NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
579507 | 2mr6 | 25062 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 4.697 -3.599 17.186 2 H2 MET 1 H2 MET 1 3.164 -3.111 16.674 3 H3 MET 1 H3 MET 1 3.817 -2.480 18.096 4 HA MET 1 HA MET 1 3.916 -0.879 16.333 5 HB2 MET 1 HB2 MET 1 5.666 -0.848 18.068 6 HB3 MET 1 HB3 MET 1 6.644 -1.982 17.148 7 HG2 MET 1 HG2 MET 1 6.940 -0.304 15.380 8 HG3 MET 1 HG3 MET 1 5.914 0.822 16.265 9 HE1 MET 1 HE1 MET 1 6.896 0.309 19.321 10 HE2 MET 1 HE2 MET 1 6.595 1.908 18.635 11 HE3 MET 1 HE3 MET 1 8.121 1.572 19.446 12 H GLY 2 H GLY 2 3.515 -0.935 14.220 13 HA2 GLY 2 HA2 GLY 2 5.340 -1.453 12.212 14 HA3 GLY 2 HA3 GLY 2 4.408 -2.943 12.400 15 H VAL 3 H VAL 3 4.473 -1.047 10.160 16 HA VAL 3 HA VAL 3 1.587 -0.408 9.922 17 HB VAL 3 HB VAL 3 3.899 1.413 9.043 18 HG11 VAL 3 HG11 VAL 3 0.912 1.874 8.709 19 HG12 VAL 3 HG12 VAL 3 2.063 1.534 7.415 20 HG13 VAL 3 HG13 VAL 3 2.184 3.037 8.329 21 HG21 VAL 3 HG21 VAL 3 3.545 1.548 11.466 22 HG22 VAL 3 HG22 VAL 3 1.826 1.866 11.224 23 HG23 VAL 3 HG23 VAL 3 3.024 3.047 10.692 24 H VAL 4 H VAL 4 0.751 -0.909 7.859 25 HA VAL 4 HA VAL 4 2.638 -1.865 5.773 26 HB VAL 4 HB VAL 4 -0.034 -3.183 6.512 27 HG11 VAL 4 HG11 VAL 4 2.039 -4.025 4.450 28 HG12 VAL 4 HG12 VAL 4 0.430 -3.379 4.113 29 HG13 VAL 4 HG13 VAL 4 0.602 -4.946 4.901 30 HG21 VAL 4 HG21 VAL 4 1.330 -5.111 7.296 31 HG22 VAL 4 HG22 VAL 4 1.635 -3.654 8.239 32 HG23 VAL 4 HG23 VAL 4 2.799 -4.173 7.020 33 H ILE 5 H ILE 5 2.455 -0.509 4.121 34 HA ILE 5 HA ILE 5 -0.021 1.011 3.569 35 HB ILE 5 HB ILE 5 2.849 1.472 2.594 36 HG12 ILE 5 HG12 ILE 5 1.373 3.017 4.777 37 HG13 ILE 5 HG13 ILE 5 2.556 1.757 5.096 38 HG21 ILE 5 HG21 ILE 5 2.073 3.705 1.874 39 HG22 ILE 5 HG22 ILE 5 0.431 3.304 2.375 40 HG23 ILE 5 HG23 ILE 5 1.184 2.423 1.045 41 HD11 ILE 5 HD11 ILE 5 4.278 3.098 3.994 42 HD12 ILE 5 HD12 ILE 5 3.532 3.940 5.350 43 HD13 ILE 5 HD13 ILE 5 3.092 4.374 3.699 44 H LEU 6 H LEU 6 -1.244 -0.024 2.014 45 HA LEU 6 HA LEU 6 0.006 -1.695 -0.075 46 HB2 LEU 6 HB2 LEU 6 -2.944 -1.425 0.604 47 HB3 LEU 6 HB3 LEU 6 -2.190 -2.691 -0.342 48 HG LEU 6 HG LEU 6 -1.795 -2.280 2.640 49 HD11 LEU 6 HD11 LEU 6 -3.507 -4.304 1.178 50 HD12 LEU 6 HD12 LEU 6 -4.079 -2.932 2.134 51 HD13 LEU 6 HD13 LEU 6 -3.213 -4.246 2.919 52 HD21 LEU 6 HD21 LEU 6 0.133 -3.354 1.619 53 HD22 LEU 6 HD22 LEU 6 -0.907 -4.557 0.855 54 HD23 LEU 6 HD23 LEU 6 -0.763 -4.499 2.613 55 H VAL 7 H VAL 7 0.534 -0.325 -1.798 56 HA VAL 7 HA VAL 7 -1.402 1.742 -2.625 57 HB VAL 7 HB VAL 7 1.404 1.232 -3.741 58 HG11 VAL 7 HG11 VAL 7 -0.062 2.485 -5.282 59 HG12 VAL 7 HG12 VAL 7 1.214 3.524 -4.647 60 HG13 VAL 7 HG13 VAL 7 -0.425 3.653 -4.008 61 HG21 VAL 7 HG21 VAL 7 0.545 3.228 -1.608 62 HG22 VAL 7 HG22 VAL 7 2.156 3.108 -2.323 63 HG23 VAL 7 HG23 VAL 7 1.528 1.784 -1.342 64 H LEU 8 H LEU 8 -3.010 0.799 -3.739 65 HA LEU 8 HA LEU 8 -2.618 -1.265 -5.770 66 HB2 LEU 8 HB2 LEU 8 -5.083 0.142 -4.650 67 HB3 LEU 8 HB3 LEU 8 -5.170 -0.972 -6.002 68 HG LEU 8 HG LEU 8 -4.294 -2.799 -4.502 69 HD11 LEU 8 HD11 LEU 8 -3.141 -1.498 -2.808 70 HD12 LEU 8 HD12 LEU 8 -4.364 -2.530 -2.074 71 HD13 LEU 8 HD13 LEU 8 -4.670 -0.802 -2.265 72 HD21 LEU 8 HD21 LEU 8 -6.871 -1.477 -3.617 73 HD22 LEU 8 HD22 LEU 8 -6.415 -3.159 -3.324 74 HD23 LEU 8 HD23 LEU 8 -6.672 -2.593 -4.972 75 H THR 9 H THR 9 -1.837 -0.461 -7.674 76 HA THR 9 HA THR 9 -2.597 2.239 -8.595 77 HB THR 9 HB THR 9 -0.520 2.050 -10.019 78 HG1 THR 9 HG1 THR 9 -0.119 -0.370 -8.539 79 HG21 THR 9 HG21 THR 9 -0.352 3.136 -7.792 80 HG22 THR 9 HG22 THR 9 1.135 2.292 -8.217 81 HG23 THR 9 HG23 THR 9 0.014 1.570 -7.061 82 H GLY 10 H GLY 10 -3.618 2.484 -10.510 83 HA2 GLY 10 HA2 GLY 10 -4.767 0.349 -11.975 84 HA3 GLY 10 HA3 GLY 10 -4.708 2.034 -12.471 85 H ASP 11 H ASP 11 -1.671 1.785 -12.145 86 HA ASP 11 HA ASP 11 -0.941 0.165 -14.494 87 HB2 ASP 11 HB2 ASP 11 -1.109 2.398 -15.381 88 HB3 ASP 11 HB3 ASP 11 -0.309 3.097 -13.988 89 H GLU 12 H GLU 12 0.739 -1.108 -14.040 90 HA GLU 12 HA GLU 12 1.822 -1.338 -11.431 91 HB2 GLU 12 HB2 GLU 12 1.459 -3.210 -13.051 92 HB3 GLU 12 HB3 GLU 12 2.803 -2.610 -14.014 93 HG2 GLU 12 HG2 GLU 12 4.314 -2.985 -12.060 94 HG3 GLU 12 HG3 GLU 12 2.959 -3.690 -11.178 95 H ARG 13 H ARG 13 2.960 0.288 -14.315 96 HA ARG 13 HA ARG 13 5.665 0.756 -13.559 97 HB2 ARG 13 HB2 ARG 13 5.024 0.966 -15.864 98 HB3 ARG 13 HB3 ARG 13 3.789 2.153 -15.483 99 HG2 ARG 13 HG2 ARG 13 5.581 3.783 -14.879 100 HG3 ARG 13 HG3 ARG 13 6.797 2.589 -15.354 101 HD2 ARG 13 HD2 ARG 13 6.332 4.266 -17.147 102 HD3 ARG 13 HD3 ARG 13 5.970 2.614 -17.663 103 HE ARG 13 HE ARG 13 3.906 4.545 -16.758 104 HH11 ARG 13 HH11 ARG 13 4.882 2.025 -19.015 105 HH12 ARG 13 HH12 ARG 13 3.366 2.037 -19.854 106 HH21 ARG 13 HH21 ARG 13 1.914 4.476 -17.806 107 HH22 ARG 13 HH22 ARG 13 1.682 3.426 -19.164 108 H ILE 14 H ILE 14 2.616 2.570 -12.956 109 HA ILE 14 HA ILE 14 3.715 4.748 -11.514 110 HB ILE 14 HB ILE 14 0.995 3.421 -11.025 111 HG12 ILE 14 HG12 ILE 14 1.714 5.863 -12.716 112 HG13 ILE 14 HG13 ILE 14 1.211 4.298 -13.336 113 HG21 ILE 14 HG21 ILE 14 0.340 5.547 -9.909 114 HG22 ILE 14 HG22 ILE 14 1.983 6.157 -10.114 115 HG23 ILE 14 HG23 ILE 14 1.685 4.767 -9.071 116 HD11 ILE 14 HD11 ILE 14 -0.491 6.205 -11.730 117 HD12 ILE 14 HD12 ILE 14 -0.998 4.615 -12.306 118 HD13 ILE 14 HD13 ILE 14 -0.598 5.885 -13.461 119 H ALA 15 H ALA 15 2.670 1.513 -10.445 120 HA ALA 15 HA ALA 15 3.202 1.674 -7.712 121 HB1 ALA 15 HB1 ALA 15 3.374 -0.790 -7.768 122 HB2 ALA 15 HB2 ALA 15 3.499 -0.741 -9.526 123 HB3 ALA 15 HB3 ALA 15 2.018 -0.211 -8.732 124 H GLU 16 H GLU 16 5.400 1.020 -10.396 125 HA GLU 16 HA GLU 16 7.617 0.184 -8.768 126 HB2 GLU 16 HB2 GLU 16 7.036 -0.537 -11.193 127 HB3 GLU 16 HB3 GLU 16 7.734 0.987 -11.701 128 HG2 GLU 16 HG2 GLU 16 9.271 -1.083 -10.105 129 HG3 GLU 16 HG3 GLU 16 9.247 -1.047 -11.858 130 H GLU 17 H GLU 17 6.695 3.225 -10.438 131 HA GLU 17 HA GLU 17 9.191 4.546 -9.852 132 HB2 GLU 17 HB2 GLU 17 8.150 6.579 -10.753 133 HB3 GLU 17 HB3 GLU 17 7.854 5.203 -11.806 134 HG2 GLU 17 HG2 GLU 17 5.561 5.000 -10.731 135 HG3 GLU 17 HG3 GLU 17 5.883 6.546 -9.944 136 H LEU 18 H LEU 18 6.052 4.347 -8.287 137 HA LEU 18 HA LEU 18 6.505 6.271 -6.239 138 HB2 LEU 18 HB2 LEU 18 4.629 3.889 -6.397 139 HB3 LEU 18 HB3 LEU 18 4.681 4.952 -5.001 140 HG LEU 18 HG LEU 18 3.873 5.746 -7.828 141 HD11 LEU 18 HD11 LEU 18 2.172 4.442 -6.643 142 HD12 LEU 18 HD12 LEU 18 1.648 6.109 -6.850 143 HD13 LEU 18 HD13 LEU 18 2.234 5.559 -5.277 144 HD21 LEU 18 HD21 LEU 18 4.061 7.513 -5.357 145 HD22 LEU 18 HD22 LEU 18 3.364 7.983 -6.909 146 HD23 LEU 18 HD23 LEU 18 5.080 7.612 -6.797 147 H ARG 19 H ARG 19 7.418 2.893 -6.612 148 HA ARG 19 HA ARG 19 8.252 2.275 -4.016 149 HB2 ARG 19 HB2 ARG 19 8.175 0.544 -5.700 150 HB3 ARG 19 HB3 ARG 19 9.366 1.370 -6.699 151 HG2 ARG 19 HG2 ARG 19 11.128 0.902 -5.116 152 HG3 ARG 19 HG3 ARG 19 9.969 0.290 -3.934 153 HD2 ARG 19 HD2 ARG 19 11.144 -1.549 -5.007 154 HD3 ARG 19 HD3 ARG 19 9.434 -1.591 -5.439 155 HE ARG 19 HE ARG 19 10.405 -0.272 -7.537 156 HH11 ARG 19 HH11 ARG 19 11.712 -3.130 -5.945 157 HH12 ARG 19 HH12 ARG 19 12.425 -3.744 -7.402 158 HH21 ARG 19 HH21 ARG 19 11.343 -1.124 -9.427 159 HH22 ARG 19 HH22 ARG 19 12.217 -2.613 -9.358 160 H LYS 20 H LYS 20 10.069 3.766 -6.677 161 HA LYS 20 HA LYS 20 12.528 4.230 -5.392 162 HB2 LYS 20 HB2 LYS 20 11.180 5.873 -7.585 163 HB3 LYS 20 HB3 LYS 20 12.892 5.941 -7.171 164 HG2 LYS 20 HG2 LYS 20 13.241 3.670 -7.930 165 HG3 LYS 20 HG3 LYS 20 11.506 3.434 -8.180 166 HD2 LYS 20 HD2 LYS 20 11.497 5.098 -9.979 167 HD3 LYS 20 HD3 LYS 20 13.202 5.467 -9.689 168 HE2 LYS 20 HE2 LYS 20 13.803 3.162 -10.352 169 HE3 LYS 20 HE3 LYS 20 12.098 2.809 -10.654 170 HZ1 LYS 20 HZ1 LYS 20 12.095 4.547 -12.350 171 HZ2 LYS 20 HZ2 LYS 20 13.233 3.348 -12.692 172 HZ3 LYS 20 HZ3 LYS 20 13.738 4.836 -12.074 173 H GLU 21 H GLU 21 9.536 6.089 -5.480 174 HA GLU 21 HA GLU 21 10.465 8.461 -4.249 175 HB2 GLU 21 HB2 GLU 21 8.423 8.380 -5.605 176 HB3 GLU 21 HB3 GLU 21 7.657 7.298 -4.449 177 HG2 GLU 21 HG2 GLU 21 6.846 9.641 -4.303 178 HG3 GLU 21 HG3 GLU 21 7.536 9.056 -2.792 179 H VAL 22 H VAL 22 9.019 5.481 -2.929 180 HA VAL 22 HA VAL 22 8.855 6.278 -0.210 181 HB VAL 22 HB VAL 22 9.271 3.453 -1.303 182 HG11 VAL 22 HG11 VAL 22 8.286 4.362 1.429 183 HG12 VAL 22 HG12 VAL 22 9.823 3.570 1.084 184 HG13 VAL 22 HG13 VAL 22 8.312 2.691 0.860 185 HG21 VAL 22 HG21 VAL 22 6.836 3.171 -1.075 186 HG22 VAL 22 HG22 VAL 22 7.229 4.461 -2.211 187 HG23 VAL 22 HG23 VAL 22 6.682 4.862 -0.585 188 H GLN 23 H GLN 23 11.402 4.685 -2.112 189 HA GLN 23 HA GLN 23 13.159 4.081 0.044 190 HB2 GLN 23 HB2 GLN 23 13.793 4.382 -2.925 191 HB3 GLN 23 HB3 GLN 23 14.844 3.625 -1.732 192 HG2 GLN 23 HG2 GLN 23 12.125 2.619 -2.617 193 HG3 GLN 23 HG3 GLN 23 13.679 1.941 -3.071 194 HE21 GLN 23 HE21 GLN 23 11.328 2.254 -0.509 195 HE22 GLN 23 HE22 GLN 23 11.979 1.020 0.507 196 H LYS 24 H LYS 24 12.793 6.872 -2.068 197 HA LYS 24 HA LYS 24 15.180 8.226 -1.190 198 HB2 LYS 24 HB2 LYS 24 12.776 9.118 -2.811 199 HB3 LYS 24 HB3 LYS 24 14.050 10.243 -2.372 200 HG2 LYS 24 HG2 LYS 24 14.832 7.707 -3.796 201 HG3 LYS 24 HG3 LYS 24 14.041 8.975 -4.720 202 HD2 LYS 24 HD2 LYS 24 16.409 9.249 -5.017 203 HD3 LYS 24 HD3 LYS 24 15.866 10.568 -3.987 204 HE2 LYS 24 HE2 LYS 24 17.088 8.062 -2.791 205 HE3 LYS 24 HE3 LYS 24 18.107 9.353 -3.417 206 HZ1 LYS 24 HZ1 LYS 24 17.640 9.451 -0.993 207 HZ2 LYS 24 HZ2 LYS 24 16.034 9.814 -1.350 208 HZ3 LYS 24 HZ3 LYS 24 17.259 10.857 -1.841 209 H HIS 25 H HIS 25 11.860 8.077 -0.101 210 HA HIS 25 HA HIS 25 12.079 10.306 1.734 211 HB2 HIS 25 HB2 HIS 25 9.897 9.513 0.702 212 HB3 HIS 25 HB3 HIS 25 9.994 8.075 1.712 213 HD2 HIS 25 HD2 HIS 25 9.643 8.591 4.537 214 HE1 HIS 25 HE1 HIS 25 7.909 12.382 3.849 215 HE2 HIS 25 HE2 HIS 25 8.126 10.466 5.478 216 H ASP 26 H ASP 26 12.577 6.832 1.813 217 HA ASP 26 HA ASP 26 14.351 6.924 4.000 218 HB2 ASP 26 HB2 ASP 26 12.268 7.141 5.361 219 HB3 ASP 26 HB3 ASP 26 11.660 5.646 4.671 220 HA PRO 27 HA PRO 27 15.200 3.218 1.510 221 HB2 PRO 27 HB2 PRO 27 17.700 2.671 2.459 222 HB3 PRO 27 HB3 PRO 27 17.379 4.049 1.386 223 HG2 PRO 27 HG2 PRO 27 17.684 4.033 4.372 224 HG3 PRO 27 HG3 PRO 27 18.386 5.153 3.180 225 HD2 PRO 27 HD2 PRO 27 16.144 5.759 4.626 226 HD3 PRO 27 HD3 PRO 27 16.428 6.387 2.985 227 H ASN 28 H ASN 28 14.950 3.340 4.974 228 HA ASN 28 HA ASN 28 15.529 0.539 5.489 229 HB2 ASN 28 HB2 ASN 28 14.374 2.704 7.310 230 HB3 ASN 28 HB3 ASN 28 14.773 1.078 7.838 231 HD21 ASN 28 HD21 ASN 28 16.797 2.998 5.612 232 HD22 ASN 28 HD22 ASN 28 18.097 3.203 6.727 233 H VAL 29 H VAL 29 12.697 2.475 4.761 234 HA VAL 29 HA VAL 29 10.675 0.593 5.430 235 HB VAL 29 HB VAL 29 10.626 2.636 3.143 236 HG11 VAL 29 HG11 VAL 29 8.318 1.203 4.521 237 HG12 VAL 29 HG12 VAL 29 8.877 0.922 2.873 238 HG13 VAL 29 HG13 VAL 29 8.148 2.470 3.304 239 HG21 VAL 29 HG21 VAL 29 9.664 2.936 6.006 240 HG22 VAL 29 HG22 VAL 29 9.414 4.117 4.719 241 HG23 VAL 29 HG23 VAL 29 11.046 3.751 5.277 242 H LYS 30 H LYS 30 10.148 -1.296 4.449 243 HA LYS 30 HA LYS 30 11.644 -2.113 2.062 244 HB2 LYS 30 HB2 LYS 30 10.060 -3.665 4.138 245 HB3 LYS 30 HB3 LYS 30 10.616 -4.419 2.646 246 HG2 LYS 30 HG2 LYS 30 12.344 -3.200 4.824 247 HG3 LYS 30 HG3 LYS 30 12.213 -4.905 4.404 248 HD2 LYS 30 HD2 LYS 30 13.385 -2.721 2.639 249 HD3 LYS 30 HD3 LYS 30 14.305 -3.925 3.524 250 HE2 LYS 30 HE2 LYS 30 12.300 -4.631 1.356 251 HE3 LYS 30 HE3 LYS 30 14.013 -4.401 1.049 252 HZ1 LYS 30 HZ1 LYS 30 12.926 -6.398 2.946 253 HZ2 LYS 30 HZ2 LYS 30 14.531 -6.244 2.441 254 HZ3 LYS 30 HZ3 LYS 30 13.341 -6.735 1.345 255 H THR 31 H THR 31 10.810 -2.260 0.157 256 HA THR 31 HA THR 31 7.884 -1.911 -0.269 257 HB THR 31 HB THR 31 8.627 -0.993 -2.552 258 HG1 THR 31 HG1 THR 31 10.949 -1.857 -1.906 259 HG21 THR 31 HG21 THR 31 9.534 0.576 -0.113 260 HG22 THR 31 HG22 THR 31 7.892 0.532 -0.758 261 HG23 THR 31 HG23 THR 31 9.192 1.251 -1.708 262 H VAL 32 H VAL 32 6.861 -3.485 -1.380 263 HA VAL 32 HA VAL 32 8.443 -5.559 -2.789 264 HB VAL 32 HB VAL 32 5.843 -6.109 -1.256 265 HG11 VAL 32 HG11 VAL 32 6.462 -8.480 -1.552 266 HG12 VAL 32 HG12 VAL 32 7.912 -8.004 -2.438 267 HG13 VAL 32 HG13 VAL 32 6.315 -7.662 -3.109 268 HG21 VAL 32 HG21 VAL 32 7.195 -7.195 0.502 269 HG22 VAL 32 HG22 VAL 32 7.569 -5.475 0.378 270 HG23 VAL 32 HG23 VAL 32 8.679 -6.666 -0.300 271 HA PRO 33 HA PRO 33 5.681 -4.018 -6.077 272 HB2 PRO 33 HB2 PRO 33 6.591 -5.604 -8.131 273 HB3 PRO 33 HB3 PRO 33 7.533 -4.230 -7.508 274 HG2 PRO 33 HG2 PRO 33 7.824 -7.146 -6.876 275 HG3 PRO 33 HG3 PRO 33 9.086 -5.946 -7.242 276 HD2 PRO 33 HD2 PRO 33 8.506 -6.694 -4.691 277 HD3 PRO 33 HD3 PRO 33 9.056 -5.053 -5.097 278 H THR 34 H THR 34 4.330 -5.140 -7.863 279 HA THR 34 HA THR 34 2.414 -6.935 -6.758 280 HB THR 34 HB THR 34 1.462 -6.975 -9.074 281 HG1 THR 34 HG1 THR 34 2.690 -6.517 -10.744 282 HG21 THR 34 HG21 THR 34 0.976 -4.948 -7.738 283 HG22 THR 34 HG22 THR 34 1.126 -4.556 -9.452 284 HG23 THR 34 HG23 THR 34 2.451 -4.194 -8.341 285 H LYS 35 H LYS 35 5.443 -7.439 -8.231 286 HA LYS 35 HA LYS 35 4.987 -9.881 -9.608 287 HB2 LYS 35 HB2 LYS 35 6.755 -8.172 -10.150 288 HB3 LYS 35 HB3 LYS 35 7.614 -8.638 -8.685 289 HG2 LYS 35 HG2 LYS 35 7.918 -10.909 -9.572 290 HG3 LYS 35 HG3 LYS 35 7.020 -10.483 -11.027 291 HD2 LYS 35 HD2 LYS 35 9.659 -9.251 -10.144 292 HD3 LYS 35 HD3 LYS 35 9.471 -10.457 -11.414 293 HE2 LYS 35 HE2 LYS 35 8.343 -7.635 -11.457 294 HE3 LYS 35 HE3 LYS 35 9.733 -8.212 -12.377 295 HZ1 LYS 35 HZ1 LYS 35 7.839 -8.179 -13.795 296 HZ2 LYS 35 HZ2 LYS 35 6.906 -9.063 -12.700 297 HZ3 LYS 35 HZ3 LYS 35 8.212 -9.796 -13.482 298 H ASP 36 H ASP 36 6.502 -9.036 -6.499 299 HA ASP 36 HA ASP 36 6.987 -11.853 -5.825 300 HB2 ASP 36 HB2 ASP 36 7.805 -9.291 -4.386 301 HB3 ASP 36 HB3 ASP 36 8.287 -10.918 -3.911 302 H LYS 37 H LYS 37 4.567 -12.005 -5.832 303 HA LYS 37 HA LYS 37 2.865 -10.798 -3.915 304 HB2 LYS 37 HB2 LYS 37 2.508 -13.433 -5.426 305 HB3 LYS 37 HB3 LYS 37 1.216 -12.504 -4.666 306 HG2 LYS 37 HG2 LYS 37 1.524 -10.689 -6.252 307 HG3 LYS 37 HG3 LYS 37 2.928 -11.492 -6.953 308 HD2 LYS 37 HD2 LYS 37 1.508 -13.322 -7.774 309 HD3 LYS 37 HD3 LYS 37 0.087 -12.596 -7.017 310 HE2 LYS 37 HE2 LYS 37 1.736 -11.305 -9.224 311 HE3 LYS 37 HE3 LYS 37 0.207 -12.147 -9.464 312 HZ1 LYS 37 HZ1 LYS 37 0.618 -9.678 -7.874 313 HZ2 LYS 37 HZ2 LYS 37 -0.848 -10.513 -7.986 314 HZ3 LYS 37 HZ3 LYS 37 -0.175 -9.800 -9.364 315 H GLU 38 H GLU 38 4.758 -13.706 -3.918 316 HA GLU 38 HA GLU 38 3.541 -15.050 -1.688 317 HB2 GLU 38 HB2 GLU 38 6.184 -15.535 -3.154 318 HB3 GLU 38 HB3 GLU 38 5.508 -16.612 -1.937 319 HG2 GLU 38 HG2 GLU 38 5.106 -17.514 -4.152 320 HG3 GLU 38 HG3 GLU 38 3.579 -17.069 -3.399 321 H LYS 39 H LYS 39 6.356 -13.006 -2.237 322 HA LYS 39 HA LYS 39 7.655 -13.550 0.280 323 HB2 LYS 39 HB2 LYS 39 8.270 -11.401 -1.792 324 HB3 LYS 39 HB3 LYS 39 9.338 -11.925 -0.491 325 HG2 LYS 39 HG2 LYS 39 9.548 -14.147 -1.500 326 HG3 LYS 39 HG3 LYS 39 8.397 -13.704 -2.765 327 HD2 LYS 39 HD2 LYS 39 10.002 -11.890 -3.492 328 HD3 LYS 39 HD3 LYS 39 11.169 -12.525 -2.329 329 HE2 LYS 39 HE2 LYS 39 11.271 -14.644 -3.508 330 HE3 LYS 39 HE3 LYS 39 9.964 -14.149 -4.587 331 HZ1 LYS 39 HZ1 LYS 39 12.104 -13.928 -5.643 332 HZ2 LYS 39 HZ2 LYS 39 12.645 -12.886 -4.429 333 HZ3 LYS 39 HZ3 LYS 39 11.385 -12.408 -5.458 334 H VAL 40 H VAL 40 5.177 -11.383 -0.668 335 HA VAL 40 HA VAL 40 5.656 -9.047 0.757 336 HB VAL 40 HB VAL 40 2.947 -10.385 0.279 337 HG11 VAL 40 HG11 VAL 40 3.588 -7.526 1.094 338 HG12 VAL 40 HG12 VAL 40 2.757 -8.741 2.067 339 HG13 VAL 40 HG13 VAL 40 1.992 -8.105 0.615 340 HG21 VAL 40 HG21 VAL 40 4.124 -9.916 -1.844 341 HG22 VAL 40 HG22 VAL 40 4.338 -8.232 -1.372 342 HG23 VAL 40 HG23 VAL 40 2.717 -8.863 -1.671 343 H LYS 41 H LYS 41 3.841 -11.929 1.856 344 HA LYS 41 HA LYS 41 3.111 -10.918 4.387 345 HB2 LYS 41 HB2 LYS 41 2.489 -13.279 4.933 346 HB3 LYS 41 HB3 LYS 41 1.820 -12.704 3.414 347 HG2 LYS 41 HG2 LYS 41 3.344 -14.016 2.122 348 HG3 LYS 41 HG3 LYS 41 4.344 -14.386 3.526 349 HD2 LYS 41 HD2 LYS 41 1.488 -15.369 3.093 350 HD3 LYS 41 HD3 LYS 41 2.949 -16.320 2.831 351 HE2 LYS 41 HE2 LYS 41 3.506 -16.017 5.268 352 HE3 LYS 41 HE3 LYS 41 1.939 -15.235 5.478 353 HZ1 LYS 41 HZ1 LYS 41 0.885 -17.288 4.691 354 HZ2 LYS 41 HZ2 LYS 41 1.801 -17.543 6.084 355 HZ3 LYS 41 HZ3 LYS 41 2.398 -18.030 4.584 356 H GLU 42 H GLU 42 5.973 -12.658 3.341 357 HA GLU 42 HA GLU 42 7.063 -13.249 5.916 358 HB2 GLU 42 HB2 GLU 42 8.562 -12.886 3.283 359 HB3 GLU 42 HB3 GLU 42 9.145 -13.740 4.707 360 HG2 GLU 42 HG2 GLU 42 6.900 -14.575 2.855 361 HG3 GLU 42 HG3 GLU 42 8.467 -15.356 3.049 362 H GLU 43 H GLU 43 7.463 -10.635 3.574 363 HA GLU 43 HA GLU 43 9.379 -9.098 4.971 364 HB2 GLU 43 HB2 GLU 43 7.389 -8.419 2.782 365 HB3 GLU 43 HB3 GLU 43 8.536 -7.247 3.409 366 HG2 GLU 43 HG2 GLU 43 9.317 -9.873 2.129 367 HG3 GLU 43 HG3 GLU 43 9.247 -8.326 1.280 368 H ILE 44 H ILE 44 5.871 -9.271 5.260 369 HA ILE 44 HA ILE 44 5.428 -6.900 6.776 370 HB ILE 44 HB ILE 44 3.840 -9.513 6.627 371 HG12 ILE 44 HG12 ILE 44 3.329 -6.778 5.350 372 HG13 ILE 44 HG13 ILE 44 3.903 -8.213 4.512 373 HG21 ILE 44 HG21 ILE 44 2.967 -6.926 7.980 374 HG22 ILE 44 HG22 ILE 44 3.333 -8.450 8.791 375 HG23 ILE 44 HG23 ILE 44 1.945 -8.341 7.711 376 HD11 ILE 44 HD11 ILE 44 1.770 -9.333 5.008 377 HD12 ILE 44 HD12 ILE 44 1.576 -7.862 4.060 378 HD13 ILE 44 HD13 ILE 44 1.191 -7.853 5.780 379 H GLU 45 H GLU 45 6.131 -10.287 7.676 380 HA GLU 45 HA GLU 45 6.079 -10.087 10.471 381 HB2 GLU 45 HB2 GLU 45 7.927 -11.836 8.795 382 HB3 GLU 45 HB3 GLU 45 7.578 -12.073 10.500 383 HG2 GLU 45 HG2 GLU 45 5.603 -12.336 8.222 384 HG3 GLU 45 HG3 GLU 45 6.356 -13.664 9.102 385 H LYS 46 H LYS 46 8.658 -9.519 8.167 386 HA LYS 46 HA LYS 46 10.758 -8.994 10.034 387 HB2 LYS 46 HB2 LYS 46 10.573 -8.408 7.056 388 HB3 LYS 46 HB3 LYS 46 12.057 -8.407 8.007 389 HG2 LYS 46 HG2 LYS 46 11.940 -10.806 8.334 390 HG3 LYS 46 HG3 LYS 46 10.309 -10.868 7.661 391 HD2 LYS 46 HD2 LYS 46 11.932 -11.688 6.010 392 HD3 LYS 46 HD3 LYS 46 11.183 -10.191 5.449 393 HE2 LYS 46 HE2 LYS 46 13.555 -10.121 4.960 394 HE3 LYS 46 HE3 LYS 46 13.209 -8.938 6.221 395 HZ1 LYS 46 HZ1 LYS 46 14.012 -10.545 7.862 396 HZ2 LYS 46 HZ2 LYS 46 15.207 -10.195 6.716 397 HZ3 LYS 46 HZ3 LYS 46 14.350 -11.651 6.629 398 H ALA 47 H ALA 47 8.432 -6.968 8.282 399 HA ALA 47 HA ALA 47 9.775 -4.477 8.413 400 HB1 ALA 47 HB1 ALA 47 6.780 -4.971 8.251 401 HB2 ALA 47 HB2 ALA 47 7.889 -4.887 6.882 402 HB3 ALA 47 HB3 ALA 47 7.610 -3.456 7.872 403 H ARG 48 H ARG 48 7.576 -6.082 10.650 404 HA ARG 48 HA ARG 48 7.182 -3.986 12.533 405 HB2 ARG 48 HB2 ARG 48 7.305 -6.961 13.159 406 HB3 ARG 48 HB3 ARG 48 6.455 -5.720 14.073 407 HG2 ARG 48 HG2 ARG 48 4.858 -5.435 12.230 408 HG3 ARG 48 HG3 ARG 48 5.729 -6.641 11.276 409 HD2 ARG 48 HD2 ARG 48 4.245 -7.095 13.881 410 HD3 ARG 48 HD3 ARG 48 3.793 -7.693 12.283 411 HE ARG 48 HE ARG 48 6.256 -8.560 13.697 412 HH11 ARG 48 HH11 ARG 48 3.394 -9.341 11.840 413 HH12 ARG 48 HH12 ARG 48 3.752 -11.034 11.755 414 HH21 ARG 48 HH21 ARG 48 6.742 -10.759 13.569 415 HH22 ARG 48 HH22 ARG 48 5.659 -11.839 12.739 416 H LYS 49 H LYS 49 9.596 -6.538 12.210 417 HA LYS 49 HA LYS 49 11.115 -6.000 14.558 418 HB2 LYS 49 HB2 LYS 49 11.046 -8.176 13.211 419 HB3 LYS 49 HB3 LYS 49 12.077 -7.409 12.020 420 HG2 LYS 49 HG2 LYS 49 12.944 -7.637 14.915 421 HG3 LYS 49 HG3 LYS 49 13.148 -8.985 13.801 422 HD2 LYS 49 HD2 LYS 49 14.605 -7.645 12.374 423 HD3 LYS 49 HD3 LYS 49 14.326 -6.210 13.363 424 HE2 LYS 49 HE2 LYS 49 16.510 -7.236 13.854 425 HE3 LYS 49 HE3 LYS 49 15.454 -7.300 15.263 426 HZ1 LYS 49 HZ1 LYS 49 16.658 -9.367 14.903 427 HZ2 LYS 49 HZ2 LYS 49 15.932 -9.551 13.386 428 HZ3 LYS 49 HZ3 LYS 49 14.990 -9.602 14.787 429 H GLN 50 H GLN 50 11.148 -4.710 11.259 430 HA GLN 50 HA GLN 50 13.648 -3.264 11.506 431 HB2 GLN 50 HB2 GLN 50 11.393 -2.813 9.488 432 HB3 GLN 50 HB3 GLN 50 13.027 -2.178 9.365 433 HG2 GLN 50 HG2 GLN 50 12.160 -5.062 9.126 434 HG3 GLN 50 HG3 GLN 50 12.771 -4.032 7.840 435 HE21 GLN 50 HE21 GLN 50 13.586 -6.001 10.584 436 HE22 GLN 50 HE22 GLN 50 15.296 -6.020 10.332 437 H GLY 51 H GLY 51 10.434 -2.789 12.609 438 HA2 GLY 51 HA2 GLY 51 9.342 -1.083 13.694 439 HA3 GLY 51 HA3 GLY 51 10.889 -0.261 13.824 440 H ARG 52 H ARG 52 9.818 -1.187 10.718 441 HA ARG 52 HA ARG 52 9.198 1.599 9.941 442 HB2 ARG 52 HB2 ARG 52 10.941 -0.515 8.586 443 HB3 ARG 52 HB3 ARG 52 10.243 0.805 7.658 444 HG2 ARG 52 HG2 ARG 52 12.165 1.122 9.993 445 HG3 ARG 52 HG3 ARG 52 12.564 1.278 8.281 446 HD2 ARG 52 HD2 ARG 52 10.786 3.148 8.195 447 HD3 ARG 52 HD3 ARG 52 10.817 3.097 9.960 448 HE ARG 52 HE ARG 52 13.256 3.622 8.373 449 HH11 ARG 52 HH11 ARG 52 10.998 4.697 10.852 450 HH12 ARG 52 HH12 ARG 52 11.990 6.038 11.331 451 HH21 ARG 52 HH21 ARG 52 14.510 5.386 8.967 452 HH22 ARG 52 HH22 ARG 52 13.985 6.427 10.255 453 HA PRO 53 HA PRO 53 5.620 -0.217 7.844 454 HB2 PRO 53 HB2 PRO 53 5.354 1.422 5.649 455 HB3 PRO 53 HB3 PRO 53 4.889 1.928 7.284 456 HG2 PRO 53 HG2 PRO 53 7.420 2.525 5.789 457 HG3 PRO 53 HG3 PRO 53 6.395 3.620 6.744 458 HD2 PRO 53 HD2 PRO 53 8.662 2.559 7.777 459 HD3 PRO 53 HD3 PRO 53 7.227 2.851 8.785 460 H ILE 54 H ILE 54 5.107 -1.505 6.023 461 HA ILE 54 HA ILE 54 7.209 -1.887 3.969 462 HB ILE 54 HB ILE 54 6.948 -4.011 5.067 463 HG12 ILE 54 HG12 ILE 54 5.395 -3.946 2.441 464 HG13 ILE 54 HG13 ILE 54 7.110 -4.261 2.656 465 HG21 ILE 54 HG21 ILE 54 3.940 -3.790 4.768 466 HG22 ILE 54 HG22 ILE 54 4.841 -3.586 6.268 467 HG23 ILE 54 HG23 ILE 54 4.812 -5.158 5.465 468 HD11 ILE 54 HD11 ILE 54 4.818 -6.056 3.417 469 HD12 ILE 54 HD12 ILE 54 6.511 -6.374 3.807 470 HD13 ILE 54 HD13 ILE 54 5.995 -6.287 2.125 471 H VAL 55 H VAL 55 6.636 -1.015 2.057 472 HA VAL 55 HA VAL 55 3.817 -0.345 1.546 473 HB VAL 55 HB VAL 55 6.297 0.590 0.021 474 HG11 VAL 55 HG11 VAL 55 4.762 2.256 -0.978 475 HG12 VAL 55 HG12 VAL 55 3.404 1.523 -0.119 476 HG13 VAL 55 HG13 VAL 55 4.264 0.606 -1.359 477 HG21 VAL 55 HG21 VAL 55 6.287 1.448 2.343 478 HG22 VAL 55 HG22 VAL 55 4.652 2.072 2.117 479 HG23 VAL 55 HG23 VAL 55 5.992 2.749 1.187 480 H VAL 56 H VAL 56 2.788 -1.975 0.676 481 HA VAL 56 HA VAL 56 4.018 -3.859 -1.201 482 HB VAL 56 HB VAL 56 1.237 -3.929 0.077 483 HG11 VAL 56 HG11 VAL 56 1.379 -5.298 -1.948 484 HG12 VAL 56 HG12 VAL 56 1.271 -6.334 -0.525 485 HG13 VAL 56 HG13 VAL 56 2.823 -6.113 -1.333 486 HG21 VAL 56 HG21 VAL 56 2.959 -3.955 1.830 487 HG22 VAL 56 HG22 VAL 56 3.781 -5.302 1.037 488 HG23 VAL 56 HG23 VAL 56 2.166 -5.528 1.716 489 H PHE 57 H PHE 57 3.860 -3.286 -3.271 490 HA PHE 57 HA PHE 57 1.738 -1.592 -4.305 491 HB2 PHE 57 HB2 PHE 57 4.181 -2.873 -5.614 492 HB3 PHE 57 HB3 PHE 57 3.085 -1.738 -6.410 493 HD1 PHE 57 HD1 PHE 57 2.730 0.565 -5.278 494 HD2 PHE 57 HD2 PHE 57 6.030 -2.004 -4.362 495 HE1 PHE 57 HE1 PHE 57 3.941 2.464 -4.302 496 HE2 PHE 57 HE2 PHE 57 7.234 -0.089 -3.399 497 HZ PHE 57 HZ PHE 57 6.188 2.139 -3.359 498 H VAL 58 H VAL 58 -0.052 -2.388 -4.981 499 HA VAL 58 HA VAL 58 -0.333 -5.135 -6.071 500 HB VAL 58 HB VAL 58 -2.348 -3.444 -4.481 501 HG11 VAL 58 HG11 VAL 58 -2.711 -6.240 -5.623 502 HG12 VAL 58 HG12 VAL 58 -3.509 -4.773 -6.195 503 HG13 VAL 58 HG13 VAL 58 -3.859 -5.394 -4.583 504 HG21 VAL 58 HG21 VAL 58 -0.593 -4.413 -3.039 505 HG22 VAL 58 HG22 VAL 58 -0.932 -6.021 -3.684 506 HG23 VAL 58 HG23 VAL 58 -2.154 -5.180 -2.726 507 H ARG 59 H ARG 59 -1.776 -5.303 -7.934 508 HA ARG 59 HA ARG 59 -1.945 -2.854 -9.567 509 HB2 ARG 59 HB2 ARG 59 -0.940 -4.854 -10.595 510 HB3 ARG 59 HB3 ARG 59 -2.372 -5.805 -10.230 511 HG2 ARG 59 HG2 ARG 59 -3.690 -4.349 -11.767 512 HG3 ARG 59 HG3 ARG 59 -2.204 -3.505 -12.196 513 HD2 ARG 59 HD2 ARG 59 -2.605 -6.490 -12.584 514 HD3 ARG 59 HD3 ARG 59 -2.958 -5.287 -13.825 515 HE ARG 59 HE ARG 59 -0.300 -4.945 -12.931 516 HH11 ARG 59 HH11 ARG 59 -2.221 -7.224 -14.838 517 HH12 ARG 59 HH12 ARG 59 -0.864 -7.726 -15.802 518 HH21 ARG 59 HH21 ARG 59 1.438 -5.594 -14.245 519 HH22 ARG 59 HH22 ARG 59 1.195 -6.810 -15.469 520 H GLY 60 H GLY 60 -3.951 -2.196 -10.559 521 HA2 GLY 60 HA2 GLY 60 -6.367 -2.454 -9.047 522 HA3 GLY 60 HA3 GLY 60 -6.177 -1.674 -10.617 523 H GLY 61 H GLY 61 -6.998 -4.612 -8.976 524 HA2 GLY 61 HA2 GLY 61 -8.673 -6.022 -10.314 525 HA3 GLY 61 HA3 GLY 61 -7.368 -6.147 -11.500 526 H ASP 62 H ASP 62 -5.386 -6.076 -9.354 527 HA ASP 62 HA ASP 62 -5.231 -8.872 -8.552 528 HB2 ASP 62 HB2 ASP 62 -3.294 -7.718 -9.566 529 HB3 ASP 62 HB3 ASP 62 -3.371 -6.452 -8.358 530 H ASP 63 H ASP 63 -7.252 -6.908 -7.387 531 HA ASP 63 HA ASP 63 -6.510 -5.973 -4.842 532 HB2 ASP 63 HB2 ASP 63 -8.344 -4.969 -6.075 533 HB3 ASP 63 HB3 ASP 63 -9.267 -6.467 -6.026 534 H GLU 64 H GLU 64 -7.744 -9.122 -5.845 535 HA GLU 64 HA GLU 64 -8.680 -10.189 -3.442 536 HB2 GLU 64 HB2 GLU 64 -8.870 -11.392 -5.586 537 HB3 GLU 64 HB3 GLU 64 -7.121 -11.589 -5.656 538 HG2 GLU 64 HG2 GLU 64 -7.256 -12.956 -3.536 539 HG3 GLU 64 HG3 GLU 64 -9.014 -12.856 -3.644 540 H ARG 65 H ARG 65 -5.411 -9.932 -4.709 541 HA ARG 65 HA ARG 65 -3.990 -11.162 -2.587 542 HB2 ARG 65 HB2 ARG 65 -2.939 -10.914 -4.731 543 HB3 ARG 65 HB3 ARG 65 -3.243 -9.182 -4.770 544 HG2 ARG 65 HG2 ARG 65 -1.609 -8.825 -2.997 545 HG3 ARG 65 HG3 ARG 65 -1.325 -10.563 -2.876 546 HD2 ARG 65 HD2 ARG 65 -0.311 -10.632 -5.040 547 HD3 ARG 65 HD3 ARG 65 -0.868 -9.006 -5.435 548 HE ARG 65 HE ARG 65 1.235 -9.642 -3.445 549 HH11 ARG 65 HH11 ARG 65 -0.215 -7.436 -5.748 550 HH12 ARG 65 HH12 ARG 65 1.055 -6.259 -5.606 551 HH21 ARG 65 HH21 ARG 65 2.924 -8.078 -3.291 552 HH22 ARG 65 HH22 ARG 65 2.826 -6.621 -4.222 553 H ALA 66 H ALA 66 -4.837 -7.737 -3.267 554 HA ALA 66 HA ALA 66 -3.402 -6.470 -1.241 555 HB1 ALA 66 HB1 ALA 66 -4.916 -4.571 -1.533 556 HB2 ALA 66 HB2 ALA 66 -6.061 -5.596 -2.408 557 HB3 ALA 66 HB3 ALA 66 -4.467 -5.269 -3.088 558 H LYS 67 H LYS 67 -6.821 -7.533 -1.138 559 HA LYS 67 HA LYS 67 -7.372 -6.635 1.490 560 HB2 LYS 67 HB2 LYS 67 -9.400 -8.175 1.337 561 HB3 LYS 67 HB3 LYS 67 -9.240 -7.002 0.037 562 HG2 LYS 67 HG2 LYS 67 -8.429 -8.689 -1.493 563 HG3 LYS 67 HG3 LYS 67 -8.341 -9.891 -0.213 564 HD2 LYS 67 HD2 LYS 67 -10.956 -8.609 -1.092 565 HD3 LYS 67 HD3 LYS 67 -10.320 -10.088 -1.814 566 HE2 LYS 67 HE2 LYS 67 -11.000 -9.729 1.123 567 HE3 LYS 67 HE3 LYS 67 -11.980 -10.578 -0.068 568 HZ1 LYS 67 HZ1 LYS 67 -10.319 -12.218 -0.338 569 HZ2 LYS 67 HZ2 LYS 67 -10.584 -12.051 1.322 570 HZ3 LYS 67 HZ3 LYS 67 -9.205 -11.375 0.613 571 H ASP 68 H ASP 68 -6.198 -9.795 0.325 572 HA ASP 68 HA ASP 68 -6.422 -11.099 2.872 573 HB2 ASP 68 HB2 ASP 68 -5.116 -11.826 0.250 574 HB3 ASP 68 HB3 ASP 68 -4.756 -12.790 1.675 575 H ILE 69 H ILE 69 -3.788 -9.398 1.241 576 HA ILE 69 HA ILE 69 -1.739 -9.844 3.178 577 HB ILE 69 HB ILE 69 -2.182 -7.622 1.129 578 HG12 ILE 69 HG12 ILE 69 -0.206 -9.952 1.104 579 HG13 ILE 69 HG13 ILE 69 -1.735 -9.922 0.229 580 HG21 ILE 69 HG21 ILE 69 0.158 -6.907 1.472 581 HG22 ILE 69 HG22 ILE 69 0.311 -8.045 2.809 582 HG23 ILE 69 HG23 ILE 69 -0.805 -6.687 2.937 583 HD11 ILE 69 HD11 ILE 69 0.144 -9.431 -1.222 584 HD12 ILE 69 HD12 ILE 69 0.577 -8.042 -0.227 585 HD13 ILE 69 HD13 ILE 69 -0.952 -8.057 -1.111 586 H ALA 70 H ALA 70 -4.274 -7.452 2.756 587 HA ALA 70 HA ALA 70 -3.550 -5.556 4.712 588 HB1 ALA 70 HB1 ALA 70 -5.812 -4.708 4.409 589 HB2 ALA 70 HB2 ALA 70 -6.314 -6.220 3.640 590 HB3 ALA 70 HB3 ALA 70 -5.142 -5.171 2.849 591 H GLU 71 H GLU 71 -5.723 -8.347 4.750 592 HA GLU 71 HA GLU 71 -6.684 -7.981 7.412 593 HB2 GLU 71 HB2 GLU 71 -7.775 -9.257 5.423 594 HB3 GLU 71 HB3 GLU 71 -6.749 -10.610 5.882 595 HG2 GLU 71 HG2 GLU 71 -8.900 -10.947 6.865 596 HG3 GLU 71 HG3 GLU 71 -7.795 -10.518 8.171 597 H TYR 72 H TYR 72 -4.078 -9.773 5.923 598 HA TYR 72 HA TYR 72 -3.267 -11.411 8.109 599 HB2 TYR 72 HB2 TYR 72 -2.640 -11.892 5.775 600 HB3 TYR 72 HB3 TYR 72 -1.779 -10.369 5.650 601 HD1 TYR 72 HD1 TYR 72 -1.637 -13.834 6.937 602 HD2 TYR 72 HD2 TYR 72 0.465 -10.118 6.631 603 HE1 TYR 72 HE1 TYR 72 0.458 -14.953 7.557 604 HE2 TYR 72 HE2 TYR 72 2.547 -11.243 7.256 605 HH TYR 72 HH TYR 72 3.348 -13.192 8.262 606 H ALA 73 H ALA 73 -2.307 -8.216 6.957 607 HA ALA 73 HA ALA 73 -0.226 -7.663 8.814 608 HB1 ALA 73 HB1 ALA 73 -0.509 -5.340 7.991 609 HB2 ALA 73 HB2 ALA 73 -1.994 -5.821 7.166 610 HB3 ALA 73 HB3 ALA 73 -0.446 -6.508 6.670 611 H GLN 74 H GLN 74 -3.644 -6.806 8.634 612 HA GLN 74 HA GLN 74 -3.857 -5.244 10.983 613 HB2 GLN 74 HB2 GLN 74 -5.361 -5.362 8.871 614 HB3 GLN 74 HB3 GLN 74 -6.130 -6.747 9.620 615 HG2 GLN 74 HG2 GLN 74 -5.998 -4.164 11.169 616 HG3 GLN 74 HG3 GLN 74 -7.139 -4.286 9.833 617 HE21 GLN 74 HE21 GLN 74 -8.737 -5.948 9.917 618 HE22 GLN 74 HE22 GLN 74 -9.291 -6.530 11.439 619 H LYS 75 H LYS 75 -4.020 -8.682 10.350 620 HA LYS 75 HA LYS 75 -5.116 -9.616 12.768 621 HB2 LYS 75 HB2 LYS 75 -4.807 -11.009 10.724 622 HB3 LYS 75 HB3 LYS 75 -3.068 -10.957 10.960 623 HG2 LYS 75 HG2 LYS 75 -3.647 -13.075 11.755 624 HG3 LYS 75 HG3 LYS 75 -3.532 -12.133 13.234 625 HD2 LYS 75 HD2 LYS 75 -6.147 -12.763 11.807 626 HD3 LYS 75 HD3 LYS 75 -5.486 -13.737 13.114 627 HE2 LYS 75 HE2 LYS 75 -6.398 -10.849 13.318 628 HE3 LYS 75 HE3 LYS 75 -7.240 -12.254 13.956 629 HZ1 LYS 75 HZ1 LYS 75 -5.381 -12.635 15.458 630 HZ2 LYS 75 HZ2 LYS 75 -6.042 -11.097 15.683 631 HZ3 LYS 75 HZ3 LYS 75 -4.586 -11.275 14.848 632 H GLU 76 H GLU 76 -1.844 -8.604 11.921 633 HA GLU 76 HA GLU 76 -0.719 -9.325 14.528 634 HB2 GLU 76 HB2 GLU 76 0.543 -7.699 12.286 635 HB3 GLU 76 HB3 GLU 76 1.377 -8.476 13.624 636 HG2 GLU 76 HG2 GLU 76 -0.048 -9.892 11.348 637 HG3 GLU 76 HG3 GLU 76 1.697 -9.722 11.540 638 H GLY 77 H GLY 77 -2.832 -7.039 13.729 639 HA2 GLY 77 HA2 GLY 77 -3.594 -5.142 14.748 640 HA3 GLY 77 HA3 GLY 77 -2.353 -5.359 15.972 641 H LEU 78 H LEU 78 -1.685 -5.052 12.528 642 HA LEU 78 HA LEU 78 0.046 -2.749 13.053 643 HB2 LEU 78 HB2 LEU 78 -0.347 -4.303 10.463 644 HB3 LEU 78 HB3 LEU 78 0.931 -3.142 10.799 645 HG LEU 78 HG LEU 78 0.586 -5.906 12.013 646 HD11 LEU 78 HD11 LEU 78 2.744 -6.399 10.975 647 HD12 LEU 78 HD12 LEU 78 2.809 -4.769 10.302 648 HD13 LEU 78 HD13 LEU 78 1.555 -5.894 9.775 649 HD21 LEU 78 HD21 LEU 78 1.324 -4.435 13.809 650 HD22 LEU 78 HD22 LEU 78 2.638 -3.821 12.806 651 HD23 LEU 78 HD23 LEU 78 2.636 -5.508 13.324 652 H ARG 79 H ARG 79 -0.084 -0.783 11.905 653 HA ARG 79 HA ARG 79 -2.724 0.181 11.301 654 HB2 ARG 79 HB2 ARG 79 -0.049 1.556 10.768 655 HB3 ARG 79 HB3 ARG 79 -1.627 2.334 10.875 656 HG2 ARG 79 HG2 ARG 79 -1.760 1.728 13.265 657 HG3 ARG 79 HG3 ARG 79 -0.183 0.950 13.152 658 HD2 ARG 79 HD2 ARG 79 0.796 3.183 12.516 659 HD3 ARG 79 HD3 ARG 79 -0.786 3.908 12.840 660 HE ARG 79 HE ARG 79 -0.115 2.446 15.086 661 HH11 ARG 79 HH11 ARG 79 1.179 5.296 13.453 662 HH12 ARG 79 HH12 ARG 79 1.867 5.947 14.909 663 HH21 ARG 79 HH21 ARG 79 0.875 3.244 16.926 664 HH22 ARG 79 HH22 ARG 79 1.693 4.777 16.876 665 H VAL 80 H VAL 80 -3.639 -0.669 9.473 666 HA VAL 80 HA VAL 80 -2.012 -1.120 7.065 667 HB VAL 80 HB VAL 80 -4.936 -1.890 7.539 668 HG11 VAL 80 HG11 VAL 80 -4.381 -1.700 5.152 669 HG12 VAL 80 HG12 VAL 80 -4.622 -3.392 5.587 670 HG13 VAL 80 HG13 VAL 80 -2.987 -2.764 5.365 671 HG21 VAL 80 HG21 VAL 80 -3.477 -3.061 9.140 672 HG22 VAL 80 HG22 VAL 80 -2.453 -3.626 7.819 673 HG23 VAL 80 HG23 VAL 80 -4.125 -4.187 7.945 674 H ILE 81 H ILE 81 -1.853 0.517 5.742 675 HA ILE 81 HA ILE 81 -4.051 2.411 5.214 676 HB ILE 81 HB ILE 81 -1.029 2.517 4.775 677 HG12 ILE 81 HG12 ILE 81 -1.308 4.806 5.924 678 HG13 ILE 81 HG13 ILE 81 -2.966 4.345 6.267 679 HG21 ILE 81 HG21 ILE 81 -1.953 3.275 2.654 680 HG22 ILE 81 HG22 ILE 81 -1.271 4.644 3.530 681 HG23 ILE 81 HG23 ILE 81 -3.018 4.411 3.487 682 HD11 ILE 81 HD11 ILE 81 -0.489 2.946 7.272 683 HD12 ILE 81 HD12 ILE 81 -2.151 2.473 7.630 684 HD13 ILE 81 HD13 ILE 81 -1.534 4.025 8.196 685 H VAL 82 H VAL 82 -4.884 2.538 3.085 686 HA VAL 82 HA VAL 82 -3.787 0.742 0.990 687 HB VAL 82 HB VAL 82 -6.762 1.127 1.644 688 HG11 VAL 82 HG11 VAL 82 -5.493 -0.536 -0.557 689 HG12 VAL 82 HG12 VAL 82 -6.433 0.942 -0.775 690 HG13 VAL 82 HG13 VAL 82 -7.209 -0.514 -0.151 691 HG21 VAL 82 HG21 VAL 82 -5.669 -0.392 3.253 692 HG22 VAL 82 HG22 VAL 82 -5.061 -1.383 1.927 693 HG23 VAL 82 HG23 VAL 82 -6.797 -1.276 2.223 694 H ILE 83 H ILE 83 -3.078 2.156 -0.587 695 HA ILE 83 HA ILE 83 -4.516 4.697 -1.112 696 HB ILE 83 HB ILE 83 -1.659 3.905 -1.894 697 HG12 ILE 83 HG12 ILE 83 -2.534 5.772 0.359 698 HG13 ILE 83 HG13 ILE 83 -2.007 4.112 0.598 699 HG21 ILE 83 HG21 ILE 83 -2.607 5.595 -3.419 700 HG22 ILE 83 HG22 ILE 83 -1.353 6.317 -2.412 701 HG23 ILE 83 HG23 ILE 83 -3.051 6.615 -2.045 702 HD11 ILE 83 HD11 ILE 83 -0.333 6.350 -0.511 703 HD12 ILE 83 HD12 ILE 83 0.191 4.677 -0.279 704 HD13 ILE 83 HD13 ILE 83 -0.256 5.666 1.111 705 H ILE 84 H ILE 84 -5.942 4.372 -2.744 706 HA ILE 84 HA ILE 84 -5.378 2.521 -4.966 707 HB ILE 84 HB ILE 84 -7.923 4.094 -4.326 708 HG12 ILE 84 HG12 ILE 84 -7.345 1.151 -3.743 709 HG13 ILE 84 HG13 ILE 84 -7.234 2.428 -2.537 710 HG21 ILE 84 HG21 ILE 84 -7.781 3.435 -6.707 711 HG22 ILE 84 HG22 ILE 84 -9.042 2.520 -5.883 712 HG23 ILE 84 HG23 ILE 84 -7.492 1.756 -6.238 713 HD11 ILE 84 HD11 ILE 84 -9.606 2.912 -2.855 714 HD12 ILE 84 HD12 ILE 84 -9.292 1.264 -2.320 715 HD13 ILE 84 HD13 ILE 84 -9.709 1.573 -4.005 716 H VAL 85 H VAL 85 -4.342 3.394 -6.652 717 HA VAL 85 HA VAL 85 -4.583 6.209 -7.412 718 HB VAL 85 HB VAL 85 -2.701 4.111 -8.602 719 HG11 VAL 85 HG11 VAL 85 -1.340 6.060 -9.280 720 HG12 VAL 85 HG12 VAL 85 -2.538 7.145 -8.572 721 HG13 VAL 85 HG13 VAL 85 -2.971 6.139 -9.955 722 HG21 VAL 85 HG21 VAL 85 -2.131 5.906 -6.217 723 HG22 VAL 85 HG22 VAL 85 -0.938 4.904 -7.046 724 HG23 VAL 85 HG23 VAL 85 -2.285 4.147 -6.192 725 H SER 86 H SER 86 -6.471 6.347 -8.531 726 HA SER 86 HA SER 86 -6.647 5.126 -11.158 727 HB2 SER 86 HB2 SER 86 -8.910 4.884 -9.114 728 HB3 SER 86 HB3 SER 86 -9.066 4.489 -10.823 729 HG SER 86 HG SER 86 -7.017 3.226 -9.435 730 H GLN 87 H GLN 87 -7.395 6.601 -12.597 731 HA GLN 87 HA GLN 87 -8.165 9.268 -11.795 732 HB2 GLN 87 HB2 GLN 87 -6.774 8.697 -13.854 733 HB3 GLN 87 HB3 GLN 87 -8.231 8.057 -14.602 734 HG2 GLN 87 HG2 GLN 87 -9.276 10.292 -14.496 735 HG3 GLN 87 HG3 GLN 87 -7.838 10.934 -13.699 736 HE21 GLN 87 HE21 GLN 87 -5.909 11.176 -14.936 737 HE22 GLN 87 HE22 GLN 87 -5.950 11.231 -16.663 738 H ASP 88 H ASP 88 -9.801 6.324 -12.356 739 HA ASP 88 HA ASP 88 -12.423 7.477 -12.947 740 HB2 ASP 88 HB2 ASP 88 -11.686 5.334 -14.005 741 HB3 ASP 88 HB3 ASP 88 -11.572 4.592 -12.409 742 H GLU 89 H GLU 89 -13.780 8.099 -11.362 743 HA GLU 89 HA GLU 89 -12.987 8.051 -8.626 744 HB2 GLU 89 HB2 GLU 89 -15.666 8.939 -9.761 745 HB3 GLU 89 HB3 GLU 89 -15.077 9.254 -8.133 746 HG2 GLU 89 HG2 GLU 89 -14.617 11.285 -9.132 747 HG3 GLU 89 HG3 GLU 89 -13.086 10.460 -9.398 748 H GLU 90 H GLU 90 -15.112 5.989 -10.490 749 HA GLU 90 HA GLU 90 -16.466 4.790 -8.246 750 HB2 GLU 90 HB2 GLU 90 -16.226 4.055 -11.178 751 HB3 GLU 90 HB3 GLU 90 -16.940 2.917 -10.044 752 HG2 GLU 90 HG2 GLU 90 -17.948 5.753 -10.381 753 HG3 GLU 90 HG3 GLU 90 -18.560 4.396 -11.321 754 H ALA 91 H ALA 91 -13.601 3.932 -10.170 755 HA ALA 91 HA ALA 91 -12.986 1.478 -8.883 756 HB1 ALA 91 HB1 ALA 91 -10.749 1.738 -9.868 757 HB2 ALA 91 HB2 ALA 91 -11.100 3.428 -10.246 758 HB3 ALA 91 HB3 ALA 91 -12.003 2.139 -11.043 759 H LEU 92 H LEU 92 -12.202 4.831 -8.170 760 HA LEU 92 HA LEU 92 -10.524 4.442 -5.928 761 HB2 LEU 92 HB2 LEU 92 -12.367 6.746 -6.680 762 HB3 LEU 92 HB3 LEU 92 -11.257 6.809 -5.325 763 HG LEU 92 HG LEU 92 -10.444 6.520 -8.246 764 HD11 LEU 92 HD11 LEU 92 -10.195 8.930 -6.406 765 HD12 LEU 92 HD12 LEU 92 -11.308 8.769 -7.766 766 HD13 LEU 92 HD13 LEU 92 -9.572 8.815 -8.058 767 HD21 LEU 92 HD21 LEU 92 -8.141 6.816 -7.449 768 HD22 LEU 92 HD22 LEU 92 -8.871 5.369 -6.765 769 HD23 LEU 92 HD23 LEU 92 -8.703 6.823 -5.776 770 H ARG 93 H ARG 93 -14.060 4.949 -6.207 771 HA ARG 93 HA ARG 93 -14.473 5.257 -3.396 772 HB2 ARG 93 HB2 ARG 93 -15.875 6.397 -5.088 773 HB3 ARG 93 HB3 ARG 93 -16.504 4.846 -5.638 774 HG2 ARG 93 HG2 ARG 93 -17.529 4.492 -3.391 775 HG3 ARG 93 HG3 ARG 93 -16.939 6.076 -2.888 776 HD2 ARG 93 HD2 ARG 93 -18.372 7.193 -4.489 777 HD3 ARG 93 HD3 ARG 93 -18.828 5.654 -5.232 778 HE ARG 93 HE ARG 93 -19.524 5.589 -2.499 779 HH11 ARG 93 HH11 ARG 93 -20.550 7.225 -5.440 780 HH12 ARG 93 HH12 ARG 93 -22.190 7.422 -4.908 781 HH21 ARG 93 HH21 ARG 93 -21.691 5.826 -1.826 782 HH22 ARG 93 HH22 ARG 93 -22.836 6.628 -2.859 783 H LYS 94 H LYS 94 -15.046 2.551 -5.645 784 HA LYS 94 HA LYS 94 -16.570 0.931 -3.860 785 HB2 LYS 94 HB2 LYS 94 -14.957 0.123 -6.319 786 HB3 LYS 94 HB3 LYS 94 -16.110 -0.918 -5.490 787 HG2 LYS 94 HG2 LYS 94 -17.952 0.600 -6.076 788 HG3 LYS 94 HG3 LYS 94 -16.811 1.714 -6.835 789 HD2 LYS 94 HD2 LYS 94 -16.184 -0.214 -8.412 790 HD3 LYS 94 HD3 LYS 94 -17.585 -1.077 -7.771 791 HE2 LYS 94 HE2 LYS 94 -17.645 1.611 -9.178 792 HE3 LYS 94 HE3 LYS 94 -18.109 0.067 -9.884 793 HZ1 LYS 94 HZ1 LYS 94 -19.928 -0.078 -8.339 794 HZ2 LYS 94 HZ2 LYS 94 -20.003 1.408 -9.149 795 HZ3 LYS 94 HZ3 LYS 94 -19.438 1.339 -7.560 796 H GLY 95 H GLY 95 -13.137 0.892 -4.827 797 HA2 GLY 95 HA2 GLY 95 -12.262 -1.133 -3.044 798 HA3 GLY 95 HA3 GLY 95 -11.259 0.113 -3.776 799 H TYR 96 H TYR 96 -12.599 2.372 -2.733 800 HA TYR 96 HA TYR 96 -11.164 2.846 -0.403 801 HB2 TYR 96 HB2 TYR 96 -11.853 4.710 -1.750 802 HB3 TYR 96 HB3 TYR 96 -13.551 4.288 -1.605 803 HD1 TYR 96 HD2 TYR 96 -10.614 5.445 0.475 804 HD2 TYR 96 HD1 TYR 96 -14.875 5.413 0.014 805 HE1 TYR 96 HE2 TYR 96 -10.839 7.054 2.312 806 HE2 TYR 96 HE1 TYR 96 -15.086 7.018 1.863 807 HH TYR 96 HH TYR 96 -12.421 8.699 3.156 808 H GLU 97 H GLU 97 -14.667 2.354 -0.764 809 HA GLU 97 HA GLU 97 -15.211 2.362 2.030 810 HB2 GLU 97 HB2 GLU 97 -16.916 1.398 -0.306 811 HB3 GLU 97 HB3 GLU 97 -17.493 1.601 1.344 812 HG2 GLU 97 HG2 GLU 97 -16.965 4.035 1.218 813 HG3 GLU 97 HG3 GLU 97 -16.459 3.813 -0.456 814 H ASP 98 H ASP 98 -14.606 -0.214 -0.324 815 HA ASP 98 HA ASP 98 -15.509 -2.422 1.183 816 HB2 ASP 98 HB2 ASP 98 -15.094 -2.604 -1.237 817 HB3 ASP 98 HB3 ASP 98 -13.373 -2.306 -0.998 818 H LYS 99 H LYS 99 -12.216 -1.043 0.888 819 HA LYS 99 HA LYS 99 -11.109 -2.859 2.847 820 HB2 LYS 99 HB2 LYS 99 -10.032 -0.768 1.001 821 HB3 LYS 99 HB3 LYS 99 -9.149 -0.940 2.512 822 HG2 LYS 99 HG2 LYS 99 -8.123 -2.317 0.779 823 HG3 LYS 99 HG3 LYS 99 -8.789 -3.342 2.049 824 HD2 LYS 99 HD2 LYS 99 -9.267 -4.369 -0.086 825 HD3 LYS 99 HD3 LYS 99 -10.788 -3.759 0.569 826 HE2 LYS 99 HE2 LYS 99 -10.606 -1.778 -0.898 827 HE3 LYS 99 HE3 LYS 99 -9.096 -2.394 -1.559 828 HZ1 LYS 99 HZ1 LYS 99 -11.759 -3.691 -1.775 829 HZ2 LYS 99 HZ2 LYS 99 -10.319 -4.344 -2.353 830 HZ3 LYS 99 HZ3 LYS 99 -10.924 -2.906 -3.018 831 H LYS 100 H LYS 100 -12.439 0.406 2.904 832 HA LYS 100 HA LYS 100 -11.302 1.316 5.344 833 HB2 LYS 100 HB2 LYS 100 -12.248 2.882 3.752 834 HB3 LYS 100 HB3 LYS 100 -13.839 2.148 3.889 835 HG2 LYS 100 HG2 LYS 100 -14.081 2.989 6.162 836 HG3 LYS 100 HG3 LYS 100 -12.429 3.618 6.145 837 HD2 LYS 100 HD2 LYS 100 -12.995 5.271 4.456 838 HD3 LYS 100 HD3 LYS 100 -14.583 4.544 4.200 839 HE2 LYS 100 HE2 LYS 100 -13.706 5.821 6.809 840 HE3 LYS 100 HE3 LYS 100 -14.635 6.647 5.558 841 HZ1 LYS 100 HZ1 LYS 100 -16.063 5.780 7.290 842 HZ2 LYS 100 HZ2 LYS 100 -15.499 4.213 7.023 843 HZ3 LYS 100 HZ3 LYS 100 -16.387 5.005 5.824 844 H LYS 101 H LYS 101 -14.305 -0.424 4.635 845 HA LYS 101 HA LYS 101 -15.404 -0.332 7.286 846 HB2 LYS 101 HB2 LYS 101 -17.038 -1.971 6.477 847 HB3 LYS 101 HB3 LYS 101 -16.815 -0.699 5.285 848 HG2 LYS 101 HG2 LYS 101 -15.374 -2.175 3.950 849 HG3 LYS 101 HG3 LYS 101 -15.562 -3.461 5.138 850 HD2 LYS 101 HD2 LYS 101 -17.832 -2.240 3.518 851 HD3 LYS 101 HD3 LYS 101 -17.017 -3.757 3.133 852 HE2 LYS 101 HE2 LYS 101 -17.786 -4.712 5.285 853 HE3 LYS 101 HE3 LYS 101 -18.607 -3.195 5.657 854 HZ1 LYS 101 HZ1 LYS 101 -20.157 -4.791 4.770 855 HZ2 LYS 101 HZ2 LYS 101 -19.213 -5.007 3.385 856 HZ3 LYS 101 HZ3 LYS 101 -19.972 -3.520 3.666 857 H LYS 102 H LYS 102 -12.967 -2.268 5.823 858 HA LYS 102 HA LYS 102 -13.105 -4.487 7.710 859 HB2 LYS 102 HB2 LYS 102 -10.954 -3.784 5.677 860 HB3 LYS 102 HB3 LYS 102 -11.123 -5.324 6.513 861 HG2 LYS 102 HG2 LYS 102 -13.248 -5.737 5.314 862 HG3 LYS 102 HG3 LYS 102 -13.080 -4.180 4.499 863 HD2 LYS 102 HD2 LYS 102 -10.885 -5.002 3.531 864 HD3 LYS 102 HD3 LYS 102 -11.236 -6.589 4.216 865 HE2 LYS 102 HE2 LYS 102 -12.848 -5.132 2.099 866 HE3 LYS 102 HE3 LYS 102 -11.824 -6.542 1.854 867 HZ1 LYS 102 HZ1 LYS 102 -13.328 -7.771 3.341 868 HZ2 LYS 102 HZ2 LYS 102 -14.087 -7.217 1.938 869 HZ3 LYS 102 HZ3 LYS 102 -14.343 -6.425 3.406 870 H GLY 103 H GLY 103 -12.069 -1.338 7.977 871 HA2 GLY 103 HA2 GLY 103 -11.247 -0.475 10.021 872 HA3 GLY 103 HA3 GLY 103 -10.378 -1.970 10.307 873 H TYR 104 H TYR 104 -10.008 -0.764 7.096 874 HA TYR 104 HA TYR 104 -7.210 -0.054 7.724 875 HB2 TYR 104 HB2 TYR 104 -8.356 -0.444 4.931 876 HB3 TYR 104 HB3 TYR 104 -6.673 -0.555 5.438 877 HD1 TYR 104 HD2 TYR 104 -7.200 -2.451 7.906 878 HD2 TYR 104 HD1 TYR 104 -8.505 -2.555 3.843 879 HE1 TYR 104 HE2 TYR 104 -7.500 -4.890 8.048 880 HE2 TYR 104 HE1 TYR 104 -8.804 -4.973 3.998 881 HH TYR 104 HH TYR 104 -8.780 -6.644 6.945 882 H ASP 105 H ASP 105 -6.313 1.941 7.103 883 HA ASP 105 HA ASP 105 -8.185 4.154 6.728 884 HB2 ASP 105 HB2 ASP 105 -6.104 4.060 8.368 885 HB3 ASP 105 HB3 ASP 105 -5.151 4.421 6.931 886 H VAL 106 H VAL 106 -8.807 4.399 4.588 887 HA VAL 106 HA VAL 106 -6.906 3.653 2.452 888 HB VAL 106 HB VAL 106 -9.946 3.922 2.217 889 HG11 VAL 106 HG11 VAL 106 -7.897 2.633 0.364 890 HG12 VAL 106 HG12 VAL 106 -8.786 4.126 0.059 891 HG13 VAL 106 HG13 VAL 106 -9.647 2.590 0.137 892 HG21 VAL 106 HG21 VAL 106 -8.307 1.403 2.685 893 HG22 VAL 106 HG22 VAL 106 -10.040 1.454 2.346 894 HG23 VAL 106 HG23 VAL 106 -9.411 2.157 3.838 895 H TYR 107 H TYR 107 -6.092 5.208 1.190 896 HA TYR 107 HA TYR 107 -7.394 7.853 0.953 897 HB2 TYR 107 HB2 TYR 107 -4.556 7.025 0.152 898 HB3 TYR 107 HB3 TYR 107 -5.206 8.666 0.203 899 HD1 TYR 107 HD1 TYR 107 -6.209 9.354 2.629 900 HD2 TYR 107 HD2 TYR 107 -3.224 6.366 1.985 901 HE1 TYR 107 HE1 TYR 107 -5.494 9.541 4.981 902 HE2 TYR 107 HE2 TYR 107 -2.518 6.559 4.324 903 HH TYR 107 HH TYR 107 -4.328 7.884 6.667 904 H THR 108 H THR 108 -7.905 8.631 -1.067 905 HA THR 108 HA THR 108 -7.747 6.809 -3.405 906 HB THR 108 HB THR 108 -9.600 8.234 -4.355 907 HG1 THR 108 HG1 THR 108 -8.958 10.001 -2.660 908 HG21 THR 108 HG21 THR 108 -10.175 6.136 -3.152 909 HG22 THR 108 HG22 THR 108 -11.422 7.365 -2.944 910 HG23 THR 108 HG23 THR 108 -10.286 7.031 -1.635 911 H SER 109 H SER 109 -6.874 7.619 -5.352 912 HA SER 109 HA SER 109 -5.786 10.339 -5.435 913 HB2 SER 109 HB2 SER 109 -3.532 9.382 -6.208 914 HB3 SER 109 HB3 SER 109 -3.903 9.222 -4.501 915 HG SER 109 HG SER 109 -4.625 7.056 -5.021 916 H ARG 110 H ARG 110 -5.706 11.208 -7.382 917 HA ARG 110 HA ARG 110 -7.215 10.126 -9.536 918 HB2 ARG 110 HB2 ARG 110 -5.355 12.547 -9.424 919 HB3 ARG 110 HB3 ARG 110 -6.526 12.239 -10.699 920 HG2 ARG 110 HG2 ARG 110 -7.236 12.701 -7.788 921 HG3 ARG 110 HG3 ARG 110 -7.259 13.944 -9.039 922 HD2 ARG 110 HD2 ARG 110 -8.967 11.436 -8.983 923 HD3 ARG 110 HD3 ARG 110 -9.506 13.085 -8.637 924 HE ARG 110 HE ARG 110 -8.472 13.311 -11.131 925 HH11 ARG 110 HH11 ARG 110 -10.886 11.152 -9.785 926 HH12 ARG 110 HH12 ARG 110 -11.730 10.975 -11.278 927 HH21 ARG 110 HH21 ARG 110 -9.605 13.074 -13.104 928 HH22 ARG 110 HH22 ARG 110 -11.010 12.060 -13.160 929 H ASN 111 H ASN 111 -3.793 10.509 -8.893 930 HA ASN 111 HA ASN 111 -2.817 8.764 -10.925 931 HB2 ASN 111 HB2 ASN 111 -1.633 10.536 -12.317 932 HB3 ASN 111 HB3 ASN 111 -3.379 10.548 -12.496 933 HD21 ASN 111 HD21 ASN 111 -0.684 12.207 -11.006 934 HD22 ASN 111 HD22 ASN 111 -1.484 13.717 -10.796 935 H GLU 112 H GLU 112 -0.217 9.803 -11.196 936 HA GLU 112 HA GLU 112 0.981 8.776 -8.927 937 HB2 GLU 112 HB2 GLU 112 2.117 8.810 -11.064 938 HB3 GLU 112 HB3 GLU 112 2.156 10.563 -11.091 939 HG2 GLU 112 HG2 GLU 112 3.518 9.384 -8.728 940 HG3 GLU 112 HG3 GLU 112 4.236 8.910 -10.257 941 H ASP 113 H ASP 113 0.283 12.174 -9.661 942 HA ASP 113 HA ASP 113 1.917 13.379 -7.712 943 HB2 ASP 113 HB2 ASP 113 -0.691 14.363 -8.950 944 HB3 ASP 113 HB3 ASP 113 0.365 15.370 -7.965 945 H GLU 114 H GLU 114 -1.559 12.576 -7.533 946 HA GLU 114 HA GLU 114 -1.887 13.360 -4.791 947 HB2 GLU 114 HB2 GLU 114 -3.615 11.727 -6.694 948 HB3 GLU 114 HB3 GLU 114 -4.089 12.025 -5.025 949 HG2 GLU 114 HG2 GLU 114 -5.196 13.585 -6.539 950 HG3 GLU 114 HG3 GLU 114 -4.120 14.429 -5.430 951 H ALA 115 H ALA 115 -1.198 10.348 -6.464 952 HA ALA 115 HA ALA 115 -1.407 8.502 -4.356 953 HB1 ALA 115 HB1 ALA 115 0.018 7.055 -5.742 954 HB2 ALA 115 HB2 ALA 115 0.448 8.435 -6.759 955 HB3 ALA 115 HB3 ALA 115 -1.216 7.850 -6.720 956 H LYS 116 H LYS 116 1.203 10.593 -5.448 957 HA LYS 116 HA LYS 116 3.323 9.506 -3.893 958 HB2 LYS 116 HB2 LYS 116 3.792 10.750 -5.941 959 HB3 LYS 116 HB3 LYS 116 3.004 12.192 -5.313 960 HG2 LYS 116 HG2 LYS 116 4.775 12.575 -3.722 961 HG3 LYS 116 HG3 LYS 116 5.503 11.000 -4.044 962 HD2 LYS 116 HD2 LYS 116 5.323 13.309 -6.019 963 HD3 LYS 116 HD3 LYS 116 6.769 12.832 -5.129 964 HE2 LYS 116 HE2 LYS 116 6.766 10.650 -6.281 965 HE3 LYS 116 HE3 LYS 116 5.301 11.104 -7.154 966 HZ1 LYS 116 HZ1 LYS 116 7.989 12.324 -7.394 967 HZ2 LYS 116 HZ2 LYS 116 6.599 12.987 -8.089 968 HZ3 LYS 116 HZ3 LYS 116 7.138 11.464 -8.579 969 H LYS 117 H LYS 117 1.141 12.317 -3.519 970 HA LYS 117 HA LYS 117 2.249 13.353 -1.134 971 HB2 LYS 117 HB2 LYS 117 -0.542 13.577 -2.316 972 HB3 LYS 117 HB3 LYS 117 -0.123 14.348 -0.788 973 HG2 LYS 117 HG2 LYS 117 1.686 15.611 -1.953 974 HG3 LYS 117 HG3 LYS 117 1.166 14.903 -3.483 975 HD2 LYS 117 HD2 LYS 117 -0.637 16.582 -1.695 976 HD3 LYS 117 HD3 LYS 117 0.293 17.245 -3.036 977 HE2 LYS 117 HE2 LYS 117 -1.843 15.096 -3.301 978 HE3 LYS 117 HE3 LYS 117 -2.079 16.811 -3.628 979 HZ1 LYS 117 HZ1 LYS 117 -1.666 15.576 -5.650 980 HZ2 LYS 117 HZ2 LYS 117 -0.168 15.058 -5.057 981 HZ3 LYS 117 HZ3 LYS 117 -0.436 16.696 -5.357 982 H LYS 118 H LYS 118 -0.473 11.085 -1.643 983 HA LYS 118 HA LYS 118 -1.053 10.708 1.128 984 HB2 LYS 118 HB2 LYS 118 -1.834 9.041 -1.312 985 HB3 LYS 118 HB3 LYS 118 -2.498 8.811 0.304 986 HG2 LYS 118 HG2 LYS 118 -2.786 11.289 -1.417 987 HG3 LYS 118 HG3 LYS 118 -4.053 10.116 -1.041 988 HD2 LYS 118 HD2 LYS 118 -4.049 10.762 1.301 989 HD3 LYS 118 HD3 LYS 118 -2.620 11.771 1.075 990 HE2 LYS 118 HE2 LYS 118 -3.965 13.257 -0.420 991 HE3 LYS 118 HE3 LYS 118 -5.396 12.288 -0.039 992 HZ1 LYS 118 HZ1 LYS 118 -5.247 14.237 1.372 993 HZ2 LYS 118 HZ2 LYS 118 -3.724 13.761 1.929 994 HZ3 LYS 118 HZ3 LYS 118 -5.088 12.836 2.301 995 H LEU 119 H LEU 119 1.111 9.150 -1.079 996 HA LEU 119 HA LEU 119 1.699 6.784 0.361 997 HB2 LEU 119 HB2 LEU 119 2.219 7.081 -2.018 998 HB3 LEU 119 HB3 LEU 119 3.341 8.376 -1.635 999 HG LEU 119 HG LEU 119 4.884 6.790 -0.578 1000 HD11 LEU 119 HD11 LEU 119 2.821 4.649 -1.206 1001 HD12 LEU 119 HD12 LEU 119 3.327 5.192 0.396 1002 HD13 LEU 119 HD13 LEU 119 4.468 4.348 -0.644 1003 HD21 LEU 119 HD21 LEU 119 5.522 5.517 -2.596 1004 HD22 LEU 119 HD22 LEU 119 5.095 7.179 -2.983 1005 HD23 LEU 119 HD23 LEU 119 3.951 5.874 -3.319 1006 H LYS 120 H LYS 120 3.318 9.920 0.127 1007 HA LYS 120 HA LYS 120 5.350 9.341 2.051 1008 HB2 LYS 120 HB2 LYS 120 4.450 12.020 0.914 1009 HB3 LYS 120 HB3 LYS 120 5.947 11.732 1.804 1010 HG2 LYS 120 HG2 LYS 120 6.791 10.280 0.032 1011 HG3 LYS 120 HG3 LYS 120 5.250 10.384 -0.827 1012 HD2 LYS 120 HD2 LYS 120 6.811 11.865 -1.933 1013 HD3 LYS 120 HD3 LYS 120 5.621 12.861 -1.089 1014 HE2 LYS 120 HE2 LYS 120 7.903 13.744 -0.804 1015 HE3 LYS 120 HE3 LYS 120 7.231 13.227 0.746 1016 HZ1 LYS 120 HZ1 LYS 120 9.501 12.474 0.497 1017 HZ2 LYS 120 HZ2 LYS 120 9.126 11.687 -0.944 1018 HZ3 LYS 120 HZ3 LYS 120 8.465 11.141 0.510 1019 H GLU 121 H GLU 121 2.147 10.815 2.181 1020 HA GLU 121 HA GLU 121 2.235 11.837 4.834 1021 HB2 GLU 121 HB2 GLU 121 -0.046 11.002 3.001 1022 HB3 GLU 121 HB3 GLU 121 -0.374 11.485 4.663 1023 HG2 GLU 121 HG2 GLU 121 0.487 13.713 4.277 1024 HG3 GLU 121 HG3 GLU 121 1.115 13.252 2.695 1025 H ALA 122 H ALA 122 1.349 8.668 3.502 1026 HA ALA 122 HA ALA 122 0.660 7.413 5.977 1027 HB1 ALA 122 HB1 ALA 122 1.563 6.171 3.353 1028 HB2 ALA 122 HB2 ALA 122 -0.098 6.553 3.806 1029 HB3 ALA 122 HB3 ALA 122 0.790 5.316 4.694 1030 H LEU 123 H LEU 123 3.691 7.906 4.243 1031 HA LEU 123 HA LEU 123 5.358 6.227 5.854 1032 HB2 LEU 123 HB2 LEU 123 5.971 8.537 3.970 1033 HB3 LEU 123 HB3 LEU 123 7.235 7.629 4.790 1034 HG LEU 123 HG LEU 123 5.215 6.380 2.879 1035 HD11 LEU 123 HD11 LEU 123 7.019 6.276 1.214 1036 HD12 LEU 123 HD12 LEU 123 8.090 7.164 2.301 1037 HD13 LEU 123 HD13 LEU 123 6.648 7.944 1.651 1038 HD21 LEU 123 HD21 LEU 123 6.086 4.789 4.519 1039 HD22 LEU 123 HD22 LEU 123 7.744 5.229 4.104 1040 HD23 LEU 123 HD23 LEU 123 6.718 4.427 2.913 1041 H GLU 124 H GLU 124 4.395 9.634 6.023 1042 HA GLU 124 HA GLU 124 6.131 10.436 8.147 1043 HB2 GLU 124 HB2 GLU 124 3.491 11.596 7.157 1044 HB3 GLU 124 HB3 GLU 124 4.488 12.365 8.386 1045 HG2 GLU 124 HG2 GLU 124 6.295 12.707 6.779 1046 HG3 GLU 124 HG3 GLU 124 5.407 11.813 5.549 1047 H LYS 125 H LYS 125 2.878 9.079 7.992 1048 HA LYS 125 HA LYS 125 2.247 9.320 10.785 1049 HB2 LYS 125 HB2 LYS 125 0.940 7.738 8.523 1050 HB3 LYS 125 HB3 LYS 125 0.298 7.781 10.165 1051 HG2 LYS 125 HG2 LYS 125 -0.016 10.208 10.013 1052 HG3 LYS 125 HG3 LYS 125 0.665 10.214 8.385 1053 HD2 LYS 125 HD2 LYS 125 -1.204 8.836 7.575 1054 HD3 LYS 125 HD3 LYS 125 -1.870 8.740 9.207 1055 HE2 LYS 125 HE2 LYS 125 -2.211 11.194 9.202 1056 HE3 LYS 125 HE3 LYS 125 -1.550 11.276 7.567 1057 HZ1 LYS 125 HZ1 LYS 125 -3.982 11.280 7.610 1058 HZ2 LYS 125 HZ2 LYS 125 -3.978 9.753 8.333 1059 HZ3 LYS 125 HZ3 LYS 125 -3.369 9.951 6.770 1060 H SER 126 H SER 126 4.044 7.009 8.944 1061 HA SER 126 HA SER 126 3.914 4.944 11.019 1062 HB2 SER 126 HB2 SER 126 5.451 3.699 