21 THR 27 HG21 THR 27 14.068 -2.775 1.881 182 HG22 THR 27 HG22 THR 27 15.220 -3.882 2.616 183 HG23 THR 27 HG23 THR 27 15.600 -3.128 1.075 184 H ASP 28 H ASP 28 15.830 0.864 4.903 185 HA ASP 28 HA ASP 28 17.892 0.135 6.828 186 HB2 ASP 28 HB2 ASP 28 17.564 2.775 5.288 187 HB3 ASP 28 HB3 ASP 28 18.643 2.682 6.665 188 H ASN 29 H ASN 29 14.834 2.033 6.643 189 HA ASN 29 HA ASN 29 14.767 2.640 9.514 190 HB2 ASN 29 HB2 ASN 29 13.184 3.997 7.226 191 HB3 ASN 29 HB3 ASN 29 12.755 4.246 8.904 192 HD21 ASN 29 HD21 ASN 29 14.073 5.620 10.181 193 HD22 ASN 29 HD22 ASN 29 15.278 6.652 9.500 194 HA PRO 30 HA PRO 30 11.833 -1.098 9.886 195 HB2 PRO 30 HB2 PRO 30 11.703 -0.989 12.776 196 HB3 PRO 30 HB3 PRO 30 12.614 -2.060 11.751 197 HG2 PRO 30 HG2 PRO 30 13.744 -0.085 13.396 198 HG3 PRO 30 HG3 PRO 30 14.572 -1.004 12.135 199 HD2 PRO 30 HD2 PRO 30 13.607 1.817 12.078 200 HD3 PRO 30 HD3 PRO 30 14.898 1.028 11.175 201 H HIS 31 H HIS 31 9.698 -1.741 10.235 202 HA HIS 31 HA HIS 31 7.705 0.172 11.196 203 HB2 HIS 31 HB2 HIS 31 7.026 -0.463 8.921 204 HB3 HIS 31 HB3 HIS 31 7.462 -2.132 9.154 205 HD1 HIS 31 HD1 HIS 31 4.704 -0.020 10.951 206 HD2 HIS 31 HD2 HIS 31 5.119 -3.517 8.791 207 HE1 HIS 31 HE1 HIS 31 2.439 -1.125 11.014 208 HE2 HIS 31 HE2 HIS 31 2.755 -3.281 9.775 209 H ILE 32 H ILE 32 8.539 -3.405 11.677 210 HA ILE 32 HA ILE 32 6.682 -3.612 13.896 211 HB ILE 32 HB ILE 32 6.410 -4.984 11.705 212 HG12 ILE 32 HG12 ILE 32 5.923 -7.291 12.964 213 HG13 ILE 32 HG13 ILE 32 6.225 -6.205 14.341 214 HG21 ILE 32 HG21 ILE 32 7.427 -7.202 11.346 215 HG22 ILE 32 HG22 ILE 32 8.636 -6.802 12.566 216 HG23 ILE 32 HG23 ILE 32 8.516 -5.831 11.100 217 HD11 ILE 32 HD11 ILE 32 4.138 -5.673 12.211 218 HD12 ILE 32 HD12 ILE 32 4.397 -4.796 13.743 219 HD13 ILE 32 HD13 ILE 32 3.744 -6.443 13.775 220 H GLY 33 H GLY 33 10.015 -3.639 13.315 221 HA2 GLY 33 HA2 GLY 33 11.153 -3.750 15.888 222 HA3 GLY 33 HA3 GLY 33 11.186 -5.396 15.287 223 H ASP 34 H ASP 34 12.124 -5.551 12.875 224 HA ASP 34 HA ASP 34 14.208 -3.741 12.035 225 HB2 ASP 34 HB2 ASP 34 16.238 -5.370 12.191 226 HB3 ASP 34 HB3 ASP 34 15.570 -4.870 13.737 227 H ASP 35 H ASP 35 11.708 -5.347 10.792 228 HA ASP 35 HA ASP 35 12.806 -7.087 8.743 229 HB2 ASP 35 HB2 ASP 35 10.025 -6.639 9.799 230 HB3 ASP 35 HB3 ASP 35 10.229 -7.441 8.263 231 HA PRO 36 HA PRO 36 12.612 -4.403 4.902 232 HB2 PRO 36 HB2 PRO 36 12.410 -6.776 3.126 233 HB3 PRO 36 HB3 PRO 36 13.715 -5.604 3.284 234 HG2 PRO 36 HG2 PRO 36 14.018 -8.114 4.158 235 HG3 PRO 36 HG3 PRO 36 14.699 -6.750 5.066 236 HD2 PRO 36 HD2 PRO 36 12.124 -8.235 5.559 237 HD3 PRO 36 HD3 PRO 36 13.430 -7.867 6.710 238 H SER 37 H SER 37 9.705 -6.390 5.410 239 HA SER 37 HA SER 37 8.209 -5.748 3.002 240 HB2 SER 37 HB2 SER 37 6.308 -7.116 4.044 241 HB3 SER 37 HB3 SER 37 7.830 -7.981 3.900 242 HG SER 37 HG SER 37 7.538 -6.699 6.320 243 H ILE 38 H ILE 38 6.422 -4.429 2.490 244 HA ILE 38 HA ILE 38 5.721 -2.252 4.362 245 HB ILE 38 HB ILE 38 4.879 -2.038 1.409 246 HG12 ILE 38 HG12 ILE 38 7.123 -1.993 0.354 247 HG13 ILE 38 HG13 ILE 38 7.060 -0.440 0.954 248 HG21 ILE 38 HG21 ILE 38 5.490 0.266 3.202 249 HG22 ILE 38 HG22 ILE 38 3.945 -0.272 2.535 250 HG23 ILE 38 HG23 ILE 38 5.161 0.414 1.470 251 HD11 ILE 38 HD11 ILE 38 8.589 -0.804 2.746 252 HD12 ILE 38 HD12 ILE 38 9.267 -1.496 1.264 253 HD13 ILE 38 HD13 ILE 38 8.563 -2.551 2.476 254 H PHE 39 H PHE 39 3.693 -1.871 5.197 255 HA PHE 39 HA PHE 39 1.247 -3.397 4.464 256 HB2 PHE 39 HB2 PHE 39 2.315 -3.100 7.368 257 HB3 PHE 39 HB3 PHE 39 0.697 -3.615 7.012 258 HD1 PHE 39 HD1 PHE 39 0.490 -6.065 5.875 259 HD2 PHE 39 HD2 PHE 39 4.047 -4.628 7.753 260 HE1 PHE 39 HE1 PHE 39 1.249 -8.384 6.238 261 HE2 PHE 39 HE2 PHE 39 4.798 -6.921 8.117 262 HZ PHE 39 HZ PHE 39 3.408 -8.820 7.342 263 H ILE 40 H ILE 40 -0.931 -2.301 5.014 264 HA ILE 40 HA ILE 40 -0.962 0.552 5.580 265 HB ILE 40 HB ILE 40 -3.569 -1.020 5.677 266 HG12 ILE 40 HG12 ILE 40 -2.710 -2.088 3.564 267 HG13 ILE 40 HG13 ILE 40 -4.087 -1.100 3.188 268 HG21 ILE 40 HG21 ILE 40 -4.727 0.822 4.542 269 HG22 ILE 40 HG22 ILE 40 -3.224 1.751 4.530 270 HG23 ILE 40 HG23 ILE 40 -3.961 1.281 6.065 271 HD11 ILE 40 HD11 ILE 40 -1.182 -0.659 2.528 272 HD12 ILE 40 HD12 ILE 40 -2.363 0.616 2.530 273 HD13 ILE 40 HD13 ILE 40 -2.590 -0.781 1.382 274 H THR 41 H THR 41 -1.931 1.561 7.286 275 HA THR 41 HA THR 41 -2.685 0.365 9.818 276 HB THR 41 HB THR 41 -0.966 1.947 11.199 277 HG1 THR 41 HG1 THR 41 0.734 2.604 10.215 278 HG21 THR 41 HG21 THR 41 0.632 0.085 11.525 279 HG22 THR 41 HG22 THR 41 -0.036 -0.727 10.119 280 HG23 THR 41 HG23 THR 41 -1.040 -0.491 11.557 281 H LYS 42 H LYS 42 -2.495 3.391 7.826 282 HA LYS 42 HA LYS 42 -4.561 4.516 9.525 283 HB2 LYS 42 HB2 LYS 42 -2.551 5.879 9.953 284 HB3 LYS 42 HB3 LYS 42 -2.185 6.008 8.275 285 HG2 LYS 42 HG2 LYS 42 -2.795 8.230 9.319 286 HG3 LYS 42 HG3 LYS 42 -3.858 7.813 7.993 287 HD2 LYS 42 HD2 LYS 42 -5.605 7.371 9.373 288 HD3 LYS 42 HD3 LYS 42 -4.639 7.317 10.873 289 HE2 LYS 42 HE2 LYS 42 -4.148 9.707 10.520 290 HE3 LYS 42 HE3 LYS 42 -5.208 9.712 9.108 291 HZ1 LYS 42 HZ1 LYS 42 -7.074 9.133 10.574 292 HZ2 LYS 42 HZ2 LYS 42 -6.371 10.593 11.053 293 HZ3 LYS 42 HZ3 LYS 42 -6.048 9.176 11.920 294 H ILE 43 H ILE 43 -6.462 4.899 8.778 295 HA ILE 43 HA ILE 43 -6.925 5.525 6.004 296 HB ILE 43 HB ILE 43 -8.750 3.653 7.707 297 HG12 ILE 43 HG12 ILE 43 -7.054 2.206 6.706 298 HG13 ILE 43 HG13 ILE 43 -8.510 1.779 5.936 299 HG21 ILE 43 HG21 ILE 43 -10.453 4.866 6.691 300 HG22 ILE 43 HG22 ILE 43 -10.460 3.276 5.888 301 HG23 ILE 43 HG23 ILE 43 -9.731 4.690 5.088 302 HD11 ILE 43 HD11 ILE 43 -6.166 3.346 4.743 303 HD12 ILE 43 HD12 ILE 43 -7.654 3.140 3.840 304 HD13 ILE 43 HD13 ILE 43 -6.670 1.725 4.283 305 H ILE 44 H ILE 44 -7.797 7.525 5.724 306 HA ILE 44 HA ILE 44 -9.018 9.147 7.785 307 HB ILE 44 HB ILE 44 -8.254 9.822 4.807 308 HG12 ILE 44 HG12 ILE 44 -6.674 11.603 5.757 309 HG13 ILE 44 HG13 ILE 44 -6.996 10.927 7.363 310 HG21 ILE 44 HG21 ILE 44 -10.148 11.260 5.099 311 HG22 ILE 44 HG22 ILE 44 -8.673 12.232 5.010 312 HG23 ILE 44 HG23 ILE 44 -9.458 11.957 6.575 313 HD11 ILE 44 HD11 ILE 44 -5.956 8.898 6.643 314 HD12 ILE 44 HD12 ILE 44 -4.813 10.261 6.399 315 HD13 ILE 44 HD13 ILE 44 -5.738 9.554 5.029 316 HA PRO 45 HA PRO 45 -13.526 7.854 7.188 317 HB2 PRO 45 HB2 PRO 45 -14.318 10.379 8.608 318 HB3 PRO 45 HB3 PRO 45 -14.699 8.708 9.019 319 HG2 PRO 45 HG2 PRO 45 -12.930 10.050 10.475 320 HG3 PRO 45 HG3 PRO 45 -12.613 8.359 10.048 321 HD2 PRO 45 HD2 PRO 45 -11.505 10.861 8.760 322 HD3 PRO 45 HD3 PRO 45 -10.625 9.418 9.282 323 H GLY 46 H GLY 46 -12.551 11.059 5.937 324 HA2 GLY 46 HA2 GLY 46 -14.732 11.093 3.923 325 HA3 GLY 46 HA3 GLY 46 -14.212 12.564 4.715 326 H GLY 47 H GLY 47 -11.888 9.982 3.479 327 HA2 GLY 47 HA2 GLY 47 -10.707 11.758 1.470 328 HA3 GLY 47 HA3 GLY 47 -10.091 10.212 2.000 329 H ALA 48 H ALA 48 -9.690 10.399 -0.497 330 HA ALA 48 HA ALA 48 -11.802 9.799 -2.373 331 HB1 ALA 48 HB1 ALA 48 -10.107 10.192 -4.141 332 HB2 ALA 48 HB2 ALA 48 -8.815 10.142 -2.935 333 HB3 ALA 48 HB3 ALA 48 -9.955 11.450 -2.907 334 H ALA 49 H ALA 49 -9.063 7.807 -0.995 335 HA ALA 49 HA ALA 49 -9.600 5.403 -2.561 336 HB1 ALA 49 HB1 ALA 49 -7.699 4.387 -1.481 337 HB2 ALA 49 HB2 ALA 49 -7.666 5.644 -0.240 338 HB3 ALA 49 HB3 ALA 49 -7.287 6.044 -1.918 339 H ALA 50 H ALA 50 -10.852 6.524 0.501 340 HA ALA 50 HA ALA 50 -11.802 3.976 1.578 341 HB1 ALA 50 HB1 ALA 50 -12.516 5.267 3.575 342 HB2 ALA 50 HB2 ALA 50 -12.216 6.780 2.736 343 HB3 ALA 50 HB3 ALA 50 -10.869 5.727 3.139 344 H GLN 51 H GLN 51 -13.400 6.998 0.169 345 HA GLN 51 HA GLN 51 -16.050 5.817 0.099 346 HB2 GLN 51 HB2 GLN 51 -15.204 8.657 -0.728 347 HB3 GLN 51 HB3 GLN 51 -16.862 8.091 -0.757 348 HG2 GLN 51 HG2 GLN 51 -16.512 7.692 1.803 349 HG3 GLN 51 HG3 GLN 51 -15.095 8.660 1.616 350 HE21 GLN 51 HE21 GLN 51 -15.215 10.917 1.359 351 HE22 GLN 51 HE22 GLN 51 -16.681 11.814 1.534 352 H ASP 52 H ASP 52 -13.810 7.182 -2.609 353 HA ASP 52 HA ASP 52 -15.465 6.014 -4.694 354 HB2 ASP 52 HB2 ASP 52 -13.309 8.118 -4.660 355 HB3 ASP 52 HB3 ASP 52 -13.688 7.330 -6.169 356 H GLY 53 H GLY 53 -12.410 5.082 -3.155 357 HA2 GLY 53 HA2 GLY 53 -11.210 3.592 -5.402 358 HA3 GLY 53 HA3 GLY 53 -10.478 3.876 -3.848 359 H ARG 54 H ARG 54 -12.438 2.653 -2.105 360 HA ARG 54 HA ARG 54 -13.412 0.901 -1.181 361 HB2 ARG 54 HB2 ARG 54 -13.126 -0.508 -3.817 362 HB3 ARG 54 HB3 ARG 54 -13.583 -1.518 -2.452 363 HG2 ARG 54 HG2 ARG 54 -15.595 0.025 -2.145 364 HG3 ARG 54 HG3 ARG 54 -15.132 0.822 -3.648 365 HD2 ARG 54 HD2 ARG 54 -15.435 -1.275 -4.867 366 HD3 ARG 54 HD3 ARG 54 -15.841 -2.104 -3.363 367 HE ARG 54 HE ARG 54 -17.558 0.149 -3.851 368 HH11 ARG 54 HH11 ARG 54 -17.488 -3.370 -4.801 369 HH12 ARG 54 HH12 ARG 54 -19.187 -3.393 -5.143 370 HH21 ARG 54 HH21 ARG 54 -19.747 -0.029 -4.326 371 HH22 ARG 54 HH22 ARG 54 -20.442 -1.518 -4.874 372 H LEU 55 H LEU 55 -10.399 1.428 -1.141 373 HA LEU 55 HA LEU 55 -9.267 -0.987 -0.030 374 HB2 LEU 55 HB2 LEU 55 -7.776 0.146 -1.502 375 HB3 LEU 55 HB3 LEU 55 -8.146 1.725 -0.874 376 HG LEU 55 HG LEU 55 -6.626 0.144 1.091 377 HD11 LEU 55 HD11 LEU 55 -4.524 0.030 -0.115 378 HD12 LEU 55 HD12 LEU 55 -5.341 0.501 -1.611 379 HD13 LEU 55 HD13 LEU 55 -5.738 -1.030 -0.817 380 HD21 LEU 55 HD21 LEU 55 -6.926 2.536 1.077 381 HD22 LEU 55 HD22 LEU 55 -6.101 2.661 -0.456 382 HD23 LEU 55 HD23 LEU 55 -5.196 2.160 0.995 383 H ARG 56 H ARG 56 -9.164 -1.640 1.918 384 HA ARG 56 HA ARG 56 -9.480 0.006 4.356 385 HB2 ARG 56 HB2 ARG 56 -10.342 -2.926 3.817 386 HB3 ARG 56 HB3 ARG 56 -10.113 -2.384 5.451 387 HG2 ARG 56 HG2 ARG 56 -11.929 -0.790 5.141 388 HG3 ARG 56 HG3 ARG 56 -12.115 -1.351 3.468 389 HD2 ARG 56 HD2 ARG 56 -12.401 -3.581 4.229 390 HD3 ARG 56 HD3 ARG 56 -12.184 -3.057 5.892 391 HE ARG 56 HE ARG 56 -14.360 -1.602 4.735 392 HH11 ARG 56 HH11 ARG 56 -14.076 -4.993 6.050 393 HH12 ARG 56 HH12 ARG 56 -15.778 -5.101 6.354 394 HH21 ARG 56 HH21 ARG 56 -16.546 -1.886 5.184 395 HH22 ARG 56 HH22 ARG 56 -17.149 -3.360 5.865 396 H VAL 57 H VAL 57 -8.208 -0.729 6.347 397 HA VAL 57 HA VAL 57 -5.372 -0.941 6.119 398 HB VAL 57 HB VAL 57 -5.237 -1.538 8.680 399 HG11 VAL 57 HG11 VAL 57 -4.899 0.644 7.971 400 HG12 VAL 57 HG12 VAL 57 -5.882 0.692 9.449 401 HG13 VAL 57 HG13 VAL 57 -6.623 0.959 7.857 402 HG21 VAL 57 HG21 VAL 57 -7.174 -1.205 10.089 403 HG22 VAL 57 HG22 VAL 57 -7.512 -2.516 8.867 404 HG23 VAL 57 HG23 VAL 57 -8.140 -0.847 8.621 405 H ASN 58 H ASN 58 -7.526 -3.522 6.227 406 HA ASN 58 HA ASN 58 -5.640 -5.598 6.699 407 HB2 ASN 58 HB2 ASN 58 -7.636 -7.079 7.267 408 HB3 ASN 58 HB3 ASN 58 -7.717 -5.467 7.988 409 HD21 ASN 58 HD21 ASN 58 -9.216 -7.552 5.538 410 HD22 ASN 58 HD22 ASN 58 -10.709 -6.690 5.439 411 H ASP 59 H ASP 59 -6.090 -3.879 3.829 412 HA ASP 59 HA ASP 59 -6.337 -6.136 2.001 413 HB2 ASP 59 HB2 ASP 59 -6.501 -3.158 1.551 414 HB3 ASP 59 HB3 ASP 59 -6.102 -4.189 0.183 415 H SER 60 H SER 60 -3.680 -3.867 2.995 416 HA SER 60 HA SER 60 -1.477 -3.575 2.565 417 HB2 SER 60 HB2 SER 60 -1.448 -5.478 4.234 418 HB3 SER 60 HB3 SER 60 -1.388 -6.627 2.906 419 HG SER 60 HG SER 60 0.654 -5.506 4.172 420 H ILE 61 H ILE 61 -0.140 -2.874 1.019 421 HA ILE 61 HA ILE 61 -0.361 -3.939 -1.720 422 HB ILE 61 HB ILE 61 1.348 -1.367 -1.069 423 HG12 ILE 61 HG12 ILE 61 -1.547 -1.063 -2.135 424 HG13 ILE 61 HG13 ILE 61 -1.288 -1.230 -0.412 425 HG21 ILE 61 HG21 ILE 61 1.750 -2.304 -3.387 426 HG22 ILE 61 HG22 ILE 61 1.007 -0.714 -3.517 427 HG23 ILE 61 HG23 ILE 61 0.032 -2.161 -3.758 428 HD11 ILE 61 HD11 ILE 61 -1.648 1.137 -1.035 429 HD12 ILE 61 HD12 ILE 61 -0.301 1.043 -2.171 430 HD13 ILE 61 HD13 ILE 61 0.013 0.923 -0.439 431 H LEU 62 H LEU 62 0.970 -5.367 -2.733 432 HA LEU 62 HA LEU 62 3.757 -5.796 -1.830 433 HB2 LEU 62 HB2 LEU 62 3.764 -7.894 -3.219 434 HB3 LEU 62 HB3 LEU 62 2.497 -7.946 -2.002 435 HG LEU 62 HG LEU 62 1.807 -7.368 -4.899 436 HD11 LEU 62 HD11 LEU 62 3.176 -9.335 -4.914 437 HD12 LEU 62 HD12 LEU 62 1.464 -9.756 -5.168 438 HD13 LEU 62 HD13 LEU 62 2.221 -10.024 -3.593 439 HD21 LEU 62 HD21 LEU 62 0.033 -7.139 -3.192 440 HD22 LEU 62 HD22 LEU 62 0.330 -8.801 -2.683 441 HD23 LEU 62 HD23 LEU 62 -0.288 -8.471 -4.301 442 H PHE 63 H PHE 63 1.983 -4.788 -4.749 443 HA PHE 63 HA PHE 63 4.537 -3.737 -5.889 444 HB2 PHE 63 HB2 PHE 63 2.548 -5.470 -7.442 445 HB3 PHE 63 HB3 PHE 63 3.643 -4.408 -8.310 446 HD1 PHE 63 HD1 PHE 63 3.538 -7.347 -5.999 447 HD2 PHE 63 HD2 PHE 63 5.883 -5.101 -8.698 448 HE1 PHE 63 HE1 PHE 63 5.147 -9.148 -5.981 449 HE2 PHE 63 HE2 PHE 63 7.589 -6.752 -8.712 450 HZ PHE 63 HZ PHE 63 7.284 -8.915 -7.361 451 H VAL 64 H VAL 64 4.578 -1.646 -6.680 452 HA VAL 64 HA VAL 64 1.986 -0.369 -7.380 453 HB VAL 64 HB VAL 64 3.740 1.850 -6.536 454 HG11 VAL 64 HG11 VAL 64 1.523 2.306 -7.059 455 HG12 VAL 64 HG12 VAL 64 1.799 2.775 -5.384 456 HG13 VAL 64 HG13 VAL 64 0.913 1.274 -5.748 457 HG21 VAL 64 HG21 VAL 64 2.848 0.164 -4.139 458 HG22 VAL 64 HG22 VAL 64 3.388 1.853 -4.061 459 HG23 VAL 64 HG23 VAL 64 4.518 0.605 -4.577 460 H ASN 65 H ASN 65 1.728 0.835 -9.166 461 HA ASN 65 HA ASN 65 1.904 1.632 -11.200 462 HB2 ASN 65 HB2 ASN 65 4.193 2.959 -10.287 463 HB3 ASN 65 HB3 ASN 65 5.053 1.799 -11.219 464 HD21 ASN 65 HD21 ASN 65 2.989 4.635 -11.466 465 HD22 ASN 65 HD22 ASN 65 3.351 5.014 -13.112 466 H GLU 66 H GLU 66 2.677 -1.412 -10.508 467 HA GLU 66 HA GLU 66 3.210 -3.448 -11.141 468 HB2 GLU 66 HB2 GLU 66 3.858 -2.471 -14.032 469 HB3 GLU 66 HB3 GLU 66 4.116 -4.138 -13.566 470 HG2 GLU 66 HG2 GLU 66 1.683 -4.392 -13.161 471 HG3 GLU 66 HG3 GLU 66 1.433 -2.710 -13.603 472 H VAL 67 H VAL 67 5.258 -1.183 -10.168 473 HA VAL 67 HA VAL 67 7.779 -2.504 -10.437 474 HB VAL 67 HB VAL 67 8.959 -0.687 -9.748 475 HG11 VAL 67 HG11 VAL 67 6.826 0.768 -11.094 476 HG12 VAL 67 HG12 VAL 67 8.130 -0.360 -11.627 477 HG13 VAL 67 HG13 VAL 67 8.588 1.225 -10.921 478 HG21 VAL 67 HG21 VAL 67 8.007 -0.029 -7.539 479 HG22 VAL 67 HG22 VAL 67 6.774 0.966 -8.357 480 HG23 VAL 67 HG23 VAL 67 8.486 1.418 -8.454 481 H ASP 68 H ASP 68 9.271 -2.744 -8.744 482 HA ASP 68 HA ASP 68 8.042 -4.374 -6.914 483 HB2 ASP 68 HB2 ASP 68 10.318 -5.720 -6.545 484 HB3 ASP 68 HB3 ASP 68 9.511 -5.887 -8.084 485 H VAL 69 H VAL 69 7.459 -3.537 -5.161 486 HA VAL 69 HA VAL 69 9.093 -1.827 -3.458 487 HB VAL 69 HB VAL 69 6.384 -1.869 -4.271 488 HG11 VAL 69 HG11 VAL 69 6.208 -1.671 -1.276 489 HG12 VAL 69 HG12 VAL 69 5.291 -2.702 -2.392 490 HG13 VAL 69 HG13 VAL 69 4.996 -0.966 -2.371 491 HG21 VAL 69 HG21 VAL 69 7.764 0.215 -2.743 492 HG22 VAL 69 HG22 VAL 69 6.261 0.460 -3.698 493 HG23 VAL 69 HG23 VAL 69 7.770 -0.064 -4.511 494 H ARG 70 H ARG 70 8.505 -4.958 -3.591 495 HA ARG 70 HA ARG 70 8.248 -6.083 -0.922 496 HB2 ARG 70 HB2 ARG 70 7.961 -7.235 -3.314 497 HB3 ARG 70 HB3 ARG 70 9.661 -7.611 -3.170 498 HG2 ARG 70 HG2 ARG 70 9.162 -8.992 -1.151 499 HG3 ARG 70 HG3 ARG 70 7.451 -8.604 -1.326 500 HD2 ARG 70 HD2 ARG 70 7.442 -9.691 -3.534 501 HD3 ARG 70 HD3 ARG 70 9.153 -10.083 -3.345 502 HE ARG 70 HE ARG 70 7.688 -11.118 -1.141 503 HH11 ARG 70 HH11 ARG 70 8.156 -12.196 -4.595 504 HH12 ARG 70 HH12 ARG 70 7.767 -13.840 -4.213 505 HH21 ARG 70 HH21 ARG 70 7.206 -13.283 -0.798 506 HH22 ARG 70 HH22 ARG 70 7.239 -14.439 -2.087 507 H GLU 71 H GLU 71 11.044 -4.434 -2.179 508 HA GLU 71 HA GLU 71 12.746 -4.686 0.078 509 HB2 GLU 71 HB2 GLU 71 13.482 -6.885 -1.258 510 HB3 GLU 71 HB3 GLU 71 14.186 -5.805 -2.460 511 HG2 GLU 71 HG2 GLU 71 15.849 -5.060 -0.743 512 HG3 GLU 71 HG3 GLU 71 15.108 -6.135 0.434 513 H VAL 72 H VAL 72 12.127 -2.564 0.078 514 HA VAL 72 HA VAL 72 13.882 -0.612 -1.175 515 HB VAL 72 HB VAL 72 12.179 1.051 -1.913 516 HG11 VAL 72 HG11 VAL 72 11.104 0.220 -3.891 517 HG12 VAL 72 HG12 VAL 72 11.514 -1.413 -3.391 518 HG13 VAL 72 HG13 VAL 72 12.803 -0.241 -3.715 519 HG21 VAL 72 HG21 VAL 72 9.667 0.691 -2.114 520 HG22 VAL 72 HG22 VAL 72 10.270 0.816 -0.475 521 HG23 VAL 72 HG23 VAL 72 9.861 -0.782 -1.131 522 H THR 73 H THR 73 13.912 1.570 -0.080 523 HA THR 73 HA THR 73 13.284 1.716 2.770 524 HB THR 73 HB THR 73 13.901 4.308 2.375 525 HG1 THR 73 HG1 THR 73 14.070 4.553 0.266 526 HG21 THR 73 HG21 THR 73 16.048 2.189 2.292 527 HG22 THR 73 HG22 THR 73 15.284 2.935 3.720 528 HG23 THR 73 HG23 THR 73 16.293 3.912 2.652 529 H HIS 74 H HIS 74 11.987 3.531 3.813 530 HA HIS 74 HA HIS 74 9.233 3.769 3.391 531 HB2 HIS 74 HB2 HIS 74 10.570 4.339 5.535 532 HB3 HIS 74 HB3 HIS 74 11.018 5.860 4.821 533 HD1 HIS 74 HD1 HIS 74 9.459 7.845 5.361 534 HD2 HIS 74 HD2 HIS 74 7.750 4.200 6.451 535 HE1 HIS 74 HE1 HIS 74 7.459 8.432 6.793 536 HE2 HIS 74 HE2 HIS 74 6.428 6.213 7.410 537 H SER 75 H SER 75 11.562 6.462 2.480 538 HA SER 75 HA SER 75 9.775 8.189 1.044 539 HB2 SER 75 HB2 SER 75 11.891 8.975 2.160 540 HB3 SER 75 HB3 SER 75 12.846 8.159 0.921 541 HG SER 75 HG SER 75 11.763 10.633 0.897 542 H ALA 76 H ALA 76 11.731 5.400 -0.090 543 HA ALA 76 HA ALA 76 11.529 5.675 -2.953 544 HB1 ALA 76 HB1 ALA 76 12.617 3.472 -3.015 545 HB2 ALA 76 HB2 ALA 76 12.279 3.273 -1.289 546 HB3 ALA 76 HB3 ALA 76 13.412 4.513 -1.817 547 H ALA 77 H ALA 77 9.301 4.219 -0.454 548 HA ALA 77 HA ALA 77 7.592 2.908 -2.430 549 HB1 ALA 77 HB1 ALA 77 7.065 2.980 0.566 550 HB2 ALA 77 HB2 ALA 77 8.147 1.818 -0.224 551 HB3 ALA 77 HB3 ALA 77 6.446 1.815 -0.654 552 H VAL 78 H VAL 78 7.583 5.888 -0.457 553 HA VAL 78 HA VAL 78 4.945 6.993 -1.272 554 HB VAL 78 HB VAL 78 7.435 8.500 -0.029 555 HG11 VAL 78 HG11 VAL 78 6.016 10.384 0.644 556 HG12 VAL 78 HG12 VAL 78 4.589 9.553 0.038 557 HG13 VAL 78 HG13 VAL 78 5.803 10.159 -1.114 558 HG21 VAL 78 HG21 VAL 78 4.874 7.698 1.253 559 HG22 VAL 78 HG22 VAL 78 6.225 8.512 2.078 560 HG23 VAL 78 HG23 VAL 78 6.416 6.850 1.455 561 H GLU 79 H GLU 79 8.253 7.317 -2.696 562 HA GLU 79 HA GLU 79 7.992 9.152 -4.775 563 HB2 GLU 79 HB2 GLU 79 9.878 6.965 -4.216 564 HB3 GLU 79 HB3 GLU 79 9.947 7.632 -5.835 565 HG2 GLU 79 HG2 GLU 79 10.226 9.908 -4.847 566 HG3 GLU 79 HG3 GLU 79 10.266 9.135 -3.264 567 H ALA 80 H ALA 80 6.810 5.880 -4.750 568 HA ALA 80 HA ALA 80 6.470 5.390 -7.636 569 HB1 ALA 80 HB1 ALA 80 5.356 3.287 -6.893 570 HB2 ALA 80 HB2 ALA 80 5.365 3.889 -5.227 571 HB3 ALA 80 HB3 ALA 80 6.884 3.526 -6.030 572 H LEU 81 H LEU 81 4.598 6.915 -5.008 573 HA LEU 81 HA LEU 81 2.000 7.070 -6.305 574 HB2 LEU 81 HB2 LEU 81 3.015 7.795 -3.497 575 HB3 LEU 81 HB3 LEU 81 1.377 7.988 -3.990 576 HG LEU 81 HG LEU 81 2.321 6.191 -2.377 577 HD11 LEU 81 HD11 LEU 81 0.116 5.609 -4.343 578 HD12 LEU 81 HD12 LEU 81 -0.072 6.416 -2.771 579 HD13 LEU 81 HD13 LEU 81 0.295 4.673 -2.858 580 HD21 LEU 81 HD21 LEU 81 2.368 4.455 -4.826 581 HD22 LEU 81 HD22 LEU 81 2.263 3.820 -3.185 582 HD23 LEU 81 HD23 LEU 81 3.669 4.763 -3.676 583 H LYS 82 H LYS 82 4.716 9.182 -5.285 584 HA LYS 82 HA LYS 82 3.532 11.695 -6.127 585 HB2 LYS 82 HB2 LYS 82 6.175 11.006 -4.874 586 HB3 LYS 82 HB3 LYS 82 5.928 12.628 -5.487 587 HG2 LYS 82 HG2 LYS 82 3.953 12.885 -3.902 588 HG3 LYS 82 HG3 LYS 82 4.338 11.325 -3.198 589 HD2 LYS 82 HD2 LYS 82 6.492 12.154 -2.440 590 HD3 LYS 82 HD3 LYS 82 6.241 13.690 -3.274 591 HE2 LYS 82 HE2 LYS 82 4.323 14.155 -1.797 592 HE3 LYS 82 HE3 LYS 82 4.590 12.620 -0.974 593 HZ1 LYS 82 HZ1 LYS 82 5.545 14.460 0.261 594 HZ2 LYS 82 HZ2 LYS 82 6.504 14.893 -1.063 595 HZ3 LYS 82 HZ3 LYS 82 6.766 13.418 -0.278 596 H GLU 83 H GLU 83 5.877 9.413 -7.593 597 HA GLU 83 HA GLU 83 6.708 11.107 -9.783 598 HB2 GLU 83 HB2 GLU 83 8.079 9.462 -10.731 599 HB3 GLU 83 HB3 GLU 83 7.924 9.280 -8.944 600 HG2 GLU 83 HG2 GLU 83 6.722 7.199 -9.172 601 HG3 GLU 83 HG3 GLU 83 6.589 7.373 -10.918 602 H ALA 84 H ALA 84 3.961 8.781 -9.872 603 HA ALA 84 HA ALA 84 3.665 8.686 -12.653 604 HB1 ALA 84 HB1 ALA 84 1.626 7.402 -12.193 605 HB2 ALA 84 HB2 ALA 84 1.643 8.004 -10.528 606 HB3 ALA 84 HB3 ALA 84 2.933 6.954 -11.090 607 H GLY 85 H GLY 85 2.675 11.073 -10.499 608 HA2 GLY 85 HA2 GLY 85 2.301 13.481 -10.988 609 HA3 GLY 85 HA3 GLY 85 1.880 12.793 -12.547 610 H SER 86 H SER 86 -0.336 11.276 -12.050 611 HA SER 86 HA SER 86 -2.548 13.034 -11.282 612 HB2 SER 86 HB2 SER 86 -1.717 13.798 -13.476 613 HB3 SER 86 HB3 SER 86 -2.125 12.254 -14.202 614 HG SER 86 HG SER 86 -4.412 12.844 -13.345 615 H ILE 87 H ILE 87 -1.427 9.952 -12.757 616 HA ILE 87 HA ILE 87 -3.715 8.457 -11.602 617 HB ILE 87 HB ILE 87 -2.699 7.832 -14.469 618 HG12 ILE 87 HG12 ILE 87 -4.172 9.796 -14.637 619 HG13 ILE 87 HG13 ILE 87 -4.931 8.501 -15.532 620 HG21 ILE 87 HG21 ILE 87 -4.892 6.157 -13.242 621 HG22 ILE 87 HG22 ILE 87 -3.236 5.715 -13.527 622 HG23 ILE 87 HG23 ILE 87 -4.302 6.002 -14.928 623 HD11 ILE 87 HD11 ILE 87 -5.847 9.750 -12.850 624 HD12 ILE 87 HD12 ILE 87 -6.654 8.391 -13.574 625 HD13 ILE 87 HD13 ILE 87 -6.638 9.945 -14.407 626 H VAL 88 H VAL 88 -3.288 6.938 -10.363 627 HA VAL 88 HA VAL 88 -0.753 5.487 -10.367 628 HB VAL 88 HB VAL 88 -0.625 5.241 -7.879 629 HG11 VAL 88 HG11 VAL 88 -0.268 8.081 -8.811 630 HG12 VAL 88 HG12 VAL 88 0.932 6.801 -8.794 631 HG13 VAL 88 HG13 VAL 88 0.350 7.485 -7.279 632 HG21 VAL 88 HG21 VAL 88 -2.654 7.522 -7.547 633 HG22 VAL 88 HG22 VAL 88 -1.616 6.941 -6.242 634 HG23 VAL 88 HG23 VAL 88 -2.815 5.858 -6.959 635 H ARG 89 H ARG 89 -0.630 3.438 -10.451 636 HA ARG 89 HA ARG 89 -2.985 1.781 -9.901 637 HB2 ARG 89 HB2 ARG 89 -2.318 0.085 -11.794 638 HB3 ARG 89 HB3 ARG 89 -2.876 1.589 -12.410 639 HG2 ARG 89 HG2 ARG 89 -0.423 2.201 -12.804 640 HG3 ARG 89 HG3 ARG 89 -0.067 0.505 -12.447 641 HD2 ARG 89 HD2 ARG 89 -2.253 1.171 -14.206 642 HD3 ARG 89 HD3 ARG 89 -0.639 1.335 -14.956 643 HE ARG 89 HE ARG 89 -0.966 -1.275 -13.767 644 HH11 ARG 89 HH11 ARG 89 -2.254 0.211 -16.831 645 HH12 ARG 89 HH12 ARG 89 -2.491 -1.335 -17.574 646 HH21 ARG 89 HH21 ARG 89 -1.328 -3.211 -14.850 647 HH22 ARG 89 HH22 ARG 89 -1.971 -3.243 -16.458 648 H LEU 90 H LEU 90 -2.986 0.814 -8.142 649 HA LEU 90 HA LEU 90 -0.626 -0.444 -6.945 650 HB2 LEU 90 HB2 LEU 90 -1.843 -0.173 -4.666 651 HB3 LEU 90 HB3 LEU 90 -1.460 1.341 -5.433 652 HG LEU 90 HG LEU 90 -4.056 1.212 -6.105 653 HD11 LEU 90 HD11 LEU 90 -5.411 0.241 -4.278 654 HD12 LEU 90 HD12 LEU 90 -3.921 -0.476 -3.618 655 HD13 LEU 90 HD13 LEU 90 -4.503 -0.967 -5.202 656 HD21 LEU 90 HD21 LEU 90 -4.499 2.575 -4.131 657 HD22 LEU 90 HD22 LEU 90 -2.901 2.910 -4.847 658 HD23 LEU 90 HD23 LEU 90 -3.019 1.939 -3.384 659 H TYR 91 H TYR 91 -0.454 -2.437 -6.116 660 HA TYR 91 HA TYR 91 -2.527 -4.464 -6.678 661 HB2 TYR 91 HB2 TYR 91 -0.302 -4.501 -8.231 662 HB3 TYR 91 HB3 TYR 91 0.451 -5.093 -6.829 663 HD1 TYR 91 HD1 TYR 91 -2.788 -6.263 -8.479 664 HD2 TYR 91 HD2 TYR 91 1.096 -7.276 -7.081 665 HE1 TYR 91 HE1 TYR 91 -3.273 -8.475 -8.996 666 HE2 TYR 91 HE2 TYR 91 0.713 -9.585 -7.602 667 HH TYR 91 HH TYR 91 -1.241 -11.142 -7.985 668 H VAL 92 H VAL 92 -3.433 -5.177 -5.047 669 HA VAL 92 HA VAL 92 -2.098 -5.533 -2.422 670 HB VAL 92 HB VAL 92 -4.292 -5.263 -1.213 671 HG11 VAL 92 HG11 VAL 92 -4.864 -2.941 -1.577 672 HG12 VAL 92 HG12 VAL 92 -3.908 -2.955 -3.055 673 HG13 VAL 92 HG13 VAL 92 -3.122 -3.237 -1.498 674 HG21 VAL 92 HG21 VAL 92 -5.810 -6.225 -2.709 675 HG22 VAL 92 HG22 VAL 92 -5.603 -5.018 -3.945 676 HG23 VAL 92 HG23 VAL 92 -6.472 -4.590 -2.411 677 H MET 93 H MET 93 -2.927 -7.104 -0.849 678 HA MET 93 HA MET 93 -3.417 -9.868 -1.848 679 HB2 MET 93 HB2 MET 93 -1.664 -10.945 -0.252 680 HB3 MET 93 HB3 MET 93 -0.949 -9.934 -1.480 681 HG2 MET 93 HG2 MET 93 -0.484 -8.185 0.213 682 HG3 MET 93 HG3 MET 93 -1.253 -9.172 1.452 683 HE1 MET 93 HE1 MET 93 0.919 -8.969 2.970 684 HE2 MET 93 HE2 MET 93 1.704 -7.975 1.742 685 HE3 MET 93 HE3 MET 93 2.543 -9.370 2.420 686 H ARG 94 H ARG 94 -5.206 -10.827 -1.252 687 HA ARG 94 HA ARG 94 -6.414 -10.446 1.409 688 HB2 ARG 94 HB2 ARG 94 -7.592 -9.316 -0.715 689 HB3 ARG 94 HB3 ARG 94 -7.994 -10.940 -1.209 690 HG2 ARG 94 HG2 ARG 94 -9.433 -11.171 0.823 691 HG3 ARG 94 HG3 ARG 94 -9.013 -9.520 1.284 692 HD2 ARG 94 HD2 ARG 94 -10.010 -8.682 -0.790 693 HD3 ARG 94 HD3 ARG 94 -10.407 -10.330 -1.273 694 HE ARG 94 HE ARG 94 -11.574 -9.828 1.250 695 HH11 ARG 94 HH11 ARG 94 -12.405 -8.735 -2.132 696 HH12 ARG 94 HH12 ARG 94 -14.068 -8.475 -1.722 697 HH21 ARG 94 HH21 ARG 94 -13.757 -9.446 1.633 698 HH22 ARG 94 HH22 ARG 94 -14.813 -8.874 0.384 699 H ARG 95 H ARG 95 -7.361 -12.264 2.363 700 HA ARG 95 HA ARG 95 -6.555 -14.985 1.509 701 HB2 ARG 95 HB2 ARG 95 -6.974 -13.899 4.318 702 HB3 ARG 95 HB3 ARG 95 -7.141 -15.627 4.061 703 HG2 ARG 95 HG2 ARG 95 -4.850 -15.689 3.172 704 HG3 ARG 95 HG3 ARG 95 -4.665 -13.965 3.517 705 HD2 ARG 95 HD2 ARG 95 -5.082 -14.442 5.913 706 HD3 ARG 95 HD3 ARG 95 -5.210 -16.160 5.519 707 HE ARG 95 HE ARG 95 -2.720 -15.179 4.585 708 HH11 ARG 95 HH11 ARG 95 -3.969 -16.070 7.892 709 HH12 ARG 95 HH12 ARG 95 -2.372 -16.360 8.501 710 HH21 ARG 95 HH21 ARG 95 -0.714 -15.589 5.510 711 HH22 ARG 95 HH22 ARG 95 -0.558 -16.086 7.162 712 H LYS 96 H LYS 96 -7.750 -16.836 1.525 713 HA LYS 96 HA LYS 96 -10.432 -16.723 0.481 714 HB2 LYS 96 HB2 LYS 96 -8.603 -19.089 0.995 715 HB3 LYS 96 HB3 LYS 96 -10.276 -19.390 0.578 716 HG2 LYS 96 HG2 LYS 96 -9.948 -18.260 -1.586 717 HG3 LYS 96 HG3 LYS 96 -8.284 -17.876 -1.144 718 HD2 LYS 96 HD2 LYS 96 -7.684 -20.227 -1.108 719 HD3 LYS 96 HD3 LYS 96 -9.357 -20.719 -1.360 720 HE2 LYS 96 HE2 LYS 96 -8.295 -21.012 -3.470 721 HE3 LYS 96 HE3 LYS 96 -9.181 -19.505 -3.632 722 HZ1 LYS 96 HZ1 LYS 96 -6.959 -19.343 -4.603 723 HZ2 LYS 96 HZ2 LYS 96 -6.242 -19.753 -3.127 724 HZ3 LYS 96 HZ3 LYS 96 -7.083 -18.296 -3.278 725 HA PRO 97 HA PRO 97 -13.378 -17.061 4.119 726 HB2 PRO 97 HB2 PRO 97 -15.483 -17.962 2.190 727 HB3 PRO 97 HB3 PRO 97 -15.507 -16.618 3.335 728 HG2 PRO 97 HG2 PRO 97 -15.230 -16.119 0.754 729 HG3 PRO 97 HG3 PRO 97 -14.231 -15.238 1.928 730 HD2 PRO 97 HD2 PRO 97 -13.494 -17.613 0.231 731 HD3 PRO 97 HD3 PRO 97 -12.609 -16.088 0.453 732 HA PRO 98 HA PRO 98 -15.053 -22.147 3.589 733 HB2 PRO 98 HB2 PRO 98 -12.707 -23.667 2.901 734 HB3 PRO 98 HB3 PRO 98 -14.196 -23.494 1.977 735 HG2 PRO 98 HG2 PRO 98 -11.629 -21.976 1.753 736 HG3 PRO 98 HG3 PRO 98 -12.754 -22.467 0.477 737 HD2 PRO 98 HD2 PRO 98 -12.653 -19.942 1.232 738 HD3 PRO 98 HD3 PRO 98 -14.231 -20.705 0.945 739 H ALA 99 H ALA 99 -11.754 -21.326 4.937 740 HA ALA 99 HA ALA 99 -10.522 -21.738 6.728 741 HB1 ALA 99 HB1 ALA 99 -11.380 -21.211 8.949 742 HB2 ALA 99 HB2 ALA 99 -13.009 -21.716 8.508 743 HB3 ALA 99 HB3 ALA 99 -12.319 -20.263 7.789 744 H1 VAL 1 H1 VAL 1 1.609 -2.408 17.363 745 H2 VAL 1 H2 VAL 1 1.658 -0.823 17.951 746 H3 VAL 1 H3 VAL 1 2.516 -2.045 18.745 747 HA VAL 1 HA VAL 1 4.086 -2.243 17.117 748 HB VAL 1 HB VAL 1 2.226 -2.059 15.342 749 HG11 VAL 1 HG11 VAL 1 2.073 -0.218 13.735 750 HG12 VAL 1 HG12 VAL 1 2.806 0.809 14.965 751 HG13 VAL 1 HG13 VAL 1 1.282 -0.013 15.301 752 HG21 VAL 1 HG21 VAL 1 3.797 -1.778 13.369 753 HG22 VAL 1 HG22 VAL 1 4.290 -2.931 14.600 754 HG23 VAL 1 HG23 VAL 1 5.053 -1.370 14.533 755 H VAL 2 H VAL 2 5.873 -1.588 17.246 756 HA VAL 2 HA VAL 2 6.304 0.467 19.290 757 HB VAL 2 HB VAL 2 6.516 -1.976 19.835 758 HG11 VAL 2 HG11 VAL 2 7.455 -3.132 18.075 759 HG12 VAL 2 HG12 VAL 2 8.473 -3.432 19.477 760 HG13 VAL 2 HG13 VAL 2 9.008 -2.308 18.224 761 HG21 VAL 2 HG21 VAL 2 9.032 -0.441 20.576 762 HG22 VAL 2 HG22 VAL 2 8.548 -1.955 21.341 763 HG23 VAL 2 HG23 VAL 2 7.519 -0.529 21.486 764 H SER 3 H SER 3 7.207 0.340 15.883 765 HA SER 3 HA SER 3 9.980 1.469 16.304 766 HB2 SER 3 HB2 SER 3 9.062 -0.227 13.994 767 HB3 SER 3 HB3 SER 3 10.600 0.629 14.024 768 HG SER 3 HG SER 3 10.102 -0.863 16.281 769 H GLU 4 H GLU 4 7.041 2.469 14.604 770 HA GLU 4 HA GLU 4 8.472 4.652 13.186 771 HB2 GLU 4 HB2 GLU 4 7.004 4.342 11.210 772 HB3 GLU 4 HB3 GLU 4 7.485 2.748 11.744 773 HG2 GLU 4 HG2 GLU 4 4.819 4.106 11.789 774 HG3 GLU 4 HG3 GLU 4 5.387 2.700 10.867 775 H ARG 5 H ARG 5 6.904 6.596 12.396 776 HA ARG 5 HA ARG 5 5.319 7.676 14.614 777 HB2 ARG 5 HB2 ARG 5 5.791 10.068 13.767 778 HB3 ARG 5 HB3 ARG 5 7.211 9.225 14.299 779 HG2 ARG 5 HG2 ARG 5 6.546 9.618 11.317 780 HG3 ARG 5 HG3 ARG 5 7.426 10.814 12.237 781 HD2 ARG 5 HD2 ARG 5 8.394 7.950 11.779 782 HD3 ARG 5 HD3 ARG 5 8.845 9.303 10.753 783 HE ARG 5 HE ARG 5 9.558 9.966 13.406 784 HH11 ARG 5 HH11 ARG 5 10.946 7.563 11.044 785 HH12 ARG 5 HH12 ARG 5 12.498 7.592 11.810 786 HH21 ARG 5 HH21 ARG 5 11.619 9.904 14.294 787 HH22 ARG 5 HH22 ARG 5 12.866 8.904 13.626 788 H ILE 6 H ILE 6 5.047 7.171 11.055 789 HA ILE 6 HA ILE 6 3.592 7.160 9.536 790 HB ILE 6 HB ILE 6 2.275 5.926 11.645 791 HG12 ILE 6 HG12 ILE 6 3.041 4.517 9.830 792 HG13 ILE 6 HG13 ILE 6 1.404 4.080 10.220 793 HG21 ILE 6 HG21 ILE 6 -0.121 7.133 10.568 794 HG22 ILE 6 HG22 ILE 6 0.482 6.950 12.214 795 HG23 ILE 6 HG23 ILE 6 -0.130 5.544 11.344 796 HD11 ILE 6 HD11 ILE 6 0.655 5.147 7.983 797 HD12 ILE 6 HD12 ILE 6 1.789 3.899 7.693 798 HD13 ILE 6 HD13 ILE 6 2.318 5.546 7.661 799 H SER 7 H SER 7 4.021 8.766 8.494 800 HA SER 7 HA SER 7 2.175 11.133 8.356 801 HB2 SER 7 HB2 SER 7 5.251 11.290 8.286 802 HB3 SER 7 HB3 SER 7 4.216 12.654 7.880 803 HG SER 7 HG SER 7 3.735 11.398 10.321 804 H SER 8 H SER 8 2.869 8.580 6.480 805 HA SER 8 HA SER 8 3.760 9.563 3.889 806 HB2 SER 8 HB2 SER 8 2.884 6.708 4.686 807 HB3 SER 8 HB3 SER 8 3.609 7.193 3.181 808 HG SER 8 HG SER 8 4.873 7.551 5.692 809 H VAL 9 H VAL 9 2.499 8.311 1.751 810 HA VAL 9 HA VAL 9 -0.349 9.210 1.615 811 HB VAL 9 HB VAL 9 1.344 8.897 -1.082 812 HG11 VAL 9 HG11 VAL 9 -1.004 9.242 -1.398 813 HG12 VAL 9 HG12 VAL 9 -0.089 10.602 -2.046 814 HG13 VAL 9 HG13 VAL 9 -0.943 10.767 -0.513 815 HG21 VAL 9 HG21 VAL 9 1.970 11.295 -1.202 816 HG22 VAL 9 HG22 VAL 9 2.738 10.546 0.197 817 HG23 VAL 9 HG23 VAL 9 1.321 11.572 0.417 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 -10.597 -30.308 4.555 2 H2 GLY 1 H2 GLY 1 -10.217 -28.847 3.792 3 H3 GLY 1 H3 GLY 1 -9.702 -29.130 5.377 4 HA2 GLY 1 HA2 GLY 1 -8.268 -30.929 4.629 5 HA3 GLY 1 HA3 GLY 1 -8.801 -30.637 2.980 6 H ALA 2 H ALA 2 -7.932 -29.004 1.747 7 HA ALA 2 HA ALA 2 -5.649 -27.441 2.812 8 HB1 ALA 2 HB1 ALA 2 -4.638 -27.484 0.542 9 HB2 ALA 2 HB2 ALA 2 -6.058 -28.307 -0.097 10 HB3 ALA 2 HB3 ALA 2 -5.013 -29.132 1.057 11 H MET 3 H MET 3 -5.578 -25.270 2.828 12 HA MET 3 HA MET 3 -7.614 -23.651 1.419 13 HB2 MET 3 HB2 MET 3 -6.533 -23.267 4.232 14 HB3 MET 3 HB3 MET 3 -7.053 -21.844 3.349 15 HG2 MET 3 HG2 MET 3 -9.282 -22.696 3.170 16 HG3 MET 3 HG3 MET 3 -8.798 -24.250 3.828 17 HE1 MET 3 HE1 MET 3 -11.311 -22.586 4.920 18 HE2 MET 3 HE2 MET 3 -11.092 -22.731 6.664 19 HE3 MET 3 HE3 MET 3 -10.801 -24.123 5.620 20 H GLU 4 H GLU 4 -7.221 -22.162 0.049 21 HA GLU 4 HA GLU 4 -4.533 -21.148 -0.364 22 HB2 GLU 4 HB2 GLU 4 -4.971 -20.867 -2.891 23 HB3 GLU 4 HB3 GLU 4 -4.785 -22.503 -2.313 24 HG2 GLU 4 HG2 GLU 4 -7.243 -22.801 -2.460 25 HG3 GLU 4 HG3 GLU 4 -7.409 -21.150 -3.045 26 H MET 5 H MET 5 -4.109 -19.077 -1.507 27 HA MET 5 HA MET 5 -5.776 -16.893 -0.499 28 HB2 MET 5 HB2 MET 5 -3.681 -15.371 -0.717 29 HB3 MET 5 HB3 MET 5 -3.540 -16.641 0.474 30 HG2 MET 5 HG2 MET 5 -2.301 -17.913 -1.252 31 HG3 MET 5 HG3 MET 5 -2.241 -16.490 -2.252 32 HE1 MET 5 HE1 MET 5 0.433 -18.069 -1.212 33 HE2 MET 5 HE2 MET 5 1.488 -16.715 -0.808 34 HE3 MET 5 HE3 MET 5 0.506 -16.661 -2.271 35 H GLU 6 H GLU 6 -6.130 -14.990 -1.541 36 HA GLU 6 HA GLU 6 -6.328 -14.912 -4.477 37 HB2 GLU 6 HB2 GLU 6 -8.812 -14.071 -4.579 38 HB3 GLU 6 HB3 GLU 6 -8.608 -15.748 -4.163 39 HG2 GLU 6 HG2 GLU 6 -9.162 -15.195 -1.771 40 HG3 GLU 6 HG3 GLU 6 -9.338 -13.503 -2.211 41 H TYR 7 H TYR 7 -5.751 -13.256 -5.606 42 HA TYR 7 HA TYR 7 -4.937 -10.775 -4.202 43 HB2 TYR 7 HB2 TYR 7 -3.914 -11.806 -6.909 44 HB3 TYR 7 HB3 TYR 7 -3.337 -10.390 -6.113 45 HD1 TYR 7 HD1 TYR 7 -3.303 -14.162 -5.721 46 HD2 TYR 7 HD2 TYR 7 -1.583 -10.447 -4.618 47 HE1 TYR 7 HE1 TYR 7 -1.445 -15.381 -4.709 48 HE2 TYR 7 HE2 TYR 7 0.379 -11.651 -3.630 49 HH TYR 7 HH TYR 7 0.945 -14.959 -4.135 50 H GLU 8 H GLU 8 -5.290 -8.652 -4.857 51 HA GLU 8 HA GLU 8 -7.388 -8.144 -6.915 52 HB2 GLU 8 HB2 GLU 8 -8.266 -8.162 -4.368 53 HB3 GLU 8 HB3 GLU 8 -7.520 -6.585 -4.260 54 HG2 GLU 8 HG2 GLU 8 -9.102 -5.718 -5.980 55 HG3 GLU 8 HG3 GLU 8 -9.807 -7.319 -6.151 56 H GLU 9 H GLU 9 -7.052 -6.573 -8.371 57 HA GLU 9 HA GLU 9 -4.935 -4.600 -8.013 58 HB2 GLU 9 HB2 GLU 9 -4.643 -4.509 -10.585 59 HB3 GLU 9 HB3 GLU 9 -4.221 -6.030 -9.826 60 HG2 GLU 9 HG2 GLU 9 -6.318 -7.080 -10.742 61 HG3 GLU 9 HG3 GLU 9 -6.760 -5.551 -11.485 62 H ILE 10 H ILE 10 -5.392 -2.607 -7.545 63 HA ILE 10 HA ILE 10 -7.814 -1.272 -8.648 64 HB ILE 10 HB ILE 10 -6.519 -0.768 -5.840 65 HG12 ILE 10 HG12 ILE 10 -9.431 -1.488 -5.806 66 HG13 ILE 10 HG13 ILE 10 -8.396 -2.754 -6.433 67 HG21 ILE 10 HG21 ILE 10 -9.046 0.704 -6.863 68 HG22 ILE 10 HG22 ILE 10 -7.467 1.441 -6.577 69 HG23 ILE 10 HG23 ILE 10 -8.412 0.840 -5.208 70 HD11 ILE 10 HD11 ILE 10 -8.767 -3.154 -4.046 71 HD12 ILE 10 HD12 ILE 10 -8.288 -1.507 -3.665 72 HD13 ILE 10 HD13 ILE 10 -7.074 -2.654 -4.291 73 H THR 11 H THR 11 -7.675 0.643 -9.733 74 HA THR 11 HA THR 11 -5.174 2.243 -9.953 75 HB THR 11 HB THR 11 -7.253 2.259 -12.279 76 HG1 THR 11 HG1 THR 11 -5.749 0.091 -11.600 77 HG21 THR 11 HG21 THR 11 -4.215 2.562 -12.340 78 HG22 THR 11 HG22 THR 11 -5.343 3.908 -12.386 79 HG23 THR 11 HG23 THR 11 -5.285 2.761 -13.733 80 H LEU 12 H LEU 12 -5.203 4.183 -9.150 81 HA LEU 12 HA LEU 12 -7.654 5.745 -8.523 82 HB2 LEU 12 HB2 LEU 12 -4.991 5.553 -7.001 83 HB3 LEU 12 HB3 LEU 12 -6.036 6.902 -6.738 84 HG LEU 12 HG LEU 12 -6.656 3.988 -5.848 85 HD11 LEU 12 HD11 LEU 12 -5.681 6.309 -4.322 86 HD12 LEU 12 HD12 LEU 12 -4.774 4.865 -4.776 87 HD13 LEU 12 HD13 LEU 12 -6.163 4.732 -3.697 88 HD21 LEU 12 HD21 LEU 12 -8.450 4.965 -4.512 89 HD22 LEU 12 HD22 LEU 12 -8.757 5.406 -6.192 90 HD23 LEU 12 HD23 LEU 12 -8.059 6.588 -5.087 91 H GLU 13 H GLU 13 -7.751 8.010 -8.960 92 HA GLU 13 HA GLU 13 -5.448 9.335 -10.207 93 HB2 GLU 13 HB2 GLU 13 -7.036 11.092 -11.243 94 HB3 GLU 13 HB3 GLU 13 -7.309 9.481 -11.837 95 HG2 GLU 13 HG2 GLU 13 -9.332 9.448 -10.206 96 HG3 GLU 13 HG3 GLU 13 -8.965 11.162 -10.046 97 H ARG 14 H ARG 14 -4.433 11.020 -9.367 98 HA ARG 14 HA ARG 14 -4.073 11.244 -6.597 99 HB2 ARG 14 HB2 ARG 14 -2.416 11.756 -8.612 100 HB3 ARG 14 HB3 ARG 14 -3.026 13.386 -8.532 101 HG2 ARG 14 HG2 ARG 14 -2.101 13.591 -6.196 102 HG3 ARG 14 HG3 ARG 14 -1.476 11.954 -6.323 103 HD2 ARG 14 HD2 ARG 14 0.383 13.374 -6.751 104 HD3 ARG 14 HD3 ARG 14 -0.116 12.786 -8.330 105 HE ARG 14 HE ARG 14 -1.378 15.288 -7.896 106 HH11 ARG 14 HH11 ARG 14 2.076 14.381 -8.597 107 HH12 ARG 14 HH12 ARG 14 2.430 15.938 -9.266 108 HH21 ARG 14 HH21 ARG 14 -0.783 17.259 -8.788 109 HH22 ARG 14 HH22 ARG 14 0.825 17.541 -9.368 110 H GLY 15 H GLY 15 -5.226 11.958 -5.023 111 HA2 GLY 15 HA2 GLY 15 -7.469 13.769 -5.043 112 HA3 GLY 15 HA3 GLY 15 -6.738 13.102 -3.613 113 H ASN 16 H ASN 16 -7.963 15.511 -3.413 114 HA ASN 16 HA ASN 16 -6.366 17.905 -3.816 115 HB2 ASN 16 HB2 ASN 16 -9.054 17.534 -2.377 116 HB3 ASN 16 HB3 ASN 16 -8.263 19.094 -2.444 117 HD21 ASN 16 HD21 ASN 16 -8.300 20.261 -4.419 118 HD22 ASN 16 HD22 ASN 16 -9.320 19.821 -5.743 119 H SER 17 H SER 17 -6.856 15.858 -0.930 120 HA SER 17 HA SER 17 -5.045 17.429 0.774 121 HB2 SER 17 HB2 SER 17 -5.879 15.962 2.713 122 HB3 SER 17 HB3 SER 17 -7.146 16.899 1.941 123 HG SER 17 HG SER 17 -6.901 14.193 2.209 124 H GLY 18 H GLY 18 -4.879 14.499 -1.234 125 HA2 GLY 18 HA2 GLY 18 -2.686 13.594 -1.839 126 HA3 GLY 18 HA3 GLY 18 -2.279 13.591 -0.126 127 H LEU 19 H LEU 19 -4.895 12.476 -2.304 128 HA LEU 19 HA LEU 19 -6.379 10.929 -2.465 129 HB2 LEU 19 HB2 LEU 19 -4.075 9.035 -1.764 130 HB3 LEU 19 HB3 LEU 19 -5.689 8.336 -2.071 131 HG LEU 19 HG LEU 19 -4.441 7.878 -3.833 132 HD11 LEU 19 HD11 LEU 19 -4.823 9.058 -5.845 133 HD12 LEU 19 HD12 LEU 19 -5.648 10.295 -4.885 134 HD13 LEU 19 HD13 LEU 19 -6.227 8.625 -4.862 135 HD21 LEU 19 HD21 LEU 19 -2.476 8.904 -3.068 136 HD22 LEU 19 HD22 LEU 19 -2.916 10.455 -3.784 137 HD23 LEU 19 HD23 LEU 19 -2.588 9.039 -4.824 138 H GLY 20 H GLY 20 -5.460 9.377 0.616 139 HA2 GLY 20 HA2 GLY 20 -7.137 10.350 2.475 140 HA3 GLY 20 HA3 GLY 20 -8.258 9.436 1.486 141 H PHE 21 H PHE 21 -4.804 8.542 2.294 142 HA PHE 21 HA PHE 21 -5.356 6.747 4.396 143 HB2 PHE 21 HB2 PHE 21 -4.586 4.613 3.310 144 HB3 PHE 21 HB3 PHE 21 -5.902 5.239 2.401 145 HD1 PHE 21 HD1 PHE 21 -5.154 6.597 -0.024 146 HD2 PHE 21 HD2 PHE 21 -2.744 3.754 2.156 147 HE1 PHE 21 HE1 PHE 21 -3.915 6.088 -2.076 148 HE2 PHE 21 HE2 PHE 21 -1.471 3.282 0.080 149 HZ PHE 21 HZ PHE 21 -2.060 4.449 -2.029 150 H SER 22 H SER 22 -2.914 5.779 5.319 151 HA SER 22 HA SER 22 -0.606 7.106 4.142 152 HB2 SER 22 HB2 SER 22 -1.123 7.064 7.172 153 HB3 SER 22 HB3 SER 22 0.411 7.472 6.387 154 HG SER 22 HG SER 22 -1.785 9.033 6.824 155 H ILE 23 H ILE 23 1.480 5.963 4.291 156 HA ILE 23 HA ILE 23 1.288 3.142 5.054 157 HB ILE 23 HB ILE 23 2.667 2.354 3.020 158 HG12 ILE 23 HG12 ILE 