9.449 1063 HB3 SER 126 HB3 SER 126 3.896 4.138 8.749 1064 HG SER 126 HG SER 126 4.915 5.207 7.298 1065 H GLY 127 H GLY 127 5.859 7.659 10.188 1066 HA2 GLY 127 HA2 GLY 127 7.187 8.525 12.078 1067 HA3 GLY 127 HA3 GLY 127 7.867 6.915 12.259 1068 H SER 128 H SER 128 7.860 6.906 9.114 1069 HA SER 128 HA SER 128 10.600 7.659 8.802 1070 HB2 SER 128 HB2 SER 128 8.505 6.877 6.720 1071 HB3 SER 128 HB3 SER 128 10.245 6.968 6.427 1072 HG SER 128 HG SER 128 10.493 5.102 7.378 1073 H LEU 129 H LEU 129 11.332 9.685 8.445 1074 HA LEU 129 HA LEU 129 9.674 11.710 7.043 1075 HB2 LEU 129 HB2 LEU 129 11.297 12.151 9.594 1076 HB3 LEU 129 HB3 LEU 129 10.499 13.424 8.685 1077 HG LEU 129 HG LEU 129 9.011 11.124 10.020 1078 HD11 LEU 129 HD11 LEU 129 8.359 12.693 11.782 1079 HD12 LEU 129 HD12 LEU 129 9.382 13.946 11.071 1080 HD13 LEU 129 HD13 LEU 129 10.109 12.482 11.737 1081 HD21 LEU 129 HD21 LEU 129 7.790 12.095 8.149 1082 HD22 LEU 129 HD22 LEU 129 7.993 13.715 8.817 1083 HD23 LEU 129 HD23 LEU 129 7.010 12.523 9.671 1084 H GLU 130 H GLU 130 10.785 12.976 5.627 1085 HA GLU 130 HA GLU 130 13.632 13.408 5.714 1086 HB2 GLU 130 HB2 GLU 130 13.666 11.209 4.620 1087 HB3 GLU 130 HB3 GLU 130 12.438 11.710 3.467 1088 HG2 GLU 130 HG2 GLU 130 14.625 11.633 2.402 1089 HG3 GLU 130 HG3 GLU 130 14.042 13.295 2.453 1090 H HIS 131 H HIS 131 11.180 13.292 3.134 1091 HA HIS 131 HA HIS 131 11.670 16.037 2.382 1092 HB2 HIS 131 HB2 HIS 131 9.581 14.077 1.341 1093 HB3 HIS 131 HB3 HIS 131 10.031 15.607 0.596 1094 HD2 HIS 131 HD2 HIS 131 12.786 15.598 -0.416 1095 HE1 HIS 131 HE1 HIS 131 12.689 11.402 -0.908 1096 HE2 HIS 131 HE2 HIS 131 13.946 13.530 -1.453 1097 H HIS 132 H HIS 132 11.002 17.351 4.003 1098 HA HIS 132 HA HIS 132 8.693 17.180 5.574 1099 HB2 HIS 132 HB2 HIS 132 10.558 18.706 6.122 1100 HB3 HIS 132 HB3 HIS 132 10.244 19.650 4.673 1101 HD2 HIS 132 HD2 HIS 132 8.485 18.923 8.130 1102 HE1 HIS 132 HE1 HIS 132 7.140 22.622 6.582 1103 HE2 HIS 132 HE2 HIS 132 7.263 21.148 8.642 1104 H HIS 133 H HIS 133 6.616 17.342 5.007 1105 HA HIS 133 HA HIS 133 5.775 17.950 2.339 1106 HB2 HIS 133 HB2 HIS 133 4.667 16.223 3.774 1107 HB3 HIS 133 HB3 HIS 133 4.105 17.486 4.863 1108 HD1 HIS 133 HD1 HIS 133 1.784 18.217 4.415 1109 HD2 HIS 133 HD2 HIS 133 3.561 16.660 1.002 1110 HE1 HIS 133 HE1 HIS 133 -0.004 18.222 2.667 1111 HE2 HIS 133 HE2 HIS 133 1.170 17.539 0.563 1112 H HIS 134 H HIS 134 6.527 20.059 2.039 1113 HA HIS 134 HA HIS 134 5.392 22.274 3.645 1114 HB2 HIS 134 HB2 HIS 134 7.324 23.613 2.869 1115 HB3 HIS 134 HB3 HIS 134 7.871 22.132 3.644 1116 HD1 HIS 134 HD1 HIS 134 9.371 20.610 2.292 1117 HD2 HIS 134 HD2 HIS 134 7.672 23.612 -0.025 1118 HE1 HIS 134 HE1 HIS 134 10.514 20.481 0.065 1119 HE2 HIS 134 HE2 HIS 134 9.306 22.137 -1.370 1120 H HIS 135 H HIS 135 4.871 24.253 2.525 1121 HA HIS 135 HA HIS 135 3.405 23.824 0.049 1122 HB2 HIS 135 HB2 HIS 135 2.388 25.079 1.936 1123 HB3 HIS 135 HB3 HIS 135 3.645 26.307 1.809 1124 HD1 HIS 135 HD1 HIS 135 3.272 28.151 0.127 1125 HD2 HIS 135 HD2 HIS 135 0.575 25.028 -0.326 1126 HE1 HIS 135 HE1 HIS 135 1.622 28.933 -1.588 1127 HE2 HIS 135 HE2 HIS 135 0.042 27.008 -1.897 1128 H HIS 136 H HIS 136 4.962 23.605 -1.551 1129 HA HIS 136 HA HIS 136 6.941 25.641 -2.100 1130 HB2 HIS 136 HB2 HIS 136 7.420 23.336 -2.804 1131 HB3 HIS 136 HB3 HIS 136 5.967 23.298 -3.800 1132 HD1 HIS 136 HD1 HIS 136 6.220 24.074 -6.182 1133 HD2 HIS 136 HD2 HIS 136 9.431 25.258 -3.824 1134 HE1 HIS 136 HE1 HIS 136 7.876 25.100 -7.761 1135 HE2 HIS 136 HE2 HIS 136 9.818 25.789 -6.324 Start of MODEL 2 1 H1 MET 1 H1 MET 1 1.796 -1.284 16.138 2 H2 MET 1 H2 MET 1 1.505 -2.558 17.208 3 H3 MET 1 H3 MET 1 1.661 -2.862 15.559 4 HA MET 1 HA MET 1 3.783 -1.786 17.293 5 HB2 MET 1 HB2 MET 1 4.835 -4.016 17.151 6 HB3 MET 1 HB3 MET 1 3.249 -4.123 17.893 7 HG2 MET 1 HG2 MET 1 2.304 -5.005 15.823 8 HG3 MET 1 HG3 MET 1 3.852 -4.809 15.005 9 HE1 MET 1 HE1 MET 1 6.071 -7.478 16.888 10 HE2 MET 1 HE2 MET 1 5.900 -5.783 17.342 11 HE3 MET 1 HE3 MET 1 6.053 -6.230 15.642 12 H GLY 2 H GLY 2 2.556 -1.512 14.293 13 HA2 GLY 2 HA2 GLY 2 4.784 -0.459 12.998 14 HA3 GLY 2 HA3 GLY 2 4.707 -2.160 12.531 15 H VAL 3 H VAL 3 4.379 -1.065 10.323 16 HA VAL 3 HA VAL 3 1.494 -0.745 9.781 17 HB VAL 3 HB VAL 3 3.605 1.359 9.056 18 HG11 VAL 3 HG11 VAL 3 0.728 1.250 8.080 19 HG12 VAL 3 HG12 VAL 3 2.167 1.007 7.085 20 HG13 VAL 3 HG13 VAL 3 1.859 2.582 7.816 21 HG21 VAL 3 HG21 VAL 3 1.056 1.538 10.701 22 HG22 VAL 3 HG22 VAL 3 2.047 2.920 10.249 23 HG23 VAL 3 HG23 VAL 3 2.711 1.667 11.296 24 H VAL 4 H VAL 4 0.859 -1.422 7.735 25 HA VAL 4 HA VAL 4 2.914 -2.165 5.727 26 HB VAL 4 HB VAL 4 0.305 -3.675 6.292 27 HG11 VAL 4 HG11 VAL 4 1.055 -5.277 4.560 28 HG12 VAL 4 HG12 VAL 4 2.445 -4.250 4.201 29 HG13 VAL 4 HG13 VAL 4 0.808 -3.665 3.887 30 HG21 VAL 4 HG21 VAL 4 3.175 -4.579 6.721 31 HG22 VAL 4 HG22 VAL 4 1.732 -5.565 6.961 32 HG23 VAL 4 HG23 VAL 4 2.014 -4.159 7.986 33 H ILE 5 H ILE 5 2.695 -0.699 4.153 34 HA ILE 5 HA ILE 5 0.103 0.487 3.440 35 HB ILE 5 HB ILE 5 2.929 1.102 2.431 36 HG12 ILE 5 HG12 ILE 5 1.237 2.630 4.467 37 HG13 ILE 5 HG13 ILE 5 2.626 1.626 4.860 38 HG21 ILE 5 HG21 ILE 5 1.947 3.181 1.494 39 HG22 ILE 5 HG22 ILE 5 0.343 2.638 1.979 40 HG23 ILE 5 HG23 ILE 5 1.246 1.737 0.764 41 HD11 ILE 5 HD11 ILE 5 2.664 4.168 3.246 42 HD12 ILE 5 HD12 ILE 5 4.066 3.150 3.594 43 HD13 ILE 5 HD13 ILE 5 3.210 3.954 4.909 44 H LEU 6 H LEU 6 -1.037 -0.919 2.111 45 HA LEU 6 HA LEU 6 0.255 -2.272 -0.164 46 HB2 LEU 6 HB2 LEU 6 -2.643 -2.372 0.748 47 HB3 LEU 6 HB3 LEU 6 -1.893 -3.440 -0.411 48 HG LEU 6 HG LEU 6 -1.113 -3.339 2.528 49 HD11 LEU 6 HD11 LEU 6 -2.430 -5.384 2.835 50 HD12 LEU 6 HD12 LEU 6 -3.016 -5.275 1.172 51 HD13 LEU 6 HD13 LEU 6 -3.449 -4.031 2.348 52 HD21 LEU 6 HD21 LEU 6 -0.061 -5.509 2.083 53 HD22 LEU 6 HD22 LEU 6 0.630 -4.236 1.083 54 HD23 LEU 6 HD23 LEU 6 -0.509 -5.387 0.378 55 H VAL 7 H VAL 7 0.562 -0.812 -1.809 56 HA VAL 7 HA VAL 7 -1.456 1.234 -2.429 57 HB VAL 7 HB VAL 7 1.288 0.802 -3.720 58 HG11 VAL 7 HG11 VAL 7 -0.252 2.078 -5.161 59 HG12 VAL 7 HG12 VAL 7 1.043 3.110 -4.561 60 HG13 VAL 7 HG13 VAL 7 -0.569 3.214 -3.846 61 HG21 VAL 7 HG21 VAL 7 2.095 2.660 -2.308 62 HG22 VAL 7 HG22 VAL 7 1.540 1.305 -1.324 63 HG23 VAL 7 HG23 VAL 7 0.526 2.739 -1.499 64 H LEU 8 H LEU 8 -3.120 0.461 -3.630 65 HA LEU 8 HA LEU 8 -2.802 -1.654 -5.632 66 HB2 LEU 8 HB2 LEU 8 -5.223 -0.170 -4.515 67 HB3 LEU 8 HB3 LEU 8 -5.358 -1.227 -5.910 68 HG LEU 8 HG LEU 8 -4.599 -3.152 -4.501 69 HD11 LEU 8 HD11 LEU 8 -3.307 -2.000 -2.802 70 HD12 LEU 8 HD12 LEU 8 -4.578 -2.962 -2.053 71 HD13 LEU 8 HD13 LEU 8 -4.760 -1.210 -2.185 72 HD21 LEU 8 HD21 LEU 8 -6.986 -2.769 -4.884 73 HD22 LEU 8 HD22 LEU 8 -7.070 -1.701 -3.481 74 HD23 LEU 8 HD23 LEU 8 -6.720 -3.419 -3.268 75 H THR 9 H THR 9 -1.944 -0.920 -7.524 76 HA THR 9 HA THR 9 -2.670 1.767 -8.547 77 HB THR 9 HB THR 9 -0.544 1.469 -9.950 78 HG1 THR 9 HG1 THR 9 -0.014 -0.670 -8.127 79 HG21 THR 9 HG21 THR 9 -0.144 1.414 -6.932 80 HG22 THR 9 HG22 THR 9 -0.499 2.850 -7.897 81 HG23 THR 9 HG23 THR 9 1.026 1.992 -8.120 82 H GLY 10 H GLY 10 -3.622 1.941 -10.488 83 HA2 GLY 10 HA2 GLY 10 -4.278 -0.431 -12.101 84 HA3 GLY 10 HA3 GLY 10 -4.985 1.179 -12.237 85 H ASP 11 H ASP 11 -1.546 0.829 -11.956 86 HA ASP 11 HA ASP 11 -0.880 0.641 -14.712 87 HB2 ASP 11 HB2 ASP 11 -1.655 3.034 -14.633 88 HB3 ASP 11 HB3 ASP 11 -0.456 3.368 -13.390 89 H GLU 12 H GLU 12 1.233 0.076 -14.925 90 HA GLU 12 HA GLU 12 2.575 -0.937 -12.618 91 HB2 GLU 12 HB2 GLU 12 2.536 -2.061 -14.838 92 HB3 GLU 12 HB3 GLU 12 3.484 -0.744 -15.518 93 HG2 GLU 12 HG2 GLU 12 5.324 -1.348 -13.883 94 HG3 GLU 12 HG3 GLU 12 4.378 -2.776 -13.454 95 H ARG 13 H ARG 13 3.253 1.703 -14.911 96 HA ARG 13 HA ARG 13 5.854 2.284 -13.924 97 HB2 ARG 13 HB2 ARG 13 3.982 3.888 -15.703 98 HB3 ARG 13 HB3 ARG 13 5.595 4.442 -15.269 99 HG2 ARG 13 HG2 ARG 13 4.950 1.904 -16.796 100 HG3 ARG 13 HG3 ARG 13 5.577 3.399 -17.484 101 HD2 ARG 13 HD2 ARG 13 7.648 3.134 -16.136 102 HD3 ARG 13 HD3 ARG 13 7.019 1.615 -15.488 103 HE ARG 13 HE ARG 13 6.979 1.406 -18.265 104 HH11 ARG 13 HH11 ARG 13 9.434 1.694 -15.738 105 HH12 ARG 13 HH12 ARG 13 10.627 0.849 -16.673 106 HH21 ARG 13 HH21 ARG 13 8.569 0.328 -19.455 107 HH22 ARG 13 HH22 ARG 13 10.144 0.083 -18.762 108 H ILE 14 H ILE 14 2.634 3.572 -13.129 109 HA ILE 14 HA ILE 14 3.454 5.733 -11.511 110 HB ILE 14 HB ILE 14 0.942 4.007 -11.261 111 HG12 ILE 14 HG12 ILE 14 1.375 6.775 -12.500 112 HG13 ILE 14 HG13 ILE 14 1.085 5.285 -13.391 113 HG21 ILE 14 HG21 ILE 14 0.015 5.825 -9.838 114 HG22 ILE 14 HG22 ILE 14 1.575 6.644 -9.870 115 HG23 ILE 14 HG23 ILE 14 1.420 5.069 -9.089 116 HD11 ILE 14 HD11 ILE 14 -0.865 6.674 -11.557 117 HD12 ILE 14 HD12 ILE 14 -1.160 5.149 -12.396 118 HD13 ILE 14 HD13 ILE 14 -0.910 6.631 -13.319 119 H ALA 15 H ALA 15 2.784 2.317 -10.684 120 HA ALA 15 HA ALA 15 3.420 2.330 -7.960 121 HB1 ALA 15 HB1 ALA 15 3.853 0.079 -9.950 122 HB2 ALA 15 HB2 ALA 15 2.342 0.438 -9.116 123 HB3 ALA 15 HB3 ALA 15 3.747 -0.094 -8.193 124 H GLU 16 H GLU 16 5.527 2.080 -10.779 125 HA GLU 16 HA GLU 16 7.978 1.509 -9.445 126 HB2 GLU 16 HB2 GLU 16 7.655 1.006 -11.816 127 HB3 GLU 16 HB3 GLU 16 7.374 2.707 -12.180 128 HG2 GLU 16 HG2 GLU 16 9.698 3.222 -11.528 129 HG3 GLU 16 HG3 GLU 16 9.982 1.517 -11.190 130 H GLU 17 H GLU 17 6.392 4.531 -10.474 131 HA GLU 17 HA GLU 17 8.593 6.261 -9.890 132 HB2 GLU 17 HB2 GLU 17 5.643 6.974 -10.155 133 HB3 GLU 17 HB3 GLU 17 6.980 8.114 -10.152 134 HG2 GLU 17 HG2 GLU 17 6.216 6.138 -12.286 135 HG3 GLU 17 HG3 GLU 17 6.349 7.884 -12.411 136 H LEU 18 H LEU 18 5.829 5.112 -8.085 137 HA LEU 18 HA LEU 18 6.123 6.789 -5.793 138 HB2 LEU 18 HB2 LEU 18 4.708 4.126 -6.171 139 HB3 LEU 18 HB3 LEU 18 4.577 5.114 -4.725 140 HG LEU 18 HG LEU 18 3.617 5.911 -7.501 141 HD11 LEU 18 HD11 LEU 18 2.217 4.167 -6.505 142 HD12 LEU 18 HD12 LEU 18 1.352 5.698 -6.581 143 HD13 LEU 18 HD13 LEU 18 2.013 5.139 -5.044 144 HD21 LEU 18 HD21 LEU 18 4.379 7.881 -6.262 145 HD22 LEU 18 HD22 LEU 18 3.373 7.431 -4.884 146 HD23 LEU 18 HD23 LEU 18 2.624 7.886 -6.415 147 H ARG 19 H ARG 19 7.352 3.612 -6.748 148 HA ARG 19 HA ARG 19 8.594 2.770 -4.371 149 HB2 ARG 19 HB2 ARG 19 8.408 1.242 -6.240 150 HB3 ARG 19 HB3 ARG 19 9.337 2.304 -7.290 151 HG2 ARG 19 HG2 ARG 19 11.372 1.848 -6.027 152 HG3 ARG 19 HG3 ARG 19 10.465 0.892 -4.851 153 HD2 ARG 19 HD2 ARG 19 11.613 -0.599 -6.377 154 HD3 ARG 19 HD3 ARG 19 9.873 -0.717 -6.657 155 HE ARG 19 HE ARG 19 11.158 1.171 -8.398 156 HH11 ARG 19 HH11 ARG 19 10.429 -2.268 -8.027 157 HH12 ARG 19 HH12 ARG 19 10.568 -2.585 -9.729 158 HH21 ARG 19 HH21 ARG 19 11.405 0.701 -10.596 159 HH22 ARG 19 HH22 ARG 19 11.119 -0.909 -11.176 160 H LYS 20 H LYS 20 9.791 4.757 -7.032 161 HA LYS 20 HA LYS 20 12.408 5.289 -6.109 162 HB2 LYS 20 HB2 LYS 20 10.591 6.941 -7.923 163 HB3 LYS 20 HB3 LYS 20 12.326 7.191 -7.751 164 HG2 LYS 20 HG2 LYS 20 12.822 5.071 -8.766 165 HG3 LYS 20 HG3 LYS 20 11.124 4.586 -8.726 166 HD2 LYS 20 HD2 LYS 20 10.586 6.395 -10.356 167 HD3 LYS 20 HD3 LYS 20 12.297 6.838 -10.416 168 HE2 LYS 20 HE2 LYS 20 12.868 4.658 -11.361 169 HE3 LYS 20 HE3 LYS 20 11.200 4.108 -11.182 170 HZ1 LYS 20 HZ1 LYS 20 12.193 6.230 -13.000 171 HZ2 LYS 20 HZ2 LYS 20 10.556 5.905 -12.743 172 HZ3 LYS 20 HZ3 LYS 20 11.554 4.730 -13.429 173 H GLU 21 H GLU 21 9.306 6.774 -5.441 174 HA GLU 21 HA GLU 21 10.257 9.169 -4.238 175 HB2 GLU 21 HB2 GLU 21 7.980 8.831 -5.280 176 HB3 GLU 21 HB3 GLU 21 7.538 7.836 -3.894 177 HG2 GLU 21 HG2 GLU 21 6.679 10.151 -3.738 178 HG3 GLU 21 HG3 GLU 21 7.749 9.737 -2.398 179 H VAL 22 H VAL 22 9.269 6.011 -2.973 180 HA VAL 22 HA VAL 22 9.313 6.549 -0.214 181 HB VAL 22 HB VAL 22 9.952 3.926 -1.653 182 HG11 VAL 22 HG11 VAL 22 9.376 2.790 0.474 183 HG12 VAL 22 HG12 VAL 22 9.211 4.359 1.267 184 HG13 VAL 22 HG13 VAL 22 10.783 3.840 0.660 185 HG21 VAL 22 HG21 VAL 22 7.710 4.774 -2.188 186 HG22 VAL 22 HG22 VAL 22 7.330 4.911 -0.472 187 HG23 VAL 22 HG23 VAL 22 7.604 3.322 -1.194 188 H GLN 23 H GLN 23 11.910 5.882 -2.498 189 HA GLN 23 HA GLN 23 13.940 5.114 -0.670 190 HB2 GLN 23 HB2 GLN 23 14.352 6.416 -3.393 191 HB3 GLN 23 HB3 GLN 23 15.507 5.410 -2.520 192 HG2 GLN 23 HG2 GLN 23 12.883 4.524 -3.739 193 HG3 GLN 23 HG3 GLN 23 14.498 4.144 -4.328 194 HE21 GLN 23 HE21 GLN 23 12.213 2.424 -3.430 195 HE22 GLN 23 HE22 GLN 23 12.885 1.368 -2.238 196 H LYS 24 H LYS 24 12.817 8.249 -1.774 197 HA LYS 24 HA LYS 24 15.131 9.714 -0.759 198 HB2 LYS 24 HB2 LYS 24 12.539 10.746 -1.992 199 HB3 LYS 24 HB3 LYS 24 13.958 11.724 -1.624 200 HG2 LYS 24 HG2 LYS 24 13.759 9.509 -3.673 201 HG3 LYS 24 HG3 LYS 24 13.925 11.238 -3.990 202 HD2 LYS 24 HD2 LYS 24 16.188 11.196 -2.964 203 HD3 LYS 24 HD3 LYS 24 16.010 9.469 -2.644 204 HE2 LYS 24 HE2 LYS 24 15.772 9.108 -5.116 205 HE3 LYS 24 HE3 LYS 24 16.141 10.816 -5.358 206 HZ1 LYS 24 HZ1 LYS 24 17.929 8.822 -4.068 207 HZ2 LYS 24 HZ2 LYS 24 18.290 10.456 -4.302 208 HZ3 LYS 24 HZ3 LYS 24 18.097 9.433 -5.635 209 H HIS 25 H HIS 25 11.826 9.027 0.206 210 HA HIS 25 HA HIS 25 11.729 10.879 2.405 211 HB2 HIS 25 HB2 HIS 25 9.691 9.928 1.232 212 HB3 HIS 25 HB3 HIS 25 10.041 8.368 1.965 213 HD2 HIS 25 HD2 HIS 25 9.659 8.308 4.838 214 HE1 HIS 25 HE1 HIS 25 7.287 11.799 4.783 215 HE2 HIS 25 HE2 HIS 25 7.816 9.676 6.031 216 H ASP 26 H ASP 26 12.023 7.344 2.187 217 HA ASP 26 HA ASP 26 13.878 7.174 4.407 218 HB2 ASP 26 HB2 ASP 26 11.587 7.227 5.482 219 HB3 ASP 26 HB3 ASP 26 11.171 5.766 4.597 220 HA PRO 27 HA PRO 27 14.867 4.094 1.115 221 HB2 PRO 27 HB2 PRO 27 17.529 3.833 1.744 222 HB3 PRO 27 HB3 PRO 27 16.892 5.208 0.817 223 HG2 PRO 27 HG2 PRO 27 17.496 5.061 3.763 224 HG3 PRO 27 HG3 PRO 27 17.951 6.318 2.584 225 HD2 PRO 27 HD2 PRO 27 15.836 6.647 4.211 226 HD3 PRO 27 HD3 PRO 27 15.804 7.241 2.535 227 H ASN 28 H ASN 28 14.781 3.800 4.514 228 HA ASN 28 HA ASN 28 15.779 1.075 4.700 229 HB2 ASN 28 HB2 ASN 28 14.193 2.536 6.848 230 HB3 ASN 28 HB3 ASN 28 15.333 1.210 7.056 231 HD21 ASN 28 HD21 ASN 28 14.942 4.618 6.733 232 HD22 ASN 28 HD22 ASN 28 16.600 5.056 6.973 233 H VAL 29 H VAL 29 12.741 2.648 4.105 234 HA VAL 29 HA VAL 29 11.134 0.245 4.461 235 HB VAL 29 HB VAL 29 10.456 2.904 3.093 236 HG11 VAL 29 HG11 VAL 29 8.084 2.178 3.191 237 HG12 VAL 29 HG12 VAL 29 8.592 0.596 3.784 238 HG13 VAL 29 HG13 VAL 29 9.055 1.121 2.165 239 HG21 VAL 29 HG21 VAL 29 10.836 3.170 5.506 240 HG22 VAL 29 HG22 VAL 29 9.667 1.896 5.853 241 HG23 VAL 29 HG23 VAL 29 9.133 3.407 5.115 242 H LYS 30 H LYS 30 11.567 -1.406 3.059 243 HA LYS 30 HA LYS 30 12.207 -0.934 0.255 244 HB2 LYS 30 HB2 LYS 30 12.234 -3.343 2.019 245 HB3 LYS 30 HB3 LYS 30 11.904 -3.633 0.313 246 HG2 LYS 30 HG2 LYS 30 14.014 -2.241 -0.161 247 HG3 LYS 30 HG3 LYS 30 14.380 -2.414 1.556 248 HD2 LYS 30 HD2 LYS 30 13.850 -4.777 -0.269 249 HD3 LYS 30 HD3 LYS 30 15.451 -4.102 -0.016 250 HE2 LYS 30 HE2 LYS 30 13.690 -5.185 2.205 251 HE3 LYS 30 HE3 LYS 30 14.974 -6.104 1.414 252 HZ1 LYS 30 HZ1 LYS 30 15.701 -5.088 3.493 253 HZ2 LYS 30 HZ2 LYS 30 15.369 -3.554 2.877 254 HZ3 LYS 30 HZ3 LYS 30 16.575 -4.501 2.174 255 H THR 31 H THR 31 11.046 -2.054 -1.434 256 HA THR 31 HA THR 31 8.121 -1.752 -1.097 257 HB THR 31 HB THR 31 8.172 -0.933 -3.497 258 HG1 THR 31 HG1 THR 31 10.272 -1.855 -3.980 259 HG21 THR 31 HG21 THR 31 8.066 0.718 -1.664 260 HG22 THR 31 HG22 THR 31 9.060 1.331 -2.984 261 HG23 THR 31 HG23 THR 31 9.826 0.702 -1.523 262 H VAL 32 H VAL 32 6.981 -3.555 -1.540 263 HA VAL 32 HA VAL 32 8.244 -5.816 -2.980 264 HB VAL 32 HB VAL 32 5.768 -5.863 -1.185 265 HG11 VAL 32 HG11 VAL 32 7.503 -8.152 -2.202 266 HG12 VAL 32 HG12 VAL 32 5.880 -7.754 -2.766 267 HG13 VAL 32 HG13 VAL 32 6.122 -8.304 -1.110 268 HG21 VAL 32 HG21 VAL 32 7.209 -6.776 0.586 269 HG22 VAL 32 HG22 VAL 32 7.711 -5.149 0.124 270 HG23 VAL 32 HG23 VAL 32 8.629 -6.547 -0.439 271 HA PRO 33 HA PRO 33 5.011 -4.762 -6.094 272 HB2 PRO 33 HB2 PRO 33 6.158 -5.954 -8.252 273 HB3 PRO 33 HB3 PRO 33 6.774 -4.421 -7.597 274 HG2 PRO 33 HG2 PRO 33 7.856 -7.182 -7.253 275 HG3 PRO 33 HG3 PRO 33 8.729 -5.652 -7.475 276 HD2 PRO 33 HD2 PRO 33 8.326 -6.913 -5.015 277 HD3 PRO 33 HD3 PRO 33 8.724 -5.193 -5.225 278 H THR 34 H THR 34 3.860 -6.220 -7.800 279 HA THR 34 HA THR 34 2.371 -8.105 -6.315 280 HB THR 34 HB THR 34 1.123 -8.484 -8.443 281 HG1 THR 34 HG1 THR 34 1.916 -7.809 -10.341 282 HG21 THR 34 HG21 THR 34 0.378 -6.163 -8.818 283 HG22 THR 34 HG22 THR 34 1.771 -5.565 -7.916 284 HG23 THR 34 HG23 THR 34 0.534 -6.521 -7.098 285 H LYS 35 H LYS 35 5.005 -8.504 -8.608 286 HA LYS 35 HA LYS 35 4.636 -11.324 -9.013 287 HB2 LYS 35 HB2 LYS 35 6.943 -11.185 -10.122 288 HB3 LYS 35 HB3 LYS 35 5.659 -10.222 -10.826 289 HG2 LYS 35 HG2 LYS 35 7.605 -8.867 -10.887 290 HG3 LYS 35 HG3 LYS 35 6.588 -8.213 -9.608 291 HD2 LYS 35 HD2 LYS 35 8.947 -8.212 -8.938 292 HD3 LYS 35 HD3 LYS 35 8.009 -9.290 -7.910 293 HE2 LYS 35 HE2 LYS 35 8.855 -11.229 -9.194 294 HE3 LYS 35 HE3 LYS 35 9.814 -10.139 -10.201 295 HZ1 LYS 35 HZ1 LYS 35 11.018 -9.444 -8.221 296 HZ2 LYS 35 HZ2 LYS 35 11.138 -11.116 -8.427 297 HZ3 LYS 35 HZ3 LYS 35 10.095 -10.480 -7.260 298 H ASP 36 H ASP 36 5.848 -9.618 -6.375 299 HA ASP 36 HA ASP 36 7.161 -12.050 -5.309 300 HB2 ASP 36 HB2 ASP 36 7.268 -9.141 -4.390 301 HB3 ASP 36 HB3 ASP 36 7.892 -10.473 -3.422 302 H LYS 37 H LYS 37 4.326 -11.872 -5.729 303 HA LYS 37 HA LYS 37 2.680 -11.224 -3.620 304 HB2 LYS 37 HB2 LYS 37 1.509 -11.897 -5.521 305 HB3 LYS 37 HB3 LYS 37 2.578 -13.254 -5.833 306 HG2 LYS 37 HG2 LYS 37 0.416 -14.118 -5.307 307 HG3 LYS 37 HG3 LYS 37 1.508 -14.499 -3.987 308 HD2 LYS 37 HD2 LYS 37 0.395 -12.190 -3.021 309 HD3 LYS 37 HD3 LYS 37 -0.943 -12.781 -4.005 310 HE2 LYS 37 HE2 LYS 37 0.381 -14.112 -1.633 311 HE3 LYS 37 HE3 LYS 37 -1.320 -13.709 -1.847 312 HZ1 LYS 37 HZ1 LYS 37 -1.080 -16.040 -2.093 313 HZ2 LYS 37 HZ2 LYS 37 0.202 -15.879 -3.185 314 HZ3 LYS 37 HZ3 LYS 37 -1.361 -15.421 -3.645 315 H GLU 38 H GLU 38 4.478 -14.285 -4.018 316 HA GLU 38 HA GLU 38 3.417 -15.609 -1.718 317 HB2 GLU 38 HB2 GLU 38 6.048 -16.073 -3.191 318 HB3 GLU 38 HB3 GLU 38 5.299 -17.195 -2.061 319 HG2 GLU 38 HG2 GLU 38 4.206 -16.357 -4.753 320 HG3 GLU 38 HG3 GLU 38 4.904 -17.922 -4.348 321 H LYS 39 H LYS 39 5.996 -13.432 -2.334 322 HA LYS 39 HA LYS 39 7.550 -14.009 0.013 323 HB2 LYS 39 HB2 LYS 39 8.307 -13.438 -2.423 324 HB3 LYS 39 HB3 LYS 39 7.996 -11.760 -1.993 325 HG2 LYS 39 HG2 LYS 39 9.688 -11.822 -0.281 326 HG3 LYS 39 HG3 LYS 39 9.855 -13.575 -0.456 327 HD2 LYS 39 HD2 LYS 39 10.787 -13.320 -2.704 328 HD3 LYS 39 HD3 LYS 39 10.515 -11.575 -2.662 329 HE2 LYS 39 HE2 LYS 39 12.370 -13.061 -0.775 330 HE3 LYS 39 HE3 LYS 39 12.888 -12.248 -2.251 331 HZ1 LYS 39 HZ1 LYS 39 12.066 -10.168 -1.340 332 HZ2 LYS 39 HZ2 LYS 39 13.232 -10.858 -0.331 333 HZ3 LYS 39 HZ3 LYS 39 11.598 -10.951 0.083 334 H VAL 40 H VAL 40 4.976 -11.845 -0.822 335 HA VAL 40 HA VAL 40 5.486 -9.493 0.558 336 HB VAL 40 HB VAL 40 2.755 -10.850 0.296 337 HG11 VAL 40 HG11 VAL 40 3.394 -7.923 0.836 338 HG12 VAL 40 HG12 VAL 40 2.698 -9.067 1.983 339 HG13 VAL 40 HG13 VAL 40 1.782 -8.591 0.556 340 HG21 VAL 40 HG21 VAL 40 3.791 -10.529 -1.905 341 HG22 VAL 40 HG22 VAL 40 4.057 -8.818 -1.553 342 HG23 VAL 40 HG23 VAL 40 2.412 -9.444 -1.705 343 H LYS 41 H LYS 41 3.889 -12.430 1.810 344 HA LYS 41 HA LYS 41 3.190 -11.602 4.364 345 HB2 LYS 41 HB2 LYS 41 2.309 -13.635 3.366 346 HB3 LYS 41 HB3 LYS 41 3.911 -14.361 3.296 347 HG2 LYS 41 HG2 LYS 41 3.990 -14.466 5.744 348 HG3 LYS 41 HG3 LYS 41 2.417 -13.676 5.839 349 HD2 LYS 41 HD2 LYS 41 1.370 -15.621 4.707 350 HD3 LYS 41 HD3 LYS 41 2.950 -16.408 4.602 351 HE2 LYS 41 HE2 LYS 41 3.105 -16.498 7.044 352 HE3 LYS 41 HE3 LYS 41 1.584 -15.614 7.198 353 HZ1 LYS 41 HZ1 LYS 41 0.469 -17.484 6.106 354 HZ2 LYS 41 HZ2 LYS 41 1.232 -17.937 7.541 355 HZ3 LYS 41 HZ3 LYS 41 1.931 -18.330 6.060 356 H GLU 42 H GLU 42 6.192 -13.135 3.258 357 HA GLU 42 HA GLU 42 7.519 -13.301 5.755 358 HB2 GLU 42 HB2 GLU 42 8.477 -13.320 2.872 359 HB3 GLU 42 HB3 GLU 42 9.624 -13.368 4.205 360 HG2 GLU 42 HG2 GLU 42 7.431 -15.400 3.729 361 HG3 GLU 42 HG3 GLU 42 9.129 -15.605 3.302 362 H GLU 43 H GLU 43 7.637 -10.838 3.164 363 HA GLU 43 HA GLU 43 9.606 -9.175 4.291 364 HB2 GLU 43 HB2 GLU 43 7.318 -8.369 2.454 365 HB3 GLU 43 HB3 GLU 43 8.779 -7.437 2.732 366 HG2 GLU 43 HG2 GLU 43 8.648 -10.148 1.397 367 HG3 GLU 43 HG3 GLU 43 8.802 -8.605 0.569 368 H ILE 44 H ILE 44 6.111 -9.249 4.699 369 HA ILE 44 HA ILE 44 5.675 -6.874 6.176 370 HB ILE 44 HB ILE 44 4.108 -9.474 5.909 371 HG12 ILE 44 HG12 ILE 44 3.557 -6.632 4.938 372 HG13 ILE 44 HG13 ILE 44 4.076 -7.989 3.945 373 HG21 ILE 44 HG21 ILE 44 3.190 -7.097 7.564 374 HG22 ILE 44 HG22 ILE 44 3.606 -8.693 8.184 375 HG23 ILE 44 HG23 ILE 44 2.199 -8.493 7.141 376 HD11 ILE 44 HD11 ILE 44 1.737 -7.593 3.627 377 HD12 ILE 44 HD12 ILE 44 1.434 -7.696 5.359 378 HD13 ILE 44 HD13 ILE 44 1.947 -9.130 4.465 379 H GLU 45 H GLU 45 6.388 -10.209 7.127 380 HA GLU 45 HA GLU 45 6.146 -10.040 9.912 381 HB2 GLU 45 HB2 GLU 45 6.335 -12.161 8.648 382 HB3 GLU 45 HB3 GLU 45 7.997 -11.772 8.224 383 HG2 GLU 45 HG2 GLU 45 8.488 -11.784 10.743 384 HG3 GLU 45 HG3 GLU 45 6.892 -12.501 10.944 385 H LYS 46 H LYS 46 8.857 -9.260 7.771 386 HA LYS 46 HA LYS 46 10.847 -9.001 9.830 387 HB2 LYS 46 HB2 LYS 46 11.083 -7.676 7.106 388 HB3 LYS 46 HB3 LYS 46 12.358 -8.324 8.120 389 HG2 LYS 46 HG2 LYS 46 10.393 -9.842 6.406 390 HG3 LYS 46 HG3 LYS 46 12.142 -9.764 6.226 391 HD2 LYS 46 HD2 LYS 46 12.377 -11.073 8.355 392 HD3 LYS 46 HD3 LYS 46 10.614 -11.171 8.456 393 HE2 LYS 46 HE2 LYS 46 10.597 -12.368 6.261 394 HE3 LYS 46 HE3 LYS 46 12.358 -12.340 6.257 395 HZ1 LYS 46 HZ1 LYS 46 12.373 -13.707 8.228 396 HZ2 LYS 46 HZ2 LYS 46 11.430 -14.452 7.033 397 HZ3 LYS 46 HZ3 LYS 46 10.686 -13.662 8.318 398 H ALA 47 H ALA 47 8.909 -6.727 7.910 399 HA ALA 47 HA ALA 47 9.817 -4.295 9.071 400 HB1 ALA 47 HB1 ALA 47 7.212 -4.864 7.614 401 HB2 ALA 47 HB2 ALA 47 8.737 -4.405 6.859 402 HB3 ALA 47 HB3 ALA 47 7.904 -3.267 7.917 403 H ARG 48 H ARG 48 7.297 -6.562 9.952 404 HA ARG 48 HA ARG 48 5.745 -5.095 11.767 405 HB2 ARG 48 HB2 ARG 48 5.035 -7.307 10.990 406 HB3 ARG 48 HB3 ARG 48 6.460 -8.064 11.688 407 HG2 ARG 48 HG2 ARG 48 5.616 -7.484 13.963 408 HG3 ARG 48 HG3 ARG 48 4.161 -6.815 13.230 409 HD2 ARG 48 HD2 ARG 48 3.565 -9.043 12.349 410 HD3 ARG 48 HD3 ARG 48 5.056 -9.715 13.027 411 HE ARG 48 HE ARG 48 3.605 -8.461 15.089 412 HH11 ARG 48 HH11 ARG 48 3.309 -11.331 13.059 413 HH12 ARG 48 HH12 ARG 48 2.402 -12.209 14.246 414 HH21 ARG 48 HH21 ARG 48 2.435 -9.626 16.630 415 HH22 ARG 48 HH22 ARG 48 1.903 -11.242 16.276 416 H LYS 49 H LYS 49 8.609 -7.102 12.264 417 HA LYS 49 HA LYS 49 8.840 -6.835 15.074 418 HB2 LYS 49 HB2 LYS 49 9.861 -8.661 13.727 419 HB3 LYS 49 HB3 LYS 49 10.969 -7.507 12.993 420 HG2 LYS 49 HG2 LYS 49 11.980 -7.076 15.205 421 HG3 LYS 49 HG3 LYS 49 10.865 -8.235 15.937 422 HD2 LYS 49 HD2 LYS 49 11.840 -10.029 14.490 423 HD3 LYS 49 HD3 LYS 49 12.994 -8.850 13.852 424 HE2 LYS 49 HE2 LYS 49 14.007 -10.228 15.613 425 HE3 LYS 49 HE3 LYS 49 13.930 -8.537 16.108 426 HZ1 LYS 49 HZ1 LYS 49 12.034 -10.671 16.939 427 HZ2 LYS 49 HZ2 LYS 49 11.963 -9.051 17.419 428 HZ3 LYS 49 HZ3 LYS 49 13.267 -10.015 17.895 429 H GLN 50 H GLN 50 10.251 -5.072 12.367 430 HA GLN 50 HA GLN 50 11.958 -3.371 13.985 431 HB2 GLN 50 HB2 GLN 50 11.247 -3.322 11.028 432 HB3 GLN 50 HB3 GLN 50 12.490 -2.324 11.781 433 HG2 GLN 50 HG2 GLN 50 13.841 -4.247 12.305 434 HG3 GLN 50 HG3 GLN 50 12.539 -5.351 11.856 435 HE21 GLN 50 HE21 GLN 50 13.911 -6.410 10.370 436 HE22 GLN 50 HE22 GLN 50 14.320 -5.696 8.854 437 H GLY 51 H GLY 51 8.683 -3.326 13.039 438 HA2 GLY 51 HA2 GLY 51 6.992 -1.899 13.633 439 HA3 GLY 51 HA3 GLY 51 8.174 -0.884 14.437 440 H ARG 52 H ARG 52 8.824 -1.545 11.146 441 HA ARG 52 HA ARG 52 8.346 1.270 10.483 442 HB2 ARG 52 HB2 ARG 52 9.982 -0.930 9.159 443 HB3 ARG 52 HB3 ARG 52 9.711 0.633 8.390 444 HG2 ARG 52 HG2 ARG 52 10.747 1.740 10.372 445 HG3 ARG 52 HG3 ARG 52 11.119 0.148 11.032 446 HD2 ARG 52 HD2 ARG 52 12.656 -0.323 9.255 447 HD3 ARG 52 HD3 ARG 52 12.121 1.070 8.313 448 HE ARG 52 HE ARG 52 13.863 1.080 10.665 449 HH11 ARG 52 HH11 ARG 52 12.155 2.995 8.261 450 HH12 ARG 52 HH12 ARG 52 13.071 4.433 8.570 451 HH21 ARG 52 HH21 ARG 52 15.055 2.955 11.059 452 HH22 ARG 52 HH22 ARG 52 14.721 4.405 10.162 453 HA PRO 53 HA PRO 53 5.003 0.309 7.530 454 HB2 PRO 53 HB2 PRO 53 5.439 2.348 5.721 455 HB3 PRO 53 HB3 PRO 53 4.626 2.610 7.276 456 HG2 PRO 53 HG2 PRO 53 7.503 3.095 6.558 457 HG3 PRO 53 HG3 PRO 53 6.374 4.143 7.450 458 HD2 PRO 53 HD2 PRO 53 8.175 2.639 8.764 459 HD3 PRO 53 HD3 PRO 53 6.539 2.888 9.417 460 H ILE 54 H ILE 54 4.954 -0.925 5.677 461 HA ILE 54 HA ILE 54 7.366 -1.073 3.964 462 HB ILE 54 HB ILE 54 7.355 -3.140 5.221 463 HG12 ILE 54 HG12 ILE 54 6.236 -3.596 2.418 464 HG13 ILE 54 HG13 ILE 54 7.932 -3.406 2.848 465 HG21 ILE 54 HG21 ILE 54 5.456 -4.703 5.347 466 HG22 ILE 54 HG22 ILE 54 