23 1.824 3.379 0.762 159 HG13 ILE 23 HG13 ILE 23 1.318 4.776 1.690 160 HG21 ILE 23 HG21 ILE 23 0.707 1.482 3.554 161 HG22 ILE 23 HG22 ILE 23 0.423 1.960 1.821 162 HG23 ILE 23 HG23 ILE 23 -0.087 2.994 3.220 163 HD11 ILE 23 HD11 ILE 23 4.197 3.929 1.055 164 HD12 ILE 23 HD12 ILE 23 3.770 5.266 2.127 165 HD13 ILE 23 HD13 ILE 23 3.318 5.335 0.435 166 H ALA 24 H ALA 24 2.566 1.868 5.950 167 HA ALA 24 HA ALA 24 5.245 2.910 6.681 168 HB1 ALA 24 HB1 ALA 24 3.490 1.037 8.400 169 HB2 ALA 24 HB2 ALA 24 3.662 2.755 8.656 170 HB3 ALA 24 HB3 ALA 24 5.057 1.700 8.881 171 H GLY 25 H GLY 25 6.934 1.984 5.895 172 HA2 GLY 25 HA2 GLY 25 7.426 -0.822 5.366 173 HA3 GLY 25 HA3 GLY 25 7.106 0.077 3.894 174 H GLY 26 H GLY 26 9.540 -1.235 4.258 175 HA2 GLY 26 HA2 GLY 26 11.659 0.572 4.061 176 HA3 GLY 26 HA3 GLY 26 11.527 0.290 5.773 177 H THR 27 H THR 27 13.639 -0.122 3.710 178 HA THR 27 HA THR 27 14.461 -2.833 4.484 179 HB THR 27 HB THR 27 16.661 -2.264 2.999 180 HG1 THR 27 HG1 THR 27 16.521 -0.366 2.247 181 HG21 THR 27 HG21 THR 27 15.626 -3.297 0.993 182 HG22 THR 27 HG22 THR 27 14.038 -3.061 1.723 183 HG23 THR 27 HG23 THR 27 15.214 -4.129 2.491 184 H ASP 28 H ASP 28 15.612 0.538 4.895 185 HA ASP 28 HA ASP 28 17.560 -0.235 6.939 186 HB2 ASP 28 HB2 ASP 28 17.408 2.383 5.334 187 HB3 ASP 28 HB3 ASP 28 18.415 2.265 6.762 188 H ASN 29 H ASN 29 14.512 1.625 6.591 189 HA ASN 29 HA ASN 29 14.428 2.480 9.389 190 HB2 ASN 29 HB2 ASN 29 12.869 3.580 6.967 191 HB3 ASN 29 HB3 ASN 29 12.370 3.970 8.596 192 HD21 ASN 29 HD21 ASN 29 12.651 6.156 8.370 193 HD22 ASN 29 HD22 ASN 29 14.175 6.944 8.167 194 HA PRO 30 HA PRO 30 11.411 -1.174 10.179 195 HB2 PRO 30 HB2 PRO 30 11.740 -0.726 13.055 196 HB3 PRO 30 HB3 PRO 30 12.215 -2.127 12.106 197 HG2 PRO 30 HG2 PRO 30 14.076 -0.462 13.217 198 HG3 PRO 30 HG3 PRO 30 14.364 -1.343 11.711 199 HD2 PRO 30 HD2 PRO 30 13.640 1.558 12.089 200 HD3 PRO 30 HD3 PRO 30 14.776 0.802 10.967 201 H HIS 31 H HIS 31 9.302 -1.644 11.351 202 HA HIS 31 HA HIS 31 7.801 0.593 12.527 203 HB2 HIS 31 HB2 HIS 31 6.794 0.196 10.218 204 HB3 HIS 31 HB3 HIS 31 6.584 -1.504 10.566 205 HD1 HIS 31 HD1 HIS 31 5.156 1.842 11.900 206 HD2 HIS 31 HD2 HIS 31 3.957 -2.098 11.307 207 HE1 HIS 31 HE1 HIS 31 2.753 1.760 12.608 208 HE2 HIS 31 HE2 HIS 31 2.012 -0.597 12.114 209 H ILE 32 H ILE 32 8.220 -2.988 12.560 210 HA ILE 32 HA ILE 32 6.793 -3.290 15.114 211 HB ILE 32 HB ILE 32 6.252 -4.446 12.556 212 HG12 ILE 32 HG12 ILE 32 4.607 -3.130 13.493 213 HG13 ILE 32 HG13 ILE 32 3.837 -4.646 13.036 214 HG21 ILE 32 HG21 ILE 32 6.920 -6.439 12.585 215 HG22 ILE 32 HG22 ILE 32 5.156 -6.562 12.706 216 HG23 ILE 32 HG23 ILE 32 6.162 -6.865 14.140 217 HD11 ILE 32 HD11 ILE 32 4.452 -3.591 15.831 218 HD12 ILE 32 HD12 ILE 32 3.744 -5.186 15.547 219 HD13 ILE 32 HD13 ILE 32 2.839 -3.720 15.115 220 H GLY 33 H GLY 33 9.635 -3.339 14.227 221 HA2 GLY 33 HA2 GLY 33 11.633 -3.902 15.565 222 HA3 GLY 33 HA3 GLY 33 10.861 -5.419 16.037 223 H ASP 34 H ASP 34 11.868 -3.734 13.002 224 HA ASP 34 HA ASP 34 13.064 -4.035 11.212 225 HB2 ASP 34 HB2 ASP 34 15.079 -4.423 12.861 226 HB3 ASP 34 HB3 ASP 34 14.893 -6.142 12.620 227 H ASP 35 H ASP 35 11.134 -4.558 10.302 228 HA ASP 35 HA ASP 35 10.928 -7.157 8.938 229 HB2 ASP 35 HB2 ASP 35 8.916 -5.270 10.016 230 HB3 ASP 35 HB3 ASP 35 8.429 -6.052 8.514 231 HA PRO 36 HA PRO 36 12.014 -5.182 4.795 232 HB2 PRO 36 HB2 PRO 36 11.353 -7.687 3.365 233 HB3 PRO 36 HB3 PRO 36 12.919 -6.912 3.589 234 HG2 PRO 36 HG2 PRO 36 12.307 -9.238 4.813 235 HG3 PRO 36 HG3 PRO 36 13.321 -8.016 5.600 236 HD2 PRO 36 HD2 PRO 36 10.378 -8.554 5.981 237 HD3 PRO 36 HD3 PRO 36 11.642 -8.358 7.218 238 H SER 37 H SER 37 8.693 -6.587 5.029 239 HA SER 37 HA SER 37 7.678 -5.662 2.452 240 HB2 SER 37 HB2 SER 37 5.493 -6.823 3.126 241 HB3 SER 37 HB3 SER 37 6.897 -7.876 3.136 242 HG SER 37 HG SER 37 5.179 -7.402 5.119 243 H ILE 38 H ILE 38 5.897 -4.217 1.903 244 HA ILE 38 HA ILE 38 5.514 -1.968 3.762 245 HB ILE 38 HB ILE 38 4.570 -1.672 0.836 246 HG12 ILE 38 HG12 ILE 38 6.799 -1.963 -0.253 247 HG13 ILE 38 HG13 ILE 38 6.892 -0.378 0.261 248 HG21 ILE 38 HG21 ILE 38 5.136 0.740 0.899 249 HG22 ILE 38 HG22 ILE 38 5.559 0.540 2.598 250 HG23 ILE 38 HG23 ILE 38 3.916 0.202 2.058 251 HD11 ILE 38 HD11 ILE 38 8.458 -0.702 2.007 252 HD12 ILE 38 HD12 ILE 38 9.019 -1.698 0.644 253 HD13 ILE 38 HD13 ILE 38 8.215 -2.454 1.997 254 H PHE 39 H PHE 39 3.787 -1.662 4.922 255 HA PHE 39 HA PHE 39 1.268 -3.222 4.659 256 HB2 PHE 39 HB2 PHE 39 2.786 -4.323 6.237 257 HB3 PHE 39 HB3 PHE 39 3.212 -2.825 7.009 258 HD1 PHE 39 HD1 PHE 39 0.147 -5.136 6.713 259 HD2 PHE 39 HD2 PHE 39 2.573 -2.682 9.227 260 HE1 PHE 39 HE1 PHE 39 -1.131 -5.886 8.689 261 HE2 PHE 39 HE2 PHE 39 1.296 -3.431 11.198 262 HZ PHE 39 HZ PHE 39 -0.565 -5.025 10.926 263 H ILE 40 H ILE 40 -0.815 -2.234 5.313 264 HA ILE 40 HA ILE 40 -0.920 0.634 5.738 265 HB ILE 40 HB ILE 40 -3.518 -0.938 5.816 266 HG12 ILE 40 HG12 ILE 40 -2.568 -2.135 3.797 267 HG13 ILE 40 HG13 ILE 40 -3.932 -1.176 3.313 268 HG21 ILE 40 HG21 ILE 40 -4.595 0.842 4.532 269 HG22 ILE 40 HG22 ILE 40 -3.077 1.748 4.501 270 HG23 ILE 40 HG23 ILE 40 -3.874 1.404 6.042 271 HD11 ILE 40 HD11 ILE 40 -2.217 -1.059 1.572 272 HD12 ILE 40 HD12 ILE 40 -1.022 -0.613 2.876 273 HD13 ILE 40 HD13 ILE 40 -2.300 0.502 2.492 274 H THR 41 H THR 41 -1.895 1.688 7.362 275 HA THR 41 HA THR 41 -2.244 0.572 10.054 276 HB THR 41 HB THR 41 0.033 2.673 9.575 277 HG1 THR 41 HG1 THR 41 0.169 -0.090 9.606 278 HG21 THR 41 HG21 THR 41 0.896 2.173 11.756 279 HG22 THR 41 HG22 THR 41 -0.458 1.055 12.098 280 HG23 THR 41 HG23 THR 41 -0.759 2.809 11.902 281 H LYS 42 H LYS 42 -2.489 3.551 7.797 282 HA LYS 42 HA LYS 42 -4.515 4.669 9.617 283 HB2 LYS 42 HB2 LYS 42 -2.060 5.897 9.428 284 HB3 LYS 42 HB3 LYS 42 -2.783 6.602 8.013 285 HG2 LYS 42 HG2 LYS 42 -4.165 6.878 10.633 286 HG3 LYS 42 HG3 LYS 42 -2.741 7.876 10.337 287 HD2 LYS 42 HD2 LYS 42 -3.964 8.707 8.235 288 HD3 LYS 42 HD3 LYS 42 -5.380 7.844 8.812 289 HE2 LYS 42 HE2 LYS 42 -3.955 9.872 10.449 290 HE3 LYS 42 HE3 LYS 42 -5.184 10.373 9.275 291 HZ1 LYS 42 HZ1 LYS 42 -6.823 9.018 10.560 292 HZ2 LYS 42 HZ2 LYS 42 -6.149 10.229 11.528 293 HZ3 LYS 42 HZ3 LYS 42 -5.621 8.632 11.690 294 H ILE 43 H ILE 43 -6.483 5.022 8.794 295 HA ILE 43 HA ILE 43 -6.886 5.528 5.971 296 HB ILE 43 HB ILE 43 -8.669 3.688 7.741 297 HG12 ILE 43 HG12 ILE 43 -6.902 2.246 6.786 298 HG13 ILE 43 HG13 ILE 43 -8.354 1.752 6.071 299 HG21 ILE 43 HG21 ILE 43 -10.391 3.177 5.979 300 HG22 ILE 43 HG22 ILE 43 -9.722 4.529 5.049 301 HG23 ILE 43 HG23 ILE 43 -10.416 4.830 6.644 302 HD11 ILE 43 HD11 ILE 43 -6.522 1.710 4.384 303 HD12 ILE 43 HD12 ILE 43 -6.145 3.390 4.702 304 HD13 ILE 43 HD13 ILE 43 -7.649 2.993 3.886 305 H ILE 44 H ILE 44 -7.914 7.488 5.490 306 HA ILE 44 HA ILE 44 -9.133 9.166 7.503 307 HB ILE 44 HB ILE 44 -8.378 9.749 4.513 308 HG12 ILE 44 HG12 ILE 44 -6.919 11.651 5.441 309 HG13 ILE 44 HG13 ILE 44 -7.204 10.953 7.049 310 HG21 ILE 44 HG21 ILE 44 -8.882 12.152 4.607 311 HG22 ILE 44 HG22 ILE 44 -9.708 11.909 6.157 312 HG23 ILE 44 HG23 ILE 44 -10.324 11.128 4.692 313 HD11 ILE 44 HD11 ILE 44 -4.997 10.397 6.119 314 HD12 ILE 44 HD12 ILE 44 -5.858 9.684 4.707 315 HD13 ILE 44 HD13 ILE 44 -6.070 8.983 6.308 316 HA PRO 45 HA PRO 45 -13.636 7.850 6.921 317 HB2 PRO 45 HB2 PRO 45 -14.491 10.447 8.160 318 HB3 PRO 45 HB3 PRO 45 -14.824 8.798 8.692 319 HG2 PRO 45 HG2 PRO 45 -13.102 10.308 10.049 320 HG3 PRO 45 HG3 PRO 45 -12.748 8.594 9.768 321 HD2 PRO 45 HD2 PRO 45 -11.679 10.998 8.275 322 HD3 PRO 45 HD3 PRO 45 -10.770 9.628 8.930 323 H GLY 46 H GLY 46 -12.663 10.972 5.468 324 HA2 GLY 46 HA2 GLY 46 -14.796 10.841 3.400 325 HA3 GLY 46 HA3 GLY 46 -14.347 12.365 4.126 326 H GLY 47 H GLY 47 -11.990 9.746 3.053 327 HA2 GLY 47 HA2 GLY 47 -10.689 11.471 1.073 328 HA3 GLY 47 HA3 GLY 47 -10.111 9.937 1.676 329 H ALA 48 H ALA 48 -9.563 10.039 -0.771 330 HA ALA 48 HA ALA 48 -11.533 9.420 -2.794 331 HB1 ALA 48 HB1 ALA 48 -8.496 9.622 -3.127 332 HB2 ALA 48 HB2 ALA 48 -9.558 10.986 -3.196 333 HB3 ALA 48 HB3 ALA 48 -9.692 9.719 -4.424 334 H ALA 49 H ALA 49 -8.949 7.438 -1.141 335 HA ALA 49 HA ALA 49 -9.387 4.981 -2.638 336 HB1 ALA 49 HB1 ALA 49 -7.661 5.385 -0.186 337 HB2 ALA 49 HB2 ALA 49 -7.155 5.567 -1.882 338 HB3 ALA 49 HB3 ALA 49 -7.649 3.994 -1.280 339 H ALA 50 H ALA 50 -10.713 6.226 0.425 340 HA ALA 50 HA ALA 50 -11.772 3.746 1.516 341 HB1 ALA 50 HB1 ALA 50 -12.223 6.599 2.518 342 HB2 ALA 50 HB2 ALA 50 -10.909 5.557 3.031 343 HB3 ALA 50 HB3 ALA 50 -12.571 5.125 3.419 344 H GLN 51 H GLN 51 -13.315 6.725 -0.087 345 HA GLN 51 HA GLN 51 -15.987 5.603 -0.206 346 HB2 GLN 51 HB2 GLN 51 -14.891 8.333 -1.005 347 HB3 GLN 51 HB3 GLN 51 -16.564 7.899 -1.259 348 HG2 GLN 51 HG2 GLN 51 -15.499 7.664 1.518 349 HG3 GLN 51 HG3 GLN 51 -15.647 9.284 0.892 350 HE21 GLN 51 HE21 GLN 51 -17.875 10.098 0.605 351 HE22 GLN 51 HE22 GLN 51 -19.245 9.309 1.303 352 H ASP 52 H ASP 52 -13.594 6.776 -2.899 353 HA ASP 52 HA ASP 52 -15.334 5.788 -4.994 354 HB2 ASP 52 HB2 ASP 52 -13.059 7.747 -4.928 355 HB3 ASP 52 HB3 ASP 52 -13.486 7.021 -6.452 356 H GLY 53 H GLY 53 -12.090 4.780 -3.737 357 HA2 GLY 53 HA2 GLY 53 -11.314 3.148 -6.076 358 HA3 GLY 53 HA3 GLY 53 -10.357 3.427 -4.648 359 H ARG 54 H ARG 54 -11.967 2.372 -2.592 360 HA ARG 54 HA ARG 54 -12.630 0.789 -1.390 361 HB2 ARG 54 HB2 ARG 54 -13.471 -0.706 -3.845 362 HB3 ARG 54 HB3 ARG 54 -13.527 -1.594 -2.328 363 HG2 ARG 54 HG2 ARG 54 -15.107 0.194 -1.462 364 HG3 ARG 54 HG3 ARG 54 -15.090 0.917 -3.071 365 HD2 ARG 54 HD2 ARG 54 -16.034 -1.135 -4.011 366 HD3 ARG 54 HD3 ARG 54 -16.019 -1.885 -2.414 367 HE ARG 54 HE ARG 54 -17.507 0.556 -2.377 368 HH11 ARG 54 HH11 ARG 54 -18.211 -2.886 -3.361 369 HH12 ARG 54 HH12 ARG 54 -19.919 -2.672 -3.168 370 HH21 ARG 54 HH21 ARG 54 -19.742 0.683 -2.167 371 HH22 ARG 54 HH22 ARG 54 -20.766 -0.674 -2.501 372 H LEU 55 H LEU 55 -10.432 1.212 -0.856 373 HA LEU 55 HA LEU 55 -9.025 -1.256 -0.167 374 HB2 LEU 55 HB2 LEU 55 -7.619 0.258 -1.353 375 HB3 LEU 55 HB3 LEU 55 -8.140 1.668 -0.468 376 HG LEU 55 HG LEU 55 -6.689 0.145 1.425 377 HD11 LEU 55 HD11 LEU 55 -4.571 -0.392 0.398 378 HD12 LEU 55 HD12 LEU 55 -5.230 -0.025 -1.194 379 HD13 LEU 55 HD13 LEU 55 -5.869 -1.386 -0.269 380 HD21 LEU 55 HD21 LEU 55 -5.111 1.977 1.205 381 HD22 LEU 55 HD22 LEU 55 -6.812 2.507 0.986 382 HD23 LEU 55 HD23 LEU 55 -5.787 2.315 -0.406 383 H ARG 56 H ARG 56 -9.020 -2.019 1.808 384 HA ARG 56 HA ARG 56 -9.662 -0.463 4.231 385 HB2 ARG 56 HB2 ARG 56 -10.116 -3.495 3.723 386 HB3 ARG 56 HB3 ARG 56 -10.105 -2.871 5.343 387 HG2 ARG 56 HG2 ARG 56 -12.063 -1.503 4.785 388 HG3 ARG 56 HG3 ARG 56 -12.067 -2.241 3.169 389 HD2 ARG 56 HD2 ARG 56 -12.144 -4.406 4.123 390 HD3 ARG 56 HD3 ARG 56 -12.027 -3.689 5.728 391 HE ARG 56 HE ARG 56 -14.335 -2.622 4.447 392 HH11 ARG 56 HH11 ARG 56 -13.697 -5.898 5.915 393 HH12 ARG 56 HH12 ARG 56 -15.384 -6.202 6.166 394 HH21 ARG 56 HH21 ARG 56 -16.488 -3.149 4.833 395 HH22 ARG 56 HH22 ARG 56 -16.936 -4.658 5.557 396 H VAL 57 H VAL 57 -8.362 -0.870 6.239 397 HA VAL 57 HA VAL 57 -5.527 -0.735 5.995 398 HB VAL 57 HB VAL 57 -7.334 0.119 7.642 399 HG11 VAL 57 HG11 VAL 57 -6.808 -0.724 10.011 400 HG12 VAL 57 HG12 VAL 57 -7.183 -2.236 9.039 401 HG13 VAL 57 HG13 VAL 57 -8.278 -0.790 9.005 402 HG21 VAL 57 HG21 VAL 57 -5.642 0.760 9.402 403 HG22 VAL 57 HG22 VAL 57 -5.663 1.260 7.707 404 HG23 VAL 57 HG23 VAL 57 -4.510 -0.005 8.225 405 H ASN 58 H ASN 58 -7.401 -3.539 6.422 406 HA ASN 58 HA ASN 58 -5.317 -5.389 7.142 407 HB2 ASN 58 HB2 ASN 58 -7.624 -5.194 8.221 408 HB3 ASN 58 HB3 ASN 58 -8.331 -5.903 6.789 409 HD21 ASN 58 HD21 ASN 58 -6.591 -6.539 9.747 410 HD22 ASN 58 HD22 ASN 58 -6.625 -8.266 9.685 411 H ASP 59 H ASP 59 -5.864 -3.945 4.059 412 HA ASP 59 HA ASP 59 -6.058 -6.355 2.397 413 HB2 ASP 59 HB2 ASP 59 -6.370 -3.438 1.758 414 HB3 ASP 59 HB3 ASP 59 -5.832 -4.472 0.450 415 H SER 60 H SER 60 -3.409 -4.044 3.221 416 HA SER 60 HA SER 60 -1.220 -3.737 2.712 417 HB2 SER 60 HB2 SER 60 -1.125 -6.768 3.143 418 HB3 SER 60 HB3 SER 60 0.304 -5.740 3.168 419 HG SER 60 HG SER 60 -1.590 -4.743 4.799 420 H ILE 61 H ILE 61 0.208 -3.154 1.144 421 HA ILE 61 HA ILE 61 -0.269 -4.200 -1.578 422 HB ILE 61 HB ILE 61 1.566 -1.678 -1.131 423 HG12 ILE 61 HG12 ILE 61 -1.410 -1.219 -1.838 424 HG13 ILE 61 HG13 ILE 61 -0.990 -1.442 -0.156 425 HG21 ILE 61 HG21 ILE 61 0.912 -1.027 -3.490 426 HG22 ILE 61 HG22 ILE 61 -0.137 -2.439 -3.583 427 HG23 ILE 61 HG23 ILE 61 1.595 -2.660 -3.453 428 HD11 ILE 61 HD11 ILE 61 -0.031 0.826 -1.948 429 HD12 ILE 61 HD12 ILE 61 0.399 0.647 -0.245 430 HD13 ILE 61 HD13 ILE 61 -1.280 0.959 -0.703 431 H LEU 62 H LEU 62 1.006 -5.670 -2.736 432 HA LEU 62 HA LEU 62 3.817 -6.167 -1.962 433 HB2 LEU 62 HB2 LEU 62 3.754 -8.184 -3.390 434 HB3 LEU 62 HB3 LEU 62 2.495 -8.296 -2.155 435 HG LEU 62 HG LEU 62 1.778 -7.615 -5.031 436 HD11 LEU 62 HD11 LEU 62 2.146 -10.306 -3.793 437 HD12 LEU 62 HD12 LEU 62 3.084 -9.603 -5.136 438 HD13 LEU 62 HD13 LEU 62 1.357 -9.983 -5.338 439 HD21 LEU 62 HD21 LEU 62 -0.330 -8.690 -4.451 440 HD22 LEU 62 HD22 LEU 62 0.020 -7.394 -3.308 441 HD23 LEU 62 HD23 LEU 62 0.288 -9.075 -2.846 442 H PHE 63 H PHE 63 1.971 -5.016 -4.756 443 HA PHE 63 HA PHE 63 4.498 -3.935 -5.928 444 HB2 PHE 63 HB2 PHE 63 2.455 -5.580 -7.502 445 HB3 PHE 63 HB3 PHE 63 3.558 -4.505 -8.355 446 HD1 PHE 63 HD1 PHE 63 3.389 -7.563 -6.209 447 HD2 PHE 63 HD2 PHE 63 5.854 -5.198 -8.721 448 HE1 PHE 63 HE1 PHE 63 4.986 -9.382 -6.258 449 HE2 PHE 63 HE2 PHE 63 7.524 -6.842 -8.752 450 HZ PHE 63 HZ PHE 63 7.152 -9.083 -7.553 451 H VAL 64 H VAL 64 4.578 -1.886 -6.744 452 HA VAL 64 HA VAL 64 2.043 -0.292 -7.050 453 HB VAL 64 HB VAL 64 4.663 1.105 -5.943 454 HG11 VAL 64 HG11 VAL 64 3.187 2.749 -6.995 455 HG12 VAL 64 HG12 VAL 64 3.345 3.067 -5.269 456 HG13 VAL 64 HG13 VAL 64 1.872 2.302 -5.897 457 HG21 VAL 64 HG21 VAL 64 3.853 -0.344 -4.144 458 HG22 VAL 64 HG22 VAL 64 2.269 0.419 -4.219 459 HG23 VAL 64 HG23 VAL 64 3.676 1.357 -3.700 460 H ASN 65 H ASN 65 1.657 0.980 -8.748 461 HA ASN 65 HA ASN 65 1.609 1.725 -10.827 462 HB2 ASN 65 HB2 ASN 65 4.714 1.811 -10.583 463 HB3 ASN 65 HB3 ASN 65 4.157 2.104 -12.191 464 HD21 ASN 65 HD21 ASN 65 4.637 3.309 -9.029 465 HD22 ASN 65 HD22 ASN 65 4.116 4.936 -9.282 466 H GLU 66 H GLU 66 4.330 -0.390 -11.537 467 HA GLU 66 HA GLU 66 3.101 -2.882 -12.223 468 HB2 GLU 66 HB2 GLU 66 4.591 -1.274 -14.446 469 HB3 GLU 66 HB3 GLU 66 4.547 -3.021 -14.503 470 HG2 GLU 66 HG2 GLU 66 2.074 -2.936 -14.772 471 HG3 GLU 66 HG3 GLU 66 2.130 -1.181 -14.689 472 H VAL 67 H VAL 67 5.182 -1.269 -10.271 473 HA VAL 67 HA VAL 67 7.676 -2.620 -10.758 474 HB VAL 67 HB VAL 67 8.882 -0.839 -9.627 475 HG11 VAL 67 HG11 VAL 67 8.851 -0.874 -11.855 476 HG12 VAL 67 HG12 VAL 67 9.018 0.827 -11.315 477 HG13 VAL 67 HG13 VAL 67 7.449 0.230 -11.971 478 HG21 VAL 67 HG21 VAL 67 6.422 1.016 -9.580 479 HG22 VAL 67 HG22 VAL 67 8.110 1.470 -9.095 480 HG23 VAL 67 HG23 VAL 67 7.248 0.182 -8.227 481 H ASP 68 H ASP 68 9.183 -2.894 -9.102 482 HA ASP 68 HA ASP 68 8.023 -4.592 -7.248 483 HB2 ASP 68 HB2 ASP 68 10.966 -4.437 -8.096 484 HB3 ASP 68 HB3 ASP 68 10.495 -5.566 -6.837 485 H VAL 69 H VAL 69 7.471 -3.701 -5.319 486 HA VAL 69 HA VAL 69 9.330 -2.029 -3.803 487 HB VAL 69 HB VAL 69 7.596 -1.144 -2.284 488 HG11 VAL 69 HG11 VAL 69 7.027 -0.469 -5.116 489 HG12 VAL 69 HG12 VAL 69 8.090 0.256 -3.879 490 HG13 VAL 69 HG13 VAL 69 6.343 0.302 -3.643 491 HG21 VAL 69 HG21 VAL 69 5.055 -1.315 -2.977 492 HG22 VAL 69 HG22 VAL 69 5.860 -2.456 -1.931 493 HG23 VAL 69 HG23 VAL 69 5.560 -2.912 -3.643 494 H ARG 70 H ARG 70 8.523 -5.160 -3.708 495 HA ARG 70 HA ARG 70 8.452 -6.192 -1.135 496 HB2 ARG 70 HB2 ARG 70 9.450 -8.380 -2.026 497 HB3 ARG 70 HB3 ARG 70 8.048 -7.793 -2.885 498 HG2 ARG 70 HG2 ARG 70 9.568 -7.086 -4.789 499 HG3 ARG 70 HG3 ARG 70 10.953 -7.672 -3.883 500 HD2 ARG 70 HD2 ARG 70 8.653 -9.465 -4.721 501 HD3 ARG 70 HD3 ARG 70 10.046 -9.181 -5.752 502 HE ARG 70 HE ARG 70 10.882 -10.127 -3.172 503 HH11 ARG 70 HH11 ARG 70 9.588 -11.701 -6.191 504 HH12 ARG 70 HH12 ARG 70 10.276 -13.236 -5.779 505 HH21 ARG 70 HH21 ARG 70 11.719 -12.172 -2.766 506 HH22 ARG 70 HH22 ARG 70 11.466 -13.489 -3.863 507 H GLU 71 H GLU 71 11.439 -4.735 -2.355 508 HA GLU 71 HA GLU 71 12.836 -4.828 0.068 509 HB2 GLU 71 HB2 GLU 71 13.855 -6.357 -2.322 510 HB3 GLU 71 HB3 GLU 71 15.028 -5.400 -1.447 511 HG2 GLU 71 HG2 GLU 71 14.522 -6.795 0.611 512 HG3 GLU 71 HG3 GLU 71 13.346 -7.708 -0.322 513 H VAL 72 H VAL 72 12.054 -2.682 -0.069 514 HA VAL 72 HA VAL 72 13.892 -0.766 -1.260 515 HB VAL 72 HB VAL 72 12.333 0.824 -2.227 516 HG11 VAL 72 HG11 VAL 72 11.487 -1.684 -3.470 517 HG12 VAL 72 HG12 VAL 72 12.828 -0.600 -3.881 518 HG13 VAL 72 HG13 VAL 72 11.152 -0.068 -4.098 519 HG21 VAL 72 HG21 VAL 72 9.811 -0.645 -1.289 520 HG22 VAL 72 HG22 VAL 72 9.778 0.721 -2.423 521 HG23 VAL 72 HG23 VAL 72 10.374 0.959 -0.790 522 H THR 73 H THR 73 13.955 1.394 -0.235 523 HA THR 73 HA THR 73 13.271 1.617 2.599 524 HB THR 73 HB THR 73 14.006 4.169 2.191 525 HG1 THR 73 HG1 THR 73 15.759 4.089 0.455 526 HG21 THR 73 HG21 THR 73 16.061 1.961 2.134 527 HG22 THR 73 HG22 THR 73 15.317 2.735 3.557 528 HG23 THR 73 HG23 THR 73 16.379 3.670 2.499 529 H HIS 74 H HIS 74 11.995 3.430 3.615 530 HA HIS 74 HA HIS 74 9.288 3.799 3.091 531 HB2 HIS 74 HB2 HIS 74 10.537 4.284 5.283 532 HB3 HIS 74 HB3 HIS 74 11.138 5.769 4.603 533 HD1 HIS 74 HD1 HIS 74 9.674 7.872 5.006 534 HD2 HIS 74 HD2 HIS 74 7.734 4.364 6.157 535 HE1 HIS 74 HE1 HIS 74 7.680 8.613 6.370 536 HE2 HIS 74 HE2 HIS 74 6.502 6.477 7.010 537 H SER 75 H SER 75 11.775 6.395 2.245 538 HA SER 75 HA SER 75 10.138 8.216 0.744 539 HB2 SER 75 HB2 SER 75 13.192 7.957 0.773 540 HB3 SER 75 HB3 SER 75 12.338 9.267 -0.036 541 HG SER 75 HG SER 75 12.021 10.198 1.840 542 H ALA 76 H ALA 76 12.028 5.379 -0.377 543 HA ALA 76 HA ALA 76 11.822 5.573 -3.230 544 HB1 ALA 76 HB1 ALA 76 12.312 3.173 -1.485 545 HB2 ALA 76 HB2 ALA 76 13.569 4.281 -2.031 546 HB3 ALA 76 HB3 ALA 76 12.700 3.268 -3.208 547 H ALA 77 H ALA 77 9.454 4.373 -0.749 548 HA ALA 77 HA ALA 77 7.627 3.051 -2.642 549 HB1 ALA 77 HB1 ALA 77 6.357 2.373 -0.624 550 HB2 ALA 77 HB2 ALA 77 7.396 3.420 0.360 551 HB3 ALA 77 HB3 ALA 77 8.081 1.991 -0.422 552 H VAL 78 H VAL 78 7.777 6.071 -0.696 553 HA VAL 78 HA VAL 78 5.132 7.164 -1.393 554 HB VAL 78 HB VAL 78 7.553 8.589 0.013 555 HG11 VAL 78 HG11 VAL 78 4.690 9.641 0.041 556 HG12 VAL 78 HG12 VAL 78 6.010 10.390 -0.881 557 HG13 VAL 78 HG13 VAL 78 6.065 10.362 0.895 558 HG21 VAL 78 HG21 VAL 78 4.983 7.616 1.154 559 HG22 VAL 78 HG22 VAL 78 6.288 8.385 2.096 560 HG23 VAL 78 HG23 VAL 78 6.549 6.804 1.307 561 H GLU 79 H GLU 79 8.376 7.761 -2.806 562 HA GLU 79 HA GLU 79 7.848 9.788 -4.782 563 HB2 GLU 79 HB2 GLU 79 10.050 7.784 -4.557 564 HB3 GLU 79 HB3 GLU 79 10.027 8.858 -5.944 565 HG2 GLU 79 HG2 GLU 79 10.026 10.816 -4.319 566 HG3 GLU 79 HG3 GLU 79 10.227 9.609 -3.051 567 H ALA 80 H ALA 80 7.224 6.355 -5.021 568 HA ALA 80 HA ALA 80 6.527 6.229 -7.827 569 HB1 ALA 80 HB1 ALA 80 5.765 4.326 -5.561 570 HB2 ALA 80 HB2 ALA 80 7.229 4.208 -6.524 571 HB3 ALA 80 HB3 ALA 80 5.664 3.937 -7.285 572 H LEU 81 H LEU 81 4.685 7.260 -4.818 573 HA LEU 81 HA LEU 81 2.112 7.444 -6.167 574 HB2 LEU 81 HB2 LEU 81 2.763 7.760 -3.195 575 HB3 LEU 81 HB3 LEU 81 1.145 7.868 -3.845 576 HG LEU 81 HG LEU 81 2.553 5.372 -4.464 577 HD11 LEU 81 HD11 LEU 81 3.502 5.665 -2.419 578 HD12 LEU 81 HD12 LEU 81 2.318 4.351 -2.294 579 HD13 LEU 81 HD13 LEU 81 1.953 5.955 -1.618 580 HD21 LEU 81 HD21 LEU 81 -0.176 5.832 -3.241 581 HD22 LEU 81 HD22 LEU 81 0.466 4.278 -3.847 582 HD23 LEU 81 HD23 LEU 81 0.218 5.630 -4.957 583 H LYS 82 H LYS 82 4.516 9.701 -4.927 584 HA LYS 82 HA LYS 82 2.952 12.129 -5.414 585 HB2 LYS 82 HB2 LYS 82 5.680 11.663 -4.205 586 HB3 LYS 82 HB3 LYS 82 5.316 13.273 -4.763 587 HG2 LYS 82 HG2 LYS 82 3.356 13.310 -3.169 588 HG3 LYS 82 HG3 LYS 82 3.857 11.726 -2.580 589 HD2 LYS 82 HD2 LYS 82 5.988 12.654 -1.832 590 HD3 LYS 82 HD3 LYS 82 5.558 14.235 -2.490 591 HE2 LYS 82 HE2 LYS 82 3.679 14.366 -0.903 592 HE3 LYS 82 HE3 LYS 82 4.115 12.785 -0.257 593 HZ1 LYS 82 HZ1 LYS 82 4.961 14.562 1.134 594 HZ2 LYS 82 HZ2 LYS 82 5.811 15.224 -0.170 595 HZ3 LYS 82 HZ3 LYS 82 6.245 13.706 0.438 596 H GLU 83 H GLU 83 5.695 10.500 -7.068 597 HA GLU 83 HA GLU 83 5.986 12.641 -9.091 598 HB2 GLU 83 HB2 GLU 83 7.596 10.332 -8.460 599 HB3 GLU 83 HB3 GLU 83 7.970 11.142 -9.985 600 HG2 GLU 83 HG2 GLU 83 7.971 13.214 -8.717 601 HG3 GLU 83 HG3 GLU 83 7.972 12.274 -7.238 602 H ALA 84 H ALA 84 4.231 9.733 -9.277 603 HA ALA 84 HA ALA 84 4.453 9.037 -12.081 604 HB1 ALA 84 HB1 ALA 84 3.367 7.520 -10.364 605 HB2 ALA 84 HB2 ALA 84 2.522 7.591 -11.907 606 HB3 ALA 84 HB3 ALA 84 1.886 8.465 -10.539 607 H GLY 85 H GLY 85 2.581 11.701 -10.787 608 HA2 GLY 85 HA2 GLY 85 2.653 13.742 -12.277 609 HA3 GLY 85 HA3 GLY 85 2.090 12.603 -13.493 610 H SER 86 H SER 86 -0.070 11.383 -12.102 611 HA SER 86 HA SER 86 -2.167 13.035 -11.238 612 HB2 SER 86 HB2 SER 86 -3.620 13.374 -13.288 613 HB3 SER 86 HB3 SER 86 -1.915 13.994 -13.338 614 HG SER 86 HG SER 86 -3.148 12.259 -15.096 615 H ILE 87 H ILE 87 -1.213 10.089 -12.871 616 HA ILE 87 HA ILE 87 -3.431 8.526 -11.691 617 HB ILE 87 HB ILE 87 -2.142 7.953 -14.424 618 HG12 ILE 87 HG12 ILE 87 -3.771 9.756 -14.764 619 HG13 ILE 87 HG13 ILE 87 -4.341 8.382 -15.686 620 HG21 ILE 87 HG21 ILE 87 -3.660 5.963 -14.962 621 HG22 ILE 87 HG22 ILE 87 -4.263 6.111 -13.290 622 HG23 ILE 87 HG23 ILE 87 -2.584 5.739 -13.546 623 HD11 ILE 87 HD11 ILE 87 -6.190 8.136 -13.927 624 HD12 ILE 87 HD12 ILE 87 -6.243 9.702 -14.725 625 HD13 ILE 87 HD13 ILE 87 -5.580 9.565 -13.111 626 H VAL 88 H VAL 88 -2.984 7.154 -10.310 627 HA VAL 88 HA VAL 88 -0.472 5.700 -10.113 628 HB VAL 88 HB VAL 88 -0.371 5.785 -7.627 629 HG11 VAL 88 HG11 VAL 88 1.221 7.149 -8.755 630 HG12 VAL 88 HG12 VAL 88 0.704 8.065 -7.352 631 HG13 VAL 88 HG13 VAL 88 0.073 8.458 -8.943 632 HG21 VAL 88 HG21 VAL 88 -2.563 6.592 -6.860 633 HG22 VAL 88 HG22 VAL 88 -2.313 8.165 -7.632 634 HG23 VAL 88 HG23 VAL 88 -1.332 7.697 -6.235 635 H ARG 89 H ARG 89 -0.492 3.636 -9.957 636 HA ARG 89 HA ARG 89 -2.963 2.153 -9.230 637 HB2 ARG 89 HB2 ARG 89 -2.467 1.924 -11.679 638 HB3 ARG 89 HB3 ARG 89 -0.846 1.303 -11.396 639 HG2 ARG 89 HG2 ARG 89 -1.978 -0.799 -10.687 640 HG3 ARG 89 HG3 ARG 89 -3.539 -0.021 -11.028 641 HD2 ARG 89 HD2 ARG 89 -2.785 0.505 -13.237 642 HD3 ARG 89 HD3 ARG 89 -1.258 -0.306 -12.933 643 HE ARG 89 HE ARG 89 -3.259 -2.220 -12.456 644 HH11 ARG 89 HH11 ARG 89 -2.212 -0.649 -15.583 645 HH12 ARG 89 HH12 ARG 89 -2.744 -1.998 -16.529 646 HH21 ARG 89 HH21 ARG 89 -3.898 -3.895 -13.822 647 HH22 ARG 89 HH22 ARG 89 -3.682 -3.801 -15.538 648 H LEU 90 H LEU 90 -3.024 0.543 -7.751 649 HA LEU 90 HA LEU 90 -0.636 -0.490 -6.404 650 HB2 LEU 90 HB2 LEU 90 -1.961 -0.471 -4.148 651 HB3 LEU 90 HB3 LEU 90 -1.542 1.110 -4.747 652 HG LEU 90 HG LEU 90 -4.106 0.956 -5.605 653 HD11 LEU 90 HD11 LEU 90 -4.584 -1.195 -4.783 654 HD12 LEU 90 HD12 LEU 90 -5.509 -0.029 -3.817 655 HD13 LEU 90 HD13 LEU 90 -4.031 -0.776 -3.164 656 HD21 LEU 90 HD21 LEU 90 -4.651 2.275 -3.632 657 HD22 LEU 90 HD22 LEU 90 -3.079 2.646 -4.383 658 HD23 LEU 90 HD23 LEU 90 -3.130 1.711 -2.885 659 H TYR 91 H TYR 91 -0.431 -2.586 -5.912 660 HA TYR 91 HA TYR 91 -2.581 -4.544 -6.486 661 HB2 TYR 91 HB2 TYR 91 -0.447 -4.556 -8.148 662 HB3 TYR 91 HB3 TYR 91 0.391 -5.192 -6.812 663 HD1 TYR 91 HD1 TYR 91 -2.947 -6.317 -8.288 664 HD2 TYR 91 HD2 TYR 91 1.019 -7.372 -7.188 665 HE1 TYR 91 HE1 TYR 91 -3.473 -8.520 -8.832 666 HE2 TYR 91 HE2 TYR 91 0.583 -9.678 -7.753 667 HH TYR 91 HH TYR 91 -1.397 -11.208 -8.028 668 H VAL 92 H VAL 92 -3.437 -5.348 -4.830 669 HA VAL 92 HA VAL 92 -1.980 -5.786 -2.277 670 HB VAL 92 HB VAL 92 -4.123 -5.482 -0.957 671 HG11 VAL 92 HG11 VAL 92 -3.745 -3.163 -2.787 672 HG12 VAL 92 HG12 VAL 92 -2.883 -3.481 -1.277 673 HG13 VAL 92 HG13 VAL 92 -4.617 -3.130 -1.255 674 HG21 VAL 92 HG21 VAL 92 -5.555 -4.999 -3.607 675 HG22 VAL 92 HG22 VAL 92 -6.328 -4.802 -1.986 676 HG23 VAL 92 HG23 VAL 92 -5.648 -6.373 -2.529 677 H MET 93 H MET 93 -2.780 -7.418 -0.669 678 HA MET 93 HA MET 93 -3.551 -10.070 -1.751 679 HB2 MET 93 HB2 MET 93 -1.711 -11.470 -0.658 680 HB3 MET 93 HB3 MET 93 -1.011 -10.272 -1.707 681 HG2 MET 93 HG2 MET 93 -1.009 -9.973 1.311 682 HG3 MET 93 HG3 MET 93 0.246 -10.827 0.432 683 HE1 MET 93 HE1 MET 93 0.997 -8.568 2.418 684 HE2 MET 93 HE2 MET 93 2.133 -7.607 1.473 685 HE3 MET 93 HE3 MET 93 2.181 -9.367 1.384 686 H ARG 94 H ARG 94 -5.310 -10.833 -1.029 687 HA ARG 94 HA ARG 94 -5.895 -10.930 1.841 688 HB2 ARG 94 HB2 ARG 94 -8.428 -10.321 1.541 689 HB3 ARG 94 HB3 ARG 94 -7.326 -8.990 1.322 690 HG2 ARG 94 HG2 ARG 94 -7.717 -9.049 -1.141 691 HG3 ARG 94 HG3 ARG 94 -8.711 -10.488 -0.970 692 HD2 ARG 94 HD2 ARG 94 -9.413 -7.832 0.318 693 HD3 ARG 94 HD3 ARG 94 -9.929 -8.253 -1.306 694 HE ARG 94 HE ARG 94 -10.781 -10.307 0.466 695 HH11 ARG 94 HH11 ARG 94 -11.933 -6.896 -0.097 696 HH12 ARG 94 HH12 ARG 94 -13.523 -7.257 0.487 697 HH21 ARG 94 HH21 ARG 94 -12.883 -10.629 1.195 698 HH22 ARG 94 HH22 ARG 94 -14.044 -9.343 1.207 699 H ARG 95 H ARG 95 -6.177 -12.858 2.687 700 HA ARG 95 HA ARG 95 -6.751 -15.150 0.997 701 HB2 ARG 95 HB2 ARG 95 -5.792 -16.662 2.725 702 HB3 ARG 95 HB3 ARG 95 -4.764 -15.273 2.643 703 HG2 ARG 95 HG2 ARG 95 -6.751 -15.860 4.879 704 HG3 ARG 95 HG3 ARG 95 -5.049 -16.281 4.961 705 HD2 ARG 95 HD2 ARG 95 -4.523 -13.822 4.833 706 HD3 ARG 95 HD3 ARG 95 -6.273 -13.549 4.828 707 HE ARG 95 HE ARG 95 -5.590 -15.077 7.122 708 HH11 ARG 95 HH11 ARG 95 -5.263 -11.535 6.317 709 HH12 ARG 95 HH12 ARG 95 -5.236 -11.078 7.988 710 HH21 ARG 95 HH21 ARG 95 -5.541 -14.336 9.247 711 HH22 ARG 95 HH22 ARG 95 -5.392 -12.650 9.616 712 H LYS 96 H LYS 96 -8.036 -16.998 1.732 713 HA LYS 96 HA LYS 96 -10.876 -16.602 1.559 714 HB2 LYS 96 HB2 LYS 96 -9.262 -19.120 1.999 715 HB3 LYS 96 HB3 LYS 96 -10.996 -19.220 2.217 716 HG2 LYS 96 HG2 LYS 96 -11.341 -18.507 -0.124 717 HG3 LYS 96 HG3 LYS 96 -9.597 -18.351 -0.337 718 HD2 LYS 96 HD2 LYS 96 -9.313 -20.743 0.028 719 HD3 LYS 96 HD3 LYS 96 -11.044 -20.929 0.343 720 HE2 LYS 96 HE2 LYS 96 -11.510 -20.192 -1.972 721 HE3 LYS 96 HE3 LYS 96 -9.777 -20.047 -2.264 722 HZ1 LYS 96 HZ1 LYS 96 -11.215 -22.554 -1.576 723 HZ2 LYS 96 HZ2 LYS 96 -9.553 -22.423 -1.862 724 HZ3 LYS 96 HZ3 LYS 96 -10.651 -22.131 -3.115 725 HA PRO 97 HA PRO 97 -13.077 -15.650 5.502 726 HB2 PRO 97 HB2 PRO 97 -15.000 -17.952 5.135 727 HB3 PRO 97 HB3 PRO 97 -15.346 -16.265 5.531 728 HG2 PRO 97 HG2 PRO 97 -15.732 -17.067 3.073 729 HG3 PRO 97 HG3 PRO 97 -14.877 -15.535 3.340 730 HD2 PRO 97 HD2 PRO 97 -13.758 -18.228 2.619 731 HD3 PRO 97 HD3 PRO 97 -13.362 -16.636 1.942 732 HA PRO 98 HA PRO 98 -11.268 -18.090 9.152 733 HB2 PRO 98 HB2 PRO 98 -12.461 -16.047 10.983 734 HB3 PRO 98 HB3 PRO 98 -10.767 -16.472 10.744 735 HG2 PRO 98 HG2 PRO 98 -11.706 -14.135 9.862 736 HG3 PRO 98 HG3 PRO 98 -10.543 -15.057 8.889 737 HD2 PRO 98 HD2 PRO 98 -13.540 -14.912 8.608 738 HD3 PRO 98 HD3 PRO 98 -12.296 -14.693 7.357 739 H ALA 99 H ALA 99 -11.760 -19.555 10.899 740 HA ALA 99 HA ALA 99 -14.567 -20.318 11.338 741 HB1 ALA 99 HB1 ALA 99 -13.813 -22.634 11.808 742 HB2 ALA 99 HB2 ALA 99 -12.127 -22.127 11.715 743 HB3 ALA 99 HB3 ALA 99 -13.134 -22.093 10.268 744 H1 VAL 1 H1 VAL 1 6.342 1.252 15.249 745 H2 VAL 1 H2 VAL 1 5.826 2.832 14.944 746 H3 VAL 1 H3 VAL 1 4.833 1.529 14.526 747 HA VAL 1 HA VAL 1 4.236 2.801 16.484 748 HB VAL 1 HB VAL 1 3.632 0.806 18.095 749 HG11 VAL 1 HG11 VAL 1 2.008 -0.290 16.621 750 HG12 VAL 1 HG12 VAL 1 2.782 0.485 15.239 751 HG13 VAL 1 HG13 VAL 1 2.017 1.472 16.485 752 HG21 VAL 1 HG21 VAL 1 3.931 -1.589 17.251 753 HG22 VAL 1 HG22 VAL 1 5.471 -0.834 17.648 754 HG23 VAL 1 HG23 VAL 1 4.999 -0.984 15.979 755 H VAL 2 H VAL 2 6.973 0.815 17.550 756 HA VAL 2 HA VAL 2 7.834 2.895 19.435 757 HB VAL 2 HB VAL 2 7.214 0.572 20.390 758 HG11 VAL 2 HG11 VAL 2 8.718 -1.387 20.495 759 HG12 VAL 2 HG12 VAL 2 9.622 -0.694 19.151 760 HG13 VAL 2 HG13 VAL 2 7.924 -1.097 18.945 761 HG21 VAL 2 HG21 VAL 2 8.469 1.960 21.900 762 HG22 VAL 2 HG22 VAL 2 10.001 1.464 21.180 763 HG23 VAL 2 HG23 VAL 2 9.045 0.302 22.097 764 H SER 3 H SER 3 8.422 2.317 16.231 765 HA SER 3 HA SER 3 11.365 2.776 16.079 766 HB2 SER 3 HB2 SER 3 9.796 0.667 14.527 767 HB3 SER 3 HB3 SER 3 11.428 1.179 14.115 768 HG SER 3 HG SER 3 11.009 -0.782 15.576 769 H GLU 4 H GLU 4 8.109 3.371 14.904 770 HA GLU 4 HA GLU 4 8.814 5.072 12.581 771 HB2 GLU 4 HB2 GLU 4 7.718 2.762 12.080 772 HB3 GLU 4 HB3 GLU 4 6.339 3.259 12.996 773 HG2 GLU 4 HG2 GLU 4 5.786 3.193 10.929 774 HG3 GLU 4 HG3 GLU 4 5.867 4.920 11.295 775 H ARG 5 H ARG 5 7.497 6.976 12.186 776 HA ARG 5 HA ARG 5 5.767 8.059 14.289 777 HB2 ARG 5 HB2 ARG 5 6.297 10.484 13.306 778 HB3 ARG 5 HB3 ARG 5 7.493 9.720 14.302 779 HG2 ARG 5 HG2 ARG 5 8.724 10.859 12.593 780 HG3 ARG 5 HG3 ARG 5 8.764 9.185 12.088 781 HD2 ARG 5 HD2 ARG 5 7.005 9.677 10.394 782 HD3 ARG 5 HD3 ARG 5 6.957 11.356 10.940 783 HE ARG 5 HE ARG 5 9.594 10.930 10.292 784 HH11 ARG 5 HH11 ARG 5 6.705 10.696 8.084 785 HH12 ARG 5 HH12 ARG 5 7.644 11.109 6.688 786 HH21 ARG 5 HH21 ARG 5 10.682 11.451 8.394 787 HH22 ARG 5 HH22 ARG 5 9.861 11.529 6.872 788 H ILE 6 H ILE 6 5.763 7.474 10.799 789 HA ILE 6 HA ILE 6 4.453 7.608 9.091 790 HB ILE 6 HB ILE 6 3.478 5.540 10.326 791 HG12 ILE 6 HG12 ILE 6 1.486 6.718 8.191 792 HG13 ILE 6 HG13 ILE 6 2.998 5.930 7.841 793 HG21 ILE 6 HG21 ILE 6 1.127 5.432 11.229 794 HG22 ILE 6 HG22 ILE 6 1.050 7.190 11.126 795 HG23 ILE 6 HG23 ILE 6 2.240 6.427 12.179 796 HD11 ILE 6 HD11 ILE 6 0.466 4.540 8.832 797 HD12 ILE 6 HD12 ILE 6 2.003 3.736 8.474 798 HD13 ILE 6 HD13 ILE 6 1.098 4.489 7.189 799 H SER 7 H SER 7 4.558 9.398 8.140 800 HA SER 7 HA SER 7 2.248 11.297 8.045 801 HB2 SER 7 HB2 SER 7 4.272 12.339 9.311 802 HB3 SER 7 HB3 SER 7 5.221 12.186 7.840 803 HG SER 7 HG SER 7 3.532 14.158 8.585 804 H SER 8 H SER 8 2.655 8.971 6.317 805 HA SER 8 HA SER 8 3.712 9.703 3.670 806 HB2 SER 8 HB2 SER 8 2.884 6.923 4.735 807 HB3 SER 8 HB3 SER 8 3.576 7.259 3.178 808 HG SER 8 HG SER 8 5.393 8.232 4.366 809 H VAL 9 H VAL 9 2.426 8.203 1.713 810 HA VAL 9 HA VAL 9 -0.400 9.158 1.462 811 HB VAL 9 HB VAL 9 1.348 8.565 -1.125 812 HG11 VAL 9 HG11 VAL 9 -0.894 10.541 -0.801 813 HG12 VAL 9 HG12 VAL 9 -0.973 8.948 -1.554 814 HG13 VAL 9 HG13 VAL 9 -0.001 10.224 -2.289 815 HG21 VAL 9 HG21 VAL 9 2.035 10.930 -1.467 816 HG22 VAL 9 HG22 VAL 9 2.759 10.283 0.003 817 HG23 VAL 9 HG23 VAL 9 1.372 11.366 0.110 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 -8.060 -33.249 -5.329 2 H2 GLY 1 H2 GLY 1 -7.171 -33.200 -3.892 3 H3 GLY 1 H3 GLY 1 -6.552 -32.480 -5.291 4 HA2 GLY 1 HA2 GLY 1 -8.351 -30.857 -5.292 5 HA3 GLY 1 HA3 GLY 1 -8.992 -31.603 -3.836 6 H ALA 2 H ALA 2 -6.501 -29.544 -5.229 7 HA ALA 2 HA ALA 2 -5.418 -28.702 -2.596 8 HB1 ALA 2 HB1 ALA 2 -3.677 -29.680 -4.128 9 HB2 ALA 2 HB2 ALA 2 -3.335 -27.988 -3.749 10 HB3 ALA 2 HB3 ALA 2 -4.034 -28.412 -5.308 11 H MET 3 H MET 3 -5.593 -26.663 -1.809 12 HA MET 3 HA MET 3 -6.718 -24.517 -3.485 13 HB2 MET 3 HB2 MET 3 -7.462 -25.179 -0.626 14 HB3 MET 3 HB3 MET 3 -7.552 -23.504 -1.122 15 HG2 MET 3 HG2 MET 3 -9.111 -25.801 -2.376 16 HG3 MET 3 HG3 MET 3 -9.670 -24.616 -1.186 17 HE1 MET 3 HE1 MET 3 -11.662 -23.699 -4.486 18 HE2 MET 3 HE2 MET 3 -11.807 -24.201 -2.802 19 HE3 MET 3 HE3 MET 3 -11.150 -25.316 -4.001 20 H GLU 4 H GLU 4 -6.213 -22.493 -3.460 21 HA GLU 4 HA GLU 4 -3.679 -21.486 -2.223 22 HB2 GLU 4 HB2 GLU 4 -4.474 -20.896 -5.160 23 HB3 GLU 4 HB3 GLU 4 -3.164 -20.131 -4.338 24 HG2 GLU 4 HG2 GLU 4 -1.900 -22.250 -4.192 25 HG3 GLU 4 HG3 GLU 4 -3.220 -23.110 -4.969 26 H MET 5 H MET 5 -3.422 -18.996 -2.229 27 HA MET 5 HA MET 5 -5.794 -17.647 -1.248 28 HB2 MET 5 HB2 MET 5 -4.253 -15.764 -0.395 29 HB3 MET 5 HB3 MET 5 -3.845 -17.332 0.242 30 HG2 MET 5 HG2 MET 5 -1.932 -17.377 -1.409 31 HG3 MET 5 HG3 MET 5 -2.327 -15.724 -1.841 32 HE1 MET 5 HE1 MET 5 0.197 -14.991 -1.232 33 HE2 MET 5 HE2 MET 5 0.571 -16.650 -0.761 34 HE3 MET 5 HE3 MET 5 0.956 -15.316 0.326 35 H GLU 6 H GLU 6 -6.018 -15.033 -1.714 36 HA GLU 6 HA GLU 6 -6.387 -14.750 -4.602 37 HB2 GLU 6 HB2 GLU 6 -8.824 -13.835 -4.424 38 HB3 GLU 6 HB3 GLU 6 -8.647 -15.536 -4.098 39 HG2 GLU 6 HG2 GLU 6 -8.963 -15.085 -1.645 40 HG3 GLU 6 HG3 GLU 6 -9.092 -13.365 -1.981 41 H TYR 7 H TYR 7 -5.779 -13.099 -5.639 42 HA TYR 7 HA TYR 7 -4.945 -10.611 -4.245 43 HB2 TYR 7 HB2 TYR 7 -3.945 -11.671 -6.956 44 HB3 TYR 7 HB3 TYR 7 -3.370 -10.233 -6.189 45 HD1 TYR 7 HD1 TYR 7 -3.248 -13.984 -5.901 46 HD2 TYR 7 HD2 TYR 7 -1.633 -10.281 -4.608 47 HE1 TYR 7 HE1 TYR 7 -1.393 -15.201 -4.924 48 HE2 TYR 7 HE2 TYR 7 0.337 -11.480 -3.630 49 HH TYR 7 HH TYR 7 0.849 -13.760 -2.777 50 H GLU 8 H GLU 8 -5.331 -8.498 -4.990 51 HA GLU 8 HA GLU 8 -7.396 -8.075 -7.099 52 HB2 GLU 8 HB2 GLU 8 -8.345 -8.021 -4.575 53 HB3 GLU 8 HB3 GLU 8 -7.607 -6.439 -4.493 54 HG2 GLU 8 HG2 GLU 8 -9.143 -5.628 -6.284 55 HG3 GLU 8 HG3 GLU 8 -9.847 -7.231 -6.414 56 H GLU 9 H GLU 9 -6.984 -6.563 -8.620 57 HA GLU 9 HA GLU 9 -4.966 -4.503 -8.185 58 HB2 GLU 9 HB2 GLU 9 -4.603 -4.357 -10.745 59 HB3 GLU 9 HB3 GLU 9 -4.174 -5.890 -10.025 60 HG2 GLU 9 HG2 GLU 9 -6.218 -6.946 -11.039 61 HG3 GLU 9 HG3 GLU 9 -6.680 -5.397 -11.724 62 H ILE 10 H ILE 10 -5.498 -2.483 -7.735 63 HA ILE 10 HA ILE 10 -8.025 -1.324 -8.771 64 HB ILE 10 HB ILE 10 -6.710 -0.575 -6.035 65 HG12 ILE 10 HG12 ILE 10 -9.417 -1.947 -5.939 66 HG13 ILE 10 HG13 ILE 10 -8.049 -2.975 -6.315 67 HG21 ILE 10 HG21 ILE 10 -8.221 1.289 -6.916 68 HG22 ILE 10 HG22 ILE 10 -8.977 0.613 -5.464 69 HG23 ILE 10 HG23 ILE 10 -9.569 0.151 -7.068 70 HD11 ILE 10 HD11 ILE 10 -6.977 -2.148 -4.187 71 HD12 ILE 10 HD12 ILE 10 -8.387 -3.199 -3.946 72 HD13 ILE 10 HD13 ILE 10 -8.544 -1.441 -3.717 73 H THR 11 H THR 11 -8.036 0.752 -9.684 74 HA THR 11 HA THR 11 -5.540 2.391 -10.001 75 HB THR 11 HB THR 11 -7.696 2.410 -12.257 76 HG1 THR 11 HG1 THR 11 -7.047 0.221 -12.154 77 HG21 THR 11 HG21 THR 11 -5.863 4.142 -12.392 78 HG22 THR 11 HG22 THR 11 -5.795 3.036 -13.766 79 HG23 THR 11 HG23 THR 11 -4.669 2.846 -12.419 80 H LEU 12 H LEU 12 -5.518 4.336 -9.262 81 HA LEU 12 HA LEU 12 -7.947 5.887 -8.587 82 HB2 LEU 12 HB2 LEU 12 -5.382 5.581 -6.912 83 HB3 LEU 12 HB3 LEU 12 -6.360 6.989 -6.722 84 HG LEU 12 HG LEU 12 -6.696 5.661 -4.848 85 HD11 LEU 12 HD11 LEU 12 -8.756 6.581 -5.335 86 HD12 LEU 12 HD12 LEU 12 -9.027 4.970 -4.669 87 HD13 LEU 12 HD13 LEU 12 -9.192 5.244 -6.402 88 HD21 LEU 12 HD21 LEU 12 -5.794 3.529 -5.480 89 HD22 LEU 12 HD22 LEU 12 -7.188 3.191 -6.507 90 HD23 LEU 12 HD23 LEU 12 -7.385 3.280 -4.759 91 H GLU 13 H GLU 13 -8.077 8.040 -9.086 92 HA GLU 13 HA GLU 13 -5.768 9.396 -10.235 93 HB2 GLU 13 HB2 GLU 13 -7.359 11.168 -11.255 94 HB3 GLU 13 HB3 GLU 13 -7.596 9.567 -11.882 95 HG2 GLU 13 HG2 GLU 13 -9.626 9.460 -10.301 96 HG3 GLU 13 HG3 GLU 13 -9.315 11.181 -10.073 97 H ARG 14 H ARG 14 -4.767 11.122 -9.352 98 HA ARG 14 HA ARG 14 -4.729 11.479 -6.552 99 HB2 ARG 14 HB2 ARG 14 -2.751 11.756 -8.263 100 HB3 ARG 14 HB3 ARG 14 -3.254 13.425 -8.427 101 HG2 ARG 14 HG2 ARG 14 -2.760 13.755 -5.972 102 HG3 ARG 14 HG3 ARG 14 -2.189 12.092 -5.899 103 HD2 ARG 14 HD2 ARG 14 -0.426 12.621 -7.507 104 HD3 ARG 14 HD3 ARG 14 -1.019 14.280 -7.629 105 HE ARG 14 HE ARG 14 -0.418 13.594 -4.914 106 HH11 ARG 14 HH11 ARG 14 1.512 14.752 -7.782 107 HH12 ARG 14 HH12 ARG 14 2.776 15.373 -6.773 108 HH21 ARG 14 HH21 ARG 14 1.291 14.451 -3.737 109 HH22 ARG 14 HH22 ARG 14 2.645 15.202 -4.516 110 H GLY 15 H GLY 15 -5.978 12.332 -5.186 111 HA2 GLY 15 HA2 GLY 15 -8.150 14.196 -5.718 112 HA3 GLY 15 HA3 GLY 15 -7.791 13.465 -4.182 113 H ASN 16 H ASN 16 -8.687 15.533 -3.418 114 HA ASN 16 HA ASN 16 -7.209 18.058 -3.654 115 HB2 ASN 16 HB2 ASN 16 -9.883 17.445 -2.275 116 HB3 ASN 16 HB3 ASN 16 -9.131 19.019 -2.155 117 HD21 ASN 16 HD21 ASN 16 -10.931 16.819 -4.177 118 HD22 ASN 16 HD22 ASN 16 -11.279 17.923 -5.459 119 H SER 17 H SER 17 -7.518 15.562 -1.122 120 HA SER 17 HA SER 17 -6.058 17.116 0.904 121 HB2 SER 17 HB2 SER 17 -6.870 15.383 2.606 122 HB3 SER 17 HB3 SER 17 -8.159 16.283 1.826 123 HG SER 17 HG SER 17 -8.221 13.795 2.062 124 H GLY 18 H GLY 18 -5.278 14.247 -1.326 125 HA2 GLY 18 HA2 GLY 18 -2.987 13.701 -1.603 126 HA3 GLY 18 HA3 GLY 18 -2.811 13.709 0.147 127 H LEU 19 H LEU 19 -5.496 12.477 -1.826 128 HA LEU 19 HA LEU 19 -6.559 10.664 -2.354 129 HB2 LEU 19 HB2 LEU 19 -4.076 8.837 -1.947 130 HB3 LEU 19 HB3 LEU 19 -5.576 8.517 -2.840 131 HG LEU 19 HG LEU 19 -4.218 10.837 -3.820 132 HD11 LEU 19 HD11 LEU 19 -2.900 8.091 -4.010 133 HD12 LEU 19 HD12 LEU 19 -2.251 9.470 -3.139 134 HD13 LEU 19 HD13 LEU 19 -2.375 9.529 -4.899 135 HD21 LEU 19 