4.457 -3.576 4.430 467 HG23 ILE 54 HG23 ILE 54 5.030 -3.135 6.037 468 HD11 ILE 54 HD11 ILE 54 6.126 -5.701 3.568 469 HD12 ILE 54 HD12 ILE 54 7.787 -5.512 4.136 470 HD13 ILE 54 HD13 ILE 54 7.457 -5.698 2.416 471 H VAL 55 H VAL 55 6.925 -0.636 1.859 472 HA VAL 55 HA VAL 55 4.099 -0.174 1.149 473 HB VAL 55 HB VAL 55 6.647 0.716 -0.297 474 HG11 VAL 55 HG11 VAL 55 4.729 0.515 -1.821 475 HG12 VAL 55 HG12 VAL 55 5.161 2.208 -1.583 476 HG13 VAL 55 HG13 VAL 55 3.755 1.533 -0.757 477 HG21 VAL 55 HG21 VAL 55 6.196 2.963 0.620 478 HG22 VAL 55 HG22 VAL 55 6.427 1.795 1.922 479 HG23 VAL 55 HG23 VAL 55 4.801 2.339 1.506 480 H VAL 56 H VAL 56 3.299 -2.100 0.530 481 HA VAL 56 HA VAL 56 4.619 -3.788 -1.462 482 HB VAL 56 HB VAL 56 1.957 -4.207 0.016 483 HG11 VAL 56 HG11 VAL 56 2.147 -6.564 -0.730 484 HG12 VAL 56 HG12 VAL 56 3.606 -6.171 -1.641 485 HG13 VAL 56 HG13 VAL 56 2.060 -5.457 -2.103 486 HG21 VAL 56 HG21 VAL 56 3.837 -4.175 1.613 487 HG22 VAL 56 HG22 VAL 56 4.699 -5.386 0.663 488 HG23 VAL 56 HG23 VAL 56 3.181 -5.807 1.461 489 H PHE 57 H PHE 57 4.333 -2.988 -3.494 490 HA PHE 57 HA PHE 57 1.963 -1.614 -4.364 491 HB2 PHE 57 HB2 PHE 57 4.353 -2.712 -5.906 492 HB3 PHE 57 HB3 PHE 57 3.051 -1.767 -6.635 493 HD1 PHE 57 HD1 PHE 57 2.501 0.513 -5.423 494 HD2 PHE 57 HD2 PHE 57 6.260 -1.509 -5.133 495 HE1 PHE 57 HE1 PHE 57 3.577 2.610 -4.742 496 HE2 PHE 57 HE2 PHE 57 7.323 0.603 -4.459 497 HZ PHE 57 HZ PHE 57 5.988 2.658 -4.255 498 H VAL 58 H VAL 58 0.206 -2.707 -4.378 499 HA VAL 58 HA VAL 58 -0.082 -5.365 -5.615 500 HB VAL 58 HB VAL 58 -2.058 -3.668 -3.987 501 HG11 VAL 58 HG11 VAL 58 -3.468 -5.694 -3.894 502 HG12 VAL 58 HG12 VAL 58 -2.337 -6.533 -4.955 503 HG13 VAL 58 HG13 VAL 58 -3.238 -5.139 -5.554 504 HG21 VAL 58 HG21 VAL 58 -0.468 -6.124 -3.138 505 HG22 VAL 58 HG22 VAL 58 -1.696 -5.312 -2.159 506 HG23 VAL 58 HG23 VAL 58 -0.207 -4.467 -2.582 507 H ARG 59 H ARG 59 -1.652 -5.570 -7.384 508 HA ARG 59 HA ARG 59 -1.853 -3.111 -9.011 509 HB2 ARG 59 HB2 ARG 59 -0.828 -5.410 -9.787 510 HB3 ARG 59 HB3 ARG 59 -2.498 -5.925 -9.973 511 HG2 ARG 59 HG2 ARG 59 -2.887 -4.162 -11.626 512 HG3 ARG 59 HG3 ARG 59 -1.257 -3.537 -11.372 513 HD2 ARG 59 HD2 ARG 59 -0.282 -5.596 -12.267 514 HD3 ARG 59 HD3 ARG 59 -1.887 -6.317 -12.434 515 HE ARG 59 HE ARG 59 -1.532 -3.836 -13.876 516 HH11 ARG 59 HH11 ARG 59 -1.217 -7.338 -14.109 517 HH12 ARG 59 HH12 ARG 59 -1.280 -7.347 -15.842 518 HH21 ARG 59 HH21 ARG 59 -1.598 -3.851 -16.147 519 HH22 ARG 59 HH22 ARG 59 -1.495 -5.356 -17.007 520 H GLY 60 H GLY 60 -3.941 -2.834 -10.279 521 HA2 GLY 60 HA2 GLY 60 -6.110 -2.495 -8.507 522 HA3 GLY 60 HA3 GLY 60 -6.173 -2.305 -10.256 523 H GLY 61 H GLY 61 -5.380 -5.092 -10.772 524 HA2 GLY 61 HA2 GLY 61 -7.993 -6.400 -10.381 525 HA3 GLY 61 HA3 GLY 61 -6.732 -6.880 -11.510 526 H ASP 62 H ASP 62 -5.486 -6.196 -8.444 527 HA ASP 62 HA ASP 62 -5.503 -9.038 -7.586 528 HB2 ASP 62 HB2 ASP 62 -3.438 -6.824 -7.188 529 HB3 ASP 62 HB3 ASP 62 -3.426 -8.298 -6.232 530 H ASP 63 H ASP 63 -7.568 -7.019 -7.136 531 HA ASP 63 HA ASP 63 -7.501 -5.653 -4.728 532 HB2 ASP 63 HB2 ASP 63 -9.227 -5.309 -6.454 533 HB3 ASP 63 HB3 ASP 63 -9.911 -6.906 -6.127 534 H GLU 64 H GLU 64 -8.500 -8.969 -5.363 535 HA GLU 64 HA GLU 64 -9.522 -9.630 -2.822 536 HB2 GLU 64 HB2 GLU 64 -8.503 -11.306 -5.136 537 HB3 GLU 64 HB3 GLU 64 -9.029 -12.065 -3.634 538 HG2 GLU 64 HG2 GLU 64 -10.800 -12.052 -5.364 539 HG3 GLU 64 HG3 GLU 64 -11.267 -11.193 -3.898 540 H ARG 65 H ARG 65 -6.313 -10.138 -4.262 541 HA ARG 65 HA ARG 65 -5.066 -11.350 -2.035 542 HB2 ARG 65 HB2 ARG 65 -3.844 -9.685 -4.281 543 HB3 ARG 65 HB3 ARG 65 -2.926 -10.696 -3.163 544 HG2 ARG 65 HG2 ARG 65 -4.054 -12.704 -4.007 545 HG3 ARG 65 HG3 ARG 65 -5.039 -11.720 -5.090 546 HD2 ARG 65 HD2 ARG 65 -3.018 -11.026 -6.318 547 HD3 ARG 65 HD3 ARG 65 -2.013 -11.978 -5.215 548 HE ARG 65 HE ARG 65 -3.638 -13.876 -6.110 549 HH11 ARG 65 HH11 ARG 65 -1.917 -11.398 -7.936 550 HH12 ARG 65 HH12 ARG 65 -1.797 -12.386 -9.359 551 HH21 ARG 65 HH21 ARG 65 -3.481 -15.138 -8.005 552 HH22 ARG 65 HH22 ARG 65 -2.681 -14.489 -9.402 553 H ALA 66 H ALA 66 -5.572 -7.990 -2.944 554 HA ALA 66 HA ALA 66 -3.844 -6.697 -1.132 555 HB1 ALA 66 HB1 ALA 66 -6.478 -5.688 -2.262 556 HB2 ALA 66 HB2 ALA 66 -4.905 -5.574 -3.051 557 HB3 ALA 66 HB3 ALA 66 -5.196 -4.700 -1.549 558 H LYS 67 H LYS 67 -7.332 -7.479 -0.846 559 HA LYS 67 HA LYS 67 -7.581 -6.296 1.762 560 HB2 LYS 67 HB2 LYS 67 -9.909 -7.115 1.711 561 HB3 LYS 67 HB3 LYS 67 -9.473 -6.253 0.247 562 HG2 LYS 67 HG2 LYS 67 -9.108 -8.504 -0.858 563 HG3 LYS 67 HG3 LYS 67 -9.824 -9.240 0.578 564 HD2 LYS 67 HD2 LYS 67 -11.919 -7.947 0.177 565 HD3 LYS 67 HD3 LYS 67 -11.194 -7.242 -1.273 566 HE2 LYS 67 HE2 LYS 67 -11.006 -9.491 -2.268 567 HE3 LYS 67 HE3 LYS 67 -11.739 -10.196 -0.829 568 HZ1 LYS 67 HZ1 LYS 67 -13.343 -9.931 -2.593 569 HZ2 LYS 67 HZ2 LYS 67 -13.024 -8.275 -2.684 570 HZ3 LYS 67 HZ3 LYS 67 -13.745 -8.921 -1.295 571 H ASP 68 H ASP 68 -6.905 -9.539 0.615 572 HA ASP 68 HA ASP 68 -7.344 -10.863 3.133 573 HB2 ASP 68 HB2 ASP 68 -5.774 -11.737 0.673 574 HB3 ASP 68 HB3 ASP 68 -6.023 -12.761 2.086 575 H ILE 69 H ILE 69 -4.413 -9.772 1.416 576 HA ILE 69 HA ILE 69 -2.527 -10.334 3.454 577 HB ILE 69 HB ILE 69 -2.493 -8.351 1.134 578 HG12 ILE 69 HG12 ILE 69 -1.015 -11.006 1.497 579 HG13 ILE 69 HG13 ILE 69 -2.505 -10.811 0.581 580 HG21 ILE 69 HG21 ILE 69 -0.968 -7.477 2.849 581 HG22 ILE 69 HG22 ILE 69 -0.064 -8.082 1.464 582 HG23 ILE 69 HG23 ILE 69 -0.151 -9.039 2.942 583 HD11 ILE 69 HD11 ILE 69 -1.327 -9.291 -0.961 584 HD12 ILE 69 HD12 ILE 69 -0.631 -10.911 -0.912 585 HD13 ILE 69 HD13 ILE 69 0.171 -9.584 -0.070 586 H ALA 70 H ALA 70 -4.688 -7.639 2.873 587 HA ALA 70 HA ALA 70 -3.764 -5.814 4.827 588 HB1 ALA 70 HB1 ALA 70 -5.957 -4.751 4.561 589 HB2 ALA 70 HB2 ALA 70 -6.566 -6.172 3.707 590 HB3 ALA 70 HB3 ALA 70 -5.282 -5.193 2.994 591 H GLU 71 H GLU 71 -6.334 -8.325 4.943 592 HA GLU 71 HA GLU 71 -7.112 -7.966 7.638 593 HB2 GLU 71 HB2 GLU 71 -8.422 -9.264 5.943 594 HB3 GLU 71 HB3 GLU 71 -7.205 -10.535 5.977 595 HG2 GLU 71 HG2 GLU 71 -7.713 -10.901 8.394 596 HG3 GLU 71 HG3 GLU 71 -8.985 -9.687 8.287 597 H TYR 72 H TYR 72 -4.627 -9.917 6.118 598 HA TYR 72 HA TYR 72 -3.742 -11.426 8.308 599 HB2 TYR 72 HB2 TYR 72 -3.075 -12.018 6.027 600 HB3 TYR 72 HB3 TYR 72 -2.233 -10.481 5.827 601 HD1 TYR 72 HD1 TYR 72 -2.236 -13.584 7.931 602 HD2 TYR 72 HD2 TYR 72 0.102 -10.361 6.357 603 HE1 TYR 72 HE1 TYR 72 -0.209 -14.591 8.865 604 HE2 TYR 72 HE2 TYR 72 2.135 -11.390 7.291 605 HH TYR 72 HH TYR 72 2.649 -12.982 9.221 606 H ALA 73 H ALA 73 -2.472 -8.386 6.937 607 HA ALA 73 HA ALA 73 -0.424 -7.959 8.826 608 HB1 ALA 73 HB1 ALA 73 -1.829 -5.959 7.028 609 HB2 ALA 73 HB2 ALA 73 -0.418 -6.930 6.606 610 HB3 ALA 73 HB3 ALA 73 -0.293 -5.694 7.859 611 H GLN 74 H GLN 74 -3.810 -6.954 8.748 612 HA GLN 74 HA GLN 74 -3.780 -5.220 11.000 613 HB2 GLN 74 HB2 GLN 74 -5.611 -5.148 9.416 614 HB3 GLN 74 HB3 GLN 74 -6.021 -6.832 9.715 615 HG2 GLN 74 HG2 GLN 74 -6.848 -6.315 11.907 616 HG3 GLN 74 HG3 GLN 74 -6.225 -4.666 11.820 617 HE21 GLN 74 HE21 GLN 74 -7.372 -3.130 10.624 618 HE22 GLN 74 HE22 GLN 74 -8.967 -3.416 10.030 619 H LYS 75 H LYS 75 -4.261 -8.735 10.673 620 HA LYS 75 HA LYS 75 -4.694 -9.233 13.474 621 HB2 LYS 75 HB2 LYS 75 -4.263 -10.933 11.052 622 HB3 LYS 75 HB3 LYS 75 -3.800 -11.656 12.580 623 HG2 LYS 75 HG2 LYS 75 -5.979 -12.416 12.127 624 HG3 LYS 75 HG3 LYS 75 -6.160 -11.226 13.404 625 HD2 LYS 75 HD2 LYS 75 -6.638 -10.534 10.486 626 HD3 LYS 75 HD3 LYS 75 -7.896 -11.257 11.479 627 HE2 LYS 75 HE2 LYS 75 -7.805 -9.332 13.017 628 HE3 LYS 75 HE3 LYS 75 -6.519 -8.610 12.048 629 HZ1 LYS 75 HZ1 LYS 75 -8.074 -8.526 10.173 630 HZ2 LYS 75 HZ2 LYS 75 -8.629 -7.628 11.491 631 HZ3 LYS 75 HZ3 LYS 75 -9.305 -9.139 11.156 632 H GLU 76 H GLU 76 -1.808 -8.783 11.493 633 HA GLU 76 HA GLU 76 0.076 -9.745 13.468 634 HB2 GLU 76 HB2 GLU 76 0.547 -7.853 11.125 635 HB3 GLU 76 HB3 GLU 76 1.792 -8.696 12.031 636 HG2 GLU 76 HG2 GLU 76 -0.297 -9.987 10.268 637 HG3 GLU 76 HG3 GLU 76 1.387 -9.722 9.838 638 H GLY 77 H GLY 77 -1.981 -7.184 13.571 639 HA2 GLY 77 HA2 GLY 77 -2.203 -5.414 15.006 640 HA3 GLY 77 HA3 GLY 77 -0.682 -5.879 15.761 641 H LEU 78 H LEU 78 -1.257 -5.097 12.368 642 HA LEU 78 HA LEU 78 0.593 -2.781 12.553 643 HB2 LEU 78 HB2 LEU 78 0.127 -4.600 10.139 644 HB3 LEU 78 HB3 LEU 78 1.343 -3.341 10.286 645 HG LEU 78 HG LEU 78 1.295 -5.922 11.898 646 HD11 LEU 78 HD11 LEU 78 3.211 -6.638 10.560 647 HD12 LEU 78 HD12 LEU 78 3.075 -5.185 9.567 648 HD13 LEU 78 HD13 LEU 78 1.781 -6.385 9.561 649 HD21 LEU 78 HD21 LEU 78 3.456 -3.812 11.766 650 HD22 LEU 78 HD22 LEU 78 3.525 -5.330 12.663 651 HD23 LEU 78 HD23 LEU 78 2.365 -4.089 13.125 652 H ARG 79 H ARG 79 -0.173 -0.842 11.745 653 HA ARG 79 HA ARG 79 -2.888 -0.520 10.919 654 HB2 ARG 79 HB2 ARG 79 -0.505 1.363 10.684 655 HB3 ARG 79 HB3 ARG 79 -2.128 1.816 10.184 656 HG2 ARG 79 HG2 ARG 79 -1.208 1.156 12.989 657 HG3 ARG 79 HG3 ARG 79 -1.678 2.736 12.357 658 HD2 ARG 79 HD2 ARG 79 -3.447 0.335 12.853 659 HD3 ARG 79 HD3 ARG 79 -3.537 1.922 13.622 660 HE ARG 79 HE ARG 79 -3.989 2.584 11.068 661 HH11 ARG 79 HH11 ARG 79 -5.453 0.012 12.997 662 HH12 ARG 79 HH12 ARG 79 -6.945 0.045 12.102 663 HH21 ARG 79 HH21 ARG 79 -5.936 2.577 9.901 664 HH22 ARG 79 HH22 ARG 79 -7.216 1.483 10.355 665 H VAL 80 H VAL 80 -3.712 -1.056 8.995 666 HA VAL 80 HA VAL 80 -1.917 -1.485 6.700 667 HB VAL 80 HB VAL 80 -4.864 -2.208 6.981 668 HG11 VAL 80 HG11 VAL 80 -2.817 -3.033 4.884 669 HG12 VAL 80 HG12 VAL 80 -4.181 -1.937 4.638 670 HG13 VAL 80 HG13 VAL 80 -4.471 -3.633 5.003 671 HG21 VAL 80 HG21 VAL 80 -4.093 -4.518 7.371 672 HG22 VAL 80 HG22 VAL 80 -3.510 -3.428 8.627 673 HG23 VAL 80 HG23 VAL 80 -2.415 -3.970 7.352 674 H ILE 81 H ILE 81 -1.695 0.072 5.307 675 HA ILE 81 HA ILE 81 -3.760 2.150 4.916 676 HB ILE 81 HB ILE 81 -0.733 2.162 4.619 677 HG12 ILE 81 HG12 ILE 81 -0.919 4.307 5.911 678 HG13 ILE 81 HG13 ILE 81 -2.658 4.081 6.000 679 HG21 ILE 81 HG21 ILE 81 -2.591 4.184 3.329 680 HG22 ILE 81 HG22 ILE 81 -1.503 3.068 2.500 681 HG23 ILE 81 HG23 ILE 81 -0.844 4.366 3.490 682 HD11 ILE 81 HD11 ILE 81 -0.624 2.211 7.190 683 HD12 ILE 81 HD12 ILE 81 -2.377 2.146 7.392 684 HD13 ILE 81 HD13 ILE 81 -1.459 3.496 8.056 685 H VAL 82 H VAL 82 -4.939 1.838 3.113 686 HA VAL 82 HA VAL 82 -3.790 0.344 0.816 687 HB VAL 82 HB VAL 82 -6.707 0.959 1.542 688 HG11 VAL 82 HG11 VAL 82 -7.338 -0.553 -0.302 689 HG12 VAL 82 HG12 VAL 82 -5.641 -0.722 -0.755 690 HG13 VAL 82 HG13 VAL 82 -6.439 0.846 -0.894 691 HG21 VAL 82 HG21 VAL 82 -6.908 -1.458 2.032 692 HG22 VAL 82 HG22 VAL 82 -5.693 -0.700 3.060 693 HG23 VAL 82 HG23 VAL 82 -5.195 -1.684 1.681 694 H ILE 83 H ILE 83 -2.907 1.783 -0.664 695 HA ILE 83 HA ILE 83 -4.296 4.382 -1.134 696 HB ILE 83 HB ILE 83 -1.391 3.646 -1.771 697 HG12 ILE 83 HG12 ILE 83 -2.530 5.497 0.375 698 HG13 ILE 83 HG13 ILE 83 -1.837 3.909 0.662 699 HG21 ILE 83 HG21 ILE 83 -1.102 6.046 -2.358 700 HG22 ILE 83 HG22 ILE 83 -2.826 6.319 -2.111 701 HG23 ILE 83 HG23 ILE 83 -2.280 5.264 -3.414 702 HD11 ILE 83 HD11 ILE 83 -0.298 5.644 1.264 703 HD12 ILE 83 HD12 ILE 83 -0.370 6.325 -0.361 704 HD13 ILE 83 HD13 ILE 83 0.333 4.725 -0.103 705 H ILE 84 H ILE 84 -5.696 4.055 -2.748 706 HA ILE 84 HA ILE 84 -5.039 2.271 -4.988 707 HB ILE 84 HB ILE 84 -7.666 3.743 -4.465 708 HG12 ILE 84 HG12 ILE 84 -6.944 0.859 -3.741 709 HG13 ILE 84 HG13 ILE 84 -7.080 2.176 -2.583 710 HG21 ILE 84 HG21 ILE 84 -8.613 2.091 -6.049 711 HG22 ILE 84 HG22 ILE 84 -7.017 1.372 -6.269 712 HG23 ILE 84 HG23 ILE 84 -7.322 3.023 -6.812 713 HD11 ILE 84 HD11 ILE 84 -9.443 2.414 -3.161 714 HD12 ILE 84 HD12 ILE 84 -9.035 0.814 -2.544 715 HD13 ILE 84 HD13 ILE 84 -9.291 1.049 -4.273 716 H VAL 85 H VAL 85 -4.200 3.112 -6.785 717 HA VAL 85 HA VAL 85 -4.586 5.961 -7.471 718 HB VAL 85 HB VAL 85 -2.360 4.200 -8.600 719 HG11 VAL 85 HG11 VAL 85 -2.825 6.291 -9.775 720 HG12 VAL 85 HG12 VAL 85 -1.258 6.386 -8.976 721 HG13 VAL 85 HG13 VAL 85 -2.650 7.209 -8.275 722 HG21 VAL 85 HG21 VAL 85 -0.805 5.045 -6.868 723 HG22 VAL 85 HG22 VAL 85 -2.090 4.063 -6.163 724 HG23 VAL 85 HG23 VAL 85 -2.154 5.821 -6.031 725 H SER 86 H SER 86 -6.325 5.935 -8.865 726 HA SER 86 HA SER 86 -6.140 4.458 -11.375 727 HB2 SER 86 HB2 SER 86 -8.535 4.133 -9.497 728 HB3 SER 86 HB3 SER 86 -8.480 3.554 -11.162 729 HG SER 86 HG SER 86 -6.340 2.632 -9.878 730 H GLN 87 H GLN 87 -7.005 5.616 -13.040 731 HA GLN 87 HA GLN 87 -8.128 8.219 -12.731 732 HB2 GLN 87 HB2 GLN 87 -8.587 8.122 -15.156 733 HB3 GLN 87 HB3 GLN 87 -6.962 7.541 -14.817 734 HG2 GLN 87 HG2 GLN 87 -7.756 5.204 -15.063 735 HG3 GLN 87 HG3 GLN 87 -9.380 5.802 -15.397 736 HE21 GLN 87 HE21 GLN 87 -9.421 4.808 -17.434 737 HE22 GLN 87 HE22 GLN 87 -8.500 5.396 -18.771 738 H ASP 88 H ASP 88 -9.410 4.982 -12.965 739 HA ASP 88 HA ASP 88 -12.192 5.585 -13.130 740 HB2 ASP 88 HB2 ASP 88 -10.772 3.112 -12.038 741 HB3 ASP 88 HB3 ASP 88 -12.493 3.217 -12.382 742 H GLU 89 H GLU 89 -12.701 7.127 -11.591 743 HA GLU 89 HA GLU 89 -11.981 7.028 -8.846 744 HB2 GLU 89 HB2 GLU 89 -14.204 8.573 -10.224 745 HB3 GLU 89 HB3 GLU 89 -13.721 8.796 -8.544 746 HG2 GLU 89 HG2 GLU 89 -11.395 9.370 -9.390 747 HG3 GLU 89 HG3 GLU 89 -12.076 9.373 -11.018 748 H GLU 90 H GLU 90 -14.532 5.532 -10.642 749 HA GLU 90 HA GLU 90 -16.216 4.786 -8.472 750 HB2 GLU 90 HB2 GLU 90 -15.789 3.427 -11.170 751 HB3 GLU 90 HB3 GLU 90 -17.108 3.083 -10.052 752 HG2 GLU 90 HG2 GLU 90 -17.890 5.433 -10.282 753 HG3 GLU 90 HG3 GLU 90 -16.606 5.719 -11.455 754 H ALA 91 H ALA 91 -13.376 3.289 -10.002 755 HA ALA 91 HA ALA 91 -13.282 0.968 -8.329 756 HB1 ALA 91 HB1 ALA 91 -11.042 2.282 -9.912 757 HB2 ALA 91 HB2 ALA 91 -12.138 1.035 -10.509 758 HB3 ALA 91 HB3 ALA 91 -11.004 0.658 -9.212 759 H LEU 92 H LEU 92 -11.890 4.237 -8.115 760 HA LEU 92 HA LEU 92 -10.322 3.934 -5.791 761 HB2 LEU 92 HB2 LEU 92 -11.888 6.372 -6.743 762 HB3 LEU 92 HB3 LEU 92 -10.730 6.412 -5.428 763 HG LEU 92 HG LEU 92 -10.098 5.888 -8.360 764 HD11 LEU 92 HD11 LEU 92 -8.888 8.028 -8.266 765 HD12 LEU 92 HD12 LEU 92 -9.385 8.254 -6.585 766 HD13 LEU 92 HD13 LEU 92 -10.594 8.247 -7.871 767 HD21 LEU 92 HD21 LEU 92 -8.625 4.549 -6.955 768 HD22 LEU 92 HD22 LEU 92 -8.197 5.971 -5.998 769 HD23 LEU 92 HD23 LEU 92 -7.737 5.875 -7.700 770 H ARG 93 H ARG 93 -13.756 4.657 -6.246 771 HA ARG 93 HA ARG 93 -14.371 5.391 -3.570 772 HB2 ARG 93 HB2 ARG 93 -15.668 6.182 -5.532 773 HB3 ARG 93 HB3 ARG 93 -16.195 4.538 -5.867 774 HG2 ARG 93 HG2 ARG 93 -18.005 5.767 -4.820 775 HG3 ARG 93 HG3 ARG 93 -17.440 4.515 -3.712 776 HD2 ARG 93 HD2 ARG 93 -16.131 6.245 -2.479 777 HD3 ARG 93 HD3 ARG 93 -16.787 7.482 -3.561 778 HE ARG 93 HE ARG 93 -18.735 5.832 -2.157 779 HH11 ARG 93 HH11 ARG 93 -16.970 8.878 -2.123 780 HH12 ARG 93 HH12 ARG 93 -18.077 9.644 -1.027 781 HH21 ARG 93 HH21 ARG 93 -20.129 6.797 -0.691 782 HH22 ARG 93 HH22 ARG 93 -19.890 8.450 -0.205 783 H LYS 94 H LYS 94 -14.929 2.396 -5.452 784 HA LYS 94 HA LYS 94 -16.416 1.024 -3.470 785 HB2 LYS 94 HB2 LYS 94 -14.810 -0.071 -5.821 786 HB3 LYS 94 HB3 LYS 94 -15.884 -1.046 -4.818 787 HG2 LYS 94 HG2 LYS 94 -17.792 0.368 -5.476 788 HG3 LYS 94 HG3 LYS 94 -16.724 1.335 -6.496 789 HD2 LYS 94 HD2 LYS 94 -16.265 -0.653 -7.896 790 HD3 LYS 94 HD3 LYS 94 -17.322 -1.626 -6.865 791 HE2 LYS 94 HE2 LYS 94 -19.233 -0.165 -7.475 792 HE3 LYS 94 HE3 LYS 94 -18.171 0.768 -8.533 793 HZ1 LYS 94 HZ1 LYS 94 -17.811 -1.195 -9.870 794 HZ2 LYS 94 HZ2 LYS 94 -19.467 -0.875 -9.742 795 HZ3 LYS 94 HZ3 LYS 94 -18.778 -2.122 -8.834 796 H GLY 95 H GLY 95 -12.985 0.796 -4.424 797 HA2 GLY 95 HA2 GLY 95 -12.157 -1.009 -2.405 798 HA3 GLY 95 HA3 GLY 95 -11.123 0.073 -3.316 799 H TYR 96 H TYR 96 -12.564 2.493 -2.419 800 HA TYR 96 HA TYR 96 -11.012 3.140 -0.165 801 HB2 TYR 96 HB2 TYR 96 -11.827 4.878 -1.695 802 HB3 TYR 96 HB3 TYR 96 -13.491 4.545 -1.237 803 HD1 TYR 96 HD2 TYR 96 -10.236 5.417 0.495 804 HD2 TYR 96 HD1 TYR 96 -14.449 6.124 0.236 805 HE1 TYR 96 HE2 TYR 96 -10.060 7.134 2.231 806 HE2 TYR 96 HE1 TYR 96 -14.263 7.840 1.991 807 HH TYR 96 HH TYR 96 -11.233 9.046 3.073 808 H GLU 97 H GLU 97 -14.516 2.599 -0.437 809 HA GLU 97 HA GLU 97 -14.973 2.895 2.379 810 HB2 GLU 97 HB2 GLU 97 -16.868 1.811 0.259 811 HB3 GLU 97 HB3 GLU 97 -17.307 2.464 1.833 812 HG2 GLU 97 HG2 GLU 97 -16.608 4.696 1.174 813 HG3 GLU 97 HG3 GLU 97 -15.974 4.086 -0.356 814 H ASP 98 H ASP 98 -14.679 0.164 0.149 815 HA ASP 98 HA ASP 98 -15.658 -1.913 1.782 816 HB2 ASP 98 HB2 ASP 98 -15.291 -2.147 -0.664 817 HB3 ASP 98 HB3 ASP 98 -13.550 -2.049 -0.422 818 H LYS 99 H LYS 99 -12.343 -0.699 1.335 819 HA LYS 99 HA LYS 99 -11.215 -2.508 3.291 820 HB2 LYS 99 HB2 LYS 99 -10.071 -0.279 1.583 821 HB3 LYS 99 HB3 LYS 99 -9.127 -0.967 2.899 822 HG2 LYS 99 HG2 LYS 99 -8.505 -2.016 0.790 823 HG3 LYS 99 HG3 LYS 99 -9.269 -3.208 1.844 824 HD2 LYS 99 HD2 LYS 99 -11.403 -2.910 0.576 825 HD3 LYS 99 HD3 LYS 99 -10.587 -1.775 -0.499 826 HE2 LYS 99 HE2 LYS 99 -9.136 -3.519 -1.346 827 HE3 LYS 99 HE3 LYS 99 -9.725 -4.662 -0.133 828 HZ1 LYS 99 HZ1 LYS 99 -10.789 -5.094 -2.221 829 HZ2 LYS 99 HZ2 LYS 99 -11.287 -3.492 -2.369 830 HZ3 LYS 99 HZ3 LYS 99 -11.948 -4.468 -1.156 831 H LYS 100 H LYS 100 -12.370 0.827 3.271 832 HA LYS 100 HA LYS 100 -11.123 1.700 5.686 833 HB2 LYS 100 HB2 LYS 100 -11.944 3.217 3.905 834 HB3 LYS 100 HB3 LYS 100 -13.603 2.791 4.297 835 HG2 LYS 100 HG2 LYS 100 -13.381 3.861 6.490 836 HG3 LYS 100 HG3 LYS 100 -11.676 4.205 6.172 837 HD2 LYS 100 HD2 LYS 100 -12.294 5.672 4.291 838 HD3 LYS 100 HD3 LYS 100 -14.002 5.295 4.532 839 HE2 LYS 100 HE2 LYS 100 -12.221 6.718 6.534 840 HE3 LYS 100 HE3 LYS 100 -13.385 7.496 5.464 841 HZ1 LYS 100 HZ1 LYS 100 -14.273 7.171 7.684 842 HZ2 LYS 100 HZ2 LYS 100 -14.046 5.503 7.562 843 HZ3 LYS 100 HZ3 LYS 100 -15.154 6.280 6.551 844 H LYS 101 H LYS 101 -14.278 0.229 5.001 845 HA LYS 101 HA LYS 101 -15.348 0.436 7.651 846 HB2 LYS 101 HB2 LYS 101 -17.059 -1.171 6.914 847 HB3 LYS 101 HB3 LYS 101 -16.820 0.079 5.700 848 HG2 LYS 101 HG2 LYS 101 -15.524 -1.431 4.317 849 HG3 LYS 101 HG3 LYS 101 -15.578 -2.681 5.553 850 HD2 LYS 101 HD2 LYS 101 -18.036 -1.585 4.138 851 HD3 LYS 101 HD3 LYS 101 -17.162 -3.029 3.631 852 HE2 LYS 101 HE2 LYS 101 -17.616 -4.021 5.901 853 HE3 LYS 101 HE3 LYS 101 -18.629 -2.618 6.254 854 HZ1 LYS 101 HZ1 LYS 101 -19.933 -4.499 5.465 855 HZ2 LYS 101 HZ2 LYS 101 -19.052 -4.532 4.025 856 HZ3 LYS 101 HZ3 LYS 101 -20.034 -3.203 4.381 857 H LYS 102 H LYS 102 -13.106 -1.746 6.145 858 HA LYS 102 HA LYS 102 -13.232 -3.817 8.175 859 HB2 LYS 102 HB2 LYS 102 -11.238 -3.276 5.942 860 HB3 LYS 102 HB3 LYS 102 -11.190 -4.692 6.983 861 HG2 LYS 102 HG2 LYS 102 -13.317 -5.476 6.100 862 HG3 LYS 102 HG3 LYS 102 -13.494 -4.007 5.135 863 HD2 LYS 102 HD2 LYS 102 -11.547 -4.602 3.780 864 HD3 LYS 102 HD3 LYS 102 -11.213 -6.000 4.807 865 HE2 LYS 102 HE2 LYS 102 -12.291 -6.623 2.666 866 HE3 LYS 102 HE3 LYS 102 -13.265 -7.084 4.064 867 HZ1 LYS 102 HZ1 LYS 102 -14.665 -5.168 3.676 868 HZ2 LYS 102 HZ2 LYS 102 -14.588 -6.115 2.281 869 HZ3 LYS 102 HZ3 LYS 102 -13.704 -4.677 2.372 870 H GLY 103 H GLY 103 -11.849 -0.721 7.982 871 HA2 GLY 103 HA2 GLY 103 -10.927 0.376 9.860 872 HA3 GLY 103 HA3 GLY 103 -10.343 -1.162 10.473 873 H TYR 104 H TYR 104 -9.838 -0.163 7.135 874 HA TYR 104 HA TYR 104 -6.926 0.079 7.629 875 HB2 TYR 104 HB2 TYR 104 -8.342 -0.315 4.951 876 HB3 TYR 104 HB3 TYR 104 -6.612 -0.471 5.266 877 HD1 TYR 104 HD2 TYR 104 -6.798 -2.147 7.839 878 HD2 TYR 104 HD1 TYR 104 -8.812 -2.515 4.089 879 HE1 TYR 104 HE2 TYR 104 -7.143 -4.539 8.243 880 HE2 TYR 104 HE1 TYR 104 -9.154 -4.899 4.515 881 HH TYR 104 HH TYR 104 -8.647 -6.298 7.568 882 H ASP 105 H ASP 105 -5.870 2.006 7.133 883 HA ASP 105 HA ASP 105 -7.433 4.392 6.640 884 HB2 ASP 105 HB2 ASP 105 -4.386 4.150 6.558 885 HB3 ASP 105 HB3 ASP 105 -5.329 5.618 6.799 886 H VAL 106 H VAL 106 -8.300 4.495 4.567 887 HA VAL 106 HA VAL 106 -6.615 3.639 2.300 888 HB VAL 106 HB VAL 106 -9.614 4.196 2.163 889 HG11 VAL 106 HG11 VAL 106 -7.739 2.609 0.348 890 HG12 VAL 106 HG12 VAL 106 -8.450 4.183 -0.012 891 HG13 VAL 106 HG13 VAL 106 -9.483 2.763 0.124 892 HG21 VAL 106 HG21 VAL 106 -8.258 1.528 2.711 893 HG22 VAL 106 HG22 VAL 106 -9.979 1.763 2.391 894 HG23 VAL 106 HG23 VAL 106 -9.254 2.445 3.846 895 H TYR 107 H TYR 107 -6.129 4.974 0.656 896 HA TYR 107 HA TYR 107 -6.885 7.831 0.758 897 HB2 TYR 107 HB2 TYR 107 -4.131 6.649 0.117 898 HB3 TYR 107 HB3 TYR 107 -4.549 8.359 0.070 899 HD1 TYR 107 HD1 TYR 107 -4.860 9.632 2.201 900 HD2 TYR 107 HD2 TYR 107 -3.711 5.515 2.273 901 HE1 TYR 107 HE1 TYR 107 -4.198 9.849 4.560 902 HE2 TYR 107 HE2 TYR 107 -3.048 5.750 4.628 903 HH TYR 107 HH TYR 107 -3.841 8.482 6.522 904 H THR 108 H THR 108 -7.568 8.572 -1.210 905 HA THR 108 HA THR 108 -7.446 6.735 -3.529 906 HB THR 108 HB THR 108 -9.411 8.089 -4.395 907 HG1 THR 108 HG1 THR 108 -9.128 9.977 -3.137 908 HG21 THR 108 HG21 THR 108 -11.095 7.067 -2.912 909 HG22 THR 108 HG22 THR 108 -9.856 6.756 -1.694 910 HG23 THR 108 HG23 THR 108 -9.792 5.929 -3.252 911 H SER 109 H SER 109 -6.596 7.416 -5.407 912 HA SER 109 HA SER 109 -5.746 10.189 -5.821 913 HB2 SER 109 HB2 SER 109 -3.421 9.330 -6.464 914 HB3 SER 109 HB3 SER 109 -3.785 9.280 -4.747 915 HG SER 109 HG SER 109 -4.442 7.009 -5.216 916 H ARG 110 H ARG 110 -5.816 10.756 -7.963 917 HA ARG 110 HA ARG 110 -6.912 8.830 -9.839 918 HB2 ARG 110 HB2 ARG 110 -6.167 11.764 -10.212 919 HB3 ARG 110 HB3 ARG 110 -6.832 10.754 -11.488 920 HG2 ARG 110 HG2 ARG 110 -8.649 12.046 -10.656 921 HG3 ARG 110 HG3 ARG 110 -8.887 10.420 -10.023 922 HD2 ARG 110 HD2 ARG 110 -7.979 11.134 -7.839 923 HD3 ARG 110 HD3 ARG 110 -7.708 12.760 -8.479 924 HE ARG 110 HE ARG 110 -10.447 11.735 -8.585 925 HH11 ARG 110 HH11 ARG 110 -8.155 13.778 -6.878 926 HH12 ARG 110 HH12 ARG 110 -9.387 14.666 -6.043 927 HH21 ARG 110 HH21 ARG 110 -12.046 12.910 -7.484 928 HH22 ARG 110 HH22 ARG 110 -11.589 14.181 -6.386 929 H ASN 111 H ASN 111 -3.789 10.376 -9.140 930 HA ASN 111 HA ASN 111 -2.439 8.555 -10.989 931 HB2 ASN 111 HB2 ASN 111 -1.307 10.365 -12.301 932 HB3 ASN 111 HB3 ASN 111 -3.028 10.254 -12.603 933 HD21 ASN 111 HD21 ASN 111 -1.364 11.976 -9.921 934 HD22 ASN 111 HD22 ASN 111 -1.952 13.528 -10.360 935 H GLU 112 H GLU 112 0.033 9.648 -11.165 936 HA GLU 112 HA GLU 112 1.277 8.816 -8.849 937 HB2 GLU 112 HB2 GLU 112 2.450 8.941 -10.997 938 HB3 GLU 112 HB3 GLU 112 2.312 10.695 -11.009 939 HG2 GLU 112 HG2 GLU 112 3.692 10.530 -8.750 940 HG3 GLU 112 HG3 GLU 112 4.151 8.950 -9.377 941 H ASP 113 H ASP 113 0.485 12.173 -9.839 942 HA ASP 113 HA ASP 113 1.972 13.592 -7.965 943 HB2 ASP 113 HB2 ASP 113 -0.734 14.373 -9.142 944 HB3 ASP 113 HB3 ASP 113 0.381 15.482 -8.347 945 H GLU 114 H GLU 114 -1.419 12.493 -7.662 946 HA GLU 114 HA GLU 114 -1.830 13.504 -5.038 947 HB2 GLU 114 HB2 GLU 114 -3.282 11.331 -6.565 948 HB3 GLU 114 HB3 GLU 114 -3.802 11.924 -5.001 949 HG2 GLU 114 HG2 GLU 114 -5.144 13.134 -6.428 950 HG3 GLU 114 HG3 GLU 114 -3.815 14.253 -6.132 951 H ALA 115 H ALA 115 -1.048 10.296 -6.288 952 HA ALA 115 HA ALA 115 -1.097 8.848 -3.884 953 HB1 ALA 115 HB1 ALA 115 -1.196 7.805 -6.101 954 HB2 ALA 115 HB2 ALA 115 0.117 7.114 -5.145 955 HB3 ALA 115 HB3 ALA 115 0.471 8.284 -6.420 956 H LYS 116 H LYS 116 1.383 10.785 -5.365 957 HA LYS 116 HA LYS 116 3.703 9.854 -4.017 958 HB2 LYS 116 HB2 LYS 116 3.819 11.098 -6.104 959 HB3 LYS 116 HB3 LYS 116 3.005 12.487 -5.396 960 HG2 LYS 116 HG2 LYS 116 4.931 13.047 -4.074 961 HG3 LYS 116 HG3 LYS 116 5.739 11.534 -4.488 962 HD2 LYS 116 HD2 LYS 116 5.036 13.726 -6.481 963 HD3 LYS 116 HD3 LYS 116 6.628 13.495 -5.759 964 HE2 LYS 116 HE2 LYS 116 6.787 11.264 -6.808 965 HE3 LYS 116 HE3 LYS 116 5.185 11.481 -7.521 966 HZ1 LYS 116 HZ1 LYS 116 6.082 13.419 -8.724 967 HZ2 LYS 116 HZ2 LYS 116 6.856 11.975 -9.140 968 HZ3 LYS 116 HZ3 LYS 116 7.619 13.075 -8.109 969 H LYS 117 H LYS 117 1.297 12.335 -3.331 970 HA LYS 117 HA LYS 117 2.617 13.390 -0.988 971 HB2 LYS 117 HB2 LYS 117 -0.246 13.727 -1.994 972 HB3 LYS 117 HB3 LYS 117 0.488 14.660 -0.689 973 HG2 LYS 117 HG2 LYS 117 2.140 15.596 -2.249 974 HG3 LYS 117 HG3 LYS 117 1.471 14.638 -3.566 975 HD2 LYS 117 HD2 LYS 117 -0.024 16.809 -2.049 976 HD3 LYS 117 HD3 LYS 117 0.742 17.020 -3.623 977 HE2 LYS 117 HE2 LYS 117 -0.780 15.297 -4.570 978 HE3 LYS 117 HE3 LYS 117 -1.565 15.152 -2.995 979 HZ1 LYS 117 HZ1 LYS 117 -2.145 17.535 -3.165 980 HZ2 LYS 117 HZ2 LYS 117 -2.839 16.600 -4.390 981 HZ3 LYS 117 HZ3 LYS 117 -1.494 17.559 -4.728 982 H LYS 118 H LYS 118 -0.165 11.255 -1.599 983 HA LYS 118 HA LYS 118 -0.986 10.881 1.078 984 HB2 LYS 118 HB2 LYS 118 -1.437 9.080 -1.335 985 HB3 LYS 118 HB3 LYS 118 -2.346 9.007 0.164 986 HG2 LYS 118 HG2 LYS 118 -2.337 11.582 -1.405 987 HG3 LYS 118 HG3 LYS 118 -3.315 10.238 -1.973 988 HD2 LYS 118 HD2 LYS 118 -4.733 11.695 -0.674 989 HD3 LYS 118 HD3 LYS 118 -4.500 10.209 0.239 990 HE2 LYS 118 HE2 LYS 118 -4.411 12.123 1.744 991 HE3 LYS 118 HE3 LYS 118 -2.816 11.381 1.653 992 HZ1 LYS 118 HZ1 LYS 118 -2.162 13.118 0.093 993 HZ2 LYS 118 HZ2 LYS 118 -2.656 13.764 1.571 994 HZ3 LYS 118 HZ3 LYS 118 -3.685 13.836 0.227 995 H LEU 119 H LEU 119 1.399 9.236 -0.888 996 HA LEU 119 HA LEU 119 1.689 6.860 0.665 997 HB2 LEU 119 HB2 LEU 119 2.314 6.993 -1.721 998 HB3 LEU 119 HB3 LEU 119 3.577 8.153 -1.340 999 HG LEU 119 HG LEU 119 4.832 6.419 -0.105 1000 HD11 LEU 119 HD11 LEU 119 2.990 5.065 0.761 1001 HD12 LEU 119 HD12 LEU 119 4.119 4.055 -0.135 1002 HD13 LEU 119 HD13 LEU 119 2.583 4.521 -0.870 1003 HD21 LEU 119 HD21 LEU 119 5.440 4.990 -2.031 1004 HD22 LEU 119 HD22 LEU 119 5.292 6.684 -2.485 1005 HD23 LEU 119 HD23 LEU 119 4.004 5.547 -2.893 1006 H LYS 120 H LYS 120 3.600 9.861 0.387 1007 HA LYS 120 HA LYS 120 5.490 9.137 2.399 1008 HB2 LYS 120 HB2 LYS 120 4.844 11.817 1.124 1009 HB3 LYS 120 HB3 LYS 120 6.062 11.646 2.388 1010 HG2 LYS 120 HG2 LYS 120 7.147 9.858 0.874 1011 HG3 LYS 120 HG3 LYS 120 6.104 10.475 -0.406 1012 HD2 LYS 120 HD2 LYS 120 8.114 12.133 1.169 1013 HD3 LYS 120 HD3 LYS 120 8.392 11.476 -0.441 1014 HE2 LYS 120 HE2 LYS 120 6.220 13.475 0.261 1015 HE3 LYS 120 HE3 LYS 120 7.770 13.874 -0.478 1016 HZ1 LYS 120 HZ1 LYS 120 5.640 12.188 -1.656 1017 HZ2 LYS 120 HZ2 LYS 120 7.179 12.391 -2.318 1018 HZ3 LYS 120 HZ3 LYS 120 6.146 13.717 -2.173 1019 H GLU 121 H GLU 121 2.407 10.832 2.484 1020 HA GLU 121 HA GLU 121 2.473 11.767 5.158 1021 HB2 GLU 121 HB2 GLU 121 0.184 11.081 3.273 1022 HB3 GLU 121 HB3 GLU 121 -0.098 11.699 4.899 1023 HG2 GLU 121 HG2 GLU 121 1.068 13.768 4.385 1024 HG3 GLU 121 HG3 GLU 121 1.549 13.145 2.808 1025 H ALA 122 H ALA 122 1.432 8.694 3.755 1026 HA ALA 122 HA ALA 122 0.545 7.446 6.179 1027 HB1 ALA 122 HB1 ALA 122 0.585 5.379 4.833 1028 HB2 ALA 122 HB2 ALA 122 1.480 6.213 3.558 1029 HB3 ALA 122 HB3 ALA 122 -0.170 6.702 3.943 1030 H LEU 123 H LEU 123 3.685 7.704 4.552 1031 HA LEU 123 HA LEU 123 5.135 5.914 6.259 1032 HB2 LEU 123 HB2 LEU 123 6.086 8.226 4.518 1033 HB3 LEU 123 HB3 LEU 123 7.174 7.126 5.346 1034 HG LEU 123 HG LEU 123 5.190 6.242 3.206 1035 HD11 LEU 123 HD11 LEU 123 8.163 6.777 2.880 1036 HD12 LEU 123 HD12 LEU 123 6.853 7.752 2.213 1037 HD13 LEU 123 HD13 LEU 123 7.086 6.098 1.654 1038 HD21 LEU 123 HD21 LEU 123 6.508 4.163 3.143 1039 HD22 LEU 123 HD22 LEU 123 5.812 4.436 4.738 1040 HD23 LEU 123 HD23 LEU 123 7.525 4.757 4.459 1041 H GLU 124 H GLU 124 4.282 9.348 6.447 1042 HA GLU 124 HA GLU 124 6.160 10.117 8.468 1043 HB2 GLU 124 HB2 GLU 124 3.612 11.422 7.430 1044 HB3 GLU 124 HB3 GLU 124 4.576 12.148 8.713 1045 HG2 GLU 124 HG2 GLU 124 6.511 12.296 7.214 1046 HG3 GLU 124 HG3 GLU 124 5.587 11.519 5.930 1047 H LYS 125 H LYS 125 2.667 9.376 8.581 1048 HA LYS 125 HA LYS 125 2.418 9.860 11.380 1049 HB2 LYS 125 HB2 LYS 125 0.107 8.951 11.134 1050 HB3 LYS 125 HB3 LYS 125 0.501 10.196 9.969 1051 HG2 LYS 125 HG2 LYS 125 -0.748 8.657 8.746 1052 HG3 LYS 125 HG3 LYS 125 0.920 8.299 8.298 1053 HD2 LYS 125 HD2 LYS 125 0.944 6.354 9.767 1054 HD3 LYS 125 HD3 LYS 125 -0.659 6.753 10.392 1055 HE2 LYS 125 HE2 LYS 125 -0.078 6.077 7.495 1056 HE3 LYS 125 HE3 LYS 125 -0.631 4.917 8.696 1057 HZ1 LYS 125 HZ1 LYS 125 -2.445 5.760 7.350 1058 HZ2 LYS 125 HZ2 LYS 125 -2.122 7.340 7.847 1059 HZ3 LYS 125 HZ3 LYS 125 -2.649 6.193 8.972 1060 H SER 126 H SER 126 3.442 7.110 9.593 1061 HA SER 126 HA SER 126 2.980 5.142 11.652 1062 HB2 SER 126 HB2 SER 126 4.400 3.695 10.143 1063 HB3 SER 126 HB3 SER 126 3.005 4.415 9.346 1064 HG SER 126 HG SER 126 5.551 5.620 9.280 1065 H GLY 127 H GLY 127 5.521 7.375 10.831 1066 HA2 GLY 127 HA2 GLY 127 6.830 7.820 13.005 1067 HA3 GLY 127 HA3 GLY 127 7.394 6.168 12.776 1068 H SER 128 H SER 128 7.622 6.225 9.924 1069 HA SER 128 HA SER 128 10.280 7.130 9.681 1070 HB2 SER 128 HB2 SER 128 8.310 6.243 7.525 1071 HB3 SER 128 HB3 SER 128 10.047 6.445 7.271 1072 HG SER 128 HG SER 128 10.004 4.393 7.804 1073 H LEU 129 H LEU 129 10.604 9.300 9.873 1074 HA LEU 129 HA LEU 129 9.266 11.184 8.028 1075 HB2 LEU 129 HB2 LEU 129 11.143 11.677 10.382 1076 HB3 LEU 129 HB3 LEU 129 10.430 12.939 9.392 1077 HG LEU 129 HG LEU 129 8.884 11.015 11.179 1078 HD11 LEU 129 HD11 LEU 129 10.135 12.644 12.493 1079 HD12 LEU 129 HD12 LEU 129 8.409 12.980 12.578 1080 HD13 LEU 129 HD13 LEU 129 9.449 13.974 11.553 1081 HD21 LEU 129 HD21 LEU 129 7.564 11.621 9.209 1082 HD22 LEU 129 HD22 LEU 129 7.854 13.336 9.511 1083 HD23 LEU 129 HD23 LEU 129 6.904 12.383 10.652 1084 H GLU 130 H GLU 130 10.614 12.571 6.694 1085 HA GLU 130 HA GLU 130 12.813 11.345 5.417 1086 HB2 GLU 130 HB2 GLU 130 12.124 14.316 5.374 1087 HB3 GLU 130 HB3 GLU 130 13.088 13.436 4.184 1088 HG2 GLU 130 HG2 GLU 130 11.050 12.039 3.690 1089 HG3 GLU 130 HG3 GLU 130 10.139 13.109 4.749 1090 H HIS 131 H HIS 131 14.845 11.193 6.077 1091 HA HIS 131 HA HIS 131 15.681 11.841 8.667 1092 HB2 HIS 131 HB2 HIS 131 17.460 11.093 6.305 1093 HB3 HIS 131 HB3 HIS 131 17.853 10.888 8.014 1094 HD2 HIS 131 HD2 HIS 131 16.302 8.873 9.337 1095 HE1 HIS 131 HE1 HIS 131 15.100 7.084 5.712 1096 HE2 HIS 131 HE2 HIS 131 14.971 6.951 8.222 1097 H HIS 132 H HIS 132 15.936 13.670 5.768 1098 HA HIS 132 HA HIS 132 17.896 15.568 6.785 1099 HB2 HIS 132 HB2 HIS 132 17.599 14.767 4.315 1100 HB3 HIS 132 HB3 HIS 132 16.235 15.876 4.249 1101 HD2 HIS 132 HD2 HIS 132 19.506 16.980 6.082 1102 HE1 HIS 132 HE1 HIS 132 19.255 18.999 2.378 1103 HE2 HIS 132 HE2 HIS 132 20.587 18.732 4.515 1104 H HIS 133 H HIS 133 15.110 15.096 8.016 1105 HA HIS 133 HA HIS 133 13.532 16.212 9.179 1106 HB2 HIS 133 HB2 HIS 133 15.420 18.590 8.875 1107 HB3 HIS 133 HB3 HIS 133 14.092 18.488 10.025 1108 HD1 HIS 133 HD1 HIS 133 14.592 17.433 12.255 1109 HD2 HIS 133 HD2 HIS 133 17.614 16.780 9.474 1110 HE1 HIS 133 HE1 HIS 133 16.489 16.416 13.541 1111 HE2 HIS 133 HE2 HIS 133 18.211 15.845 11.807 1112 H HIS 134 H HIS 134 13.069 15.981 6.424 1113 HA HIS 134 HA HIS 134 11.721 16.607 4.746 1114 HB2 HIS 134 HB2 HIS 134 10.464 18.352 6.896 1115 HB3 HIS 134 HB3 HIS 134 9.795 18.217 5.273 1116 HD1 HIS 134 HD1 HIS 134 9.167 15.635 4.589 1117 HD2 HIS 134 HD2 HIS 134 9.456 16.505 8.637 1118 HE1 HIS 134 HE1 HIS 134 7.918 13.805 5.753 1119 HE2 HIS 134 HE2 HIS 134 7.847 14.533 8.154 1120 H HIS 135 H HIS 135 14.296 18.070 5.091 1121 HA HIS 135 HA HIS 135 13.816 20.629 3.765 1122 HB2 HIS 135 HB2 HIS 135 16.353 19.111 4.468 1123 HB3 HIS 135 HB3 HIS 135 16.402 20.551 3.461 1124 HD1 HIS 135 HD1 HIS 135 16.633 22.710 4.683 1125 HD2 HIS 135 HD2 HIS 135 15.246 19.674 7.156 1126 HE1 HIS 135 HE1 HIS 135 16.618 23.675 6.998 1127 HE2 HIS 135 HE2 HIS 135 15.882 21.795 8.489 1128 H HIS 136 H HIS 136 13.237 17.732 2.655 1129 HA HIS 136 HA HIS 136 14.520 17.234 0.248 1130 HB2 HIS 136 HB2 HIS 136 12.889 15.746 1.411 1131 HB3 HIS 136 HB3 HIS 136 11.576 16.830 0.988 1132 HD1 HIS 136 HD1 HIS 136 12.007 13.721 0.247 1133 HD2 HIS 136 HD2 HIS 136 12.319 16.973 -2.327 1134 HE1 HIS 136 HE1 HIS 136 11.524 12.820 -2.044 1135 HE2 HIS 136 HE2 HIS 136 11.542 14.832 -3.538 Start of MODEL 3 1 H1 MET 1 H1 MET 1 4.854 -1.115 17.392 2 H2 MET 1 H2 MET 1 4.921 -2.688 16.777 3 H3 MET 1 H3 MET 1 3.745 -1.613 16.216 4 HA MET 1 HA MET 1 5.408 -0.204 15.252 5 HB2 MET 1 HB2 MET 1 7.769 -0.869 15.194 6 HB3 MET 1 HB3 MET 1 7.231 -0.730 16.862 7 HG2 MET 1 HG2 MET 1 7.574 -3.318 15.332 8 HG3 MET 1 HG3 MET 1 8.687 -2.675 16.538 9 HE1 MET 1 HE1 MET 1 8.468 -5.194 17.607 10 HE2 MET 1 HE2 MET 1 7.194 -5.650 16.473 11 HE3 MET 1 HE3 MET 1 6.943 -5.848 18.207 12 H GLY 2 H GLY 2 6.087 -0.564 13.056 13 HA2 GLY 2 HA2 GLY 2 6.195 -1.829 11.055 14 HA3 GLY 2 HA3 GLY 2 5.325 -3.145 11.836 15 H VAL 3 H VAL 3 4.927 -1.106 9.424 16 HA VAL 3 HA VAL 3 1.992 -0.918 9.690 17 HB VAL 3 HB VAL 3 3.819 1.419 8.934 18 HG11 VAL 3 HG11 VAL 3 0.790 1.321 8.719 19 HG12 VAL 3 HG12 VAL 3 1.925 1.385 7.370 20 HG13 VAL 3 HG13 VAL 3 1.792 2.754 8.476 21 HG21 VAL 3 HG21 VAL 3 2.699 2.632 10.790 22 HG22 VAL 3 HG22 VAL 3 3.537 1.187 11.360 23 HG23 VAL 3 HG23 VAL 3 1.782 1.174 11.178 24 H VAL 4 H VAL 4 1.020 -1.560 7.793 25 HA VAL 4 HA VAL 4 2.782 -2.104 5.465 26 HB VAL 4 HB VAL 4 0.160 -3.489 6.180 27 HG11 VAL 4 HG11 VAL 4 0.687 -3.603 3.785 28 HG12 VAL 4 HG12 VAL 4 0.861 -5.193 4.531 29 HG13 VAL 4 HG13 VAL 4 2.296 -4.236 4.150 30 HG21 VAL 4 HG21 VAL 4 1.842 -3.952 7.920 31 HG22 VAL 4 HG22 VAL 4 2.991 -4.473 6.685 32 HG23 VAL 4 HG23 VAL 4 1.514 -5.399 6.961 33 H ILE 5 H ILE 5 2.502 -0.642 3.906 34 HA ILE 5 HA ILE 5 -0.105 0.621 3.396 35 HB ILE 5 HB ILE 5 2.617 1.400 2.232 36 HG12 ILE 5 HG12 ILE 5 2.270 3.499 3.781 37 HG13 ILE 5 HG13 ILE 5 1.168 2.474 4.686 38 HG21 ILE 5 HG21 ILE 5 0.755 2.058 0.788 39 HG22 ILE 5 HG22 ILE 5 1.462 3.489 1.539 40 HG23 ILE 5 HG23 ILE 5 -0.061 2.840 2.147 41 HD11 ILE 5 HD11 ILE 5 3.388 2.572 5.693 42 HD12 ILE 5 HD12 ILE 5 4.101 1.926 4.214 43 HD13 ILE 5 HD13 ILE 5 2.999 0.933 5.172 44 H LEU 6 H LEU 6 -1.275 -0.553 1.968 45 HA LEU 6 HA LEU 6 -0.027 -2.079 -0.224 46 HB2 LEU 6 HB2 LEU 6 -2.904 -2.033 0.730 47 HB3 LEU 6 HB3 LEU 6 -2.197 -3.197 -0.372 48 HG LEU 6 HG LEU 6 -1.337 -2.885 2.529 49 HD11 LEU 6 HD11 LEU 6 -3.654 -3.568 2.473 50 HD12 LEU 6 HD12 LEU 6 -2.626 -4.898 2.996 51 HD13 LEU 6 HD13 LEU 6 -3.276 -4.883 1.353 52 HD21 LEU 6 HD21 LEU 6 -0.290 -5.071 2.198 53 HD22 LEU 6 HD22 LEU 6 0.365 -3.868 1.095 54 HD23 LEU 6 HD23 LEU 6 -0.785 -5.069 0.502 55 H VAL 7 H VAL 7 0.276 -0.771 -1.984 56 HA VAL 7 HA VAL 7 -1.788 1.217 -2.677 57 HB VAL 7 HB VAL 7 1.019 0.987 -3.858 58 HG11 VAL 7 HG11 VAL 7 -0.546 2.202 -5.287 59 HG12 VAL 7 HG12 VAL 7 0.580 3.340 -4.555 60 HG13 VAL 7 HG13 VAL 7 -1.061 3.207 -3.931 61 HG21 VAL 7 HG21 VAL 7 1.209 1.416 -1.440 62 HG22 VAL 7 HG22 VAL 7 0.074 2.762 -1.567 63 HG23 VAL 7 HG23 VAL 7 1.651 2.862 -2.357 64 H LEU 8 H LEU 8 -3.307 0.425 -4.001 65 HA LEU 8 HA LEU 8 -2.786 -1.649 -5.995 66 HB2 LEU 8 HB2 LEU 8 -5.347 -0.167 -5.239 67 HB3 LEU 8 HB3 LEU 8 -5.257 -1.386 -6.499 68 HG LEU 8 HG LEU 8 -4.604 -3.075 -4.729 69 HD11 LEU 8 HD11 LEU 8 -5.331 -0.874 -2.786 70 HD12 LEU 8 HD12 LEU 8 -3.733 -1.589 -3.010 71 HD13 LEU 8 HD13 LEU 8 -5.051 -2.568 -2.372 72 HD21 LEU 8 HD21 LEU 8 -6.888 -2.939 -5.591 73 HD22 LEU 8 HD22 LEU 8 -7.293 -1.719 -4.381 74 HD23 LEU 8 HD23 LEU 8 -6.894 -3.363 -3.880 75 H THR 9 H THR 9 -1.778 -0.854 -7.798 76 HA THR 9 HA THR 9 -2.474 1.834 -8.804 77 HB THR 9 HB THR 9 -0.295 1.651 -10.059 78 HG1 THR 9 HG1 THR 9 0.145 -0.663 -8.436 79 HG21 THR 9 HG21 THR 9 -0.327 2.829 -7.891 80 HG22 THR 9 HG22 THR 9 1.204 1.985 -8.131 81 HG23 THR 9 HG23 THR 9 -0.018 1.306 -7.054 82 H GLY 10 H GLY 10 -3.397 2.038 -10.749 83 HA2 GLY 10 HA2 GLY 10 -4.088 -0.244 -12.400 84 HA3 GLY 10 HA3 GLY 10 -4.497 1.442 -12.684 85 H ASP 11 H ASP 11 -1.340 1.640 -12.116 86 HA ASP 11 HA ASP 11 -0.349 0.875 -14.769 87 HB2 ASP 11 HB2 ASP 11 -1.081 3.215 -15.025 88 HB3 ASP 11 HB3 ASP 11 -0.169 3.693 -13.598 89 H GLU 12 H GLU 12 1.683 0.170 -14.721 90 HA GLU 12 HA GLU 12 2.829 -0.599 -12.229 91 HB2 GLU 12 HB2 GLU 12 2.795 -2.034 -14.251 92 HB3 GLU 12 HB3 GLU 12 3.860 -0.903 -15.074 93 HG2 GLU 12 HG2 GLU 12 5.602 -1.385 -13.307 94 HG3 GLU 12 HG3 GLU 12 4.542 -2.646 -12.681 95 H ARG 13 H ARG 13 3.568 1.924 -14.608 96 HA ARG 13 HA ARG 13 6.233 2.476 -13.739 97 HB2 ARG 13 HB2 ARG 13 5.169 3.164 -15.981 98 HB3 ARG 13 HB3 ARG 13 4.382 4.466 -15.100 99 HG2 ARG 13 HG2 ARG 13 6.815 5.091 -14.333 100 HG3 ARG 13 HG3 ARG 13 7.315 4.068 -15.677 101 HD2 ARG 13 HD2 ARG 13 7.280 6.188 -16.656 102 HD3 ARG 13 HD3 ARG 13 5.687 5.567 -17.098 103 HE ARG 13 HE ARG 13 6.263 7.523 -14.947 104 HH11 ARG 13 HH11 ARG 13 3.921 6.118 -17.179 105 HH12 ARG 13 HH12 ARG 13 2.693 7.279 -16.795 106 HH21 ARG 13 HH21 ARG 13 4.669 9.036 -14.484 107 HH22 ARG 13 HH22 ARG 13 3.125 8.934 -15.266 108 H ILE 14 H ILE 14 3.021 3.718 -12.900 109 HA ILE 14 HA ILE 14 3.745 5.735 -11.075 110 HB ILE 14 HB ILE 14 1.270 3.935 -11.086 111 HG12 ILE 14 HG12 ILE 14 1.715 6.772 -12.129 112 HG13 ILE 14 HG13 ILE 14 1.465 5.333 -13.105 113 HG21 ILE 14 HG21 ILE 14 0.194 5.612 -9.599 114 HG22 ILE 14 HG22 ILE 14 1.728 6.468 -9.466 115 HG23 ILE 14 HG23 ILE 14 1.572 4.833 -8.820 116 HD11 ILE 14 HD11 ILE 14 -0.529 6.682 -13.058 117 HD12 ILE 14 HD12 ILE 14 -0.572 6.633 -11.297 118 HD13 ILE 14 HD13 ILE 14 -0.828 5.155 -12.229 119 H ALA 15 H ALA 15 3.173 2.230 -10.594 120 HA ALA 15 HA ALA 15 3.587 2.074 -7.828 121 HB1 ALA 15 HB1 ALA 15 2.624 0.243 -9.162 122 HB2 ALA 15 HB2 ALA 15 3.983 -0.328 -8.189 123 HB3 ALA 15 HB3 ALA 15 4.191 -0.043 -9.920 124 H GLU 16 H GLU 16 5.949 2.114 -10.487 125 HA GLU 16 HA GLU 16 8.267 1.583 -8.882 126 HB2 GLU 16 HB2 GLU 16 8.297 1.203 -11.329 127 HB3 GLU 16 HB3 GLU 16 8.071 2.928 -11.611 128 HG2 GLU 16 HG2 GLU 16 10.255 3.350 -10.429 129 HG3 GLU 16 HG3 GLU 16 10.490 1.608 -10.318 130 H GLU 17 H GLU 17 6.751 4.551 -10.151 131 HA GLU 17 HA GLU 17 8.570 6.461 -9.237 132 HB2 GLU 17 HB2 GLU 17 5.634 6.547 -9.939 133 HB3 GLU 17 HB3 GLU 17 6.365 7.968 -9.205 134 HG2 GLU 17 HG2 GLU 17 7.330 6.656 -11.761 135 HG3 GLU 17 HG3 GLU 17 6.280 8.073 -11.673 136 H LEU 18 H LEU 18 5.843 4.961 -7.625 137 HA LEU 18 HA LEU 18 5.832 6.559 -5.287 138 HB2 LEU 18 HB2 LEU 18 4.753 3.776 -5.869 139 HB3 LEU 18 HB3 LEU 18 4.420 4.656 -4.386 140 HG LEU 18 HG LEU 18 3.632 5.596 -7.168 141 HD11 LEU 18 HD11 LEU 18 2.360 3.630 -6.533 142 HD12 LEU 18 HD12 LEU 18 1.336 5.064 -6.539 143 HD13 LEU 18 HD13 LEU 18 1.901 4.390 -5.007 144 HD21 LEU 18 HD21 LEU 18 2.301 7.310 -6.018 145 HD22 LEU 18 HD22 LEU 18 4.017 7.482 -5.667 146 HD23 LEU 18 HD23 LEU 18 2.938 6.774 -4.461 147 H ARG 19 H ARG 19 7.349 3.447 -6.118 148 HA ARG 19 HA ARG 19 8.405 2.716 -3.636 149 HB2 ARG 19 HB2 ARG 19 8.378 1.181 -5.540 150 HB3 ARG 19 HB3 ARG 19 9.489 2.215 -6.436 151 HG2 ARG 19 HG2 ARG 19 11.251 1.755 -4.716 152 HG3 ARG 19 HG3 ARG 19 10.131 0.656 -3.907 153 HD2 ARG 19 HD2 ARG 19 11.203 0.360 -6.725 154 HD3 ARG 19 HD3 ARG 19 11.700 -0.586 -5.322 155 HE ARG 19 HE ARG 19 9.164 -0.781 -6.787 156 HH11 ARG 19 HH11 ARG 19 11.180 -1.958 -4.168 157 HH12 ARG 19 HH12 ARG 19 10.261 -3.411 -3.949 158 HH21 ARG 19 HH21 ARG 19 7.936 -2.664 -6.467 159 HH22 ARG 19 HH22 ARG 19 8.416 -3.811 -5.256 160 H LYS 20 H LYS 20 9.996 4.513 -6.283 161 HA LYS 20 HA LYS 20 12.459 4.878 -4.943 162 HB2 LYS 20 HB2 LYS 20 12.900 6.611 -6.783 163 HB3 LYS 20 HB3 LYS 20 12.546 4.967 -7.298 164 HG2 LYS 20 HG2 LYS 20 10.124 5.747 -7.615 165 HG3 LYS 20 HG3 LYS 20 10.741 7.391 -7.461 166 HD2 LYS 20 HD2 LYS 20 11.869 5.432 -9.496 167 HD3 LYS 20 HD3 LYS 20 10.445 6.415 -9.840 168 HE2 LYS 20 HE2 LYS 20 13.135 7.565 -9.030 169 HE3 LYS 20 HE3 LYS 20 12.589 7.382 -10.698 170 HZ1 LYS 20 HZ1 LYS 20 12.158 9.607 -9.928 171 HZ2 LYS 20 HZ2 LYS 20 11.269 9.038 -8.611 172 HZ3 LYS 20 HZ3 LYS 20 10.689 8.815 -10.185 173 H GLU 21 H GLU 21 9.520 6.842 -4.996 174 HA GLU 21 HA GLU 21 10.570 9.142 -3.699 175 HB2 GLU 21 HB2 GLU 21 7.773 8.000 -3.907 176 HB3 GLU 21 HB3 GLU 21 8.105 9.486 -3.018 177 HG2 GLU 21 HG2 GLU 21 8.736 9.029 -5.940 178 HG3 GLU 21 HG3 GLU 21 7.332 9.892 -5.318 179 H VAL 22 H VAL 22 9.172 6.132 -2.484 180 HA VAL 22 HA VAL 22 9.206 6.732 0.281 181 HB VAL 22 HB VAL 22 9.400 4.050 -1.173 182 HG11 VAL 22 HG11 VAL 22 8.895 4.551 1.778 183 HG12 VAL 22 HG12 VAL 22 10.312 3.764 1.075 184 HG13 VAL 22 HG13 VAL 22 8.728 2.993 0.966 185 HG21 VAL 22 HG21 VAL 22 7.299 5.259 -1.572 186 HG22 VAL 22 HG22 VAL 22 7.033 5.398 0.165 187 HG23 VAL 22 HG23 VAL 22 7.014 3.809 -0.608 188 H GLN 23 H GLN 23 11.601 5.320 -1.925 189 HA GLN 23 HA GLN 23 13.572 4.659 -0.002 190 HB2 GLN 23 HB2 GLN 23 13.948 5.247 -2.973 191 HB3 GLN 23 HB3 GLN 23 15.102 4.418 -1.935 192 HG2 GLN 23 HG2 GLN 23 12.367 3.418 -2.755 193 HG3 GLN 23 HG3 GLN 23 13.915 2.832 -3.343 194 HE21 GLN 23 HE21 GLN 23 15.196 2.778 -0.713 195 HE22 GLN 23 HE22 GLN 23 14.485 1.454 0.137 196 H LYS 24 H LYS 24 12.898 7.625 -1.828 197 HA LYS 24 HA LYS 24 15.291 9.031 -1.044 198 HB2 LYS 24 HB2 LYS 24 12.655 10.169 -2.073 199 HB3 LYS 24 HB3 LYS 24 14.155 11.070 -1.901 200 HG2 LYS 24 HG2 LYS 24 13.534 8.869 -3.861 201 HG3 LYS 24 HG3 LYS 24 13.873 10.561 -4.206 202 HD2 LYS 24 HD2 LYS 24 16.213 10.239 -3.454 203 HD3 LYS 24 HD3 LYS 24 15.865 8.540 -3.106 204 HE2 LYS 24 HE2 LYS 24 15.842 9.897 -5.822 205 HE3 LYS 24 HE3 LYS 24 16.956 8.652 -5.256 206 HZ1 LYS 24 HZ1 LYS 24 14.035 8.273 -5.672 207 HZ2 LYS 24 HZ2 LYS 24 15.129 7.084 -5.181 208 HZ3 LYS 24 HZ3 LYS 24 15.251 7.756 -6.723 209 H HIS 25 H HIS 25 12.005 8.749 0.196 210 HA HIS 25 HA HIS 25 12.186 10.855 2.142 211 HB2 HIS 25 HB2 HIS 25 10.035 9.952 1.093 212 HB3 HIS 25 HB3 HIS 25 10.214 8.516 2.091 213 HD2 HIS 25 HD2 HIS 25 9.914 9.039 4.941 214 HE1 HIS 25 HE1 HIS 25 7.824 12.648 4.233 215 HE2 HIS 25 HE2 HIS 25 8.197 10.742 5.854 216 H ASP 26 H ASP 26 12.813 7.400 2.098 217 HA ASP 26 HA ASP 26 14.238 7.393 4.589 218 HB2 ASP 26 HB2 ASP 26 11.848 7.303 5.375 219 HB3 ASP 26 HB3 ASP 26 11.607 5.846 4.425 220 HA PRO 27 HA PRO 27 15.874 4.301 1.723 221 HB2 PRO 27 HB2 PRO 27 18.380 4.140 2.670 222 HB3 PRO 27 HB3 PRO 27 17.769 5.673 2.009 223 HG2 PRO 27 HG2 PRO 27 18.091 4.864 4.879 224 HG3 PRO 27 HG3 PRO 27 18.444 6.423 4.103 225 HD2 PRO 27 HD2 PRO 27 16.079 5.818 5.505 226 HD3 PRO 27 HD3 PRO 27 16.282 7.166 4.360 227 H ASN 28 H ASN 28 14.827 3.540 4.767 228 HA ASN 28 HA ASN 28 15.942 0.782 4.761 229 HB2 ASN 28 HB2 ASN 28 15.147 2.507 7.149 230 HB3 ASN 28 HB3 ASN 28 15.611 0.810 7.259 231 HD21 ASN 28 HD21 ASN 28 16.870 3.117 8.510 232 HD22 ASN 28 HD22 ASN 28 18.506 3.127 7.961 233 H VAL 29 H VAL 29 13.192 2.347 3.953 234 HA VAL 29 HA VAL 29 11.207 0.675 5.220 235 HB VAL 29 HB VAL 29 10.938 2.331 2.664 236 HG11 VAL 29 HG11 VAL 29 9.153 0.650 2.815 237 HG12 VAL 29 HG12 VAL 29 8.488 2.258 3.107 238 HG13 VAL 29 HG13 VAL 29 8.775 1.163 4.461 239 HG21 VAL 29 HG21 VAL 29 11.567 3.753 4.549 240 HG22 VAL 29 HG22 VAL 29 10.252 3.087 5.518 241 HG23 VAL 29 HG23 VAL 29 9.890 4.054 4.086 242 H LYS 30 H LYS 30 10.246 -1.175 4.436 243 HA LYS 30 HA LYS 30 11.476 -2.680 2.294 244 HB2 LYS 30 HB2 LYS 30 9.129 -3.208 4.157 245 HB3 LYS 30 HB3 LYS 30 9.571 -4.334 2.879 246 HG2 LYS 30 HG2 LYS 30 11.354 -3.487 5.188 247 HG3 LYS 30 HG3 LYS 30 10.482 -5.018 5.062 248 HD2 LYS 30 HD2 LYS 30 12.645 -4.069 3.142 249 HD3 LYS 30 HD3 LYS 30 12.871 -5.244 4.426 250 HE2 LYS 30 HE2 LYS 30 11.316 -6.793 3.342 251 HE3 LYS 30 HE3 LYS 30 10.966 -5.594 2.095 252 HZ1 LYS 30 HZ1 LYS 30 13.197 -5.754 1.293 253 HZ2 LYS 30 HZ2 LYS 30 12.561 -7.318 1.402 254 HZ3 LYS 30 HZ3 LYS 30 13.649 -6.766 2.569 255 H THR 31 H THR 31 10.634 -3.046 0.278 256 HA THR 31 HA THR 31 7.975 -2.009 -0.474 257 HB THR 31 HB THR 31 9.039 -1.066 -2.646 258 HG1 THR 31 HG1 THR 31 11.394 -0.533 -1.262 259 HG21 THR 31 HG21 THR 31 9.548 1.143 -1.676 260 HG22 THR 31 HG22 THR 31 9.647 0.426 -0.066 261 HG23 THR 31 HG23 THR 31 8.106 0.448 -0.927 262 H VAL 32 H VAL 32 6.933 -3.463 -1.724 263 HA VAL 32 HA VAL 32 8.430 -5.689 -2.992 264 HB VAL 32 HB VAL 32 6.031 -6.011 -1.113 265 HG11 VAL 32 HG11 VAL 32 7.621 -8.159 -2.565 266 HG12 VAL 32 HG12 VAL 32 5.971 -7.664 -2.942 267 HG13 VAL 32 HG13 VAL 32 6.324 -8.444 -1.400 268 HG21 VAL 32 HG21 VAL 32 8.104 -5.536 0.127 269 HG22 VAL 32 HG22 VAL 32 8.918 -6.872 -0.694 270 HG23 VAL 32 HG23 VAL 32 7.571 -7.196 0.398 271 HA PRO 33 HA PRO 33 5.138 -4.777 -6.039 272 HB2 PRO 33 HB2 PRO 33 6.227 -5.988 -8.195 273 HB3 PRO 33 HB3 PRO 33 6.965 -4.531 -7.497 274 HG2 PRO 33 HG2 PRO 33 7.840 -7.377 -7.256 275 HG3 PRO 33 HG3 PRO 33 8.821 -5.901 -7.371 276 HD2 PRO 33 HD2 PRO 33 8.161 -7.276 -4.976 277 HD3 PRO 33 HD3 PRO 33 8.865 -5.649 -5.095 278 H THR 34 H THR 34 4.023 -6.224 -7.818 279 HA THR 34 HA THR 34 2.329 -8.024 -6.472 280 HB THR 34 HB THR 34 1.359 -8.448 -8.767 281 HG1 THR 34 HG1 THR 34 2.315 -7.243 -10.504 282 HG21 THR 34 HG21 THR 34 1.883 -5.528 -8.103 283 HG22 THR 34 HG22 THR 34 0.546 -6.512 -7.503 284 HG23 THR 34 HG23 THR 34 0.646 -6.120 -9.218 285 H LYS 35 H LYS 35 5.043 -8.586 -8.680 286 HA LYS 35 HA LYS 35 4.578 -11.395 -9.021 287 HB2 LYS 35 HB2 LYS 35 6.838 -11.383 -10.175 288 HB3 LYS 35 HB3 LYS 35 5.629 -10.307 -10.847 289 HG2 LYS 35 HG2 LYS 35 7.687 -9.129 -10.925 290 HG3 LYS 35 HG3 LYS 35 6.747 -8.396 -9.626 291 HD2 LYS 35 HD2 LYS 35 9.105 -8.624 -8.984 292 HD3 LYS 35 HD3 LYS 35 8.086 -9.628 -7.954 293 HE2 LYS 35 HE2 LYS 35 8.705 -11.590 -9.472 294 HE3 LYS 35 HE3 LYS 35 9.897 -10.524 -10.218 295 HZ1 LYS 35 HZ1 LYS 35 9.802 -11.396 -7.382 296 HZ2 LYS 35 HZ2 LYS 35 10.847 -10.207 -7.957 297 HZ3 LYS 35 HZ3 LYS 35 10.979 -11.787 -8.536 298 H ASP 36 H ASP 36 5.644 -9.807 -6.346 299 HA ASP 36 HA ASP 36 7.054 -12.205 -5.313 300 HB2 ASP 36 HB2 ASP 36 7.314 -9.261 -4.553 301 HB3 ASP 36 HB3 ASP 36 7.872 -10.549 -3.488 302 H LYS 37 H LYS 37 4.241 -12.055 -5.607 303 HA LYS 37 HA LYS 37 2.744 -11.255 -3.387 304 HB2 LYS 37 HB2 LYS 37 1.844 -12.077 -5.588 305 HB3 LYS 37 HB3 LYS 37 2.279 -13.715 -5.114 306 HG2 LYS 37 HG2 LYS 37 0.716 -13.218 -3.030 307 HG3 LYS 37 HG3 LYS 37 0.060 -11.956 -4.070 308 HD2 LYS 37 HD2 LYS 37 -0.005 -14.957 -4.464 309 HD3 LYS 37 HD3 LYS 37 -1.358 -13.836 -4.375 310 HE2 LYS 37 HE2 LYS 37 -1.278 -14.374 -6.651 311 HE3 LYS 37 HE3 LYS 37 -0.382 -12.856 -6.602 312 HZ1 LYS 37 HZ1 LYS 37 0.983 -15.487 -6.452 313 HZ2 LYS 37 HZ2 LYS 37 1.645 -13.982 -6.852 314 HZ3 LYS 37 HZ3 LYS 37 0.602 -14.759 -7.927 315 H GLU 38 H GLU 38 4.333 -14.344 -4.032 316 HA GLU 38 HA GLU 38 3.626 -15.699 -1.631 317 HB2 GLU 38 HB2 GLU 38 5.843 -16.184 -3.670 318 HB3 GLU 38 HB3 GLU 38 5.542 -17.259 -2.309 319 HG2 GLU 38 HG2 GLU 38 4.543 -18.183 -4.312 320 HG3 GLU 38 HG3 GLU 38 3.277 -17.723 -3.175 321 H LYS 39 H LYS 39 6.014 -13.350 -2.386 322 HA LYS 39 HA LYS 39 7.768 -13.981 -0.135 323 HB2 LYS 39 HB2 LYS 39 8.100 -12.716 -2.736 324 HB3 LYS 39 HB3 LYS 39 8.563 -11.540 -1.522 325 HG2 LYS 39 HG2 LYS 39 9.704 -14.335 -1.780 326 HG3 LYS 39 HG3 LYS 39 10.485 -12.846 -2.326 327 HD2 LYS 39 HD2 LYS 39 10.541 -12.023 0.004 328 HD3 LYS 39 HD3 LYS 39 9.743 -13.498 0.552 329 HE2 LYS 39 HE2 LYS 39 11.717 -14.799 -0.266 330 HE3 LYS 39 HE3 LYS 39 12.521 -13.270 -0.653 331 HZ1 LYS 39 HZ1 LYS 39 11.602 -14.169 2.020 332 HZ2 LYS 39 HZ2 LYS 39 12.240 -12.632 1.695 333 HZ3 LYS 39 HZ3 LYS 39 13.205 -14.009 1.497 334 H VAL 40 H VAL 40 5.075 -11.896 -0.790 335 HA VAL 40 HA VAL 40 5.701 -9.493 0.448 336 HB VAL 40 HB VAL 40 2.966 -10.855 0.287 337 HG11 VAL 40 HG11 VAL 40 2.889 -9.167 2.074 338 HG12 VAL 40 HG12 VAL 40 1.957 -8.615 0.684 339 HG13 VAL 40 HG13 VAL 40 3.563 -7.951 0.990 340 HG21 VAL 40 HG21 VAL 40 2.546 -9.332 -1.616 341 HG22 VAL 40 HG22 VAL 40 3.951 -10.354 -1.911 342 HG23 VAL 40 HG23 VAL 40 4.177 -8.670 -1.449 343 H LYS 41 H LYS 41 4.209 -12.372 1.954 344 HA LYS 41 HA LYS 41 3.590 -11.232 4.440 345 HB2 LYS 41 HB2 LYS 41 2.549 -13.289 3.545 346 HB3 LYS 41 HB3 LYS 41 4.078 -14.141 3.706 347 HG2 LYS 41 HG2 LYS 41 3.968 -13.838 6.168 348 HG3 LYS 41 HG3 LYS 41 2.404 -13.040 5.975 349 HD2 LYS 41 HD2 LYS 41 1.513 -15.148 4.926 350 HD3 LYS 41 HD3 LYS 41 3.062 -15.927 5.256 351 HE2 LYS 41 HE2 LYS 41 2.711 -15.618 7.668 352 HE3 LYS 41 HE3 LYS 41 1.185 -14.791 7.350 353 HZ1 LYS 41 HZ1 LYS 41 1.800 -17.626 6.704 354 HZ2 LYS 41 HZ2 LYS 41 0.349 -16.837 6.343 355 HZ3 LYS 41 HZ3 LYS 41 0.801 -17.076 7.953 356 H GLU 42 H GLU 42 6.500 -12.961 3.319 357 HA GLU 42 HA GLU 42 7.865 -13.142 5.802 358 HB2 GLU 42 HB2 GLU 42 9.073 -12.934 3.006 359 HB3 GLU 42 HB3 GLU 42 9.930 -13.455 4.457 360 HG2 GLU 42 HG2 GLU 42 8.285 -15.388 4.610 361 HG3 GLU 42 HG3 GLU 42 7.684 -14.893 3.026 362 H GLU 43 H GLU 43 7.671 -10.621 3.334 363 HA GLU 43 HA GLU 43 9.805 -9.027 4.451 364 HB2 GLU 43 HB2 GLU 43 7.783 -8.199 2.337 365 HB3 GLU 43 HB3 GLU 43 9.346 -7.459 2.659 366 HG2 GLU 43 HG2 GLU 43 8.769 -10.132 1.373 367 HG3 GLU 43 HG3 GLU 43 9.603 -8.753 0.676 368 H ILE 44 H ILE 44 6.299 -9.111 4.708 369 HA ILE 44 HA ILE 44 5.893 -6.692 6.156 370 HB ILE 44 HB ILE 44 4.307 -9.310 6.207 371 HG12 ILE 44 HG12 ILE 44 3.727 -6.669 4.793 372 HG13 ILE 44 HG13 ILE 44 4.274 -8.151 4.017 373 HG21 ILE 44 HG21 ILE 44 3.512 -6.640 7.431 374 HG22 ILE 44 HG22 ILE 44 3.892 -8.117 8.315 375 HG23 ILE 44 HG23 ILE 44 2.459 -8.049 7.291 376 HD11 ILE 44 HD11 ILE 44 1.929 -7.864 3.662 377 HD12 ILE 44 HD12 ILE 44 1.628 -7.717 5.392 378 HD13 ILE 44 HD13 ILE 44 2.183 -9.254 4.715 379 H GLU 45 H GLU 45 6.609 -10.036 7.072 380 HA GLU 45 HA GLU 45 6.598 -9.807 9.865 381 HB2 GLU 45 HB2 GLU 45 6.595 -11.956 8.598 382 HB3 GLU 45 HB3 GLU 45 8.259 -11.658 8.102 383 HG2 GLU 45 HG2 GLU 45 8.943 -11.722 10.509 384 HG3 GLU 45 HG3 GLU 45 7.281 -12.131 10.937 385 H LYS 46 H LYS 46 9.157 -9.263 7.461 386 HA LYS 46 HA LYS 46 11.303 -8.687 9.221 387 HB2 LYS 46 HB2 LYS 46 10.816 -7.786 6.352 388 HB3 LYS 46 HB3 LYS 46 12.324 -7.500 7.221 389 HG2 LYS 46 HG2 LYS 46 12.671 -9.921 7.443 390 HG3 LYS 46 HG3 LYS 46 11.151 -10.225 6.595 391 HD2 LYS 46 HD2 LYS 46 12.066 -9.070 