HD21 LEU 19 -6.039 9.815 -4.934 136 HD22 LEU 19 HD22 LEU 19 -5.241 8.237 -4.975 137 HD23 LEU 19 HD23 LEU 19 -4.619 9.585 -5.970 138 H GLY 20 H GLY 20 -5.490 10.475 0.926 139 HA2 GLY 20 HA2 GLY 20 -7.107 10.410 2.699 140 HA3 GLY 20 HA3 GLY 20 -8.166 9.469 1.685 141 H PHE 21 H PHE 21 -4.628 8.633 2.368 142 HA PHE 21 HA PHE 21 -5.110 6.888 4.539 143 HB2 PHE 21 HB2 PHE 21 -4.373 4.700 3.492 144 HB3 PHE 21 HB3 PHE 21 -5.753 5.290 2.651 145 HD1 PHE 21 HD1 PHE 21 -5.225 6.492 0.175 146 HD2 PHE 21 HD2 PHE 21 -2.535 3.865 2.273 147 HE1 PHE 21 HE1 PHE 21 -4.100 5.989 -1.920 148 HE2 PHE 21 HE2 PHE 21 -1.390 3.370 0.127 149 HZ PHE 21 HZ PHE 21 -2.171 4.430 -1.962 150 H SER 22 H SER 22 -2.689 5.809 5.313 151 HA SER 22 HA SER 22 -0.373 7.093 4.098 152 HB2 SER 22 HB2 SER 22 -0.809 7.042 7.135 153 HB3 SER 22 HB3 SER 22 0.723 7.344 6.283 154 HG SER 22 HG SER 22 -0.876 9.039 5.220 155 H ILE 23 H ILE 23 1.672 5.900 4.175 156 HA ILE 23 HA ILE 23 1.419 3.098 4.937 157 HB ILE 23 HB ILE 23 2.796 2.306 2.888 158 HG12 ILE 23 HG12 ILE 23 1.851 3.315 0.635 159 HG13 ILE 23 HG13 ILE 23 1.363 4.707 1.571 160 HG21 ILE 23 HG21 ILE 23 0.820 1.466 3.553 161 HG22 ILE 23 HG22 ILE 23 0.526 1.796 1.788 162 HG23 ILE 23 HG23 ILE 23 0.002 2.928 3.097 163 HD11 ILE 23 HD11 ILE 23 3.839 5.207 1.932 164 HD12 ILE 23 HD12 ILE 23 3.289 5.301 0.276 165 HD13 ILE 23 HD13 ILE 23 4.209 3.891 0.792 166 H ALA 24 H ALA 24 2.655 1.703 5.705 167 HA ALA 24 HA ALA 24 5.215 2.708 6.778 168 HB1 ALA 24 HB1 ALA 24 4.807 1.192 8.766 169 HB2 ALA 24 HB2 ALA 24 3.349 0.570 8.024 170 HB3 ALA 24 HB3 ALA 24 3.401 2.232 8.529 171 H GLY 25 H GLY 25 7.027 1.908 6.028 172 HA2 GLY 25 HA2 GLY 25 7.552 -0.848 5.202 173 HA3 GLY 25 HA3 GLY 25 7.516 0.294 3.870 174 H GLY 26 H GLY 26 9.802 -1.206 4.328 175 HA2 GLY 26 HA2 GLY 26 11.931 0.593 4.701 176 HA3 GLY 26 HA3 GLY 26 11.613 -0.033 6.287 177 H THR 27 H THR 27 13.711 -0.085 3.901 178 HA THR 27 HA THR 27 14.754 -2.693 4.710 179 HB THR 27 HB THR 27 16.793 -2.165 3.037 180 HG1 THR 27 HG1 THR 27 15.860 -0.016 2.583 181 HG21 THR 27 HG21 THR 27 15.638 -3.299 1.141 182 HG22 THR 27 HG22 THR 27 14.103 -3.052 1.978 183 HG23 THR 27 HG23 THR 27 15.352 -4.063 2.705 184 H ASP 28 H ASP 28 15.545 0.747 5.054 185 HA ASP 28 HA ASP 28 17.765 0.130 6.866 186 HB2 ASP 28 HB2 ASP 28 17.328 2.728 5.282 187 HB3 ASP 28 HB3 ASP 28 18.448 2.681 6.629 188 H ASN 29 H ASN 29 14.622 1.852 6.738 189 HA ASN 29 HA ASN 29 14.718 2.711 9.532 190 HB2 ASN 29 HB2 ASN 29 13.081 3.899 7.213 191 HB3 ASN 29 HB3 ASN 29 12.614 4.216 8.870 192 HD21 ASN 29 HD21 ASN 29 14.925 4.889 6.336 193 HD22 ASN 29 HD22 ASN 29 15.738 6.196 7.119 194 HA PRO 30 HA PRO 30 11.660 -0.723 10.730 195 HB2 PRO 30 HB2 PRO 30 11.568 0.068 13.510 196 HB3 PRO 30 HB3 PRO 30 12.409 -1.279 12.781 197 HG2 PRO 30 HG2 PRO 30 13.688 0.945 13.913 198 HG3 PRO 30 HG3 PRO 30 14.437 -0.261 12.864 199 HD2 PRO 30 HD2 PRO 30 13.589 2.532 12.196 200 HD3 PRO 30 HD3 PRO 30 14.826 1.501 11.484 201 H HIS 31 H HIS 31 9.532 -1.184 11.452 202 HA HIS 31 HA HIS 31 7.628 0.989 11.929 203 HB2 HIS 31 HB2 HIS 31 6.935 -0.027 9.784 204 HB3 HIS 31 HB3 HIS 31 7.293 -1.644 10.333 205 HD1 HIS 31 HD1 HIS 31 4.643 1.020 11.308 206 HD2 HIS 31 HD2 HIS 31 4.919 -3.076 10.674 207 HE1 HIS 31 HE1 HIS 31 2.361 0.095 11.761 208 HE2 HIS 31 HE2 HIS 31 2.540 -2.359 11.302 209 H ILE 32 H ILE 32 8.279 -2.492 12.943 210 HA ILE 32 HA ILE 32 6.735 -2.241 15.394 211 HB ILE 32 HB ILE 32 5.396 -3.268 13.411 212 HG12 ILE 32 HG12 ILE 32 4.683 -5.498 14.806 213 HG13 ILE 32 HG13 ILE 32 5.637 -4.521 15.954 214 HG21 ILE 32 HG21 ILE 32 6.865 -4.645 12.172 215 HG22 ILE 32 HG22 ILE 32 5.466 -5.576 12.671 216 HG23 ILE 32 HG23 ILE 32 7.010 -5.808 13.505 217 HD11 ILE 32 HD11 ILE 32 3.110 -4.095 16.139 218 HD12 ILE 32 HD12 ILE 32 3.226 -3.440 14.477 219 HD13 ILE 32 HD13 ILE 32 4.127 -2.677 15.793 220 H GLY 33 H GLY 33 9.685 -2.341 14.656 221 HA2 GLY 33 HA2 GLY 33 11.656 -2.813 15.907 222 HA3 GLY 33 HA3 GLY 33 10.901 -4.270 16.592 223 H ASP 34 H ASP 34 11.853 -2.839 13.419 224 HA ASP 34 HA ASP 34 12.804 -3.340 11.585 225 HB2 ASP 34 HB2 ASP 34 14.557 -5.110 13.273 226 HB3 ASP 34 HB3 ASP 34 14.861 -5.119 11.527 227 H ASP 35 H ASP 35 11.000 -3.702 10.695 228 HA ASP 35 HA ASP 35 10.255 -6.394 9.684 229 HB2 ASP 35 HB2 ASP 35 8.533 -4.764 10.820 230 HB3 ASP 35 HB3 ASP 35 8.591 -3.818 9.361 231 HA PRO 36 HA PRO 36 12.173 -5.421 5.411 232 HB2 PRO 36 HB2 PRO 36 11.363 -8.083 4.404 233 HB3 PRO 36 HB3 PRO 36 12.982 -7.454 4.696 234 HG2 PRO 36 HG2 PRO 36 11.913 -9.406 6.235 235 HG3 PRO 36 HG3 PRO 36 13.011 -8.186 6.902 236 HD2 PRO 36 HD2 PRO 36 9.997 -8.278 7.014 237 HD3 PRO 36 HD3 PRO 36 11.151 -7.974 8.334 238 H SER 37 H SER 37 8.727 -6.617 5.405 239 HA SER 37 HA SER 37 8.123 -5.713 2.669 240 HB2 SER 37 HB2 SER 37 5.914 -7.007 2.936 241 HB3 SER 37 HB3 SER 37 7.350 -8.000 3.112 242 HG SER 37 HG SER 37 5.947 -8.550 4.763 243 H ILE 38 H ILE 38 6.194 -4.391 1.992 244 HA ILE 38 HA ILE 38 5.623 -2.186 3.862 245 HB ILE 38 HB ILE 38 4.754 -1.856 0.931 246 HG12 ILE 38 HG12 ILE 38 6.966 -2.062 -0.135 247 HG13 ILE 38 HG13 ILE 38 7.056 -0.487 0.445 248 HG21 ILE 38 HG21 ILE 38 4.037 -0.033 2.174 249 HG22 ILE 38 HG22 ILE 38 5.262 0.566 1.058 250 HG23 ILE 38 HG23 ILE 38 5.665 0.329 2.759 251 HD11 ILE 38 HD11 ILE 38 8.604 -0.907 2.214 252 HD12 ILE 38 HD12 ILE 38 9.195 -1.782 0.781 253 HD13 ILE 38 HD13 ILE 38 8.395 -2.658 2.059 254 H PHE 39 H PHE 39 3.789 -1.800 4.861 255 HA PHE 39 HA PHE 39 1.284 -3.304 4.420 256 HB2 PHE 39 HB2 PHE 39 2.619 -4.641 6.015 257 HB3 PHE 39 HB3 PHE 39 3.124 -3.238 6.896 258 HD1 PHE 39 HD1 PHE 39 -0.117 -5.231 6.310 259 HD2 PHE 39 HD2 PHE 39 2.387 -3.131 9.047 260 HE1 PHE 39 HE1 PHE 39 -1.601 -5.893 8.180 261 HE2 PHE 39 HE2 PHE 39 0.950 -3.803 10.924 262 HZ PHE 39 HZ PHE 39 -1.074 -5.182 10.487 263 H ILE 40 H ILE 40 -0.745 -2.283 5.161 264 HA ILE 40 HA ILE 40 -0.796 0.591 5.685 265 HB ILE 40 HB ILE 40 -3.391 -0.970 5.818 266 HG12 ILE 40 HG12 ILE 40 -2.541 -2.099 3.733 267 HG13 ILE 40 HG13 ILE 40 -3.930 -1.133 3.345 268 HG21 ILE 40 HG21 ILE 40 -3.770 1.332 6.153 269 HG22 ILE 40 HG22 ILE 40 -4.563 0.838 4.670 270 HG23 ILE 40 HG23 ILE 40 -3.055 1.755 4.581 271 HD11 ILE 40 HD11 ILE 40 -2.335 -1.000 1.542 272 HD12 ILE 40 HD12 ILE 40 -1.053 -0.561 2.772 273 HD13 ILE 40 HD13 ILE 40 -2.366 0.555 2.472 274 H THR 41 H THR 41 -1.703 1.587 7.356 275 HA THR 41 HA THR 41 -2.678 0.445 9.801 276 HB THR 41 HB THR 41 -1.021 1.758 11.454 277 HG1 THR 41 HG1 THR 41 0.732 2.489 10.679 278 HG21 THR 41 HG21 THR 41 -1.249 -0.732 11.485 279 HG22 THR 41 HG22 THR 41 0.409 -0.166 11.796 280 HG23 THR 41 HG23 THR 41 -0.001 -0.782 10.214 281 H LYS 42 H LYS 42 -2.287 3.490 7.870 282 HA LYS 42 HA LYS 42 -4.270 4.687 9.662 283 HB2 LYS 42 HB2 LYS 42 -1.760 5.752 9.497 284 HB3 LYS 42 HB3 LYS 42 -2.418 6.514 8.071 285 HG2 LYS 42 HG2 LYS 42 -3.968 6.895 10.581 286 HG3 LYS 42 HG3 LYS 42 -2.382 7.665 10.513 287 HD2 LYS 42 HD2 LYS 42 -3.077 8.903 8.496 288 HD3 LYS 42 HD3 LYS 42 -4.630 8.054 8.520 289 HE2 LYS 42 HE2 LYS 42 -5.272 9.074 10.520 290 HE3 LYS 42 HE3 LYS 42 -3.641 9.730 10.800 291 HZ1 LYS 42 HZ1 LYS 42 -5.196 11.434 10.042 292 HZ2 LYS 42 HZ2 LYS 42 -5.563 10.523 8.666 293 HZ3 LYS 42 HZ3 LYS 42 -4.012 11.168 8.860 294 H ILE 43 H ILE 43 -6.210 5.031 8.868 295 HA ILE 43 HA ILE 43 -6.645 5.622 6.064 296 HB ILE 43 HB ILE 43 -8.471 3.797 7.819 297 HG12 ILE 43 HG12 ILE 43 -6.809 2.277 6.811 298 HG13 ILE 43 HG13 ILE 43 -8.274 1.889 6.060 299 HG21 ILE 43 HG21 ILE 43 -10.204 4.979 6.816 300 HG22 ILE 43 HG22 ILE 43 -10.213 3.379 6.036 301 HG23 ILE 43 HG23 ILE 43 -9.515 4.781 5.200 302 HD11 ILE 43 HD11 ILE 43 -6.448 1.801 4.399 303 HD12 ILE 43 HD12 ILE 43 -5.950 3.425 4.805 304 HD13 ILE 43 HD13 ILE 43 -7.466 3.191 3.944 305 H ILE 44 H ILE 44 -7.656 7.610 5.650 306 HA ILE 44 HA ILE 44 -8.805 9.231 7.749 307 HB ILE 44 HB ILE 44 -8.155 10.001 4.750 308 HG12 ILE 44 HG12 ILE 44 -6.522 11.727 5.690 309 HG13 ILE 44 HG13 ILE 44 -6.750 10.976 7.280 310 HG21 ILE 44 HG21 ILE 44 -9.144 12.002 6.764 311 HG22 ILE 44 HG22 ILE 44 -10.016 11.433 5.321 312 HG23 ILE 44 HG23 ILE 44 -8.523 12.385 5.144 313 HD11 ILE 44 HD11 ILE 44 -5.759 9.004 6.419 314 HD12 ILE 44 HD12 ILE 44 -4.630 10.378 6.158 315 HD13 ILE 44 HD13 ILE 44 -5.641 9.720 4.822 316 HA PRO 45 HA PRO 45 -13.298 7.914 7.171 317 HB2 PRO 45 HB2 PRO 45 -14.139 10.477 8.491 318 HB3 PRO 45 HB3 PRO 45 -14.483 8.813 8.968 319 HG2 PRO 45 HG2 PRO 45 -12.740 10.248 10.370 320 HG3 PRO 45 HG3 PRO 45 -12.391 8.547 10.004 321 HD2 PRO 45 HD2 PRO 45 -11.330 11.016 8.608 322 HD3 PRO 45 HD3 PRO 45 -10.419 9.618 9.188 323 H GLY 46 H GLY 46 -12.364 11.055 5.745 324 HA2 GLY 46 HA2 GLY 46 -14.595 10.977 3.788 325 HA3 GLY 46 HA3 GLY 46 -14.073 12.490 4.493 326 H GLY 47 H GLY 47 -11.778 9.863 3.293 327 HA2 GLY 47 HA2 GLY 47 -10.693 11.548 1.150 328 HA3 GLY 47 HA3 GLY 47 -10.042 10.032 1.725 329 H ALA 48 H ALA 48 -9.764 10.121 -0.797 330 HA ALA 48 HA ALA 48 -11.938 9.401 -2.561 331 HB1 ALA 48 HB1 ALA 48 -10.159 11.019 -3.261 332 HB2 ALA 48 HB2 ALA 48 -10.289 9.675 -4.396 333 HB3 ALA 48 HB3 ALA 48 -8.975 9.722 -3.219 334 H ALA 49 H ALA 49 -9.134 7.538 -1.174 335 HA ALA 49 HA ALA 49 -9.594 5.050 -2.600 336 HB1 ALA 49 HB1 ALA 49 -7.671 5.555 -0.317 337 HB2 ALA 49 HB2 ALA 49 -7.324 5.815 -2.033 338 HB3 ALA 49 HB3 ALA 49 -7.660 4.186 -1.440 339 H ALA 50 H ALA 50 -10.743 6.292 0.516 340 HA ALA 50 HA ALA 50 -11.606 3.781 1.727 341 HB1 ALA 50 HB1 ALA 50 -12.070 6.628 2.751 342 HB2 ALA 50 HB2 ALA 50 -10.678 5.642 3.162 343 HB3 ALA 50 HB3 ALA 50 -12.285 5.148 3.681 344 H GLN 51 H GLN 51 -13.337 6.680 0.236 345 HA GLN 51 HA GLN 51 -15.972 5.470 0.355 346 HB2 GLN 51 HB2 GLN 51 -15.180 8.255 -0.634 347 HB3 GLN 51 HB3 GLN 51 -16.838 7.692 -0.565 348 HG2 GLN 51 HG2 GLN 51 -16.373 7.405 2.001 349 HG3 GLN 51 HG3 GLN 51 -14.965 8.358 1.705 350 HE21 GLN 51 HE21 GLN 51 -18.476 8.539 1.905 351 HE22 GLN 51 HE22 GLN 51 -18.595 10.263 1.902 352 H ASP 52 H ASP 52 -13.881 6.715 -2.530 353 HA ASP 52 HA ASP 52 -15.741 5.614 -4.460 354 HB2 ASP 52 HB2 ASP 52 -13.530 7.648 -4.621 355 HB3 ASP 52 HB3 ASP 52 -14.078 6.883 -6.087 356 H GLY 53 H GLY 53 -12.400 4.721 -3.388 357 HA2 GLY 53 HA2 GLY 53 -11.695 3.116 -5.762 358 HA3 GLY 53 HA3 GLY 53 -10.672 3.431 -4.388 359 H ARG 54 H ARG 54 -12.122 2.298 -2.244 360 HA ARG 54 HA ARG 54 -12.677 0.662 -1.021 361 HB2 ARG 54 HB2 ARG 54 -13.444 -0.891 -3.474 362 HB3 ARG 54 HB3 ARG 54 -13.474 -1.752 -1.938 363 HG2 ARG 54 HG2 ARG 54 -15.189 -0.053 -1.126 364 HG3 ARG 54 HG3 ARG 54 -15.160 0.683 -2.722 365 HD2 ARG 54 HD2 ARG 54 -17.117 -0.671 -2.688 366 HD3 ARG 54 HD3 ARG 54 -15.947 -1.577 -3.631 367 HE ARG 54 HE ARG 54 -15.845 -2.467 -0.921 368 HH11 ARG 54 HH11 ARG 54 -18.193 -3.016 -3.651 369 HH12 ARG 54 HH12 ARG 54 -18.762 -4.502 -2.966 370 HH21 ARG 54 HH21 ARG 54 -16.676 -4.406 -0.149 371 HH22 ARG 54 HH22 ARG 54 -17.906 -5.271 -1.008 372 H LEU 55 H LEU 55 -10.399 1.231 -0.657 373 HA LEU 55 HA LEU 55 -8.831 -1.163 -0.052 374 HB2 LEU 55 HB2 LEU 55 -7.634 0.440 -1.368 375 HB3 LEU 55 HB3 LEU 55 -8.131 1.803 -0.401 376 HG LEU 55 HG LEU 55 -6.454 0.395 1.325 377 HD11 LEU 55 HD11 LEU 55 -5.772 -1.206 -0.369 378 HD12 LEU 55 HD12 LEU 55 -4.431 -0.168 0.112 379 HD13 LEU 55 HD13 LEU 55 -5.257 0.112 -1.421 380 HD21 LEU 55 HD21 LEU 55 -4.941 2.225 0.877 381 HD22 LEU 55 HD22 LEU 55 -6.661 2.717 0.787 382 HD23 LEU 55 HD23 LEU 55 -5.759 2.471 -0.684 383 H ARG 56 H ARG 56 -8.565 -1.873 1.934 384 HA ARG 56 HA ARG 56 -9.204 -0.335 4.348 385 HB2 ARG 56 HB2 ARG 56 -10.048 -2.497 5.576 386 HB3 ARG 56 HB3 ARG 56 -10.795 -2.264 4.032 387 HG2 ARG 56 HG2 ARG 56 -9.652 -4.130 3.111 388 HG3 ARG 56 HG3 ARG 56 -8.700 -4.314 4.598 389 HD2 ARG 56 HD2 ARG 56 -10.749 -4.455 5.845 390 HD3 ARG 56 HD3 ARG 56 -11.673 -4.417 4.353 391 HE ARG 56 HE ARG 56 -9.799 -6.551 4.167 392 HH11 ARG 56 HH11 ARG 56 -12.956 -6.208 5.964 393 HH12 ARG 56 HH12 ARG 56 -13.199 -7.922 6.026 394 HH21 ARG 56 HH21 ARG 56 -10.244 -8.754 4.324 395 HH22 ARG 56 HH22 ARG 56 -11.675 -9.338 5.104 396 H VAL 57 H VAL 57 -7.984 -0.858 6.407 397 HA VAL 57 HA VAL 57 -5.108 -0.940 6.317 398 HB VAL 57 HB VAL 57 -5.105 -1.482 8.920 399 HG11 VAL 57 HG11 VAL 57 -5.789 0.766 9.585 400 HG12 VAL 57 HG12 VAL 57 -6.458 0.984 7.949 401 HG13 VAL 57 HG13 VAL 57 -4.738 0.686 8.165 402 HG21 VAL 57 HG21 VAL 57 -7.148 -1.150 10.205 403 HG22 VAL 57 HG22 VAL 57 -7.407 -2.455 8.962 404 HG23 VAL 57 HG23 VAL 57 -8.001 -0.789 8.672 405 H ASN 58 H ASN 58 -7.238 -3.498 6.433 406 HA ASN 58 HA ASN 58 -5.420 -5.658 6.934 407 HB2 ASN 58 HB2 ASN 58 -7.772 -5.322 7.958 408 HB3 ASN 58 HB3 ASN 58 -8.444 -5.821 6.429 409 HD21 ASN 58 HD21 ASN 58 -8.363 -8.068 5.842 410 HD22 ASN 58 HD22 ASN 58 -7.979 -9.312 6.977 411 H ASP 59 H ASP 59 -6.204 -3.755 3.949 412 HA ASP 59 HA ASP 59 -6.250 -5.987 2.093 413 HB2 ASP 59 HB2 ASP 59 -6.544 -3.058 1.692 414 HB3 ASP 59 HB3 ASP 59 -5.747 -3.904 0.362 415 H SER 60 H SER 60 -3.506 -3.832 3.101 416 HA SER 60 HA SER 60 -1.282 -3.637 2.650 417 HB2 SER 60 HB2 SER 60 -1.403 -5.555 4.339 418 HB3 SER 60 HB3 SER 60 -1.298 -6.687 2.999 419 HG SER 60 HG SER 60 0.805 -5.174 2.717 420 H ILE 61 H ILE 61 0.009 -2.988 1.027 421 HA ILE 61 HA ILE 61 -0.381 -4.068 -1.691 422 HB ILE 61 HB ILE 61 1.474 -1.573 -1.237 423 HG12 ILE 61 HG12 ILE 61 -1.489 -1.056 -1.946 424 HG13 ILE 61 HG13 ILE 61 -1.080 -1.286 -0.260 425 HG21 ILE 61 HG21 ILE 61 -0.229 -2.321 -3.696 426 HG22 ILE 61 HG22 ILE 61 1.504 -2.538 -3.558 427 HG23 ILE 61 HG23 ILE 61 0.833 -0.908 -3.601 428 HD11 ILE 61 HD11 ILE 61 -0.066 0.934 -2.064 429 HD12 ILE 61 HD12 ILE 61 0.381 0.755 -0.370 430 HD13 ILE 61 HD13 ILE 61 -1.298 1.124 -0.808 431 H LEU 62 H LEU 62 0.911 -5.468 -2.853 432 HA LEU 62 HA LEU 62 3.736 -5.936 -2.090 433 HB2 LEU 62 HB2 LEU 62 3.690 -7.981 -3.481 434 HB3 LEU 62 HB3 LEU 62 2.452 -8.055 -2.233 435 HG LEU 62 HG LEU 62 1.603 -7.415 -5.064 436 HD11 LEU 62 HD11 LEU 62 2.999 -9.348 -5.220 437 HD12 LEU 62 HD12 LEU 62 1.283 -9.788 -5.400 438 HD13 LEU 62 HD13 LEU 62 2.130 -10.108 -3.876 439 HD21 LEU 62 HD21 LEU 62 -0.434 -8.568 -4.362 440 HD22 LEU 62 HD22 LEU 62 -0.053 -7.268 -3.231 441 HD23 LEU 62 HD23 LEU 62 0.297 -8.942 -2.802 442 H PHE 63 H PHE 63 1.855 -4.769 -4.860 443 HA PHE 63 HA PHE 63 4.368 -3.761 -6.068 444 HB2 PHE 63 HB2 PHE 63 2.326 -5.431 -7.624 445 HB3 PHE 63 HB3 PHE 63 3.418 -4.357 -8.492 446 HD1 PHE 63 HD1 PHE 63 3.293 -7.394 -6.305 447 HD2 PHE 63 HD2 PHE 63 5.688 -5.036 -8.866 448 HE1 PHE 63 HE1 PHE 63 4.890 -9.201 -6.360 449 HE2 PHE 63 HE2 PHE 63 7.373 -6.721 -8.941 450 HZ PHE 63 HZ PHE 63 7.029 -8.926 -7.704 451 H VAL 64 H VAL 64 4.448 -1.687 -6.572 452 HA VAL 64 HA VAL 64 1.891 -0.206 -7.003 453 HB VAL 64 HB VAL 64 3.040 -0.076 -4.757 454 HG11 VAL 64 HG11 VAL 64 3.921 1.950 -3.766 455 HG12 VAL 64 HG12 VAL 64 4.705 2.062 -5.353 456 HG13 VAL 64 HG13 VAL 64 4.840 0.578 -4.394 457 HG21 VAL 64 HG21 VAL 64 1.220 2.076 -5.625 458 HG22 VAL 64 HG22 VAL 64 1.743 1.946 -3.928 459 HG23 VAL 64 HG23 VAL 64 0.949 0.577 -4.724 460 H ASN 65 H ASN 65 1.588 1.316 -8.520 461 HA ASN 65 HA ASN 65 1.785 2.422 -10.476 462 HB2 ASN 65 HB2 ASN 65 4.223 3.440 -9.402 463 HB3 ASN 65 HB3 ASN 65 4.922 2.405 -10.567 464 HD21 ASN 65 HD21 ASN 65 5.038 2.997 -12.734 465 HD22 ASN 65 HD22 ASN 65 4.573 4.550 -13.331 466 H GLU 66 H GLU 66 2.324 -0.689 -10.118 467 HA GLU 66 HA GLU 66 2.708 -2.690 -10.908 468 HB2 GLU 66 HB2 GLU 66 1.771 -1.799 -13.303 469 HB3 GLU 66 HB3 GLU 66 3.442 -1.734 -13.807 470 HG2 GLU 66 HG2 GLU 66 3.583 -4.225 -13.566 471 HG3 GLU 66 HG3 GLU 66 1.903 -4.259 -13.055 472 H VAL 67 H VAL 67 4.876 -0.894 -9.596 473 HA VAL 67 HA VAL 67 7.345 -2.104 -10.446 474 HB VAL 67 HB VAL 67 8.641 -0.495 -9.533 475 HG11 VAL 67 HG11 VAL 67 6.532 1.229 -10.559 476 HG12 VAL 67 HG12 VAL 67 7.787 0.159 -11.289 477 HG13 VAL 67 HG13 VAL 67 8.308 1.600 -10.363 478 HG21 VAL 67 HG21 VAL 67 8.254 1.471 -7.908 479 HG22 VAL 67 HG22 VAL 67 7.910 -0.142 -7.202 480 HG23 VAL 67 HG23 VAL 67 6.583 0.877 -7.717 481 H ASP 68 H ASP 68 8.957 -2.753 -9.045 482 HA ASP 68 HA ASP 68 7.871 -4.442 -7.162 483 HB2 ASP 68 HB2 ASP 68 10.152 -5.820 -7.054 484 HB3 ASP 68 HB3 ASP 68 9.251 -5.865 -8.550 485 H VAL 69 H VAL 69 7.408 -3.691 -5.257 486 HA VAL 69 HA VAL 69 9.396 -2.276 -3.652 487 HB VAL 69 HB VAL 69 7.741 -1.277 -2.129 488 HG11 VAL 69 HG11 VAL 69 8.406 0.061 -3.753 489 HG12 VAL 69 HG12 VAL 69 6.717 0.342 -3.353 490 HG13 VAL 69 HG13 VAL 69 7.142 -0.493 -4.886 491 HG21 VAL 69 HG21 VAL 69 5.891 -2.435 -1.804 492 HG22 VAL 69 HG22 VAL 69 5.546 -2.801 -3.519 493 HG23 VAL 69 HG23 VAL 69 5.175 -1.191 -2.848 494 H ARG 70 H ARG 70 8.642 -5.295 -3.768 495 HA ARG 70 HA ARG 70 8.319 -6.568 -1.265 496 HB2 ARG 70 HB2 ARG 70 9.839 -7.562 -3.707 497 HB3 ARG 70 HB3 ARG 70 9.718 -8.561 -2.278 498 HG2 ARG 70 HG2 ARG 70 7.233 -8.600 -2.526 499 HG3 ARG 70 HG3 ARG 70 7.366 -7.572 -3.945 500 HD2 ARG 70 HD2 ARG 70 7.045 -9.782 -4.777 501 HD3 ARG 70 HD3 ARG 70 8.751 -9.444 -5.006 502 HE ARG 70 HE ARG 70 8.438 -10.815 -2.536 503 HH11 ARG 70 HH11 ARG 70 8.210 -11.905 -6.007 504 HH12 ARG 70 HH12 ARG 70 8.588 -13.544 -5.593 505 HH21 ARG 70 HH21 ARG 70 8.915 -12.976 -2.152 506 HH22 ARG 70 HH22 ARG 70 8.980 -14.133 -3.439 507 H GLU 71 H GLU 71 11.406 -4.991 -2.235 508 HA GLU 71 HA GLU 71 12.568 -5.020 0.320 509 HB2 GLU 71 HB2 GLU 71 13.852 -6.528 -1.956 510 HB3 GLU 71 HB3 GLU 71 14.903 -5.556 -0.957 511 HG2 GLU 71 HG2 GLU 71 14.226 -6.976 1.029 512 HG3 GLU 71 HG3 GLU 71 13.157 -7.898 -0.020 513 H VAL 72 H VAL 72 11.879 -2.845 0.167 514 HA VAL 72 HA VAL 72 13.868 -0.957 -0.910 515 HB VAL 72 HB VAL 72 12.359 0.748 -1.723 516 HG11 VAL 72 HG11 VAL 72 11.517 -1.770 -3.247 517 HG12 VAL 72 HG12 VAL 72 12.921 -0.750 -3.579 518 HG13 VAL 72 HG13 VAL 72 11.289 -0.143 -3.892 519 HG21 VAL 72 HG21 VAL 72 9.932 0.823 -2.261 520 HG22 VAL 72 HG22 VAL 72 10.375 0.799 -0.528 521 HG23 VAL 72 HG23 VAL 72 9.786 -0.668 -1.311 522 H THR 73 H THR 73 13.602 1.209 -0.016 523 HA THR 73 HA THR 73 13.024 1.486 2.902 524 HB THR 73 HB THR 73 13.678 4.042 2.459 525 HG1 THR 73 HG1 THR 73 13.851 4.373 0.390 526 HG21 THR 73 HG21 THR 73 15.113 2.632 3.750 527 HG22 THR 73 HG22 THR 73 16.062 3.675 2.686 528 HG23 THR 73 HG23 THR 73 15.849 1.955 2.280 529 H HIS 74 H HIS 74 11.653 3.452 3.757 530 HA HIS 74 HA HIS 74 8.935 3.438 2.811 531 HB2 HIS 74 HB2 HIS 74 8.293 5.252 4.481 532 HB3 HIS 74 HB3 HIS 74 9.347 4.058 5.203 533 HD1 HIS 74 HD1 HIS 74 11.869 5.004 5.842 534 HD2 HIS 74 HD2 HIS 74 9.115 7.916 4.713 535 HE1 HIS 74 HE1 HIS 74 12.864 7.212 6.577 536 HE2 HIS 74 HE2 HIS 74 11.113 8.926 6.005 537 H SER 75 H SER 75 11.269 6.013 2.292 538 HA SER 75 HA SER 75 9.885 7.865 0.600 539 HB2 SER 75 HB2 SER 75 12.012 8.383 1.889 540 HB3 SER 75 HB3 SER 75 12.920 7.439 0.716 541 HG SER 75 HG SER 75 12.397 10.002 0.606 542 H ALA 76 H ALA 76 11.556 4.667 -0.400 543 HA ALA 76 HA ALA 76 11.667 5.164 -3.204 544 HB1 ALA 76 HB1 ALA 76 13.388 3.898 -1.957 545 HB2 ALA 76 HB2 ALA 76 12.607 2.842 -3.162 546 HB3 ALA 76 HB3 ALA 76 12.152 2.755 -1.459 547 H ALA 77 H ALA 77 9.224 3.839 -0.893 548 HA ALA 77 HA ALA 77 7.431 2.658 -2.889 549 HB1 ALA 77 HB1 ALA 77 5.978 2.109 -0.967 550 HB2 ALA 77 HB2 ALA 77 6.987 3.118 0.076 551 HB3 ALA 77 HB3 ALA 77 7.652 1.631 -0.615 552 H VAL 78 H VAL 78 7.644 5.734 -1.003 553 HA VAL 78 HA VAL 78 5.142 7.045 -1.833 554 HB VAL 78 HB VAL 78 7.687 8.364 -0.515 555 HG11 VAL 78 HG11 VAL 78 4.913 9.584 -0.502 556 HG12 VAL 78 HG12 VAL 78 6.264 10.156 -1.499 557 HG13 VAL 78 HG13 VAL 78 6.355 10.264 0.273 558 HG21 VAL 78 HG21 VAL 78 6.479 8.346 1.614 559 HG22 VAL 78 HG22 VAL 78 6.640 6.713 0.932 560 HG23 VAL 78 HG23 VAL 78 5.105 7.593 0.788 561 H GLU 79 H GLU 79 8.456 7.254 -3.213 562 HA GLU 79 HA GLU 79 8.198 9.127 -5.322 563 HB2 GLU 79 HB2 GLU 79 10.149 6.941 -4.795 564 HB3 GLU 79 HB3 GLU 79 10.336 7.851 -6.282 565 HG2 GLU 79 HG2 GLU 79 10.456 9.965 -4.850 566 HG3 GLU 79 HG3 GLU 79 10.457 8.864 -3.473 567 H ALA 80 H ALA 80 7.132 5.902 -5.283 568 HA ALA 80 HA ALA 80 6.430 5.591 -8.121 569 HB1 ALA 80 HB1 ALA 80 6.921 3.587 -6.729 570 HB2 ALA 80 HB2 ALA 80 5.294 3.469 -7.408 571 HB3 ALA 80 HB3 ALA 80 5.517 3.928 -5.733 572 H LEU 81 H LEU 81 4.735 6.941 -5.134 573 HA LEU 81 HA LEU 81 2.133 7.248 -6.425 574 HB2 LEU 81 HB2 LEU 81 2.981 7.768 -3.564 575 HB3 LEU 81 HB3 LEU 81 1.333 7.961 -4.114 576 HG LEU 81 HG LEU 81 2.553 5.277 -4.491 577 HD11 LEU 81 HD11 LEU 81 1.903 6.262 -1.778 578 HD12 LEU 81 HD12 LEU 81 3.467 5.814 -2.489 579 HD13 LEU 81 HD13 LEU 81 2.231 4.572 -2.235 580 HD21 LEU 81 HD21 LEU 81 0.211 5.674 -5.071 581 HD22 LEU 81 HD22 LEU 81 -0.164 6.048 -3.376 582 HD23 LEU 81 HD23 LEU 81 0.384 4.417 -3.848 583 H LYS 82 H LYS 82 4.812 9.399 -5.586 584 HA LYS 82 HA LYS 82 3.274 11.911 -5.787 585 HB2 LYS 82 HB2 LYS 82 5.891 11.169 -4.608 586 HB3 LYS 82 HB3 LYS 82 5.851 12.801 -5.178 587 HG2 LYS 82 HG2 LYS 82 3.735 13.069 -3.660 588 HG3 LYS 82 HG3 LYS 82 4.192 11.520 -2.960 589 HD2 LYS 82 HD2 LYS 82 6.365 12.450 -2.290 590 HD3 LYS 82 HD3 LYS 82 5.951 13.986 -3.052 591 HE2 LYS 82 HE2 LYS 82 4.098 14.277 -1.474 592 HE3 LYS 82 HE3 LYS 82 4.485 12.731 -0.720 593 HZ1 LYS 82 HZ1 LYS 82 6.644 13.634 -0.088 594 HZ2 LYS 82 HZ2 LYS 82 5.390 14.574 0.548 595 HZ3 LYS 82 HZ3 LYS 82 6.253 15.118 -0.800 596 H GLU 83 H GLU 83 5.895 10.192 -7.569 597 HA GLU 83 HA GLU 83 6.597 12.165 -9.473 598 HB2 GLU 83 HB2 GLU 83 7.831 10.665 -8.320 599 HB3 GLU 83 HB3 GLU 83 7.043 9.271 -8.935 600 HG2 GLU 83 HG2 GLU 83 8.943 9.158 -9.828 601 HG3 GLU 83 HG3 GLU 83 7.888 9.889 -11.094 602 H ALA 84 H ALA 84 3.965 9.469 -9.692 603 HA ALA 84 HA ALA 84 3.734 9.431 -12.560 604 HB1 ALA 84 HB1 ALA 84 1.666 8.606 -10.508 605 HB2 ALA 84 HB2 ALA 84 3.002 7.601 -11.050 606 HB3 ALA 84 HB3 ALA 84 1.730 8.068 -12.191 607 H GLY 85 H GLY 85 2.459 11.551 -10.191 608 HA2 GLY 85 HA2 GLY 85 2.011 13.987 -10.557 609 HA3 GLY 85 HA3 GLY 85 1.655 13.375 -12.166 610 H SER 86 H SER 86 -0.431 11.659 -11.801 611 HA SER 86 HA SER 86 -2.789 13.154 -10.920 612 HB2 SER 86 HB2 SER 86 -2.034 14.221 -13.040 613 HB3 SER 86 HB3 SER 86 -2.278 12.722 -13.903 614 HG SER 86 HG SER 86 -4.607 12.946 -13.168 615 H ILE 87 H ILE 87 -1.387 10.262 -12.536 616 HA ILE 87 HA ILE 87 -3.716 8.575 -11.808 617 HB ILE 87 HB ILE 87 -2.399 8.322 -14.616 618 HG12 ILE 87 HG12 ILE 87 -3.897 10.269 -14.624 619 HG13 ILE 87 HG13 ILE 87 -4.502 9.132 -15.826 620 HG21 ILE 87 HG21 ILE 87 -4.623 6.527 -13.725 621 HG22 ILE 87 HG22 ILE 87 -2.966 6.079 -14.158 622 HG23 ILE 87 HG23 ILE 87 -4.093 6.627 -15.424 623 HD11 ILE 87 HD11 ILE 87 -6.374 10.377 -14.663 624 HD12 ILE 87 HD12 ILE 87 -5.743 9.864 -13.095 625 HD13 ILE 87 HD13 ILE 87 -6.428 8.683 -14.164 626 H VAL 88 H VAL 88 -3.198 7.265 -10.371 627 HA VAL 88 HA VAL 88 -0.689 5.716 -10.410 628 HB VAL 88 HB VAL 88 -2.046 6.158 -8.245 629 HG11 VAL 88 HG11 VAL 88 0.610 7.470 -7.409 630 HG12 VAL 88 HG12 VAL 88 0.427 7.830 -9.123 631 HG13 VAL 88 HG13 VAL 88 1.022 6.244 -8.634 632 HG21 VAL 88 HG21 VAL 88 -1.299 7.288 -6.348 633 HG22 VAL 88 HG22 VAL 88 -2.299 5.894 -6.746 634 HG23 VAL 88 HG23 VAL 88 -2.741 7.496 -7.342 635 H ARG 89 H ARG 89 -0.622 3.624 -10.266 636 HA ARG 89 HA ARG 89 -3.050 2.042 -9.698 637 HB2 ARG 89 HB2 ARG 89 -2.448 0.270 -11.610 638 HB3 ARG 89 HB3 ARG 89 -2.934 1.831 -12.177 639 HG2 ARG 89 HG2 ARG 89 -0.588 2.318 -12.729 640 HG3 ARG 89 HG3 ARG 89 -0.130 0.719 -12.114 641 HD2 ARG 89 HD2 ARG 89 -1.745 -0.274 -13.592 642 HD3 ARG 89 HD3 ARG 89 -2.108 1.322 -14.239 643 HE ARG 89 HE ARG 89 0.673 0.941 -14.538 644 HH11 ARG 89 HH11 ARG 89 -2.135 -0.570 -16.311 645 HH12 ARG 89 HH12 ARG 89 -1.172 -0.901 -17.712 646 HH21 ARG 89 HH21 ARG 89 1.797 0.450 -16.424 647 HH22 ARG 89 HH22 ARG 89 1.025 -0.328 -17.766 648 H LEU 90 H LEU 90 -3.125 0.910 -7.923 649 HA LEU 90 HA LEU 90 -0.753 -0.378 -6.811 650 HB2 LEU 90 HB2 LEU 90 -1.965 -0.271 -4.514 651 HB3 LEU 90 HB3 LEU 90 -1.554 1.279 -5.179 652 HG LEU 90 HG LEU 90 -4.154 1.268 -5.842 653 HD11 LEU 90 HD11 LEU 90 -4.083 -0.586 -3.472 654 HD12 LEU 90 HD12 LEU 90 -4.646 -0.973 -5.099 655 HD13 LEU 90 HD13 LEU 90 -5.538 0.200 -4.118 656 HD21 LEU 90 HD21 LEU 90 -2.930 2.810 -4.483 657 HD22 LEU 90 HD22 LEU 90 -3.086 1.744 -3.081 658 HD23 LEU 90 HD23 LEU 90 -4.531 2.503 -3.793 659 H TYR 91 H TYR 91 -0.571 -2.442 -6.071 660 HA TYR 91 HA TYR 91 -2.682 -4.438 -6.644 661 HB2 TYR 91 HB2 TYR 91 -0.542 -4.455 -8.294 662 HB3 TYR 91 HB3 TYR 91 0.293 -5.058 -6.946 663 HD1 TYR 91 HD1 TYR 91 -3.017 -6.242 -8.422 664 HD2 TYR 91 HD2 TYR 91 0.951 -7.226 -7.281 665 HE1 TYR 91 HE1 TYR 91 -3.509 -8.451 -8.947 666 HE2 TYR 91 HE2 TYR 91 0.560 -9.536 -7.820 667 HH TYR 91 HH TYR 91 -2.185 -10.575 -9.636 668 H VAL 92 H VAL 92 -3.538 -5.166 -4.976 669 HA VAL 92 HA VAL 92 -2.088 -5.587 -2.411 670 HB VAL 92 HB VAL 92 -4.246 -5.255 -1.110 671 HG11 VAL 92 HG11 VAL 92 -2.983 -3.274 -1.461 672 HG12 VAL 92 HG12 VAL 92 -4.713 -2.915 -1.462 673 HG13 VAL 92 HG13 VAL 92 -3.830 -2.975 -2.985 674 HG21 VAL 92 HG21 VAL 92 -5.821 -6.157 -2.605 675 HG22 VAL 92 HG22 VAL 92 -5.586 -4.942 -3.823 676 HG23 VAL 92 HG23 VAL 92 -6.423 -4.505 -2.274 677 H MET 93 H MET 93 -2.948 -7.148 -0.790 678 HA MET 93 HA MET 93 -3.509 -9.971 -1.757 679 HB2 MET 93 HB2 MET 93 -1.725 -11.030 -0.241 680 HB3 MET 93 HB3 MET 93 -1.002 -9.966 -1.420 681 HG2 MET 93 HG2 MET 93 -0.400 -8.333 0.269 682 HG3 MET 93 HG3 MET 93 -1.406 -9.103 1.480 683 HE1 MET 93 HE1 MET 93 1.669 -10.335 -0.972 684 HE2 MET 93 HE2 MET 93 2.913 -10.496 0.266 685 HE3 MET 93 HE3 MET 93 2.237 -8.910 -0.102 686 H ARG 94 H ARG 94 -5.105 -11.104 -1.032 687 HA ARG 94 HA ARG 94 -6.167 -10.796 1.687 688 HB2 ARG 94 HB2 ARG 94 -7.831 -10.953 -0.908 689 HB3 ARG 94 HB3 ARG 94 -8.531 -11.430 0.620 690 HG2 ARG 94 HG2 ARG 94 -8.200 -9.101 1.451 691 HG3 ARG 94 HG3 ARG 94 -7.560 -8.659 -0.135 692 HD2 ARG 94 HD2 ARG 94 -9.687 -9.267 -1.175 693 HD3 ARG 94 HD3 ARG 94 -10.326 -9.765 0.390 694 HE ARG 94 HE ARG 94 -9.468 -7.071 0.551 695 HH11 ARG 94 HH11 ARG 94 -12.388 -8.693 -0.909 696 HH12 ARG 94 HH12 ARG 94 -13.341 -7.251 -0.808 697 HH21 ARG 94 HH21 ARG 94 -10.820 -5.273 0.622 698 HH22 ARG 94 HH22 ARG 94 -12.455 -5.342 0.052 699 H ARG 95 H ARG 95 -6.909 -12.601 2.734 700 HA ARG 95 HA ARG 95 -5.859 -15.227 1.970 701 HB2 ARG 95 HB2 ARG 95 -6.793 -14.161 4.653 702 HB3 ARG 95 HB3 ARG 95 -6.725 -15.897 4.429 703 HG2 ARG 95 HG2 ARG 95 -4.337 -15.700 3.871 704 HG3 ARG 95 HG3 ARG 95 -4.406 -13.964 4.203 705 HD2 ARG 95 HD2 ARG 95 -5.142 -14.477 6.514 706 HD3 ARG 95 HD3 ARG 95 -4.998 -16.198 6.137 707 HE ARG 95 HE ARG 95 -2.515 -14.992 5.591 708 HH11 ARG 95 HH11 ARG 95 -4.209 -15.750 8.728 709 HH12 ARG 95 HH12 ARG 95 -2.719 -15.811 9.611 710 HH21 ARG 95 HH21 ARG 95 -0.660 -15.104 6.862 711 HH22 ARG 95 HH22 ARG 95 -0.742 -15.448 8.558 712 H LYS 96 H LYS 96 -6.781 -17.177 1.796 713 HA LYS 96 HA LYS 96 -9.222 -17.490 0.424 714 HB2 LYS 96 HB2 LYS 96 -8.785 -20.068 0.499 715 HB3 LYS 96 HB3 LYS 96 -7.559 -19.094 -0.264 716 HG2 LYS 96 HG2 LYS 96 -6.064 -19.397 1.603 717 HG3 LYS 96 HG3 LYS 96 -7.307 -20.176 2.590 718 HD2 LYS 96 HD2 LYS 96 -7.323 -22.046 0.922 719 HD3 LYS 96 HD3 LYS 96 -6.000 -21.244 0.069 720 HE2 LYS 96 HE2 LYS 96 -4.580 -21.439 2.050 721 HE3 LYS 96 HE3 LYS 96 -5.904 -22.180 2.945 722 HZ1 LYS 96 HZ1 LYS 96 -5.851 -24.038 1.400 723 HZ2 LYS 96 HZ2 LYS 96 -4.342 -23.830 2.136 724 HZ3 LYS 96 HZ3 LYS 96 -4.583 -23.317 0.543 725 HA PRO 97 HA PRO 97 -12.696 -18.041 3.532 726 HB2 PRO 97 HB2 PRO 97 -14.459 -19.063 1.347 727 HB3 PRO 97 HB3 PRO 97 -14.651 -17.627 2.351 728 HG2 PRO 97 HG2 PRO 97 -14.011 -17.397 -0.230 729 HG3 PRO 97 HG3 PRO 97 -13.276 -16.327 0.979 730 HD2 PRO 97 HD2 PRO 97 -12.126 -18.804 -0.293 731 HD3 PRO 97 HD3 PRO 97 -11.378 -17.201 -0.109 732 HA PRO 98 HA PRO 98 -12.939 -22.590 4.952 733 HB2 PRO 98 HB2 PRO 98 -15.396 -22.011 6.561 734 HB3 PRO 98 HB3 PRO 98 -13.819 -22.575 7.108 735 HG2 PRO 98 HG2 PRO 98 -14.607 -20.079 7.630 736 HG3 PRO 98 HG3 PRO 98 -12.925 -20.411 7.175 737 HD2 PRO 98 HD2 PRO 98 -15.174 -19.375 5.456 738 HD3 PRO 98 HD3 PRO 98 -13.522 -18.740 5.626 739 H ALA 99 H ALA 99 -13.710 -24.592 4.306 740 HA ALA 99 HA ALA 99 -16.235 -24.842 2.803 741 HB1 ALA 99 HB1 ALA 99 -14.189 -25.182 1.365 742 HB2 ALA 99 HB2 ALA 99 -15.215 -26.616 1.392 743 HB3 ALA 99 HB3 ALA 99 -13.744 -26.571 2.363 744 H1 VAL 1 H1 VAL 1 7.233 -2.219 21.976 745 H2 VAL 1 H2 VAL 1 8.279 -3.505 22.312 746 H3 VAL 1 H3 VAL 1 6.818 -3.795 21.514 747 HA VAL 1 HA VAL 1 8.840 -1.971 20.339 748 HB VAL 1 HB VAL 1 9.684 -3.769 18.769 749 HG11 VAL 1 HG11 VAL 1 11.161 -3.177 20.513 750 HG12 VAL 1 HG12 VAL 1 11.310 -4.907 20.208 751 HG13 VAL 1 HG13 VAL 1 10.417 -4.336 21.617 752 HG21 VAL 1 HG21 VAL 1 9.541 -6.234 19.296 753 HG22 VAL 1 HG22 VAL 1 7.979 -5.516 18.901 754 HG23 VAL 1 HG23 VAL 1 8.371 -5.865 20.586 755 H VAL 2 H VAL 2 7.708 -0.492 19.935 756 HA VAL 2 HA VAL 2 6.990 -0.691 17.227 757 HB VAL 2 HB VAL 2 4.729 -0.807 18.511 758 HG11 VAL 2 HG11 VAL 2 4.869 2.093 19.125 759 HG12 VAL 2 HG12 VAL 2 4.715 0.723 20.223 760 HG13 VAL 2 HG13 VAL 2 3.383 1.135 19.140 761 HG21 VAL 2 HG21 VAL 2 4.722 -0.511 16.146 762 HG22 VAL 2 HG22 VAL 2 4.820 1.233 16.288 763 HG23 VAL 2 HG23 VAL 2 3.348 0.386 16.816 764 H SER 3 H SER 3 8.558 -0.012 16.519 765 HA SER 3 HA SER 3 9.934 2.605 17.052 766 HB2 SER 3 HB2 SER 3 10.865 0.150 15.476 767 HB3 SER 3 HB3 SER 3 11.827 1.616 15.619 768 HG SER 3 HG SER 3 11.818 1.267 17.911 769 H GLU 4 H GLU 4 7.539 3.115 15.979 770 HA GLU 4 HA GLU 4 7.337 3.424 13.075 771 HB2 GLU 4 HB2 GLU 4 5.596 2.473 14.818 772 HB3 GLU 4 HB3 GLU 4 5.115 4.172 15.034 773 HG2 GLU 4 HG2 GLU 4 4.595 3.903 12.395 774 HG3 GLU 4 HG3 GLU 4 5.023 2.228 12.938 775 H ARG 5 H ARG 5 7.393 5.251 11.924 776 HA ARG 5 HA ARG 5 6.945 7.891 13.073 777 HB2 ARG 5 HB2 ARG 5 8.329 9.003 11.163 778 HB3 ARG 5 HB3 ARG 5 9.274 8.065 12.282 779 HG2 ARG 5 HG2 ARG 5 9.418 6.234 10.498 780 HG3 ARG 5 HG3 ARG 5 8.569 7.309 9.397 781 HD2 ARG 5 HD2 ARG 5 11.214 8.013 10.717 782 HD3 ARG 5 HD3 ARG 5 11.113 7.218 9.156 783 HE ARG 5 HE ARG 5 9.610 9.579 8.927 784 HH11 ARG 5 HH11 ARG 5 13.188 9.108 9.439 785 HH12 ARG 5 HH12 ARG 5 13.572 10.632 8.712 786 HH21 ARG 5 HH21 ARG 5 10.257 11.531 8.011 787 HH22 ARG 5 HH22 ARG 5 11.928 11.978 7.919 788 H ILE 6 H ILE 6 6.068 5.784 10.373 789 HA ILE 6 HA ILE 6 4.560 5.565 8.889 790 HB ILE 6 HB ILE 6 3.191 4.688 10.780 791 HG12 ILE 6 HG12 ILE 6 0.962 4.397 10.071 792 HG13 ILE 6 HG13 ILE 6 0.777 5.972 9.242 793 HG21 ILE 6 HG21 ILE 6 3.014 6.474 12.290 794 HG22 ILE 6 HG22 ILE 6 1.393 5.842 11.964 795 HG23 ILE 6 HG23 ILE 6 1.912 7.352 11.212 796 HD11 ILE 6 HD11 ILE 6 2.234 4.718 7.470 797 HD12 ILE 6 HD12 ILE 6 0.636 4.099 7.664 798 HD13 ILE 6 HD13 ILE 6 2.017 3.339 8.516 799 H SER 7 H SER 7 3.871 8.870 9.743 800 HA SER 7 HA SER 7 2.120 9.756 7.780 801 HB2 SER 7 HB2 SER 7 4.284 11.479 9.069 802 HB3 SER 7 HB3 SER 7 3.007 12.162 8.070 803 HG SER 7 HG SER 7 1.661 10.771 9.700 804 H SER 8 H SER 8 2.149 8.857 5.913 805 HA SER 8 HA SER 8 3.858 9.746 3.675 806 HB2 SER 8 HB2 SER 8 3.127 6.743 4.199 807 HB3 SER 8 HB3 SER 8 3.922 7.355 2.777 808 HG SER 8 HG SER 8 5.417 6.510 4.332 809 H VAL 9 H VAL 9 2.463 8.050 1.575 810 HA VAL 9 HA VAL 9 -0.227 9.305 1.350 811 HB VAL 9 HB VAL 9 1.444 8.623 -1.280 812 HG11 VAL 9 HG11 VAL 9 -0.866 9.203 -1.708 813 HG12 VAL 9 HG12 VAL 9 0.201 10.413 -2.419 814 HG13 VAL 9 HG13 VAL 9 -0.660 10.769 -0.923 815 HG21 VAL 9 HG21 VAL 9 1.674 11.392 0.012 816 HG22 VAL 9 HG22 VAL 9 2.291 10.947 -1.579 817 HG23 VAL 9 HG23 VAL 9 2.973 10.203 -0.134 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 -9.978 -31.823 -6.706 2 H2 GLY 1 H2 GLY 1 -9.452 -30.223 -6.544 3 H3 GLY 1 H3 GLY 1 -10.939 -30.695 -5.890 4 HA2 GLY 1 HA2 GLY 1 -9.824 -32.166 -4.326 5 HA3 GLY 1 HA3 GLY 1 -8.280 -31.675 -5.002 6 H ALA 2 H ALA 2 -7.286 -29.802 -4.383 7 HA ALA 2 HA ALA 2 -8.468 -28.150 -2.206 8 HB1 ALA 2 HB1 ALA 2 -5.513 -28.690 -2.733 9 HB2 ALA 2 HB2 ALA 2 -6.463 -29.411 -1.412 10 HB3 ALA 2 HB3 ALA 2 -6.161 -27.661 -1.467 11 H MET 3 H MET 3 -8.419 -25.906 -2.157 12 HA MET 3 HA MET 3 -7.379 -24.469 -4.467 13 HB2 MET 3 HB2 MET 3 -9.062 -22.552 -4.065 14 HB3 MET 3 HB3 MET 3 -9.837 -24.071 -4.405 15 HG2 MET 3 HG2 MET 3 -10.312 -24.255 -1.938 16 HG3 MET 3 HG3 MET 3 -9.674 -22.633 -1.740 17 HE1 MET 3 HE1 MET 3 -12.001 -21.823 -0.636 18 HE2 MET 3 HE2 MET 3 -12.656 -23.448 -0.842 19 HE3 MET 3 HE3 MET 3 -13.571 -22.050 -1.407 20 H GLU 4 H GLU 4 -6.856 -22.051 -4.048 21 HA GLU 4 HA GLU 4 -4.674 -21.720 -2.036 22 HB2 GLU 4 HB2 GLU 4 -4.452 -21.083 -5.063 23 HB3 GLU 4 HB3 GLU 4 -3.309 -20.449 -3.912 24 HG2 GLU 4 HG2 GLU 4 -2.555 -22.767 -3.374 25 HG3 GLU 4 HG3 GLU 4 -3.719 -23.404 -4.527 26 H MET 5 H MET 5 -3.782 -19.136 -2.145 27 HA MET 5 HA MET 5 -5.972 -17.476 -1.292 28 HB2 MET 5 HB2 MET 5 -4.249 -15.746 -0.500 29 HB3 MET 5 HB3 MET 5 -3.981 -17.332 0.164 30 HG2 MET 5 HG2 MET 5 -2.134 -17.598 -1.528 31 HG3 MET 5 HG3 MET 5 -2.355 -15.919 -1.973 32 HE1 MET 5 HE1 MET 5 0.997 -15.791 0.115 33 HE2 MET 5 HE2 MET 5 0.236 -15.433 -1.436 34 HE3 MET 5 HE3 MET 5 0.470 -17.107 -0.932 35 H GLU 6 H GLU 6 -6.118 -15.021 -1.771 36 HA GLU 6 HA GLU 6 -6.489 -14.683 -4.666 37 HB2 GLU 6 HB2 GLU 6 -8.872 -13.632 -4.406 38 HB3 GLU 6 HB3 GLU 6 -8.771 -15.346 -4.117 39 HG2 GLU 6 HG2 GLU 6 -8.976 -14.911 -1.639 40 HG3 GLU 6 HG3 GLU 6 -9.057 -13.186 -1.960 41 H TYR 7 H TYR 7 -5.824 -13.061 -5.722 42 HA TYR 7 HA TYR 7 -4.869 -10.609 -4.342 43 HB2 TYR 7 HB2 TYR 7 -3.932 -11.711 -7.053 44 HB3 TYR 7 HB3 TYR 7 -3.295 -10.297 -6.292 45 HD1 TYR 7 HD1 TYR 7 -3.332 -14.049 -5.969 46 HD2 TYR 7 HD2 TYR 7 -1.549 -10.409 -4.735 47 HE1 TYR 7 HE1 TYR 7 -1.521 -15.337 -5.009 48 HE2 TYR 7 HE2 TYR 7 0.393 -11.683 -3.781 49 HH TYR 7 HH TYR 7 0.812 -13.978 -2.905 50 H GLU 8 H GLU 8 -5.211 -8.517 -5.032 51 HA GLU 8 HA GLU 8 -7.280 -7.996 -7.119 52 HB2 GLU 8 HB2 GLU 8 -8.308 -7.986 -4.662 53 HB3 GLU 8 HB3 GLU 8 -7.432 -6.506 -4.401 54 HG2 GLU 8 HG2 GLU 8 -9.726 -5.868 -4.766 55 HG3 GLU 8 HG3 GLU 8 -8.896 -5.449 -6.248 56 H GLU 9 H GLU 9 -6.817 -6.526 -8.633 57 HA GLU 9 HA GLU 9 -4.806 -4.474 -8.177 58 HB2 GLU 9 HB2 GLU 9 -4.436 -4.309 -10.731 59 HB3 GLU 9 HB3 GLU 9 -3.995 -5.840 -10.014 60 HG2 GLU 9 HG2 GLU 9 -6.021 -6.913 -11.042 61 HG3 GLU 9 HG3 GLU 9 -6.500 -5.367 -11.725 62 H ILE 10 H ILE 10 -5.347 -2.515 -7.668 63 HA ILE 10 HA ILE 10 -7.844 -1.279 -8.718 64 HB ILE 10 HB ILE 10 -6.501 -0.639 -5.961 65 HG12 ILE 10 HG12 ILE 10 -9.292 -1.841 -5.898 66 HG13 ILE 10 HG13 ILE 10 -7.995 -2.932 -6.340 67 HG21 ILE 10 HG21 ILE 10 -7.824 1.372 -6.728 68 HG22 ILE 10 HG22 ILE 10 -8.638 0.690 -5.324 69 HG23 ILE 10 HG23 ILE 10 -9.272 0.377 -6.950 70 HD11 ILE 10 HD11 ILE 10 -8.368 -1.462 -3.706 71 HD12 ILE 10 HD12 ILE 10 -6.859 -2.249 -4.185 72 HD13 ILE 10 HD13 ILE 10 -8.327 -3.232 -3.966 73 H THR 11 H THR 11 -7.860 0.772 -9.655 74 HA THR 11 HA THR 11 -5.369 2.399 -9.998 75 HB THR 11 HB THR 11 -7.515 2.413 -12.260 76 HG1 THR 11 HG1 THR 11 -5.270 0.661 -12.418 77 HG21 THR 11 HG21 THR 11 -4.477 2.754 -12.423 78 HG22 THR 11 HG22 THR 11 -5.617 4.087 -12.390 79 HG23 THR 11 HG23 THR 11 -5.606 2.978 -13.766 80 H LEU 12 H LEU 12 -5.353 4.329 -9.275 81 HA LEU 12 HA LEU 12 -7.759 5.869 -8.486 82 HB2 LEU 12 HB2 LEU 12 -5.103 5.473 -7.040 83 HB3 LEU 12 HB3 LEU 12 -5.839 7.027 -6.888 84 HG LEU 12 HG LEU 12 -6.171 5.826 -4.888 85 HD11 LEU 12 HD11 LEU 12 -8.023 7.170 -5.228 86 HD12 LEU 12 HD12 LEU 12 -8.560 5.683 -4.450 87 HD13 LEU 12 HD13 LEU 12 -8.849 5.928 -6.171 88 HD21 LEU 12 HD21 LEU 12 -5.844 3.528 -5.510 89 HD22 LEU 12 HD22 LEU 12 -7.388 3.494 -6.361 90 HD23 LEU 12 HD23 LEU 12 -7.354 3.671 -4.608 91 H GLU 13 H GLU 13 -7.938 8.063 -8.820 92 HA GLU 13 HA GLU 13 -5.924 9.602 -10.393 93 HB2 GLU 13 HB2 GLU 13 -8.919 10.308 -9.899 94 HB3 GLU 13 HB3 GLU 13 -7.815 11.315 -10.805 95 HG2 GLU 13 HG2 GLU 13 -7.755 9.657 -12.586 96 HG3 GLU 13 HG3 GLU 13 -8.707 8.558 -11.602 97 H ARG 14 H ARG 14 -4.771 11.137 -9.352 98 HA ARG 14 HA ARG 14 -4.346 11.411 -6.592 99 HB2 ARG 14 HB2 ARG 14 -2.725 11.925 -8.585 100 HB3 ARG 14 HB3 ARG 14 -3.455 13.505 -8.670 101 HG2 ARG 14 HG2 ARG 14 -2.531 13.992 -6.377 102 HG3 ARG 14 HG3 ARG 14 -1.752 12.409 -6.393 103 HD2 ARG 14 HD2 ARG 14 -0.458 13.049 -8.361 104 HD3 ARG 14 HD3 ARG 14 -1.277 14.609 -8.414 105 HE ARG 14 HE ARG 14 0.037 14.166 -5.894 106 HH11 ARG 14 HH11 ARG 14 0.978 15.458 -9.175 107 HH12 ARG 14 HH12 ARG 14 2.333 16.324 -8.531 108 HH21 ARG 14 HH21 ARG 14 1.831 15.341 -5.204 109 HH22 ARG 14 HH22 ARG 14 2.801 16.252 -6.312 110 H GLY 15 H GLY 15 -5.413 12.196 -4.987 111 HA2 GLY 15 HA2 GLY 15 -7.817 13.761 -4.936 112 HA3 GLY 15 HA3 GLY 15 -6.888 13.333 -3.528 113 H ASN 16 H ASN 16 -8.383 15.585 -3.410 114 HA ASN 16 HA ASN 16 -7.240 18.110 -4.229 115 HB2 ASN 16 HB2 ASN 16 -9.554 17.543 -2.288 116 HB3 ASN 16 HB3 ASN 16 -9.039 19.175 -2.653 117 HD21 ASN 16 HD21 ASN 16 -9.601 20.077 -4.687 118 HD22 ASN 16 HD22 ASN 16 -10.753 19.343 -5.744 119 H SER 17 H SER 17 -6.915 16.352 -1.143 120 HA SER 17 HA SER 17 -5.039 18.307 0.013 121 HB2 SER 17 HB2 SER 17 -5.369 17.063 2.243 122 HB3 SER 17 HB3 SER 17 -6.836 17.795 1.616 123 HG SER 17 HG SER 17 -7.104 15.494 0.676 124 H GLY 18 H GLY 18 -4.917 15.195 -1.665 125 HA2 GLY 18 HA2 GLY 18 -2.803 14.327 -2.494 126 HA3 GLY 18 HA3 GLY 18 -2.124 14.576 -0.889 127 H LEU 19 H LEU 19 -4.976 12.999 -2.419 128 HA LEU 19 HA LEU 19 -6.298 11.302 -2.150 129 HB2 LEU 19 HB2 LEU 19 -3.731 9.711 -1.674 130 HB3 LEU 19 HB3 LEU 19 -5.286 8.852 -1.632 131 HG LEU 19 HG LEU 19 -4.340 8.292 -3.536 132 HD11 LEU 19 HD11 LEU 19 -5.875 10.501 -4.631 133 HD12 LEU 19 HD12 LEU 19 -6.311 8.811 -4.345 134 HD13 LEU 19 HD13 LEU 19 -5.114 9.213 -5.583 135 HD21 LEU 19 HD21 LEU 19 -2.990 10.929 -3.963 136 HD22 LEU 19 HD22 LEU 19 -2.726 9.432 -4.925 137 HD23 LEU 19 HD23 LEU 19 -2.399 9.476 -3.174 138 H GLY 20 H GLY 20 -4.450 10.772 1.048 139 HA2 GLY 20 HA2 GLY 20 -6.060 11.680 2.835 140 HA3 GLY 20 HA3 GLY 20 -6.901 10.205 2.373 141 H PHE 21 H PHE 21 -5.179 8.286 2.069 142 HA PHE 21 HA PHE 21 -4.951 7.180 4.721 143 HB2 PHE 21 HB2 PHE 21 -4.494 5.055 3.520 144 HB3 PHE 21 HB3 PHE 21 -5.767 5.902 2.700 145 HD1 PHE 21 HD1 PHE 21 -4.873 7.179 0.317 146 HD2 PHE 21 HD2 PHE 21 -2.869 3.960 2.335 147 HE1 PHE 21 HE1 PHE 21 -3.726 6.621 -1.772 148 HE2 PHE 21 HE2 PHE 21 -1.692 3.384 0.239 149 HZ PHE 21 HZ PHE 21 -2.126 4.707 -1.830 150 H SER 22 H SER 22 -2.733 5.902 5.594 151 HA SER 22 HA SER 22 -0.291 7.070 4.495 152 HB2 SER 22 HB2 SER 22 -0.800 6.971 7.507 153 HB3 SER 22 HB3 SER 22 0.765 7.261 6.719 154 HG SER 22 HG SER 22 -1.136 9.041 7.319 155 H ILE 23 H ILE 23 1.581 5.876 4.276 156 HA ILE 23 HA ILE 23 1.448 3.104 5.103 157 HB ILE 23 HB ILE 23 2.575 2.203 2.965 158 HG12 ILE 23 HG12 ILE 23 1.538 3.128 0.771 159 HG13 ILE 23 HG13 ILE 23 1.074 4.559 1.653 160 HG21 ILE 23 HG21 ILE 23 -0.233 2.956 3.004 161 HG22 ILE 23 HG22 ILE 23 0.573 1.849 4.058 162 HG23 ILE 23 HG23 ILE 23 0.427 1.427 2.288 163 HD11 ILE 23 HD11 ILE 23 2.904 5.136 0.203 164 HD12 ILE 23 HD12 ILE 23 3.871 3.763 0.698 165 HD13 ILE 23 HD13 ILE 23 3.587 5.102 1.823 166 H ALA 24 H ALA 24 2.701 1.756 5.826 167 HA ALA 24 HA ALA 24 5.332 2.800 6.680 168 HB1 ALA 24 HB1 ALA 24 3.760 2.355 8.514 169 HB2 ALA 24 HB2 ALA 24 5.117 1.236 8.644 170 HB3 ALA 24 HB3 ALA 24 3.565 0.678 8.016 171 H GLY 25 H GLY 25 7.108 2.072 5.850 172 HA2 GLY 25 HA2 GLY 25 7.560 -0.697 4.935 173 HA3 GLY 25 HA3 GLY 25 7.726 0.577 3.744 174 H GLY 26 H GLY 26 9.829 -1.151 4.204 175 HA2 GLY 26 HA2 GLY 26 12.024 0.489 4.855 176 HA3 GLY 26 HA3 GLY 26 11.601 -0.327 6.325 177 H THR 27 H THR 27 13.573 -0.245 3.679 178 HA THR 27 HA THR 27 14.700 -2.851 4.395 179 HB THR 27 HB THR 27 16.643 -2.241 2.652 180 HG1 THR 27 HG1 THR 27 16.218 -0.209 2.108 181 HG21 THR 27 HG21 THR 27 13.909 -3.065 1.649 182 HG22 THR 27 HG22 THR 27 15.165 -4.114 2.306 183 HG23 THR 27 HG23 THR 27 15.427 -3.291 0.768 184 H ASP 28 H ASP 28 15.350 0.565 4.935 185 HA ASP 28 HA ASP 28 17.615 -0.097 6.657 186 HB2 ASP 28 HB2 ASP 28 17.184 2.558 5.170 187 HB3 ASP 28 HB3 ASP 28 18.289 2.474 6.526 188 H ASN 29 H ASN 29 14.452 1.596 6.625 189 HA ASN 29 HA ASN 29 14.615 2.458 9.420 190 HB2 ASN 29 HB2 ASN 29 12.919 3.666 7.163 191 HB3 ASN 29 HB3 ASN 29 12.534 4.001 8.837 192 HD21 ASN 29 HD21 ASN 29 13.906 5.419 10.016 193 HD22 ASN 29 HD22 ASN 29 15.102 6.402 9.251 194 HA PRO 30 HA PRO 30 11.452 -0.885 10.712 195 HB2 PRO 30 HB2 PRO 30 11.778 -0.064 13.499 196 HB3 PRO 30 HB3 PRO 30 12.240 -1.589 12.749 197 HG2 PRO 30 HG2 PRO 30 14.091 0.228 13.659 198 HG3 PRO 30 HG3 PRO 30 14.413 -0.912 12.347 199 HD2 PRO 30 HD2 PRO 30 13.815 2.038 12.168 200 HD3 PRO 30 HD3 PRO 30 14.883 1.017 11.206 201 H HIS 31 H HIS 31 9.295 -1.115 11.859 202 HA HIS 31 HA HIS 31 7.868 1.311 12.736 203 HB2 HIS 31 HB2 HIS 31 6.926 0.650 10.438 204 HB3 HIS 31 HB3 HIS 31 6.556 -0.948 11.042 205 HD1 HIS 31 HD1 HIS 31 5.284 2.671 11.309 206 HD2 HIS 31 HD2 HIS 31 3.985 -1.177 12.224 207 HE1 HIS 31 HE1 HIS 31 2.866 2.904 12.000 208 HE2 HIS 31 HE2 HIS 31 2.139 0.579 12.603 209 H ILE 32 H ILE 32 8.208 -2.302 13.277 210 HA ILE 32 HA ILE 32 6.657 -2.218 15.734 211 HB ILE 32 HB ILE 32 5.466 -3.388 13.793 212 HG12 ILE 32 HG12 ILE 32 5.104 -5.787 14.969 213 HG13 ILE 32 HG13 ILE 32 6.003 -4.888 16.209 214 HG21 ILE 32 HG21 ILE 32 7.526 -5.574 13.668 215 HG22 ILE 32 HG22 ILE 32 7.087 -4.400 12.424 216 HG23 ILE 32 HG23 ILE 32 5.924 -5.627 12.911 217 HD11 ILE 32 HD11 ILE 32 3.351 -3.964 15.033 218 HD12 ILE 32 HD12 ILE 32 4.258 -3.212 16.351 219 HD13 ILE 32 HD13 ILE 32 3.490 -4.788 16.605 220 H GLY 33 H GLY 33 9.620 -3.091 14.327 221 HA2 GLY 33 HA2 GLY 33 11.643 -3.184 15.885 222 HA3 GLY 33 HA3 GLY 33 10.875 -4.631 16.578 223 H ASP 34 H ASP 34 12.036 -3.136 13.524 224 HA ASP 34 HA ASP 34 12.884 -3.614 11.665 225 HB2 ASP 34 HB2 ASP 34 14.548 -5.674 13.181 226 HB3 ASP 34 HB3 ASP 34 14.819 -5.487 11.451 227 H ASP 35 H ASP 35 11.097 -3.801 10.676 228 HA ASP 35 HA ASP 35 10.074 -6.386 9.639 229 HB2 ASP 35 HB2 ASP 35 8.562 -4.590 10.830 230 HB3 ASP 35 HB3 ASP 35 8.686 -3.647 9.371 231 HA PRO 36 HA PRO 36 12.081 -5.499 5.379 232 HB2 PRO 36 HB2 PRO 36 11.197 -8.130 4.369 233 HB3 PRO 36 HB3 PRO 36 12.830 -7.562 4.703 234 HG2 PRO 36 HG2 PRO 36 11.627 -9.476 6.210 235 HG3 PRO 36 HG3 PRO 36 12.785 -8.324 6.899 236 HD2 PRO 36 HD2 PRO 36 9.771 -8.252 6.974 237 HD3 PRO 36 HD3 PRO 36 10.925 -8.007 8.307 238 H SER 37 H SER 37 8.591 -6.581 5.354 239 HA SER 37 HA SER 37 8.013 -5.709 2.584 240 HB2 SER 37 HB2 SER 37 7.275 -8.020 3.428 241 HB3 SER 37 HB3 SER 37 6.177 -7.222 4.540 242 HG SER 37 HG SER 37 4.782 -7.169 2.956 243 H ILE 38 H ILE 38 6.113 -4.281 1.964 244 HA ILE 38 HA ILE 38 5.617 -2.102 3.871 245 HB ILE 38 HB ILE 38 4.736 -1.758 0.932 246 HG12 ILE 38 HG12 ILE 38 6.992 -1.985 -0.073 247 HG13 ILE 38 HG13 ILE 38 7.057 -0.389 0.413 248 HG21 ILE 38 HG21 ILE 38 5.222 0.667 1.068 249 HG22 ILE 38 HG22 ILE 38 5.597 0.439 2.775 250 HG23 ILE 38 HG23 ILE 38 3.984 0.059 2.172 251 HD11 ILE 38 HD11 ILE 38 8.377 -2.556 2.056 252 HD12 ILE 38 HD12 ILE 38 8.560 -0.807 2.266 253 HD13 ILE 38 HD13 ILE 38 9.159 -1.600 0.803 254 H PHE 39 H PHE 39 3.850 -1.764 4.960 255 HA PHE 39 HA PHE 39 1.324 -3.289 4.634 256 HB2 PHE 39 HB2 PHE 39 2.670 -4.515 6.238 257 HB3 PHE 39 HB3 PHE 39 3.285 -3.075 6.988 258 HD1 PHE 39 HD1 PHE 39 -0.084 -4.949 6.787 259 HD2 PHE 39 HD2 PHE 39 2.772 -2.921 9.243 260 HE1 PHE 39 HE1 PHE 39 -1.411 -5.492 8.802 261 HE2 PHE 39 HE2 PHE 39 1.465 -3.488 11.254 262 HZ PHE 39 HZ PHE 39 -0.639 -4.766 11.027 263 H ILE 40 H ILE 40 -0.758 -2.263 5.300 264 HA ILE 40 HA ILE 40 -0.799 0.608 5.775 265 HB ILE 40 HB ILE 40 -3.403 -0.939 5.871 266 HG12 ILE 40 HG12 ILE 40 -2.491 -2.093 3.790 267 HG13 ILE 40 HG13 ILE 40 -3.893 -1.148 3.388 268 HG21 ILE 40 HG21 ILE 40 -3.748 1.386 6.168 269 HG22 ILE 40 HG22 ILE 40 -4.517 0.848 4.690 270 HG23 ILE 40 HG23 ILE 40 -3.012 1.773 4.592 271 HD11 ILE 40 HD11 ILE 40 -2.284 -0.912 1.566 272 HD12 ILE 40 HD12 ILE 40 -1.012 -0.562 2.822 273 HD13 ILE 40 HD13 ILE 40 -2.290 0.588 2.590 274 H THR 41 H THR 41 -1.712 1.625 7.443 275 HA THR 41 HA THR 41 -2.561 0.447 9.954 276 HB THR 41 HB THR 41 -0.915 1.881 11.473 277 HG1 THR 41 HG1 THR 41 0.706 1.717 9.168 278 HG21 THR 41 HG21 THR 41 -0.837 -0.602 11.508 279 HG22 THR 41 HG22 THR 41 0.781 0.107 11.652 280 HG23 THR 41 HG23 THR 41 0.263 -0.557 10.116 281 H LYS 42 H LYS 42 -2.363 3.453 7.932 282 HA LYS 42 HA LYS 42 -4.410 4.572 9.637 283 HB2 LYS 42 HB2 LYS 42 -2.394 5.922 10.103 284 HB3 LYS 42 HB3 LYS 42 -2.032 6.096 8.428 285 HG2 LYS 42 HG2 LYS 42 -2.662 8.293 9.521 286 HG3 LYS 42 HG3 LYS 42 -3.735 7.875 8.196 287 HD2 LYS 42 HD2 LYS 42 -5.468 7.464 9.523 288 HD3 LYS 42 HD3 LYS 42 -4.537 7.233 11.028 289 HE2 LYS 42 HE2 LYS 42 -3.962 9.656 10.882 290 HE3 LYS 42 HE3 LYS 42 -5.052 9.799 9.497 291 HZ1 LYS 42 HZ1 LYS 42 -6.150 10.527 11.537 292 HZ2 LYS 42 HZ2 LYS 42 -5.847 9.032 12.265 293 HZ3 LYS 42 HZ3 LYS 42 -6.895 9.128 10.941 294 H ILE 43 H ILE 43 -6.299 4.875 8.901 295 HA ILE 43 HA ILE 43 -6.753 5.577 6.164 296 HB ILE 43 HB ILE 43 -8.590 3.579 7.717 297 HG12 ILE 43 HG12 ILE 43 -6.715 2.235 6.755 298 HG13 ILE 43 HG13 ILE 43 -8.163 1.763 5.984 299 HG21 ILE 43 HG21 ILE 43 -10.147 3.246 5.719 300 HG22 ILE 43 HG22 ILE 43 -9.325 4.693 5.057 301 HG23 ILE 43 HG23 ILE 43 -10.209 4.824 6.574 302 HD11 ILE 43 HD11 ILE 43 -6.320 1.767 4.350 303 HD12 ILE 43 HD12 ILE 43 -5.895 3.410 4.758 304 HD13 ILE 43 HD13 ILE 43 -7.407 3.095 3.882 305 H ILE 44 H ILE 44 -7.846 7.449 5.956 306 HA ILE 44 HA ILE 44 -9.200 8.993 8.006 307 HB ILE 44 HB ILE 44 -8.446 9.647 5.019 308 HG12 ILE 44 HG12 ILE 44 -6.858 11.228 5.647 309 HG13 ILE 44 HG13 ILE 44 -7.282 11.269 7.388 310 HG21 ILE 44 HG21 ILE 44 -10.422 11.001 5.288 311 HG22 ILE 44 HG22 ILE 44 -9.000 12.045 5.192 312 HG23 ILE 44 HG23 ILE 44 -9.767 11.744 6.756 313 HD11 ILE 44 HD11 ILE 44 -5.701 9.527 5.601 314 HD12 ILE 44 HD12 ILE 44 -6.270 8.848 7.132 315 HD13 ILE 44 HD13 ILE 44 -5.135 10.252 7.129 316 HA PRO 45 HA PRO 45 -13.658 7.478 7.108 317 HB2 PRO 45 HB2 PRO 45 -14.667 9.918 8.537 318 HB3 PRO 45 HB3 PRO 45 -14.976 8.217 8.887 319 HG2 PRO 45 HG2 PRO 45 -13.386 9.630 10.484 320 HG3 PRO 45 HG3 PRO 45 -12.958 7.962 10.056 321 HD2 PRO 45 HD2 PRO 45 -11.900 10.534 8.884 322 HD3 PRO 45 HD3 PRO 45 -10.985 9.128 9.460 323 H GLY 46 H GLY 46 -12.659 10.708 5.982 324 HA2 GLY 46 HA2 GLY 46 -14.727 10.790 3.852 325 HA3 GLY 46 HA3 GLY 46 -14.273 12.236 4.720 326 H GLY 47 H GLY 47 -11.827 9.741 3.547 327 HA2 GLY 47 HA2 GLY 47 -10.554 11.599 1.668 328 HA3 GLY 47 HA3 GLY 47 -9.956 10.034 2.164 329 H ALA 48 H ALA 48 -9.425 10.332 -0.310 330 HA ALA 48 HA ALA 48 -11.441 9.785 -2.312 331 HB1 ALA 48 HB1 ALA 48 -9.586 11.441 -2.731 332 HB2 ALA 48 HB2 ALA 48 -9.674 10.213 -3.988 333 HB3 ALA 48 HB3 ALA 48 -8.433 10.114 -2.743 334 H ALA 49 H ALA 49 -8.747 7.775 -0.891 335 HA ALA 49 HA ALA 49 -9.190 5.431 -2.553 336 HB1 ALA 49 HB1 ALA 49 -7.386 5.633 -0.131 337 HB2 ALA 49 HB2 ALA 49 -6.937 6.064 -1.786 338 HB3 ALA 49 HB3 ALA 49 -7.356 4.393 -1.397 339 H ALA 50 H ALA 50 -10.526 6.437 0.552 340 HA ALA 50 HA ALA 50 -11.504 3.857 1.500 341 HB1 ALA 50 HB1 ALA 50 -10.643 5.559 3.133 342 HB2 ALA 50 HB2 ALA 50 -12.299 5.092 3.507 343 HB3 ALA 50 HB3 ALA 50 -11.979 6.625 2.710 344 H GLN 51 H GLN 51 -13.098 6.916 0.158 345 HA GLN 51 HA GLN 51 -15.752 5.751 -0.007 346 HB2 GLN 51 HB2 GLN 51 -14.847 8.590 -0.684 347 HB3 GLN 51 HB3 GLN 51 -16.516 8.067 -0.788 348 HG2 GLN 51 HG2 GLN 51 -16.237 7.535 1.773 349 HG3 GLN 51 HG3 GLN 51 -14.810 8.501 1.663 350 HE21 GLN 51 HE21 GLN 51 -18.327 8.686 1.645 351 HE22 GLN 51 HE22 GLN 51 -18.444 10.405 1.775 352 H ASP 52 H ASP 52 -13.439 7.183 -2.618 353 HA ASP 52 HA ASP 52 -15.187 6.336 -4.765 354 HB2 ASP 52 HB2 ASP 52 -12.902 8.288 -4.578 355 HB3 ASP 52 HB3 ASP 52 -13.368 7.683 -6.146 356 H GLY 53 H GLY 53 -11.972 5.206 -3.539 357 HA2 GLY 53 HA2 GLY 53 -11.179 3.742 -5.977 358 HA3 GLY 53 HA3 GLY 53 -10.239 3.905 -4.519 359 H ARG 54 H ARG 54 -11.757 2.713 -2.540 360 HA ARG 54 HA ARG 54 -12.486 1.068 -1.456 361 HB2 ARG 54 HB2 ARG 54 -13.254 -0.309 -4.004 362 HB3 ARG 54 HB3 ARG 54 -13.392 -1.239 -2.514 363 HG2 ARG 54 HG2 ARG 54 -15.018 0.525 -1.666 364 HG3 ARG 54 HG3 ARG 54 -14.886 1.348 -3.212 365 HD2 ARG 54 HD2 ARG 54 -16.929 0.155 -3.328 366 HD3 ARG 54 HD3 ARG 54 -15.799 -0.810 -4.264 367 HE ARG 54 HE ARG 54 -15.757 -1.928 -1.713 368 HH11 ARG 54 HH11 ARG 54 -18.533 -1.679 -4.056 369 HH12 ARG 54 HH12 ARG 54 -19.318 -3.076 -3.397 370 HH21 ARG 54 HH21 ARG 54 -16.884 -3.722 -0.957 371 HH22 ARG 54 HH22 ARG 54 -18.388 -4.210 -1.665 372 H LEU 55 H LEU 55 -10.239 1.474 -0.940 373 HA LEU 55 HA LEU 55 -8.890 -1.050 -0.349 374 HB2 LEU 55 HB2 LEU 55 -7.400 0.435 -1.493 375 HB3 LEU 55 HB3 LEU 55 -7.896 1.851 -0.602 376 HG LEU 55 HG LEU 55 -6.489 0.115 1.232 377 HD11 LEU 55 HD11 LEU 55 -5.550 -1.061 -0.674 378 HD12 LEU 55 HD12 LEU 55 -4.324 -0.127 0.181 379 HD13 LEU 55 HD13 LEU 55 -4.978 0.466 -1.346 380 HD21 LEU 55 HD21 LEU 55 -6.713 2.509 1.214 381 HD22 LEU 55 HD22 LEU 55 -5.681 2.620 -0.199 382 HD23 LEU 55 HD23 LEU 55 -5.006 2.048 1.352 383 H ARG 56 H ARG 56 -8.858 -1.875 1.604 384 HA ARG 56 HA ARG 56 -9.536 -0.397 4.069 385 HB2 ARG 56 HB2 ARG 56 -9.987 -3.408 3.458 386 HB3 ARG 56 HB3 ARG 56 -10.004 -2.825 5.094 387 HG2 ARG 56 HG2 ARG 56 -11.960 -1.467 4.558 388 HG3 ARG 56 HG3 ARG 56 -11.921 -2.114 2.904 389 HD2 ARG 56 HD2 ARG 56 -11.982 -4.330 3.747 390 HD3 ARG 56 HD3 ARG 56 -11.942 -3.689 5.388 391 HE ARG 56 HE ARG 56 -14.218 -2.548 4.269 392 HH11 ARG 56 HH11 ARG 56 -13.591 -6.107 4.784 393 HH12 ARG 56 HH12 ARG 56 -15.282 -6.469 4.879 394 HH21 ARG 56 HH21 ARG 56 -16.380 -3.172 4.416 395 HH22 ARG 56 HH22 ARG 56 -16.830 -4.824 4.675 396 H VAL 57 H VAL 57 -8.303 -0.818 6.066 397 HA VAL 57 HA VAL 57 -5.464 -0.732 5.965 398 HB VAL 57 HB VAL 57 -7.321 0.103 7.546 399 HG11 VAL 57 HG11 VAL 57 -8.420 -1.010 8.661 400 HG12 VAL 57 HG12 VAL 57 -7.125 -0.792 9.913 401 HG13 VAL 57 HG13 VAL 57 -7.221 -2.314 8.926 402 HG21 VAL 57 HG21 VAL 57 -5.573 1.160 7.750 403 HG22 VAL 57 HG22 VAL 57 -4.554 -0.189 8.327 404 HG23 VAL 57 HG23 VAL 57 -5.717 0.620 9.441 405 H ASN 58 H ASN 58 -7.391 -3.527 6.295 406 HA ASN 58 HA ASN 58 -5.270 -5.331 6.937 407 HB2 ASN 58 HB2 ASN 58 -7.067 -6.991 7.649 408 HB3 ASN 58 HB3 ASN 58 -7.325 -5.351 8.257 409 HD21 ASN 58 HD21 ASN 58 -8.599 -7.773 5.997 410 HD22 ASN 58 HD22 ASN 58 -10.185 -7.100 5.864 411 H ASP 59 H ASP 59 -5.822 -3.940 3.953 412 HA ASP 59 HA ASP 59 -6.012 -6.352 2.297 413 HB2 ASP 59 HB2 ASP 59 -6.358 -3.448 1.636 414 HB3 ASP 59 HB3 ASP 59 -5.781 -4.473 0.339 415 H SER 60 H SER 60 -3.319 -4.150 3.202 416 HA SER 60 HA SER 60 -1.095 -3.957 2.744 417 HB2 SER 60 HB2 SER 60 -1.243 -6.977 3.111 418 HB3 SER 60 HB3 SER 60 0.283 -6.096 3.149 419 HG SER 60 HG SER 60 -1.063 -6.575 5.214 420 H ILE 61 H ILE 61 0.253 -3.321 1.187 421 HA ILE 61 HA ILE 61 -0.157 -4.279 -1.563 422 HB ILE 61 HB ILE 61 1.675 -1.810 -0.833 423 HG12 ILE 61 HG12 ILE 61 -1.210 -1.402 -1.901 424 HG13 ILE 61 HG13 ILE 61 -0.954 -1.613 -0.186 425 HG21 ILE 61 HG21 ILE 61 2.101 -2.648 -3.163 426 HG22 ILE 61 HG22 ILE 61 1.384 -1.044 -3.237 427 HG23 ILE 61 HG23 ILE 61 0.393 -2.462 -3.559 428 HD11 ILE 61 HD11 ILE 61 0.082 0.698 -1.881 429 HD12 ILE 61 HD12 ILE 61 0.358 0.534 -0.145 430 HD13 ILE 61 HD13 ILE 61 -1.282 0.773 -0.760 431 H LEU 62 H LEU 62 1.093 -5.676 -2.818 432 HA LEU 62 HA LEU 62 3.885 -6.268 -2.044 433 HB2 LEU 62 HB2 LEU 62 3.777 -8.284 -3.523 434 HB3 LEU 62 HB3 LEU 62 2.530 -8.351 -2.290 435 HG LEU 62 HG LEU 62 1.824 -7.610 -5.148 436 HD11 LEU 62 HD11 LEU 62 3.105 -9.618 -5.259 437 HD12 LEU 62 HD12 LEU 62 1.375 -9.959 -5.512 438 HD13 LEU 62 HD13 LEU 62 2.136 -10.324 -3.955 439 HD21 LEU 62 HD21 LEU 62 -0.312 -8.647 -4.574 440 HD22 LEU 62 HD22 LEU 62 0.073 -7.372 -3.419 441 HD23 LEU 62 HD23 LEU 62 0.303 -9.063 -2.974 442 H PHE 63 H PHE 63 2.039 -5.027 -4.844 443 HA PHE 63 HA PHE 63 4.578 -3.975 -6.005 444 HB2 PHE 63 HB2 PHE 63 2.490 -5.573 -7.579 445 HB3 PHE 63 HB3 PHE 63 3.581 -4.484 -8.416 446 HD1 PHE 63 HD1 PHE 63 3.473 -7.547 -6.289 447 HD2 PHE 63 HD2 PHE 63 5.781 -5.217 -8.963 448 HE1 PHE 63 HE1 PHE 63 5.000 -9.395 -6.463 449 HE2 PHE 63 HE2 PHE 63 7.422 -6.929 -9.145 450 HZ PHE 63 HZ PHE 63 7.094 -9.148 -7.911 451 H VAL 64 H VAL 64 4.579 -1.809 -6.851 452 HA VAL 64 HA VAL 64 2.040 -0.646 -7.471 453 HB VAL 64 HB VAL 64 2.866 1.635 -6.937 454 HG11 VAL 64 HG11 VAL 64 1.821 -0.032 -4.690 455 HG12 VAL 64 HG12 VAL 64 0.952 0.933 -5.898 456 HG13 VAL 64 HG13 VAL 64 1.862 1.742 -4.616 457 HG21 VAL 64 HG21 VAL 64 5.039 1.602 -6.075 458 HG22 VAL 64 HG22 VAL 64 4.662 0.393 -4.834 459 HG23 VAL 64 HG23 VAL 64 4.062 2.059 -4.685 460 H ASN 65 H ASN 65 1.713 0.729 -9.138 461 HA ASN 65 HA ASN 65 1.917 1.675 -11.015 462 HB2 ASN 65 HB2 ASN 65 4.942 1.958 -10.425 463 HB3 ASN 65 HB3 ASN 65 4.479 2.472 -12.009 464 HD21 ASN 65 HD21 ASN 65 4.946 4.634 -11.749 465 HD22 ASN 65 HD22 ASN 65 4.180 5.707 -10.633 466 H GLU 66 H GLU 66 2.727 -1.433 -10.767 467 HA GLU 66 HA GLU 66 3.259 -3.356 -11.649 468 HB2 GLU 66 HB2 GLU 66 3.731 -2.040 -14.432 469 HB3 GLU 66 HB3 GLU 66 4.072 -3.740 -14.185 470 HG2 GLU 66 HG2 GLU 66 1.658 -4.101 -13.623 471 HG3 GLU 66 HG3 GLU 66 1.353 -2.401 -13.946 472 H VAL 67 H VAL 67 5.276 -1.306 -10.404 473 HA VAL 67 HA VAL 67 7.743 -2.693 -10.821 474 HB VAL 67 HB VAL 67 8.985 -0.917 -9.748 475 HG11 VAL 67 HG11 VAL 67 7.491 0.203 -12.007 476 HG12 VAL 67 HG12 VAL 67 8.876 -0.928 -11.941 477 HG13 VAL 67 HG13 VAL 67 9.096 0.767 -11.412 478 HG21 VAL 67 HG21 VAL 67 6.564 0.985 -9.536 479 HG22 VAL 67 HG22 VAL 67 8.282 1.389 -9.151 480 HG23 VAL 67 HG23 VAL 67 7.451 0.112 -8.246 481 H ASP 68 H ASP 68 9.254 -3.025 -9.141 482 HA ASP 68 HA ASP 68 7.959 -4.583 -7.297 483 HB2 ASP 68 HB2 ASP 68 10.184 -5.979 -6.883 484 HB3 ASP 68 HB3 ASP 68 9.419 -6.100 -8.448 485 H VAL 69 H VAL 69 7.384 -3.995 -5.500 486 HA VAL 69 HA VAL 69 8.983 -2.394 -3.644 487 HB VAL 69 HB VAL 69 6.349 -2.137 -4.717 488 HG11 VAL 69 HG11 VAL 69 6.180 -1.581 -1.728 489 HG12 VAL 69 HG12 VAL 69 5.111 -2.593 -2.705 490 HG13 VAL 69 HG13 VAL 69 5.067 -0.837 -2.894 491 HG21 VAL 69 HG21 VAL 69 7.874 -0.472 -5.104 492 HG22 VAL 69 HG22 VAL 69 8.026 -0.175 -3.319 493 HG23 VAL 69 HG23 VAL 69 6.555 0.282 -4.173 494 H ARG 70 H ARG 70 8.507 -5.375 -3.966 495 HA ARG 70 HA ARG 70 7.838 -6.638 -1.413 496 HB2 ARG 70 HB2 ARG 70 9.331 -7.716 -3.830 497 HB3 ARG 70 HB3 ARG 70 9.351 -8.645 -2.352 498 HG2 ARG 70 HG2 ARG 70 6.852 -8.765 -2.465 499 HG3 ARG 70 HG3 ARG 70 6.924 -7.917 -4.014 500 HD2 ARG 70 HD2 ARG 70 8.263 -9.721 -4.963 501 HD3 ARG 70 HD3 ARG 70 8.282 -10.553 -3.409 502 HE ARG 70 HE ARG 70 5.595 -10.149 -4.220 503 HH11 ARG 70 HH11 ARG 70 8.209 -12.485 -5.234 504 HH12 ARG 70 HH12 ARG 70 7.058 -13.637 -5.824 505 HH21 ARG 70 HH21 ARG 70 4.219 -11.739 -5.028 506 HH22 ARG 70 HH22 ARG 70 4.833 -13.210 -5.705 507 H GLU 71 H GLU 71 10.803 -4.961 -2.368 508 HA GLU 71 HA GLU 71 12.074 -5.007 0.128 509 HB2 GLU 71 HB2 GLU 71 13.378 -6.604 -2.108 510 HB3 GLU 71 HB3 GLU 71 14.373 -5.544 -1.146 511 HG2 GLU 71 HG2 GLU 71 13.761 -6.871 0.902 512 HG3 GLU 71 HG3 GLU 71 12.692 -7.870 -0.072 513 H VAL 72 H VAL 72 11.500 -2.861 0.045 514 HA VAL 72 HA VAL 72 13.508 -1.028 -1.063 515 HB VAL 72 HB VAL 72 12.020 0.743 -1.776 516 HG11 VAL 72 HG11 VAL 72 10.939 -0.051 -3.990 517 HG12 VAL 72 HG12 VAL 72 11.131 -1.694 -3.403 518 HG13 VAL 72 HG13 VAL 72 12.563 -0.696 -3.698 519 HG21 VAL 72 HG21 VAL 72 9.606 0.867 -2.334 520 HG22 VAL 72 HG22 VAL 72 10.062 0.829 -0.610 521 HG23 VAL 72 HG23 VAL 72 9.422 -0.617 -1.385 522 H THR 73 H THR 73 13.265 1.165 -0.127 523 HA THR 73 HA THR 73 12.770 1.374 2.818 524 HB THR 73 HB THR 73 13.408 3.945 2.403 525 HG1 THR 73 HG1 THR 73 14.092 2.911 -0.071 526 HG21 THR 73 HG21 THR 73 14.859 2.524 3.661 527 HG22 THR 73 HG22 THR 73 15.795 3.580 2.596 528 HG23 THR 73 HG23 THR 73 15.579 1.864 2.174 529 H HIS 74 H HIS 74 11.389 3.278 3.758 530 HA HIS 74 HA HIS 74 8.665 3.263 2.832 531 HB2 HIS 74 HB2 HIS 74 8.002 5.021 4.553 532 HB3 HIS 74 HB3 HIS 74 9.078 3.826 5.236 533 HD1 HIS 74 HD1 HIS 74 11.469 4.770 6.102 534 HD2 HIS 74 HD2 HIS 74 8.898 7.721 4.676 535 HE1 HIS 74 HE1 HIS 74 12.434 6.974 6.901 536 HE2 HIS 74 HE2 HIS 74 10.921 8.731 5.928 537 H SER 75 H SER 75 10.949 5.881 2.365 538 HA SER 75 HA SER 75 9.547 7.758 0.733 539 HB2 SER 75 HB2 SER 75 12.561 7.331 1.001 540 HB3 SER 75 HB3 SER 75 11.859 8.677 0.110 541 HG SER 75 HG SER 75 10.707 8.636 2.492 542 H ALA 76 H ALA 76 11.197 4.618 -0.377 543 HA ALA 76 HA ALA 76 11.337 5.237 -3.152 544 HB1 ALA 76 HB1 ALA 76 13.022 3.898 -1.939 545 HB2 ALA 76 HB2 ALA 76 12.259 2.907 -3.210 546 HB3 ALA 76 HB3 ALA 76 11.770 2.742 -1.520 547 H ALA 77 H ALA 77 8.836 3.783 -0.951 548 HA ALA 77 HA ALA 77 7.088 2.819 -3.114 549 HB1 ALA 77 HB1 ALA 77 6.589 2.815 -0.127 550 HB2 ALA 77 HB2 ALA 77 7.277 1.455 -1.055 551 HB3 ALA 77 HB3 ALA 77 5.621 1.970 -1.349 552 H VAL 78 H VAL 78 7.265 5.678 -0.911 553 HA VAL 78 HA VAL 78 4.723 7.001 -1.636 554 HB VAL 78 HB VAL 78 7.219 8.316 -0.232 555 HG11 VAL 78 HG11 VAL 78 5.779 10.057 0.737 556 HG12 VAL 78 HG12 VAL 78 4.368 9.342 -0.034 557 HG13 VAL 78 HG13 VAL 78 5.633 10.095 -1.038 558 HG21 VAL 78 HG21 VAL 78 4.716 7.313 1.041 559 HG22 VAL 78 HG22 VAL 78 6.073 8.066 1.904 560 HG23 VAL 78 HG23 VAL 78 6.281 6.490 1.098 561 H GLU 79 H GLU 79 8.061 7.369 -2.981 562 HA GLU 79 HA GLU 79 7.707 9.528 -4.855 563 HB2 GLU 79 HB2 GLU 79 9.820 7.429 -4.606 564 HB3 GLU 79 HB3 GLU 79 9.933 8.573 -5.924 565 HG2 GLU 79 HG2 GLU 79 9.663 9.495 -3.131 566 HG3 GLU 79 HG3 GLU 79 11.284 9.009 -3.629 567 H ALA 80 H ALA 80 6.943 6.155 -5.245 568 HA ALA 80 HA ALA 80 6.349 6.118 -8.093 569 HB1 ALA 80 HB1 ALA 80 5.318 3.906 -7.628 570 HB2 ALA 80 HB2 ALA 80 5.465 4.198 -5.894 571 HB3 ALA 80 HB3 ALA 80 6.908 4.018 -6.884 572 H LEU 81 H LEU 81 4.532 7.126 -5.062 573 HA LEU 81 HA LEU 81 2.030 7.450 -6.453 574 HB2 LEU 81 HB2 LEU 81 2.467 7.662 -3.471 575 HB3 LEU 81 HB3 LEU 81 0.907 7.629 -4.249 576 HG LEU 81 HG LEU 81 2.822 5.335 -3.691 577 HD11 LEU 81 HD11 LEU 81 0.984 4.193 -2.748 578 HD12 LEU 81 HD12 LEU 81 -0.019 5.633 -3.055 579 HD13 LEU 81 HD13 LEU 81 1.406 5.736 -1.998 580 HD21 LEU 81 HD21 LEU 81 1.378 3.669 -4.958 581 HD22 LEU 81 HD22 LEU 81 2.328 4.847 -5.880 582 HD23 LEU 81 HD23 LEU 81 0.578 5.084 -5.746 583 H LYS 82 H LYS 82 4.396 9.573 -5.116 584 HA LYS 82 HA LYS 82 2.918 12.068 -5.545 585 HB2 LYS 82 HB2 LYS 82 5.619 11.464 -4.358 586 HB3 LYS 82 HB3 LYS 82 5.306 13.110 -4.833 587 HG2 LYS 82 HG2 LYS 82 3.323 13.114 -3.243 588 HG3 LYS 82 HG3 LYS 82 3.810 11.509 -2.704 589 HD2 LYS 82 HD2 LYS 82 5.958 12.396 -1.912 590 HD3 LYS 82 HD3 LYS 82 5.565 13.990 -2.540 591 HE2 LYS 82 HE2 LYS 82 3.935 12.628 -0.364 592 HE3 LYS 82 HE3 LYS 82 5.334 13.625 -0.003 593 HZ1 LYS 82 HZ1 LYS 82 4.179 15.528 -1.026 594 HZ2 LYS 82 HZ2 LYS 82 3.262 14.880 0.235 595 HZ3 LYS 82 HZ3 LYS 82 2.836 14.553 -1.368 596 H GLU 83 H GLU 83 5.553 10.336 -7.261 597 HA GLU 83 HA GLU 83 5.981 12.509 -9.224 598 HB2 GLU 83 HB2 GLU 83 7.401 9.986 -8.857 599 HB3 GLU 83 HB3 GLU 83 7.725 10.892 -10.336 600 HG2 GLU 83 HG2 GLU 83 8.019 12.831 -8.935 601 HG3 GLU 83 HG3 GLU 83 8.036 11.779 -7.528 602 H ALA 84 H ALA 84 4.060 9.654 -9.553 603 HA ALA 84 HA ALA 84 4.031 9.265 -12.416 604 HB1 ALA 84 HB1 ALA 84 3.085 7.604 -10.777 605 HB2 ALA 84 HB2 ALA 84 2.056 7.857 -12.188 606 HB3 ALA 84 HB3 ALA 84 1.637 8.604 -10.658 607 H GLY 85 H GLY 85 2.334 11.724 -10.651 608 HA2 GLY 85 HA2 GLY 85 2.220 13.998 -11.751 609 HA3 GLY 85 HA3 GLY 85 1.684 13.037 -13.123 610 H SER 86 H SER 86 -0.393 11.556 -11.993 611 HA SER 86 HA SER 86 -2.638 13.098 -11.063 612 HB2 SER 86 HB2 SER 86 -2.122 12.842 -13.908 613 HB3 SER 86 HB3 SER 86 -3.877 12.834 -13.520 614 HG SER 86 HG SER 86 -3.420 14.976 -12.591 615 H ILE 87 H ILE 87 -1.440 10.186 -12.786 616 HA ILE 87 HA ILE 87 -3.712 8.530 -11.862 617 HB ILE 87 HB ILE 87 -2.389 8.027 -14.638 618 HG12 ILE 87 HG12 ILE 87 -3.692 10.086 -14.854 619 HG13 ILE 87 HG13 ILE 87 -4.425 8.902 -15.935 620 HG21 ILE 87 HG21 ILE 87 -4.789 6.530 -13.639 621 HG22 ILE 87 HG22 ILE 87 -3.171 5.893 -13.967 622 HG23 ILE 87 HG23 ILE 87 -4.201 6.422 -15.316 623 HD11 ILE 87 HD11 ILE 87 -6.131 10.456 -14.883 624 HD12 ILE 87 HD12 ILE 87 -5.550 9.972 -13.269 625 HD13 ILE 87 HD13 ILE 87 -6.363 8.812 -14.268 626 H VAL 88 H VAL 88 -3.195 7.342 -10.396 627 HA VAL 88 HA VAL 88 -0.642 5.917 -10.235 628 HB VAL 88 HB VAL 88 -1.627 7.856 -8.725 629 HG11 VAL 88 HG11 VAL 88 -1.306 7.652 -6.248 630 HG12 VAL 88 HG12 VAL 88 -1.930 6.034 -6.546 631 HG13 VAL 88 HG13 VAL 88 -2.840 7.444 -7.099 632 HG21 VAL 88 HG21 VAL 88 0.377 8.130 -9.205 633 HG22 VAL 88 HG22 VAL 88 0.974 6.633 -8.488 634 HG23 VAL 88 HG23 VAL 88 0.536 8.017 -7.458 635 H ARG 89 H ARG 89 -0.560 3.948 -10.136 636 HA ARG 89 HA ARG 89 -2.844 2.255 -9.357 637 HB2 ARG 89 HB2 ARG 89 -2.120 0.360 -11.112 638 HB3 ARG 89 HB3 ARG 89 -2.807 1.794 -11.785 639 HG2 ARG 89 HG2 ARG 89 -0.530 2.496 -12.456 640 HG3 ARG 89 HG3 ARG 89 0.079 0.955 -11.815 641 HD2 ARG 89 HD2 ARG 89 -1.452 -0.240 -13.185 642 HD3 ARG 89 HD3 ARG 89 -2.111 1.272 -13.798 643 HE ARG 89 HE ARG 89 0.725 1.126 -14.295 644 HH11 ARG 89 HH11 ARG 89 -2.231 -0.150 -16.008 645 HH12 ARG 89 HH12 ARG 89 -1.395 -0.282 -17.519 646 HH21 ARG 89 HH21 ARG 89 1.679 0.905 -16.317 647 HH22 ARG 89 HH22 ARG 89 0.794 0.313 -17.682 648 H LEU 90 H LEU 90 -2.937 0.603 -8.037 649 HA LEU 90 HA LEU 90 -0.554 -0.467 -6.661 650 HB2 LEU 90 HB2 LEU 90 -1.888 -0.384 -4.420 651 HB3 LEU 90 HB3 LEU 90 -1.422 1.181 -5.026 652 HG LEU 90 HG LEU 90 -3.999 1.051 -5.890 653 HD11 LEU 90 HD11 LEU 90 -4.489 -1.061 -4.994 654 HD12 LEU 90 HD12 LEU 90 -5.390 0.142 -4.048 655 HD13 LEU 90 HD13 LEU 90 -3.906 -0.599 -3.398 656 HD21 LEU 90 HD21 LEU 90 -2.944 2.784 -4.728 657 HD22 LEU 90 HD22 LEU 90 -2.995 1.895 -3.197 658 HD23 LEU 90 HD23 LEU 90 -4.508 2.461 -3.963 659 H TYR 91 H TYR 91 -0.406 -2.523 -5.999 660 HA TYR 91 HA TYR 91 -2.529 -4.492 -6.586 661 HB2 TYR 91 HB2 TYR 91 -0.351 -4.517 -8.220 662 HB3 TYR 91 HB3 TYR 91 0.430 -5.168 -6.862 663 HD1 TYR 91 HD1 TYR 91 -2.908 -6.255 -8.350 664 HD2 TYR 91 HD2 TYR 91 1.065 -7.329 -7.306 665 HE1 TYR 91 HE1 TYR 91 -3.441 -8.446 -8.935 666 HE2 TYR 91 HE2 TYR 91 0.619 -9.632 -7.922 667 HH TYR 91 HH TYR 91 -1.357 -11.153 -8.207 668 H VAL 92 H VAL 92 -3.385 -5.228 -4.920 669 HA VAL 92 HA VAL 92 -1.940 -5.708 -2.364 670 HB VAL 92 HB VAL 92 -4.085 -5.390 -1.048 671 HG11 VAL 92 HG11 VAL 92 -3.738 -3.079 -2.902 672 HG12 VAL 92 HG12 VAL 92 -2.867 -3.374 -1.395 673 HG13 VAL 92 HG13 VAL 92 -4.604 -3.042 -1.365 674 HG21 VAL 92 HG21 VAL 92 -5.525 -4.935 -3.705 675 HG22 VAL 92 HG22 VAL 92 -6.307 -4.760 -2.088 676 HG23 VAL 92 HG23 VAL 92 -5.604 -6.315 -2.639 677 H MET 93 H MET 93 -2.757 -7.358 -0.800 678 HA MET 93 HA MET 93 -3.468 -10.079 -1.848 679 HB2 MET 93 HB2 MET 93 -1.572 -11.291 -0.571 680 HB3 MET 93 HB3 MET 93 -0.974 -10.228 -1.819 681 HG2 MET 93 HG2 MET 93 -0.211 -8.612 -0.104 682 HG3 MET 93 HG3 MET 93 -0.863 -9.642 1.169 683 HE1 MET 93 HE1 MET 93 3.018 -10.031 1.611 684 HE2 MET 93 HE2 MET 93 1.497 -9.631 2.407 685 HE3 MET 93 HE3 MET 93 2.137 -8.576 1.147 686 H ARG 94 H ARG 94 -5.130 -11.017 -1.059 687 HA ARG 94 HA ARG 94 -5.713 -10.994 1.788 688 HB2 ARG 94 HB2 ARG 94 -8.308 -10.819 1.385 689 HB3 ARG 94 HB3 ARG 94 -7.418 -9.346 1.129 690 HG2 ARG 94 HG2 ARG 94 -7.669 -9.663 -1.364 691 HG3 ARG 94 HG3 ARG 94 -8.549 -11.155 -1.073 692 HD2 ARG 94 HD2 ARG 94 -9.488 -8.463 -0.035 693 HD3 ARG 94 HD3 ARG 94 -9.930 -9.060 -1.626 694 HE ARG 94 HE ARG 94 -10.646 -11.006 0.334 695 HH11 ARG 94 HH11 ARG 94 -12.092 -7.816 -0.672 696 HH12 ARG 94 HH12 ARG 94 -13.665 -8.264 -0.101 697 HH21 ARG 94 HH21 ARG 94 -12.736 -11.448 1.027 698 HH22 ARG 94 HH22 ARG 94 -14.015 -10.294 0.847 699 H ARG 95 H ARG 95 -6.128 -12.780 2.829 700 HA ARG 95 HA ARG 95 -5.642 -15.314 1.561 701 HB2 ARG 95 HB2 ARG 95 -5.820 -14.532 4.461 702 HB3 ARG 95 HB3 ARG 95 -5.954 -16.235 4.069 703 HG2 ARG 95 HG2 ARG 95 -3.715 -15.980 2.842 704 HG3 ARG 95 HG3 ARG 95 -3.595 -14.395 3.597 705 HD2 ARG 95 HD2 ARG 95 -2.409 -15.728 5.107 706 HD3 ARG 95 HD3 ARG 95 -4.059 -15.685 5.764 707 HE ARG 95 HE ARG 95 -3.919 -17.993 4.193 708 HH11 ARG 95 HH11 ARG 95 -2.262 -17.178 7.332 709 HH12 ARG 95 HH12 ARG 95 -2.133 -18.843 7.786 710 HH21 ARG 95 HH21 ARG 95 -3.687 -20.110 4.911 711 HH22 ARG 95 HH22 ARG 95 -2.932 -20.475 6.425 712 H LYS 96 H LYS 96 -6.573 -17.308 1.744 713 HA LYS 96 HA LYS 96 -9.252 -17.619 0.795 714 HB2 LYS 96 HB2 LYS 96 -8.778 -20.208 0.797 715 HB3 LYS 96 HB3 LYS 96 -7.750 -19.250 -0.226 716 HG2 LYS 96 HG2 LYS 96 -5.872 -19.565 1.215 717 HG3 LYS 96 HG3 LYS 96 -6.851 -20.211 2.544 718 HD2 LYS 96 HD2 LYS 96 -7.301 -22.193 1.082 719 HD3 LYS 96 HD3 LYS 96 -6.220 -21.495 -0.128 720 HE2 LYS 96 HE2 LYS 96 -4.363 -21.565 1.462 721 HE3 LYS 96 HE3 LYS 96 -5.433 -22.210 2.704 722 HZ1 LYS 96 HZ1 LYS 96 -5.749 -24.185 1.347 723 HZ2 LYS 96 HZ2 LYS 96 -4.107 -23.946 1.679 724 HZ3 LYS 96 HZ3 LYS 96 -4.726 -23.557 0.154 725 HA PRO 97 HA PRO 97 -12.151 -18.227 4.424 726 HB2 PRO 97 HB2 PRO 97 -13.822 -20.096 2.763 727 HB3 PRO 97 HB3 PRO 97 -14.309 -18.650 3.653 728 HG2 PRO 97 HG2 PRO 97 -14.112 -18.541 1.025 729 HG3 PRO 97 HG3 PRO 97 -13.475 -17.205 2.003 730 HD2 PRO 97 HD2 PRO 97 -11.982 -19.470 0.698 731 HD3 PRO 97 HD3 PRO 97 -11.610 -17.733 0.676 732 HA PRO 98 HA PRO 98 -12.088 -23.249 5.561 733 HB2 PRO 98 HB2 PRO 98 -10.036 -24.509 3.778 734 HB3 PRO 98 HB3 PRO 98 -11.637 -25.101 4.220 735 HG2 PRO 98 HG2 PRO 98 -11.188 -24.198 1.762 736 HG3 PRO 98 HG3 PRO 98 -12.705 -23.798 2.590 737 HD2 PRO 98 HD2 PRO 98 -10.223 -22.110 2.290 738 HD3 PRO 98 HD3 PRO 98 -11.911 -21.668 1.944 739 H ALA 99 H ALA 99 -11.065 -23.995 7.411 740 HA ALA 99 HA ALA 99 -8.299 -23.198 8.043 741 HB1 ALA 99 HB1 ALA 99 -8.910 -23.006 10.444 742 HB2 ALA 99 HB2 ALA 99 -10.534 -23.598 10.103 743 HB3 ALA 99 HB3 ALA 99 -10.022 -22.033 9.474 744 H1 VAL 1 H1 VAL 1 6.139 1.716 16.035 745 H2 VAL 1 H2 VAL 1 5.377 3.224 16.048 746 H3 VAL 1 H3 VAL 1 4.497 1.841 15.636 747 HA VAL 1 HA VAL 1 4.169 2.807 17.807 748 HB VAL 1 HB VAL 1 4.073 0.576 19.217 749 HG11 VAL 1 HG11 VAL 1 2.297 -0.509 17.922 750 HG12 VAL 1 HG12 VAL 1 2.712 0.507 16.544 751 HG13 VAL 1 HG13 VAL 1 2.119 1.243 18.034 752 HG21 VAL 1 HG21 VAL 1 4.426 -1.643 18.014 753 HG22 VAL 1 HG22 VAL 1 5.939 -0.768 18.202 754 HG23 VAL 1 HG23 VAL 1 5.143 -0.780 16.652 755 H VAL 2 H VAL 2 7.230 1.135 18.085 756 HA VAL 2 HA VAL 2 8.179 3.101 20.062 757 HB VAL 2 HB VAL 2 10.003 1.332 20.816 758 HG11 VAL 2 HG11 VAL 2 7.157 0.680 21.499 759 HG12 VAL 2 HG12 VAL 2 8.218 1.834 22.307 760 HG13 VAL 2 HG13 VAL 2 8.570 0.107 22.384 761 HG21 VAL 2 HG21 VAL 2 9.505 -1.149 20.562 762 HG22 VAL 2 HG22 VAL 2 9.837 -0.419 18.993 763 HG23 VAL 2 HG23 VAL 2 8.182 -0.764 19.457 764 H SER 3 H SER 3 8.381 2.649 16.834 765 HA SER 3 HA SER 3 11.105 3.701 16.256 766 HB2 SER 3 HB2 SER 3 11.615 1.827 14.556 767 HB3 SER 3 HB3 SER 3 11.740 1.378 16.245 768 HG SER 3 HG SER 3 9.975 0.135 16.047 769 H GLU 4 H GLU 4 8.102 4.485 15.783 770 HA GLU 4 HA GLU 4 7.585 4.563 12.924 771 HB2 GLU 4 HB2 GLU 4 5.812 4.078 14.646 772 HB3 GLU 4 HB3 GLU 4 5.842 5.778 15.174 773 HG2 GLU 4 HG2 GLU 4 4.984 6.013 12.558 774 HG3 GLU 4 HG3 GLU 4 4.839 4.285 12.914 775 H ARG 5 H ARG 5 7.898 6.050 11.480 776 HA ARG 5 HA ARG 5 7.418 8.868 11.937 777 HB2 ARG 5 HB2 ARG 5 9.867 7.906 10.257 778 HB3 ARG 5 HB3 ARG 5 9.175 9.489 9.997 779 HG2 ARG 5 HG2 ARG 5 9.828 10.125 12.305 780 HG3 ARG 5 HG3 ARG 5 10.522 8.519 12.534 781 HD2 ARG 5 HD2 ARG 5 12.091 8.934 10.695 782 HD3 ARG 5 HD3 ARG 5 11.391 10.533 10.452 783 HE ARG 5 HE ARG 5 12.270 10.282 13.142 784 HH11 ARG 5 HH11 ARG 5 13.972 10.878 9.971 785 HH12 ARG 5 HH12 ARG 5 15.318 11.644 10.749 786 HH21 ARG 5 HH21 ARG 5 14.082 11.298 14.012 787 HH22 ARG 5 HH22 ARG 5 15.370 11.874 13.006 788 H ILE 6 H ILE 6 5.243 8.361 11.395 789 HA ILE 6 HA ILE 6 4.850 7.773 8.613 790 HB ILE 6 HB ILE 6 3.828 6.054 10.414 791 HG12 ILE 6 HG12 ILE 6 2.414 6.651 7.695 792 HG13 ILE 6 HG13 ILE 6 3.796 5.637 7.990 793 HG21 ILE 6 HG21 ILE 6 1.377 6.148 10.971 794 HG22 ILE 6 HG22 ILE 6 1.359 7.822 10.425 795 HG23 ILE 6 HG23 ILE 6 2.373 7.360 11.789 796 HD11 ILE 6 HD11 ILE 6 0.870 4.959 8.501 797 HD12 ILE 6 HD12 ILE 6 2.198 3.925 9.045 798 HD13 ILE 6 HD13 ILE 6 1.912 4.211 7.313 799 H SER 7 H SER 7 5.370 9.594 8.041 800 HA SER 7 HA SER 7 3.336 11.791 7.653 801 HB2 SER 7 HB2 SER 7 5.649 12.454 8.616 802 HB3 SER 7 HB3 SER 7 6.384 11.953 7.101 803 HG SER 7 HG SER 7 4.337 13.834 6.912 804 H SER 8 H SER 8 3.120 9.255 6.211 805 HA SER 8 HA SER 8 3.935 9.495 3.385 806 HB2 SER 8 HB2 SER 8 3.004 6.981 4.929 807 HB3 SER 8 HB3 SER 8 3.525 7.031 3.281 808 HG SER 8 HG SER 8 5.165 7.744 5.496 809 H VAL 9 H VAL 9 2.441 8.350 1.680 810 HA VAL 9 HA VAL 9 -0.552 8.926 1.799 811 HB VAL 9 HB VAL 9 1.063 8.678 -0.933 812 HG11 VAL 9 HG11 VAL 9 -0.638 10.102 -1.943 813 HG12 VAL 9 HG12 VAL 9 -1.442 10.242 -0.379 814 HG13 VAL 9 HG13 VAL 9 -1.307 8.668 -1.163 815 HG21 VAL 9 HG21 VAL 9 1.340 11.141 -1.270 816 HG22 VAL 9 HG22 VAL 9 2.279 10.596 0.119 817 HG23 VAL 9 HG23 VAL 9 0.753 11.441 0.370 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 -3.062 -32.343 -0.416 2 H2 GLY 1 H2 GLY 1 -4.216 -33.570 -0.572 3 H3 GLY 1 H3 GLY 1 -3.871 -32.924 0.952 4 HA2 GLY 1 HA2 GLY 1 -5.136 -31.464 -1.309 5 HA3 GLY 1 HA3 GLY 1 -5.969 -32.064 0.116 6 H ALA 2 H ALA 2 -3.806 -29.632 -1.212 7 HA ALA 2 HA ALA 2 -3.814 -27.954 1.239 8 HB1 ALA 2 HB1 ALA 2 -1.512 -28.597 0.460 9 HB2 ALA 2 HB2 ALA 2 -1.746 -26.850 0.400 10 HB3 ALA 2 HB3 ALA 2 -1.829 -27.794 -1.083 11 H MET 3 H MET 3 -4.646 -25.894 1.335 12 HA MET 3 HA MET 3 -5.928 -24.708 -1.043 13 HB2 MET 3 HB2 MET 3 -6.801 -24.575 1.861 14 HB3 MET 3 HB3 MET 3 -7.273 -23.271 0.790 15 HG2 MET 3 HG2 MET 3 -9.113 -24.656 0.767 16 HG3 MET 3 HG3 MET 3 -8.276 -25.104 -0.688 17 HE1 MET 3 HE1 MET 3 -9.743 -27.345 -0.843 18 HE2 MET 3 HE2 MET 3 -10.554 -26.939 0.670 19 HE3 MET 3 HE3 MET 3 -9.851 -28.540 0.451 20 H GLU 4 H GLU 4 -5.796 -22.667 -1.752 21 HA GLU 4 HA GLU 4 -3.657 -21.021 -0.718 22 HB2 GLU 4 HB2 GLU 4 -2.924 -20.300 -3.121 23 HB3 GLU 4 HB3 GLU 4 -2.568 -21.939 -2.625 24 HG2 GLU 4 HG2 GLU 4 -4.431 -22.745 -4.020 25 HG3 GLU 4 HG3 GLU 4 -4.821 -21.089 -4.474 26 H MET 5 H MET 5 -3.425 -18.707 -1.288 27 HA MET 5 HA MET 5 -5.835 -17.265 -0.604 28 HB2 MET 5 HB2 MET 5 -4.360 -15.231 -0.105 29 HB3 MET 5 HB3 MET 5 -3.844 -16.662 0.742 30 HG2 MET 5 HG2 MET 5 -1.956 -16.880 -0.916 31 HG3 MET 5 HG3 MET 5 -2.474 -15.405 -1.685 32 HE1 MET 5 HE1 MET 5 -0.114 -15.632 2.361 33 HE2 MET 5 HE2 MET 5 -0.197 -16.927 1.169 34 HE3 MET 5 HE3 MET 5 -1.600 -16.565 2.176 35 H GLU 6 H GLU 6 -6.187 -14.859 -1.447 36 HA GLU 6 HA GLU 6 -6.512 -14.820 -4.363 37 HB2 GLU 6 HB2 GLU 6 -8.921 -13.800 -4.199 38 HB3 GLU 6 HB3 GLU 6 -8.798 -15.488 -3.785 39 HG2 GLU 6 HG2 GLU 6 -9.049 -14.880 -1.352 40 HG3 GLU 6 HG3 GLU 6 -9.132 -13.181 -1.792 41 H TYR 7 H TYR 7 -5.917 -13.160 -5.529 42 HA TYR 7 HA TYR 7 -4.994 -10.666 -4.211 43 HB2 TYR 7 HB2 TYR 7 -4.020 -11.805 -6.913 44 HB3 TYR 7 HB3 TYR 7 -3.422 -10.365 -6.171 45 HD1 TYR 7 HD1 TYR 7 -3.422 -14.110 -5.680 46 HD2 TYR 7 HD2 TYR 7 -1.624 -10.388 -4.707 47 HE1 TYR 7 HE1 TYR 7 -1.580 -15.323 -4.668 48 HE2 TYR 7 HE2 TYR 7 0.333 -11.583 -3.724 49 HH TYR 7 HH TYR 7 0.829 -14.933 -4.136 50 H GLU 8 H GLU 8 -5.310 -8.601 -4.946 51 HA GLU 8 HA GLU 8 -7.403 -8.035 -7.007 52 HB2 GLU 8 HB2 GLU 8 -7.520 -7.215 -4.165 53 HB3 GLU 8 HB3 GLU 8 -7.760 -5.857 -5.239 54 HG2 GLU 8 HG2 GLU 8 -9.633 -7.159 -6.305 55 HG3 GLU 8 HG3 GLU 8 -9.388 -8.395 -5.067 56 H GLU 9 H GLU 9 -7.111 -6.518 -8.546 57 HA GLU 9 HA GLU 9 -4.973 -4.573 -8.246 58 HB2 GLU 9 HB2 GLU 9 -4.649 -4.458 -10.791 59 HB3 GLU 9 HB3 GLU 9 -4.306 -6.020 -10.076 60 HG2 GLU 9 HG2 GLU 9 -6.431 -6.948 -11.062 61 HG3 GLU 9 HG3 GLU 9 -6.785 -5.377 -11.761 62 H ILE 10 H ILE 10 -5.473 -2.579 -7.739 63 HA ILE 10 HA ILE 10 -7.993 -1.322 -8.713 64 HB ILE 10 HB ILE 10 -6.561 -0.755 -5.976 65 HG12 ILE 10 HG12 ILE 10 -9.435 -1.703 -5.834 66 HG13 ILE 10 HG13 ILE 10 -8.286 -2.878 -6.441 67 HG21 ILE 10 HG21 ILE 10 -9.224 0.564 -6.856 68 HG22 ILE 10 HG22 ILE 10 -7.677 1.391 -6.663 69 HG23 ILE 10 HG23 ILE 10 -8.505 0.748 -5.240 70 HD11 ILE 10 HD11 ILE 10 -8.437 -3.354 -4.133 71 HD12 ILE 10 HD12 ILE 10 -8.473 -1.629 -3.714 72 HD13 ILE 10 HD13 ILE 10 -6.951 -2.355 -4.303 73 H THR 11 H THR 11 -8.024 0.676 -9.718 74 HA THR 11 HA THR 11 -5.539 2.255 -10.079 75 HB THR 11 HB THR 11 -7.765 2.370 -12.266 76 HG1 THR 11 HG1 THR 11 -7.309 0.316 -12.705 77 HG21 THR 11 HG21 THR 11 -4.734 2.719 -12.506 78 HG22 THR 11 HG22 THR 11 -5.873 4.049 -12.416 79 HG23 THR 11 HG23 THR 11 -5.895 2.969 -13.818 80 H LEU 12 H LEU 12 -5.468 4.120 -9.155 81 HA LEU 12 HA LEU 12 -7.832 5.682 -8.312 82 HB2 LEU 12 HB2 LEU 12 -5.079 5.367 -7.027 83 HB3 LEU 12 HB3 LEU 12 -5.967 6.821 -6.723 84 HG LEU 12 HG LEU 12 -6.823 4.002 -5.738 85 HD11 LEU 12 HD11 LEU 12 -6.098 4.705 -3.626 86 HD12 LEU 12 HD12 LEU 12 -5.490 6.215 -4.307 87 HD13 LEU 12 HD13 LEU 12 -4.780 4.675 -4.795 88 HD21 LEU 12 HD21 LEU 12 -8.778 5.637 -5.941 89 HD22 LEU 12 HD22 LEU 12 -7.877 6.751 -4.919 90 HD23 LEU 12 HD23 LEU 12 -8.389 5.192 -4.278 91 H GLU 13 H GLU 13 -8.054 7.888 -8.710 