4.584 392 HD3 LYS 46 HD3 LYS 46 13.600 -8.835 5.434 393 HE2 LYS 46 HE2 LYS 46 13.626 -10.784 3.874 394 HE3 LYS 46 HE3 LYS 46 13.950 -11.248 5.547 395 HZ1 LYS 46 HZ1 LYS 46 11.288 -11.446 4.236 396 HZ2 LYS 46 HZ2 LYS 46 11.702 -12.009 5.774 397 HZ3 LYS 46 HZ3 LYS 46 12.375 -12.725 4.400 398 H ALA 47 H ALA 47 9.019 -6.566 7.499 399 HA ALA 47 HA ALA 47 9.962 -4.081 8.356 400 HB1 ALA 47 HB1 ALA 47 7.106 -4.859 7.664 401 HB2 ALA 47 HB2 ALA 47 8.350 -4.366 6.514 402 HB3 ALA 47 HB3 ALA 47 7.756 -3.212 7.708 403 H ARG 48 H ARG 48 7.553 -6.235 9.794 404 HA ARG 48 HA ARG 48 6.658 -4.572 11.875 405 HB2 ARG 48 HB2 ARG 48 5.378 -6.538 11.152 406 HB3 ARG 48 HB3 ARG 48 6.683 -7.614 11.650 407 HG2 ARG 48 HG2 ARG 48 6.329 -6.912 14.009 408 HG3 ARG 48 HG3 ARG 48 4.999 -5.882 13.485 409 HD2 ARG 48 HD2 ARG 48 3.769 -7.876 12.699 410 HD3 ARG 48 HD3 ARG 48 5.112 -8.906 13.218 411 HE ARG 48 HE ARG 48 4.255 -7.317 15.384 412 HH11 ARG 48 HH11 ARG 48 3.165 -10.072 13.506 413 HH12 ARG 48 HH12 ARG 48 2.216 -10.720 14.804 414 HH21 ARG 48 HH21 ARG 48 2.976 -8.153 17.050 415 HH22 ARG 48 HH22 ARG 48 2.107 -9.634 16.813 416 H LYS 49 H LYS 49 9.126 -7.171 11.882 417 HA LYS 49 HA LYS 49 9.598 -7.053 14.699 418 HB2 LYS 49 HB2 LYS 49 11.441 -8.623 14.298 419 HB3 LYS 49 HB3 LYS 49 10.001 -9.111 13.413 420 HG2 LYS 49 HG2 LYS 49 10.937 -8.329 11.316 421 HG3 LYS 49 HG3 LYS 49 12.316 -7.608 12.147 422 HD2 LYS 49 HD2 LYS 49 12.964 -9.715 11.089 423 HD3 LYS 49 HD3 LYS 49 13.077 -9.843 12.844 424 HE2 LYS 49 HE2 LYS 49 10.738 -10.927 12.743 425 HE3 LYS 49 HE3 LYS 49 11.001 -11.059 11.002 426 HZ1 LYS 49 HZ1 LYS 49 12.965 -12.372 11.414 427 HZ2 LYS 49 HZ2 LYS 49 11.651 -13.065 12.209 428 HZ3 LYS 49 HZ3 LYS 49 12.792 -12.186 13.086 429 H GLN 50 H GLN 50 10.958 -5.337 11.998 430 HA GLN 50 HA GLN 50 13.307 -4.391 13.493 431 HB2 GLN 50 HB2 GLN 50 12.443 -3.925 10.602 432 HB3 GLN 50 HB3 GLN 50 13.956 -3.360 11.305 433 HG2 GLN 50 HG2 GLN 50 14.768 -5.618 11.577 434 HG3 GLN 50 HG3 GLN 50 13.193 -6.289 11.152 435 HE21 GLN 50 HE21 GLN 50 14.057 -7.521 9.457 436 HE22 GLN 50 HE22 GLN 50 14.600 -6.809 7.981 437 H GLY 51 H GLY 51 10.086 -3.416 13.083 438 HA2 GLY 51 HA2 GLY 51 8.968 -1.489 13.668 439 HA3 GLY 51 HA3 GLY 51 10.491 -0.808 14.235 440 H ARG 52 H ARG 52 9.061 -1.821 11.163 441 HA ARG 52 HA ARG 52 9.962 0.624 9.790 442 HB2 ARG 52 HB2 ARG 52 10.487 -2.249 8.858 443 HB3 ARG 52 HB3 ARG 52 10.770 -0.821 7.874 444 HG2 ARG 52 HG2 ARG 52 12.192 -1.274 10.507 445 HG3 ARG 52 HG3 ARG 52 12.806 -1.909 8.983 446 HD2 ARG 52 HD2 ARG 52 13.913 0.188 9.557 447 HD3 ARG 52 HD3 ARG 52 12.962 0.373 8.083 448 HE ARG 52 HE ARG 52 11.828 1.247 10.662 449 HH11 ARG 52 HH11 ARG 52 13.109 2.110 7.520 450 HH12 ARG 52 HH12 ARG 52 12.524 3.739 7.594 451 HH21 ARG 52 HH21 ARG 52 11.010 3.402 10.708 452 HH22 ARG 52 HH22 ARG 52 11.344 4.473 9.384 453 HA PRO 53 HA PRO 53 6.050 -0.262 7.613 454 HB2 PRO 53 HB2 PRO 53 6.246 1.588 5.574 455 HB3 PRO 53 HB3 PRO 53 5.758 1.996 7.228 456 HG2 PRO 53 HG2 PRO 53 8.328 2.516 5.862 457 HG3 PRO 53 HG3 PRO 53 7.556 3.403 7.189 458 HD2 PRO 53 HD2 PRO 53 9.691 1.541 7.425 459 HD3 PRO 53 HD3 PRO 53 8.745 2.236 8.755 460 H ILE 54 H ILE 54 5.346 -1.065 5.551 461 HA ILE 54 HA ILE 54 7.373 -1.719 3.535 462 HB ILE 54 HB ILE 54 7.212 -3.824 4.688 463 HG12 ILE 54 HG12 ILE 54 5.479 -3.906 2.176 464 HG13 ILE 54 HG13 ILE 54 7.234 -4.007 2.238 465 HG21 ILE 54 HG21 ILE 54 5.166 -3.443 5.977 466 HG22 ILE 54 HG22 ILE 54 5.122 -5.014 5.174 467 HG23 ILE 54 HG23 ILE 54 4.194 -3.663 4.521 468 HD11 ILE 54 HD11 ILE 54 6.234 -6.160 1.820 469 HD12 ILE 54 HD12 ILE 54 5.302 -6.055 3.312 470 HD13 ILE 54 HD13 ILE 54 7.064 -6.159 3.374 471 H VAL 55 H VAL 55 6.692 -0.901 1.659 472 HA VAL 55 HA VAL 55 3.840 -0.376 1.208 473 HB VAL 55 HB VAL 55 6.215 0.595 -0.450 474 HG11 VAL 55 HG11 VAL 55 4.603 2.240 -1.352 475 HG12 VAL 55 HG12 VAL 55 3.317 1.516 -0.383 476 HG13 VAL 55 HG13 VAL 55 4.082 0.583 -1.675 477 HG21 VAL 55 HG21 VAL 55 4.738 2.085 1.758 478 HG22 VAL 55 HG22 VAL 55 5.979 2.771 0.705 479 HG23 VAL 55 HG23 VAL 55 6.400 1.488 1.843 480 H VAL 56 H VAL 56 2.899 -2.147 0.403 481 HA VAL 56 HA VAL 56 4.233 -3.895 -1.533 482 HB VAL 56 HB VAL 56 1.497 -4.226 -0.200 483 HG11 VAL 56 HG11 VAL 56 1.691 -6.603 -0.901 484 HG12 VAL 56 HG12 VAL 56 3.204 -6.239 -1.735 485 HG13 VAL 56 HG13 VAL 56 1.694 -5.511 -2.291 486 HG21 VAL 56 HG21 VAL 56 2.589 -5.829 1.328 487 HG22 VAL 56 HG22 VAL 56 3.288 -4.219 1.498 488 HG23 VAL 56 HG23 VAL 56 4.162 -5.470 0.609 489 H PHE 57 H PHE 57 4.027 -3.275 -3.564 490 HA PHE 57 HA PHE 57 1.840 -1.706 -4.586 491 HB2 PHE 57 HB2 PHE 57 4.199 -2.987 -6.048 492 HB3 PHE 57 HB3 PHE 57 3.130 -1.734 -6.687 493 HD1 PHE 57 HD1 PHE 57 3.010 0.503 -5.395 494 HD2 PHE 57 HD2 PHE 57 6.155 -2.352 -4.839 495 HE1 PHE 57 HE1 PHE 57 4.405 2.229 -4.349 496 HE2 PHE 57 HE2 PHE 57 7.541 -0.612 -3.799 497 HZ PHE 57 HZ PHE 57 6.661 1.675 -3.549 498 H VAL 58 H VAL 58 0.030 -2.747 -4.745 499 HA VAL 58 HA VAL 58 -0.236 -5.413 -5.969 500 HB VAL 58 HB VAL 58 -2.207 -3.657 -4.401 501 HG11 VAL 58 HG11 VAL 58 -3.415 -5.023 -6.070 502 HG12 VAL 58 HG12 VAL 58 -3.767 -5.550 -4.424 503 HG13 VAL 58 HG13 VAL 58 -2.654 -6.484 -5.426 504 HG21 VAL 58 HG21 VAL 58 -0.809 -6.239 -3.597 505 HG22 VAL 58 HG22 VAL 58 -2.000 -5.371 -2.620 506 HG23 VAL 58 HG23 VAL 58 -0.441 -4.623 -2.980 507 H ARG 59 H ARG 59 -1.674 -5.603 -7.821 508 HA ARG 59 HA ARG 59 -1.682 -3.159 -9.475 509 HB2 ARG 59 HB2 ARG 59 -0.650 -5.468 -10.161 510 HB3 ARG 59 HB3 ARG 59 -2.310 -5.972 -10.452 511 HG2 ARG 59 HG2 ARG 59 -2.569 -4.225 -12.148 512 HG3 ARG 59 HG3 ARG 59 -0.951 -3.609 -11.794 513 HD2 ARG 59 HD2 ARG 59 -0.094 -5.956 -12.428 514 HD3 ARG 59 HD3 ARG 59 -1.708 -6.242 -13.086 515 HE ARG 59 HE ARG 59 -1.239 -4.177 -14.489 516 HH11 ARG 59 HH11 ARG 59 1.340 -6.347 -13.463 517 HH12 ARG 59 HH12 ARG 59 2.364 -5.971 -14.812 518 HH21 ARG 59 HH21 ARG 59 0.111 -3.699 -16.272 519 HH22 ARG 59 HH22 ARG 59 1.663 -4.467 -16.404 520 H GLY 60 H GLY 60 -3.578 -2.637 -10.756 521 HA2 GLY 60 HA2 GLY 60 -6.084 -2.749 -9.397 522 HA3 GLY 60 HA3 GLY 60 -5.794 -2.141 -11.023 523 H GLY 61 H GLY 61 -6.377 -5.036 -9.126 524 HA2 GLY 61 HA2 GLY 61 -8.082 -6.459 -10.691 525 HA3 GLY 61 HA3 GLY 61 -6.508 -6.858 -11.382 526 H ASP 62 H ASP 62 -5.192 -6.557 -8.706 527 HA ASP 62 HA ASP 62 -5.875 -9.190 -7.557 528 HB2 ASP 62 HB2 ASP 62 -3.537 -7.323 -6.930 529 HB3 ASP 62 HB3 ASP 62 -3.718 -8.974 -6.352 530 H ASP 63 H ASP 63 -7.825 -7.309 -7.135 531 HA ASP 63 HA ASP 63 -7.556 -5.650 -4.866 532 HB2 ASP 63 HB2 ASP 63 -9.247 -5.320 -6.637 533 HB3 ASP 63 HB3 ASP 63 -10.060 -6.806 -6.161 534 H GLU 64 H GLU 64 -8.492 -9.024 -5.224 535 HA GLU 64 HA GLU 64 -9.369 -9.488 -2.556 536 HB2 GLU 64 HB2 GLU 64 -8.232 -11.394 -4.633 537 HB3 GLU 64 HB3 GLU 64 -8.879 -11.915 -3.079 538 HG2 GLU 64 HG2 GLU 64 -11.089 -11.076 -3.664 539 HG3 GLU 64 HG3 GLU 64 -10.471 -10.428 -5.186 540 H ARG 65 H ARG 65 -6.182 -9.821 -4.169 541 HA ARG 65 HA ARG 65 -4.712 -10.742 -1.941 542 HB2 ARG 65 HB2 ARG 65 -3.929 -9.295 -4.479 543 HB3 ARG 65 HB3 ARG 65 -2.735 -9.445 -3.201 544 HG2 ARG 65 HG2 ARG 65 -2.446 -11.191 -4.877 545 HG3 ARG 65 HG3 ARG 65 -2.863 -11.883 -3.312 546 HD2 ARG 65 HD2 ARG 65 -4.926 -11.428 -5.484 547 HD3 ARG 65 HD3 ARG 65 -3.966 -12.898 -5.383 548 HE ARG 65 HE ARG 65 -5.301 -12.316 -2.909 549 HH11 ARG 65 HH11 ARG 65 -5.794 -13.836 -6.058 550 HH12 ARG 65 HH12 ARG 65 -7.102 -14.829 -5.493 551 HH21 ARG 65 HH21 ARG 65 -7.082 -13.539 -2.240 552 HH22 ARG 65 HH22 ARG 65 -7.830 -14.659 -3.338 553 H ALA 66 H ALA 66 -5.608 -7.492 -2.972 554 HA ALA 66 HA ALA 66 -4.146 -5.947 -1.171 555 HB1 ALA 66 HB1 ALA 66 -5.845 -4.210 -1.551 556 HB2 ALA 66 HB2 ALA 66 -6.921 -5.407 -2.276 557 HB3 ALA 66 HB3 ALA 66 -5.394 -5.001 -3.062 558 H LYS 67 H LYS 67 -7.451 -7.331 -0.788 559 HA LYS 67 HA LYS 67 -7.788 -6.276 1.867 560 HB2 LYS 67 HB2 LYS 67 -9.911 -7.445 1.937 561 HB3 LYS 67 HB3 LYS 67 -9.734 -6.695 0.356 562 HG2 LYS 67 HG2 LYS 67 -9.264 -8.805 -0.688 563 HG3 LYS 67 HG3 LYS 67 -9.111 -9.616 0.870 564 HD2 LYS 67 HD2 LYS 67 -11.517 -9.227 1.301 565 HD3 LYS 67 HD3 LYS 67 -11.671 -8.439 -0.270 566 HE2 LYS 67 HE2 LYS 67 -12.452 -10.770 -0.366 567 HE3 LYS 67 HE3 LYS 67 -11.040 -10.544 -1.396 568 HZ1 LYS 67 HZ1 LYS 67 -10.926 -12.596 -0.109 569 HZ2 LYS 67 HZ2 LYS 67 -11.005 -11.725 1.335 570 HZ3 LYS 67 HZ3 LYS 67 -9.668 -11.548 0.320 571 H ASP 68 H ASP 68 -6.584 -9.339 0.589 572 HA ASP 68 HA ASP 68 -6.878 -10.836 3.037 573 HB2 ASP 68 HB2 ASP 68 -5.255 -11.434 0.522 574 HB3 ASP 68 HB3 ASP 68 -5.389 -12.544 1.888 575 H ILE 69 H ILE 69 -4.192 -9.175 1.418 576 HA ILE 69 HA ILE 69 -2.220 -9.753 3.420 577 HB ILE 69 HB ILE 69 -2.264 -7.600 1.250 578 HG12 ILE 69 HG12 ILE 69 -0.807 -10.291 1.256 579 HG13 ILE 69 HG13 ILE 69 -2.331 -9.995 0.430 580 HG21 ILE 69 HG21 ILE 69 0.180 -7.423 1.574 581 HG22 ILE 69 HG22 ILE 69 0.082 -8.548 2.930 582 HG23 ILE 69 HG23 ILE 69 -0.700 -6.970 3.036 583 HD11 ILE 69 HD11 ILE 69 -0.501 -9.935 -1.133 584 HD12 ILE 69 HD12 ILE 69 0.311 -8.677 -0.201 585 HD13 ILE 69 HD13 ILE 69 -1.228 -8.335 -1.001 586 H ALA 70 H ALA 70 -4.567 -7.160 2.846 587 HA ALA 70 HA ALA 70 -3.835 -5.371 4.909 588 HB1 ALA 70 HB1 ALA 70 -6.591 -5.895 3.739 589 HB2 ALA 70 HB2 ALA 70 -5.397 -4.770 3.093 590 HB3 ALA 70 HB3 ALA 70 -6.115 -4.472 4.677 591 H GLU 71 H GLU 71 -5.935 -8.204 4.825 592 HA GLU 71 HA GLU 71 -7.005 -8.047 7.443 593 HB2 GLU 71 HB2 GLU 71 -7.954 -9.475 5.611 594 HB3 GLU 71 HB3 GLU 71 -6.528 -10.506 5.679 595 HG2 GLU 71 HG2 GLU 71 -7.148 -10.960 8.123 596 HG3 GLU 71 HG3 GLU 71 -8.689 -10.180 7.780 597 H TYR 72 H TYR 72 -4.177 -9.704 6.043 598 HA TYR 72 HA TYR 72 -3.236 -10.975 8.380 599 HB2 TYR 72 HB2 TYR 72 -2.400 -11.680 6.194 600 HB3 TYR 72 HB3 TYR 72 -1.735 -10.077 5.874 601 HD1 TYR 72 HD1 TYR 72 -1.466 -12.838 8.437 602 HD2 TYR 72 HD2 TYR 72 0.589 -9.765 6.286 603 HE1 TYR 72 HE1 TYR 72 0.644 -13.501 9.499 604 HE2 TYR 72 HE2 TYR 72 2.701 -10.439 7.348 605 HH TYR 72 HH TYR 72 3.351 -11.617 9.561 606 H ALA 73 H ALA 73 -2.508 -7.816 6.944 607 HA ALA 73 HA ALA 73 -0.430 -7.016 8.658 608 HB1 ALA 73 HB1 ALA 73 -2.433 -5.329 7.126 609 HB2 ALA 73 HB2 ALA 73 -0.898 -5.940 6.506 610 HB3 ALA 73 HB3 ALA 73 -0.907 -4.749 7.808 611 H GLN 74 H GLN 74 -3.939 -6.436 8.795 612 HA GLN 74 HA GLN 74 -3.974 -4.938 11.217 613 HB2 GLN 74 HB2 GLN 74 -5.790 -4.915 9.480 614 HB3 GLN 74 HB3 GLN 74 -6.222 -6.561 9.938 615 HG2 GLN 74 HG2 GLN 74 -6.805 -5.770 12.211 616 HG3 GLN 74 HG3 GLN 74 -6.366 -4.127 11.745 617 HE21 GLN 74 HE21 GLN 74 -7.693 -3.030 10.219 618 HE22 GLN 74 HE22 GLN 74 -9.320 -3.524 9.937 619 H LYS 75 H LYS 75 -4.108 -8.341 10.438 620 HA LYS 75 HA LYS 75 -4.961 -9.453 12.902 621 HB2 LYS 75 HB2 LYS 75 -4.814 -10.482 10.547 622 HB3 LYS 75 HB3 LYS 75 -3.117 -10.782 10.893 623 HG2 LYS 75 HG2 LYS 75 -3.832 -12.197 12.841 624 HG3 LYS 75 HG3 LYS 75 -5.515 -11.945 12.361 625 HD2 LYS 75 HD2 LYS 75 -3.331 -13.362 10.795 626 HD3 LYS 75 HD3 LYS 75 -4.808 -14.071 11.447 627 HE2 LYS 75 HE2 LYS 75 -4.736 -11.969 9.255 628 HE3 LYS 75 HE3 LYS 75 -4.870 -13.706 8.968 629 HZ1 LYS 75 HZ1 LYS 75 -6.830 -11.995 10.398 630 HZ2 LYS 75 HZ2 LYS 75 -6.948 -13.673 10.242 631 HZ3 LYS 75 HZ3 LYS 75 -7.013 -12.695 8.872 632 H GLU 76 H GLU 76 -1.807 -8.553 11.606 633 HA GLU 76 HA GLU 76 -0.175 -9.553 13.754 634 HB2 GLU 76 HB2 GLU 76 0.380 -7.435 11.625 635 HB3 GLU 76 HB3 GLU 76 1.601 -8.145 12.672 636 HG2 GLU 76 HG2 GLU 76 -0.049 -9.750 10.707 637 HG3 GLU 76 HG3 GLU 76 1.514 -9.039 10.317 638 H GLY 77 H GLY 77 -2.281 -6.901 13.506 639 HA2 GLY 77 HA2 GLY 77 -2.767 -5.203 14.992 640 HA3 GLY 77 HA3 GLY 77 -1.365 -5.647 15.956 641 H LEU 78 H LEU 78 -1.301 -4.974 12.502 642 HA LEU 78 HA LEU 78 0.435 -2.617 12.963 643 HB2 LEU 78 HB2 LEU 78 0.182 -4.220 10.381 644 HB3 LEU 78 HB3 LEU 78 1.396 -3.013 10.776 645 HG LEU 78 HG LEU 78 1.147 -5.812 11.914 646 HD11 LEU 78 HD11 LEU 78 3.350 -4.536 10.277 647 HD12 LEU 78 HD12 LEU 78 2.169 -5.720 9.711 648 HD13 LEU 78 HD13 LEU 78 3.355 -6.180 10.930 649 HD21 LEU 78 HD21 LEU 78 3.138 -5.359 13.278 650 HD22 LEU 78 HD22 LEU 78 1.775 -4.354 13.753 651 HD23 LEU 78 HD23 LEU 78 3.087 -3.662 12.797 652 H ARG 79 H ARG 79 0.103 -0.739 11.742 653 HA ARG 79 HA ARG 79 -2.604 -0.064 11.104 654 HB2 ARG 79 HB2 ARG 79 0.037 1.399 10.976 655 HB3 ARG 79 HB3 ARG 79 -1.363 2.103 10.184 656 HG2 ARG 79 HG2 ARG 79 -0.903 3.023 12.452 657 HG3 ARG 79 HG3 ARG 79 -2.521 2.359 12.271 658 HD2 ARG 79 HD2 ARG 79 -0.285 0.737 13.527 659 HD3 ARG 79 HD3 ARG 79 -1.240 1.878 14.474 660 HE ARG 79 HE ARG 79 -2.154 -0.656 13.318 661 HH11 ARG 79 HH11 ARG 79 -3.026 2.252 15.119 662 HH12 ARG 79 HH12 ARG 79 -4.527 1.590 15.682 663 HH21 ARG 79 HH21 ARG 79 -4.146 -1.476 14.026 664 HH22 ARG 79 HH22 ARG 79 -5.159 -0.521 15.058 665 H VAL 80 H VAL 80 -3.619 -0.237 9.187 666 HA VAL 80 HA VAL 80 -2.054 -1.092 6.818 667 HB VAL 80 HB VAL 80 -5.051 -1.483 7.235 668 HG11 VAL 80 HG11 VAL 80 -4.817 -3.168 5.452 669 HG12 VAL 80 HG12 VAL 80 -3.093 -2.818 5.329 670 HG13 VAL 80 HG13 VAL 80 -4.277 -1.581 4.901 671 HG21 VAL 80 HG21 VAL 80 -3.917 -2.673 9.051 672 HG22 VAL 80 HG22 VAL 80 -2.851 -3.470 7.895 673 HG23 VAL 80 HG23 VAL 80 -4.580 -3.824 7.885 674 H ILE 81 H ILE 81 -1.783 0.511 5.396 675 HA ILE 81 HA ILE 81 -3.965 2.469 4.948 676 HB ILE 81 HB ILE 81 -0.954 2.807 4.576 677 HG12 ILE 81 HG12 ILE 81 -1.406 4.951 5.945 678 HG13 ILE 81 HG13 ILE 81 -3.013 4.316 6.255 679 HG21 ILE 81 HG21 ILE 81 -3.153 4.611 3.512 680 HG22 ILE 81 HG22 ILE 81 -1.985 3.694 2.557 681 HG23 ILE 81 HG23 ILE 81 -1.442 5.034 3.562 682 HD11 ILE 81 HD11 ILE 81 -0.422 3.020 7.088 683 HD12 ILE 81 HD12 ILE 81 -2.045 2.436 7.460 684 HD13 ILE 81 HD13 ILE 81 -1.486 3.970 8.123 685 H VAL 82 H VAL 82 -5.093 1.960 3.176 686 HA VAL 82 HA VAL 82 -3.831 0.454 0.952 687 HB VAL 82 HB VAL 82 -6.788 0.879 1.631 688 HG11 VAL 82 HG11 VAL 82 -7.278 -0.815 -0.094 689 HG12 VAL 82 HG12 VAL 82 -5.566 -0.884 -0.516 690 HG13 VAL 82 HG13 VAL 82 -6.481 0.600 -0.789 691 HG21 VAL 82 HG21 VAL 82 -6.812 -1.501 2.294 692 HG22 VAL 82 HG22 VAL 82 -5.677 -0.578 3.280 693 HG23 VAL 82 HG23 VAL 82 -5.077 -1.614 1.983 694 H ILE 83 H ILE 83 -3.121 1.824 -0.678 695 HA ILE 83 HA ILE 83 -4.660 4.312 -1.236 696 HB ILE 83 HB ILE 83 -1.748 3.706 -1.944 697 HG12 ILE 83 HG12 ILE 83 -2.894 5.512 0.235 698 HG13 ILE 83 HG13 ILE 83 -2.086 3.973 0.501 699 HG21 ILE 83 HG21 ILE 83 -1.609 6.103 -2.569 700 HG22 ILE 83 HG22 ILE 83 -3.333 6.287 -2.249 701 HG23 ILE 83 HG23 ILE 83 -2.788 5.245 -3.565 702 HD11 ILE 83 HD11 ILE 83 -0.810 6.461 -0.626 703 HD12 ILE 83 HD12 ILE 83 -0.008 4.907 -0.362 704 HD13 ILE 83 HD13 ILE 83 -0.633 5.821 1.008 705 H ILE 84 H ILE 84 -6.042 3.919 -2.846 706 HA ILE 84 HA ILE 84 -5.407 2.070 -5.032 707 HB ILE 84 HB ILE 84 -7.960 3.692 -4.606 708 HG12 ILE 84 HG12 ILE 84 -7.484 0.811 -3.713 709 HG13 ILE 84 HG13 ILE 84 -7.388 2.194 -2.629 710 HG21 ILE 84 HG21 ILE 84 -7.453 1.177 -6.245 711 HG22 ILE 84 HG22 ILE 84 -7.689 2.802 -6.893 712 HG23 ILE 84 HG23 ILE 84 -9.012 1.987 -6.056 713 HD11 ILE 84 HD11 ILE 84 -9.831 1.292 -4.138 714 HD12 ILE 84 HD12 ILE 84 -9.729 2.707 -3.085 715 HD13 ILE 84 HD13 ILE 84 -9.501 1.092 -2.418 716 H VAL 85 H VAL 85 -4.121 3.014 -6.567 717 HA VAL 85 HA VAL 85 -4.693 5.697 -7.588 718 HB VAL 85 HB VAL 85 -2.567 3.795 -8.661 719 HG11 VAL 85 HG11 VAL 85 -1.457 5.882 -9.388 720 HG12 VAL 85 HG12 VAL 85 -2.781 6.828 -8.706 721 HG13 VAL 85 HG13 VAL 85 -3.083 5.745 -10.065 722 HG21 VAL 85 HG21 VAL 85 -2.172 3.963 -6.249 723 HG22 VAL 85 HG22 VAL 85 -2.229 5.725 -6.339 724 HG23 VAL 85 HG23 VAL 85 -0.923 4.844 -7.136 725 H SER 86 H SER 86 -6.537 5.580 -8.779 726 HA SER 86 HA SER 86 -6.466 4.138 -11.312 727 HB2 SER 86 HB2 SER 86 -8.817 3.907 -9.359 728 HB3 SER 86 HB3 SER 86 -8.834 3.335 -11.028 729 HG SER 86 HG SER 86 -6.704 2.300 -9.802 730 H GLN 87 H GLN 87 -7.113 5.518 -12.895 731 HA GLN 87 HA GLN 87 -8.013 8.174 -12.393 732 HB2 GLN 87 HB2 GLN 87 -8.256 8.361 -14.847 733 HB3 GLN 87 HB3 GLN 87 -6.716 7.635 -14.406 734 HG2 GLN 87 HG2 GLN 87 -7.584 5.408 -14.979 735 HG3 GLN 87 HG3 GLN 87 -9.154 6.105 -15.370 736 HE21 GLN 87 HE21 GLN 87 -9.096 5.354 -17.505 737 HE22 GLN 87 HE22 GLN 87 -8.031 6.011 -18.699 738 H ASP 88 H ASP 88 -9.638 5.156 -12.934 739 HA ASP 88 HA ASP 88 -12.295 6.215 -13.298 740 HB2 ASP 88 HB2 ASP 88 -11.354 3.422 -12.475 741 HB3 ASP 88 HB3 ASP 88 -13.017 3.846 -12.881 742 H GLU 89 H GLU 89 -13.002 7.475 -11.684 743 HA GLU 89 HA GLU 89 -12.371 7.219 -8.950 744 HB2 GLU 89 HB2 GLU 89 -14.675 8.693 -10.267 745 HB3 GLU 89 HB3 GLU 89 -14.228 8.844 -8.564 746 HG2 GLU 89 HG2 GLU 89 -11.937 9.632 -9.332 747 HG3 GLU 89 HG3 GLU 89 -12.584 9.677 -10.974 748 H GLU 90 H GLU 90 -14.793 5.676 -10.906 749 HA GLU 90 HA GLU 90 -16.614 4.779 -8.967 750 HB2 GLU 90 HB2 GLU 90 -15.671 3.509 -11.577 751 HB3 GLU 90 HB3 GLU 90 -16.944 2.797 -10.592 752 HG2 GLU 90 HG2 GLU 90 -17.886 4.073 -12.456 753 HG3 GLU 90 HG3 GLU 90 -18.343 4.779 -10.907 754 H ALA 91 H ALA 91 -13.540 3.387 -10.101 755 HA ALA 91 HA ALA 91 -13.493 1.110 -8.395 756 HB1 ALA 91 HB1 ALA 91 -12.153 1.224 -10.453 757 HB2 ALA 91 HB2 ALA 91 -11.119 0.922 -9.056 758 HB3 ALA 91 HB3 ALA 91 -11.187 2.535 -9.774 759 H LEU 92 H LEU 92 -12.386 4.443 -8.052 760 HA LEU 92 HA LEU 92 -10.757 4.151 -5.753 761 HB2 LEU 92 HB2 LEU 92 -12.276 6.580 -6.789 762 HB3 LEU 92 HB3 LEU 92 -11.106 6.641 -5.482 763 HG LEU 92 HG LEU 92 -10.531 5.968 -8.391 764 HD11 LEU 92 HD11 LEU 92 -9.215 8.037 -8.373 765 HD12 LEU 92 HD12 LEU 92 -9.692 8.348 -6.701 766 HD13 LEU 92 HD13 LEU 92 -10.906 8.352 -7.987 767 HD21 LEU 92 HD21 LEU 92 -9.108 4.598 -6.960 768 HD22 LEU 92 HD22 LEU 92 -8.604 6.024 -6.047 769 HD23 LEU 92 HD23 LEU 92 -8.161 5.857 -7.749 770 H ARG 93 H ARG 93 -14.171 5.214 -6.092 771 HA ARG 93 HA ARG 93 -14.532 5.736 -3.299 772 HB2 ARG 93 HB2 ARG 93 -16.743 5.370 -5.374 773 HB3 ARG 93 HB3 ARG 93 -16.855 6.236 -3.846 774 HG2 ARG 93 HG2 ARG 93 -15.271 7.061 -6.290 775 HG3 ARG 93 HG3 ARG 93 -16.742 7.816 -5.689 776 HD2 ARG 93 HD2 ARG 93 -15.621 8.820 -3.877 777 HD3 ARG 93 HD3 ARG 93 -14.257 7.700 -3.972 778 HE ARG 93 HE ARG 93 -14.628 9.450 -6.267 779 HH11 ARG 93 HH11 ARG 93 -12.971 8.988 -3.195 780 HH12 ARG 93 HH12 ARG 93 -11.683 10.086 -3.578 781 HH21 ARG 93 HH21 ARG 93 -12.915 10.862 -6.779 782 HH22 ARG 93 HH22 ARG 93 -11.658 11.150 -5.622 783 H LYS 94 H LYS 94 -15.231 3.027 -5.442 784 HA LYS 94 HA LYS 94 -16.847 1.499 -3.691 785 HB2 LYS 94 HB2 LYS 94 -15.810 1.237 -6.367 786 HB3 LYS 94 HB3 LYS 94 -15.359 -0.225 -5.519 787 HG2 LYS 94 HG2 LYS 94 -18.184 0.855 -5.732 788 HG3 LYS 94 HG3 LYS 94 -17.506 -0.410 -6.756 789 HD2 LYS 94 HD2 LYS 94 -17.900 -0.576 -3.736 790 HD3 LYS 94 HD3 LYS 94 -18.896 -1.369 -4.959 791 HE2 LYS 94 HE2 LYS 94 -16.918 -2.685 -5.689 792 HE3 LYS 94 HE3 LYS 94 -15.955 -1.909 -4.429 793 HZ1 LYS 94 HZ1 LYS 94 -18.325 -3.642 -4.001 794 HZ2 LYS 94 HZ2 LYS 94 -17.464 -2.850 -2.779 795 HZ3 LYS 94 HZ3 LYS 94 -16.712 -4.050 -3.698 796 H GLY 95 H GLY 95 -13.367 1.297 -4.497 797 HA2 GLY 95 HA2 GLY 95 -12.728 -0.781 -2.666 798 HA3 GLY 95 HA3 GLY 95 -11.595 0.301 -3.454 799 H TYR 96 H TYR 96 -12.837 2.722 -2.387 800 HA TYR 96 HA TYR 96 -11.296 3.087 -0.077 801 HB2 TYR 96 HB2 TYR 96 -11.961 4.958 -1.530 802 HB3 TYR 96 HB3 TYR 96 -13.646 4.729 -1.096 803 HD1 TYR 96 HD2 TYR 96 -10.310 5.684 0.335 804 HD2 TYR 96 HD1 TYR 96 -14.550 5.876 0.807 805 HE1 TYR 96 HE2 TYR 96 -10.038 7.308 2.153 806 HE2 TYR 96 HE1 TYR 96 -14.272 7.500 2.626 807 HH TYR 96 HH TYR 96 -11.320 9.068 3.277 808 H GLU 97 H GLU 97 -14.835 2.890 -0.420 809 HA GLU 97 HA GLU 97 -15.382 2.989 2.351 810 HB2 GLU 97 HB2 GLU 97 -17.053 2.068 -0.016 811 HB3 GLU 97 HB3 GLU 97 -17.684 2.194 1.623 812 HG2 GLU 97 HG2 GLU 97 -16.521 4.500 0.048 813 HG3 GLU 97 HG3 GLU 97 -18.245 4.149 0.196 814 H ASP 98 H ASP 98 -15.031 0.289 0.082 815 HA ASP 98 HA ASP 98 -16.020 -1.754 1.749 816 HB2 ASP 98 HB2 ASP 98 -14.371 -1.697 -0.770 817 HB3 ASP 98 HB3 ASP 98 -14.454 -3.217 0.116 818 H LYS 99 H LYS 99 -12.658 -0.632 1.258 819 HA LYS 99 HA LYS 99 -11.589 -2.539 3.168 820 HB2 LYS 99 HB2 LYS 99 -10.347 -0.268 1.582 821 HB3 LYS 99 HB3 LYS 99 -9.449 -1.048 2.878 822 HG2 LYS 99 HG2 LYS 99 -8.817 -2.013 0.734 823 HG3 LYS 99 HG3 LYS 99 -9.641 -3.223 1.724 824 HD2 LYS 99 HD2 LYS 99 -11.711 -2.896 0.430 825 HD3 LYS 99 HD3 LYS 99 -10.934 -1.634 -0.529 826 HE2 LYS 99 HE2 LYS 99 -9.369 -3.281 -1.450 827 HE3 LYS 99 HE3 LYS 99 -10.098 -4.549 -0.454 828 HZ1 LYS 99 HZ1 LYS 99 -11.436 -3.010 -2.605 829 HZ2 LYS 99 HZ2 LYS 99 -12.203 -4.129 -1.603 830 HZ3 LYS 99 HZ3 LYS 99 -10.984 -4.631 -2.651 831 H LYS 100 H LYS 100 -12.659 0.806 3.239 832 HA LYS 100 HA LYS 100 -11.463 1.579 5.709 833 HB2 LYS 100 HB2 LYS 100 -12.139 3.230 4.064 834 HB3 LYS 100 HB3 LYS 100 -13.815 2.705 4.152 835 HG2 LYS 100 HG2 LYS 100 -13.986 3.574 6.446 836 HG3 LYS 100 HG3 LYS 100 -12.285 4.062 6.397 837 HD2 LYS 100 HD2 LYS 100 -12.734 5.673 4.629 838 HD3 LYS 100 HD3 LYS 100 -14.396 5.094 4.458 839 HE2 LYS 100 HE2 LYS 100 -13.288 6.419 6.959 840 HE3 LYS 100 HE3 LYS 100 -14.208 7.252 5.704 841 HZ1 LYS 100 HZ1 LYS 100 -16.079 5.784 6.146 842 HZ2 LYS 100 HZ2 LYS 100 -15.619 6.609 7.549 843 HZ3 LYS 100 HZ3 LYS 100 -15.203 4.984 7.353 844 H LYS 101 H LYS 101 -14.577 0.098 4.906 845 HA LYS 101 HA LYS 101 -15.702 0.322 7.547 846 HB2 LYS 101 HB2 LYS 101 -17.514 -1.090 6.722 847 HB3 LYS 101 HB3 LYS 101 -17.124 0.140 5.525 848 HG2 LYS 101 HG2 LYS 101 -15.745 -1.624 4.321 849 HG3 LYS 101 HG3 LYS 101 -16.438 -2.813 5.427 850 HD2 LYS 101 HD2 LYS 101 -18.014 -1.034 3.519 851 HD3 LYS 101 HD3 LYS 101 -17.639 -2.735 3.255 852 HE2 LYS 101 HE2 LYS 101 -18.983 -3.340 5.235 853 HE3 LYS 101 HE3 LYS 101 -19.347 -1.636 5.514 854 HZ1 LYS 101 HZ1 LYS 101 -20.107 -3.160 3.076 855 HZ2 LYS 101 HZ2 LYS 101 -20.508 -1.553 3.416 856 HZ3 LYS 101 HZ3 LYS 101 -21.145 -2.801 4.361 857 H LYS 102 H LYS 102 -13.423 -1.783 6.112 858 HA LYS 102 HA LYS 102 -13.639 -3.912 8.098 859 HB2 LYS 102 HB2 LYS 102 -11.514 -3.395 5.981 860 HB3 LYS 102 HB3 LYS 102 -11.679 -4.870 6.932 861 HG2 LYS 102 HG2 LYS 102 -13.791 -5.389 5.833 862 HG3 LYS 102 HG3 LYS 102 -13.752 -3.850 4.964 863 HD2 LYS 102 HD2 LYS 102 -11.631 -4.600 3.834 864 HD3 LYS 102 HD3 LYS 102 -11.801 -6.165 4.636 865 HE2 LYS 102 HE2 LYS 102 -13.766 -4.953 2.665 866 HE3 LYS 102 HE3 LYS 102 -12.628 -6.258 2.325 867 HZ1 LYS 102 HZ1 LYS 102 -13.776 -7.614 3.977 868 HZ2 LYS 102 HZ2 LYS 102 -14.822 -7.124 2.745 869 HZ3 LYS 102 HZ3 LYS 102 -14.881 -6.369 4.253 870 H GLY 103 H GLY 103 -12.347 -0.804 8.003 871 HA2 GLY 103 HA2 GLY 103 -11.314 0.299 9.771 872 HA3 GLY 103 HA3 GLY 103 -10.807 -1.235 10.454 873 H TYR 104 H TYR 104 -10.271 -0.136 7.129 874 HA TYR 104 HA TYR 104 -7.353 0.085 7.641 875 HB2 TYR 104 HB2 TYR 104 -8.689 -0.401 4.938 876 HB3 TYR 104 HB3 TYR 104 -6.970 -0.498 5.302 877 HD1 TYR 104 HD2 TYR 104 -7.014 -2.177 7.796 878 HD2 TYR 104 HD1 TYR 104 -9.219 -2.594 4.168 879 HE1 TYR 104 HE2 TYR 104 -7.281 -4.573 8.221 880 HE2 TYR 104 HE1 TYR 104 -9.481 -4.994 4.599 881 HH TYR 104 HH TYR 104 -8.439 -6.767 5.883 882 H ASP 105 H ASP 105 -6.325 1.989 7.067 883 HA ASP 105 HA ASP 105 -7.958 4.329 6.513 884 HB2 ASP 105 HB2 ASP 105 -4.934 4.073 6.865 885 HB3 ASP 105 HB3 ASP 105 -5.836 5.590 6.789 886 H VAL 106 H VAL 106 -8.626 4.519 4.431 887 HA VAL 106 HA VAL 106 -6.849 3.588 2.272 888 HB VAL 106 HB VAL 106 -9.834 4.174 2.030 889 HG11 VAL 106 HG11 VAL 106 -9.694 2.701 0.028 890 HG12 VAL 106 HG12 VAL 106 -7.955 2.537 0.277 891 HG13 VAL 106 HG13 VAL 106 -8.643 4.112 -0.122 892 HG21 VAL 106 HG21 VAL 106 -8.526 1.500 2.633 893 HG22 VAL 106 HG22 VAL 106 -10.239 1.757 2.290 894 HG23 VAL 106 HG23 VAL 106 -9.518 2.442 3.748 895 H TYR 107 H TYR 107 -6.323 4.890 0.565 896 HA TYR 107 HA TYR 107 -7.255 7.684 0.470 897 HB2 TYR 107 HB2 TYR 107 -4.520 6.521 -0.240 898 HB3 TYR 107 HB3 TYR 107 -5.021 8.155 -0.666 899 HD1 TYR 107 HD1 TYR 107 -5.351 9.872 1.100 900 HD2 TYR 107 HD2 TYR 107 -3.898 5.973 2.061 901 HE1 TYR 107 HE1 TYR 107 -4.605 10.686 3.289 902 HE2 TYR 107 HE2 TYR 107 -3.153 6.788 4.250 903 HH TYR 107 HH TYR 107 -2.499 8.984 5.260 904 H THR 108 H THR 108 -7.811 8.458 -1.519 905 HA THR 108 HA THR 108 -7.949 6.561 -3.791 906 HB THR 108 HB THR 108 -9.918 7.960 -4.535 907 HG1 THR 108 HG1 THR 108 -9.808 9.072 -1.906 908 HG21 THR 108 HG21 THR 108 -10.223 6.735 -1.769 909 HG22 THR 108 HG22 THR 108 -10.331 5.863 -3.301 910 HG23 THR 108 HG23 THR 108 -11.538 7.083 -2.895 911 H SER 109 H SER 109 -6.823 7.146 -5.547 912 HA SER 109 HA SER 109 -6.072 9.958 -6.018 913 HB2 SER 109 HB2 SER 109 -3.729 9.124 -6.609 914 HB3 SER 109 HB3 SER 109 -4.131 9.078 -4.896 915 HG SER 109 HG SER 109 -4.805 6.757 -6.092 916 H ARG 110 H ARG 110 -6.258 10.538 -8.085 917 HA ARG 110 HA ARG 110 -7.323 8.709 -10.051 918 HB2 ARG 110 HB2 ARG 110 -6.630 11.674 -10.119 919 HB3 ARG 