92 HA GLU 13 HA GLU 13 -6.030 9.350 -10.312 93 HB2 GLU 13 HB2 GLU 13 -8.967 10.247 -9.785 94 HB3 GLU 13 HB3 GLU 13 -7.809 11.124 -10.754 95 HG2 GLU 13 HG2 GLU 13 -9.129 10.253 -12.353 96 HG3 GLU 13 HG3 GLU 13 -7.915 9.006 -12.281 97 H ARG 14 H ARG 14 -4.847 10.967 -9.420 98 HA ARG 14 HA ARG 14 -4.361 11.028 -6.604 99 HB2 ARG 14 HB2 ARG 14 -2.622 11.303 -8.587 100 HB3 ARG 14 HB3 ARG 14 -3.034 12.990 -8.580 101 HG2 ARG 14 HG2 ARG 14 -1.869 11.725 -6.072 102 HG3 ARG 14 HG3 ARG 14 -0.812 12.098 -7.419 103 HD2 ARG 14 HD2 ARG 14 -1.452 14.495 -7.238 104 HD3 ARG 14 HD3 ARG 14 -2.528 14.104 -5.897 105 HE ARG 14 HE ARG 14 0.077 13.190 -5.282 106 HH11 ARG 14 HH11 ARG 14 -1.438 16.512 -5.353 107 HH12 ARG 14 HH12 ARG 14 -0.276 17.143 -4.233 108 HH21 ARG 14 HH21 ARG 14 1.507 14.150 -3.836 109 HH22 ARG 14 HH22 ARG 14 1.362 15.816 -3.393 110 H GLY 15 H GLY 15 -5.255 11.905 -5.005 111 HA2 GLY 15 HA2 GLY 15 -7.309 13.955 -4.988 112 HA3 GLY 15 HA3 GLY 15 -6.624 13.201 -3.576 113 H ASN 16 H ASN 16 -7.581 15.897 -3.755 114 HA ASN 16 HA ASN 16 -5.573 17.913 -4.076 115 HB2 ASN 16 HB2 ASN 16 -7.302 19.595 -3.137 116 HB3 ASN 16 HB3 ASN 16 -7.831 18.688 -4.522 117 HD21 ASN 16 HD21 ASN 16 -10.010 19.077 -4.150 118 HD22 ASN 16 HD22 ASN 16 -10.916 18.427 -2.828 119 H SER 17 H SER 17 -6.471 16.195 -1.135 120 HA SER 17 HA SER 17 -4.628 17.652 0.645 121 HB2 SER 17 HB2 SER 17 -6.707 15.487 1.303 122 HB3 SER 17 HB3 SER 17 -5.642 16.209 2.503 123 HG SER 17 HG SER 17 -6.653 18.286 1.598 124 H GLY 18 H GLY 18 -4.632 14.607 -1.281 125 HA2 GLY 18 HA2 GLY 18 -2.483 13.555 -1.803 126 HA3 GLY 18 HA3 GLY 18 -2.104 13.619 -0.087 127 H LEU 19 H LEU 19 -4.749 12.521 -2.248 128 HA LEU 19 HA LEU 19 -6.307 11.017 -2.333 129 HB2 LEU 19 HB2 LEU 19 -4.023 9.096 -1.644 130 HB3 LEU 19 HB3 LEU 19 -5.661 8.423 -1.884 131 HG LEU 19 HG LEU 19 -4.451 7.880 -3.657 132 HD11 LEU 19 HD11 LEU 19 -5.698 10.252 -4.763 133 HD12 LEU 19 HD12 LEU 19 -6.285 8.592 -4.633 134 HD13 LEU 19 HD13 LEU 19 -4.928 8.961 -5.700 135 HD21 LEU 19 HD21 LEU 19 -2.465 8.955 -3.006 136 HD22 LEU 19 HD22 LEU 19 -2.931 10.464 -3.783 137 HD23 LEU 19 HD23 LEU 19 -2.629 9.001 -4.761 138 H GLY 20 H GLY 20 -5.349 9.473 0.744 139 HA2 GLY 20 HA2 GLY 20 -6.937 10.470 2.660 140 HA3 GLY 20 HA3 GLY 20 -8.121 9.620 1.686 141 H PHE 21 H PHE 21 -4.691 8.549 2.386 142 HA PHE 21 HA PHE 21 -5.295 6.735 4.468 143 HB2 PHE 21 HB2 PHE 21 -4.578 4.612 3.320 144 HB3 PHE 21 HB3 PHE 21 -5.874 5.305 2.433 145 HD1 PHE 21 HD1 PHE 21 -5.167 6.618 0.024 146 HD2 PHE 21 HD2 PHE 21 -2.683 3.808 2.156 147 HE1 PHE 21 HE1 PHE 21 -3.951 6.118 -2.052 148 HE2 PHE 21 HE2 PHE 21 -1.434 3.360 0.065 149 HZ PHE 21 HZ PHE 21 -2.073 4.511 -2.029 150 H SER 22 H SER 22 -2.879 5.724 5.390 151 HA SER 22 HA SER 22 -0.562 6.972 4.128 152 HB2 SER 22 HB2 SER 22 -0.904 6.992 7.187 153 HB3 SER 22 HB3 SER 22 0.593 7.311 6.290 154 HG SER 22 HG SER 22 -0.536 9.102 5.310 155 H ILE 23 H ILE 23 1.509 5.853 4.233 156 HA ILE 23 HA ILE 23 1.295 3.046 4.953 157 HB ILE 23 HB ILE 23 2.713 2.310 2.918 158 HG12 ILE 23 HG12 ILE 23 1.794 3.346 0.673 159 HG13 ILE 23 HG13 ILE 23 1.268 4.709 1.644 160 HG21 ILE 23 HG21 ILE 23 0.598 1.584 1.866 161 HG22 ILE 23 HG22 ILE 23 -0.123 2.936 2.828 162 HG23 ILE 23 HG23 ILE 23 0.629 1.621 3.683 163 HD11 ILE 23 HD11 ILE 23 3.233 5.332 0.330 164 HD12 ILE 23 HD12 ILE 23 4.153 3.960 0.902 165 HD13 ILE 23 HD13 ILE 23 3.732 5.269 2.020 166 H ALA 24 H ALA 24 2.497 1.766 5.882 167 HA ALA 24 HA ALA 24 5.141 2.769 6.768 168 HB1 ALA 24 HB1 ALA 24 4.827 1.447 8.879 169 HB2 ALA 24 HB2 ALA 24 3.402 0.678 8.222 170 HB3 ALA 24 HB3 ALA 24 3.338 2.375 8.622 171 H GLY 25 H GLY 25 6.902 1.912 5.991 172 HA2 GLY 25 HA2 GLY 25 7.463 -0.832 5.270 173 HA3 GLY 25 HA3 GLY 25 7.134 0.144 3.852 174 H GLY 26 H GLY 26 9.585 -1.149 4.211 175 HA2 GLY 26 HA2 GLY 26 11.683 0.698 4.101 176 HA3 GLY 26 HA3 GLY 26 11.531 0.374 5.803 177 H THR 27 H THR 27 13.694 0.033 3.745 178 HA THR 27 HA THR 27 14.527 -2.677 4.522 179 HB THR 27 HB THR 27 16.705 -2.169 3.011 180 HG1 THR 27 HG1 THR 27 15.221 -0.769 1.237 181 HG21 THR 27 HG21 THR 27 15.631 -3.177 1.019 182 HG22 THR 27 HG22 THR 27 14.053 -2.899 1.761 183 HG23 THR 27 HG23 THR 27 15.206 -3.992 2.524 184 H ASP 28 H ASP 28 15.755 0.688 4.824 185 HA ASP 28 HA ASP 28 17.743 -0.055 6.839 186 HB2 ASP 28 HB2 ASP 28 17.502 2.546 5.221 187 HB3 ASP 28 HB3 ASP 28 18.569 2.451 6.608 188 H ASN 29 H ASN 29 14.677 1.797 6.570 189 HA ASN 29 HA ASN 29 14.659 2.646 9.365 190 HB2 ASN 29 HB2 ASN 29 13.008 3.701 6.987 191 HB3 ASN 29 HB3 ASN 29 12.556 4.093 8.633 192 HD21 ASN 29 HD21 ASN 29 13.842 5.617 9.786 193 HD22 ASN 29 HD22 ASN 29 14.995 6.636 9.001 194 HA PRO 30 HA PRO 30 11.623 -0.959 10.344 195 HB2 PRO 30 HB2 PRO 30 11.741 -0.436 13.208 196 HB3 PRO 30 HB3 PRO 30 12.499 -1.694 12.283 197 HG2 PRO 30 HG2 PRO 30 13.889 0.357 13.551 198 HG3 PRO 30 HG3 PRO 30 14.539 -0.723 12.315 199 HD2 PRO 30 HD2 PRO 30 13.645 2.123 12.048 200 HD3 PRO 30 HD3 PRO 30 14.877 1.220 11.170 201 H HIS 31 H HIS 31 9.510 -1.424 11.138 202 HA HIS 31 HA HIS 31 7.772 0.810 11.876 203 HB2 HIS 31 HB2 HIS 31 6.835 -0.115 9.770 204 HB3 HIS 31 HB3 HIS 31 7.063 -1.763 10.295 205 HD1 HIS 31 HD1 HIS 31 4.772 1.177 11.451 206 HD2 HIS 31 HD2 HIS 31 4.621 -2.935 10.870 207 HE1 HIS 31 HE1 HIS 31 2.455 0.473 12.136 208 HE2 HIS 31 HE2 HIS 31 2.429 -2.020 11.865 209 H ILE 32 H ILE 32 8.345 -2.728 12.799 210 HA ILE 32 HA ILE 32 6.982 -2.342 15.340 211 HB ILE 32 HB ILE 32 5.594 -3.495 13.488 212 HG12 ILE 32 HG12 ILE 32 4.878 -5.610 14.989 213 HG13 ILE 32 HG13 ILE 32 5.958 -4.701 16.076 214 HG21 ILE 32 HG21 ILE 32 7.283 -5.974 13.663 215 HG22 ILE 32 HG22 ILE 32 7.018 -4.919 12.273 216 HG23 ILE 32 HG23 ILE 32 5.682 -5.869 12.910 217 HD11 ILE 32 HD11 ILE 32 4.529 -2.774 16.050 218 HD12 ILE 32 HD12 ILE 32 3.471 -4.140 16.446 219 HD13 ILE 32 HD13 ILE 32 3.495 -3.469 14.794 220 H GLY 33 H GLY 33 9.981 -2.634 14.401 221 HA2 GLY 33 HA2 GLY 33 11.591 -3.284 16.490 222 HA3 GLY 33 HA3 GLY 33 11.153 -4.876 15.839 223 H ASP 34 H ASP 34 11.338 -5.076 13.506 224 HA ASP 34 HA ASP 34 13.032 -3.737 11.728 225 HB2 ASP 34 HB2 ASP 34 14.264 -6.300 12.916 226 HB3 ASP 34 HB3 ASP 34 14.680 -5.856 11.263 227 H ASP 35 H ASP 35 11.152 -3.692 10.644 228 HA ASP 35 HA ASP 35 10.009 -6.155 9.448 229 HB2 ASP 35 HB2 ASP 35 8.476 -4.409 10.719 230 HB3 ASP 35 HB3 ASP 35 8.656 -3.382 9.315 231 HA PRO 36 HA PRO 36 12.043 -5.113 5.257 232 HB2 PRO 36 HB2 PRO 36 11.295 -7.769 4.217 233 HB3 PRO 36 HB3 PRO 36 12.899 -7.135 4.573 234 HG2 PRO 36 HG2 PRO 36 11.763 -9.122 6.041 235 HG3 PRO 36 HG3 PRO 36 12.877 -7.944 6.753 236 HD2 PRO 36 HD2 PRO 36 9.863 -7.990 6.832 237 HD3 PRO 36 HD3 PRO 36 11.010 -7.712 8.160 238 H SER 37 H SER 37 8.607 -6.318 5.282 239 HA SER 37 HA SER 37 7.979 -5.466 2.535 240 HB2 SER 37 HB2 SER 37 5.792 -6.777 2.829 241 HB3 SER 37 HB3 SER 37 7.233 -7.753 3.055 242 HG SER 37 HG SER 37 5.940 -8.296 4.742 243 H ILE 38 H ILE 38 5.989 -4.180 1.869 244 HA ILE 38 HA ILE 38 5.452 -1.952 3.712 245 HB ILE 38 HB ILE 38 4.548 -1.668 0.778 246 HG12 ILE 38 HG12 ILE 38 6.797 -1.891 -0.300 247 HG13 ILE 38 HG13 ILE 38 6.850 -0.308 0.226 248 HG21 ILE 38 HG21 ILE 38 3.836 0.176 2.008 249 HG22 ILE 38 HG22 ILE 38 5.053 0.759 0.876 250 HG23 ILE 38 HG23 ILE 38 5.469 0.543 2.575 251 HD11 ILE 38 HD11 ILE 38 8.393 -0.624 2.003 252 HD12 ILE 38 HD12 ILE 38 8.999 -1.547 0.610 253 HD13 ILE 38 HD13 ILE 38 8.214 -2.383 1.929 254 H PHE 39 H PHE 39 3.744 -1.778 4.862 255 HA PHE 39 HA PHE 39 1.212 -3.283 4.489 256 HB2 PHE 39 HB2 PHE 39 2.557 -4.538 6.075 257 HB3 PHE 39 HB3 PHE 39 3.159 -3.111 6.858 258 HD1 PHE 39 HD1 PHE 39 -0.222 -4.965 6.615 259 HD2 PHE 39 HD2 PHE 39 2.653 -3.039 9.106 260 HE1 PHE 39 HE1 PHE 39 -1.550 -5.552 8.612 261 HE2 PHE 39 HE2 PHE 39 1.356 -3.644 11.107 262 HZ PHE 39 HZ PHE 39 -0.768 -4.898 10.857 263 H ILE 40 H ILE 40 -0.866 -2.305 5.155 264 HA ILE 40 HA ILE 40 -0.955 0.550 5.651 265 HB ILE 40 HB ILE 40 -3.561 -1.004 5.690 266 HG12 ILE 40 HG12 ILE 40 -2.620 -2.161 3.648 267 HG13 ILE 40 HG13 ILE 40 -3.981 -1.188 3.187 268 HG21 ILE 40 HG21 ILE 40 -4.622 0.810 4.441 269 HG22 ILE 40 HG22 ILE 40 -3.100 1.710 4.450 270 HG23 ILE 40 HG23 ILE 40 -3.912 1.320 5.975 271 HD11 ILE 40 HD11 ILE 40 -2.265 -1.048 1.445 272 HD12 ILE 40 HD12 ILE 40 -1.068 -0.627 2.753 273 HD13 ILE 40 HD13 ILE 40 -2.344 0.500 2.386 274 H THR 41 H THR 41 -1.870 1.580 7.291 275 HA THR 41 HA THR 41 -2.297 0.419 9.952 276 HB THR 41 HB THR 41 0.014 2.517 9.647 277 HG1 THR 41 HG1 THR 41 1.280 0.385 10.269 278 HG21 THR 41 HG21 THR 41 0.861 1.726 11.769 279 HG22 THR 41 HG22 THR 41 -0.510 0.590 11.923 280 HG23 THR 41 HG23 THR 41 -0.794 2.353 11.958 281 H LYS 42 H LYS 42 -2.385 3.430 7.739 282 HA LYS 42 HA LYS 42 -4.442 4.548 9.459 283 HB2 LYS 42 HB2 LYS 42 -2.450 5.955 9.834 284 HB3 LYS 42 HB3 LYS 42 -2.115 6.064 8.146 285 HG2 LYS 42 HG2 LYS 42 -2.730 8.276 9.186 286 HG3 LYS 42 HG3 LYS 42 -3.813 7.848 7.880 287 HD2 LYS 42 HD2 LYS 42 -5.529 7.394 9.298 288 HD3 LYS 42 HD3 LYS 42 -4.533 7.343 10.774 289 HE2 LYS 42 HE2 LYS 42 -4.068 9.744 10.419 290 HE3 LYS 42 HE3 LYS 42 -5.161 9.740 9.034 291 HZ1 LYS 42 HZ1 LYS 42 -6.986 9.143 10.548 292 HZ2 LYS 42 HZ2 LYS 42 -6.280 10.608 11.012 293 HZ3 LYS 42 HZ3 LYS 42 -5.922 9.193 11.865 294 H ILE 43 H ILE 43 -6.365 4.915 8.750 295 HA ILE 43 HA ILE 43 -6.883 5.473 5.979 296 HB ILE 43 HB ILE 43 -8.643 3.587 7.738 297 HG12 ILE 43 HG12 ILE 43 -6.914 2.142 6.729 298 HG13 ILE 43 HG13 ILE 43 -8.376 1.701 5.992 299 HG21 ILE 43 HG21 ILE 43 -10.381 3.151 5.970 300 HG22 ILE 43 HG22 ILE 43 -9.683 4.523 5.083 301 HG23 ILE 43 HG23 ILE 43 -10.372 4.784 6.688 302 HD11 ILE 43 HD11 ILE 43 -6.541 1.688 4.303 303 HD12 ILE 43 HD12 ILE 43 -6.119 3.335 4.711 304 HD13 ILE 43 HD13 ILE 43 -7.621 3.035 3.854 305 H ILE 44 H ILE 44 -7.787 7.459 5.694 306 HA ILE 44 HA ILE 44 -8.997 9.072 7.771 307 HB ILE 44 HB ILE 44 -8.251 9.778 4.795 308 HG12 ILE 44 HG12 ILE 44 -6.644 11.530 5.742 309 HG13 ILE 44 HG13 ILE 44 -6.949 10.846 7.351 310 HG21 ILE 44 HG21 ILE 44 -9.415 11.891 6.617 311 HG22 ILE 44 HG22 ILE 44 -10.135 11.226 5.144 312 HG23 ILE 44 HG23 ILE 44 -8.653 12.187 5.041 313 HD11 ILE 44 HD11 ILE 44 -5.923 8.822 6.609 314 HD12 ILE 44 HD12 ILE 44 -4.782 10.179 6.329 315 HD13 ILE 44 HD13 ILE 44 -5.753 9.472 4.991 316 HA PRO 45 HA PRO 45 -13.509 7.869 7.130 317 HB2 PRO 45 HB2 PRO 45 -14.316 10.412 8.505 318 HB3 PRO 45 HB3 PRO 45 -14.669 8.743 8.958 319 HG2 PRO 45 HG2 PRO 45 -12.920 10.161 10.376 320 HG3 PRO 45 HG3 PRO 45 -12.589 8.458 10.007 321 HD2 PRO 45 HD2 PRO 45 -11.509 10.919 8.621 322 HD3 PRO 45 HD3 PRO 45 -10.604 9.519 9.209 323 H GLY 46 H GLY 46 -12.435 10.991 5.795 324 HA2 GLY 46 HA2 GLY 46 -14.607 11.063 3.764 325 HA3 GLY 46 HA3 GLY 46 -14.054 12.528 4.544 326 H GLY 47 H GLY 47 -11.848 9.840 3.341 327 HA2 GLY 47 HA2 GLY 47 -10.514 11.573 1.382 328 HA3 GLY 47 HA3 GLY 47 -9.971 10.013 1.948 329 H ALA 48 H ALA 48 -9.447 10.152 -0.508 330 HA ALA 48 HA ALA 48 -11.468 9.621 -2.510 331 HB1 ALA 48 HB1 ALA 48 -9.658 9.899 -4.175 332 HB2 ALA 48 HB2 ALA 48 -8.438 9.777 -2.905 333 HB3 ALA 48 HB3 ALA 48 -9.480 11.160 -2.950 334 H ALA 49 H ALA 49 -8.907 7.539 -0.948 335 HA ALA 49 HA ALA 49 -9.448 5.139 -2.509 336 HB1 ALA 49 HB1 ALA 49 -7.664 5.372 -0.077 337 HB2 ALA 49 HB2 ALA 49 -7.175 5.669 -1.755 338 HB3 ALA 49 HB3 ALA 49 -7.690 4.061 -1.264 339 H ALA 50 H ALA 50 -10.715 6.334 0.573 340 HA ALA 50 HA ALA 50 -11.834 3.852 1.602 341 HB1 ALA 50 HB1 ALA 50 -10.898 5.574 3.175 342 HB2 ALA 50 HB2 ALA 50 -12.573 5.204 3.556 343 HB3 ALA 50 HB3 ALA 50 -12.175 6.688 2.702 344 H GLN 51 H GLN 51 -13.259 6.906 0.084 345 HA GLN 51 HA GLN 51 -15.957 5.852 -0.078 346 HB2 GLN 51 HB2 GLN 51 -14.918 8.616 -0.869 347 HB3 GLN 51 HB3 GLN 51 -16.604 8.154 -0.997 348 HG2 GLN 51 HG2 GLN 51 -16.405 7.727 1.596 349 HG3 GLN 51 HG3 GLN 51 -14.948 8.646 1.476 350 HE21 GLN 51 HE21 GLN 51 -14.975 10.904 1.238 351 HE22 GLN 51 HE22 GLN 51 -16.417 11.850 1.339 352 H ASP 52 H ASP 52 -13.563 7.074 -2.726 353 HA ASP 52 HA ASP 52 -15.316 6.180 -4.859 354 HB2 ASP 52 HB2 ASP 52 -13.000 8.079 -4.708 355 HB3 ASP 52 HB3 ASP 52 -13.400 7.408 -6.260 356 H GLY 53 H GLY 53 -12.145 5.029 -3.574 357 HA2 GLY 53 HA2 GLY 53 -11.293 3.550 -5.987 358 HA3 GLY 53 HA3 GLY 53 -10.384 3.730 -4.512 359 H ARG 54 H ARG 54 -11.976 2.520 -2.566 360 HA ARG 54 HA ARG 54 -12.711 0.849 -1.505 361 HB2 ARG 54 HB2 ARG 54 -13.338 -0.524 -4.099 362 HB3 ARG 54 HB3 ARG 54 -13.501 -1.482 -2.628 363 HG2 ARG 54 HG2 ARG 54 -15.237 0.164 -1.823 364 HG3 ARG 54 HG3 ARG 54 -15.044 1.079 -3.312 365 HD2 ARG 54 HD2 ARG 54 -15.980 -1.811 -3.254 366 HD3 ARG 54 HD3 ARG 54 -17.093 -0.455 -3.146 367 HE ARG 54 HE ARG 54 -15.500 -0.139 -5.488 368 HH11 ARG 54 HH11 ARG 54 -18.265 -2.358 -4.657 369 HH12 ARG 54 HH12 ARG 54 -18.694 -2.570 -6.322 370 HH21 ARG 54 HH21 ARG 54 -16.169 -0.502 -7.599 371 HH22 ARG 54 HH22 ARG 54 -17.519 -1.528 -7.959 372 H LEU 55 H LEU 55 -10.412 1.329 -0.998 373 HA LEU 55 HA LEU 55 -9.059 -1.169 -0.324 374 HB2 LEU 55 HB2 LEU 55 -7.556 0.227 -1.543 375 HB3 LEU 55 HB3 LEU 55 -8.035 1.701 -0.741 376 HG LEU 55 HG LEU 55 -6.611 -0.011 1.140 377 HD11 LEU 55 HD11 LEU 55 -5.129 0.472 -1.435 378 HD12 LEU 55 HD12 LEU 55 -5.623 -1.100 -0.796 379 HD13 LEU 55 HD13 LEU 55 -4.435 -0.131 0.072 380 HD21 LEU 55 HD21 LEU 55 -5.185 1.967 1.296 381 HD22 LEU 55 HD22 LEU 55 -6.914 2.404 1.152 382 HD23 LEU 55 HD23 LEU 55 -5.870 2.548 -0.235 383 H ARG 56 H ARG 56 -9.034 -1.943 1.649 384 HA ARG 56 HA ARG 56 -9.621 -0.375 4.073 385 HB2 ARG 56 HB2 ARG 56 -10.242 -3.361 3.517 386 HB3 ARG 56 HB3 ARG 56 -10.152 -2.796 5.157 387 HG2 ARG 56 HG2 ARG 56 -12.036 -1.294 4.700 388 HG3 ARG 56 HG3 ARG 56 -12.121 -1.961 3.056 389 HD2 ARG 56 HD2 ARG 56 -12.351 -4.149 3.902 390 HD3 ARG 56 HD3 ARG 56 -12.109 -3.546 5.541 391 HE ARG 56 HE ARG 56 -14.386 -2.241 4.411 392 HH11 ARG 56 HH11 ARG 56 -13.923 -5.601 5.751 393 HH12 ARG 56 HH12 ARG 56 -15.614 -5.794 6.071 394 HH21 ARG 56 HH21 ARG 56 -16.555 -2.632 4.882 395 HH22 ARG 56 HH22 ARG 56 -17.075 -4.128 5.584 396 H VAL 57 H VAL 57 -8.373 -0.878 6.109 397 HA VAL 57 HA VAL 57 -5.549 -0.783 5.904 398 HB VAL 57 HB VAL 57 -7.357 0.045 7.549 399 HG11 VAL 57 HG11 VAL 57 -8.352 -0.978 8.813 400 HG12 VAL 57 HG12 VAL 57 -6.895 -0.846 9.912 401 HG13 VAL 57 HG13 VAL 57 -7.181 -2.333 8.923 402 HG21 VAL 57 HG21 VAL 57 -5.685 0.636 9.347 403 HG22 VAL 57 HG22 VAL 57 -5.669 1.171 7.663 404 HG23 VAL 57 HG23 VAL 57 -4.534 -0.111 8.180 405 H ASN 58 H ASN 58 -7.457 -3.600 6.296 406 HA ASN 58 HA ASN 58 -5.352 -5.439 6.955 407 HB2 ASN 58 HB2 ASN 58 -7.637 -5.286 8.090 408 HB3 ASN 58 HB3 ASN 58 -8.375 -5.970 6.663 409 HD21 ASN 58 HD21 ASN 58 -8.120 -8.252 6.260 410 HD22 ASN 58 HD22 ASN 58 -7.551 -9.352 7.462 411 H ASP 59 H ASP 59 -5.905 -3.968 3.919 412 HA ASP 59 HA ASP 59 -6.084 -6.360 2.239 413 HB2 ASP 59 HB2 ASP 59 -6.505 -3.451 1.620 414 HB3 ASP 59 HB3 ASP 59 -5.967 -4.465 0.296 415 H SER 60 H SER 60 -3.478 -4.046 3.084 416 HA SER 60 HA SER 60 -1.280 -3.711 2.550 417 HB2 SER 60 HB2 SER 60 -1.185 -6.730 3.023 418 HB3 SER 60 HB3 SER 60 0.243 -5.702 3.043 419 HG SER 60 HG SER 60 -0.259 -5.549 5.091 420 H ILE 61 H ILE 61 -0.026 -3.025 0.930 421 HA ILE 61 HA ILE 61 -0.388 -4.145 -1.771 422 HB ILE 61 HB ILE 61 1.438 -1.622 -1.379 423 HG12 ILE 61 HG12 ILE 61 -1.565 -1.139 -1.960 424 HG13 ILE 61 HG13 ILE 61 -1.069 -1.335 -0.294 425 HG21 ILE 61 HG21 ILE 61 1.381 -2.610 -3.676 426 HG22 ILE 61 HG22 ILE 61 0.699 -0.989 -3.720 427 HG23 ILE 61 HG23 ILE 61 -0.369 -2.390 -3.751 428 HD11 ILE 61 HD11 ILE 61 0.339 0.729 -0.490 429 HD12 ILE 61 HD12 ILE 61 -1.356 1.065 -0.893 430 HD13 ILE 61 HD13 ILE 61 -0.161 0.867 -2.181 431 H LEU 62 H LEU 62 0.940 -5.570 -2.909 432 HA LEU 62 HA LEU 62 3.739 -6.047 -2.073 433 HB2 LEU 62 HB2 LEU 62 3.716 -8.080 -3.512 434 HB3 LEU 62 HB3 LEU 62 2.473 -8.209 -2.274 435 HG LEU 62 HG LEU 62 1.747 -7.557 -5.158 436 HD11 LEU 62 HD11 LEU 62 1.322 -9.919 -5.439 437 HD12 LEU 62 HD12 LEU 62 2.099 -10.230 -3.876 438 HD13 LEU 62 HD13 LEU 62 3.046 -9.557 -5.224 439 HD21 LEU 62 HD21 LEU 62 -0.352 -8.626 -4.575 440 HD22 LEU 62 HD22 LEU 62 -0.014 -7.306 -3.452 441 HD23 LEU 62 HD23 LEU 62 0.251 -8.978 -2.956 442 H PHE 63 H PHE 63 1.920 -4.965 -4.917 443 HA PHE 63 HA PHE 63 4.450 -3.860 -6.014 444 HB2 PHE 63 HB2 PHE 63 2.456 -5.501 -7.656 445 HB3 PHE 63 HB3 PHE 63 3.587 -4.427 -8.474 446 HD1 PHE 63 HD1 PHE 63 3.373 -7.463 -6.303 447 HD2 PHE 63 HD2 PHE 63 5.865 -5.151 -8.813 448 HE1 PHE 63 HE1 PHE 63 4.953 -9.289 -6.289 449 HE2 PHE 63 HE2 PHE 63 7.547 -6.872 -8.800 450 HZ PHE 63 HZ PHE 63 7.137 -9.041 -7.546 451 H VAL 64 H VAL 64 4.532 -1.776 -6.642 452 HA VAL 64 HA VAL 64 2.012 -0.146 -6.957 453 HB VAL 64 HB VAL 64 4.642 1.128 -5.725 454 HG11 VAL 64 HG11 VAL 64 3.367 3.101 -4.975 455 HG12 VAL 64 HG12 VAL 64 1.909 2.451 -5.745 456 HG13 VAL 64 HG13 VAL 64 3.310 2.892 -6.728 457 HG21 VAL 64 HG21 VAL 64 2.177 0.458 -4.099 458 HG22 VAL 64 HG22 VAL 64 3.601 1.316 -3.500 459 HG23 VAL 64 HG23 VAL 64 3.732 -0.367 -4.021 460 H ASN 65 H ASN 65 1.682 1.025 -8.780 461 HA ASN 65 HA ASN 65 1.796 1.821 -10.870 462 HB2 ASN 65 HB2 ASN 65 4.884 1.947 -10.493 463 HB3 ASN 65 HB3 ASN 65 4.244 2.418 -12.041 464 HD21 ASN 65 HD21 ASN 65 3.089 4.439 -12.150 465 HD22 ASN 65 HD22 ASN 65 3.185 5.604 -10.878 466 H GLU 66 H GLU 66 2.460 -1.268 -10.288 467 HA GLU 66 HA GLU 66 2.839 -3.289 -11.047 468 HB2 GLU 66 HB2 GLU 66 3.127 -2.226 -13.966 469 HB3 GLU 66 HB3 GLU 66 3.375 -3.919 -13.595 470 HG2 GLU 66 HG2 GLU 66 1.006 -4.078 -12.834 471 HG3 GLU 66 HG3 GLU 66 0.777 -2.382 -13.237 472 H VAL 67 H VAL 67 5.019 -1.211 -10.160 473 HA VAL 67 HA VAL 67 7.389 -2.711 -10.741 474 HB VAL 67 HB VAL 67 8.798 -0.936 -9.882 475 HG11 VAL 67 HG11 VAL 67 7.169 0.072 -12.104 476 HG12 VAL 67 HG12 VAL 67 8.528 -1.087 -12.063 477 HG13 VAL 67 HG13 VAL 67 8.826 0.633 -11.678 478 HG21 VAL 67 HG21 VAL 67 7.438 0.290 -8.343 479 HG22 VAL 67 HG22 VAL 67 6.504 1.089 -9.663 480 HG23 VAL 67 HG23 VAL 67 8.246 1.440 -9.423 481 H ASP 68 H ASP 68 9.100 -2.924 -9.166 482 HA ASP 68 HA ASP 68 7.968 -4.397 -7.142 483 HB2 ASP 68 HB2 ASP 68 10.240 -5.729 -6.839 484 HB3 ASP 68 HB3 ASP 68 9.384 -5.914 -8.349 485 H VAL 69 H VAL 69 7.483 -3.577 -5.304 486 HA VAL 69 HA VAL 69 9.363 -1.931 -3.809 487 HB VAL 69 HB VAL 69 7.604 -1.043 -2.319 488 HG11 VAL 69 HG11 VAL 69 7.061 -0.400 -5.175 489 HG12 VAL 69 HG12 VAL 69 8.072 0.360 -3.915 490 HG13 VAL 69 HG13 VAL 69 6.321 0.348 -3.716 491 HG21 VAL 69 HG21 VAL 69 5.877 -2.428 -1.976 492 HG22 VAL 69 HG22 VAL 69 5.604 -2.836 -3.695 493 HG23 VAL 69 HG23 VAL 69 5.055 -1.273 -3.046 494 H ARG 70 H ARG 70 8.492 -5.093 -3.680 495 HA ARG 70 HA ARG 70 8.470 -5.984 -1.034 496 HB2 ARG 70 HB2 ARG 70 9.239 -8.280 -1.843 497 HB3 ARG 70 HB3 ARG 70 7.820 -7.638 -2.644 498 HG2 ARG 70 HG2 ARG 70 9.310 -7.153 -4.654 499 HG3 ARG 70 HG3 ARG 70 10.645 -7.911 -3.786 500 HD2 ARG 70 HD2 ARG 70 9.368 -10.010 -3.678 501 HD3 ARG 70 HD3 ARG 70 8.046 -9.244 -4.562 502 HE ARG 70 HE ARG 70 10.390 -8.973 -6.093 503 HH11 ARG 70 HH11 ARG 70 8.260 -11.844 -5.361 504 HH12 ARG 70 HH12 ARG 70 8.743 -12.666 -6.808 505 HH21 ARG 70 HH21 ARG 70 10.922 -10.157 -7.921 506 HH22 ARG 70 HH22 ARG 70 10.232 -11.716 -8.233 507 H GLU 71 H GLU 71 11.347 -4.670 -2.342 508 HA GLU 71 HA GLU 71 12.899 -4.836 0.041 509 HB2 GLU 71 HB2 GLU 71 13.632 -7.009 -1.318 510 HB3 GLU 71 HB3 GLU 71 14.363 -5.921 -2.490 511 HG2 GLU 71 HG2 GLU 71 15.974 -5.174 -0.682 512 HG3 GLU 71 HG3 GLU 71 15.234 -6.333 0.411 513 H VAL 72 H VAL 72 12.119 -2.681 -0.101 514 HA VAL 72 HA VAL 72 13.943 -0.738 -1.283 515 HB VAL 72 HB VAL 72 12.384 0.859 -2.240 516 HG11 VAL 72 HG11 VAL 72 11.207 -0.016 -4.114 517 HG12 VAL 72 HG12 VAL 72 11.504 -1.633 -3.490 518 HG13 VAL 72 HG13 VAL 72 12.873 -0.581 -3.905 519 HG21 VAL 72 HG21 VAL 72 10.441 0.958 -0.771 520 HG22 VAL 72 HG22 VAL 72 9.852 -0.612 -1.326 521 HG23 VAL 72 HG23 VAL 72 9.838 0.786 -2.419 522 H THR 73 H THR 73 13.977 1.429 -0.262 523 HA THR 73 HA THR 73 13.331 1.645 2.582 524 HB THR 73 HB THR 73 14.038 4.210 2.149 525 HG1 THR 73 HG1 THR 73 15.005 3.032 -0.197 526 HG21 THR 73 HG21 THR 73 16.427 3.720 2.450 527 HG22 THR 73 HG22 THR 73 16.093 2.001 2.143 528 HG23 THR 73 HG23 THR 73 15.365 2.829 3.539 529 H HIS 74 H HIS 74 12.066 3.489 3.608 530 HA HIS 74 HA HIS 74 9.349 3.844 3.123 531 HB2 HIS 74 HB2 HIS 74 10.502 4.314 5.320 532 HB3 HIS 74 HB3 HIS 74 11.303 5.701 4.647 533 HD1 HIS 74 HD1 HIS 74 10.167 7.960 5.098 534 HD2 HIS 74 HD2 HIS 74 7.639 4.774 6.003 535 HE1 HIS 74 HE1 HIS 74 8.228 8.972 6.365 536 HE2 HIS 74 HE2 HIS 74 6.699 7.033 6.860 537 H SER 75 H SER 75 11.805 6.456 2.271 538 HA SER 75 HA SER 75 10.158 8.247 0.756 539 HB2 SER 75 HB2 SER 75 13.212 8.013 0.805 540 HB3 SER 75 HB3 SER 75 12.355 9.301 -0.040 541 HG SER 75 HG SER 75 11.713 10.141 1.871 542 H ALA 76 H ALA 76 12.045 5.410 -0.360 543 HA ALA 76 HA ALA 76 11.823 5.616 -3.215 544 HB1 ALA 76 HB1 ALA 76 12.738 3.340 -3.224 545 HB2 ALA 76 HB2 ALA 76 12.337 3.202 -1.502 546 HB3 ALA 76 HB3 ALA 76 13.586 4.335 -2.014 547 H ALA 77 H ALA 77 9.483 4.383 -0.730 548 HA ALA 77 HA ALA 77 7.677 3.042 -2.620 549 HB1 ALA 77 HB1 ALA 77 8.117 1.981 -0.413 550 HB2 ALA 77 HB2 ALA 77 6.395 2.381 -0.600 551 HB3 ALA 77 HB3 ALA 77 7.453 3.415 0.378 552 H VAL 78 H VAL 78 7.787 6.074 -0.673 553 HA VAL 78 HA VAL 78 5.138 7.161 -1.373 554 HB VAL 78 HB VAL 78 7.568 8.608 0.012 555 HG11 VAL 78 HG11 VAL 78 5.948 10.380 -0.922 556 HG12 VAL 78 HG12 VAL 78 6.131 10.408 0.840 557 HG13 VAL 78 HG13 VAL 78 4.706 9.654 0.121 558 HG21 VAL 78 HG21 VAL 78 6.308 8.420 2.093 559 HG22 VAL 78 HG22 VAL 78 6.561 6.829 1.317 560 HG23 VAL 78 HG23 VAL 78 4.997 7.672 1.162 561 H GLU 79 H GLU 79 8.409 7.757 -2.782 562 HA GLU 79 HA GLU 79 7.937 9.795 -4.682 563 HB2 GLU 79 HB2 GLU 79 10.136 7.775 -4.459 564 HB3 GLU 79 HB3 GLU 79 10.084 8.809 -5.873 565 HG2 GLU 79 HG2 GLU 79 10.068 10.798 -4.286 566 HG3 GLU 79 HG3 GLU 79 10.341 9.614 -3.011 567 H ALA 80 H ALA 80 7.378 6.307 -5.035 568 HA ALA 80 HA ALA 80 6.776 6.204 -7.844 569 HB1 ALA 80 HB1 ALA 80 5.884 3.917 -7.333 570 HB2 ALA 80 HB2 ALA 80 5.946 4.296 -5.604 571 HB3 ALA 80 HB3 ALA 80 7.429 4.191 -6.532 572 H LEU 81 H LEU 81 4.791 7.264 -4.984 573 HA LEU 81 HA LEU 81 2.216 7.315 -6.376 574 HB2 LEU 81 HB2 LEU 81 2.854 7.894 -3.424 575 HB3 LEU 81 HB3 LEU 81 1.248 7.945 -4.107 576 HG LEU 81 HG LEU 81 2.666 5.409 -4.463 577 HD11 LEU 81 HD11 LEU 81 2.379 4.644 -2.187 578 HD12 LEU 81 HD12 LEU 81 2.012 6.321 -1.724 579 HD13 LEU 81 HD13 LEU 81 3.576 5.912 -2.457 580 HD21 LEU 81 HD21 LEU 81 0.529 4.410 -3.762 581 HD22 LEU 81 HD22 LEU 81 0.326 5.632 -5.032 582 HD23 LEU 81 HD23 LEU 81 -0.085 6.032 -3.359 583 H LYS 82 H LYS 82 4.673 9.556 -5.179 584 HA LYS 82 HA LYS 82 3.296 12.011 -5.810 585 HB2 LYS 82 HB2 LYS 82 6.029 11.418 -4.711 586 HB3 LYS 82 HB3 LYS 82 5.668 13.054 -5.215 587 HG2 LYS 82 HG2 LYS 82 3.756 13.108 -3.546 588 HG3 LYS 82 HG3 LYS 82 4.243 11.526 -2.965 589 HD2 LYS 82 HD2 LYS 82 6.382 12.396 -2.211 590 HD3 LYS 82 HD3 LYS 82 6.078 13.957 -2.964 591 HE2 LYS 82 HE2 LYS 82 4.399 12.841 -0.682 592 HE3 LYS 82 HE3 LYS 82 5.831 13.818 -0.414 593 HZ1 LYS 82 HZ1 LYS 82 4.725 15.669 -1.580 594 HZ2 LYS 82 HZ2 LYS 82 3.801 15.154 -0.263 595 HZ3 LYS 82 HZ3 LYS 82 3.350 14.712 -1.831 596 H GLU 83 H GLU 83 5.732 9.983 -7.504 597 HA GLU 83 HA GLU 83 6.380 11.854 -9.617 598 HB2 GLU 83 HB2 GLU 83 7.861 10.368 -10.679 599 HB3 GLU 83 HB3 GLU 83 7.791 10.133 -8.893 600 HG2 GLU 83 HG2 GLU 83 6.798 7.957 -9.120 601 HG3 GLU 83 HG3 GLU 83 6.550 8.152 -10.852 602 H ALA 84 H ALA 84 3.864 9.271 -9.810 603 HA ALA 84 HA ALA 84 3.459 9.362 -12.570 604 HB1 ALA 84 HB1 ALA 84 1.500 7.901 -12.095 605 HB2 ALA 84 HB2 ALA 84 1.636 8.355 -10.385 606 HB3 ALA 84 HB3 ALA 84 2.927 7.453 -11.145 607 H GLY 85 H GLY 85 2.336 11.389 -10.127 608 HA2 GLY 85 HA2 GLY 85 1.632 13.758 -10.144 609 HA3 GLY 85 HA3 GLY 85 1.406 13.342 -11.837 610 H SER 86 H SER 86 -0.609 11.560 -11.800 611 HA SER 86 HA SER 86 -3.062 13.031 -11.130 612 HB2 SER 86 HB2 SER 86 -1.789 12.659 -13.699 613 HB3 SER 86 HB3 SER 86 -3.586 12.688 -13.824 614 HG SER 86 HG SER 86 -1.936 14.738 -13.921 615 H ILE 87 H ILE 87 -1.514 10.061 -12.435 616 HA ILE 87 HA ILE 87 -3.844 8.364 -11.749 617 HB ILE 87 HB ILE 87 -2.439 8.015 -14.490 618 HG12 ILE 87 HG12 ILE 87 -3.885 9.979 -14.655 619 HG13 ILE 87 HG13 ILE 87 -4.479 8.812 -15.831 620 HG21 ILE 87 HG21 ILE 87 -3.096 5.805 -13.953 621 HG22 ILE 87 HG22 ILE 87 -4.193 6.312 -15.268 622 HG23 ILE 87 HG23 ILE 87 -4.743 6.335 -13.572 623 HD11 ILE 87 HD11 ILE 87 -6.331 10.182 -14.761 624 HD12 ILE 87 HD12 ILE 87 -5.775 9.625 -13.160 625 HD13 ILE 87 HD13 ILE 87 -6.475 8.485 -14.271 626 H VAL 88 H VAL 88 -3.289 7.127 -10.278 627 HA VAL 88 HA VAL 88 -0.750 5.640 -10.244 628 HB VAL 88 HB VAL 88 -2.192 6.257 -8.137 629 HG11 VAL 88 HG11 VAL 88 0.361 7.715 -9.001 630 HG12 VAL 88 HG12 VAL 88 0.921 6.148 -8.413 631 HG13 VAL 88 HG13 VAL 88 0.510 7.457 -7.263 632 HG21 VAL 88 HG21 VAL 88 -1.417 7.289 -6.216 633 HG22 VAL 88 HG22 VAL 88 -2.428 5.898 -6.614 634 HG23 VAL 88 HG23 VAL 88 -2.835 7.496 -7.249 635 H ARG 89 H ARG 89 -0.728 3.636 -10.370 636 HA ARG 89 HA ARG 89 -3.070 1.960 -9.706 637 HB2 ARG 89 HB2 ARG 89 -2.500 0.265 -11.695 638 HB3 ARG 89 HB3 ARG 89 -3.070 1.820 -12.187 639 HG2 ARG 89 HG2 ARG 89 -0.764 2.414 -12.828 640 HG3 ARG 89 HG3 ARG 89 -0.237 0.798 -12.317 641 HD2 ARG 89 HD2 ARG 89 -1.861 -0.186 -13.760 642 HD3 ARG 89 HD3 ARG 89 -2.387 1.408 -14.279 643 HE ARG 89 HE ARG 89 0.416 1.149 -14.770 644 HH11 ARG 89 HH11 ARG 89 -2.538 -0.065 -16.533 645 HH12 ARG 89 HH12 ARG 89 -1.686 -0.190 -18.037 646 HH21 ARG 89 HH21 ARG 89 1.393 0.938 -16.785 647 HH22 ARG 89 HH22 ARG 89 0.515 0.373 -18.167 648 H LEU 90 H LEU 90 -3.084 0.776 -8.009 649 HA LEU 90 HA LEU 90 -0.667 -0.520 -6.953 650 HB2 LEU 90 HB2 LEU 90 -1.784 -0.372 -4.626 651 HB3 LEU 90 HB3 LEU 90 -1.432 1.181 -5.320 652 HG LEU 90 HG LEU 90 -4.072 1.108 -5.869 653 HD11 LEU 90 HD11 LEU 90 -5.342 0.043 -4.063 654 HD12 LEU 90 HD12 LEU 90 -3.842 -0.753 -3.532 655 HD13 LEU 90 HD13 LEU 90 -4.511 -1.104 -5.124 656 HD21 LEU 90 HD21 LEU 90 -2.827 2.690 -4.580 657 HD22 LEU 90 HD22 LEU 90 -2.895 1.631 -3.164 658 HD23 LEU 90 HD23 LEU 90 -4.388 2.346 -3.823 659 H TYR 91 H TYR 91 -0.518 -2.564 -6.142 660 HA TYR 91 HA TYR 91 -2.636 -4.546 -6.706 661 HB2 TYR 91 HB2 TYR 91 -0.496 -4.590 -8.363 662 HB3 TYR 91 HB3 TYR 91 0.333 -5.199 -7.015 663 HD1 TYR 91 HD1 TYR 91 -2.994 -6.334 -8.498 664 HD2 TYR 91 HD2 TYR 91 0.940 -7.390 -7.304 665 HE1 TYR 91 HE1 TYR 91 -3.538 -8.547 -8.980 666 HE2 TYR 91 HE2 TYR 91 0.499 -9.705 -7.793 667 HH TYR 91 HH TYR 91 -2.271 -10.722 -9.605 668 H VAL 92 H VAL 92 -3.476 -5.315 -5.014 669 HA VAL 92 HA VAL 92 -1.994 -5.693 -2.464 670 HB VAL 92 HB VAL 92 -4.123 -5.376 -1.122 671 HG11 VAL 92 HG11 VAL 92 -4.621 -3.033 -1.437 672 HG12 VAL 92 HG12 VAL 92 -3.807 -3.089 -2.993 673 HG13 VAL 92 HG13 VAL 92 -2.881 -3.373 -1.508 674 HG21 VAL 92 HG21 VAL 92 -5.727 -6.256 -2.546 675 HG22 VAL 92 HG22 VAL 92 -5.524 -5.056 -3.782 676 HG23 VAL 92 HG23 VAL 92 -6.318 -4.598 -2.215 677 H MET 93 H MET 93 -2.798 -7.288 -0.811 678 HA MET 93 HA MET 93 -3.510 -9.992 -1.788 679 HB2 MET 93 HB2 MET 93 -1.566 -11.237 -0.631 680 HB3 MET 93 HB3 MET 93 -1.021 -10.147 -1.872 681 HG2 MET 93 HG2 MET 93 0.626 -10.002 -0.203 682 HG3 MET 93 HG3 MET 93 -0.333 -8.549 0.027 683 HE1 MET 93 HE1 MET 93 0.876 -8.292 2.465 684 HE2 MET 93 HE2 MET 93 1.769 -9.762 2.092 685 HE3 MET 93 HE3 MET 93 0.932 -9.611 3.638 686 H ARG 94 H ARG 94 -5.175 -10.861 -0.950 687 HA ARG 94 HA ARG 94 -5.692 -10.666 1.900 688 HB2 ARG 94 HB2 ARG 94 -8.281 -10.585 1.528 689 HB3 ARG 94 HB3 ARG 94 -7.429 -9.125 1.117 690 HG2 ARG 94 HG2 ARG 94 -7.747 -9.624 -1.313 691 HG3 ARG 94 HG3 ARG 94 -8.503 -11.158 -0.909 692 HD2 ARG 94 HD2 ARG 94 -9.634 -8.479 -0.042 693 HD3 ARG 94 HD3 ARG 94 -10.056 -9.227 -1.575 694 HE ARG 94 HE ARG 94 -10.558 -11.008 0.644 695 HH11 ARG 94 HH11 ARG 94 -12.361 -8.290 -0.982 696 HH12 ARG 94 HH12 ARG 94 -13.888 -8.845 -0.383 697 HH21 ARG 94 HH21 ARG 94 -12.596 -11.607 1.349 698 HH22 ARG 94 HH22 ARG 94 -14.011 -10.707 0.920 699 H ARG 95 H ARG 95 -6.127 -12.288 3.104 700 HA ARG 95 HA ARG 95 -5.644 -14.973 2.181 701 HB2 ARG 95 HB2 ARG 95 -5.899 -13.830 4.970 702 HB3 ARG 95 HB3 ARG 95 -6.000 -15.568 4.783 703 HG2 ARG 95 HG2 ARG 95 -3.766 -15.537 3.706 704 HG3 ARG 95 HG3 ARG 95 -3.654 -13.803 4.021 705 HD2 ARG 95 HD2 ARG 95 -3.893 -14.264 6.441 706 HD3 ARG 95 HD3 ARG 95 -3.957 -15.990 6.069 707 HE ARG 95 HE ARG 95 -1.581 -14.992 4.964 708 HH11 ARG 95 HH11 ARG 95 -2.593 -15.543 8.424 709 HH12 ARG 95 HH12 ARG 95 -0.953 -15.684 8.965 710 HH21 ARG 95 HH21 ARG 95 0.497 -15.202 5.807 711 HH22 ARG 95 HH22 ARG 95 0.766 -15.495 7.493 712 H LYS 96 H LYS 96 -6.659 -16.836 2.218 713 HA LYS 96 HA LYS 96 -9.308 -17.077 1.312 714 HB2 LYS 96 HB2 LYS 96 -8.885 -19.691 1.334 715 HB3 LYS 96 HB3 LYS 96 -7.805 -18.735 0.365 716 HG2 LYS 96 HG2 LYS 96 -6.273 -20.217 1.318 717 HG3 LYS 96 HG3 LYS 96 -6.202 -18.955 2.531 718 HD2 LYS 96 HD2 LYS 96 -8.191 -20.538 3.572 719 HD3 LYS 96 HD3 LYS 96 -7.231 -21.693 2.622 720 HE2 LYS 96 HE2 LYS 96 -5.229 -21.204 3.846 721 HE3 LYS 96 HE3 LYS 96 -6.010 -19.864 4.680 722 HZ1 LYS 96 HZ1 LYS 96 -5.874 -21.769 6.118 723 HZ2 LYS 96 HZ2 LYS 96 -6.680 -22.738 4.990 724 HZ3 LYS 96 HZ3 LYS 96 -7.498 -21.461 5.743 725 HA PRO 97 HA PRO 97 -12.142 -17.135 4.971 726 HB2 PRO 97 HB2 PRO 97 -14.354 -18.283 3.332 727 HB3 PRO 97 HB3 PRO 97 -14.260 -16.725 4.154 728 HG2 PRO 97 HG2 PRO 97 -14.132 -16.876 1.488 729 HG3 PRO 97 HG3 PRO 97 -13.134 -15.712 2.381 730 HD2 PRO 97 HD2 PRO 97 -12.365 -18.396 1.254 731 HD3 PRO 97 HD3 PRO 97 -11.516 -16.840 1.095 732 HA PRO 98 HA PRO 98 -12.294 -21.445 7.003 733 HB2 PRO 98 HB2 PRO 98 -13.678 -20.257 9.363 734 HB3 PRO 98 HB3 PRO 98 -12.104 -21.045 9.283 735 HG2 PRO 98 HG2 PRO 98 -12.303 -18.395 9.677 736 HG3 PRO 98 HG3 PRO 98 -11.005 -19.068 8.677 737 HD2 PRO 98 HD2 PRO 98 -13.603 -17.815 7.807 738 HD3 PRO 98 HD3 PRO 98 -11.958 -17.484 7.221 739 H ALA 99 H ALA 99 -15.418 -19.566 6.892 740 HA ALA 99 HA ALA 99 -17.081 -21.992 6.928 741 HB1 ALA 99 HB1 ALA 99 -18.045 -19.168 7.618 742 HB2 ALA 99 HB2 ALA 99 -17.595 -20.387 8.809 743 HB3 ALA 99 HB3 ALA 99 -18.994 -20.650 7.769 744 H1 VAL 1 H1 VAL 1 3.508 3.585 19.197 745 H2 VAL 1 H2 VAL 1 3.847 2.760 20.630 746 H3 VAL 1 H3 VAL 1 2.645 2.182 19.594 747 HA VAL 1 HA VAL 1 4.843 0.929 19.505 748 HB VAL 1 HB VAL 1 4.310 2.189 16.688 749 HG11 VAL 1 HG11 VAL 1 4.729 -0.058 15.705 750 HG12 VAL 1 HG12 VAL 1 5.031 -0.703 17.311 751 HG13 VAL 1 HG13 VAL 1 6.107 0.509 16.644 752 HG21 VAL 1 HG21 VAL 1 2.525 -0.008 17.838 753 HG22 VAL 1 HG22 VAL 1 2.498 0.539 16.163 754 HG23 VAL 1 HG23 VAL 1 2.028 1.643 17.456 755 H VAL 2 H VAL 2 6.764 0.741 19.539 756 HA VAL 2 HA VAL 2 8.442 2.874 20.400 757 HB VAL 2 HB VAL 2 10.317 1.084 20.751 758 HG11 VAL 2 HG11 VAL 2 9.309 0.062 22.738 759 HG12 VAL 2 HG12 VAL 2 7.737 0.675 22.226 760 HG13 VAL 2 HG13 VAL 2 9.037 1.801 22.619 761 HG21 VAL 2 HG21 VAL 2 8.113 -0.965 20.071 762 HG22 VAL 2 HG22 VAL 2 9.640 -1.380 20.842 763 HG23 VAL 2 HG23 VAL 2 9.626 -0.762 19.194 764 H SER 3 H SER 3 8.239 1.708 17.104 765 HA SER 3 HA SER 3 10.826 2.938 16.227 766 HB2 SER 3 HB2 SER 3 11.328 0.927 14.701 767 HB3 SER 3 HB3 SER 3 11.526 0.627 16.416 768 HG SER 3 HG SER 3 9.279 -0.103 14.842 769 H GLU 4 H GLU 4 7.680 3.378 15.811 770 HA GLU 4 HA GLU 4 7.217 3.280 12.941 771 HB2 GLU 4 HB2 GLU 4 5.530 2.560 14.656 772 HB3 GLU 4 HB3 GLU 4 5.288 4.251 15.150 773 HG2 GLU 4 HG2 GLU 4 4.379 4.367 12.583 774 HG3 GLU 4 HG3 GLU 4 4.656 2.627 12.878 775 H ARG 5 H ARG 5 7.284 4.775 11.451 776 HA ARG 5 HA ARG 5 6.677 7.591 11.900 777 HB2 ARG 5 HB2 ARG 5 9.006 6.607 10.104 778 HB3 ARG 5 HB3 ARG 5 8.239 8.139 9.751 779 HG2 ARG 5 HG2 ARG 5 8.945 8.977 11.973 780 HG3 ARG 5 HG3 ARG 5 9.727 7.428 12.294 781 HD2 ARG 5 HD2 ARG 5 11.245 7.787 10.425 782 HD3 ARG 5 HD3 ARG 5 10.439 9.303 10.021 783 HE ARG 5 HE ARG 5 11.314 9.399 12.722 784 HH11 ARG 5 HH11 ARG 5 13.049 9.727 9.529 785 HH12 ARG 5 HH12 ARG 5 14.320 10.666 10.237 786 HH21 ARG 5 HH21 ARG 5 13.029 10.623 13.493 787 HH22 ARG 5 HH22 ARG 5 14.299 11.166 12.450 788 H ILE 6 H ILE 6 4.572 7.478 11.456 789 HA ILE 6 HA ILE 6 3.764 6.516 8.829 790 HB ILE 6 HB ILE 6 2.894 4.964 10.707 791 HG12 ILE 6 HG12 ILE 6 0.683 4.345 10.017 792 HG13 ILE 6 HG13 ILE 6 0.313 5.903 9.214 793 HG21 ILE 6 HG21 ILE 6 1.008 7.105 11.620 794 HG22 ILE 6 HG22 ILE 6 2.353 6.370 12.504 795 HG23 ILE 6 HG23 ILE 6 0.937 5.401 12.089 796 HD11 ILE 6 HD11 ILE 6 2.010 3.523 8.509 797 HD12 ILE 6 HD12 ILE 6 2.107 4.995 7.561 798 HD13 ILE 6 HD13 ILE 6 0.627 4.098 7.559 799 H SER 7 H SER 7 4.654 8.806 8.855 800 HA SER 7 HA SER 7 2.503 10.624 7.849 801 HB2 SER 7 HB2 SER 7 5.353 11.516 8.672 802 HB3 SER 7 HB3 SER 7 4.186 12.612 7.946 803 HG SER 7 HG SER 7 2.878 12.356 9.774 804 H SER 8 H SER 8 2.158 9.319 6.067 805 HA SER 8 HA SER 8 3.851 9.607 3.654 806 HB2 SER 8 HB2 SER 8 2.833 6.820 4.622 807 HB3 SER 8 HB3 SER 8 3.606 7.149 3.099 808 HG SER 8 HG SER 8 5.407 8.026 4.465 809 H VAL 9 H VAL 9 2.489 8.177 1.650 810 HA VAL 9 HA VAL 9 -0.302 9.233 1.450 811 HB VAL 9 HB VAL 9 1.408 8.671 -1.195 812 HG11 VAL 9 HG11 VAL 9 -0.807 10.664 -0.790 813 HG12 VAL 9 HG12 VAL 9 -0.937 9.083 -1.557 814 HG13 VAL 9 HG13 VAL 9 0.041 10.349 -2.304 815 HG21 VAL 9 HG21 VAL 9 1.445 11.442 0.106 816 HG22 VAL 9 HG22 VAL 9 2.105 11.041 -1.479 817 HG23 VAL 9 HG23 VAL 9 2.831 10.358 -0.026 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 -9.489 -32.315 -5.930 2 H2 GLY 1 H2 GLY 1 -8.856 -31.451 -7.239 3 H3 GLY 1 H3 GLY 1 -10.458 -31.992 -7.280 4 HA2 GLY 1 HA2 GLY 1 -10.391 -29.628 -6.820 5 HA3 GLY 1 HA3 GLY 1 -11.049 -30.523 -5.461 6 H ALA 2 H ALA 2 -8.445 -28.536 -6.674 7 HA ALA 2 HA ALA 2 -7.014 -28.398 -4.078 8 HB1 ALA 2 HB1 ALA 2 -5.586 -29.160 -6.003 9 HB2 ALA 2 HB2 ALA 2 -4.988 -27.652 -5.314 10 HB3 ALA 2 HB3 ALA 2 -5.897 -27.628 -6.824 11 H MET 3 H MET 3 -6.807 -26.554 -2.873 12 HA MET 3 HA MET 3 -8.018 -24.038 -3.819 13 HB2 MET 3 HB2 MET 3 -8.115 -25.246 -1.039 14 HB3 MET 3 HB3 MET 3 -8.191 -23.499 -1.176 15 HG2 MET 3 HG2 MET 3 -10.190 -23.637 -2.504 16 HG3 MET 3 HG3 MET 3 -10.078 -25.389 -2.575 17 HE1 MET 3 HE1 MET 3 -12.733 -23.809 -1.725 18 HE2 MET 3 HE2 MET 3 -13.261 -24.746 -0.327 19 HE3 MET 3 HE3 MET 3 -12.633 -25.570 -1.753 20 H GLU 4 H GLU 4 -7.096 -22.267 -4.110 21 HA GLU 4 HA GLU 4 -4.482 -21.604 -3.014 22 HB2 GLU 4 HB2 GLU 4 -3.828 -20.386 -5.221 23 HB3 GLU 4 HB3 GLU 4 -3.820 -22.132 -5.226 24 HG2 GLU 4 HG2 GLU 4 -5.944 -22.099 -6.496 25 HG3 GLU 4 HG3 GLU 4 -5.949 -20.339 -6.444 26 H MET 5 H MET 5 -3.750 -19.290 -2.971 27 HA MET 5 HA MET 5 -5.737 -17.614 -1.722 28 HB2 MET 5 HB2 MET 5 -3.839 -16.009 -1.038 29 HB3 MET 5 HB3 MET 5 -3.629 -17.643 -0.475 30 HG2 MET 5 HG2 MET 5 -2.020 -17.955 -2.350 31 HG3 MET 5 HG3 MET 5 -2.114 -16.248 -2.706 32 HE1 MET 5 HE1 MET 5 1.431 -16.560 -0.936 33 HE2 MET 5 HE2 MET 5 0.580 -16.044 -2.392 34 HE3 MET 5 HE3 MET 5 0.675 -17.757 -1.988 35 H GLU 6 H GLU 6 -5.893 -15.162 -1.958 36 HA GLU 6 HA GLU 6 -6.554 -14.587 -4.754 37 HB2 GLU 6 HB2 GLU 6 -8.889 -13.550 -4.154 38 HB3 GLU 6 HB3 GLU 6 -8.774 -15.284 -4.053 39 HG2 GLU 6 HG2 GLU 6 -8.713 -15.100 -1.534 40 HG3 GLU 6 HG3 GLU 6 -8.826 -13.354 -1.674 41 H TYR 7 H TYR 7 -5.981 -12.917 -5.753 42 HA TYR 7 HA TYR 7 -4.940 -10.528 -4.326 43 HB2 TYR 7 HB2 TYR 7 -4.114 -11.527 -7.129 44 HB3 TYR 7 HB3 TYR 7 -3.446 -10.146 -6.324 45 HD1 TYR 7 HD1 TYR 7 -3.452 -13.882 -6.302 46 HD2 TYR 7 HD2 TYR 7 -1.666 -10.354 -4.771 47 HE1 TYR 7 HE1 TYR 7 -1.612 -15.228 -5.512 48 HE2 TYR 7 HE2 TYR 7 0.297 -11.685 -3.974 49 HH TYR 7 HH TYR 7 0.760 -14.045 -3.335 50 H GLU 8 H GLU 8 -5.286 -8.416 -4.987 51 HA GLU 8 HA GLU 8 -7.352 -7.792 -7.042 52 HB2 GLU 8 HB2 GLU 8 -7.562 -7.079 -4.182 53 HB3 GLU 8 HB3 GLU 8 -7.715 -5.664 -5.202 54 HG2 GLU 8 HG2 GLU 8 -9.579 -6.860 -6.413 55 HG3 GLU 8 HG3 GLU 8 -9.426 -8.158 -5.227 56 H GLU 9 H GLU 9 -6.965 -6.337 -8.575 57 HA GLU 9 HA GLU 9 -4.864 -4.384 -8.196 58 HB2 GLU 9 HB2 GLU 9 -4.589 -4.162 -10.733 59 HB3 GLU 9 HB3 GLU 9 -4.163 -5.727 -10.067 60 HG2 GLU 9 HG2 GLU 9 -6.253 -6.727 -11.056 61 HG3 GLU 9 HG3 GLU 9 -6.706 -5.157 -11.697 62 H ILE 10 H ILE 10 -5.407 -2.362 -7.604 63 HA ILE 10 HA ILE 10 -7.944 -1.155 -8.593 64 HB ILE 10 HB ILE 10 -6.504 -0.639 -5.869 65 HG12 ILE 10 HG12 ILE 10 -9.394 -1.541 -5.745 66 HG13 ILE 10 HG13 ILE 10 -8.241 -2.728 -6.329 67 HG21 ILE 10 HG21 ILE 10 -9.050 0.911 -6.700 68 HG22 ILE 10 HG22 ILE 10 -7.432 1.550 -6.283 69 HG23 ILE 10 HG23 ILE 10 -8.419 0.837 -5.033 70 HD11 ILE 10 HD11 ILE 10 -8.465 -1.473 -3.592 71 HD12 ILE 10 HD12 ILE 10 -6.939 -2.135 -4.167 72 HD13 ILE 10 HD13 ILE 10 -8.366 -3.218 -4.021 73 H THR 11 H THR 11 -8.060 0.827 -9.585 74 HA THR 11 HA THR 11 -5.662 2.474 -9.936 75 HB THR 11 HB THR 11 -7.363 3.507 -11.923 76 HG1 THR 11 HG1 THR 11 -8.782 1.904 -12.081 77 HG21 THR 11 HG21 THR 11 -5.092 1.544 -12.333 78 HG22 THR 11 HG22 THR 11 -4.983 3.303 -12.206 79 HG23 THR 11 HG23 THR 11 -5.784 2.573 -13.601 80 H LEU 12 H LEU 12 -5.436 4.298 -9.075 81 HA LEU 12 HA LEU 12 -7.695 6.014 -8.237 82 HB2 LEU 12 HB2 LEU 12 -5.119 5.371 -6.749 83 HB3 LEU 12 HB3 LEU 12 -5.847 6.911 -6.447 84 HG LEU 12 HG LEU 12 -7.156 4.196 -5.744 85 HD11 LEU 12 HD11 LEU 12 -5.653 6.109 -4.052 86 HD12 LEU 12 HD12 LEU 12 -5.122 4.514 -4.583 87 HD13 LEU 12 HD13 LEU 12 -6.515 4.669 -3.511 88 HD21 LEU 12 HD21 LEU 12 -8.666 5.507 -4.298 89 HD22 LEU 12 HD22 LEU 12 -8.850 6.095 -5.944 90 HD23 LEU 12 HD23 LEU 12 -7.886 7.010 -4.788 91 H GLU 13 H GLU 13 -7.676 8.225 -8.551 92 HA GLU 13 HA GLU 13 -5.566 9.533 -10.208 93 HB2 GLU 13 HB2 GLU 13 -8.400 10.585 -9.508 94 HB3 GLU 13 HB3 GLU 13 -7.236 11.455 -10.492 95 HG2 GLU 13 HG2 GLU 13 -7.516 9.806 -12.261 96 HG3 GLU 13 HG3 GLU 13 -8.545 8.843 -11.213 97 H ARG 14 H ARG 14 -4.135 10.917 -9.410 98 HA ARG 14 HA ARG 14 -3.471 11.093 -6.653 99 HB2 ARG 14 HB2 ARG 14 -1.861 11.142 -8.736 100 HB3 ARG 14 HB3 ARG 14 -2.210 12.839 -8.871 101 HG2 ARG 14 HG2 ARG 14 -0.887 11.759 -6.342 102 HG3 ARG 14 HG3 ARG 14 0.070 11.984 -7.788 103 HD2 ARG 14 HD2 ARG 14 -1.482 14.225 -6.403 104 HD3 ARG 14 HD3 ARG 14 0.205 13.865 -6.064 105 HE ARG 14 HE ARG 14 -0.115 14.341 -8.859 106 HH11 ARG 14 HH11 ARG 14 0.005 16.514 -5.939 107 HH12 ARG 14 HH12 ARG 14 0.502 17.879 -6.881 108 HH21 ARG 14 HH21 ARG 14 0.530 16.189 -9.954 109 HH22 ARG 14 HH22 ARG 14 0.793 17.688 -9.127 110 H GLY 15 H GLY 15 -4.361 12.061 -5.069 111 HA2 GLY 15 HA2 GLY 15 -6.326 14.202 -5.224 112 HA3 GLY 15 HA3 GLY 15 -5.844 13.362 -3.780 113 H ASN 16 H ASN 16 -6.605 16.147 -4.224 114 HA ASN 16 HA ASN 16 -4.325 17.932 -3.796 115 HB2 ASN 16 HB2 ASN 16 -7.334 18.532 -3.929 116 HB3 ASN 16 HB3 ASN 16 -6.179 19.773 -3.514 117 HD21 ASN 16 HD21 ASN 16 -6.666 21.083 -5.234 118 HD22 ASN 16 HD22 ASN 16 -6.328 20.712 -6.887 119 H SER 17 H SER 17 -6.668 16.338 -1.643 120 HA SER 17 HA SER 17 -5.772 17.613 0.847 121 HB2 SER 17 HB2 SER 17 -7.865 15.419 0.360 122 HB3 SER 17 HB3 SER 17 -7.467 16.031 1.961 123 HG SER 17 HG SER 17 -9.022 17.140 -0.017 124 H GLY 18 H GLY 18 -4.971 14.586 -0.992 125 HA2 GLY 18 HA2 GLY 18 -2.665 13.782 -0.762 126 HA3 GLY 18 HA3 GLY 18 -2.882 13.843 0.975 127 H LEU 19 H LEU 19 -4.840 12.521 -1.763 128 HA LEU 19 HA LEU 19 -5.942 10.737 -2.278 129 HB2 LEU 19 HB2 LEU 19 -3.309 9.599 -1.729 130 HB3 LEU 19 HB3 LEU 19 -4.542 8.317 -1.642 131 HG LEU 19 HG LEU 19 -3.561 8.121 -3.562 132 HD11 LEU 19 HD11 LEU 19 -5.579 8.037 -4.265 133 HD12 LEU 19 HD12 LEU 19 -4.706 8.884 -5.566 134 HD13 LEU 19 HD13 LEU 19 -5.777 9.785 -4.461 135 HD21 LEU 19 HD21 LEU 19 -2.047 9.767 -3.327 136 HD22 LEU 19 HD22 LEU 19 -3.117 11.021 -4.026 137 HD23 LEU 19 HD23 LEU 19 -2.522 9.648 -5.031 138 H GLY 20 H GLY 20 -5.411 10.382 1.156 139 HA2 GLY 20 HA2 GLY 20 -7.342 10.311 2.681 140 HA3 GLY 20 HA3 GLY 20 -8.186 9.339 1.501 141 H PHE 21 H PHE 21 -4.774 8.525 2.355 142 HA PHE 21 HA PHE 21 -5.267 6.705 4.470 143 HB2 PHE 21 HB2 PHE 21 -4.530 4.572 3.367 144 HB3 PHE 21 HB3 PHE 21 -5.867 5.205 2.503 145 HD1 PHE 21 HD1 PHE 21 -5.331 6.404 0.091 146 HD2 PHE 21 HD2 PHE 21 -2.594 3.820 2.129 147 HE1 PHE 21 HE1 PHE 21 -4.158 5.959 -2.084 148 HE2 PHE 21 HE2 PHE 21 -1.439 3.373 -0.047 149 HZ PHE 21 HZ PHE 21 -2.223 4.449 -2.109 150 H SER 22 H SER 22 -2.828 5.718 5.375 151 HA SER 22 HA SER 22 -0.544 6.959 4.047 152 HB2 SER 22 HB2 SER 22 -0.805 6.891 7.112 153 HB3 SER 22 HB3 SER 22 0.630 7.313 6.157 154 HG SER 22 HG SER 22 -1.042 9.026 7.030 155 H ILE 23 H ILE 23 1.480 5.795 4.025 156 HA ILE 23 HA ILE 23 1.349 2.966 4.795 157 HB ILE 23 HB ILE 23 2.623 2.238 2.693 158 HG12 ILE 23 HG12 ILE 23 1.693 3.244 0.471 159 HG13 ILE 23 HG13 ILE 23 1.075 4.589 1.404 160 HG21 ILE 23 HG21 ILE 23 -0.237 2.879 2.588 161 HG22 ILE 23 HG22 ILE 23 0.537 1.762 3.650 162 HG23 ILE 23 HG23 ILE 23 0.511 1.393 1.861 163 HD11 ILE 23 HD11 ILE 23 2.991 5.340 0.146 164 HD12 ILE 23 HD12 ILE 23 3.989 3.993 0.696 165 HD13 ILE 23 HD13 ILE 23 3.502 5.261 1.830 166 H ALA 24 H ALA 24 2.683 1.677 5.532 167 HA ALA 24 HA ALA 24 5.311 2.788 6.344 168 HB1 ALA 24 HB1 ALA 24 3.726 0.526 7.688 169 HB2 ALA 24 HB2 ALA 24 3.823 2.174 8.275 170 HB3 ALA 24 HB3 ALA 24 5.257 1.150 8.260 171 H GLY 25 H GLY 25 7.073 2.179 5.430 172 HA2 GLY 25 HA2 GLY 25 7.597 -0.544 4.356 173 HA3 GLY 25 HA3 GLY 25 7.888 0.859 3.343 174 H GLY 26 H GLY 26 9.918 -1.040 3.925 175 HA2 GLY 26 HA2 GLY 26 12.069 0.545 4.910 176 HA3 GLY 26 HA3 GLY 26 11.469 -0.334 6.276 177 H THR 27 H THR 27 13.703 -0.165 3.816 178 HA THR 27 HA THR 27 14.754 -2.778 4.606 179 HB THR 27 HB THR 27 16.771 -2.276 2.914 180 HG1 THR 27 HG1 THR 27 16.426 -0.979 1.242 181 HG21 THR 27 HG21 THR 27 15.584 -3.399 1.037 182 HG22 THR 27 HG22 THR 27 14.061 -3.138 1.892 183 HG23 THR 27 HG23 THR 27 15.310 -4.160 2.605 184 H ASP 28 H ASP 28 15.613 0.650 4.935 185 HA ASP 28 HA ASP 28 17.887 -0.009 6.677 186 HB2 ASP 28 HB2 ASP 28 17.431 2.601 5.119 187 HB3 ASP 28 HB3 ASP 28 18.602 2.526 6.418 188 H ASN 29 H ASN 29 14.775 1.752 6.682 189 HA ASN 29 HA ASN 29 14.995 2.605 9.474 190 HB2 ASN 29 HB2 ASN 29 13.281 3.812 7.217 191 HB3 ASN 29 HB3 ASN 29 12.879 4.138 8.889 192 HD21 ASN 29 HD21 ASN 29 14.238 5.558 10.083 193 HD22 ASN 29 HD22 ASN 29 15.429 6.554 9.326 194 HA PRO 30 HA PRO 30 11.992 -0.826 10.806 195 HB2 PRO 30 HB2 PRO 30 11.941 0.287 13.535 196 HB3 PRO 30 HB3 PRO 30 12.481 -1.288 12.984 197 HG2 PRO 30 HG2 PRO 30 14.285 0.583 13.833 198 HG3 PRO 30 HG3 PRO 30 14.671 -0.644 12.619 199 HD2 PRO 30 HD2 PRO 30 14.088 2.291 12.204 200 HD3 PRO 30 HD3 PRO 30 15.207 1.212 11.370 201 H HIS 31 H HIS 31 9.828 -1.221 11.273 202 HA HIS 31 HA HIS 31 7.883 0.954 11.482 203 HB2 HIS 31 HB2 HIS 31 7.411 -0.118 9.387 204 HB3 HIS 31 HB3 HIS 31 7.921 -1.681 9.949 205 HD1 HIS 31 HD1 HIS 31 4.806 0.499 10.849 206 HD2 HIS 31 HD2 HIS 31 5.812 -3.353 9.686 207 HE1 HIS 31 HE1 HIS 31 2.626 -0.773 10.784 208 HE2 HIS 31 HE2 HIS 31 3.269 -3.111 10.124 209 H ILE 32 H ILE 32 8.644 -2.244 13.017 210 HA ILE 32 HA ILE 32 6.679 -1.887 15.176 211 HB ILE 32 HB ILE 32 5.769 -4.388 15.016 212 HG12 ILE 32 HG12 ILE 32 5.419 -5.214 12.517 213 HG13 ILE 32 HG13 ILE 32 6.833 -4.264 12.145 214 HG21 ILE 32 HG21 ILE 32 5.055 -2.525 12.913 215 HG22 ILE 32 HG22 ILE 32 4.332 -2.567 14.549 216 HG23 ILE 32 HG23 ILE 32 4.024 -3.887 13.349 217 HD11 ILE 32 HD11 ILE 32 8.119 -5.657 13.634 218 HD12 ILE 32 HD12 ILE 32 7.338 -6.524 12.266 219 HD13 ILE 32 HD13 ILE 32 6.670 -6.664 13.933 220 H GLY 33 H GLY 33 9.127 -4.029 14.121 221 HA2 GLY 33 HA2 GLY 33 10.809 -3.966 16.470 222 HA3 GLY 33 HA3 GLY 33 10.049 -5.557 16.221 223 H ASP 34 H ASP 34 11.021 -3.348 13.656 224 HA ASP 34 HA ASP 34 12.456 -3.140 11.990 225 HB2 ASP 34 HB2 ASP 34 14.511 -3.526 13.627 226 HB3 ASP 34 HB3 ASP 34 14.500 -5.213 13.179 227 H ASP 35 H ASP 35 10.760 -3.653 10.952 228 HA ASP 35 HA ASP 35 10.351 -6.290 9.681 229 HB2 ASP 35 HB2 ASP 35 8.429 -4.996 10.772 230 HB3 ASP 35 HB3 ASP 35 8.400 -3.868 9.459 231 HA PRO 36 HA PRO 36 12.212 -5.187 5.434 232 HB2 PRO 36 HB2 PRO 36 11.586 -7.913 4.464 233 HB3 PRO 36 HB3 PRO 36 13.160 -7.168 4.730 234 HG2 PRO 36 HG2 PRO 36 12.249 -9.177 6.297 235 HG3 PRO 36 HG3 PRO 36 13.261 -7.874 6.946 236 HD2 PRO 36 HD2 PRO 36 10.265 -8.184 7.075 237 HD3 PRO 36 HD3 PRO 36 11.400 -7.791 8.387 238 H SER 37 H SER 37 8.846 -6.537 5.557 239 HA SER 37 HA SER 37 8.083 -5.871 2.780 240 HB2 SER 37 HB2 SER 37 6.581 -7.436 4.948 241 HB3 SER 37 HB3 SER 37 5.900 -7.110 3.358 242 HG SER 37 HG SER 37 7.045 -9.205 3.717 243 H ILE 38 H ILE 38 6.107 -4.606 2.110 244 HA ILE 38 HA ILE 38 5.593 -2.276 3.825 245 HB ILE 38 HB ILE 38 4.581 -2.282 0.893 246 HG12 ILE 38 HG12 ILE 38 6.779 -2.300 -0.303 247 HG13 ILE 38 HG13 ILE 38 6.833 -0.766 0.304 248 HG21 ILE 38 HG21 ILE 38 5.392 0.131 2.461 249 HG22 ILE 38 HG22 ILE 38 3.779 -0.379 1.969 250 HG23 ILE 38 HG23 ILE 38 4.937 0.158 0.754 251 HD11 ILE 38 HD11 ILE 38 8.999 -1.959 0.601 252 HD12 ILE 38 HD12 ILE 38 8.266 -2.888 1.895 253 HD13 ILE 38 HD13 ILE 38 8.397 -1.133 2.044 254 H PHE 39 H PHE 39 3.769 -1.901 4.995 255 HA PHE 39 HA PHE 39 1.229 -3.413 4.633 256 HB2 PHE 39 HB2 PHE 39 2.636 -2.737 7.303 257 HB3 PHE 39 HB3 PHE 39 0.969 -3.205 7.239 258 HD1 PHE 39 HD1 PHE 39 0.721 -5.830 6.120 259 HD2 PHE 39 HD2 PHE 39 4.148 -4.220 8.106 260 HE1 PHE 39 HE1 PHE 39 1.440 -8.106 6.745 261 HE2 PHE 39 HE2 PHE 39 4.838 -6.468 8.765 262 HZ PHE 39 HZ PHE 39 3.492 -8.433 8.068 263 H ILE 40 H ILE 40 -0.897 -2.289 5.194 264 HA ILE 40 HA ILE 40 -0.904 0.595 5.562 265 HB ILE 40 HB ILE 40 -3.503 -0.978 5.736 266 HG12 ILE 40 HG12 ILE 40 -2.637 -2.153 3.663 267 HG13 ILE 40 HG13 ILE 40 -4.020 -1.188 3.245 268 HG21 ILE 40 HG21 ILE 40 -4.642 0.803 4.519 269 HG22 ILE 40 HG22 ILE 40 -3.134 1.725 4.450 270 HG23 ILE 40 HG23 ILE 40 -3.870 1.342 6.013 271 HD11 ILE 40 HD11 ILE 40 -2.357 -1.051 1.439 272 HD12 ILE 40 HD12 ILE 40 -1.133 -0.600 2.713 273 HD13 ILE 40 HD13 ILE 40 -2.429 0.499 2.375 274 H THR 41 H THR 41 -1.726 1.633 7.253 275 HA THR 41 HA THR 41 -2.550 0.486 9.805 276 HB THR 41 HB THR 41 -0.891 1.939 11.291 277 HG1 THR 41 HG1 THR 41 0.561 1.928 8.895 278 HG21 THR 41 HG21 THR 41 0.840 0.218 11.474 279 HG22 THR 41 HG22 THR 41 0.375 -0.441 9.927 280 HG23 THR 41 HG23 THR 41 -0.748 -0.553 11.301 281 H LYS 42 H LYS 42 -2.352 3.463 7.755 282 HA LYS 42 HA LYS 42 -4.382 4.626 9.470 283 HB2 LYS 42 HB2 LYS 42 -2.361 6.006 9.809 284 HB3 LYS 42 HB3 LYS 42 -2.042 6.091 8.118 285 HG2 LYS 42 HG2 LYS 42 -2.626 8.334 9.112 286 HG3 LYS 42 HG3 LYS 42 -3.739 7.876 7.840 287 HD2 LYS 42 HD2 LYS 42 -5.429 7.481 9.287 288 HD3 LYS 42 HD3 LYS 42 -4.416 7.441 10.754 289 HE2 LYS 42 HE2 LYS 42 -3.924 9.830 10.345 290 HE3 LYS 42 HE3 LYS 42 -5.046 9.818 8.981 291 HZ1 LYS 42 HZ1 LYS 42 -6.843 9.259 10.539 292 HZ2 LYS 42 HZ2 LYS 42 -6.120 10.728 10.960 293 HZ3 LYS 42 HZ3 LYS 42 -5.756 9.328 11.835 294 H ILE 43 H ILE 43 -6.301 4.964 8.771 295 HA ILE 43 HA ILE 43 -6.842 5.501 5.999 296 HB ILE 43 HB ILE 43 -8.584 3.628 7.790 297 HG12 ILE 43 HG12 ILE 43 -6.895 2.140 6.775 298 HG13 ILE 43 HG13 ILE 43 -8.369 1.739 6.039 299 HG21 ILE 43 HG21 ILE 43 -9.663 4.539 5.141 300 HG22 ILE 43 HG22 ILE 43 -10.326 4.823 6.751 301 HG23 ILE 43 HG23 ILE 43 -10.355 3.183 6.067 302 HD11 ILE 43 HD11 ILE 43 -6.567 1.674 4.340 303 HD12 ILE 43 HD12 ILE 43 -6.067 3.290 4.759 304 HD13 ILE 43 HD13 ILE 43 -7.593 3.069 3.908 305 H ILE 44 H ILE 44 -7.743 7.473 5.709 306 HA ILE 44 HA ILE 44 -8.920 9.125 7.776 307 HB ILE 44 HB ILE 44 -8.227 9.765 4.778 308 HG12 ILE 44 HG12 ILE 44 -6.637 11.570 5.693 309 HG13 ILE 44 HG13 ILE 44 -6.914 10.876 7.299 310 HG21 ILE 44 HG21 ILE 44 -9.398 11.922 6.539 311 HG22 ILE 44 HG22 ILE 44 -10.117 11.202 5.089 312 HG23 ILE 44 HG23 ILE 44 -8.644 12.171 4.950 313 HD11 ILE 44 HD11 ILE 44 -5.656 9.595 4.909 314 HD12 ILE 44 HD12 ILE 44 -5.943 8.826 6.462 315 HD13 ILE 44 HD13 ILE 44 -4.767 10.177 6.355 316 HA PRO 45 HA PRO 45 -13.453 7.893 7.317 317 HB2 PRO 45 HB2 PRO 45 -14.183 10.447 8.717 318 HB3 PRO 45 HB3 PRO 45 -14.558 8.784 9.170 319 HG2 PRO 45 HG2 PRO 45 -12.741 10.149 10.547 320 HG3 PRO 45 HG3 PRO 45 -12.448 8.446 10.149 321 HD2 PRO 45 HD2 PRO 45 -11.366 10.910 8.769 322 HD3 PRO 45 HD3 PRO 45 -10.475 9.478 9.303 323 H GLY 46 H GLY 46 -12.470 11.071 5.998 324 HA2 GLY 46 HA2 GLY 46 -14.697 11.117 4.024 325 HA3 GLY 46 HA3 GLY 46 -14.135 12.580 4.794 326 H GLY 47 H GLY 47 -11.887 9.952 3.525 327 HA2 GLY 47 HA2 GLY 47 -10.690 11.720 1.511 328 HA3 GLY 47 HA3 GLY 47 -10.072 10.179 2.052 329 H ALA 48 H ALA 48 -9.665 10.322 -0.446 330 HA ALA 48 HA ALA 48 -11.784 9.724 -2.317 331 HB1 ALA 48 HB1 ALA 48 -8.795 9.994 -2.904 332 HB2 ALA 48 HB2 ALA 48 -9.889 11.337 -2.850 333 HB3 ALA 48 HB3 ALA 48 -10.103 10.091 -4.089 334 H ALA 49 H ALA 49 -9.136 7.694 -0.851 335 HA ALA 49 HA ALA 49 -9.649 5.274 -2.411 336 HB1 ALA 49 HB1 ALA 49 -7.834 4.235 -1.174 337 HB2 ALA 49 HB2 ALA 49 -7.802 5.578 -0.023 338 HB3 ALA 49 HB3 ALA 49 -7.368 5.838 -1.718 339 H ALA 50 H ALA 50 -10.887 6.430 0.681 340 HA ALA 50 HA ALA 50 -11.925 3.919 1.719 341 HB1 ALA 50 HB1 ALA 50 -12.331 6.744 2.828 342 HB2 ALA 50 HB2 ALA 50 -11.009 5.685 3.271 343 HB3 ALA 50 HB3 ALA 50 -12.661 5.241 3.691 344 H GLN 51 H GLN 51 -13.447 6.941 0.232 345 HA GLN 51 HA GLN 51 -16.114 5.813 0.067 346 HB2 GLN 51 HB2 GLN 51 -15.160 8.608 -0.729 347 HB3 GLN 51 HB3 GLN 51 -16.832 8.099 -0.827 348 HG2 GLN 51 HG2 GLN 51 -16.606 7.697 1.752 349 HG3 GLN 51 HG3 GLN 51 -15.150 8.614 1.623 350 HE21 GLN 51 HE21 GLN 51 -15.172 10.872 1.375 351 HE22 GLN 51 HE22 GLN 51 -16.610 11.824 1.486 352 H ASP 52 H ASP 52 -13.760 7.117 -2.587 353 HA ASP 52 HA ASP 52 -15.503 6.180 -4.715 354 HB2 ASP 52 HB2 ASP 52 -13.244 8.144 -4.568 355 HB3 ASP 52 HB3 ASP 52 -13.632 7.473 -6.124 356 H GLY 53 H GLY 53 -12.297 5.127 -3.470 357 HA2 GLY 53 HA2 GLY 53 -11.410 3.677 -5.894 358 HA3 GLY 53 HA3 GLY 53 -10.492 3.882 -4.428 359 H ARG 54 H ARG 54 -12.080 2.627 -2.482 360 HA ARG 54 HA ARG 54 -12.746 0.943 -1.418 361 HB2 ARG 54 HB2 ARG 54 -13.434 -0.415 -3.993 362 HB3 ARG 54 HB3 ARG 54 -13.532 -1.384 -2.530 363 HG2 ARG 54 HG2 ARG 54 -15.214 0.334 -1.632 364 HG3 ARG 54 HG3 ARG 54 -15.158 1.130 -3.196 365 HD2 ARG 54 HD2 ARG 54 -16.028 -1.756 -2.848 366 HD3 ARG 54 HD3 ARG 54 -17.154 -0.414 -2.741 367 HE ARG 54 HE ARG 54 -15.795 -0.239 -5.230 368 HH11 ARG 54 HH11 ARG 54 -18.372 -2.489 -3.979 369 HH12 ARG 54 HH12 ARG 54 -18.946 -2.843 -5.574 370 HH21 ARG 54 HH21 ARG 54 -16.644 -0.787 -7.237 371 HH22 ARG 54 HH22 ARG 54 -17.972 -1.888 -7.388 372 H LEU 55 H LEU 55 -10.490 1.410 -0.881 373 HA LEU 55 HA LEU 55 -9.104 -1.094 -0.286 374 HB2 LEU 55 HB2 LEU 55 -7.699 0.443 -1.441 375 HB3 LEU 55 HB3 LEU 55 -8.181 1.825 -0.492 376 HG LEU 55 HG LEU 55 -6.702 0.230 1.324 377 HD11 LEU 55 HD11 LEU 55 -5.975 -1.280 -0.444 378 HD12 LEU 55 HD12 LEU 55 -4.638 -0.318 0.211 379 HD13 LEU 55 HD13 LEU 55 -5.347 0.106 -1.343 380 HD21 LEU 55 HD21 LEU 55 -5.115 2.026 1.087 381 HD22 LEU 55 HD22 LEU 55 -6.804 2.607 0.874 382 HD23 LEU 55 HD23 LEU 55 -5.787 2.367 -0.523 383 H ARG 56 H ARG 56 -9.069 -1.921 1.666 384 HA ARG 56 HA ARG 56 -9.697 -0.445 4.140 385 HB2 ARG 56 HB2 ARG 56 -10.188 -3.446 3.521 386 HB3 ARG 56 HB3 ARG 56 -10.140 -2.899 5.169 387 HG2 ARG 56 HG2 ARG 56 -12.078 -1.472 4.710 388 HG3 ARG 56 HG3 ARG 56 -12.129 -2.138 3.064 389 HD2 ARG 56 HD2 ARG 56 -12.251 -4.339 3.918 390 HD3 ARG 56 HD3 ARG 56 -12.053 -3.703 5.552 391 HE ARG 56 HE ARG 56 -14.375 -2.513 4.416 392 HH11 ARG 56 HH11 ARG 56 -13.784 -5.885 5.672 393 HH12 ARG 56 HH12 ARG 56 -15.469 -6.152 5.976 394 HH21 ARG 56 HH21 ARG 56 -16.526 -2.998 4.864 395 HH22 ARG 56 HH22 ARG 56 -16.994 -4.531 5.520 396 H VAL 57 H VAL 57 -8.406 -0.888 6.127 397 HA VAL 57 HA VAL 57 -5.581 -0.768 5.925 398 HB VAL 57 HB VAL 57 -7.385 0.056 7.556 399 HG11 VAL 57 HG11 VAL 57 -8.450 -1.024 8.743 400 HG12 VAL 57 HG12 VAL 57 -7.093 -0.852 9.937 401 HG13 VAL 57 HG13 VAL 57 -7.266 -2.346 8.930 402 HG21 VAL 57 HG21 VAL 57 -5.647 1.134 7.701 403 HG22 VAL 57 HG22 VAL 57 -4.589 -0.195 8.250 404 HG23 VAL 57 HG23 VAL 57 -5.726 0.602 9.398 405 H ASN 58 H ASN 58 -7.477 -3.586 6.288 406 HA ASN 58 HA ASN 58 -5.386 -5.439 6.974 407 HB2 ASN 58 HB2 ASN 58 -7.703 -5.287 8.059 408 HB3 ASN 58 HB3 ASN 58 -8.396 -5.975 6.611 409 HD21 ASN 58 HD21 ASN 58 -6.646 -6.652 9.557 410 HD22 ASN 58 HD22 ASN 58 -6.670 -8.376 9.461 411 H ASP 59 H ASP 59 -5.953 -3.947 3.912 412 HA ASP 59 HA ASP 59 -6.128 -6.330 2.226 413 HB2 ASP 59 HB2 ASP 59 -6.416 -3.409 1.623 414 HB3 ASP 59 HB3 ASP 59 -5.859 -4.419 0.300 415 H SER 60 H SER 60 -3.432 -4.174 3.180 416 HA SER 60 HA SER 60 -1.197 -3.961 2.737 417 HB2 SER 60 HB2 SER 60 -1.294 -5.892 4.389 418 HB3 SER 60 HB3 SER 60 -1.252 -7.016 3.039 419 HG SER 60 HG SER 60 0.814 -5.686 4.292 420 H ILE 61 H ILE 61 0.228 -3.379 1.203 421 HA ILE 61 HA ILE 61 -0.151 -4.274 -1.568 422 HB ILE 61 HB ILE 61 1.681 -1.867 -0.650 423 HG12 ILE 61 HG12 ILE 61 -1.068 -1.441 -2.028 424 HG13 ILE 61 HG13 ILE 61 -0.978 -1.657 -0.297 425 HG21 ILE 61 HG21 ILE 61 1.693 -1.027 -3.048 426 HG22 ILE 61 HG22 ILE 61 0.785 -2.454 -3.543 427 HG23 ILE 61 HG23 ILE 61 2.412 -2.639 -2.926 428 HD11 ILE 61 HD11 ILE 61 -1.264 0.726 -0.907 429 HD12 ILE 61 HD12 ILE 61 0.214 0.677 -1.866 430 HD13 ILE 61 HD13 ILE 61 0.301 0.492 -0.113 431 H LEU 62 H LEU 62 1.069 -5.706 -2.825 432 HA LEU 62 HA LEU 62 3.858 -6.348 -2.060 433 HB2 LEU 62 HB2 LEU 62 3.762 -8.275 -3.610 434 HB3 LEU 62 HB3 LEU 62 2.532 -8.441 -2.362 435 HG LEU 62 HG LEU 62 1.787 -7.607 -5.195 436 HD11 LEU 62 HD11 LEU 62 3.018 -9.631 -5.374 437 HD12 LEU 62 HD12 LEU 62 1.272 -9.938 -5.583 438 HD13 LEU 62 HD13 LEU 62 2.069 -10.344 -4.056 439 HD21 LEU 62 HD21 LEU 62 0.243 -9.074 -3.045 440 HD22 LEU 62 HD22 LEU 62 -0.364 -8.618 -4.637 441 HD23 LEU 62 HD23 LEU 62 0.043 -7.371 -3.458 442 H PHE 63 H PHE 63 2.008 -5.035 -4.827 443 HA PHE 63 HA PHE 63 4.540 -3.964 -5.985 444 HB2 PHE 63 HB2 PHE 63 2.444 -5.539 -7.587 445 HB3 PHE 63 HB3 PHE 63 3.548 -4.444 -8.399 446 HD1 PHE 63 HD1 PHE 63 3.433 -7.559 -6.313 447 HD2 PHE 63 HD2 PHE 63 5.743 -5.185 -8.951 448 HE1 PHE 63 HE1 PHE 63 4.976 -9.384 -6.486 449 HE2 PHE 63 HE2 PHE 63 7.388 -6.905 -9.139 450 HZ PHE 63 HZ PHE 63 7.056 -9.127 -7.934 451 H VAL 64 H VAL 64 4.512 -1.776 -6.818 452 HA VAL 64 HA VAL 64 1.964 -0.631 -7.425 453 HB VAL 64 HB VAL 64 2.778 1.653 -6.910 454 HG11 VAL 64 HG11 VAL 64 0.875 0.943 -5.877 455 HG12 VAL 64 HG12 VAL 64 1.772 1.735 -4.572 456 HG13 VAL 64 HG13 VAL 64 1.729 -0.041 -4.685 457 HG21 VAL 64 HG21 VAL 64 4.977 1.647 -6.050 458 HG22 VAL 64 HG22 VAL 64 4.614 0.436 -4.807 459 HG23 VAL 64 HG23 VAL 64 4.003 2.094 -4.657 460 H ASN 65 H ASN 65 1.624 0.814 -9.069 461 HA ASN 65 HA ASN 65 1.757 1.652 -10.987 462 HB2 ASN 65 HB2 ASN 65 4.796 1.902 -10.545 463 HB3 ASN 65 HB3 ASN 65 4.279 2.309 -12.153 464 HD21 ASN 65 HD21 ASN 65 4.315 3.208 -8.827 465 HD22 ASN 65 HD22 ASN 65 3.706 4.814 -9.004 466 H GLU 66 H GLU 66 2.631 -1.462 -10.636 467 HA GLU 66 HA GLU 66 3.088 -3.416 -11.507 468 HB2 GLU 66 HB2 GLU 66 3.537 -2.195 -14.358 469 HB3 GLU 66 HB3 GLU 66 3.795 -3.893 -14.053 470 HG2 GLU 66 HG2 GLU 66 1.086 -2.538 -13.694 471 HG3 GLU 66 HG3 GLU 66 1.602 -3.222 -15.219 472 H VAL 67 H VAL 67 5.150 -1.278 -10.395 473 HA VAL 67 HA VAL 67 7.607 -2.694 -10.814 474 HB VAL 67 HB VAL 67 8.859 -0.890 -9.803 475 HG11 VAL 67 HG11 VAL 67 8.771 -0.932 -11.994 476 HG12 VAL 67 HG12 VAL 67 8.913 0.781 -11.491 477 HG13 VAL 67 HG13 VAL 67 7.348 0.138 -12.102 478 HG21 VAL 67 HG21 VAL 67 6.438 1.011 -9.620 479 HG22 VAL 67 HG22 VAL 67 8.153 1.430 -9.238 480 HG23 VAL 67 HG23 VAL 67 7.319 0.173 -8.306 481 H ASP 68 H ASP 68 9.130 -2.988 -9.204 482 HA ASP 68 HA ASP 68 7.884 -4.516 -7.285 483 HB2 ASP 68 HB2 ASP 68 10.105 -5.937 -6.964 484 HB3 ASP 68 HB3 ASP 68 9.268 -6.062 -8.490 485 H VAL 69 H VAL 69 7.436 -3.851 -5.401 486 HA VAL 69 HA VAL 69 9.364 -2.371 -3.809 487 HB VAL 69 HB VAL 69 7.666 -1.403 -2.301 488 HG11 VAL 69 HG11 VAL 69 8.326 -0.030 -3.867 489 HG12 VAL 69 HG12 VAL 69 6.612 0.180 -3.558 490 HG13 VAL 69 HG13 VAL 69 7.160 -0.587 -5.106 491 HG21 VAL 69 HG21 VAL 69 5.826 -2.619 -2.038 492 HG22 VAL 69 HG22 VAL 69 5.543 -2.939 -3.777 493 HG23 VAL 69 HG23 VAL 69 5.130 -1.353 -3.075 494 H ARG 70 H ARG 70 8.650 -5.452 -3.926 495 HA ARG 70 HA ARG 70 8.396 -6.739 -1.450 496 HB2 ARG 70 HB2 ARG 70 9.987 -7.616 -3.888 497 HB3 ARG 70 HB3 ARG 70 9.921 -8.637 -2.471 498 HG2 ARG 70 HG2 ARG 70 7.466 -8.861 -2.735 499 HG3 ARG 70 HG3 ARG 70 7.505 -7.762 -4.106 500 HD2 ARG 70 HD2 ARG 70 7.342 -9.966 -5.020 501 HD3 ARG 70 HD3 ARG 70 9.001 -9.458 -5.281 502 HE ARG 70 HE ARG 70 8.817 -10.998 -2.867 503 HH11 ARG 70 HH11 ARG 70 8.897 -11.821 -6.414 504 HH12 ARG 70 HH12 ARG 70 9.489 -13.420 -6.109 505 HH21 ARG 70 HH21 ARG 70 9.590 -13.097 -2.620 506 HH22 ARG 70 HH22 ARG 70 9.872 -14.123 -3.986 507 H GLU 71 H GLU 71 11.460 -4.979 -2.356 508 HA GLU 71 HA GLU 71 12.611 -5.078 0.185 509 HB2 GLU 71 HB2 GLU 71 13.885 -6.566 -2.101 510 HB3 GLU 71 HB3 GLU 71 14.955 -5.580 -1.128 511 HG2 GLU 71 HG2 GLU 71 14.300 -6.990 0.882 512 HG3 GLU 71 HG3 GLU 71 13.246 -7.939 -0.158 513 H VAL 72 H VAL 72 11.936 -2.908 0.112 514 HA VAL 72 HA VAL 72 13.790 -0.999 -1.053 515 HB VAL 72 HB VAL 72 12.251 0.589 -2.062 516 HG11 VAL 72 HG11 VAL 72 12.760 -0.860 -3.713 517 HG12 VAL 72 HG12 VAL 72 11.099 -0.302 -3.952 518 HG13 VAL 72 HG13 VAL 72 11.392 -1.919 -3.323 519 HG21 VAL 72 HG21 VAL 72 9.696 -0.876 -1.205 520 HG22 VAL 72 HG22 VAL 72 9.721 0.570 -2.249 521 HG23 VAL 72 HG23 VAL 72 10.292 0.674 -0.599 522 H THR 73 H THR 73 13.712 1.243 -0.071 523 HA THR 73 HA THR 73 13.049 1.464 2.789 524 HB THR 73 HB THR 73 13.693 4.031 2.350 525 HG1 THR 73 HG1 THR 73 13.945 4.369 0.298 526 HG21 THR 73 HG21 THR 73 16.092 3.630 2.602 527 HG22 THR 73 HG22 THR 73 15.826 1.901 2.276 528 HG23 THR 73 HG23 THR 73 15.091 2.678 3.700 529 H HIS 74 H HIS 74 11.697 3.370 3.725 530 HA HIS 74 HA HIS 74 8.977 3.454 2.824 531 HB2 HIS 74 HB2 HIS 74 8.381 5.149 4.612 532 HB3 HIS 74 HB3 HIS 74 9.479 3.934 5.230 533 HD1 HIS 74 HD1 HIS 74 11.991 4.883 5.874 534 HD2 HIS 74 HD2 HIS 74 9.181 7.814 4.945 535 HE1 HIS 74 HE1 HIS 74 12.967 7.065 6.710 536 HE2 HIS 74 HE2 HIS 74 11.201 8.789 6.232 537 H SER 75 H SER 75 11.299 6.090 2.398 538 HA SER 75 HA SER 75 9.795 7.975 0.812 539 HB2 SER 75 HB2 SER 75 11.901 8.576 2.068 540 HB3 SER 75 HB3 SER 75 12.858 7.703 0.873 541 HG SER 75 HG SER 75 11.168 9.711 -0.091 542 H ALA 76 H ALA 76 11.721 5.137 -0.285 543 HA ALA 76 HA ALA 76 11.651 5.385 -3.139 544 HB1 ALA 76 HB1 ALA 76 12.481 3.056 -3.123 545 HB2 ALA 76 HB2 ALA 76 12.022 2.937 -1.414 546 HB3 ALA 76 HB3 ALA 76 13.311 4.027 -1.890 547 H ALA 77 H ALA 77 9.168 4.115 -0.800 548 HA ALA 77 HA ALA 77 7.395 2.921 -2.805 549 HB1 ALA 77 HB1 ALA 77 6.040 2.203 -0.864 550 HB2 ALA 77 HB2 ALA 77 7.061 3.210 0.182 551 HB3 ALA 77 HB3 ALA 77 7.755 1.793 -0.614 552 H VAL 78 H VAL 78 7.557 5.913 -0.796 553 HA VAL 78 HA VAL 78 4.949 7.135 -1.490 554 HB VAL 78 HB VAL 78 7.433 8.435 -0.036 555 HG11 VAL 78 HG11 VAL 78 4.610 9.568 0.023 556 HG12 VAL 78 HG12 VAL 78 5.940 10.281 -0.904 557 HG13 VAL 78 HG13 VAL 78 6.017 10.230 0.867 558 HG21 VAL 78 HG21 VAL 78 6.174 8.274 2.016 559 HG22 VAL 78 HG22 VAL 78 6.356 6.669 1.236 560 HG23 VAL 78 HG23 VAL 78 4.828 7.590 1.092 561 H GLU 79 H GLU 79 8.251 7.641 -2.851 562 HA GLU 79 HA GLU 79 7.796 9.724 -4.802 563 HB2 GLU 79 HB2 GLU 79 10.005 7.710 -4.527 564 HB3 GLU 79 HB3 GLU 79 10.047 8.842 -5.858 565 HG2 GLU 79 HG2 GLU 79 9.780 9.802 -3.076 566 HG3 GLU 79 HG3 GLU 79 11.408 9.355 -3.587 567 H ALA 80 H ALA 80 7.231 6.256 -5.105 568 HA ALA 80 HA ALA 80 6.599 6.090 -7.933 569 HB1 ALA 80 HB1 ALA 80 7.201 4.080 -6.570 570 HB2 ALA 80 HB2 ALA 80 5.645 3.873 -7.354 571 HB3 ALA 80 HB3 ALA 80 5.717 4.282 -5.636 572 H LEU 81 H LEU 81 4.761 7.220 -4.994 573 HA LEU 81 HA LEU 81 2.193 7.356 -6.342 574 HB2 LEU 81 HB2 LEU 81 2.661 7.872 -3.380 575 HB3 LEU 81 HB3 LEU 81 1.124 7.603 -4.149 576 HG LEU 81 HG LEU 81 3.242 5.569 -3.335 577 HD11 LEU 81 HD11 LEU 81 1.793 6.129 -1.672 578 HD12 LEU 81 HD12 LEU 81 1.498 4.460 -2.203 579 HD13 LEU 81 HD13 LEU 81 0.386 5.764 -2.685 580 HD21 LEU 81 HD21 LEU 81 2.658 4.803 -5.473 581 HD22 LEU 81 HD22 LEU 81 0.905 4.836 -5.154 582 HD23 LEU 81 HD23 LEU 81 1.962 3.666 -4.310 583 H LYS 82 H LYS 82 4.605 9.603 -5.133 584 HA LYS 82 HA LYS 82 3.095 12.070 -5.586 585 HB2 LYS 82 HB2 LYS 82 6.017 11.698 -4.759 586 HB3 LYS 82 HB3 LYS 82 5.328 13.277 -4.957 587 HG2 LYS 82 HG2 LYS 82 3.681 12.541 -3.014 588 HG3 LYS 82 HG3 LYS 82 4.790 11.222 -2.757 589 HD2 LYS 82 HD2 LYS 82 5.544 14.207 -2.478 590 HD3 LYS 82 HD3 LYS 82 5.058 13.143 -1.171 591 HE2 LYS 82 HE2 LYS 82 7.136 11.829 -1.418 592 HE3 LYS 82 HE3 LYS 82 7.621 12.813 -2.798 593 HZ1 LYS 82 HZ1 LYS 82 7.251 13.785 -0.012 594 HZ2 LYS 82 HZ2 LYS 82 7.728 14.737 -1.328 595 HZ3 LYS 82 HZ3 LYS 82 8.738 13.502 -0.769 596 H GLU 83 H GLU 83 5.724 10.320 -7.322 597 HA GLU 83 HA GLU 83 5.994 12.414 -9.407 598 HB2 GLU 83 HB2 GLU 83 7.603 10.066 -8.835 599 HB3 GLU 83 HB3 GLU 83 7.891 10.873 -10.378 600 HG2 GLU 83 HG2 GLU 83 7.990 12.940 -9.121 601 HG3 GLU 83 HG3 GLU 83 8.082 12.002 -7.641 602 H ALA 84 H ALA 84 4.184 9.526 -9.496 603 HA ALA 84 HA ALA 84 4.268 8.776 -12.284 604 HB1 ALA 84 HB1 ALA 84 3.253 7.335 -10.488 605 HB2 ALA 84 HB2 ALA 84 2.290 7.406 -11.960 606 HB3 ALA 84 HB3 ALA 84 1.799 8.332 -10.562 607 H GLY 85 H GLY 85 2.502 11.440 -10.924 608 HA2 GLY 85 HA2 GLY 85 2.526 13.531 -12.374 609 HA3 GLY 85 HA3 GLY 85 1.959 12.413 -13.604 610 H SER 86 H SER 86 -0.218 11.204 -12.281 611 HA SER 86 HA SER 86 -2.316 12.903 -11.377 612 HB2 SER 86 HB2 SER 86 -2.079 13.849 -13.666 613 HB3 SER 86 HB3 SER 86 -2.496 12.306 -14.400 614 HG SER 86 HG SER 86 -4.644 12.580 -13.662 615 H ILE 87 H ILE 87 -1.313 9.853 -12.952 616 HA ILE 87 HA ILE 87 -3.501 8.350 -11.661 617 HB ILE 87 HB ILE 87 -2.381 7.452 -14.418 618 HG12 ILE 87 HG12 ILE 87 -3.728 9.460 -14.925 619 HG13 ILE 87 HG13 ILE 87 -4.540 8.097 -15.670 620 HG21 ILE 87 HG21 ILE 87 -3.105 5.487 -13.305 621 HG22 ILE 87 HG22 ILE 87 -4.185 5.723 -14.703 622 HG23 ILE 87 HG23 ILE 87 -4.726 6.136 -13.057 623 HD11 ILE 87 HD11 ILE 87 -6.162 9.818 -14.792 624 HD12 ILE 87 HD12 ILE 87 -5.469 9.657 -13.167 625 HD13 ILE 87 HD13 ILE 87 -6.329 8.323 -13.869 626 H VAL 88 H VAL 88 -3.056 6.930 -10.398 627 HA VAL 88 HA VAL 88 -0.534 5.475 -10.237 628 HB VAL 88 HB VAL 88 -0.405 5.475 -7.728 629 HG11 VAL 88 HG11 VAL 88 -0.038 8.231 -8.924 630 HG12 VAL 88 HG12 VAL 88 1.155 6.976 -8.789 631 HG13 VAL 88 HG13 VAL 88 0.577 7.785 -7.345 632 HG21 VAL 88 HG21 VAL 88 -2.441 7.774 -7.619 633 HG22 VAL 88 HG22 VAL 88 -1.434 7.281 -6.250 634 HG23 VAL 88 HG23 VAL 88 -2.629 6.160 -6.913 635 H ARG 89 H ARG 89 -0.489 3.394 -10.109 636 HA ARG 89 HA ARG 89 -2.950 1.898 -9.528 637 HB2 ARG 89 HB2 ARG 89 -2.419 0.104 -11.460 638 HB3 ARG 89 HB3 ARG 89 -2.939 1.667 -11.986 639 HG2 ARG 89 HG2 ARG 89 -0.644 2.164 -12.672 640 HG3 ARG 89 HG3 ARG 89 -0.127 0.583 -12.056 641 HD2 ARG 89 HD2 ARG 89 -1.773 -0.474 -13.434 642 HD3 ARG 89 HD3 ARG 89 -2.239 1.085 -14.096 643 HE ARG 89 HE ARG 89 0.531 0.830 -14.542 644 HH11 ARG 89 HH11 ARG 89 -2.269 -0.929 -16.079 645 HH12 ARG 89 HH12 ARG 89 -1.374 -1.252 -17.527 646 HH21 ARG 89 HH21 ARG 89 1.568 0.340 -16.478 647 HH22 ARG 89 HH22 ARG 89 0.771 -0.539 -17.740 648 H LEU 90 H LEU 90 -2.961 0.971 -7.687 649 HA LEU 90 HA LEU 90 -0.678 -0.490 -6.563 650 HB2 LEU 90 HB2 LEU 90 -2.027 -0.440 -4.340 651 HB3 LEU 90 HB3 LEU 90 -1.546 1.156 -4.910 652 HG LEU 90 HG LEU 90 -3.587 1.412 -3.827 653 HD11 LEU 90 HD11 LEU 90 -3.927 2.655 -5.502 654 HD12 LEU 90 HD12 LEU 90 -5.414 1.854 -4.990 655 HD13 LEU 90 HD13 LEU 90 -4.595 1.320 -6.480 656 HD21 LEU 90 HD21 LEU 90 -5.384 -0.043 -3.632 657 HD22 LEU 90 HD22 LEU 90 -3.810 -0.900 -3.453 658 HD23 LEU 90 HD23 LEU 90 -4.733 -1.063 -4.941 659 H TYR 91 H TYR 91 -0.461 -2.506 -6.011 660 HA TYR 91 HA TYR 91 -2.569 -4.487 -6.554 661 HB2 TYR 91 HB2 TYR 91 -0.395 -4.469 -8.203 662 HB3 TYR 91 HB3 TYR 91 0.385 -5.162 -6.863 663 HD1 TYR 91 HD1 TYR 91 -2.965 -6.166 -8.409 664 HD2 TYR 91 HD2 TYR 91 0.973 -7.325 -7.315 665 HE1 TYR 91 HE1 TYR 91 -3.525 -8.347 -9.026 666 HE2 TYR 91 HE2 TYR 91 0.507 -9.599 -7.953 667 HH TYR 91 HH TYR 91 -1.500 -11.092 -8.292 668 H VAL 92 H VAL 92 -3.417 -5.191 -4.897 669 HA VAL 92 HA VAL 92 -1.956 -5.696 -2.362 670 HB VAL 92 HB VAL 92 -4.092 -5.368 -1.048 671 HG11 VAL 92 HG11 VAL 92 -2.838 -3.332 -1.392 672 HG12 VAL 92 HG12 VAL 92 -4.573 -3.005 -1.332 673 HG13 VAL 92 HG13 VAL 92 -3.753 -3.005 -2.873 674 HG21 VAL 92 HG21 VAL 92 -5.693 -6.213 -2.494 675 HG22 VAL 92 HG22 VAL 92 -5.462 -5.009 -3.722 676 HG23 VAL 92 HG23 VAL 92 -6.274 -4.553 -2.164 677 H MET 93 H MET 93 -2.791 -7.356 -0.788 678 HA MET 93 HA MET 93 -3.510 -10.073 -1.866 679 HB2 MET 93 HB2 MET 93 -1.574 -11.303 -0.685 680 HB3 MET 93 HB3 MET 93 -1.026 -10.205 -1.925 681 HG2 MET 93 HG2 MET 93 -0.212 -8.627 -0.192 682 HG3 MET 93 HG3 MET 93 -0.806 -9.700 1.071 683 HE1 MET 93 HE1 MET 93 2.178 -8.599 0.962 684 HE2 MET 93 HE2 MET 93 3.098 -10.053 1.342 685 HE3 MET 93 HE3 MET 93 1.611 -9.697 2.220 686 H ARG 94 H ARG 94 -5.046 -11.156 -1.007 687 HA ARG 94 HA ARG 94 -5.498 -11.167 1.856 688 HB2 ARG 94 HB2 ARG 94 -8.109 -11.259 1.589 689 HB3 ARG 94 HB3 ARG 94 -7.395 -9.707 1.263 690 HG2 ARG 94 HG2 ARG 94 -7.775 -10.058 -1.174 691 HG3 ARG 94 HG3 ARG 94 -8.423 -11.665 -0.843 692 HD2 ARG 94 HD2 ARG 94 -10.225 -10.634 0.496 693 HD3 ARG 94 HD3 ARG 94 -9.584 -9.037 0.107 694 HE ARG 94 HE ARG 94 -10.019 -10.259 -2.338 695 HH11 ARG 94 HH11 ARG 94 -12.444 -9.328 0.224 696 HH12 ARG 94 HH12 ARG 94 -13.723 -9.175 -0.934 697 HH21 ARG 94 HH21 ARG 94 -11.775 -10.021 -3.723 698 HH22 ARG 94 HH22 ARG 94 -13.339 -9.565 -3.135 699 H ARG 95 H ARG 95 -5.710 -12.946 2.936 700 HA ARG 95 HA ARG 95 -5.061 -15.474 1.684 701 HB2 ARG 95 HB2 ARG 95 -5.074 -14.634 4.592 702 HB3 ARG 95 HB3 ARG 95 -5.021 -16.344 4.215 703 HG2 ARG 95 HG2 ARG 95 -2.970 -15.948 2.898 704 HG3 ARG 95 HG3 ARG 95 -2.987 -14.253 3.403 705 HD2 ARG 95 HD2 ARG 95 -2.887 -15.009 5.769 706 HD3 ARG 95 HD3 ARG 95 -2.793 -16.674 5.184 707 HE ARG 95 HE ARG 95 -0.705 -15.224 3.978 708 HH11 ARG 95 HH11 ARG 95 -1.189 -16.400 7.398 709 HH12 ARG 95 HH12 ARG 95 0.513 -16.406 7.719 710 HH21 ARG 95 HH21 ARG 95 1.471 -15.281 4.539 711 HH22 ARG 95 HH22 ARG 95 1.992 -15.778 6.113 712 H LYS 96 H LYS 96 -5.903 -17.419 1.607 713 HA LYS 96 HA LYS 96 -8.731 -17.759 1.324 714 HB2 LYS 96 HB2 LYS 96 -8.219 -20.143 0.446 715 HB3 LYS 96 HB3 LYS 96 -7.447 -18.870 -0.438 716 HG2 LYS 96 HG2 LYS 96 -5.753 -20.501 -0.407 717 HG3 LYS 96 HG3 LYS 96 -5.302 -19.588 1.020 718 HD2 LYS 96 HD2 LYS 96 -6.415 -21.316 2.454 719 HD3 LYS 96 HD3 LYS 96 -6.888 -22.201 1.013 720 HE2 LYS 96 HE2 LYS 96 -4.996 -23.360 1.868 721 HE3 LYS 96 HE3 LYS 96 -4.385 -22.435 0.508 722 HZ1 LYS 96 HZ1 LYS 96 -2.865 -22.339 2.404 723 HZ2 LYS 96 HZ2 LYS 96 -4.080 -21.703 3.394 724 HZ3 LYS 96 HZ3 LYS 96 -3.491 -20.795 2.096 725 HA PRO 97 HA PRO 97 -10.116 -19.623 5.430 726 HB2 PRO 97 HB2 PRO 97 -12.775 -20.237 4.229 727 HB3 PRO 97 HB3 PRO 97 -12.390 -19.158 5.569 728 HG2 PRO 97 HG2 PRO 97 -13.190 -18.188 3.199 729 HG3 PRO 97 HG3 PRO 97 -11.955 -17.351 4.156 730 HD2 PRO 97 HD2 PRO 97 -11.592 -19.190 1.796 731 HD3 PRO 97 HD3 PRO 97 -10.859 -17.596 2.085 732 HA PRO 98 HA PRO 98 -9.601 -24.363 5.046 733 HB2 PRO 98 HB2 PRO 98 -10.587 -24.701 7.854 734 HB3 PRO 98 HB3 PRO 98 -9.025 -25.143 7.163 735 HG2 PRO 98 HG2 PRO 98 -9.210 -23.082 8.846 736 HG3 PRO 98 HG3 PRO 98 -8.156 -22.983 7.422 737 HD2 PRO 98 HD2 PRO 98 -10.931 -21.859 7.794 738 HD3 PRO 98 HD3 PRO 98 -9.475 -21.043 7.181 739 H ALA 99 H ALA 99 -10.704 -26.121 4.254 740 HA ALA 99 HA ALA 99 -13.629 -26.366 4.541 741 HB1 ALA 99 HB1 ALA 99 -12.918 -25.794 2.188 742 HB2 ALA 99 HB2 ALA 99 -13.779 -27.330 2.259 743 HB3 ALA 99 HB3 ALA 99 -12.023 -27.316 2.110 744 H1 VAL 1 H1 VAL 1 4.634 -2.021 18.737 745 H2 VAL 1 H2 VAL 1 5.083 -1.110 20.088 746 H3 VAL 1 H3 VAL 1 6.124 -2.302 19.496 747 HA VAL 1 HA VAL 1 6.660 -1.171 17.623 748 HB VAL 1 HB VAL 1 5.764 1.170 16.935 749 HG11 VAL 1 HG11 VAL 1 5.316 -0.817 15.663 750 HG12 VAL 1 HG12 VAL 1 3.960 0.305 15.563 751 HG13 VAL 1 HG13 VAL 1 3.866 -1.126 16.595 752 HG21 VAL 1 HG21 VAL 1 3.380 1.781 17.471 753 HG22 VAL 1 HG22 VAL 1 4.371 1.819 18.931 754 HG23 VAL 1 HG23 VAL 1 3.304 0.448 18.629 755 H VAL 2 H VAL 2 8.434 -0.370 17.330 756 HA VAL 2 HA VAL 2 9.674 1.006 19.584 757 HB VAL 2 HB VAL 2 12.013 0.088 18.939 758 HG11 VAL 2 HG11 VAL 2 10.943 -0.799 20.859 759 HG12 VAL 2 HG12 VAL 2 11.769 -2.106 20.008 760 HG13 VAL 2 HG13 VAL 2 10.019 -1.942 19.880 761 HG21 VAL 2 HG21 VAL 2 12.197 -2.077 17.649 762 HG22 VAL 2 HG22 VAL 2 11.647 -0.766 16.611 763 HG23 VAL 2 HG23 VAL 2 10.495 -1.952 17.202 764 H SER 3 H SER 3 9.359 1.557 16.053 765 HA SER 3 HA SER 3 10.904 3.972 16.354 766 HB2 SER 3 HB2 SER 3 11.598 2.082 14.080 767 HB3 SER 3 HB3 SER 3 12.082 3.775 14.076 768 HG SER 3 HG SER 3 13.749 2.551 14.946 769 H GLU 4 H GLU 4 8.792 2.229 14.010 770 HA GLU 4 HA GLU 4 7.359 2.626 12.438 771 HB2 GLU 4 HB2 GLU 4 5.933 3.268 14.482 772 HB3 GLU 4 HB3 GLU 4 6.122 4.991 14.069 773 HG2 GLU 4 HG2 GLU 4 4.790 4.303 11.928 774 HG3 GLU 4 HG3 GLU 4 4.903 2.730 12.843 775 H ARG 5 H ARG 5 8.073 6.207 12.936 776 HA ARG 5 HA ARG 5 7.991 7.937 11.514 777 HB2 ARG 5 HB2 ARG 5 10.553 6.528 10.564 778 HB3 ARG 5 HB3 ARG 5 10.115 8.077 9.879 779 HG2 ARG 5 HG2 ARG 5 10.253 9.080 12.148 780 HG3 ARG 5 HG3 ARG 5 10.739 7.507 12.789 781 HD2 ARG 5 HD2 ARG 5 12.718 7.522 11.356 782 HD3 ARG 5 HD3 ARG 5 12.224 9.065 10.663 783 HE ARG 5 HE ARG 5 12.462 9.273 13.503 784 HH11 ARG 5 HH11 ARG 5 14.800 9.340 10.704 785 HH12 ARG 5 HH12 ARG 5 15.990 10.212 11.613 786 HH21 ARG 5 HH21 ARG 5 14.099 10.406 14.562 787 HH22 ARG 5 HH22 ARG 5 15.587 10.802 13.766 788 H ILE 6 H ILE 6 5.906 7.545 10.804 789 HA ILE 6 HA ILE 6 5.658 6.720 8.071 790 HB ILE 6 HB ILE 6 4.271 5.344 9.764 791 HG12 ILE 6 HG12 ILE 6 2.601 6.502 7.387 792 HG13 ILE 6 HG13 ILE 6 3.784 5.212 7.403 793 HG21 ILE 6 HG21 ILE 6 2.055 6.048 10.720 794 HG22 ILE 6 HG22 ILE 6 2.412 7.699 10.220 795 HG23 ILE 6 HG23 ILE 6 3.456 6.895 11.389 796 HD11 ILE 6 HD11 ILE 6 0.892 5.004 8.414 797 HD12 ILE 6 HD12 ILE 6 2.084 3.706 8.521 798 HD13 ILE 6 HD13 ILE 6 1.541 4.268 6.956 799 H SER 7 H SER 7 3.165 9.031 9.303 800 HA SER 7 HA SER 7 2.023 10.808 8.239 801 HB2 SER 7 HB2 SER 7 4.884 11.980 8.264 802 HB3 SER 7 HB3 SER 7 3.462 12.970 7.961 803 HG SER 7 HG SER 7 3.059 12.975 10.034 804 H SER 8 H SER 8 2.570 8.784 6.304 805 HA SER 8 HA SER 8 3.529 9.717 3.739 806 HB2 SER 8 HB2 SER 8 2.658 6.883 4.638 807 HB3 SER 8 HB3 SER 8 3.332 7.263 3.092 808 HG SER 8 HG SER 8 4.635 6.918 5.447 809 H VAL 9 H VAL 9 2.122 8.182 1.763 810 HA VAL 9 HA VAL 9 -0.487 9.546 1.462 811 HB VAL 9 HB VAL 9 1.263 8.865 -1.099 812 HG11 VAL 9 HG11 VAL 9 -1.017 9.514 -1.613 813 HG12 VAL 9 HG12 VAL 9 0.116 10.707 -2.246 814 HG13 VAL 9 HG13 VAL 9 -0.799 11.053 -0.780 815 HG21 VAL 9 HG21 VAL 9 1.471 11.596 0.265 816 HG22 VAL 9 HG22 VAL 9 2.165 11.177 -1.300 817 HG23 VAL 9 HG23 VAL 9 2.761 10.393 0.162 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 -7.152 -31.523 4.875 2 H2 GLY 1 H2 GLY 1 -7.226 -30.065 4.021 3 H3 GLY 1 H3 GLY 1 -6.974 -30.053 5.694 4 HA2 GLY 1 HA2 GLY 1 -4.834 -31.153 5.413 5 HA3 GLY 1 HA3 GLY 1 -5.095 -31.158 3.675 6 H ALA 2 H ALA 2 -4.615 -29.398 2.434 7 HA ALA 2 HA ALA 2 -3.448 -26.973 3.694 8 HB1 ALA 2 HB1 ALA 2 -1.753 -28.344 2.438 9 HB2 ALA 2 HB2 ALA 2 -1.953 -26.732 1.736 10 HB3 ALA 2 HB3 ALA 2 -2.706 -28.119 0.962 11 H MET 3 H MET 3 -4.115 -24.935 3.262 12 HA MET 3 HA MET 3 -6.078 -24.392 1.128 13 HB2 MET 3 HB2 MET 3 -6.061 -23.295 3.955 14 HB3 MET 3 HB3 MET 3 -6.695 -22.263 2.693 15 HG2 MET 3 HG2 MET 3 -7.772 -25.015 3.412 16 HG3 MET 3 HG3 MET 3 -8.402 -23.438 3.921 17 HE1 MET 3 HE1 MET 3 -10.843 -24.284 3.087 18 HE2 MET 3 HE2 MET 3 -10.144 -25.801 2.520 19 HE3 MET 3 HE3 MET 3 -11.162 -24.843 1.446 20 H GLU 4 H GLU 4 -6.167 -22.551 -0.043 21 HA GLU 4 HA GLU 4 -3.593 -21.148 -0.548 22 HB2 GLU 4 HB2 GLU 4 -5.710 -21.787 -2.722 23 HB3 GLU 4 HB3 GLU 4 -4.291 -20.796 -2.944 24 HG2 GLU 4 HG2 GLU 4 -4.027 -23.743 -2.199 25 HG3 GLU 4 HG3 GLU 4 -4.215 -23.230 -3.862 26 H MET 5 H MET 5 -3.692 -18.995 -1.762 27 HA MET 5 HA MET 5 -5.578 -17.081 -0.587 28 HB2 MET 5 HB2 MET 5 -3.644 -15.316 -0.707 29 HB3 MET 5 HB3 MET 5 -3.463 -16.558 0.509 30 HG2 MET 5 HG2 MET 5 -1.968 -17.704 -1.141 31 HG3 MET 5 HG3 MET 5 -1.960 -16.263 -2.115 32 HE1 MET 5 HE1 MET 5 1.623 -16.193 -0.328 33 HE2 MET 5 HE2 MET 5 0.784 -16.212 -1.877 34 HE3 MET 5 HE3 MET 5 0.727 -17.628 -0.829 35 H GLU 6 H GLU 6 -5.861 -14.960 -1.651 36 HA GLU 6 HA GLU 6 -6.183 -14.960 -4.608 37 HB2 GLU 6 HB2 GLU 6 -8.547 -14.327 -2.724 38 HB3 GLU 6 HB3 GLU 6 -8.548 -13.803 -4.391 39 HG2 GLU 6 HG2 GLU 6 -8.467 -16.234 -5.083 40 HG3 GLU 6 HG3 GLU 6 -8.578 -16.658 -3.379 41 H TYR 7 H TYR 7 -5.532 -13.261 -5.686 42 HA TYR 7 HA TYR 7 -4.730 -10.742 -4.315 43 HB2 TYR 7 HB2 TYR 7 -3.647 -11.866 -6.966 44 HB3 TYR 7 HB3 TYR 7 -3.097 -10.406 -6.219 45 HD1 TYR 7 HD1 TYR 7 -2.990 -14.148 -5.841 46 HD2 TYR 7 HD2 TYR 7 -1.406 -10.418 -4.578 47 HE1 TYR 7 HE1 TYR 