110 HB3 ARG 110 -7.144 10.825 -11.564 920 HG2 ARG 110 HG2 ARG 110 -9.026 12.032 -10.614 921 HG3 ARG 110 HG3 ARG 110 -9.320 10.299 -10.467 922 HD2 ARG 110 HD2 ARG 110 -8.965 10.324 -8.125 923 HD3 ARG 110 HD3 ARG 110 -8.123 11.868 -8.174 924 HE ARG 110 HE ARG 110 -11.036 11.579 -8.622 925 HH11 ARG 110 HH11 ARG 110 -8.321 13.342 -7.235 926 HH12 ARG 110 HH12 ARG 110 -9.331 14.566 -6.523 927 HH21 ARG 110 HH21 ARG 110 -12.334 13.162 -7.641 928 HH22 ARG 110 HH22 ARG 110 -11.599 14.461 -6.758 929 H ASN 111 H ASN 111 -4.201 9.957 -9.206 930 HA ASN 111 HA ASN 111 -2.868 8.778 -11.508 931 HB2 ASN 111 HB2 ASN 111 -1.890 10.941 -12.233 932 HB3 ASN 111 HB3 ASN 111 -3.639 10.937 -12.404 933 HD21 ASN 111 HD21 ASN 111 -1.826 13.203 -12.190 934 HD22 ASN 111 HD22 ASN 111 -2.353 14.120 -10.822 935 H GLU 112 H GLU 112 -0.460 9.690 -11.417 936 HA GLU 112 HA GLU 112 0.714 8.454 -9.171 937 HB2 GLU 112 HB2 GLU 112 1.758 8.365 -11.353 938 HB3 GLU 112 HB3 GLU 112 1.878 10.113 -11.435 939 HG2 GLU 112 HG2 GLU 112 3.309 9.053 -9.094 940 HG3 GLU 112 HG3 GLU 112 3.882 8.315 -10.588 941 H ASP 113 H ASP 113 0.472 11.882 -10.145 942 HA ASP 113 HA ASP 113 2.066 13.113 -8.221 943 HB2 ASP 113 HB2 ASP 113 -0.539 14.147 -9.439 944 HB3 ASP 113 HB3 ASP 113 0.608 15.150 -8.554 945 H GLU 114 H GLU 114 -1.331 12.201 -8.070 946 HA GLU 114 HA GLU 114 -1.964 13.391 -5.596 947 HB2 GLU 114 HB2 GLU 114 -3.532 12.709 -7.491 948 HB3 GLU 114 HB3 GLU 114 -3.382 11.059 -6.911 949 HG2 GLU 114 HG2 GLU 114 -5.430 12.075 -6.100 950 HG3 GLU 114 HG3 GLU 114 -4.347 11.728 -4.749 951 H ALA 115 H ALA 115 -1.173 10.055 -6.541 952 HA ALA 115 HA ALA 115 -1.445 8.825 -4.006 953 HB1 ALA 115 HB1 ALA 115 -1.477 7.585 -6.129 954 HB2 ALA 115 HB2 ALA 115 -0.254 6.938 -5.033 955 HB3 ALA 115 HB3 ALA 115 0.226 7.965 -6.388 956 H LYS 116 H LYS 116 1.215 10.455 -5.591 957 HA LYS 116 HA LYS 116 3.409 9.456 -4.135 958 HB2 LYS 116 HB2 LYS 116 3.607 10.526 -6.317 959 HB3 LYS 116 HB3 LYS 116 3.008 12.052 -5.680 960 HG2 LYS 116 HG2 LYS 116 5.036 12.439 -4.453 961 HG3 LYS 116 HG3 LYS 116 5.606 10.791 -4.735 962 HD2 LYS 116 HD2 LYS 116 5.151 12.825 -6.962 963 HD3 LYS 116 HD3 LYS 116 6.713 12.557 -6.184 964 HE2 LYS 116 HE2 LYS 116 6.725 10.223 -6.955 965 HE3 LYS 116 HE3 LYS 116 5.129 10.432 -7.679 966 HZ1 LYS 116 HZ1 LYS 116 7.583 11.901 -8.500 967 HZ2 LYS 116 HZ2 LYS 116 6.052 12.035 -9.210 968 HZ3 LYS 116 HZ3 LYS 116 6.907 10.582 -9.318 969 H LYS 117 H LYS 117 1.233 12.159 -3.529 970 HA LYS 117 HA LYS 117 2.656 13.251 -1.268 971 HB2 LYS 117 HB2 LYS 117 -0.256 13.591 -2.088 972 HB3 LYS 117 HB3 LYS 117 0.609 14.600 -0.929 973 HG2 LYS 117 HG2 LYS 117 2.044 15.483 -2.680 974 HG3 LYS 117 HG3 LYS 117 1.367 14.363 -3.865 975 HD2 LYS 117 HD2 LYS 117 -0.155 16.609 -2.469 976 HD3 LYS 117 HD3 LYS 117 0.411 16.627 -4.141 977 HE2 LYS 117 HE2 LYS 117 -1.061 14.706 -4.660 978 HE3 LYS 117 HE3 LYS 117 -1.632 14.690 -2.990 979 HZ1 LYS 117 HZ1 LYS 117 -2.026 16.857 -4.976 980 HZ2 LYS 117 HZ2 LYS 117 -2.489 16.948 -3.353 981 HZ3 LYS 117 HZ3 LYS 117 -3.206 15.808 -4.373 982 H LYS 118 H LYS 118 -0.221 11.207 -1.727 983 HA LYS 118 HA LYS 118 -1.035 11.024 0.981 984 HB2 LYS 118 HB2 LYS 118 -1.670 9.149 -1.340 985 HB3 LYS 118 HB3 LYS 118 -2.581 9.265 0.166 986 HG2 LYS 118 HG2 LYS 118 -2.285 11.452 -1.913 987 HG3 LYS 118 HG3 LYS 118 -3.719 10.451 -1.659 988 HD2 LYS 118 HD2 LYS 118 -4.161 11.465 0.475 989 HD3 LYS 118 HD3 LYS 118 -2.571 12.230 0.532 990 HE2 LYS 118 HE2 LYS 118 -4.336 13.862 0.025 991 HE3 LYS 118 HE3 LYS 118 -3.210 13.713 -1.325 992 HZ1 LYS 118 HZ1 LYS 118 -4.810 12.253 -2.411 993 HZ2 LYS 118 HZ2 LYS 118 -5.467 13.773 -2.104 994 HZ3 LYS 118 HZ3 LYS 118 -5.895 12.455 -1.133 995 H LEU 119 H LEU 119 1.189 9.203 -0.928 996 HA LEU 119 HA LEU 119 1.442 6.885 0.693 997 HB2 LEU 119 HB2 LEU 119 2.068 6.980 -1.693 998 HB3 LEU 119 HB3 LEU 119 3.339 8.133 -1.322 999 HG LEU 119 HG LEU 119 4.556 6.402 -0.027 1000 HD11 LEU 119 HD11 LEU 119 2.337 4.515 -0.868 1001 HD12 LEU 119 HD12 LEU 119 2.688 5.058 0.776 1002 HD13 LEU 119 HD13 LEU 119 3.849 4.051 -0.084 1003 HD21 LEU 119 HD21 LEU 119 5.206 4.994 -1.936 1004 HD22 LEU 119 HD22 LEU 119 5.078 6.694 -2.371 1005 HD23 LEU 119 HD23 LEU 119 3.800 5.568 -2.833 1006 H LYS 120 H LYS 120 3.213 9.957 0.465 1007 HA LYS 120 HA LYS 120 5.127 9.311 2.499 1008 HB2 LYS 120 HB2 LYS 120 4.368 11.974 1.243 1009 HB3 LYS 120 HB3 LYS 120 5.697 11.762 2.390 1010 HG2 LYS 120 HG2 LYS 120 6.760 10.141 0.843 1011 HG3 LYS 120 HG3 LYS 120 5.456 10.413 -0.322 1012 HD2 LYS 120 HD2 LYS 120 6.118 12.780 -0.522 1013 HD3 LYS 120 HD3 LYS 120 7.392 12.540 0.683 1014 HE2 LYS 120 HE2 LYS 120 8.480 10.901 -0.823 1015 HE3 LYS 120 HE3 LYS 120 7.220 11.190 -2.031 1016 HZ1 LYS 120 HZ1 LYS 120 9.160 13.177 -0.999 1017 HZ2 LYS 120 HZ2 LYS 120 7.917 13.518 -2.090 1018 HZ3 LYS 120 HZ3 LYS 120 9.162 12.467 -2.535 1019 H GLU 121 H GLU 121 1.977 10.858 2.484 1020 HA GLU 121 HA GLU 121 1.867 11.698 5.181 1021 HB2 GLU 121 HB2 GLU 121 -0.323 10.704 3.311 1022 HB3 GLU 121 HB3 GLU 121 -0.636 11.442 4.882 1023 HG2 GLU 121 HG2 GLU 121 0.301 13.548 4.161 1024 HG3 GLU 121 HG3 GLU 121 0.872 12.835 2.654 1025 H ALA 122 H ALA 122 1.281 8.574 3.637 1026 HA ALA 122 HA ALA 122 0.521 7.115 5.978 1027 HB1 ALA 122 HB1 ALA 122 0.864 5.126 4.559 1028 HB2 ALA 122 HB2 ALA 122 1.648 6.126 3.331 1029 HB3 ALA 122 HB3 ALA 122 -0.059 6.365 3.708 1030 H LEU 123 H LEU 123 3.603 7.836 4.381 1031 HA LEU 123 HA LEU 123 5.259 6.093 5.898 1032 HB2 LEU 123 HB2 LEU 123 5.925 8.627 4.359 1033 HB3 LEU 123 HB3 LEU 123 7.145 7.614 5.112 1034 HG LEU 123 HG LEU 123 5.279 6.748 2.866 1035 HD11 LEU 123 HD11 LEU 123 7.272 6.740 1.446 1036 HD12 LEU 123 HD12 LEU 123 8.246 7.364 2.780 1037 HD13 LEU 123 HD13 LEU 123 6.952 8.349 2.091 1038 HD21 LEU 123 HD21 LEU 123 6.648 4.700 2.755 1039 HD22 LEU 123 HD22 LEU 123 5.810 4.848 4.297 1040 HD23 LEU 123 HD23 LEU 123 7.536 5.212 4.195 1041 H GLU 124 H GLU 124 4.178 9.433 6.371 1042 HA GLU 124 HA GLU 124 5.739 10.130 8.604 1043 HB2 GLU 124 HB2 GLU 124 2.951 11.028 7.782 1044 HB3 GLU 124 HB3 GLU 124 3.845 11.754 9.115 1045 HG2 GLU 124 HG2 GLU 124 5.611 12.471 7.547 1046 HG3 GLU 124 HG3 GLU 124 4.722 11.739 6.213 1047 H LYS 125 H LYS 125 2.618 8.479 8.355 1048 HA LYS 125 HA LYS 125 2.067 8.264 11.142 1049 HB2 LYS 125 HB2 LYS 125 0.979 6.583 8.841 1050 HB3 LYS 125 HB3 LYS 125 0.284 6.689 10.460 1051 HG2 LYS 125 HG2 LYS 125 -0.203 9.083 10.100 1052 HG3 LYS 125 HG3 LYS 125 0.504 8.980 8.484 1053 HD2 LYS 125 HD2 LYS 125 -1.251 7.210 7.947 1054 HD3 LYS 125 HD3 LYS 125 -2.011 7.602 9.493 1055 HE2 LYS 125 HE2 LYS 125 -1.615 9.463 7.130 1056 HE3 LYS 125 HE3 LYS 125 -3.141 8.806 7.714 1057 HZ1 LYS 125 HZ1 LYS 125 -2.842 10.069 9.764 1058 HZ2 LYS 125 HZ2 LYS 125 -2.854 11.084 8.413 1059 HZ3 LYS 125 HZ3 LYS 125 -1.394 10.713 9.175 1060 H SER 126 H SER 126 3.997 6.389 8.933 1061 HA SER 126 HA SER 126 4.174 4.069 10.722 1062 HB2 SER 126 HB2 SER 126 5.466 3.067 8.843 1063 HB3 SER 126 HB3 SER 126 3.865 3.611 8.357 1064 HG SER 126 HG SER 126 4.755 4.872 6.986 1065 H GLY 127 H GLY 127 5.658 7.006 10.631 1066 HA2 GLY 127 HA2 GLY 127 7.290 7.569 12.237 1067 HA3 GLY 127 HA3 GLY 127 7.980 5.961 12.114 1068 H SER 128 H SER 128 7.726 6.389 9.016 1069 HA SER 128 HA SER 128 10.389 7.280 8.567 1070 HB2 SER 128 HB2 SER 128 8.077 6.843 6.621 1071 HB3 SER 128 HB3 SER 128 9.756 7.107 6.145 1072 HG SER 128 HG SER 128 10.316 5.182 7.021 1073 H LEU 129 H LEU 129 10.834 9.322 9.126 1074 HA LEU 129 HA LEU 129 9.173 11.562 8.130 1075 HB2 LEU 129 HB2 LEU 129 10.459 11.196 10.863 1076 HB3 LEU 129 HB3 LEU 129 9.883 12.753 10.290 1077 HG LEU 129 HG LEU 129 8.112 10.300 10.663 1078 HD11 LEU 129 HD11 LEU 129 8.922 11.117 12.827 1079 HD12 LEU 129 HD12 LEU 129 7.199 11.418 12.628 1080 HD13 LEU 129 HD13 LEU 129 8.350 12.744 12.446 1081 HD21 LEU 129 HD21 LEU 129 7.393 13.180 10.017 1082 HD22 LEU 129 HD22 LEU 129 6.244 11.884 10.363 1083 HD23 LEU 129 HD23 LEU 129 7.264 11.793 8.932 1084 H GLU 130 H GLU 130 10.471 12.080 6.404 1085 HA GLU 130 HA GLU 130 13.202 13.050 6.953 1086 HB2 GLU 130 HB2 GLU 130 12.976 11.730 4.901 1087 HB3 GLU 130 HB3 GLU 130 11.669 12.762 4.329 1088 HG2 GLU 130 HG2 GLU 130 13.331 14.687 4.320 1089 HG3 GLU 130 HG3 GLU 130 14.591 13.503 4.663 1090 H HIS 131 H HIS 131 10.431 14.286 5.032 1091 HA HIS 131 HA HIS 131 11.251 17.023 5.650 1092 HB2 HIS 131 HB2 HIS 131 10.645 16.199 3.268 1093 HB3 HIS 131 HB3 HIS 131 8.968 16.204 3.799 1094 HD2 HIS 131 HD2 HIS 131 7.863 18.788 4.262 1095 HE1 HIS 131 HE1 HIS 131 11.170 20.849 2.618 1096 HE2 HIS 131 HE2 HIS 131 8.773 21.047 3.380 1097 H HIS 132 H HIS 132 10.428 17.961 7.389 1098 HA HIS 132 HA HIS 132 7.658 17.379 8.273 1099 HB2 HIS 132 HB2 HIS 132 9.258 16.711 9.989 1100 HB3 HIS 132 HB3 HIS 132 10.106 18.250 9.876 1101 HD2 HIS 132 HD2 HIS 132 9.349 20.031 11.763 1102 HE1 HIS 132 HE1 HIS 132 5.582 18.339 12.668 1103 HE2 HIS 132 HE2 HIS 132 7.174 20.243 13.142 1104 H HIS 133 H HIS 133 6.733 18.880 6.876 1105 HA HIS 133 HA HIS 133 6.629 21.593 7.924 1106 HB2 HIS 133 HB2 HIS 133 7.429 21.026 5.033 1107 HB3 HIS 133 HB3 HIS 133 6.645 22.536 5.491 1108 HD1 HIS 133 HD1 HIS 133 9.904 20.710 5.729 1109 HD2 HIS 133 HD2 HIS 133 8.256 24.311 6.997 1110 HE1 HIS 133 HE1 HIS 133 11.838 22.105 6.506 1111 HE2 HIS 133 HE2 HIS 133 10.828 24.295 7.202 1112 H HIS 134 H HIS 134 4.583 21.055 8.633 1113 HA HIS 134 HA HIS 134 2.400 20.296 6.929 1114 HB2 HIS 134 HB2 HIS 134 2.303 19.950 9.378 1115 HB3 HIS 134 HB3 HIS 134 2.437 21.681 9.656 1116 HD1 HIS 134 HD1 HIS 134 0.300 23.094 9.396 1117 HD2 HIS 134 HD2 HIS 134 -0.273 19.064 8.550 1118 HE1 HIS 134 HE1 HIS 134 -2.188 22.760 9.308 1119 HE2 HIS 134 HE2 HIS 134 -2.497 20.370 8.616 1120 H HIS 135 H HIS 135 1.586 21.614 5.355 1121 HA HIS 135 HA HIS 135 2.492 24.358 5.154 1122 HB2 HIS 135 HB2 HIS 135 2.493 22.832 3.173 1123 HB3 HIS 135 HB3 HIS 135 0.734 22.788 3.224 1124 HD1 HIS 135 HD1 HIS 135 -0.067 24.148 1.300 1125 HD2 HIS 135 HD2 HIS 135 3.152 25.958 3.199 1126 HE1 HIS 135 HE1 HIS 135 0.292 26.324 0.099 1127 HE2 HIS 135 HE2 HIS 135 2.217 27.415 1.293 1128 H HIS 136 H HIS 136 1.298 24.984 7.101 1129 HA HIS 136 HA HIS 136 -0.814 26.711 6.482 1130 HB2 HIS 136 HB2 HIS 136 -2.188 24.580 6.589 1131 HB3 HIS 136 HB3 HIS 136 -1.689 24.380 8.262 1132 HD1 HIS 136 HD1 HIS 136 -4.088 26.192 6.094 1133 HD2 HIS 136 HD2 HIS 136 -2.886 26.269 10.073 1134 HE1 HIS 136 HE1 HIS 136 -5.829 27.537 7.304 1135 HE2 HIS 136 HE2 HIS 136 -5.162 27.429 9.727 Start of MODEL 4 1 H1 MET 1 H1 MET 1 5.024 -3.670 16.806 2 H2 MET 1 H2 MET 1 3.478 -3.256 16.279 3 H3 MET 1 H3 MET 1 4.042 -2.686 17.766 4 HA MET 1 HA MET 1 4.084 -0.970 16.091 5 HB2 MET 1 HB2 MET 1 5.751 -0.935 17.924 6 HB3 MET 1 HB3 MET 1 6.851 -1.922 16.973 7 HG2 MET 1 HG2 MET 1 7.178 -0.118 15.383 8 HG3 MET 1 HG3 MET 1 5.939 0.859 16.170 9 HE1 MET 1 HE1 MET 1 7.660 1.830 19.555 10 HE2 MET 1 HE2 MET 1 6.555 0.483 19.287 11 HE3 MET 1 HE3 MET 1 6.245 2.043 18.523 12 H GLY 2 H GLY 2 4.668 -0.274 14.025 13 HA2 GLY 2 HA2 GLY 2 6.001 -0.775 11.932 14 HA3 GLY 2 HA3 GLY 2 5.378 -2.416 12.089 15 H VAL 3 H VAL 3 4.919 -0.685 9.838 16 HA VAL 3 HA VAL 3 1.978 -0.415 9.843 17 HB VAL 3 HB VAL 3 3.931 1.850 9.215 18 HG11 VAL 3 HG11 VAL 3 0.964 1.835 8.579 19 HG12 VAL 3 HG12 VAL 3 2.271 1.799 7.397 20 HG13 VAL 3 HG13 VAL 3 2.046 3.220 8.419 21 HG21 VAL 3 HG21 VAL 3 3.289 1.711 11.577 22 HG22 VAL 3 HG22 VAL 3 1.581 1.727 11.137 23 HG23 VAL 3 HG23 VAL 3 2.579 3.151 10.843 24 H VAL 4 H VAL 4 1.089 -0.991 7.877 25 HA VAL 4 HA VAL 4 2.949 -1.649 5.646 26 HB VAL 4 HB VAL 4 0.327 -3.093 6.278 27 HG11 VAL 4 HG11 VAL 4 2.604 -3.824 4.398 28 HG12 VAL 4 HG12 VAL 4 1.016 -3.223 3.919 29 HG13 VAL 4 HG13 VAL 4 1.163 -4.800 4.698 30 HG21 VAL 4 HG21 VAL 4 1.916 -3.505 8.116 31 HG22 VAL 4 HG22 VAL 4 3.150 -3.999 6.956 32 HG23 VAL 4 HG23 VAL 4 1.685 -4.965 7.150 33 H ILE 5 H ILE 5 2.650 -0.264 4.009 34 HA ILE 5 HA ILE 5 0.018 0.955 3.482 35 HB ILE 5 HB ILE 5 2.715 1.823 2.331 36 HG12 ILE 5 HG12 ILE 5 2.312 3.882 3.946 37 HG13 ILE 5 HG13 ILE 5 1.300 2.768 4.852 38 HG21 ILE 5 HG21 ILE 5 0.807 2.462 0.936 39 HG22 ILE 5 HG22 ILE 5 1.495 3.895 1.698 40 HG23 ILE 5 HG23 ILE 5 0.002 3.198 2.325 41 HD11 ILE 5 HD11 ILE 5 4.240 2.407 4.262 42 HD12 ILE 5 HD12 ILE 5 3.233 1.316 5.219 43 HD13 ILE 5 HD13 ILE 5 3.541 2.957 5.785 44 H LEU 6 H LEU 6 -1.075 -0.254 2.031 45 HA LEU 6 HA LEU 6 0.236 -1.684 -0.165 46 HB2 LEU 6 HB2 LEU 6 -2.689 -1.720 0.622 47 HB3 LEU 6 HB3 LEU 6 -1.846 -2.892 -0.371 48 HG LEU 6 HG LEU 6 -1.393 -2.453 2.601 49 HD11 LEU 6 HD11 LEU 6 -2.887 -4.666 1.184 50 HD12 LEU 6 HD12 LEU 6 -3.570 -3.409 2.224 51 HD13 LEU 6 HD13 LEU 6 -2.487 -4.617 2.905 52 HD21 LEU 6 HD21 LEU 6 -0.241 -4.536 0.729 53 HD22 LEU 6 HD22 LEU 6 -0.064 -4.520 2.486 54 HD23 LEU 6 HD23 LEU 6 0.631 -3.221 1.523 55 H VAL 7 H VAL 7 0.577 -0.264 -1.829 56 HA VAL 7 HA VAL 7 -1.501 1.667 -2.586 57 HB VAL 7 HB VAL 7 1.289 1.305 -3.787 58 HG11 VAL 7 HG11 VAL 7 0.933 3.610 -4.646 59 HG12 VAL 7 HG12 VAL 7 -0.700 3.604 -3.980 60 HG13 VAL 7 HG13 VAL 7 -0.274 2.487 -5.276 61 HG21 VAL 7 HG21 VAL 7 0.402 3.238 -1.609 62 HG22 VAL 7 HG22 VAL 7 1.983 3.234 -2.397 63 HG23 VAL 7 HG23 VAL 7 1.490 1.863 -1.400 64 H LEU 8 H LEU 8 -3.084 0.677 -3.733 65 HA LEU 8 HA LEU 8 -2.542 -1.331 -5.793 66 HB2 LEU 8 HB2 LEU 8 -5.125 -0.112 -4.718 67 HB3 LEU 8 HB3 LEU 8 -5.093 -1.189 -6.102 68 HG LEU 8 HG LEU 8 -4.139 -2.995 -4.620 69 HD11 LEU 8 HD11 LEU 8 -4.305 -2.799 -2.185 70 HD12 LEU 8 HD12 LEU 8 -4.736 -1.095 -2.347 71 HD13 LEU 8 HD13 LEU 8 -3.141 -1.655 -2.854 72 HD21 LEU 8 HD21 LEU 8 -6.264 -3.543 -3.516 73 HD22 LEU 8 HD22 LEU 8 -6.510 -2.965 -5.161 74 HD23 LEU 8 HD23 LEU 8 -6.837 -1.895 -3.795 75 H THR 9 H THR 9 -1.882 -0.549 -7.727 76 HA THR 9 HA THR 9 -2.656 2.172 -8.583 77 HB THR 9 HB THR 9 -0.612 1.983 -10.079 78 HG1 THR 9 HG1 THR 9 -0.101 -0.364 -8.525 79 HG21 THR 9 HG21 THR 9 -0.046 1.628 -7.116 80 HG22 THR 9 HG22 THR 9 -0.433 3.154 -7.909 81 HG23 THR 9 HG23 THR 9 1.063 2.315 -8.309 82 H GLY 10 H GLY 10 -3.715 2.431 -10.471 83 HA2 GLY 10 HA2 GLY 10 -4.954 0.259 -11.851 84 HA3 GLY 10 HA3 GLY 10 -4.981 1.951 -12.317 85 H ASP 11 H ASP 11 -1.870 1.590 -12.101 86 HA ASP 11 HA ASP 11 -1.218 -0.063 -14.395 87 HB2 ASP 11 HB2 ASP 11 -1.655 2.082 -15.468 88 HB3 ASP 11 HB3 ASP 11 -0.696 2.934 -14.267 89 H GLU 12 H GLU 12 0.566 -1.172 -13.902 90 HA GLU 12 HA GLU 12 1.823 -1.000 -11.377 91 HB2 GLU 12 HB2 GLU 12 1.510 -3.094 -12.695 92 HB3 GLU 12 HB3 GLU 12 2.731 -2.540 -13.836 93 HG2 GLU 12 HG2 GLU 12 4.441 -2.612 -12.055 94 HG3 GLU 12 HG3 GLU 12 3.218 -3.119 -10.890 95 H ARG 13 H ARG 13 2.678 0.348 -14.497 96 HA ARG 13 HA ARG 13 5.352 1.073 -14.091 97 HB2 ARG 13 HB2 ARG 13 4.274 1.266 -16.263 98 HB3 ARG 13 HB3 ARG 13 3.134 2.451 -15.657 99 HG2 ARG 13 HG2 ARG 13 6.065 3.129 -15.575 100 HG3 ARG 13 HG3 ARG 13 5.249 3.145 -17.136 101 HD2 ARG 13 HD2 ARG 13 4.479 4.783 -14.694 102 HD3 ARG 13 HD3 ARG 13 5.282 5.386 -16.147 103 HE ARG 13 HE ARG 13 2.941 4.201 -17.016 104 HH11 ARG 13 HH11 ARG 13 3.686 6.865 -14.829 105 HH12 ARG 13 HH12 ARG 13 2.206 7.704 -15.171 106 HH21 ARG 13 HH21 ARG 13 1.031 5.324 -17.450 107 HH22 ARG 13 HH22 ARG 13 0.715 6.829 -16.652 108 H ILE 14 H ILE 14 2.348 2.730 -13.136 109 HA ILE 14 HA ILE 14 3.473 5.024 -11.935 110 HB ILE 14 HB ILE 14 0.843 3.612 -11.269 111 HG12 ILE 14 HG12 ILE 14 1.408 5.964 -13.136 112 HG13 ILE 14 HG13 ILE 14 0.982 4.332 -13.638 113 HG21 ILE 14 HG21 ILE 14 0.094 5.753 -10.270 114 HG22 ILE 14 HG22 ILE 14 1.698 6.433 -10.535 115 HG23 ILE 14 HG23 ILE 14 1.490 5.089 -9.414 116 HD11 ILE 14 HD11 ILE 14 -0.915 5.791 -13.843 117 HD12 ILE 14 HD12 ILE 14 -0.795 6.265 -12.150 118 HD13 ILE 14 HD13 ILE 14 -1.223 4.605 -12.577 119 H ALA 15 H ALA 15 2.801 1.767 -10.656 120 HA ALA 15 HA ALA 15 3.232 2.208 -7.923 121 HB1 ALA 15 HB1 ALA 15 2.224 0.147 -8.808 122 HB2 ALA 15 HB2 ALA 15 3.578 -0.218 -7.738 123 HB3 ALA 15 HB3 ALA 15 3.778 -0.332 -9.489 124 H GLU 16 H GLU 16 5.586 1.513 -10.507 125 HA GLU 16 HA GLU 16 7.877 1.272 -8.801 126 HB2 GLU 16 HB2 GLU 16 7.845 0.336 -11.117 127 HB3 GLU 16 HB3 GLU 16 7.781 1.972 -11.769 128 HG2 GLU 16 HG2 GLU 16 9.987 2.459 -10.731 129 HG3 GLU 16 HG3 GLU 16 10.054 0.808 -10.125 130 H GLU 17 H GLU 17 6.323 3.947 -10.520 131 HA GLU 17 HA GLU 17 8.293 5.954 -10.126 132 HB2 GLU 17 HB2 GLU 17 5.286 6.302 -10.461 133 HB3 GLU 17 HB3 GLU 17 6.494 7.574 -10.640 134 HG2 GLU 17 HG2 GLU 17 7.473 6.331 -12.555 135 HG3 GLU 17 HG3 GLU 17 6.186 5.131 -12.399 136 H LEU 18 H LEU 18 5.661 4.773 -8.162 137 HA LEU 18 HA LEU 18 5.849 6.802 -6.123 138 HB2 LEU 18 HB2 LEU 18 4.457 4.097 -6.143 139 HB3 LEU 18 HB3 LEU 18 4.225 5.350 -4.931 140 HG LEU 18 HG LEU 18 3.503 5.589 -7.873 141 HD11 LEU 18 HD11 LEU 18 1.186 5.566 -7.149 142 HD12 LEU 18 HD12 LEU 18 1.689 5.326 -5.473 143 HD13 LEU 18 HD13 LEU 18 2.014 4.080 -6.683 144 HD21 LEU 18 HD21 LEU 18 3.078 7.597 -5.635 145 HD22 LEU 18 HD22 LEU 18 2.451 7.732 -7.281 146 HD23 LEU 18 HD23 LEU 18 4.189 7.761 -7.001 147 H ARG 19 H ARG 19 7.246 3.636 -6.709 148 HA ARG 19 HA ARG 19 8.096 2.963 -4.109 149 HB2 ARG 19 HB2 ARG 19 7.998 1.366 -6.029 150 HB3 ARG 19 HB3 ARG 19 9.384 2.174 -6.760 151 HG2 ARG 19 HG2 ARG 19 10.770 1.544 -4.794 152 HG3 ARG 19 HG3 ARG 19 9.372 0.727 -4.092 153 HD2 ARG 19 HD2 ARG 19 10.767 -0.943 -5.097 154 HD3 ARG 19 HD3 ARG 19 9.324 -0.778 -6.105 155 HE ARG 19 HE ARG 19 11.791 0.672 -6.811 156 HH11 ARG 19 HH11 ARG 19 9.424 -1.799 -7.657 157 HH12 ARG 19 HH12 ARG 19 10.028 -1.978 -9.275 158 HH21 ARG 19 HH21 ARG 19 12.571 0.411 -8.901 159 HH22 ARG 19 HH22 ARG 19 11.818 -0.719 -9.981 160 H LYS 20 H LYS 20 9.786 4.599 -6.756 161 HA LYS 20 HA LYS 20 12.292 4.925 -5.513 162 HB2 LYS 20 HB2 LYS 20 12.789 6.469 -7.343 163 HB3 LYS 20 HB3 LYS 20 11.915 5.069 -7.955 164 HG2 LYS 20 HG2 LYS 20 9.796 6.620 -7.650 165 HG3 LYS 20 HG3 LYS 20 10.984 7.923 -7.681 166 HD2 LYS 20 HD2 LYS 20 10.542 5.848 -9.863 167 HD3 LYS 20 HD3 LYS 20 9.983 7.518 -9.899 168 HE2 LYS 20 HE2 LYS 20 12.361 8.271 -9.861 169 HE3 LYS 20 HE3 LYS 20 12.870 6.583 -9.934 170 HZ1 LYS 20 HZ1 LYS 20 11.703 6.368 -12.045 171 HZ2 LYS 20 HZ2 LYS 20 12.876 7.580 -12.122 172 HZ3 LYS 20 HZ3 LYS 20 11.242 7.994 -11.985 173 H GLU 21 H GLU 21 9.318 6.805 -5.314 174 HA GLU 21 HA GLU 21 10.333 9.161 -4.101 175 HB2 GLU 21 HB2 GLU 21 7.552 7.961 -3.797 176 HB3 GLU 21 HB3 GLU 21 8.013 9.620 -3.409 177 HG2 GLU 21 HG2 GLU 21 7.885 8.316 -6.129 178 HG3 GLU 21 HG3 GLU 21 6.885 9.629 -5.516 179 H VAL 22 H VAL 22 9.032 6.133 -2.775 180 HA VAL 22 HA VAL 22 9.167 6.729 -0.018 181 HB VAL 22 HB VAL 22 9.535 3.976 -1.306 182 HG11 VAL 22 HG11 VAL 22 8.676 3.076 0.842 183 HG12 VAL 22 HG12 VAL 22 8.627 4.711 1.507 184 HG13 VAL 22 HG13 VAL 22 10.174 3.983 1.072 185 HG21 VAL 22 HG21 VAL 22 7.105 3.662 -1.016 186 HG22 VAL 22 HG22 VAL 22 7.454 5.016 -2.094 187 HG23 VAL 22 HG23 VAL 22 6.957 5.323 -0.429 188 H GLN 23 H GLN 23 11.531 5.471 -2.295 189 HA GLN 23 HA GLN 23 13.544 4.758 -0.393 190 HB2 GLN 23 HB2 GLN 23 13.710 5.178 -3.410 191 HB3 GLN 23 HB3 GLN 23 14.965 4.424 -2.422 192 HG2 GLN 23 HG2 GLN 23 13.453 2.599 -1.822 193 HG3 GLN 23 HG3 GLN 23 12.131 3.363 -2.702 194 HE21 GLN 23 HE21 GLN 23 13.260 0.713 -3.050 195 HE22 GLN 23 HE22 GLN 23 13.802 0.625 -4.690 196 H LYS 24 H LYS 24 12.831 7.700 -2.219 197 HA LYS 24 HA LYS 24 15.261 9.086 -1.482 198 HB2 LYS 24 HB2 LYS 24 12.615 10.120 -2.584 199 HB3 LYS 24 HB3 LYS 24 14.017 11.147 -2.291 200 HG2 LYS 24 HG2 LYS 24 15.314 9.810 -3.943 201 HG3 LYS 24 HG3 LYS 24 13.872 8.844 -4.269 202 HD2 LYS 24 HD2 LYS 24 14.210 11.831 -4.785 203 HD3 LYS 24 HD3 LYS 24 14.144 10.557 -6.004 204 HE2 LYS 24 HE2 LYS 24 11.808 10.057 -5.328 205 HE3 LYS 24 HE3 LYS 24 11.878 11.365 -4.147 206 HZ1 LYS 24 HZ1 LYS 24 12.157 12.945 -5.921 207 HZ2 LYS 24 HZ2 LYS 24 10.780 12.006 -6.218 208 HZ3 LYS 24 HZ3 LYS 24 12.204 11.712 -7.079 209 H HIS 25 H HIS 25 12.030 8.706 -0.182 210 HA HIS 25 HA HIS 25 12.038 10.822 1.736 211 HB2 HIS 25 HB2 HIS 25 9.987 9.696 0.792 212 HB3 HIS 25 HB3 HIS 25 10.393 8.242 1.690 213 HD2 HIS 25 HD2 HIS 25 10.279 8.678 4.620 214 HE1 HIS 25 HE1 HIS 25 7.382 11.705 4.094 215 HE2 HIS 25 HE2 HIS 25 8.334 10.013 5.688 216 H ASP 26 H ASP 26 12.438 7.307 2.038 217 HA ASP 26 HA ASP 26 14.536 7.535 3.995 218 HB2 ASP 26 HB2 ASP 26 12.508 7.585 5.451 219 HB3 ASP 26 HB3 ASP 26 11.955 6.075 4.736 220 HA PRO 27 HA PRO 27 15.510 4.182 1.113 221 HB2 PRO 27 HB2 PRO 27 18.016 3.859 2.709 222 HB3 PRO 27 HB3 PRO 27 17.820 4.318 1.004 223 HG2 PRO 27 HG2 PRO 27 18.617 6.116 2.826 224 HG3 PRO 27 HG3 PRO 27 17.535 6.574 1.489 225 HD2 PRO 27 HD2 PRO 27 16.817 5.969 4.362 226 HD3 PRO 27 HD3 PRO 27 16.279 7.312 3.322 227 H ASN 28 H ASN 28 15.157 3.839 4.521 228 HA ASN 28 HA ASN 28 15.953 1.034 4.676 229 HB2 ASN 28 HB2 ASN 28 14.772 2.750 6.903 230 HB3 ASN 28 HB3 ASN 28 15.707 1.264 7.072 231 HD21 ASN 28 HD21 ASN 28 15.850 4.674 6.359 232 HD22 ASN 28 HD22 ASN 28 17.565 4.845 6.513 233 H VAL 29 H VAL 29 13.043 2.842 4.186 234 HA VAL 29 HA VAL 29 11.164 0.922 5.156 235 HB VAL 29 HB VAL 29 10.689 2.955 2.925 236 HG11 VAL 29 HG11 VAL 29 8.296 2.759 3.546 237 HG12 VAL 29 HG12 VAL 29 8.701 1.534 4.751 238 HG13 VAL 29 HG13 VAL 29 8.947 1.198 3.034 239 HG21 VAL 29 HG21 VAL 29 11.493 4.094 4.958 240 HG22 VAL 29 HG22 VAL 29 10.238 3.302 5.914 241 HG23 VAL 29 HG23 VAL 29 9.792 4.465 4.661 242 H LYS 30 H LYS 30 10.751 -1.026 4.348 243 HA LYS 30 HA LYS 30 11.935 -2.023 1.952 244 HB2 LYS 30 HB2 LYS 30 9.940 -3.196 3.922 245 HB3 LYS 30 HB3 LYS 30 10.473 -4.089 2.501 246 HG2 LYS 30 HG2 LYS 30 12.293 -3.055 4.701 247 HG3 LYS 30 HG3 LYS 30 11.725 -4.719 4.538 248 HD2 LYS 30 HD2 LYS 30 13.453 -3.233 2.519 249 HD3 LYS 30 HD3 LYS 30 14.021 -4.438 3.667 250 HE2 LYS 30 HE2 LYS 30 12.074 -4.934 1.389 251 HE3 LYS 30 HE3 LYS 30 13.763 -5.436 1.455 252 HZ1 LYS 30 HZ1 LYS 30 12.289 -7.250 2.009 253 HZ2 LYS 30 HZ2 LYS 30 11.617 -6.363 3.278 254 HZ3 LYS 30 HZ3 LYS 30 13.239 -6.836 3.347 255 H THR 31 H THR 31 11.005 -2.553 0.020 256 HA THR 31 HA THR 31 8.216 -1.719 -0.524 257 HB THR 31 HB THR 31 9.042 -0.858 -2.777 258 HG1 THR 31 HG1 THR 31 11.155 -1.936 -2.572 259 HG21 THR 31 HG21 THR 31 8.465 0.729 -0.974 260 HG22 THR 31 HG22 THR 31 9.822 1.328 -1.933 261 HG23 THR 31 HG23 THR 31 10.109 0.618 -0.340 262 H VAL 32 H VAL 32 7.101 -3.327 -1.418 263 HA VAL 32 HA VAL 32 8.522 -5.669 -2.555 264 HB VAL 32 HB VAL 32 5.787 -5.695 -1.186 265 HG11 VAL 32 HG11 VAL 32 6.129 -8.134 -1.068 266 HG12 VAL 32 HG12 VAL 32 7.683 -7.969 -1.886 267 HG13 VAL 32 HG13 VAL 32 6.191 -7.569 -2.740 268 HG21 VAL 32 HG21 VAL 32 6.874 -6.612 0.820 269 HG22 VAL 32 HG22 VAL 32 7.486 -4.995 0.460 270 HG23 VAL 32 HG23 VAL 32 8.461 -6.417 0.072 271 HA PRO 33 HA PRO 33 5.855 -4.636 -6.156 272 HB2 PRO 33 HB2 PRO 33 7.099 -6.188 -7.998 273 HB3 PRO 33 HB3 PRO 33 7.872 -4.717 -7.371 274 HG2 PRO 33 HG2 PRO 33 8.349 -7.573 -6.578 275 HG3 PRO 33 HG3 PRO 33 9.533 -6.288 -6.903 276 HD2 PRO 33 HD2 PRO 33 8.710 -6.999 -4.365 277 HD3 PRO 33 HD3 PRO 33 9.324 -5.383 -4.785 278 H THR 34 H THR 34 4.714 -6.142 -7.861 279 HA THR 34 HA THR 34 2.853 -7.713 -6.371 280 HB THR 34 HB THR 34 1.657 -8.070 -8.494 281 HG1 THR 34 HG1 THR 34 3.482 -6.632 -10.024 282 HG21 THR 34 HG21 THR 34 1.293 -5.744 -9.221 283 HG22 THR 34 HG22 THR 34 2.757 -5.237 -8.373 284 HG23 THR 34 HG23 THR 34 1.371 -5.842 -7.461 285 H LYS 35 H LYS 35 5.593 -8.508 -8.423 286 HA LYS 35 HA LYS 35 5.111 -11.210 -8.999 287 HB2 LYS 35 HB2 LYS 35 7.540 -11.437 -9.370 288 HB3 LYS 35 HB3 LYS 35 6.939 -9.943 -10.077 289 HG2 LYS 35 HG2 LYS 35 7.987 -8.588 -8.463 290 HG3 LYS 35 HG3 LYS 35 8.159 -9.915 -7.314 291 HD2 LYS 35 HD2 LYS 35 9.872 -10.959 -8.809 292 HD3 LYS 35 HD3 LYS 35 9.734 -9.580 -9.905 293 HE2 LYS 35 HE2 LYS 35 10.565 -8.071 -8.182 294 HE3 LYS 35 HE3 LYS 35 10.556 -9.368 -6.985 295 HZ1 LYS 35 HZ1 LYS 35 12.245 -9.328 -9.423 296 HZ2 LYS 35 HZ2 LYS 35 12.276 -10.492 -8.197 297 HZ3 LYS 35 HZ3 LYS 35 12.770 -8.906 -7.871 298 H ASP 36 H ASP 36 6.200 -9.675 -6.082 299 HA ASP 36 HA ASP 36 7.050 -12.180 -4.797 300 HB2 ASP 36 HB2 ASP 36 7.363 -9.256 -3.994 301 HB3 ASP 36 HB3 ASP 36 7.893 -10.601 -2.991 302 H LYS 37 H LYS 37 4.225 -11.727 -5.324 303 HA LYS 37 HA LYS 37 2.736 -10.710 -3.211 304 HB2 LYS 37 HB2 LYS 37 1.629 -11.162 -5.279 305 HB3 LYS 37 HB3 LYS 37 2.102 -12.851 -5.272 306 HG2 LYS 37 HG2 LYS 37 0.301 -11.900 -3.052 307 HG3 LYS 37 HG3 LYS 37 -0.394 -12.068 -4.664 308 HD2 LYS 37 HD2 LYS 37 0.127 -14.425 -4.742 309 HD3 LYS 37 HD3 LYS 37 1.142 -14.318 -3.306 310 HE2 LYS 37 HE2 LYS 37 -0.867 -13.817 -1.947 311 HE3 LYS 37 HE3 LYS 37 -1.871 -13.977 -3.392 312 HZ1 LYS 37 HZ1 LYS 37 -0.181 -16.125 -2.214 313 HZ2 LYS 37 HZ2 LYS 37 -1.141 -16.272 -3.596 314 HZ3 LYS 37 HZ3 LYS 37 -1.867 -16.009 -2.094 315 H GLU 38 H GLU 38 3.954 -14.054 -3.621 316 HA GLU 38 HA GLU 38 2.839 -15.105 -1.222 