7 -1.170 -15.341 -4.790 48 HE2 TYR 7 HE2 TYR 7 0.529 -11.594 -3.524 49 HH TYR 7 HH TYR 7 1.018 -13.847 -2.617 50 H GLU 8 H GLU 8 -5.080 -8.652 -5.122 51 HA GLU 8 HA GLU 8 -7.077 -8.240 -7.322 52 HB2 GLU 8 HB2 GLU 8 -8.160 -8.220 -4.858 53 HB3 GLU 8 HB3 GLU 8 -7.452 -6.631 -4.716 54 HG2 GLU 8 HG2 GLU 8 -8.905 -5.823 -6.584 55 HG3 GLU 8 HG3 GLU 8 -9.586 -7.436 -6.748 56 H GLU 9 H GLU 9 -6.712 -6.609 -8.788 57 HA GLU 9 HA GLU 9 -4.727 -4.540 -8.245 58 HB2 GLU 9 HB2 GLU 9 -4.291 -4.318 -10.797 59 HB3 GLU 9 HB3 GLU 9 -3.869 -5.863 -10.097 60 HG2 GLU 9 HG2 GLU 9 -5.852 -6.925 -11.198 61 HG3 GLU 9 HG3 GLU 9 -6.339 -5.366 -11.843 62 H ILE 10 H ILE 10 -5.304 -2.520 -7.794 63 HA ILE 10 HA ILE 10 -7.875 -1.374 -8.796 64 HB ILE 10 HB ILE 10 -6.516 -0.661 -6.076 65 HG12 ILE 10 HG12 ILE 10 -9.185 -2.060 -5.856 66 HG13 ILE 10 HG13 ILE 10 -7.873 -3.071 -6.433 67 HG21 ILE 10 HG21 ILE 10 -8.092 1.193 -6.826 68 HG22 ILE 10 HG22 ILE 10 -8.775 0.441 -5.381 69 HG23 ILE 10 HG23 ILE 10 -9.424 0.033 -6.981 70 HD11 ILE 10 HD11 ILE 10 -8.083 -3.367 -4.002 71 HD12 ILE 10 HD12 ILE 10 -7.999 -1.611 -3.773 72 HD13 ILE 10 HD13 ILE 10 -6.586 -2.477 -4.373 73 H THR 11 H THR 11 -8.017 0.817 -9.521 74 HA THR 11 HA THR 11 -5.609 2.510 -9.817 75 HB THR 11 HB THR 11 -7.230 3.670 -11.728 76 HG1 THR 11 HG1 THR 11 -7.847 0.945 -11.866 77 HG21 THR 11 HG21 THR 11 -4.897 3.315 -12.044 78 HG22 THR 11 HG22 THR 11 -5.740 2.690 -13.469 79 HG23 THR 11 HG23 THR 11 -5.112 1.575 -12.239 80 H LEU 12 H LEU 12 -5.406 4.436 -9.010 81 HA LEU 12 HA LEU 12 -7.718 6.106 -8.215 82 HB2 LEU 12 HB2 LEU 12 -5.344 5.401 -6.443 83 HB3 LEU 12 HB3 LEU 12 -6.141 6.918 -6.162 84 HG LEU 12 HG LEU 12 -6.860 5.566 -4.441 85 HD11 LEU 12 HD11 LEU 12 -9.229 4.969 -4.530 86 HD12 LEU 12 HD12 LEU 12 -9.215 5.325 -6.251 87 HD13 LEU 12 HD13 LEU 12 -8.838 6.592 -5.092 88 HD21 LEU 12 HD21 LEU 12 -7.653 3.217 -4.530 89 HD22 LEU 12 HD22 LEU 12 -5.974 3.430 -5.026 90 HD23 LEU 12 HD23 LEU 12 -7.228 3.182 -6.242 91 H GLU 13 H GLU 13 -7.536 8.400 -8.196 92 HA GLU 13 HA GLU 13 -5.427 9.657 -9.881 93 HB2 GLU 13 HB2 GLU 13 -8.160 10.857 -9.017 94 HB3 GLU 13 HB3 GLU 13 -7.002 11.673 -10.044 95 HG2 GLU 13 HG2 GLU 13 -7.455 10.084 -11.825 96 HG3 GLU 13 HG3 GLU 13 -8.471 9.141 -10.748 97 H ARG 14 H ARG 14 -3.880 10.925 -9.080 98 HA ARG 14 HA ARG 14 -3.617 11.455 -6.205 99 HB2 ARG 14 HB2 ARG 14 -1.739 10.056 -6.982 100 HB3 ARG 14 HB3 ARG 14 -1.466 11.038 -8.385 101 HG2 ARG 14 HG2 ARG 14 0.496 11.207 -6.889 102 HG3 ARG 14 HG3 ARG 14 -0.303 12.763 -6.892 103 HD2 ARG 14 HD2 ARG 14 -1.413 11.904 -4.671 104 HD3 ARG 14 HD3 ARG 14 -0.120 10.705 -4.686 105 HE ARG 14 HE ARG 14 1.399 12.804 -4.853 106 HH11 ARG 14 HH11 ARG 14 -1.526 12.903 -2.666 107 HH12 ARG 14 HH12 ARG 14 -0.859 14.170 -1.691 108 HH21 ARG 14 HH21 ARG 14 2.120 14.467 -3.505 109 HH22 ARG 14 HH22 ARG 14 1.175 15.034 -2.169 110 H GLY 15 H GLY 15 -3.538 13.237 -5.206 111 HA2 GLY 15 HA2 GLY 15 -2.613 15.436 -4.602 112 HA3 GLY 15 HA3 GLY 15 -2.274 15.725 -6.283 113 H ASN 16 H ASN 16 -4.593 15.848 -7.596 114 HA ASN 16 HA ASN 16 -5.895 18.306 -6.908 115 HB2 ASN 16 HB2 ASN 16 -6.452 16.338 -9.188 116 HB3 ASN 16 HB3 ASN 16 -7.417 17.785 -8.987 117 HD21 ASN 16 HD21 ASN 16 -6.491 19.814 -9.546 118 HD22 ASN 16 HD22 ASN 16 -5.020 19.949 -10.442 119 H SER 17 H SER 17 -6.928 14.982 -6.176 120 HA SER 17 HA SER 17 -9.491 15.867 -5.047 121 HB2 SER 17 HB2 SER 17 -10.144 13.390 -4.940 122 HB3 SER 17 HB3 SER 17 -9.840 13.975 -6.567 123 HG SER 17 HG SER 17 -7.557 13.056 -5.958 124 H GLY 18 H GLY 18 -6.180 14.583 -3.751 125 HA2 GLY 18 HA2 GLY 18 -5.350 15.162 -1.677 126 HA3 GLY 18 HA3 GLY 18 -6.967 15.518 -1.105 127 H LEU 19 H LEU 19 -5.014 12.670 -2.279 128 HA LEU 19 HA LEU 19 -6.529 10.542 -1.560 129 HB2 LEU 19 HB2 LEU 19 -3.501 10.629 -1.887 130 HB3 LEU 19 HB3 LEU 19 -4.270 9.089 -1.533 131 HG LEU 19 HG LEU 19 -4.437 10.813 -4.037 132 HD11 LEU 19 HD11 LEU 19 -2.332 9.703 -3.471 133 HD12 LEU 19 HD12 LEU 19 -3.023 9.101 -4.988 134 HD13 LEU 19 HD13 LEU 19 -3.153 8.160 -3.484 135 HD21 LEU 19 HD21 LEU 19 -5.505 8.918 -5.148 136 HD22 LEU 19 HD22 LEU 19 -6.528 9.475 -3.821 137 HD23 LEU 19 HD23 LEU 19 -5.552 8.001 -3.627 138 H GLY 20 H GLY 20 -7.192 9.219 0.066 139 HA2 GLY 20 HA2 GLY 20 -6.736 10.145 2.798 140 HA3 GLY 20 HA3 GLY 20 -8.235 9.523 2.160 141 H PHE 21 H PHE 21 -4.801 8.367 2.349 142 HA PHE 21 HA PHE 21 -5.236 6.633 4.510 143 HB2 PHE 21 HB2 PHE 21 -4.557 4.406 3.516 144 HB3 PHE 21 HB3 PHE 21 -5.913 4.995 2.638 145 HD1 PHE 21 HD1 PHE 21 -5.440 6.021 0.187 146 HD2 PHE 21 HD2 PHE 21 -2.620 3.621 2.313 147 HE1 PHE 21 HE1 PHE 21 -4.294 5.539 -1.918 148 HE2 PHE 21 HE2 PHE 21 -1.458 3.128 0.180 149 HZ PHE 21 HZ PHE 21 -2.291 4.087 -1.927 150 H SER 22 H SER 22 -2.831 5.662 5.373 151 HA SER 22 HA SER 22 -0.548 6.943 4.133 152 HB2 SER 22 HB2 SER 22 -1.088 6.859 7.145 153 HB3 SER 22 HB3 SER 22 0.483 7.208 6.410 154 HG SER 22 HG SER 22 -1.927 8.722 6.191 155 H ILE 23 H ILE 23 1.405 5.738 4.034 156 HA ILE 23 HA ILE 23 1.173 2.910 4.738 157 HB ILE 23 HB ILE 23 2.615 2.289 2.705 158 HG12 ILE 23 HG12 ILE 23 1.622 3.386 0.478 159 HG13 ILE 23 HG13 ILE 23 1.168 4.723 1.514 160 HG21 ILE 23 HG21 ILE 23 0.633 1.303 3.198 161 HG22 ILE 23 HG22 ILE 23 0.350 1.822 1.483 162 HG23 ILE 23 HG23 ILE 23 -0.214 2.797 2.891 163 HD11 ILE 23 HD11 ILE 23 3.091 5.373 0.230 164 HD12 ILE 23 HD12 ILE 23 3.989 3.919 0.639 165 HD13 ILE 23 HD13 ILE 23 3.666 5.145 1.880 166 H ALA 24 H ALA 24 2.407 1.590 5.603 167 HA ALA 24 HA ALA 24 5.019 2.633 6.541 168 HB1 ALA 24 HB1 ALA 24 4.727 1.353 8.650 169 HB2 ALA 24 HB2 ALA 24 3.252 0.622 8.025 170 HB3 ALA 24 HB3 ALA 24 3.290 2.347 8.374 171 H GLY 25 H GLY 25 6.783 1.797 5.885 172 HA2 GLY 25 HA2 GLY 25 7.511 -0.915 5.396 173 HA3 GLY 25 HA3 GLY 25 7.078 -0.148 3.879 174 H GLY 26 H GLY 26 9.593 -1.177 4.366 175 HA2 GLY 26 HA2 GLY 26 11.573 0.762 4.005 176 HA3 GLY 26 HA3 GLY 26 11.437 0.653 5.737 177 H THR 27 H THR 27 13.602 0.174 3.708 178 HA THR 27 HA THR 27 14.587 -2.426 4.646 179 HB THR 27 HB THR 27 16.758 -1.804 3.176 180 HG1 THR 27 HG1 THR 27 16.647 -0.078 2.116 181 HG21 THR 27 HG21 THR 27 15.795 -2.952 1.172 182 HG22 THR 27 HG22 THR 27 14.196 -2.769 1.884 183 HG23 THR 27 HG23 THR 27 15.415 -3.743 2.700 184 H ASP 28 H ASP 28 15.298 0.998 5.161 185 HA ASP 28 HA ASP 28 17.302 0.370 7.185 186 HB2 ASP 28 HB2 ASP 28 16.845 3.054 5.752 187 HB3 ASP 28 HB3 ASP 28 17.815 2.975 7.208 188 H ASN 29 H ASN 29 14.111 2.021 6.811 189 HA ASN 29 HA ASN 29 13.767 2.446 9.702 190 HB2 ASN 29 HB2 ASN 29 13.454 4.495 8.068 191 HB3 ASN 29 HB3 ASN 29 12.025 3.725 7.455 192 HD21 ASN 29 HD21 ASN 29 10.101 3.800 8.727 193 HD22 ASN 29 HD22 ASN 29 9.928 4.851 10.086 194 HA PRO 30 HA PRO 30 11.085 -1.634 9.457 195 HB2 PRO 30 HB2 PRO 30 11.251 -1.638 12.426 196 HB3 PRO 30 HB3 PRO 30 11.716 -2.885 11.273 197 HG2 PRO 30 HG2 PRO 30 13.631 -1.534 12.570 198 HG3 PRO 30 HG3 PRO 30 13.836 -1.971 10.864 199 HD2 PRO 30 HD2 PRO 30 13.018 0.673 12.053 200 HD3 PRO 30 HD3 PRO 30 14.228 0.337 10.799 201 H HIS 31 H HIS 31 8.953 -2.469 10.171 202 HA HIS 31 HA HIS 31 7.095 -0.704 11.624 203 HB2 HIS 31 HB2 HIS 31 6.301 -0.704 9.242 204 HB3 HIS 31 HB3 HIS 31 6.420 -2.442 9.137 205 HD1 HIS 31 HD1 HIS 31 4.208 0.036 11.193 206 HD2 HIS 31 HD2 HIS 31 3.904 -3.585 9.168 207 HE1 HIS 31 HE1 HIS 31 1.813 -0.707 11.478 208 HE2 HIS 31 HE2 HIS 31 1.636 -2.837 10.155 209 H ILE 32 H ILE 32 8.155 -4.197 11.227 210 HA ILE 32 HA ILE 32 6.382 -5.085 13.347 211 HB ILE 32 HB ILE 32 5.725 -5.768 10.971 212 HG12 ILE 32 HG12 ILE 32 5.578 -8.431 11.449 213 HG13 ILE 32 HG13 ILE 32 6.094 -7.770 13.017 214 HG21 ILE 32 HG21 ILE 32 8.112 -7.572 10.746 215 HG22 ILE 32 HG22 ILE 32 7.678 -6.197 9.733 216 HG23 ILE 32 HG23 ILE 32 6.693 -7.659 9.697 217 HD11 ILE 32 HD11 ILE 32 3.573 -8.086 12.908 218 HD12 ILE 32 HD12 ILE 32 3.568 -6.937 11.556 219 HD13 ILE 32 HD13 ILE 32 4.081 -6.401 13.160 220 H GLY 33 H GLY 33 9.290 -4.162 13.467 221 HA2 GLY 33 HA2 GLY 33 10.625 -4.937 15.525 222 HA3 GLY 33 HA3 GLY 33 10.775 -6.451 14.653 223 H ASP 34 H ASP 34 11.730 -6.233 12.348 224 HA ASP 34 HA ASP 34 13.648 -4.223 11.685 225 HB2 ASP 34 HB2 ASP 34 15.881 -5.496 11.984 226 HB3 ASP 34 HB3 ASP 34 14.948 -5.234 13.458 227 H ASP 35 H ASP 35 11.406 -5.895 10.261 228 HA ASP 35 HA ASP 35 12.721 -7.414 8.155 229 HB2 ASP 35 HB2 ASP 35 9.876 -7.302 9.150 230 HB3 ASP 35 HB3 ASP 35 10.206 -7.983 7.578 231 HA PRO 36 HA PRO 36 12.401 -4.421 4.578 232 HB2 PRO 36 HB2 PRO 36 12.335 -6.593 2.563 233 HB3 PRO 36 HB3 PRO 36 13.593 -5.404 2.884 234 HG2 PRO 36 HG2 PRO 36 13.953 -7.989 3.484 235 HG3 PRO 36 HG3 PRO 36 14.580 -6.713 4.546 236 HD2 PRO 36 HD2 PRO 36 12.045 -8.317 4.823 237 HD3 PRO 36 HD3 PRO 36 13.316 -8.030 6.037 238 H SER 37 H SER 37 9.538 -6.506 4.853 239 HA SER 37 HA SER 37 8.063 -5.814 2.439 240 HB2 SER 37 HB2 SER 37 7.884 -8.067 3.627 241 HB3 SER 37 HB3 SER 37 7.018 -7.272 4.932 242 HG SER 37 HG SER 37 5.305 -7.749 3.778 243 H ILE 38 H ILE 38 6.212 -4.490 2.017 244 HA ILE 38 HA ILE 38 5.594 -2.310 3.913 245 HB ILE 38 HB ILE 38 4.611 -2.102 0.996 246 HG12 ILE 38 HG12 ILE 38 6.846 -2.064 -0.166 247 HG13 ILE 38 HG13 ILE 38 6.777 -0.525 0.424 248 HG21 ILE 38 HG21 ILE 38 3.751 -0.328 2.211 249 HG22 ILE 38 HG22 ILE 38 4.896 0.360 1.061 250 HG23 ILE 38 HG23 ILE 38 5.347 0.196 2.757 251 HD11 ILE 38 HD11 ILE 38 8.334 -2.505 2.053 252 HD12 ILE 38 HD12 ILE 38 8.389 -0.735 2.126 253 HD13 ILE 38 HD13 ILE 38 9.008 -1.593 0.711 254 H PHE 39 H PHE 39 3.595 -1.923 4.854 255 HA PHE 39 HA PHE 39 1.121 -3.470 4.276 256 HB2 PHE 39 HB2 PHE 39 2.324 -3.181 7.133 257 HB3 PHE 39 HB3 PHE 39 0.756 -3.850 6.805 258 HD1 PHE 39 HD1 PHE 39 0.729 -6.264 5.629 259 HD2 PHE 39 HD2 PHE 39 4.253 -4.540 7.348 260 HE1 PHE 39 HE1 PHE 39 1.739 -8.504 5.831 261 HE2 PHE 39 HE2 PHE 39 5.247 -6.785 7.539 262 HZ PHE 39 HZ PHE 39 3.998 -8.761 6.772 263 H ILE 40 H ILE 40 -1.054 -2.405 5.140 264 HA ILE 40 HA ILE 40 -0.977 0.461 5.616 265 HB ILE 40 HB ILE 40 -3.619 -1.050 5.747 266 HG12 ILE 40 HG12 ILE 40 -2.817 -2.172 3.639 267 HG13 ILE 40 HG13 ILE 40 -4.150 -1.128 3.250 268 HG21 ILE 40 HG21 ILE 40 -4.724 0.792 4.599 269 HG22 ILE 40 HG22 ILE 40 -3.198 1.689 4.549 270 HG23 ILE 40 HG23 ILE 40 -3.932 1.268 6.106 271 HD11 ILE 40 HD11 ILE 40 -2.459 -1.040 1.462 272 HD12 ILE 40 HD12 ILE 40 -1.238 -0.641 2.757 273 HD13 ILE 40 HD13 ILE 40 -2.501 0.502 2.413 274 H THR 41 H THR 41 -1.833 1.475 7.334 275 HA THR 41 HA THR 41 -2.756 0.277 9.771 276 HB THR 41 HB THR 41 -0.384 -0.098 10.414 277 HG1 THR 41 HG1 THR 41 -1.590 1.842 12.042 278 HG21 THR 41 HG21 THR 41 0.196 2.897 10.242 279 HG22 THR 41 HG22 THR 41 0.858 1.656 9.180 280 HG23 THR 41 HG23 THR 41 1.315 1.690 10.882 281 H LYS 42 H LYS 42 -2.442 3.309 7.922 282 HA LYS 42 HA LYS 42 -4.377 4.544 9.759 283 HB2 LYS 42 HB2 LYS 42 -1.879 5.580 9.695 284 HB3 LYS 42 HB3 LYS 42 -2.395 6.289 8.191 285 HG2 LYS 42 HG2 LYS 42 -4.057 6.895 10.608 286 HG3 LYS 42 HG3 LYS 42 -2.441 7.590 10.537 287 HD2 LYS 42 HD2 LYS 42 -3.037 8.686 8.385 288 HD3 LYS 42 HD3 LYS 42 -4.652 7.969 8.498 289 HE2 LYS 42 HE2 LYS 42 -5.147 9.188 10.455 290 HE3 LYS 42 HE3 LYS 42 -3.467 9.746 10.597 291 HZ1 LYS 42 HZ1 LYS 42 -5.406 10.485 8.462 292 HZ2 LYS 42 HZ2 LYS 42 -3.809 11.033 8.568 293 HZ3 LYS 42 HZ3 LYS 42 -4.935 11.483 9.747 294 H ILE 43 H ILE 43 -6.287 4.990 8.971 295 HA ILE 43 HA ILE 43 -6.737 5.535 6.148 296 HB ILE 43 HB ILE 43 -8.553 3.812 7.998 297 HG12 ILE 43 HG12 ILE 43 -6.990 2.199 6.980 298 HG13 ILE 43 HG13 ILE 43 -8.499 1.891 6.268 299 HG21 ILE 43 HG21 ILE 43 -10.390 3.400 6.334 300 HG22 ILE 43 HG22 ILE 43 -9.695 4.701 5.360 301 HG23 ILE 43 HG23 ILE 43 -10.286 5.054 6.986 302 HD11 ILE 43 HD11 ILE 43 -7.717 3.017 4.109 303 HD12 ILE 43 HD12 ILE 43 -6.671 1.673 4.614 304 HD13 ILE 43 HD13 ILE 43 -6.169 3.320 4.912 305 H ILE 44 H ILE 44 -7.640 7.561 5.674 306 HA ILE 44 HA ILE 44 -8.710 9.280 7.739 307 HB ILE 44 HB ILE 44 -8.127 9.942 4.706 308 HG12 ILE 44 HG12 ILE 44 -6.456 11.693 5.605 309 HG13 ILE 44 HG13 ILE 44 -6.576 10.863 7.161 310 HG21 ILE 44 HG21 ILE 44 -9.008 12.042 6.667 311 HG22 ILE 44 HG22 ILE 44 -9.921 11.430 5.264 312 HG23 ILE 44 HG23 ILE 44 -8.410 12.336 5.015 313 HD11 ILE 44 HD11 ILE 44 -5.672 8.926 6.129 314 HD12 ILE 44 HD12 ILE 44 -4.555 10.307 5.836 315 HD13 ILE 44 HD13 ILE 44 -5.687 9.721 4.561 316 HA PRO 45 HA PRO 45 -13.247 8.126 7.312 317 HB2 PRO 45 HB2 PRO 45 -13.968 10.742 8.596 318 HB3 PRO 45 HB3 PRO 45 -14.330 9.102 9.137 319 HG2 PRO 45 HG2 PRO 45 -12.502 10.557 10.420 320 HG3 PRO 45 HG3 PRO 45 -12.218 8.830 10.130 321 HD2 PRO 45 HD2 PRO 45 -11.113 11.194 8.585 322 HD3 PRO 45 HD3 PRO 45 -10.235 9.789 9.186 323 H GLY 46 H GLY 46 -12.255 11.236 5.848 324 HA2 GLY 46 HA2 GLY 46 -14.401 11.090 3.814 325 HA3 GLY 46 HA3 GLY 46 -13.966 12.638 4.519 326 H GLY 47 H GLY 47 -11.810 9.908 3.340 327 HA2 GLY 47 HA2 GLY 47 -10.458 11.594 1.334 328 HA3 GLY 47 HA3 GLY 47 -9.894 10.058 1.952 329 H ALA 48 H ALA 48 -9.464 10.041 -0.561 330 HA ALA 48 HA ALA 48 -11.664 9.448 -2.353 331 HB1 ALA 48 HB1 ALA 48 -9.753 10.894 -3.084 332 HB2 ALA 48 HB2 ALA 48 -10.058 9.560 -4.196 333 HB3 ALA 48 HB3 ALA 48 -8.706 9.473 -3.067 334 H ALA 49 H ALA 49 -9.047 7.325 -0.952 335 HA ALA 49 HA ALA 49 -9.818 4.936 -2.432 336 HB1 ALA 49 HB1 ALA 49 -7.995 3.798 -1.376 337 HB2 ALA 49 HB2 ALA 49 -7.802 5.099 -0.188 338 HB3 ALA 49 HB3 ALA 49 -7.462 5.398 -1.903 339 H ALA 50 H ALA 50 -10.752 6.173 0.741 340 HA ALA 50 HA ALA 50 -11.856 3.744 1.917 341 HB1 ALA 50 HB1 ALA 50 -12.395 5.157 3.890 342 HB2 ALA 50 HB2 ALA 50 -12.043 6.610 2.980 343 HB3 ALA 50 HB3 ALA 50 -10.745 5.482 3.358 344 H GLN 51 H GLN 51 -13.357 6.886 0.605 345 HA GLN 51 HA GLN 51 -16.108 5.983 0.756 346 HB2 GLN 51 HB2 GLN 51 -14.831 8.614 -0.051 347 HB3 GLN 51 HB3 GLN 51 -16.561 8.381 -0.134 348 HG2 GLN 51 HG2 GLN 51 -15.161 7.938 2.485 349 HG3 GLN 51 HG3 GLN 51 -15.336 9.579 1.944 350 HE21 GLN 51 HE21 GLN 51 -16.691 10.181 3.682 351 HE22 GLN 51 HE22 GLN 51 -18.280 9.572 3.972 352 H ASP 52 H ASP 52 -13.897 7.072 -2.089 353 HA ASP 52 HA ASP 52 -15.925 6.507 -4.061 354 HB2 ASP 52 HB2 ASP 52 -13.440 8.170 -4.042 355 HB3 ASP 52 HB3 ASP 52 -14.039 7.638 -5.582 356 H GLY 53 H GLY 53 -12.684 4.951 -3.240 357 HA2 GLY 53 HA2 GLY 53 -12.434 3.721 -5.916 358 HA3 GLY 53 HA3 GLY 53 -11.244 3.665 -4.647 359 H ARG 54 H ARG 54 -11.779 2.049 -2.743 360 HA ARG 54 HA ARG 54 -13.542 -0.125 -2.606 361 HB2 ARG 54 HB2 ARG 54 -11.235 -0.944 -4.471 362 HB3 ARG 54 HB3 ARG 54 -11.780 -2.132 -3.313 363 HG2 ARG 54 HG2 ARG 54 -14.019 -2.099 -4.346 364 HG3 ARG 54 HG3 ARG 54 -13.477 -0.858 -5.476 365 HD2 ARG 54 HD2 ARG 54 -11.793 -2.421 -6.361 366 HD3 ARG 54 HD3 ARG 54 -12.367 -3.660 -5.244 367 HE ARG 54 HE ARG 54 -14.588 -2.845 -6.712 368 HH11 ARG 54 HH11 ARG 54 -11.589 -4.627 -7.773 369 HH12 ARG 54 HH12 ARG 54 -12.408 -5.378 -9.102 370 HH21 ARG 54 HH21 ARG 54 -15.522 -3.892 -8.474 371 HH22 ARG 54 HH22 ARG 54 -14.608 -4.961 -9.484 372 H LEU 55 H LEU 55 -10.389 1.264 -1.509 373 HA LEU 55 HA LEU 55 -9.419 -1.100 -0.219 374 HB2 LEU 55 HB2 LEU 55 -7.832 0.096 -1.578 375 HB3 LEU 55 HB3 LEU 55 -8.186 1.624 -0.835 376 HG LEU 55 HG LEU 55 -6.858 -0.256 1.041 377 HD11 LEU 55 HD11 LEU 55 -4.672 -0.193 -0.022 378 HD12 LEU 55 HD12 LEU 55 -5.371 0.572 -1.452 379 HD13 LEU 55 HD13 LEU 55 -5.826 -1.078 -1.015 380 HD21 LEU 55 HD21 LEU 55 -7.156 2.138 1.365 381 HD22 LEU 55 HD22 LEU 55 -6.178 2.455 -0.052 382 HD23 LEU 55 HD23 LEU 55 -5.427 1.730 1.387 383 H ARG 56 H ARG 56 -9.402 -1.784 1.690 384 HA ARG 56 HA ARG 56 -9.883 -0.205 4.132 385 HB2 ARG 56 HB2 ARG 56 -10.531 -3.174 3.528 386 HB3 ARG 56 HB3 ARG 56 -10.371 -2.656 5.176 387 HG2 ARG 56 HG2 ARG 56 -12.281 -1.145 4.825 388 HG3 ARG 56 HG3 ARG 56 -12.428 -1.787 3.175 389 HD2 ARG 56 HD2 ARG 56 -12.575 -3.999 4.014 390 HD3 ARG 56 HD3 ARG 56 -12.333 -3.398 5.652 391 HE ARG 56 HE ARG 56 -14.630 -2.104 4.630 392 HH11 ARG 56 HH11 ARG 56 -14.134 -5.582 5.620 393 HH12 ARG 56 HH12 ARG 56 -15.821 -5.807 5.950 394 HH21 ARG 56 HH21 ARG 56 -16.785 -2.547 5.101 395 HH22 ARG 56 HH22 ARG 56 -17.291 -4.108 5.657 396 H VAL 57 H VAL 57 -8.559 -0.736 6.108 397 HA VAL 57 HA VAL 57 -5.723 -0.761 5.928 398 HB VAL 57 HB VAL 57 -7.537 0.060 7.580 399 HG11 VAL 57 HG11 VAL 57 -7.332 -0.907 9.921 400 HG12 VAL 57 HG12 VAL 57 -7.498 -2.407 8.891 401 HG13 VAL 57 HG13 VAL 57 -8.645 -1.041 8.735 402 HG21 VAL 57 HG21 VAL 57 -5.781 1.108 7.816 403 HG22 VAL 57 HG22 VAL 57 -4.747 -0.278 8.263 404 HG23 VAL 57 HG23 VAL 57 -5.862 0.458 9.467 405 H ASN 58 H ASN 58 -7.737 -3.497 6.128 406 HA ASN 58 HA ASN 58 -5.745 -5.446 6.857 407 HB2 ASN 58 HB2 ASN 58 -8.085 -5.248 7.872 408 HB3 ASN 58 HB3 ASN 58 -8.762 -5.868 6.385 409 HD21 ASN 58 HD21 ASN 58 -7.135 -6.684 9.365 410 HD22 ASN 58 HD22 ASN 58 -7.224 -8.403 9.226 411 H ASP 59 H ASP 59 -6.166 -3.899 3.824 412 HA ASP 59 HA ASP 59 -6.322 -6.254 2.083 413 HB2 ASP 59 HB2 ASP 59 -6.521 -3.310 1.490 414 HB3 ASP 59 HB3 ASP 59 -6.068 -4.395 0.181 415 H SER 60 H SER 60 -3.698 -3.984 3.018 416 HA SER 60 HA SER 60 -1.489 -3.678 2.570 417 HB2 SER 60 HB2 SER 60 -1.480 -6.664 3.177 418 HB3 SER 60 HB3 SER 60 -0.005 -5.699 3.159 419 HG SER 60 HG SER 60 -2.058 -4.659 4.697 420 H ILE 61 H ILE 61 -0.141 -3.041 1.029 421 HA ILE 61 HA ILE 61 -0.400 -4.163 -1.688 422 HB ILE 61 HB ILE 61 1.387 -1.626 -1.199 423 HG12 ILE 61 HG12 ILE 61 -1.560 -1.150 -1.977 424 HG13 ILE 61 HG13 ILE 61 -1.194 -1.376 -0.282 425 HG21 ILE 61 HG21 ILE 61 1.486 -2.585 -3.504 426 HG22 ILE 61 HG22 ILE 61 0.773 -0.978 -3.572 427 HG23 ILE 61 HG23 ILE 61 -0.259 -2.401 -3.681 428 HD11 ILE 61 HD11 ILE 61 -1.410 1.034 -0.832 429 HD12 ILE 61 HD12 ILE 61 -0.145 0.855 -2.057 430 HD13 ILE 61 HD13 ILE 61 0.264 0.667 -0.356 431 H LEU 62 H LEU 62 0.979 -5.551 -2.774 432 HA LEU 62 HA LEU 62 3.775 -5.980 -1.881 433 HB2 LEU 62 HB2 LEU 62 3.833 -7.988 -3.332 434 HB3 LEU 62 HB3 LEU 62 2.580 -8.155 -2.102 435 HG LEU 62 HG LEU 62 1.898 -7.533 -5.009 436 HD11 LEU 62 HD11 LEU 62 2.260 -10.183 -3.690 437 HD12 LEU 62 HD12 LEU 62 3.240 -9.493 -5.006 438 HD13 LEU 62 HD13 LEU 62 1.530 -9.908 -5.274 439 HD21 LEU 62 HD21 LEU 62 0.077 -7.290 -3.358 440 HD22 LEU 62 HD22 LEU 62 0.355 -8.950 -2.830 441 HD23 LEU 62 HD23 LEU 62 -0.213 -8.628 -4.469 442 H PHE 63 H PHE 63 2.007 -4.918 -4.764 443 HA PHE 63 HA PHE 63 4.563 -3.808 -5.835 444 HB2 PHE 63 HB2 PHE 63 2.587 -5.459 -7.488 445 HB3 PHE 63 HB3 PHE 63 3.714 -4.380 -8.306 446 HD1 PHE 63 HD1 PHE 63 3.515 -7.409 -6.109 447 HD2 PHE 63 HD2 PHE 63 5.983 -5.110 -8.653 448 HE1 PHE 63 HE1 PHE 63 5.102 -9.227 -6.097 449 HE2 PHE 63 HE2 PHE 63 7.670 -6.847 -8.634 450 HZ PHE 63 HZ PHE 63 7.271 -8.986 -7.373 451 H VAL 64 H VAL 64 4.641 -1.702 -6.525 452 HA VAL 64 HA VAL 64 2.094 -0.106 -6.904 453 HB VAL 64 HB VAL 64 4.615 1.315 -5.643 454 HG11 VAL 64 HG11 VAL 64 1.763 2.332 -5.601 455 HG12 VAL 64 HG12 VAL 64 3.088 2.918 -6.613 456 HG13 VAL 64 HG13 VAL 64 3.161 3.143 -4.865 457 HG21 VAL 64 HG21 VAL 64 3.894 -0.269 -3.912 458 HG22 VAL 64 HG22 VAL 64 2.261 0.392 -3.961 459 HG23 VAL 64 HG23 VAL 64 3.602 1.392 -3.392 460 H ASN 65 H ASN 65 1.810 1.068 -8.725 461 HA ASN 65 HA ASN 65 1.982 1.849 -10.820 462 HB2 ASN 65 HB2 ASN 65 5.081 1.896 -10.450 463 HB3 ASN 65 HB3 ASN 65 4.444 2.279 -12.020 464 HD21 ASN 65 HD21 ASN 65 6.123 3.818 -10.360 465 HD22 ASN 65 HD22 ASN 65 5.322 5.295 -9.960 466 H GLU 66 H GLU 66 2.606 -1.245 -10.128 467 HA GLU 66 HA GLU 66 2.946 -3.286 -10.835 468 HB2 GLU 66 HB2 GLU 66 3.234 -2.316 -13.787 469 HB3 GLU 66 HB3 GLU 66 3.489 -3.997 -13.367 470 HG2 GLU 66 HG2 GLU 66 1.118 -4.127 -12.592 471 HG3 GLU 66 HG3 GLU 66 0.889 -2.451 -13.067 472 H VAL 67 H VAL 67 5.159 -1.190 -10.033 473 HA VAL 67 HA VAL 67 7.505 -2.747 -10.570 474 HB VAL 67 HB VAL 67 8.940 -0.995 -9.752 475 HG11 VAL 67 HG11 VAL 67 8.752 -1.142 -11.924 476 HG12 VAL 67 HG12 VAL 67 8.949 0.596 -11.563 477 HG13 VAL 67 HG13 VAL 67 7.346 -0.060 -12.033 478 HG21 VAL 67 HG21 VAL 67 7.595 0.299 -8.219 479 HG22 VAL 67 HG22 VAL 67 6.687 1.084 -9.561 480 HG23 VAL 67 HG23 VAL 67 8.431 1.410 -9.319 481 H ASP 68 H ASP 68 9.238 -2.917 -8.972 482 HA ASP 68 HA ASP 68 8.084 -4.361 -6.946 483 HB2 ASP 68 HB2 ASP 68 10.356 -5.694 -6.603 484 HB3 ASP 68 HB3 ASP 68 9.503 -5.915 -8.109 485 H VAL 69 H VAL 69 7.586 -3.515 -5.148 486 HA VAL 69 HA VAL 69 9.418 -1.820 -3.666 487 HB VAL 69 HB VAL 69 7.621 -1.020 -2.149 488 HG11 VAL 69 HG11 VAL 69 8.087 0.392 -3.718 489 HG12 VAL 69 HG12 VAL 69 6.342 0.355 -3.512 490 HG13 VAL 69 HG13 VAL 69 7.099 -0.371 -5.002 491 HG21 VAL 69 HG21 VAL 69 5.110 -1.285 -2.854 492 HG22 VAL 69 HG22 VAL 69 5.940 -2.461 -1.867 493 HG23 VAL 69 HG23 VAL 69 5.670 -2.821 -3.604 494 H ARG 70 H ARG 70 8.645 -5.013 -3.513 495 HA ARG 70 HA ARG 70 8.606 -5.931 -0.894 496 HB2 ARG 70 HB2 ARG 70 9.521 -8.171 -1.706 497 HB3 ARG 70 HB3 ARG 70 8.123 -7.576 -2.574 498 HG2 ARG 70 HG2 ARG 70 9.705 -6.960 -4.498 499 HG3 ARG 70 HG3 ARG 70 11.022 -7.680 -3.589 500 HD2 ARG 70 HD2 ARG 70 8.548 -9.220 -4.444 501 HD3 ARG 70 HD3 ARG 70 9.991 -9.113 -5.439 502 HE ARG 70 HE ARG 70 10.712 -10.123 -2.870 503 HH11 ARG 70 HH11 ARG 70 9.020 -11.581 -5.748 504 HH12 ARG 70 HH12 ARG 70 9.464 -13.193 -5.292 505 HH21 ARG 70 HH21 ARG 70 11.213 -12.263 -2.397 506 HH22 ARG 70 HH22 ARG 70 10.689 -13.562 -3.416 507 H GLU 71 H GLU 71 11.591 -4.557 -2.205 508 HA GLU 71 HA GLU 71 12.996 -4.627 0.244 509 HB2 GLU 71 HB2 GLU 71 14.054 -5.988 -2.233 510 HB3 GLU 71 HB3 GLU 71 15.191 -5.118 -1.239 511 HG2 GLU 71 HG2 GLU 71 14.620 -6.703 0.669 512 HG3 GLU 71 HG3 GLU 71 13.499 -7.536 -0.397 513 H VAL 72 H VAL 72 12.095 -2.473 0.096 514 HA VAL 72 HA VAL 72 13.916 -0.485 -0.993 515 HB VAL 72 HB VAL 72 12.382 1.036 -2.080 516 HG11 VAL 72 HG11 VAL 72 11.637 -1.489 -3.342 517 HG12 VAL 72 HG12 VAL 72 12.985 -0.392 -3.687 518 HG13 VAL 72 HG13 VAL 72 11.317 0.119 -4.000 519 HG21 VAL 72 HG21 VAL 72 9.831 -0.457 -1.280 520 HG22 VAL 72 HG22 VAL 72 9.854 0.900 -2.419 521 HG23 VAL 72 HG23 VAL 72 10.336 1.158 -0.751 522 H THR 73 H THR 73 13.814 1.686 0.025 523 HA THR 73 HA THR 73 12.973 1.884 2.841 524 HB THR 73 HB THR 73 13.643 4.455 2.481 525 HG1 THR 73 HG1 THR 73 14.035 3.716 0.038 526 HG21 THR 73 HG21 THR 73 16.022 4.043 2.859 527 HG22 THR 73 HG22 THR 73 15.772 2.321 2.484 528 HG23 THR 73 HG23 THR 73 14.961 3.073 3.881 529 H HIS 74 H HIS 74 11.543 3.734 3.759 530 HA HIS 74 HA HIS 74 8.920 3.913 2.727 531 HB2 HIS 74 HB2 HIS 74 8.237 5.609 4.470 532 HB3 HIS 74 HB3 HIS 74 9.295 4.394 5.149 533 HD1 HIS 74 HD1 HIS 74 11.447 5.317 6.387 534 HD2 HIS 74 HD2 HIS 74 9.284 8.321 4.481 535 HE1 HIS 74 HE1 HIS 74 12.327 7.518 7.320 536 HE2 HIS 74 HE2 HIS 74 11.074 9.291 6.070 537 H SER 75 H SER 75 11.269 6.529 2.390 538 HA SER 75 HA SER 75 9.857 8.398 0.706 539 HB2 SER 75 HB2 SER 75 12.894 8.069 0.986 540 HB3 SER 75 HB3 SER 75 12.141 9.402 0.117 541 HG SER 75 HG SER 75 11.136 10.009 2.092 542 H ALA 76 H ALA 76 11.829 5.567 -0.284 543 HA ALA 76 HA ALA 76 11.767 5.746 -3.148 544 HB1 ALA 76 HB1 ALA 76 13.499 4.512 -1.906 545 HB2 ALA 76 HB2 ALA 76 12.666 3.419 -3.034 546 HB3 ALA 76 HB3 ALA 76 12.262 3.413 -1.308 547 H ALA 77 H ALA 77 9.309 4.509 -0.788 548 HA ALA 77 HA ALA 77 7.630 3.070 -2.726 549 HB1 ALA 77 HB1 ALA 77 7.997 2.076 -0.476 550 HB2 ALA 77 HB2 ALA 77 6.276 2.416 -0.746 551 HB3 ALA 77 HB3 ALA 77 7.256 3.507 0.249 552 H VAL 78 H VAL 78 7.612 6.157 -0.892 553 HA VAL 78 HA VAL 78 4.983 7.245 -1.704 554 HB VAL 78 HB VAL 78 7.375 8.773 -0.317 555 HG11 VAL 78 HG11 VAL 78 5.848 10.508 0.460 556 HG12 VAL 78 HG12 VAL 78 4.481 9.629 -0.207 557 HG13 VAL 78 HG13 VAL 78 5.673 10.375 -1.314 558 HG21 VAL 78 HG21 VAL 78 4.871 7.736 0.910 559 HG22 VAL 78 HG22 VAL 78 6.168 8.586 1.777 560 HG23 VAL 78 HG23 VAL 78 6.462 6.980 1.066 561 H GLU 79 H GLU 79 8.353 7.776 -2.993 562 HA GLU 79 HA GLU 79 7.849 9.642 -5.084 563 HB2 GLU 79 HB2 GLU 79 10.087 7.727 -4.615 564 HB3 GLU 79 HB3 GLU 79 10.120 8.684 -6.085 565 HG2 GLU 79 HG2 GLU 79 10.001 10.769 -4.616 566 HG3 GLU 79 HG3 GLU 79 10.168 9.666 -3.250 567 H ALA 80 H ALA 80 7.280 6.238 -5.054 568 HA ALA 80 HA ALA 80 6.697 5.770 -7.857 569 HB1 ALA 80 HB1 ALA 80 5.782 3.576 -7.113 570 HB2 ALA 80 HB2 ALA 80 5.837 4.118 -5.434 571 HB3 ALA 80 HB3 ALA 80 7.334 3.887 -6.332 572 H LEU 81 H LEU 81 4.748 7.138 -5.056 573 HA LEU 81 HA LEU 81 2.249 7.175 -6.540 574 HB2 LEU 81 HB2 LEU 81 2.754 8.029 -3.632 575 HB3 LEU 81 HB3 LEU 81 1.188 8.006 -4.403 576 HG LEU 81 HG LEU 81 2.593 5.434 -4.411 577 HD11 LEU 81 HD11 LEU 81 2.225 4.917 -2.101 578 HD12 LEU 81 HD12 LEU 81 1.885 6.638 -1.818 579 HD13 LEU 81 HD13 LEU 81 3.458 6.124 -2.458 580 HD21 LEU 81 HD21 LEU 81 0.442 4.521 -3.693 581 HD22 LEU 81 HD22 LEU 81 0.275 5.600 -5.081 582 HD23 LEU 81 HD23 LEU 81 -0.189 6.173 -3.468 583 H LYS 82 H LYS 82 4.548 9.623 -5.249 584 HA LYS 82 HA LYS 82 3.105 11.993 -6.065 585 HB2 LYS 82 HB2 LYS 82 5.846 11.566 -4.841 586 HB3 LYS 82 HB3 LYS 82 5.403 13.155 -5.399 587 HG2 LYS 82 HG2 LYS 82 3.515 13.172 -3.731 588 HG3 LYS 82 HG3 LYS 82 4.027 11.599 -3.141 589 HD2 LYS 82 HD2 LYS 82 6.207 12.517 -2.465 590 HD3 LYS 82 HD3 LYS 82 5.812 14.070 -3.178 591 HE2 LYS 82 HE2 LYS 82 4.196 12.911 -0.891 592 HE3 LYS 82 HE3 LYS 82 5.676 13.807 -0.598 593 HZ1 LYS 82 HZ1 LYS 82 4.658 15.746 -1.680 594 HZ2 LYS 82 HZ2 LYS 82 3.718 15.226 -0.375 595 HZ3 LYS 82 HZ3 LYS 82 3.236 14.868 -1.955 596 H GLU 83 H GLU 83 5.761 10.120 -7.580 597 HA GLU 83 HA GLU 83 6.205 12.093 -9.740 598 HB2 GLU 83 HB2 GLU 83 7.666 9.688 -9.008 599 HB3 GLU 83 HB3 GLU 83 8.043 10.411 -10.579 600 HG2 GLU 83 HG2 GLU 83 8.227 12.515 -9.406 601 HG3 GLU 83 HG3 GLU 83 8.187 11.642 -7.888 602 H ALA 84 H ALA 84 4.249 9.271 -9.756 603 HA ALA 84 HA ALA 84 4.272 8.547 -12.573 604 HB1 ALA 84 HB1 ALA 84 1.817 8.189 -10.807 605 HB2 ALA 84 HB2 ALA 84 3.203 7.108 -10.796 606 HB3 ALA 84 HB3 ALA 84 2.221 7.267 -12.251 607 H GLY 85 H GLY 85 2.613 11.198 -11.064 608 HA2 GLY 85 HA2 GLY 85 2.716 13.347 -12.467 609 HA3 GLY 85 HA3 GLY 85 1.991 12.312 -13.688 610 H SER 86 H SER 86 -0.126 11.159 -12.207 611 HA SER 86 HA SER 86 -2.038 12.860 -10.996 612 HB2 SER 86 HB2 SER 86 -1.977 14.018 -13.249 613 HB3 SER 86 HB3 SER 86 -2.583 12.564 -14.024 614 HG SER 86 HG SER 86 -4.605 12.955 -13.176 615 H ILE 87 H ILE 87 -1.321 9.892 -12.873 616 HA ILE 87 HA ILE 87 -3.574 8.426 -11.675 617 HB ILE 87 HB ILE 87 -2.666 7.818 -14.591 618 HG12 ILE 87 HG12 ILE 87 -3.822 9.978 -14.709 619 HG13 ILE 87 HG13 ILE 87 -4.793 8.834 -15.628 620 HG21 ILE 87 HG21 ILE 87 -3.541 5.759 -13.798 621 HG22 ILE 87 HG22 ILE 87 -4.718 6.378 -14.982 622 HG23 ILE 87 HG23 ILE 87 -5.026 6.547 -13.240 623 HD11 ILE 87 HD11 ILE 87 -5.440 10.100 -12.888 624 HD12 ILE 87 HD12 ILE 87 -6.477 8.948 -13.675 625 HD13 ILE 87 HD13 ILE 87 -6.216 10.534 -14.419 626 H VAL 88 H VAL 88 -3.071 7.028 -10.435 627 HA VAL 88 HA VAL 88 -0.576 5.478 -10.498 628 HB VAL 88 HB VAL 88 -1.271 5.425 -8.102 629 HG11 VAL 88 HG11 VAL 88 0.509 7.704 -9.281 630 HG12 VAL 88 HG12 VAL 88 1.196 6.168 -8.802 631 HG13 VAL 88 HG13 VAL 88 0.753 7.372 -7.580 632 HG21 VAL 88 HG21 VAL 88 -2.242 5.836 -6.837 633 HG22 VAL 88 HG22 VAL 88 -2.513 7.465 -7.465 634 HG23 VAL 88 HG23 VAL 88 -1.118 7.137 -6.445 635 H ARG 89 H ARG 89 -0.554 3.435 -10.481 636 HA ARG 89 HA ARG 89 -2.908 1.815 -9.790 637 HB2 ARG 89 HB2 ARG 89 -2.281 0.026 -11.673 638 HB3 ARG 89 HB3 ARG 89 -2.881 1.536 -12.250 639 HG2 ARG 89 HG2 ARG 89 -0.561 2.151 -12.881 640 HG3 ARG 89 HG3 ARG 89 -0.039 0.543 -12.336 641 HD2 ARG 89 HD2 ARG 89 -1.631 -0.483 -13.771 642 HD3 ARG 89 HD3 ARG 89 -2.211 1.093 -14.287 643 HE ARG 89 HE ARG 89 0.598 0.872 -14.831 644 HH11 ARG 89 HH11 ARG 89 -2.392 -0.331 -16.540 645 HH12 ARG 89 HH12 ARG 89 -1.572 -0.447 -18.061 646 HH21 ARG 89 HH21 ARG 89 1.530 0.671 -16.871 647 HH22 ARG 89 HH22 ARG 89 0.620 0.117 -18.236 648 H LEU 90 H LEU 90 -2.909 0.806 -8.016 649 HA LEU 90 HA LEU 90 -0.536 -0.496 -6.881 650 HB2 LEU 90 HB2 LEU 90 -1.735 -0.287 -4.585 651 HB3 LEU 90 HB3 LEU 90 -1.335 1.245 -5.305 652 HG LEU 90 HG LEU 90 -3.933 1.176 -5.968 653 HD11 LEU 90 HD11 LEU 90 -3.832 -0.571 -3.518 654 HD12 LEU 90 HD12 LEU 90 -4.414 -1.036 -5.116 655 HD13 LEU 90 HD13 LEU 90 -5.300 0.177 -4.172 656 HD21 LEU 90 HD21 LEU 90 -2.750 2.808 -4.677 657 HD22 LEU 90 HD22 LEU 90 -2.872 1.794 -3.235 658 HD23 LEU 90 HD23 LEU 90 -4.339 2.486 -3.964 659 H TYR 91 H TYR 91 -0.398 -2.523 -6.064 660 HA TYR 91 HA TYR 91 -2.496 -4.521 -6.673 661 HB2 TYR 91 HB2 TYR 91 -0.300 -4.548 -8.251 662 HB3 TYR 91 HB3 TYR 91 0.485 -5.152 -6.872 663 HD1 TYR 91 HD1 TYR 91 -2.777 -6.313 -8.472 664 HD2 TYR 91 HD2 TYR 91 1.136 -7.334 -7.171 665 HE1 TYR 91 HE1 TYR 91 -3.269 -8.509 -9.018 666 HE2 TYR 91 HE2 TYR 91 0.750 -9.639 -7.726 667 HH TYR 91 HH TYR 91 -1.942 -10.651 -9.656 668 H VAL 92 H VAL 92 -3.402 -5.258 -5.014 669 HA VAL 92 HA VAL 92 -2.023 -5.659 -2.401 670 HB VAL 92 HB VAL 92 -4.208 -5.431 -1.171 671 HG11 VAL 92 HG11 VAL 92 -3.087 -3.372 -1.449 672 HG12 VAL 92 HG12 VAL 92 -4.832 -3.109 -1.526 673 HG13 VAL 92 HG13 VAL 92 -3.877 -3.102 -3.008 674 HG21 VAL 92 HG21 VAL 92 -5.598 -5.077 -3.864 675 HG22 VAL 92 HG22 VAL 92 -6.422 -4.877 -2.275 676 HG23 VAL 92 HG23 VAL 92 -5.672 -6.430 -2.760 677 H MET 93 H MET 93 -2.862 -7.283 -0.806 678 HA MET 93 HA MET 93 -3.358 -10.031 -1.811 679 HB2 MET 93 HB2 MET 93 -1.451 -11.143 -0.431 680 HB3 MET 93 HB3 MET 93 -0.892 -10.087 -1.704 681 HG2 MET 93 HG2 MET 93 -0.228 -8.385 -0.038 682 HG3 MET 93 HG3 MET 93 -0.852 -9.395 1.264 683 HE1 MET 93 HE1 MET 93 3.045 -9.581 1.756 684 HE2 MET 93 HE2 MET 93 1.503 -9.205 2.523 685 HE3 MET 93 HE3 MET 93 2.109 -8.188 1.215 686 H ARG 94 H ARG 94 -4.983 -11.161 -0.961 687 HA ARG 94 HA ARG 94 -5.781 -10.931 1.858 688 HB2 ARG 94 HB2 ARG 94 -7.246 -9.533 -0.015 689 HB3 ARG 94 HB3 ARG 94 -7.971 -11.100 -0.294 690 HG2 ARG 94 HG2 ARG 94 -8.801 -11.151 2.022 691 HG3 ARG 94 HG3 ARG 94 -7.982 -9.629 2.368 692 HD2 ARG 94 HD2 ARG 94 -9.395 -8.518 0.669 693 HD3 ARG 94 HD3 ARG 94 -10.236 -10.045 0.392 694 HE ARG 94 HE ARG 94 -10.491 -9.610 3.097 695 HH11 ARG 94 HH11 ARG 94 -11.717 -7.526 0.368 696 HH12 ARG 94 HH12 ARG 94 -13.004 -6.885 1.334 697 HH21 ARG 94 HH21 ARG 94 -12.206 -8.691 4.229 698 HH22 ARG 94 HH22 ARG 94 -13.267 -7.541 3.488 699 H ARG 95 H ARG 95 -6.999 -12.784 2.650 700 HA ARG 95 HA ARG 95 -6.448 -15.433 1.436 701 HB2 ARG 95 HB2 ARG 95 -6.684 -14.636 4.351 702 HB3 ARG 95 HB3 ARG 95 -7.067 -16.296 3.928 703 HG2 ARG 95 HG2 ARG 95 -4.813 -16.524 2.958 704 HG3 ARG 95 HG3 ARG 95 -4.421 -14.884 3.491 705 HD2 ARG 95 HD2 ARG 95 -4.857 -15.575 5.829 706 HD3 ARG 95 HD3 ARG 95 -5.204 -17.210 5.257 707 HE ARG 95 HE ARG 95 -2.602 -16.375 4.415 708 HH11 ARG 95 HH11 ARG 95 -4.004 -17.763 7.482 709 HH12 ARG 95 HH12 ARG 95 -2.463 -18.345 8.017 710 HH21 ARG 95 HH21 ARG 95 -0.669 -17.186 5.234 711 HH22 ARG 95 HH22 ARG 95 -0.605 -18.016 6.753 712 H LYS 96 H LYS 96 -7.856 -17.175 1.295 713 HA LYS 96 HA LYS 96 -10.554 -16.715 0.410 714 HB2 LYS 96 HB2 LYS 96 -9.013 -19.327 0.737 715 HB3 LYS 96 HB3 LYS 96 -10.699 -19.355 0.284 716 HG2 LYS 96 HG2 LYS 96 -10.163 -18.148 -1.794 717 HG3 LYS 96 HG3 LYS 96 -8.468 -18.053 -1.311 718 HD2 LYS 96 HD2 LYS 96 -8.294 -20.506 -1.366 719 HD3 LYS 96 HD3 LYS 96 -10.000 -20.645 -1.779 720 HE2 LYS 96 HE2 LYS 96 -7.963 -19.242 -3.551 721 HE3 LYS 96 HE3 LYS 96 -8.296 -20.960 -3.676 722 HZ1 LYS 96 HZ1 LYS 96 -9.528 -19.686 -5.345 723 HZ2 LYS 96 HZ2 LYS 96 -10.277 -18.764 -4.142 724 HZ3 LYS 96 HZ3 LYS 96 -10.609 -20.418 -4.265 725 HA PRO 97 HA PRO 97 -13.106 -17.326 4.367 726 HB2 PRO 97 HB2 PRO 97 -15.581 -16.843 2.792 727 HB3 PRO 97 HB3 PRO 97 -14.918 -15.896 4.123 728 HG2 PRO 97 HG2 PRO 97 -14.925 -14.954 1.600 729 HG3 PRO 97 HG3 PRO 97 -13.585 -14.607 2.708 730 HD2 PRO 97 HD2 PRO 97 -13.745 -16.686 0.529 731 HD3 PRO 97 HD3 PRO 97 -12.443 -15.522 0.864 732 HA PRO 98 HA PRO 98 -14.687 -21.840 4.125 733 HB2 PRO 98 HB2 PRO 98 -15.879 -21.543 6.852 734 HB3 PRO 98 HB3 PRO 98 -14.637 -22.667 6.298 735 HG2 PRO 98 HG2 PRO 98 -13.995 -20.635 7.907 736 HG3 PRO 98 HG3 PRO 98 -12.919 -21.102 6.577 737 HD2 PRO 98 HD2 PRO 98 -14.919 -18.845 6.677 738 HD3 PRO 98 HD3 PRO 98 -13.213 -18.798 6.172 739 H ALA 99 H ALA 99 -17.165 -19.349 5.117 740 HA ALA 99 HA ALA 99 -19.401 -20.908 4.001 741 HB1 ALA 99 HB1 ALA 99 -20.979 -19.726 5.512 742 HB2 ALA 99 HB2 ALA 99 -19.676 -18.703 6.112 743 HB3 ALA 99 HB3 ALA 99 -19.668 -20.429 6.465 744 H1 VAL 1 H1 VAL 1 10.364 -3.131 19.057 745 H2 VAL 1 H2 VAL 1 9.381 -1.779 18.802 746 H3 VAL 1 H3 VAL 1 10.430 -2.300 17.583 747 HA VAL 1 HA VAL 1 9.287 -4.193 17.182 748 HB VAL 1 HB VAL 1 8.882 -4.475 19.506 749 HG11 VAL 1 HG11 VAL 1 7.596 -2.901 20.583 750 HG12 VAL 1 HG12 VAL 1 6.605 -4.352 20.722 751 HG13 VAL 1 HG13 VAL 1 6.212 -3.135 19.510 752 HG21 VAL 1 HG21 VAL 1 6.766 -5.714 17.774 753 HG22 VAL 1 HG22 VAL 1 6.981 -6.254 19.441 754 HG23 VAL 1 HG23 VAL 1 8.314 -6.388 18.291 755 H VAL 2 H VAL 2 7.220 -1.332 18.060 756 HA VAL 2 HA VAL 2 6.755 -1.116 15.230 757 HB VAL 2 HB VAL 2 4.664 0.476 15.559 758 HG11 VAL 2 HG11 VAL 2 3.048 -1.367 15.764 759 HG12 VAL 2 HG12 VAL 2 4.363 -2.396 16.363 760 HG13 VAL 2 HG13 VAL 2 4.440 -1.769 14.736 761 HG21 VAL 2 HG21 VAL 2 4.607 -0.722 18.383 762 HG22 VAL 2 HG22 VAL 2 3.292 0.204 17.660 763 HG23 VAL 2 HG23 VAL 2 4.833 0.990 18.007 764 H SER 3 H SER 3 8.735 -0.669 15.149 765 HA SER 3 HA SER 3 10.144 1.705 15.695 766 HB2 SER 3 HB2 SER 3 10.813 -0.485 13.777 767 HB3 SER 3 HB3 SER 3 11.912 0.850 14.104 768 HG SER 3 HG SER 3 12.528 -0.466 15.659 769 H GLU 4 H GLU 4 7.682 2.309 13.868 770 HA GLU 4 HA GLU 4 8.951 4.337 12.190 771 HB2 GLU 4 HB2 GLU 4 6.923 4.314 10.578 772 HB3 GLU 4 HB3 GLU 4 7.924 2.887 10.764 773 HG2 GLU 4 HG2 GLU 4 5.357 3.070 10.414 774 HG3 GLU 4 HG3 GLU 4 6.148 1.574 11.087 775 H ARG 5 H ARG 5 8.039 6.422 11.707 776 HA ARG 5 HA ARG 5 6.628 7.831 13.832 777 HB2 ARG 5 HB2 ARG 5 7.297 10.007 12.563 778 HB3 ARG 5 HB3 ARG 5 8.640 9.056 13.134 779 HG2 ARG 5 HG2 ARG 5 8.979 8.238 10.713 780 HG3 ARG 5 HG3 ARG 5 7.701 9.333 10.220 781 HD2 ARG 5 HD2 ARG 5 10.246 10.248 11.597 782 HD3 ARG 5 HD3 ARG 5 10.108 10.114 9.852 783 HE ARG 5 HE ARG 5 8.008 11.789 10.758 784 HH11 ARG 5 HH11 ARG 5 11.608 12.301 10.536 785 HH12 ARG 5 HH12 ARG 5 11.435 14.021 10.430 786 HH21 ARG 5 HH21 ARG 5 7.933 14.028 10.613 787 HH22 ARG 5 HH22 ARG 5 9.376 14.978 10.476 788 H ILE 6 H ILE 6 5.857 6.712 10.563 789 HA ILE 6 HA ILE 6 4.337 6.834 9.047 790 HB ILE 6 HB ILE 6 3.310 5.073 10.580 791 HG12 ILE 6 HG12 ILE 6 1.150 4.591 9.769 792 HG13 ILE 6 HG13 ILE 6 0.774 6.239 9.187 793 HG21 ILE 6 HG21 ILE 6 2.690 6.190 12.540 794 HG22 ILE 6 HG22 ILE 6 1.276 5.335 11.902 795 HG23 ILE 6 HG23 ILE 6 1.407 7.082 11.698 796 HD11 ILE 6 HD11 ILE 6 1.041 4.721 7.316 797 HD12 ILE 6 HD12 ILE 6 2.389 3.918 8.033 798 HD13 ILE 6 HD13 ILE 6 2.583 5.539 7.382 799 H SER 7 H SER 7 4.730 8.371 8.073 800 HA SER 7 HA SER 7 2.997 10.878 7.996 801 HB2 SER 7 HB2 SER 7 6.071 10.871 7.747 802 HB3 SER 7 HB3 SER 7 5.096 12.296 7.414 803 HG SER 7 HG SER 7 4.869 10.943 9.883 804 H SER 8 H SER 8 2.969 8.444 6.121 805 HA SER 8 HA SER 8 3.885 9.324 3.457 806 HB2 SER 8 HB2 SER 8 3.009 6.508 4.347 807 HB3 SER 8 HB3 SER 8 3.673 6.983 2.804 808 HG SER 8 HG SER 8 5.620 6.975 3.581 809 H VAL 9 H VAL 9 2.425 8.095 1.436 810 HA VAL 9 HA VAL 9 -0.415 9.077 1.517 811 HB VAL 9 HB VAL 9 1.209 8.770 -1.247 812 HG11 VAL 9 HG11 VAL 9 -1.259 9.148 -1.532 813 HG12 VAL 9 HG12 VAL 9 -0.378 10.506 -2.196 814 HG13 VAL 9 HG13 VAL 9 -1.162 10.664 -0.664 815 HG21 VAL 9 HG21 VAL 9 2.534 10.486 0.012 816 HG22 VAL 9 HG22 VAL 9 1.064 11.444 0.248 817 HG23 VAL 9 HG23 VAL 9 1.704 11.216 -1.371 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 -7.757 -29.730 4.046 2 H2 GLY 1 H2 GLY 1 -7.053 -29.855 5.578 3 H3 GLY 1 H3 GLY 1 -7.771 -31.210 4.867 4 HA2 GLY 1 HA2 GLY 1 -5.371 -31.369 4.720 5 HA3 GLY 1 HA3 GLY 1 -6.099 -31.236 3.126 6 H ALA 2 H ALA 2 -5.516 -29.634 1.753 7 HA ALA 2 HA ALA 2 -3.670 -27.491 2.644 8 HB1 ALA 2 HB1 ALA 2 -2.549 -29.153 1.118 9 HB2 ALA 2 HB2 ALA 2 -2.585 -27.532 0.412 10 HB3 ALA 2 HB3 ALA 2 -3.726 -28.752 -0.142 11 H MET 3 H MET 3 -4.217 -25.424 2.531 12 HA MET 3 HA MET 3 -6.298 -24.448 0.682 13 HB2 MET 3 HB2 MET 3 -5.857 -23.582 3.573 14 HB3 MET 3 HB3 MET 3 -6.607 -22.468 2.450 15 HG2 MET 3 HG2 MET 3 -8.428 -23.437 3.508 16 HG3 MET 3 HG3 MET 3 -8.317 -24.307 2.011 17 HE1 MET 3 HE1 MET 3 -8.427 -24.733 5.958 18 HE2 MET 3 HE2 MET 3 -6.679 -24.827 5.750 19 HE3 MET 3 HE3 MET 3 -7.587 -26.263 6.222 20 H GLU 4 H GLU 4 -6.194 -22.599 -0.441 21 HA GLU 4 HA GLU 4 -3.554 -21.268 -0.814 22 HB2 GLU 4 HB2 GLU 4 -5.651 -21.739 -3.047 23 HB3 GLU 4 HB3 GLU 4 -4.221 -20.747 -3.202 24 HG2 GLU 4 HG2 GLU 4 -2.748 -22.702 -2.976 25 HG3 GLU 4 HG3 GLU 4 -4.130 -23.751 -2.701 26 H MET 5 H MET 5 -3.607 -19.023 -1.905 27 HA MET 5 HA MET 5 -5.489 -17.183 -0.610 28 HB2 MET 5 HB2 MET 5 -3.569 -15.403 -0.673 29 HB3 MET 5 HB3 MET 5 -3.345 -16.714 0.459 30 HG2 MET 5 HG2 MET 5 -1.876 -17.742 -1.295 31 HG3 MET 5 HG3 MET 5 -1.917 -16.245 -2.181 32 HE1 MET 5 HE1 MET 5 1.713 -16.228 -0.483 33 HE2 MET 5 HE2 MET 5 0.837 -16.186 -2.014 34 HE3 MET 5 HE3 MET 5 0.827 -17.651 -1.032 35 H GLU 6 H GLU 6 -5.758 -14.960 -1.578 36 HA GLU 6 HA GLU 6 -6.117 -14.885 -4.485 37 HB2 GLU 6 HB2 GLU 6 -8.552 -13.951 -4.425 38 HB3 GLU 6 HB3 GLU 6 -8.423 -15.617 -3.936 39 HG2 GLU 6 HG2 GLU 6 -8.817 -14.956 -1.556 40 HG3 GLU 6 HG3 GLU 6 -8.816 -13.259 -2.010 41 H TYR 7 H TYR 7 -5.491 -13.205 -5.585 42 HA TYR 7 HA TYR 7 -4.674 -10.703 -4.203 43 HB2 TYR 7 HB2 TYR 7 -3.645 -11.764 -6.904 44 HB3 TYR 7 HB3 TYR 7 -3.090 -10.320 -6.137 45 HD1 TYR 7 HD1 TYR 7 -2.963 -14.070 -5.782 46 HD2 TYR 7 HD2 TYR 7 -1.341 -10.334 -4.581 47 HE1 TYR 7 HE1 TYR 7 -1.110 -15.261 -4.784 48 HE2 TYR 7 HE2 TYR 7 0.631 -11.512 -3.588 49 HH TYR 7 HH TYR 7 1.280 -14.796 -4.167 50 H GLU 8 H GLU 8 -5.056 -8.601 -4.930 51 HA GLU 8 HA GLU 8 -7.122 -8.166 -7.040 52 HB2 GLU 8 HB2 GLU 8 -8.063 -8.121 -4.518 53 HB3 GLU 8 HB3 GLU 8 -7.312 -6.547 -4.421 54 HG2 GLU 8 HG2 GLU 8 -8.850 -5.713 -6.209 55 HG3 GLU 8 HG3 GLU 8 -9.576 -7.308 -6.326 56 H GLU 9 H GLU 9 -6.767 -6.586 -8.525 57 HA GLU 9 HA GLU 9 -4.703 -4.582 -8.103 58 HB2 GLU 9 HB2 GLU 9 -4.361 -4.412 -10.662 59 HB3 GLU 9 HB3 GLU 9 -3.949 -5.956 -9.955 60 HG2 GLU 9 HG2 GLU 9 -5.997 -6.985 -10.970 61 HG3 GLU 9 HG3 GLU 9 -6.464 -5.424 -11.628 62 H ILE 10 H ILE 10 -5.195 -2.501 -7.659 63 HA ILE 10 HA ILE 10 -7.769 -1.382 -8.611 64 HB ILE 10 HB ILE 10 -6.264 -0.703 -5.948 65 HG12 ILE 10 HG12 ILE 10 -9.095 -1.694 -5.664 66 HG13 ILE 10 HG13 ILE 10 -7.947 -2.882 -6.258 67 HG21 ILE 10 HG21 ILE 10 -7.335 1.392 -6.531 68 HG22 ILE 10 HG22 ILE 10 -8.181 0.744 -5.147 69 HG23 ILE 10 HG23 ILE 10 -8.934 0.640 -6.761 70 HD11 ILE 10 HD11 ILE 10 -8.075 -3.170 -3.830 71 HD12 ILE 10 HD12 ILE 10 -7.872 -1.422 -3.599 72 HD13 ILE 10 HD13 ILE 10 -6.528 -2.364 -4.208 73 H THR 11 H THR 11 -7.855 0.524 -9.732 74 HA THR 11 HA THR 11 -5.479 2.251 -10.062 75 HB THR 11 HB THR 11 -7.488 2.091 -12.448 76 HG1 THR 11 HG1 THR 11 -6.863 -0.020 -12.506 77 HG21 THR 11 HG21 THR 11 -5.707 3.875 -12.514 78 HG22 THR 11 HG22 THR 11 -5.499 2.726 -13.843 79 HG23 THR 11 HG23 THR 11 -4.481 2.619 -12.401 80 H LEU 12 H LEU 12 -5.663 4.167 -9.238 81 HA LEU 12 HA LEU 12 -8.253 5.502 -8.713 82 HB2 LEU 12 HB2 LEU 12 -6.316 4.613 -6.755 83 HB3 LEU 12 HB3 LEU 12 -6.094 6.327 -6.834 84 HG LEU 12 HG LEU 12 -7.375 5.898 -4.913 85 HD11 LEU 12 HD11 LEU 12 -9.416 6.977 -6.803 86 HD12 LEU 12 HD12 LEU 12 -8.259 7.865 -5.814 87 HD13 LEU 12 HD13 LEU 12 -9.564 6.964 -5.044 88 HD21 LEU 12 HD21 LEU 12 -9.503 4.634 -4.758 89 HD22 LEU 12 HD22 LEU 12 -8.122 3.642 -5.226 90 HD23 LEU 12 HD23 LEU 12 -9.295 4.148 -6.442 91 H GLU 13 H GLU 13 -8.463 7.702 -9.020 92 HA GLU 13 HA GLU 13 -6.385 9.299 -10.426 93 HB2 GLU 13 HB2 GLU 13 -9.362 10.039 -9.890 94 HB3 GLU 13 HB3 GLU 13 -8.245 11.038 -10.793 95 HG2 GLU 13 HG2 GLU 13 -8.223 9.415 -12.601 96 HG3 GLU 13 HG3 GLU 13 -9.186 8.307 -11.635 97 H ARG 14 H ARG 14 -5.178 10.774 -9.402 98 HA ARG 14 HA ARG 14 -4.872 10.823 -6.624 99 HB2 ARG 14 HB2 ARG 14 -3.353 12.055 -8.828 100 HB3 ARG 14 HB3 ARG 14 -3.057 12.790 -7.240 101 HG2 ARG 14 HG2 ARG 14 -2.482 10.391 -6.492 102 HG3 ARG 14 HG3 ARG 14 -2.562 9.946 -8.191 103 HD2 ARG 14 HD2 ARG 14 -0.263 10.313 -7.777 104 HD3 ARG 14 HD3 ARG 14 -0.801 11.777 -8.586 105 HE ARG 14 HE ARG 14 -0.792 11.940 -5.661 106 HH11 ARG 14 HH11 ARG 14 1.372 12.813 -8.452 107 HH12 ARG 14 HH12 ARG 14 2.335 13.870 -7.473 108 HH21 ARG 14 HH21 ARG 14 0.537 13.339 -4.514 109 HH22 ARG 14 HH22 ARG 14 1.860 14.158 -5.273 110 H GLY 15 H GLY 15 -5.628 11.610 -4.983 111 HA2 GLY 15 HA2 GLY 15 -7.649 13.685 -4.822 112 HA3 GLY 15 HA3 GLY 15 -6.923 12.883 -3.457 113 H ASN 16 H ASN 16 -7.856 15.554 -3.431 114 HA ASN 16 HA ASN 16 -5.840 17.573 -3.773 115 HB2 ASN 16 HB2 ASN 16 -7.520 19.239 -2.714 116 HB3 ASN 16 HB3 ASN 16 -8.095 18.396 -4.123 117 HD21 ASN 16 HD21 ASN 16 -10.251 18.812 -3.681 118 HD22 ASN 16 HD22 ASN 16 -11.144 18.120 -2.373 119 H SER 17 H SER 17 -6.623 15.718 -0.902 120 HA SER 17 HA SER 17 -4.717 17.082 0.888 121 HB2 SER 17 HB2 SER 17 -6.739 14.847 1.464 122 HB3 SER 17 HB3 SER 17 -5.625 15.471 2.675 123 HG SER 17 HG SER 17 -6.676 17.609 2.002 124 H GLY 18 H GLY 18 -4.761 14.171 -1.242 125 HA2 GLY 18 HA2 GLY 18 -2.639 13.156 -1.917 126 HA3 GLY 18 HA3 GLY 18 -2.187 13.107 -0.214 127 H LEU 19 H LEU 19 -4.910 12.168 -2.346 128 HA LEU 19 HA LEU 19 -6.487 10.695 -2.495 129 HB2 LEU 19 HB2 LEU 19 -4.338 8.633 -1.709 130 HB3 LEU 19 HB3 LEU 19 -5.994 8.093 -2.081 131 HG LEU 19 HG LEU 19 -4.720 7.503 -3.798 132 HD11 LEU 19 HD11 LEU 19 -5.734 9.961 -4.912 133 HD12 LEU 19 HD12 LEU 19 -6.434 8.341 -4.854 134 HD13 LEU 19 HD13 LEU 19 -4.987 8.644 -5.829 135 HD21 LEU 19 HD21 LEU 19 -3.035 9.976 -3.804 136 HD22 LEU 19 HD22 LEU 19 -2.751 8.486 -4.749 137 HD23 LEU 19 HD23 LEU 19 -2.703 8.475 -2.978 138 H GLY 20 H GLY 20 -5.560 9.226 0.613 139 HA2 GLY 20 HA2 GLY 20 -7.171 10.310 2.469 140 HA3 GLY 20 HA3 GLY 20 -8.324 9.353 1.558 141 H PHE 21 H PHE 21 -4.836 8.474 2.255 142 HA PHE 21 HA PHE 21 -5.320 6.764 4.439 143 HB2 PHE 21 HB2 PHE 21 -4.629 4.566 3.415 144 HB3 PHE 21 HB3 PHE 21 -5.982 5.177 2.549 145 HD1 PHE 21 HD1 PHE 21 -5.357 6.368 0.024 146 HD2 PHE 21 HD2 PHE 21 -2.831 3.647 2.239 147 HE1 PHE 21 HE1 PHE 21 -4.215 5.745 -2.039 148 HE2 PHE 21 HE2 PHE 21 -1.672 3.048 0.128 149 HZ PHE 21 HZ PHE 21 -2.365 4.102 -2.003 150 H SER 22 H SER 22 -2.864 5.713 5.235 151 HA SER 22 HA SER 22 -0.584 7.012 3.984 152 HB2 SER 22 HB2 SER 22 -0.951 6.982 7.038 153 HB3 SER 22 HB3 SER 22 0.506 7.403 6.111 154 HG SER 22 HG SER 22 -1.337 9.077 6.887 155 H ILE 23 H ILE 23 1.481 5.874 4.078 156 HA ILE 23 HA ILE 23 1.313 3.072 4.867 157 HB ILE 23 HB ILE 23 2.681 2.294 2.812 158 HG12 ILE 23 HG12 ILE 23 1.726 3.302 0.573 159 HG13 ILE 23 HG13 ILE 23 1.244 4.693 1.522 160 HG21 ILE 23 HG21 ILE 23 0.777 1.365 3.402 161 HG22 ILE 23 HG22 ILE 23 0.342 1.885 1.710 162 HG23 ILE 23 HG23 ILE 23 -0.052 2.867 3.183 163 HD11 ILE 23 HD11 ILE 23 3.200 5.248 0.174 164 HD12 ILE 23 HD12 ILE 23 4.099 3.870 0.775 165 HD13 ILE 23 HD13 ILE 23 3.710 5.216 1.860 166 H ALA 24 H ALA 24 2.577 1.788 5.738 167 HA ALA 24 HA ALA 24 5.181 2.881 6.641 168 HB1 ALA 24 HB1 ALA 24 4.864 1.660 8.823 169 HB2 ALA 24 HB2 ALA 24 3.368 0.949 8.236 170 HB3 ALA 24 HB3 ALA 24 3.447 2.675 8.512 171 H GLY 25 H GLY 25 6.941 1.992 5.983 172 HA2 GLY 25 HA2 GLY 25 7.551 -0.799 5.565 173 HA3 GLY 25 HA3 GLY 25 7.288 0.033 4.044 174 H GLY 26 H GLY 26 9.714 -1.166 4.549 175 HA2 GLY 26 HA2 GLY 26 11.781 0.716 4.376 176 HA3 GLY 26 HA3 GLY 26 11.605 0.462 6.086 177 H THR 27 H THR 27 13.765 0.073 4.023 178 HA THR 27 HA THR 27 14.677 -2.577 4.895 179 HB THR 27 HB THR 27 16.843 -2.043 3.385 180 HG1 THR 27 HG1 THR 27 16.784 -0.570 1.963 181 HG21 THR 27 HG21 THR 27 15.807 -3.127 1.408 182 HG22 THR 27 HG22 THR 27 14.220 -2.869 2.137 183 HG23 THR 27 HG23 THR 27 15.396 -3.915 2.931 184 H ASP 28 H ASP 28 15.605 0.838 5.281 185 HA ASP 28 HA ASP 28 17.634 0.165 7.283 186 HB2 ASP 28 HB2 ASP 28 17.309 2.796 5.723 187 HB3 ASP 28 HB3 ASP 28 18.332 2.720 7.142 188 H ASN 29 H ASN 29 14.541 1.943 6.916 189 HA ASN 29 HA ASN 29 14.345 2.601 9.750 190 HB2 ASN 29 HB2 ASN 29 12.977 4.000 7.352 191 HB3 ASN 29 HB3 ASN 29 12.358 4.236 8.975 192 HD21 ASN 29 HD21 ASN 29 14.945 4.946 6.727 193 HD22 ASN 29 HD22 ASN 29 15.720 6.175 7.662 194 HA PRO 30 HA PRO 30 11.471 -1.209 10.079 195 HB2 PRO 30 HB2 PRO 30 11.604 -1.076 12.988 196 HB3 PRO 30 HB3 PRO 30 12.272 -2.268 11.899 197 HG2 PRO 30 HG2 PRO 30 13.873 -0.564 13.340 198 HG3 PRO 30 HG3 PRO 30 14.354 -1.298 11.804 199 HD2 PRO 30 HD2 PRO 30 13.389 1.500 12.344 200 HD3 PRO 30 HD3 PRO 30 14.638 0.917 11.239 201 H HIS 31 H HIS 31 9.304 -1.886 10.708 202 HA HIS 31 HA HIS 31 7.674 0.012 12.198 203 HB2 HIS 31 HB2 HIS 31 6.769 -0.279 9.802 204 HB3 HIS 31 HB3 HIS 31 6.472 -1.975 10.140 205 HD1 HIS 31 HD1 HIS 31 5.205 1.472 11.370 206 HD2 HIS 31 HD2 HIS 31 3.907 -2.484 11.194 207 HE1 HIS 31 HE1 HIS 31 2.876 1.473 12.326 208 HE2 HIS 31 HE2 HIS 31 2.109 -0.919 12.161 209 H ILE 32 H ILE 32 8.444 -3.627 12.148 210 HA ILE 32 HA ILE 32 7.208 -3.842 14.721 211 HB ILE 32 HB ILE 32 5.646 -4.608 12.891 212 HG12 ILE 32 HG12 ILE 32 5.079 -7.043 13.917 213 HG13 ILE 32 HG13 ILE 32 6.355 -6.421 14.997 214 HG21 ILE 32 HG21 ILE 32 5.663 -6.791 11.757 215 HG22 ILE 32 HG22 ILE 32 7.354 -6.994 12.246 216 HG23 ILE 32 HG23 ILE 32 6.887 -5.645 11.203 217 HD11 ILE 32 HD11 ILE 32 3.942 -6.021 15.891 218 HD12 ILE 32 HD12 ILE 32 3.766 -4.885 14.530 219 HD13 ILE 32 HD13 ILE 32 4.993 -4.603 15.760 220 H GLY 33 H GLY 33 10.050 -3.536 14.004 221 HA2 GLY 33 HA2 GLY 33 11.594 -4.452 15.952 222 HA3 GLY 33 HA3 GLY 33 11.461 -5.934 15.027 223 H ASP 34 H ASP 34 12.013 -5.679 12.619 224 HA ASP 34 HA ASP 34 13.879 -3.817 11.575 225 HB2 ASP 34 HB2 ASP 34 16.045 -5.256 11.411 226 HB3 ASP 34 HB3 ASP 34 15.512 -4.889 13.051 227 H ASP 35 H ASP 35 11.298 -5.272 10.713 228 HA ASP 35 HA ASP 35 11.790 -7.209 8.681 229 HB2 ASP 35 HB2 ASP 35 9.278 -5.982 9.812 230 HB3 ASP 35 HB3 ASP 35 9.176 -6.922 8.342 231 HA PRO 36 HA PRO 36 12.228 -4.719 4.733 232 HB2 PRO 36 HB2 PRO 36 11.925 -7.177 3.105 233 HB3 PRO 36 HB3 PRO 36 13.338 -6.145 3.314 234 HG2 PRO 36 HG2 PRO 36 13.259 -8.624 4.350 235 HG3 PRO 36 HG3 PRO 36 14.053 -7.294 5.214 236 HD2 PRO 36 HD2 PRO 36 11.290 -8.425 5.628 237 HD3 PRO 36 HD3 PRO 36 12.554 -8.113 6.840 238 H SER 37 H SER 37 9.152 -6.517 5.103 239 HA SER 37 HA SER 37 7.844 -5.793 2.588 240 HB2 SER 37 HB2 SER 37 7.490 -8.041 3.753 241 HB3 SER 37 HB3 SER 37 6.620 -7.205 5.029 242 HG SER 37 HG SER 37 5.217 -6.473 3.145 243 H ILE 38 H ILE 38 6.060 -4.375 2.135 244 HA ILE 38 HA ILE 38 5.591 -2.166 4.029 245 HB ILE 38 HB ILE 38 4.701 -1.840 1.097 246 HG12 ILE 38 HG12 ILE 38 6.939 -2.035 0.033 247 HG13 ILE 38 HG13 ILE 38 6.998 -0.459 0.613 248 HG21 ILE 38 HG21 ILE 38 5.585 0.358 2.920 249 HG22 ILE 38 HG22 ILE 38 3.967 -0.012 2.327 250 HG23 ILE 38 HG23 ILE 38 5.195 0.584 1.212 251 HD11 ILE 38 HD11 ILE 38 8.539 -0.849 2.377 252 HD12 ILE 38 HD12 ILE 38 9.146 -1.719 0.952 253 HD13 ILE 38 HD13 ILE 38 8.353 -2.602 2.234 254 H PHE 39 H PHE 39 3.747 -1.761 5.043 255 HA PHE 39 HA PHE 39 1.228 -3.272 4.641 256 HB2 PHE 39 HB2 PHE 39 2.468 -4.564 6.265 257 HB3 PHE 39 HB3 PHE 39 3.131 -3.165 7.044 258 HD1 PHE 39 HD1 PHE 39 -0.393 -4.738 6.766 259 HD2 PHE 39 HD2 PHE 39 2.687 -3.191 9.274 260 HE1 PHE 39 HE1 PHE 39 -1.747 -5.270 8.765 261 HE2 PHE 39 HE2 PHE 39 1.370 -3.743 11.268 262 HZ PHE 39 HZ PHE 39 -0.871 -4.775 11.017 263 H ILE 40 H ILE 40 -0.872 -2.235 5.314 264 HA ILE 40 HA ILE 40 -0.893 0.632 5.744 265 HB ILE 40 HB ILE 40 -3.520 -0.884 5.814 266 HG12 ILE 40 HG12 ILE 40 -2.627 -2.124 3.807 267 HG13 ILE 40 HG13 ILE 40 -3.942 -1.108 3.300 268 HG21 ILE 40 HG21 ILE 40 -3.847 1.451 6.037 269 HG22 ILE 40 HG22 ILE 40 -4.590 0.904 4.546 270 HG23 ILE 40 HG23 ILE 40 -3.057 1.780 4.477 271 HD11 ILE 40 HD11 ILE 40 -2.152 -1.118 1.588 272 HD12 ILE 40 HD12 ILE 40 -1.014 -0.618 2.922 273 HD13 ILE 40 HD13 ILE 40 -2.267 0.476 2.440 274 H THR 41 H THR 41 -1.791 1.672 7.344 275 HA THR 41 HA THR 41 -2.646 0.581 9.897 276 HB THR 41 HB THR 41 -0.977 2.086 11.340 277 HG1 THR 41 HG1 THR 41 0.136 2.458 9.004 278 HG21 THR 41 HG21 THR 41 -0.009 -0.523 10.172 279 HG22 THR 41 HG22 THR 41 -1.046 -0.353 11.599 280 HG23 THR 41 HG23 THR 41 0.628 0.229 11.626 281 H LYS 42 H LYS 42 -2.405 3.557 7.840 282 HA LYS 42 HA LYS 42 -4.376 4.779 9.633 283 HB2 LYS 42 HB2 LYS 42 -1.882 5.869 9.399 284 HB3 LYS 42 HB3 LYS 42 -2.573 6.587 7.968 285 HG2 LYS 42 HG2 LYS 42 -4.083 7.011 10.487 286 HG3 LYS 42 HG3 LYS 42 -2.493 7.777 10.376 287 HD2 LYS 42 HD2 LYS 42 -3.220 8.964 8.345 288 HD3 LYS 42 HD3 LYS 42 -4.778 8.133 8.424 289 HE2 LYS 42 HE2 LYS 42 -5.356 9.211 10.431 290 HE3 LYS 42 HE3 LYS 42 -3.716 9.871 10.627 291 HZ1 LYS 42 HZ1 LYS 42 -4.145 11.249 8.665 292 HZ2 LYS 42 HZ2 LYS 42 -5.294 11.553 9.869 293 HZ3 LYS 42 HZ3 LYS 42 -5.704 10.601 8.532 294 H ILE 43 H ILE 43 -6.319 5.104 8.866 295 HA ILE 43 HA ILE 43 -6.808 5.598 6.055 296 HB ILE 43 HB ILE 43 -8.563 3.807 7.906 297 HG12 ILE 43 HG12 ILE 43 -6.915 2.262 6.919 298 HG13 ILE 43 HG13 ILE 43 -8.404 1.882 6.199 299 HG21 ILE 43 HG21 ILE 43 -9.694 4.624 5.236 300 HG22 ILE 43 HG22 ILE 43 -10.325 4.983 6.843 301 HG23 ILE 43 HG23 ILE 43 -10.363 3.315 6.235 302 HD11 ILE 43 HD11 ILE 43 -7.660 3.011 4.027 303 HD12 ILE 43 HD12 ILE 43 -6.539 1.736 4.550 304 HD13 ILE 43 HD13 ILE 43 -6.137 3.413 4.828 305 H ILE 44 H ILE 44 -7.797 7.573 5.612 306 HA ILE 44 HA ILE 44 -8.899 9.259 7.680 307 HB ILE 44 HB ILE 44 -8.309 9.923 4.642 308 HG12 ILE 44 HG12 ILE 44 -6.657 11.683 5.493 309 HG13 ILE 44 HG13 ILE 44 -6.864 10.993 7.112 310 HG21 ILE 44 HG21 ILE 44 -10.163 11.374 5.197 311 HG22 ILE 44 HG22 ILE 44 -8.672 12.317 4.954 312 HG23 ILE 44 HG23 ILE 44 -9.265 11.998 6.600 313 HD11 ILE 44 HD11 ILE 44 -5.873 8.985 6.312 314 HD12 ILE 44 HD12 ILE 44 -4.760 10.356 6.012 315 HD13 ILE 44 HD13 ILE 44 -5.748 9.651 4.688 316 HA PRO 45 HA PRO 45 -13.369 7.807 7.289 317 HB2 PRO 45 HB2 PRO 45 -14.175 10.319 8.737 318 HB3 PRO 45 HB3 PRO 45 -14.493 8.637 9.163 319 HG2 PRO 45 HG2 PRO 45 -12.698 10.020 10.543 320 HG3 PRO 45 HG3 PRO 45 -12.357 8.338 10.094 321 HD2 PRO 45 HD2 PRO 45 -11.365 10.871 8.762 322 HD3 PRO 45 HD3 PRO 45 -10.425 9.452 9.236 323 H GLY 46 H GLY 46 -12.542 10.997 5.941 324 HA2 GLY 46 HA2 GLY 46 -14.731 10.857 3.959 325 HA3 GLY 46 HA3 GLY 46 -14.330 12.392 4.715 326 H GLY 47 H GLY 47 -11.961 9.852 3.474 327 HA2 GLY 47 HA2 GLY 47 -10.778 11.650 1.477 328 HA3 GLY 47 HA3 GLY 47 -10.153 10.104 2.002 329 H ALA 48 H ALA 48 -9.784 10.273 -0.501 330 HA ALA 48 HA ALA 48 -11.952 9.670 -2.324 331 HB1 ALA 48 HB1 ALA 48 -10.304 10.009 -4.158 332 HB2 ALA 48 HB2 ALA 48 -8.977 9.982 -2.980 333 HB3 ALA 48 HB3 ALA 48 -10.121 11.284 -2.949 334 H ALA 49 H ALA 49 -9.205 7.638 -1.045 335 HA ALA 49 HA ALA 49 -9.807 5.265 -2.622 336 HB1 ALA 49 HB1 ALA 49 -7.953 4.207 -1.559 337 HB2 ALA 49 HB2 ALA 49 -7.853 5.488 -0.333 338 HB3 ALA 49 HB3 ALA 49 -7.505 5.848 -2.039 339 H ALA 50 H ALA 50 -10.818 6.333 0.614 340 HA ALA 50 HA ALA 50 -11.763 3.801 1.716 341 HB1 ALA 50 HB1 ALA 50 -12.048 6.606 2.896 342 HB2 ALA 50 HB2 ALA 50 -10.697 5.522 3.203 343 HB3 ALA 50 HB3 ALA 50 -12.311 5.092 3.755 344 H GLN 51 H GLN 51 -13.456 6.923 0.577 345 HA GLN 51 HA GLN 51 -16.155 5.877 0.766 346 HB2 GLN 51 HB2 GLN 51 -15.016 8.598 0.044 347 HB3 GLN 51 HB3 GLN 51 -16.735 8.287 -0.039 348 HG2 GLN 51 HG2 GLN 51 -15.291 7.787 2.544 349 HG3 GLN 51 HG3 GLN 51 -15.552 9.441 2.094 350 HE21 GLN 51 HE21 GLN 51 -18.469 8.877 1.152 351 HE22 GLN 51 HE22 GLN 51 -19.383 8.515 2.572 352 H ASP 52 H ASP 52 -14.071 7.144 -2.103 353 HA ASP 52 HA ASP 52 -16.108 6.479 -4.029 354 HB2 ASP 52 HB2 ASP 52 -13.676 8.252 -4.100 355 HB3 ASP 52 HB3 ASP 52 -14.373 7.711 -5.603 356 H GLY 53 H GLY 53 -12.821 5.036 -3.194 357 HA2 GLY 53 HA2 GLY 53 -12.554 3.639 -5.779 358 HA3 GLY 53 HA3 GLY 53 -11.412 3.624 -4.466 359 H ARG 54 H ARG 54 -12.009 2.165 -2.503 360 HA ARG 54 HA ARG 54 -13.901 0.260 -1.992 361 HB2 ARG 54 HB2 ARG 54 -12.040 -1.028 -4.046 362 HB3 ARG 54 HB3 ARG 54 -12.530 -2.041 -2.702 363 HG2 ARG 54 HG2 ARG 54 -14.926 -1.702 -3.383 364 HG3 ARG 54 HG3 ARG 54 -14.377 -0.739 -4.747 365 HD2 ARG 54 HD2 ARG 54 -14.834 -2.870 -5.670 366 HD3 ARG 54 HD3 ARG 54 -13.086 -2.840 -5.494 367 HE ARG 54 HE ARG 54 -14.083 -4.065 -3.175 368 HH11 ARG 54 HH11 ARG 54 -14.111 -5.191 -6.640 369 HH12 ARG 54 HH12 ARG 54 -14.204 -6.858 -6.178 370 HH21 ARG 54 HH21 ARG 54 -14.206 -6.261 -2.723 371 HH22 ARG 54 HH22 ARG 54 -14.257 -7.446 -3.985 372 H LEU 55 H LEU 55 -10.517 1.329 -1.399 373 HA LEU 55 HA LEU 55 -9.434 -0.941 -0.121 374 HB2 LEU 55 HB2 LEU 55 -8.141 0.547 -1.494 375 HB3 LEU 55 HB3 LEU 55 -8.466 1.929 -0.485 376 HG LEU 55 HG LEU 55 -6.940 0.274 1.199 377 HD11 LEU 55 HD11 LEU 55 -5.836 -0.061 -1.574 378 HD12 LEU 55 HD12 LEU 55 -6.438 -1.350 -0.523 379 HD13 LEU 55 HD13 LEU 55 -4.995 -0.432 -0.075 380 HD21 LEU 55 HD21 LEU 55 -6.809 2.634 0.803 381 HD22 LEU 55 HD22 LEU 55 -6.063 2.347 -0.754 382 HD23 LEU 55 HD23 LEU 55 -5.191 1.921 0.746 383 H ARG 56 H ARG 56 -9.330 -1.684 1.760 384 HA ARG 56 HA ARG 56 -9.822 -0.236 4.284 385 HB2 ARG 56 HB2 ARG 56 -10.348 -3.214 3.610 386 HB3 ARG 56 HB3 ARG 56 -10.206 -2.718 5.267 387 HG2 ARG 56 HG2 ARG 56 -12.177 -1.285 4.957 388 HG3 ARG 56 HG3 ARG 56 -12.314 -1.906 3.299 389 HD2 ARG 56 HD2 ARG 56 -12.360 -4.133 4.097 390 HD3 ARG 56 HD3 ARG 56 -12.103 -3.546 5.739 391 HE ARG 56 HE ARG 56 -14.477 -2.338 4.798 392 HH11 ARG 56 HH11 ARG 56 -13.813 -5.812 5.687 393 HH12 ARG 56 HH12 ARG 56 -15.480 -6.124 6.037 394 HH21 ARG 56 HH21 ARG 56 -16.603 -2.886 5.290 395 HH22 ARG 56 HH22 ARG 56 -17.033 -4.481 5.812 396 H VAL 57 H VAL 57 -8.441 -0.716 6.182 397 HA VAL 57 HA VAL 57 -5.596 -0.651 5.952 398 HB VAL 57 HB VAL 57 -7.413 0.138 7.603 399 HG11 VAL 57 HG11 VAL 57 -7.301 -2.301 8.939 400 HG12 VAL 57 HG12 VAL 57 -8.494 -0.944 8.802 401 HG13 VAL 57 HG13 VAL 57 -7.121 -0.826 9.950 402 HG21 VAL 57 HG21 VAL 57 -5.681 1.228 7.803 403 HG22 VAL 57 HG22 VAL 57 -4.613 -0.122 8.273 404 HG23 VAL 57 HG23 VAL 57 -5.738 0.614 9.468 405 H ASN 58 H ASN 58 -7.536 -3.443 6.174 406 HA ASN 58 HA ASN 58 -5.495 -5.338 6.895 407 HB2 ASN 58 HB2 ASN 58 -7.813 -5.192 7.934 408 HB3 ASN 58 HB3 ASN 58 -8.507 -5.783 6.449 409 HD21 ASN 58 HD21 ASN 58 -9.445 -7.622 7.318 410 HD22 ASN 58 HD22 ASN 58 -8.584 -8.972 7.968 411 H ASP 59 H ASP 59 -6.005 -3.787 3.863 412 HA ASP 59 HA ASP 59 -6.130 -6.103 2.078 413 HB2 ASP 59 HB2 ASP 59 -6.206 -3.138 1.573 414 HB3 ASP 59 HB3 ASP 59 -5.740 -4.189 0.244 415 H SER 60 H SER 60 -3.427 -3.940 3.129 416 HA SER 60 HA SER 60 -1.200 -3.702 2.701 417 HB2 SER 60 HB2 SER 60 -1.253 -6.724 3.156 418 HB3 SER 60 HB3 SER 60 0.218 -5.759 3.241 419 HG SER 60 HG SER 60 -0.853 -6.168 5.294 420 H ILE 61 H ILE 61 0.170 -3.064 1.160 421 HA ILE 61 HA ILE 61 -0.155 -4.110 -1.579 422 HB ILE 61 HB ILE 61 1.652 -1.598 -0.991 423 HG12 ILE 61 HG12 ILE 61 -1.293 -1.176 -1.869 424 HG13 ILE 61 HG13 ILE 61 -0.937 -1.380 -0.168 425 HG21 ILE 61 HG21 ILE 61 1.166 -0.904 -3.387 426 HG22 ILE 61 HG22 ILE 61 0.158 -2.334 -3.590 427 HG23 ILE 61 HG23 ILE 61 1.880 -2.523 -3.323 428 HD11 ILE 61 HD11 ILE 61 0.407 0.723 -0.206 429 HD12 ILE 61 HD12 ILE 61 -1.248 1.012 -0.764 430 HD13 ILE 61 HD13 ILE 61 0.070 0.882 -1.933 431 H LEU 62 H LEU 62 1.157 -5.487 -2.743 432 HA LEU 62 HA LEU 62 3.963 -5.974 -1.928 433 HB2 LEU 62 HB2 LEU 62 3.941 -8.001 -3.335 434 HB3 LEU 62 HB3 LEU 62 2.669 -8.090 -2.119 435 HG LEU 62 HG LEU 62 1.952 -7.439 -4.994 436 HD11 LEU 62 HD11 LEU 62 2.364 -10.124 -3.763 437 HD12 LEU 62 HD12 LEU 62 3.284 -9.387 -5.101 438 HD13 LEU 62 HD13 LEU 62 1.565 -9.800 -5.307 439 HD21 LEU 62 HD21 LEU 62 0.194 -7.236 -3.276 440 HD22 LEU 62 HD22 LEU 62 0.487 -8.908 -2.797 441 HD23 LEU 62 HD23 LEU 62 -0.142 -8.548 -4.405 442 H PHE 63 H PHE 63 2.116 -4.780 -4.729 443 HA PHE 63 HA PHE 63 4.648 -3.763 -5.906 444 HB2 PHE 63 HB2 PHE 63 2.636 -5.446 -7.490 445 HB3 PHE 63 HB3 PHE 63 3.732 -4.365 -8.342 446 HD1 PHE 63 HD1 PHE 63 3.609 -7.401 -6.147 447 HD2 PHE 63 HD2 PHE 63 6.002 -5.039 -8.703 448 HE1 PHE 63 HE1 PHE 63 5.226 -9.195 -6.179 449 HE2 PHE 63 HE2 PHE 63 7.702 -6.709 -8.751 450 HZ PHE 63 HZ PHE 63 7.366 -8.908 -7.507 451 H VAL 64 H VAL 64 4.718 -1.670 -6.495 452 HA VAL 64 HA VAL 64 2.158 -0.250 -6.968 453 HB VAL 64 HB VAL 64 3.422 0.014 -4.724 454 HG11 VAL 64 HG11 VAL 64 4.788 2.310 -5.501 455 HG12 VAL 64 HG12 VAL 64 5.189 0.864 -4.561 456 HG13 VAL 64 HG13 VAL 64 4.159 2.113 -3.855 457 HG21 VAL 64 HG21 VAL 64 1.960 1.938 -3.934 458 HG22 VAL 64 HG22 VAL 64 1.289 0.444 -4.605 459 HG23 VAL 64 HG23 VAL 64 1.347 1.901 -5.610 460 H ASN 65 H ASN 65 1.842 1.252 -8.535 461 HA ASN 65 HA ASN 65 2.036 2.314 -10.508 462 HB2 ASN 65 HB2 ASN 65 4.465 3.372 -9.493 463 HB3 ASN 65 HB3 ASN 65 5.185 2.282 -10.596 464 HD21 ASN 65 HD21 ASN 65 5.313 2.766 -12.797 465 HD22 ASN 65 HD22 ASN 65 4.873 4.297 -13.466 466 H GLU 66 H GLU 66 2.660 -0.804 -10.073 467 HA GLU 66 HA GLU 66 3.068 -2.799 -10.850 468 HB2 GLU 66 HB2 GLU 66 3.552 -1.662 -13.730 469 HB3 GLU 66 HB3 GLU 66 3.716 -3.366 -13.394 470 HG2 GLU 66 HG2 GLU 66 1.092 -1.853 -13.031 471 HG3 GLU 66 HG3 GLU 66 1.552 -2.592 -14.551 472 H VAL 67 H VAL 67 5.195 -0.925 -9.580 473 HA VAL 67 HA VAL 67 7.674 -2.179 -10.331 474 HB VAL 67 HB VAL 67 8.952 -0.525 -9.453 475 HG11 VAL 67 HG11 VAL 67 8.133 0.088 -11.258 476 HG12 VAL 67 HG12 VAL 67 8.606 1.540 -10.316 477 HG13 VAL 67 HG13 VAL 67 6.847 1.155 -10.577 478 HG21 VAL 67 HG21 VAL 67 6.864 0.942 -7.742 479 HG22 VAL 67 HG22 VAL 67 8.566 1.457 -7.871 480 HG23 VAL 67 HG23 VAL 67 8.138 -0.119 -7.155 481 H ASP 68 H ASP 68 9.270 -2.733 -8.843 482 HA ASP 68 HA ASP 68 8.142 -4.402 -6.962 483 HB2 ASP 68 HB2 ASP 68 10.426 -5.751 -6.758 484 HB3 ASP 68 HB3 ASP 68 9.561 -5.847 -8.271 485 H VAL 69 H VAL 69 7.610 -3.573 -5.099 486 HA VAL 69 HA VAL 69 9.533 -2.105 -3.478 487 HB VAL 69 HB VAL 69 7.804 -1.224 -1.925 488 HG11 VAL 69 HG11 VAL 69 6.673 0.338 -3.233 489 HG12 VAL 69 HG12 VAL 69 7.333 -0.453 -4.708 490 HG13 VAL 69 HG13 VAL 69 8.414 0.216 -3.460 491 HG21 VAL 69 HG21 VAL 69 5.282 -1.220 -2.696 492 HG22 VAL 69 HG22 VAL 69 5.985 -2.435 -1.674 493 HG23 VAL 69 HG23 VAL 69 5.708 -2.817 -3.409 494 H ARG 70 H ARG 70 8.817 -5.180 -3.546 495 HA ARG 70 HA ARG 70 8.723 -6.332 -1.005 496 HB2 ARG 70 HB2 ARG 70 9.785 -8.452 -1.961 497 HB3 ARG 70 HB3 ARG 70 8.383 -7.866 -2.823 498 HG2 ARG 70 HG2 ARG 70 9.887 -7.086 -4.687 499 HG3 ARG 70 HG3 ARG 70 11.296 -7.598 -3.774 500 HD2 ARG 70 HD2 ARG 70 9.117 -9.518 -4.659 501 HD3 ARG 70 HD3 ARG 70 10.505 -9.140 -5.669 502 HE ARG 70 HE ARG 70 11.423 -10.038 -3.121 503 HH11 ARG 70 HH11 ARG 70 10.030 -11.745 -6.022 504 HH12 ARG 70 HH12 ARG 70 10.783 -13.245 -5.592 505 HH21 ARG 70 HH21 ARG 70 12.334 -12.039 -2.690 506 HH22 ARG 70 HH22 ARG 70 12.070 -13.401 -3.728 507 H GLU 71 H GLU 71 11.614 -4.703 -2.061 508 HA GLU 71 HA GLU 71 13.043 -4.867 0.389 509 HB2 GLU 71 HB2 GLU 71 13.890 -7.020 -0.909 510 HB3 GLU 71 HB3 GLU 71 14.647 -5.935 -2.064 511 HG2 GLU 71 HG2 GLU 71 16.197 -5.158 -0.236 512 HG3 GLU 71 HG3 GLU 71 15.413 -6.265 0.880 513 H VAL 72 H VAL 72 12.293 -2.714 0.259 514 HA VAL 72 HA VAL 72 14.109 -0.741 -0.889 515 HB VAL 72 HB VAL 72 12.528 0.819 -1.900 516 HG11 VAL 72 HG11 VAL 72 11.430 -0.109 -3.811 517 HG12 VAL 72 HG12 VAL 72 11.757 -1.712 -3.170 518 HG13 VAL 72 HG13 VAL 72 13.104 -0.624 -3.554 519 HG21 VAL 72 HG21 VAL 72 9.988 0.623 -2.159 520 HG22 VAL 72 HG22 VAL 72 10.542 0.891 -0.520 521 HG23 VAL 72 HG23 VAL 72 10.044 -0.735 -1.011 522 H THR 73 H THR 73 14.009 1.463 0.111 523 HA THR 73 HA THR 73 13.250 1.712 2.944 524 HB THR 73 HB THR 73 13.888 4.278 2.504 525 HG1 THR 73 HG1 THR 73 14.062 4.425 0.356 526 HG21 THR 73 HG21 THR 73 16.280 3.898 2.817 527 HG22 THR 73 HG22 THR 73 16.040 2.166 2.488 528 HG23 THR 73 HG23 THR 73 15.263 2.939 3.895 529 H HIS 74 H HIS 74 11.867 3.621 3.832 530 HA HIS 74 HA HIS 74 9.171 3.770 2.936 531 HB2 HIS 74 HB2 HIS 74 8.653 5.580 4.649 532 HB3 HIS 74 HB3 HIS 74 9.715 4.367 5.320 533 HD1 HIS 74 HD1 HIS 74 12.332 5.276 5.745 534 HD2 HIS 74 HD2 HIS 74 9.499 8.219 4.931 535 HE1 HIS 74 HE1 HIS 74 13.397 7.467 6.433 536 HE2 HIS 74 HE2 HIS 74 11.691 9.225 5.863 537 H SER 75 H SER 75 11.534 6.364 2.380 538 HA SER 75 HA SER 75 10.070 8.172 0.697 539 HB2 SER 75 HB2 SER 75 12.344 9.151 -0.012 540 HB3 SER 75 HB3 SER 75 12.099 9.072 1.733 541 HG SER 75 HG SER 75 13.795 7.530 0.067 542 H ALA 76 H ALA 76 11.987 5.342 -0.294 543 HA ALA 76 HA ALA 76 11.884 5.439 -3.145 544 HB1 ALA 76 HB1 ALA 76 12.333 3.129 -1.274 545 HB2 ALA 76 HB2 ALA 76 13.580 4.244 -1.811 546 HB3 ALA 76 HB3 ALA 76 12.801 3.151 -2.984 547 H ALA 77 H ALA 77 9.436 4.262 -0.719 548 HA ALA 77 HA ALA 77 7.701 2.866 -2.633 549 HB1 ALA 77 HB1 ALA 77 6.374 2.232 -0.643 550 HB2 ALA 77 HB2 ALA 77 7.356 3.339 0.333 551 HB3 ALA 77 HB3 ALA 77 8.099 1.897 -0.367 552 H VAL 78 H VAL 78 7.743 5.974 -0.805 553 HA VAL 78 HA VAL 78 5.091 7.007 -1.564 554 HB VAL 78 HB VAL 78 7.487 8.509 -0.181 555 HG11 VAL 78 HG11 VAL 78 4.638 9.583 -0.211 556 HG12 VAL 78 HG12 VAL 78 5.946 10.254 -1.184 557 HG13 VAL 78 HG13 VAL 78 6.033 10.328 0.588 558 HG21 VAL 78 HG21 VAL 78 4.913 7.559 0.975 559 HG22 VAL 78 HG22 VAL 78 6.207 8.372 1.890 560 HG23 VAL 78 HG23 VAL 78 6.484 6.767 1.166 561 H GLU 79 H GLU 79 8.368 7.622 -2.933 562 HA GLU 79 HA GLU 79 7.839 9.580 -4.955 563 HB2 GLU 79 HB2 GLU 79 10.133 7.728 -4.475 564 HB3 GLU 79 HB3 GLU 79 10.163 8.759 -5.890 565 HG2 GLU 79 HG2 GLU 79 9.695 9.908 -3.226 566 HG3 GLU 79 HG3 GLU 79 11.382 9.530 -3.589 567 H ALA 80 H ALA 80 7.405 6.140 -5.039 568 HA ALA 80 HA ALA 80 6.958 5.748 -7.880 569 HB1 ALA 80 HB1 ALA 80 7.594 3.845 -6.347 570 HB2 ALA 80 HB2 ALA 80 6.133 3.491 -7.267 571 HB3 ALA 80 HB3 ALA 80 6.003 3.939 -5.595 572 H LEU 81 H LEU 81 4.860 6.952 -5.170 573 HA LEU 81 HA LEU 81 2.339 6.912 -6.654 574 HB2 LEU 81 HB2 LEU 81 2.899 7.736 -3.749 575 HB3 LEU 81 HB3 LEU 81 1.317 7.762 -4.483 576 HG LEU 81 HG LEU 81 2.688 5.165 -4.529 577 HD11 LEU 81 HD11 LEU 81 2.295 4.677 -2.195 578 HD12 LEU 81 HD12 LEU 81 1.936 6.401 -1.944 579 HD13 LEU 81 HD13 LEU 81 3.524 5.892 -2.558 580 HD21 LEU 81 HD21 LEU 81 -0.082 5.952 -3.577 581 HD22 LEU 81 HD22 LEU 81 0.487 4.294 -3.914 582 HD23 LEU 81 HD23 LEU 81 0.353 5.484 -5.222 583 H LYS 82 H LYS 82 4.769 9.232 -5.465 584 HA LYS 82 HA LYS 82 3.441 11.672 -6.222 585 HB2 LYS 82 HB2 LYS 82 6.207 11.098 -5.167 586 HB3 LYS 82 HB3 LYS 82 5.774 12.733 -5.629 587 HG2 LYS 82 HG2 LYS 82 3.896 12.679 -3.882 588 HG3 LYS 82 HG3 LYS 82 4.456 11.128 -3.329 589 HD2 LYS 82 HD2 LYS 82 5.483 12.527 -1.747 590 HD3 LYS 82 HD3 LYS 82 6.761 12.443 -2.935 591 HE2 LYS 82 HE2 LYS 82 6.628 14.753 -2.196 592 HE3 LYS 82 HE3 LYS 82 5.946 14.720 -3.813 593 HZ1 LYS 82 HZ1 LYS 82 3.715 14.776 -2.820 594 HZ2 LYS 82 HZ2 LYS 82 4.627 16.106 -2.309 595 HZ3 LYS 82 HZ3 LYS 82 4.386 14.799 -1.265 596 H GLU 83 H GLU 83 5.758 9.503 -7.850 597 HA GLU 83 HA GLU 83 6.415 11.214 -10.081 598 HB2 GLU 83 HB2 GLU 83 7.677 9.552 -11.156 599 HB3 GLU 83 HB3 GLU 83 7.729 9.482 -9.354 600 HG2 GLU 83 HG2 GLU 83 6.575 7.351 -9.318 601 HG3 GLU 83 HG3 GLU 83 6.225 7.425 -11.040 602 H ALA 84 H ALA 84 3.694 8.827 -10.006 603 HA ALA 84 HA ALA 84 3.136 8.743 -12.729 604 HB1 ALA 84 HB1 ALA 84 1.277 8.162 -10.420 605 HB2 ALA 84 HB2 ALA 84 2.486 7.070 -11.049 606 HB3 ALA 84 HB3 ALA 84 1.100 7.522 -12.063 607 H GLY 85 H GLY 85 2.285 11.069 -10.403 608 HA2 GLY 85 HA2 GLY 85 1.828 13.484 -10.684 609 HA3 GLY 85 HA3 GLY 85 1.395 12.929 -12.295 610 H SER 86 H SER 86 -0.770 11.274 -11.823 611 HA SER 86 HA SER 86 -3.037 12.833 -10.829 612 HB2 SER 86 HB2 SER 86 -2.311 13.923 -12.946 613 HB3 SER 86 HB3 SER 86 -2.649 12.461 -13.837 614 HG SER 86 HG SER 86 -4.400 14.317 -13.680 615 H ILE 87 H ILE 87 -1.736 9.910 -12.450 616 HA ILE 87 HA ILE 87 -4.113 8.277 -11.841 617 HB ILE 87 HB ILE 87 -2.737 8.031 -14.617 618 HG12 ILE 87 HG12 ILE 87 -4.074 10.075 -14.669 619 HG13 ILE 87 HG13 ILE 87 -4.760 8.996 -15.886 620 HG21 ILE 87 HG21 ILE 87 -3.498 5.831 -14.202 621 HG22 ILE 87 HG22 ILE 87 -4.559 6.473 -15.484 622 HG23 ILE 87 HG23 ILE 87 -5.123 6.408 -13.797 623 HD11 ILE 87 HD11 ILE 87 -5.929 9.761 -13.156 624 HD12 ILE 87 HD12 ILE 87 -6.753 8.725 -14.298 625 HD13 ILE 87 HD13 ILE 87 -6.490 10.436 -14.695 626 H VAL 88 H VAL 88 -3.461 7.200 -10.305 627 HA VAL 88 HA VAL 88 -0.924 5.717 -10.312 628 HB VAL 88 HB VAL 88 -1.827 7.524 -8.691 629 HG11 VAL 88 HG11 VAL 88 -1.843 7.122 -6.259 630 HG12 VAL 88 HG12 VAL 88 -2.567 5.582 -6.728 631 HG13 VAL 88 HG13 VAL 88 -3.286 7.100 -7.276 632 HG21 VAL 88 HG21 VAL 88 0.176 7.294 -7.183 633 HG22 VAL 88 HG22 VAL 88 0.224 7.560 -8.929 634 HG23 VAL 88 HG23 VAL 88 0.565 5.945 -8.296 635 H ARG 89 H ARG 89 -0.655 3.678 -10.148 636 HA ARG 89 HA ARG 89 -2.912 1.836 -9.689 637 HB2 ARG 89 HB2 ARG 89 -2.092 0.150 -11.606 638 HB3 ARG 89 HB3 ARG 89 -2.754 1.649 -12.161 639 HG2 ARG 89 HG2 ARG 89 -0.483 2.410 -12.704 640 HG3 ARG 89 HG3 ARG 89 0.160 0.876 -12.085 641 HD2 ARG 89 HD2 ARG 89 -1.293 -0.311 -13.572 642 HD3 ARG 89 HD3 ARG 89 -1.880 1.212 -14.223 643 HE ARG 89 HE ARG 89 0.942 1.200 -14.509 644 HH11 ARG 89 HH11 ARG 89 -1.671 -0.587 -16.322 645 HH12 ARG 89 HH12 ARG 89 -0.678 -0.772 -17.728 646 HH21 ARG 89 HH21 ARG 89 2.114 0.886 -16.405 647 HH22 ARG 89 HH22 ARG 89 1.436 0.055 -17.765 648 H LEU 90 H LEU 90 -2.851 0.942 -7.827 649 HA LEU 90 HA LEU 90 -0.484 -0.346 -6.702 650 HB2 LEU 90 HB2 LEU 90 -1.784 -0.269 -4.449 651 HB3 LEU 90 HB3 LEU 90 -1.385 1.320 -5.088 652 HG LEU 90 HG LEU 90 -3.438 1.564 -3.994 653 HD11 LEU 90 HD11 LEU 90 -5.315 1.826 -5.146 654 HD12 LEU 90 HD12 LEU 90 -4.486 1.252 -6.609 655 HD13 LEU 90 HD13 LEU 90 -3.889 2.691 -5.731 656 HD21 LEU 90 HD21 LEU 90 -4.502 -1.036 -4.918 657 HD22 LEU 90 HD22 LEU 90 -5.106 0.014 -3.594 658 HD23 LEU 90 HD23 LEU 90 -3.493 -0.752 -3.518 659 H TYR 91 H TYR 91 -0.306 -2.436 -5.982 660 HA TYR 91 HA TYR 91 -2.409 -4.450 -6.557 661 HB2 TYR 91 HB2 TYR 91 -0.245 -4.460 -8.190 662 HB3 TYR 91 HB3 TYR 91 0.568 -5.062 -6.826 663 HD1 TYR 91 HD1 TYR 91 -2.730 -6.261 -8.330 664 HD2 TYR 91 HD2 TYR 91 1.240 -7.221 -7.170 665 HE1 TYR 91 HE1 TYR 91 -3.198 -8.488 -8.868 666 HE2 TYR 91 HE2 TYR 91 0.869 -9.533 -7.721 667 HH TYR 91 HH TYR 91 -1.865 -10.591 -9.547 668 H VAL 92 H VAL 92 -3.243 -5.270 -4.935 669 HA VAL 92 HA VAL 92 -1.858 -5.611 -2.328 670 HB VAL 92 HB VAL 92 -4.023 -5.322 -1.072 671 HG11 VAL 92 HG11 VAL 92 -4.568 -2.975 -1.405 672 HG12 VAL 92 HG12 VAL 92 -3.691 -2.977 -2.914 673 HG13 VAL 92 HG13 VAL 92 -2.828 -3.277 -1.403 674 HG21 VAL 92 HG21 VAL 92 -6.214 -4.626 -2.224 675 HG22 VAL 92 HG22 VAL 92 -5.563 -6.268 -2.541 676 HG23 VAL 92 HG23 VAL 92 -5.387 -5.061 -3.776 677 H MET 93 H MET 93 -2.677 -7.225 -0.725 678 HA MET 93 HA MET 93 -3.305 -9.952 -1.752 679 HB2 MET 93 HB2 MET 93 -1.415 -11.175 -0.504 680 HB3 MET 93 HB3 MET 93 -0.812 -10.056 -1.691 681 HG2 MET 93 HG2 MET 93 0.716 -9.954 0.105 682 HG3 MET 93 HG3 MET 93 -0.240 -8.487 0.254 683 HE1 MET 93 HE1 MET 93 1.694 -9.854 2.505 684 HE2 MET 93 HE2 MET 93 0.731 -9.566 3.954 685 HE3 MET 93 HE3 MET 93 0.883 -8.304 2.730 686 H ARG 94 H ARG 94 -4.857 -11.099 -0.979 687 HA ARG 94 HA ARG 94 -5.787 -10.939 1.809 688 HB2 ARG 94 HB2 ARG 94 -7.492 -10.721 -0.748 689 HB3 ARG 94 HB3 ARG 94 -8.199 -11.382 0.705 690 HG2 ARG 94 HG2 ARG 94 -7.778 -9.195 1.840 691 HG3 ARG 94 HG3 ARG 94 -7.161 -8.562 0.309 692 HD2 ARG 94 HD2 ARG 94 -9.303 -8.963 -0.762 693 HD3 ARG 94 HD3 ARG 94 -9.930 -9.713 0.705 694 HE ARG 94 HE ARG 94 -9.077 -7.046 1.240 695 HH11 ARG 94 HH11 ARG 94 -12.048 -8.545 -0.255 696 HH12 ARG 94 HH12 ARG 94 -13.029 -7.167 0.115 697 HH21 ARG 94 HH21 ARG 94 -10.474 -5.326 1.656 698 HH22 ARG 94 HH22 ARG 94 -12.140 -5.374 1.182 699 H ARG 95 H ARG 95 -6.950 -12.816 2.564 700 HA ARG 95 HA ARG 95 -6.263 -15.441 1.375 701 HB2 ARG 95 HB2 ARG 95 -6.704 -14.685 4.263 702 HB3 ARG 95 HB3 ARG 95 -7.037 -16.349 3.807 703 HG2 ARG 95 HG2 ARG 95 -4.629 -16.374 2.880 704 HG3 ARG 95 HG3 ARG 95 -4.395 -14.873 3.776 705 HD2 ARG 95 HD2 ARG 95 -3.677 -16.422 5.364 706 HD3 ARG 95 HD3 ARG 95 -5.411 -16.253 5.715 707 HE ARG 95 HE ARG 95 -5.177 -18.421 3.959 708 HH11 ARG 95 HH11 ARG 95 -4.168 -18.055 7.439 709 HH12 ARG 95 HH12 ARG 95 -4.291 -19.757 7.735 710 HH21 ARG 95 HH21 ARG 95 -5.295 -20.603 4.485 711 HH22 ARG 95 HH22 ARG 95 -4.921 -21.173 6.078 712 H LYS 96 H LYS 96 -7.646 -17.284 1.404 713 HA LYS 96 HA LYS 96 -10.385 -16.748 0.426 714 HB2 LYS 96 HB2 LYS 96 -8.669 -19.266 0.178 715 HB3 LYS 96 HB3 LYS 96 -10.365 -19.303 -0.232 716 HG2 LYS 96 HG2 LYS 96 -9.953 -17.664 -2.043 717 HG3 LYS 96 HG3 LYS 96 -8.251 -17.594 -1.589 718 HD2 LYS 96 HD2 LYS 96 -7.990 -19.983 -2.148 719 HD3 LYS 96 HD3 LYS 96 -9.696 -20.091 -2.561 720 HE2 LYS 96 HE2 LYS 96 -7.756 -18.260 -4.021 721 HE3 LYS 96 HE3 LYS 96 -8.017 -19.926 -4.505 722 HZ1 LYS 96 HZ1 LYS 96 -10.363 -19.380 -4.942 723 HZ2 LYS 96 HZ2 LYS 96 -9.341 -18.382 -5.848 724 HZ3 LYS 96 HZ3 LYS 96 -10.099 -17.777 -4.464 725 HA PRO 97 HA PRO 97 -12.615 -18.277 4.314 726 HB2 PRO 97 HB2 PRO 97 -15.229 -17.850 2.960 727 HB3 PRO 97 HB3 PRO 97 -14.583 -17.046 4.389 728 HG2 PRO 97 HG2 PRO 97 -14.855 -15.738 2.050 729 HG3 PRO 97 HG3 PRO 97 -13.491 -15.411 3.133 730 HD2 PRO 97 HD2 PRO 97 -13.574 -17.137 0.664 731 HD3 PRO 97 HD3 PRO 97 -12.381 -15.897 1.113 732 HA PRO 98 HA PRO 98 -13.702 -22.851 3.413 733 HB2 PRO 98 HB2 PRO 98 -14.599 -23.182 6.242 734 HB3 PRO 98 HB3 PRO 98 -13.284 -23.994 5.393 735 HG2 PRO 98 HG2 PRO 98 -12.764 -22.181 7.295 736 HG3 PRO 98 HG3 PRO 98 -11.764 -22.272 5.834 737 HD2 PRO 98 HD2 PRO 98 -14.013 -20.363 6.461 738 HD3 PRO 98 HD3 PRO 98 -12.385 -19.998 5.845 739 H ALA 99 H ALA 99 -15.401 -24.033 2.576 740 HA ALA 99 HA ALA 99 -18.204 -23.313 3.143 741 HB1 ALA 99 HB1 ALA 99 -17.198 -24.416 0.464 742 HB2 ALA 99 HB2 ALA 99 -17.508 -22.711 0.785 743 HB3 ALA 99 HB3 ALA 99 -18.841 -23.865 0.810 744 H1 VAL 1 H1 VAL 1 2.335 0.521 19.123 745 H2 VAL 1 H2 VAL 1 3.080 2.013 18.840 746 H3 VAL 1 H3 VAL 1 3.293 1.232 20.323 747 HA VAL 1 HA VAL 1 4.587 -0.441 19.438 748 HB VAL 1 HB VAL 1 3.092 -0.563 17.294 749 HG11 VAL 1 HG11 VAL 1 4.977 1.262 15.899 750 HG12 VAL 1 HG12 VAL 1 3.239 1.426 16.140 751 HG13 VAL 1 HG13 VAL 1 3.863 0.157 15.087 752 HG21 VAL 1 HG21 VAL 1 4.695 -2.323 17.587 753 HG22 VAL 1 HG22 VAL 1 6.001 -1.338 16.930 754 HG23 VAL 1 HG23 VAL 1 4.701 -1.878 15.881 755 H VAL 2 H VAL 2 6.673 -0.567 19.349 756 HA VAL 2 HA VAL 2 8.215 1.662 20.290 757 HB VAL 2 HB VAL 2 10.244 0.010 20.477 758 HG11 VAL 2 HG11 VAL 2 9.403 -1.202 22.435 759 HG12 VAL 2 HG12 VAL 2 7.766 -0.706 22.006 760 HG13 VAL 2 HG13 VAL 2 8.975 0.511 22.422 761 HG21 VAL 2 HG21 VAL 2 9.646 -1.794 18.837 762 HG22 VAL 2 HG22 VAL 2 8.192 -2.176 19.731 763 HG23 VAL 2 HG23 VAL 2 9.768 -2.503 20.451 764 H SER 3 H SER 3 7.829 0.705 17.024 765 HA SER 3 HA SER 3 10.008 2.309 15.862 766 HB2 SER 3 HB2 SER 3 10.550 0.419 14.152 767 HB3 SER 3 HB3 SER 3 11.183 0.171 15.768 768 HG SER 3 HG SER 3 9.422 -1.276 16.126 769 H GLU 4 H GLU 4 8.679 3.952 15.190 770 HA GLU 4 HA GLU 4 6.964 3.429 12.867 771 HB2 GLU 4 HB2 GLU 4 5.474 3.469 15.105 772 HB3 GLU 4 HB3 GLU 4 5.539 5.245 14.932 773 HG2 GLU 4 HG2 GLU 4 4.342 4.589 12.555 774 HG3 GLU 4 HG3 GLU 4 4.434 3.040 13.452 775 H ARG 5 H ARG 5 7.729 4.515 11.302 776 HA ARG 5 HA ARG 5 7.553 7.415 11.334 777 HB2 ARG 5 HB2 ARG 5 9.909 5.938 9.952 778 HB3 ARG 5 HB3 ARG 5 9.413 7.518 9.386 779 HG2 ARG 5 HG2 ARG 5 9.958 8.439 11.648 780 HG3 ARG 5 HG3 ARG 5 10.546 6.843 12.114 781 HD2 ARG 5 HD2 ARG 5 12.217 6.941 10.323 782 HD3 ARG 5 HD3 ARG 5 11.623 8.533 9.852 783 HE ARG 5 HE ARG 5 12.363 8.553 12.599 784 HH11 ARG 5 HH11 ARG 5 14.216 8.732 9.461 785 HH12 ARG 5 HH12 ARG 5 15.568 9.509 10.213 786 HH21 ARG 5 HH21 ARG 5 14.189 9.567 13.437 787 HH22 ARG 5 HH22 ARG 5 15.544 9.972 12.437 788 H ILE 6 H ILE 6 5.569 7.490 10.747 789 HA ILE 6 HA ILE 6 4.707 6.246 8.273 790 HB ILE 6 HB ILE 6 3.478 5.264 10.290 791 HG12 ILE 6 HG12 ILE 6 1.135 5.197 9.817 792 HG13 ILE 6 HG13 ILE 6 1.123 6.641 8.750 793 HG21 ILE 6 HG21 ILE 6 1.763 6.362 11.659 794 HG22 ILE 6 HG22 ILE 6 2.275 7.910 10.986 795 HG23 ILE 6 HG23 ILE 6 3.416 6.933 11.914 796 HD11 ILE 6 HD11 ILE 6 2.000 3.807 8.513 797 HD12 ILE 6 HD12 ILE 6 2.455 4.944 7.255 798 HD13 ILE 6 HD13 ILE 6 0.782 4.566 7.473 799 H SER 7 H SER 7 2.473 8.806 9.295 800 HA SER 7 HA SER 7 1.463 10.532 8.045 801 HB2 SER 7 HB2 SER 7 2.873 12.705 8.051 802 HB3 SER 7 HB3 SER 7 2.894 11.832 9.575 803 HG SER 7 HG SER 7 4.987 11.529 9.349 804 H SER 8 H SER 8 2.356 8.555 6.093 805 HA SER 8 HA SER 8 3.417 9.726 3.645 806 HB2 SER 8 HB2 SER 8 2.813 6.796 4.409 807 HB3 SER 8 HB3 SER 8 3.502 7.289 2.890 808 HG SER 8 HG SER 8 5.274 8.208 4.064 809 H VAL 9 H VAL 9 2.218 8.004 1.535 810 HA VAL 9 HA VAL 9 -0.482 9.170 1.160 811 HB VAL 9 HB VAL 9 1.369 8.542 -1.394 812 HG11 VAL 9 HG11 VAL 9 -0.909 8.970 -1.972 813 HG12 VAL 9 HG12 VAL 9 0.150 10.223 -2.619 814 HG13 VAL 9 HG13 VAL 9 -0.846 10.556 -1.202 815 HG21 VAL 9 HG21 VAL 9 1.351 11.310 -0.093 816 HG22 VAL 9 HG22 VAL 9 2.116 10.892 -1.625 817 HG23 VAL 9 HG23 VAL 9 2.725 10.200 -0.123
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