317 HB2 GLU 38 HB2 GLU 38 5.338 -16.025 -2.704 318 HB3 GLU 38 HB3 GLU 38 4.475 -16.953 -1.483 319 HG2 GLU 38 HG2 GLU 38 3.428 -16.164 -4.213 320 HG3 GLU 38 HG3 GLU 38 3.997 -17.763 -3.741 321 H LYS 39 H LYS 39 5.890 -13.519 -2.007 322 HA LYS 39 HA LYS 39 7.201 -13.917 0.476 323 HB2 LYS 39 HB2 LYS 39 7.680 -11.892 -1.746 324 HB3 LYS 39 HB3 LYS 39 8.729 -12.049 -0.340 325 HG2 LYS 39 HG2 LYS 39 9.198 -14.405 -0.981 326 HG3 LYS 39 HG3 LYS 39 8.210 -14.189 -2.429 327 HD2 LYS 39 HD2 LYS 39 9.760 -12.397 -3.192 328 HD3 LYS 39 HD3 LYS 39 10.747 -12.644 -1.751 329 HE2 LYS 39 HE2 LYS 39 10.256 -14.721 -3.922 330 HE3 LYS 39 HE3 LYS 39 11.717 -13.748 -3.743 331 HZ1 LYS 39 HZ1 LYS 39 12.006 -15.948 -2.795 332 HZ2 LYS 39 HZ2 LYS 39 10.697 -15.704 -1.753 333 HZ3 LYS 39 HZ3 LYS 39 12.093 -14.769 -1.587 334 H VAL 40 H VAL 40 4.803 -11.577 -0.581 335 HA VAL 40 HA VAL 40 5.328 -9.362 1.025 336 HB VAL 40 HB VAL 40 2.549 -10.417 0.292 337 HG11 VAL 40 HG11 VAL 40 3.384 -7.651 1.261 338 HG12 VAL 40 HG12 VAL 40 2.389 -8.813 2.141 339 HG13 VAL 40 HG13 VAL 40 1.778 -8.075 0.664 340 HG21 VAL 40 HG21 VAL 40 3.928 -9.955 -1.700 341 HG22 VAL 40 HG22 VAL 40 4.238 -8.320 -1.123 342 HG23 VAL 40 HG23 VAL 40 2.599 -8.803 -1.570 343 H LYS 41 H LYS 41 3.434 -12.258 1.837 344 HA LYS 41 HA LYS 41 2.534 -11.659 4.382 345 HB2 LYS 41 HB2 LYS 41 1.744 -13.615 3.202 346 HB3 LYS 41 HB3 LYS 41 3.365 -14.298 3.120 347 HG2 LYS 41 HG2 LYS 41 3.354 -14.567 5.588 348 HG3 LYS 41 HG3 LYS 41 1.702 -13.940 5.634 349 HD2 LYS 41 HD2 LYS 41 0.854 -15.849 4.422 350 HD3 LYS 41 HD3 LYS 41 2.486 -16.410 4.035 351 HE2 LYS 41 HE2 LYS 41 1.295 -16.287 6.831 352 HE3 LYS 41 HE3 LYS 41 1.444 -17.744 5.848 353 HZ1 LYS 41 HZ1 LYS 41 3.727 -16.073 6.764 354 HZ2 LYS 41 HZ2 LYS 41 3.831 -17.506 5.881 355 HZ3 LYS 41 HZ3 LYS 41 3.241 -17.535 7.462 356 H GLU 42 H GLU 42 5.636 -13.064 3.393 357 HA GLU 42 HA GLU 42 6.729 -13.364 6.009 358 HB2 GLU 42 HB2 GLU 42 8.297 -13.090 3.418 359 HB3 GLU 42 HB3 GLU 42 8.815 -13.887 4.901 360 HG2 GLU 42 HG2 GLU 42 6.659 -14.819 2.985 361 HG3 GLU 42 HG3 GLU 42 8.251 -15.540 3.209 362 H GLU 43 H GLU 43 6.884 -10.849 3.531 363 HA GLU 43 HA GLU 43 8.929 -9.244 4.643 364 HB2 GLU 43 HB2 GLU 43 6.670 -8.601 2.700 365 HB3 GLU 43 HB3 GLU 43 7.965 -7.476 3.084 366 HG2 GLU 43 HG2 GLU 43 8.487 -10.221 1.924 367 HG3 GLU 43 HG3 GLU 43 8.195 -8.799 0.927 368 H ILE 44 H ILE 44 5.435 -9.306 5.120 369 HA ILE 44 HA ILE 44 5.194 -6.893 6.655 370 HB ILE 44 HB ILE 44 3.337 -9.303 6.373 371 HG12 ILE 44 HG12 ILE 44 3.143 -6.490 5.194 372 HG13 ILE 44 HG13 ILE 44 3.616 -7.937 4.309 373 HG21 ILE 44 HG21 ILE 44 2.733 -6.682 7.788 374 HG22 ILE 44 HG22 ILE 44 2.907 -8.260 8.557 375 HG23 ILE 44 HG23 ILE 44 1.562 -7.960 7.457 376 HD11 ILE 44 HD11 ILE 44 0.907 -7.410 5.533 377 HD12 ILE 44 HD12 ILE 44 1.383 -8.882 4.680 378 HD13 ILE 44 HD13 ILE 44 1.331 -7.344 3.823 379 H GLU 45 H GLU 45 5.614 -10.341 7.384 380 HA GLU 45 HA GLU 45 5.620 -10.291 10.191 381 HB2 GLU 45 HB2 GLU 45 5.595 -12.413 8.968 382 HB3 GLU 45 HB3 GLU 45 7.154 -12.050 8.239 383 HG2 GLU 45 HG2 GLU 45 8.159 -12.109 10.565 384 HG3 GLU 45 HG3 GLU 45 6.611 -12.719 11.146 385 H LYS 46 H LYS 46 8.224 -9.636 7.816 386 HA LYS 46 HA LYS 46 10.338 -9.406 9.725 387 HB2 LYS 46 HB2 LYS 46 10.362 -8.037 7.008 388 HB3 LYS 46 HB3 LYS 46 11.740 -8.571 7.961 389 HG2 LYS 46 HG2 LYS 46 9.819 -10.225 6.329 390 HG3 LYS 46 HG3 LYS 46 11.562 -10.080 6.141 391 HD2 LYS 46 HD2 LYS 46 11.902 -11.366 8.233 392 HD3 LYS 46 HD3 LYS 46 10.150 -11.451 8.469 393 HE2 LYS 46 HE2 LYS 46 9.940 -12.742 6.363 394 HE3 LYS 46 HE3 LYS 46 11.693 -12.684 6.158 395 HZ1 LYS 46 HZ1 LYS 46 10.308 -13.918 8.472 396 HZ2 LYS 46 HZ2 LYS 46 11.965 -13.960 8.154 397 HZ3 LYS 46 HZ3 LYS 46 10.890 -14.777 7.137 398 H ALA 47 H ALA 47 8.220 -7.059 8.112 399 HA ALA 47 HA ALA 47 9.330 -4.673 9.147 400 HB1 ALA 47 HB1 ALA 47 6.483 -5.217 8.234 401 HB2 ALA 47 HB2 ALA 47 7.823 -4.733 7.194 402 HB3 ALA 47 HB3 ALA 47 7.228 -3.623 8.427 403 H ARG 48 H ARG 48 6.887 -6.897 10.398 404 HA ARG 48 HA ARG 48 6.073 -5.370 12.657 405 HB2 ARG 48 HB2 ARG 48 4.759 -7.292 11.743 406 HB3 ARG 48 HB3 ARG 48 6.035 -8.398 12.249 407 HG2 ARG 48 HG2 ARG 48 5.624 -7.695 14.630 408 HG3 ARG 48 HG3 ARG 48 4.270 -6.715 14.061 409 HD2 ARG 48 HD2 ARG 48 3.225 -8.799 13.141 410 HD3 ARG 48 HD3 ARG 48 4.545 -9.728 13.860 411 HE ARG 48 HE ARG 48 3.369 -8.139 15.850 412 HH11 ARG 48 HH11 ARG 48 2.523 -10.923 13.867 413 HH12 ARG 48 HH12 ARG 48 1.427 -11.574 15.047 414 HH21 ARG 48 HH21 ARG 48 1.917 -8.976 17.360 415 HH22 ARG 48 HH22 ARG 48 1.083 -10.465 17.036 416 H LYS 49 H LYS 49 8.502 -7.887 12.135 417 HA LYS 49 HA LYS 49 9.245 -8.267 14.862 418 HB2 LYS 49 HB2 LYS 49 9.441 -9.870 12.804 419 HB3 LYS 49 HB3 LYS 49 10.934 -9.025 12.430 420 HG2 LYS 49 HG2 LYS 49 10.467 -10.359 15.112 421 HG3 LYS 49 HG3 LYS 49 11.080 -11.256 13.723 422 HD2 LYS 49 HD2 LYS 49 13.053 -9.778 13.618 423 HD3 LYS 49 HD3 LYS 49 12.427 -8.820 14.963 424 HE2 LYS 49 HE2 LYS 49 12.603 -10.786 16.444 425 HE3 LYS 49 HE3 LYS 49 13.221 -11.751 15.100 426 HZ1 LYS 49 HZ1 LYS 49 15.147 -10.355 14.980 427 HZ2 LYS 49 HZ2 LYS 49 14.971 -10.891 16.573 428 HZ3 LYS 49 HZ3 LYS 49 14.539 -9.312 16.161 429 H GLN 50 H GLN 50 10.405 -6.242 12.255 430 HA GLN 50 HA GLN 50 12.736 -5.236 13.719 431 HB2 GLN 50 HB2 GLN 50 11.693 -4.671 10.901 432 HB3 GLN 50 HB3 GLN 50 13.182 -3.996 11.564 433 HG2 GLN 50 HG2 GLN 50 14.221 -6.161 11.694 434 HG3 GLN 50 HG3 GLN 50 12.699 -6.986 11.359 435 HE21 GLN 50 HE21 GLN 50 13.574 -8.117 9.611 436 HE22 GLN 50 HE22 GLN 50 13.966 -7.360 8.106 437 H GLY 51 H GLY 51 9.431 -4.441 13.263 438 HA2 GLY 51 HA2 GLY 51 8.127 -2.843 14.232 439 HA3 GLY 51 HA3 GLY 51 9.526 -2.329 15.153 440 H ARG 52 H ARG 52 9.021 -2.346 11.654 441 HA ARG 52 HA ARG 52 9.094 0.586 11.518 442 HB2 ARG 52 HB2 ARG 52 11.142 -1.324 10.319 443 HB3 ARG 52 HB3 ARG 52 10.837 0.246 9.584 444 HG2 ARG 52 HG2 ARG 52 11.431 1.345 11.750 445 HG3 ARG 52 HG3 ARG 52 11.843 -0.240 12.408 446 HD2 ARG 52 HD2 ARG 52 13.162 1.004 9.967 447 HD3 ARG 52 HD3 ARG 52 13.819 1.078 11.601 448 HE ARG 52 HE ARG 52 14.106 -1.309 11.556 449 HH11 ARG 52 HH11 ARG 52 13.414 0.087 8.388 450 HH12 ARG 52 HH12 ARG 52 14.099 -1.256 7.528 451 HH21 ARG 52 HH21 ARG 52 15.008 -3.015 10.426 452 HH22 ARG 52 HH22 ARG 52 15.007 -3.017 8.690 453 HA PRO 53 HA PRO 53 6.128 0.103 8.255 454 HB2 PRO 53 HB2 PRO 53 6.737 2.072 6.428 455 HB3 PRO 53 HB3 PRO 53 6.081 2.416 8.041 456 HG2 PRO 53 HG2 PRO 53 8.951 2.477 7.144 457 HG3 PRO 53 HG3 PRO 53 8.042 3.690 8.078 458 HD2 PRO 53 HD2 PRO 53 9.667 1.937 9.313 459 HD3 PRO 53 HD3 PRO 53 8.135 2.444 10.060 460 H ILE 54 H ILE 54 5.698 -0.273 6.026 461 HA ILE 54 HA ILE 54 7.758 -1.077 4.161 462 HB ILE 54 HB ILE 54 7.538 -3.149 5.480 463 HG12 ILE 54 HG12 ILE 54 6.134 -3.398 2.783 464 HG13 ILE 54 HG13 ILE 54 7.874 -3.415 3.051 465 HG21 ILE 54 HG21 ILE 54 4.561 -3.075 4.888 466 HG22 ILE 54 HG22 ILE 54 5.309 -2.766 6.455 467 HG23 ILE 54 HG23 ILE 54 5.420 -4.371 5.729 468 HD11 ILE 54 HD11 ILE 54 7.055 -5.635 2.675 469 HD12 ILE 54 HD12 ILE 54 5.901 -5.486 3.995 470 HD13 ILE 54 HD13 ILE 54 7.636 -5.494 4.328 471 H VAL 55 H VAL 55 6.956 -0.854 2.066 472 HA VAL 55 HA VAL 55 4.089 -0.242 1.708 473 HB VAL 55 HB VAL 55 6.395 0.844 0.019 474 HG11 VAL 55 HG11 VAL 55 4.670 2.334 -0.951 475 HG12 VAL 55 HG12 VAL 55 3.434 1.545 0.032 476 HG13 VAL 55 HG13 VAL 55 4.280 0.632 -1.221 477 HG21 VAL 55 HG21 VAL 55 5.995 3.033 1.087 478 HG22 VAL 55 HG22 VAL 55 6.479 1.829 2.285 479 HG23 VAL 55 HG23 VAL 55 4.784 2.306 2.148 480 H VAL 56 H VAL 56 3.097 -1.813 0.634 481 HA VAL 56 HA VAL 56 4.546 -3.551 -1.265 482 HB VAL 56 HB VAL 56 1.768 -3.926 -0.020 483 HG11 VAL 56 HG11 VAL 56 1.933 -6.256 -0.871 484 HG12 VAL 56 HG12 VAL 56 3.472 -5.867 -1.646 485 HG13 VAL 56 HG13 VAL 56 1.988 -5.077 -2.188 486 HG21 VAL 56 HG21 VAL 56 4.410 -5.256 0.750 487 HG22 VAL 56 HG22 VAL 56 2.825 -5.643 1.425 488 HG23 VAL 56 HG23 VAL 56 3.536 -4.054 1.708 489 H PHE 57 H PHE 57 4.052 -3.441 -3.372 490 HA PHE 57 HA PHE 57 2.077 -1.487 -4.312 491 HB2 PHE 57 HB2 PHE 57 4.629 -2.569 -5.584 492 HB3 PHE 57 HB3 PHE 57 3.482 -1.524 -6.429 493 HD1 PHE 57 HD1 PHE 57 2.952 0.763 -5.433 494 HD2 PHE 57 HD2 PHE 57 6.280 -1.595 -4.127 495 HE1 PHE 57 HE1 PHE 57 3.962 2.753 -4.414 496 HE2 PHE 57 HE2 PHE 57 7.286 0.408 -3.119 497 HZ PHE 57 HZ PHE 57 6.127 2.580 -3.257 498 H VAL 58 H VAL 58 0.307 -2.362 -4.847 499 HA VAL 58 HA VAL 58 0.071 -5.002 -6.162 500 HB VAL 58 HB VAL 58 -2.014 -3.424 -4.552 501 HG11 VAL 58 HG11 VAL 58 -3.384 -5.461 -4.636 502 HG12 VAL 58 HG12 VAL 58 -2.156 -6.269 -5.609 503 HG13 VAL 58 HG13 VAL 58 -3.029 -4.883 -6.265 504 HG21 VAL 58 HG21 VAL 58 -0.211 -4.240 -3.071 505 HG22 VAL 58 HG22 VAL 58 -0.438 -5.880 -3.683 506 HG23 VAL 58 HG23 VAL 58 -1.724 -5.098 -2.760 507 H ARG 59 H ARG 59 -1.391 -5.058 -8.056 508 HA ARG 59 HA ARG 59 -1.841 -2.460 -9.373 509 HB2 ARG 59 HB2 ARG 59 -2.376 -5.286 -10.379 510 HB3 ARG 59 HB3 ARG 59 -2.568 -3.813 -11.331 511 HG2 ARG 59 HG2 ARG 59 -0.112 -3.389 -11.085 512 HG3 ARG 59 HG3 ARG 59 0.035 -4.933 -10.234 513 HD2 ARG 59 HD2 ARG 59 -0.785 -4.474 -13.121 514 HD3 ARG 59 HD3 ARG 59 0.638 -5.340 -12.526 515 HE ARG 59 HE ARG 59 -1.304 -6.793 -11.443 516 HH11 ARG 59 HH11 ARG 59 -0.986 -5.683 -14.770 517 HH12 ARG 59 HH12 ARG 59 -1.893 -7.013 -15.414 518 HH21 ARG 59 HH21 ARG 59 -2.588 -8.426 -12.275 519 HH22 ARG 59 HH22 ARG 59 -2.803 -8.571 -13.996 520 H GLY 60 H GLY 60 -3.991 -2.134 -10.461 521 HA2 GLY 60 HA2 GLY 60 -6.217 -2.425 -8.615 522 HA3 GLY 60 HA3 GLY 60 -6.193 -1.531 -10.132 523 H GLY 61 H GLY 61 -5.970 -4.842 -8.942 524 HA2 GLY 61 HA2 GLY 61 -7.962 -6.054 -10.511 525 HA3 GLY 61 HA3 GLY 61 -6.426 -6.200 -11.372 526 H ASP 62 H ASP 62 -4.718 -6.318 -9.161 527 HA ASP 62 HA ASP 62 -5.068 -8.978 -8.054 528 HB2 ASP 62 HB2 ASP 62 -2.943 -6.825 -7.629 529 HB3 ASP 62 HB3 ASP 62 -2.853 -8.444 -6.938 530 H ASP 63 H ASP 63 -6.982 -6.783 -7.312 531 HA ASP 63 HA ASP 63 -6.688 -5.802 -4.717 532 HB2 ASP 63 HB2 ASP 63 -8.359 -4.966 -6.343 533 HB3 ASP 63 HB3 ASP 63 -9.223 -6.496 -6.280 534 H GLU 64 H GLU 64 -7.938 -8.877 -5.921 535 HA GLU 64 HA GLU 64 -9.090 -9.908 -3.554 536 HB2 GLU 64 HB2 GLU 64 -7.897 -11.354 -5.958 537 HB3 GLU 64 HB3 GLU 64 -8.871 -12.136 -4.711 538 HG2 GLU 64 HG2 GLU 64 -10.817 -10.849 -5.312 539 HG3 GLU 64 HG3 GLU 64 -9.882 -9.843 -6.424 540 H ARG 65 H ARG 65 -5.808 -9.900 -4.761 541 HA ARG 65 HA ARG 65 -4.734 -11.585 -2.666 542 HB2 ARG 65 HB2 ARG 65 -3.367 -9.804 -4.748 543 HB3 ARG 65 HB3 ARG 65 -2.526 -10.937 -3.688 544 HG2 ARG 65 HG2 ARG 65 -3.685 -12.827 -4.698 545 HG3 ARG 65 HG3 ARG 65 -4.683 -11.749 -5.669 546 HD2 ARG 65 HD2 ARG 65 -2.738 -11.072 -6.982 547 HD3 ARG 65 HD3 ARG 65 -1.666 -12.039 -5.956 548 HE ARG 65 HE ARG 65 -3.274 -13.942 -6.747 549 HH11 ARG 65 HH11 ARG 65 -1.985 -11.371 -8.791 550 HH12 ARG 65 HH12 ARG 65 -2.062 -12.335 -10.230 551 HH21 ARG 65 HH21 ARG 65 -3.421 -15.149 -8.643 552 HH22 ARG 65 HH22 ARG 65 -2.877 -14.478 -10.150 553 H ALA 66 H ALA 66 -5.137 -8.130 -3.294 554 HA ALA 66 HA ALA 66 -3.370 -7.115 -1.311 555 HB1 ALA 66 HB1 ALA 66 -5.745 -5.747 -2.618 556 HB2 ALA 66 HB2 ALA 66 -4.097 -5.785 -3.246 557 HB3 ALA 66 HB3 ALA 66 -4.438 -4.948 -1.733 558 H LYS 67 H LYS 67 -6.831 -7.900 -1.238 559 HA LYS 67 HA LYS 67 -7.428 -6.693 1.281 560 HB2 LYS 67 HB2 LYS 67 -9.502 -8.199 1.213 561 HB3 LYS 67 HB3 LYS 67 -9.296 -7.113 -0.157 562 HG2 LYS 67 HG2 LYS 67 -8.396 -8.971 -1.500 563 HG3 LYS 67 HG3 LYS 67 -8.606 -10.070 -0.140 564 HD2 LYS 67 HD2 LYS 67 -10.952 -8.545 -1.328 565 HD3 LYS 67 HD3 LYS 67 -10.393 -10.067 -2.023 566 HE2 LYS 67 HE2 LYS 67 -11.363 -9.685 0.830 567 HE3 LYS 67 HE3 LYS 67 -12.271 -10.425 -0.491 568 HZ1 LYS 67 HZ1 LYS 67 -11.256 -12.093 0.938 569 HZ2 LYS 67 HZ2 LYS 67 -9.716 -11.464 0.625 570 HZ3 LYS 67 HZ3 LYS 67 -10.613 -12.167 -0.624 571 H ASP 68 H ASP 68 -6.331 -9.916 0.344 572 HA ASP 68 HA ASP 68 -6.486 -11.103 2.952 573 HB2 ASP 68 HB2 ASP 68 -5.178 -11.902 0.329 574 HB3 ASP 68 HB3 ASP 68 -4.941 -12.866 1.783 575 H ILE 69 H ILE 69 -3.937 -9.530 1.078 576 HA ILE 69 HA ILE 69 -1.767 -9.809 2.872 577 HB ILE 69 HB ILE 69 -2.432 -7.714 0.759 578 HG12 ILE 69 HG12 ILE 69 -0.309 -9.911 0.738 579 HG13 ILE 69 HG13 ILE 69 -1.892 -10.051 -0.014 580 HG21 ILE 69 HG21 ILE 69 -0.112 -6.867 0.914 581 HG22 ILE 69 HG22 ILE 69 0.157 -7.884 2.329 582 HG23 ILE 69 HG23 ILE 69 -1.025 -6.575 2.396 583 HD11 ILE 69 HD11 ILE 69 -1.319 -8.192 -1.528 584 HD12 ILE 69 HD12 ILE 69 -0.221 -9.562 -1.671 585 HD13 ILE 69 HD13 ILE 69 0.290 -8.118 -0.799 586 H ALA 70 H ALA 70 -4.352 -7.421 2.571 587 HA ALA 70 HA ALA 70 -3.526 -5.562 4.536 588 HB1 ALA 70 HB1 ALA 70 -5.795 -4.662 4.332 589 HB2 ALA 70 HB2 ALA 70 -6.333 -6.128 3.508 590 HB3 ALA 70 HB3 ALA 70 -5.165 -5.058 2.734 591 H GLU 71 H GLU 71 -5.659 -8.372 4.595 592 HA GLU 71 HA GLU 71 -6.638 -8.057 7.249 593 HB2 GLU 71 HB2 GLU 71 -7.827 -9.308 5.450 594 HB3 GLU 71 HB3 GLU 71 -6.565 -10.536 5.475 595 HG2 GLU 71 HG2 GLU 71 -7.167 -11.135 7.777 596 HG3 GLU 71 HG3 GLU 71 -8.384 -9.859 7.809 597 H TYR 72 H TYR 72 -3.956 -9.886 5.809 598 HA TYR 72 HA TYR 72 -3.097 -11.270 8.120 599 HB2 TYR 72 HB2 TYR 72 -2.245 -11.887 5.877 600 HB3 TYR 72 HB3 TYR 72 -1.441 -10.325 5.725 601 HD1 TYR 72 HD1 TYR 72 -1.472 -13.459 7.788 602 HD2 TYR 72 HD2 TYR 72 0.801 -10.047 6.579 603 HE1 TYR 72 HE1 TYR 72 0.500 -14.368 8.928 604 HE2 TYR 72 HE2 TYR 72 2.774 -10.963 7.715 605 HH TYR 72 HH TYR 72 3.219 -12.526 9.621 606 H ALA 73 H ALA 73 -2.066 -8.162 6.706 607 HA ALA 73 HA ALA 73 -0.202 -7.362 8.643 608 HB1 ALA 73 HB1 ALA 73 -0.500 -5.107 7.691 609 HB2 ALA 73 HB2 ALA 73 -1.961 -5.651 6.860 610 HB3 ALA 73 HB3 ALA 73 -0.391 -6.332 6.426 611 H GLN 74 H GLN 74 -3.709 -7.041 8.538 612 HA GLN 74 HA GLN 74 -4.100 -5.327 10.755 613 HB2 GLN 74 HB2 GLN 74 -5.833 -5.877 9.007 614 HB3 GLN 74 HB3 GLN 74 -5.978 -7.487 9.703 615 HG2 GLN 74 HG2 GLN 74 -6.616 -6.308 11.895 616 HG3 GLN 74 HG3 GLN 74 -6.759 -4.837 10.943 617 HE21 GLN 74 HE21 GLN 74 -8.447 -4.687 9.400 618 HE22 GLN 74 HE22 GLN 74 -9.803 -5.747 9.442 619 H LYS 75 H LYS 75 -3.995 -8.866 10.412 620 HA LYS 75 HA LYS 75 -4.483 -9.607 13.088 621 HB2 LYS 75 HB2 LYS 75 -3.457 -10.961 10.642 622 HB3 LYS 75 HB3 LYS 75 -2.855 -11.661 12.129 623 HG2 LYS 75 HG2 LYS 75 -4.713 -12.961 11.583 624 HG3 LYS 75 HG3 LYS 75 -5.292 -11.898 12.856 625 HD2 LYS 75 HD2 LYS 75 -5.755 -11.231 9.935 626 HD3 LYS 75 HD3 LYS 75 -6.807 -12.361 10.780 627 HE2 LYS 75 HE2 LYS 75 -7.333 -10.577 12.437 628 HE3 LYS 75 HE3 LYS 75 -6.342 -9.454 11.501 629 HZ1 LYS 75 HZ1 LYS 75 -8.728 -10.883 10.465 630 HZ2 LYS 75 HZ2 LYS 75 -7.819 -9.719 9.643 631 HZ3 LYS 75 HZ3 LYS 75 -8.715 -9.283 11.004 632 H GLU 76 H GLU 76 -1.538 -8.601 11.441 633 HA GLU 76 HA GLU 76 0.299 -9.362 13.506 634 HB2 GLU 76 HB2 GLU 76 0.680 -7.297 11.299 635 HB3 GLU 76 HB3 GLU 76 1.952 -8.054 12.249 636 HG2 GLU 76 HG2 GLU 76 0.209 -9.307 10.133 637 HG3 GLU 76 HG3 GLU 76 1.955 -9.099 10.118 638 H GLY 77 H GLY 77 -1.951 -6.837 13.280 639 HA2 GLY 77 HA2 GLY 77 -2.467 -5.121 14.717 640 HA3 GLY 77 HA3 GLY 77 -1.072 -5.542 15.703 641 H LEU 78 H LEU 78 -0.717 -5.000 12.293 642 HA LEU 78 HA LEU 78 0.855 -2.556 12.762 643 HB2 LEU 78 HB2 LEU 78 0.614 -4.187 10.194 644 HB3 LEU 78 HB3 LEU 78 1.779 -2.914 10.530 645 HG LEU 78 HG LEU 78 1.698 -5.705 11.718 646 HD11 LEU 78 HD11 LEU 78 3.921 -5.951 10.740 647 HD12 LEU 78 HD12 LEU 78 3.825 -4.319 10.069 648 HD13 LEU 78 HD13 LEU 78 2.714 -5.573 9.512 649 HD21 LEU 78 HD21 LEU 78 3.512 -3.438 12.578 650 HD22 LEU 78 HD22 LEU 78 3.669 -5.125 13.071 651 HD23 LEU 78 HD23 LEU 78 2.251 -4.199 13.546 652 H ARG 79 H ARG 79 0.279 -0.594 11.867 653 HA ARG 79 HA ARG 79 -2.474 -0.169 11.252 654 HB2 ARG 79 HB2 ARG 79 -0.589 1.459 12.294 655 HB3 ARG 79 HB3 ARG 79 -0.404 1.955 10.621 656 HG2 ARG 79 HG2 ARG 79 -2.956 2.106 12.265 657 HG3 ARG 79 HG3 ARG 79 -1.905 3.460 11.860 658 HD2 ARG 79 HD2 ARG 79 -2.486 3.293 9.518 659 HD3 ARG 79 HD3 ARG 79 -3.353 1.779 9.782 660 HE ARG 79 HE ARG 79 -4.231 4.480 10.543 661 HH11 ARG 79 HH11 ARG 79 -4.983 1.056 10.250 662 HH12 ARG 79 HH12 ARG 79 -6.678 1.296 10.488 663 HH21 ARG 79 HH21 ARG 79 -6.458 4.769 10.810 664 HH22 ARG 79 HH22 ARG 79 -7.510 3.389 10.802 665 H VAL 80 H VAL 80 -3.374 -0.630 9.318 666 HA VAL 80 HA VAL 80 -1.703 -0.872 6.916 667 HB VAL 80 HB VAL 80 -4.636 -1.652 7.209 668 HG11 VAL 80 HG11 VAL 80 -3.886 -1.423 4.882 669 HG12 VAL 80 HG12 VAL 80 -4.202 -3.117 5.265 670 HG13 VAL 80 HG13 VAL 80 -2.539 -2.526 5.188 671 HG21 VAL 80 HG21 VAL 80 -2.218 -3.436 7.668 672 HG22 VAL 80 HG22 VAL 80 -3.899 -3.976 7.622 673 HG23 VAL 80 HG23 VAL 80 -3.359 -2.889 8.903 674 H ILE 81 H ILE 81 -1.708 0.675 5.430 675 HA ILE 81 HA ILE 81 -4.008 2.522 5.104 676 HB ILE 81 HB ILE 81 -1.051 3.038 4.462 677 HG12 ILE 81 HG12 ILE 81 -1.494 5.131 5.967 678 HG13 ILE 81 HG13 ILE 81 -2.929 4.274 6.511 679 HG21 ILE 81 HG21 ILE 81 -1.733 5.266 3.608 680 HG22 ILE 81 HG22 ILE 81 -3.425 4.815 3.803 681 HG23 ILE 81 HG23 ILE 81 -2.414 3.953 2.642 682 HD11 ILE 81 HD11 ILE 81 -0.091 3.307 6.783 683 HD12 ILE 81 HD12 ILE 81 -1.533 2.484 7.383 684 HD13 ILE 81 HD13 ILE 81 -1.067 4.048 8.051 685 H VAL 82 H VAL 82 -4.890 2.548 3.042 686 HA VAL 82 HA VAL 82 -3.610 0.892 0.926 687 HB VAL 82 HB VAL 82 -6.595 1.130 1.551 688 HG11 VAL 82 HG11 VAL 82 -5.247 -0.427 -0.682 689 HG12 VAL 82 HG12 VAL 82 -6.245 1.014 -0.880 690 HG13 VAL 82 HG13 VAL 82 -6.968 -0.486 -0.289 691 HG21 VAL 82 HG21 VAL 82 -5.429 -0.366 3.126 692 HG22 VAL 82 HG22 VAL 82 -4.753 -1.282 1.776 693 HG23 VAL 82 HG23 VAL 82 -6.493 -1.292 2.063 694 H ILE 83 H ILE 83 -3.198 2.067 -0.904 695 HA ILE 83 HA ILE 83 -4.666 4.619 -1.352 696 HB ILE 83 HB ILE 83 -1.720 4.074 -1.967 697 HG12 ILE 83 HG12 ILE 83 -2.922 5.917 0.153 698 HG13 ILE 83 HG13 ILE 83 -2.227 4.337 0.489 699 HG21 ILE 83 HG21 ILE 83 -2.726 5.603 -3.613 700 HG22 ILE 83 HG22 ILE 83 -1.599 6.476 -2.576 701 HG23 ILE 83 HG23 ILE 83 -3.337 6.629 -2.311 702 HD11 ILE 83 HD11 ILE 83 -0.746 6.723 -0.598 703 HD12 ILE 83 HD12 ILE 83 -0.052 5.130 -0.278 704 HD13 ILE 83 HD13 ILE 83 -0.691 6.096 1.048 705 H ILE 84 H ILE 84 -6.027 4.142 -2.961 706 HA ILE 84 HA ILE 84 -5.242 2.413 -5.199 707 HB ILE 84 HB ILE 84 -7.922 3.795 -4.728 708 HG12 ILE 84 HG12 ILE 84 -7.125 0.932 -4.014 709 HG13 ILE 84 HG13 ILE 84 -7.328 2.238 -2.849 710 HG21 ILE 84 HG21 ILE 84 -7.192 1.467 -6.552 711 HG22 ILE 84 HG22 ILE 84 -7.546 3.115 -7.079 712 HG23 ILE 84 HG23 ILE 84 -8.812 2.135 -6.335 713 HD11 ILE 84 HD11 ILE 84 -9.244 0.819 -2.868 714 HD12 ILE 84 HD12 ILE 84 -9.468 1.059 -4.599 715 HD13 ILE 84 HD13 ILE 84 -9.681 2.411 -3.481 716 H VAL 85 H VAL 85 -4.765 3.198 -7.201 717 HA VAL 85 HA VAL 85 -4.757 6.132 -7.630 718 HB VAL 85 HB VAL 85 -2.743 4.175 -8.833 719 HG11 VAL 85 HG11 VAL 85 -2.660 7.203 -8.532 720 HG12 VAL 85 HG12 VAL 85 -2.961 6.314 -10.027 721 HG13 VAL 85 HG13 VAL 85 -1.386 6.205 -9.239 722 HG21 VAL 85 HG21 VAL 85 -2.506 4.034 -6.393 723 HG22 VAL 85 HG22 VAL 85 -2.374 5.790 -6.283 724 HG23 VAL 85 HG23 VAL 85 -1.114 4.860 -7.101 725 H SER 86 H SER 86 -6.493 6.423 -8.954 726 HA SER 86 HA SER 86 -6.465 5.431 -11.652 727 HB2 SER 86 HB2 SER 86 -7.569 3.502 -10.529 728 HB3 SER 86 HB3 SER 86 -8.767 4.581 -9.815 729 HG SER 86 HG SER 86 -8.678 3.474 -12.301 730 H GLN 87 H GLN 87 -7.987 6.523 -12.983 731 HA GLN 87 HA GLN 87 -8.788 9.171 -12.082 732 HB2 GLN 87 HB2 GLN 87 -9.398 9.543 -14.437 733 HB3 GLN 87 HB3 GLN 87 -7.782 8.853 -14.325 734 HG2 GLN 87 HG2 GLN 87 -8.716 6.623 -14.894 735 HG3 GLN 87 HG3 GLN 87 -10.313 7.347 -15.060 736 HE21 GLN 87 HE21 GLN 87 -10.724 8.715 -16.845 737 HE22 GLN 87 HE22 GLN 87 -9.713 8.698 -18.251 738 H ASP 88 H ASP 88 -10.237 6.049 -12.514 739 HA ASP 88 HA ASP 88 -12.974 6.930 -12.853 740 HB2 ASP 88 HB2 ASP 88 -11.859 4.169 -12.153 741 HB3 ASP 88 HB3 ASP 88 -13.516 4.508 -12.645 742 H GLU 89 H GLU 89 -13.859 7.989 -11.150 743 HA GLU 89 HA GLU 89 -13.432 7.768 -8.416 744 HB2 GLU 89 HB2 GLU 89 -16.093 8.313 -9.816 745 HB3 GLU 89 HB3 GLU 89 -15.744 8.678 -8.130 746 HG2 GLU 89 HG2 GLU 89 -14.263 9.926 -10.461 747 HG3 GLU 89 HG3 GLU 89 -15.686 10.638 -9.707 748 H GLU 90 H GLU 90 -15.458 5.867 -10.538 749 HA GLU 90 HA GLU 90 -16.937 4.316 -8.746 750 HB2 GLU 90 HB2 GLU 90 -15.861 3.536 -11.494 751 HB3 GLU 90 HB3 GLU 90 -17.242 2.800 -10.683 752 HG2 GLU 90 HG2 GLU 90 -18.664 4.551 -11.176 753 HG3 GLU 90 HG3 GLU 90 -17.386 5.762 -11.133 754 H ALA 91 H ALA 91 -13.822 3.572 -10.366 755 HA ALA 91 HA ALA 91 -13.430 1.016 -9.175 756 HB1 ALA 91 HB1 ALA 91 -11.176 1.122 -10.169 757 HB2 ALA 91 HB2 ALA 91 -11.393 2.842 -10.510 758 HB3 ALA 91 HB3 ALA 91 -12.402 1.647 -11.328 759 H LEU 92 H LEU 92 -12.328 4.262 -8.378 760 HA LEU 92 HA LEU 92 -10.492 3.697 -6.329 761 HB2 LEU 92 HB2 LEU 92 -12.306 6.085 -6.814 762 HB3 LEU 92 HB3 LEU 92 -11.076 6.067 -5.563 763 HG LEU 92 HG LEU 92 -10.442 5.736 -8.521 764 HD11 LEU 92 HD11 LEU 92 -11.455 7.930 -8.159 765 HD12 LEU 92 HD12 LEU 92 -9.738 8.079 -8.516 766 HD13 LEU 92 HD13 LEU 92 -10.311 8.265 -6.856 767 HD21 LEU 92 HD21 LEU 92 -8.639 6.365 -6.156 768 HD22 LEU 92 HD22 LEU 92 -8.141 6.264 -7.849 769 HD23 LEU 92 HD23 LEU 92 -8.726 4.827 -7.019 770 H ARG 93 H ARG 93 -13.999 4.453 -6.156 771 HA ARG 93 HA ARG 93 -14.077 4.490 -3.311 772 HB2 ARG 93 HB2 ARG 93 -16.333 4.443 -5.340 773 HB3 ARG 93 HB3 ARG 93 -16.587 4.606 -3.603 774 HG2 ARG 93 HG2 ARG 93 -15.156 6.681 -3.662 775 HG3 ARG 93 HG3 ARG 93 -15.127 6.547 -5.421 776 HD2 ARG 93 HD2 ARG 93 -16.838 8.132 -4.834 777 HD3 ARG 93 HD3 ARG 93 -17.650 6.662 -5.388 778 HE ARG 93 HE ARG 93 -17.331 6.542 -2.591 779 HH11 ARG 93 HH11 ARG 93 -19.276 8.280 -4.954 780 HH12 ARG 93 HH12 ARG 93 -20.575 8.562 -3.840 781 HH21 ARG 93 HH21 ARG 93 -19.001 7.013 -1.135 782 HH22 ARG 93 HH22 ARG 93 -20.420 7.849 -1.693 783 H LYS 94 H LYS 94 -14.597 1.836 -5.608 784 HA LYS 94 HA LYS 94 -16.156 0.161 -3.907 785 HB2 LYS 94 HB2 LYS 94 -14.198 -0.792 -6.040 786 HB3 LYS 94 HB3 LYS 94 -15.538 -1.715 -5.364 787 HG2 LYS 94 HG2 LYS 94 -15.690 0.705 -7.159 788 HG3 LYS 94 HG3 LYS 94 -16.137 -0.948 -7.563 789 HD2 LYS 94 HD2 LYS 94 -18.045 -0.833 -6.004 790 HD3 LYS 94 HD3 LYS 94 -17.557 0.790 -5.499 791 HE2 LYS 94 HE2 LYS 94 -17.929 1.602 -7.820 792 HE3 LYS 94 HE3 LYS 94 -18.472 -0.013 -8.283 793 HZ1 LYS 94 HZ1 LYS 94 -20.258 0.190 -6.647 794 HZ2 LYS 94 HZ2 LYS 94 -20.342 1.401 -7.820 795 HZ3 LYS 94 HZ3 LYS 94 -19.751 1.757 -6.278 796 H GLY 95 H GLY 95 -12.656 0.193 -4.566 797 HA2 GLY 95 HA2 GLY 95 -11.939 -1.681 -2.526 798 HA3 GLY 95 HA3 GLY 95 -10.854 -0.640 -3.425 799 H TYR 96 H TYR 96 -12.233 1.822 -2.712 800 HA TYR 96 HA TYR 96 -10.795 2.569 -0.426 801 HB2 TYR 96 HB2 TYR 96 -11.384 4.282 -2.005 802 HB3 TYR 96 HB3 TYR 96 -13.094 3.907 -1.885 803 HD1 TYR 96 HD2 TYR 96 -10.235 5.295 0.142 804 HD2 TYR 96 HD1 TYR 96 -14.469 5.169 -0.411 805 HE1 TYR 96 HE2 TYR 96 -10.509 7.068 1.806 806 HE2 TYR 96 HE1 TYR 96 -14.729 6.938 1.260 807 HH TYR 96 HH TYR 96 -12.156 8.800 2.423 808 H GLU 97 H GLU 97 -14.318 2.143 -0.804 809 HA GLU 97 HA GLU 97 -14.992 2.438 1.901 810 HB2 GLU 97 HB2 GLU 97 -16.421 0.976 -0.354 811 HB3 GLU 97 HB3 GLU 97 -17.127 1.224 1.240 812 HG2 GLU 97 HG2 GLU 97 -16.256 3.477 -0.595 813 HG3 GLU 97 HG3 GLU 97 -17.900 2.845 -0.511 814 H ASP 98 H ASP 98 -14.324 -0.499 -0.032 815 HA ASP 98 HA ASP 98 -15.095 -2.419 1.851 816 HB2 ASP 98 HB2 ASP 98 -14.704 -2.969 -0.519 817 HB3 ASP 98 HB3 ASP 98 -12.982 -2.654 -0.332 818 H LYS 99 H LYS 99 -11.820 -1.102 1.256 819 HA LYS 99 HA LYS 99 -10.628 -2.640 3.392 820 HB2 LYS 99 HB2 LYS 99 -9.565 -0.512 1.506 821 HB3 LYS 99 HB3 LYS 99 -8.603 -1.057 2.873 822 HG2 LYS 99 HG2 LYS 99 -7.907 -2.266 0.895 823 HG3 LYS 99 HG3 LYS 99 -8.691 -3.381 2.014 824 HD2 LYS 99 HD2 LYS 99 -10.775 -3.242 0.642 825 HD3 LYS 99 HD3 LYS 99 -9.938 -2.177 -0.490 826 HE2 LYS 99 HE2 LYS 99 -8.388 -3.972 -1.073 827 HE3 LYS 99 HE3 LYS 99 -9.114 -5.030 0.141 828 HZ1 LYS 99 HZ1 LYS 99 -10.408 -3.974 -2.311 829 HZ2 LYS 99 HZ2 LYS 99 -11.226 -4.831 -1.101 830 HZ3 LYS 99 HZ3 LYS 99 -9.995 -5.582 -1.984 831 H LYS 100 H LYS 100 -11.940 0.615 3.064 832 HA LYS 100 HA LYS 100 -10.905 1.761 5.449 833 HB2 LYS 100 HB2 LYS 100 -11.926 3.054 3.573 834 HB3 LYS 100 HB3 LYS 100 -13.506 2.407 4.000 835 HG2 LYS 100 HG2 LYS 100 -13.337 3.555 6.211 836 HG3 LYS 100 HG3 LYS 100 -11.791 4.248 5.698 837 HD2 LYS 100 HD2 LYS 100 -12.931 5.393 3.811 838 HD3 LYS 100 HD3 LYS 100 -14.471 4.700 4.321 839 HE2 LYS 100 HE2 LYS 100 -14.301 5.921 6.466 840 HE3 LYS 100 HE3 LYS 100 -12.762 6.615 5.945 841 HZ1 LYS 100 HZ1 LYS 100 -14.521 8.178 5.589 842 HZ2 LYS 100 HZ2 LYS 100 -15.416 7.060 4.695 843 HZ3 LYS 100 HZ3 LYS 100 -13.957 7.655 4.084 844 H LYS 101 H LYS 101 -13.722 -0.220 4.763 845 HA LYS 101 HA LYS 101 -14.990 -0.001 7.334 846 HB2 LYS 101 HB2 LYS 101 -15.389 -1.893 4.983 847 HB3 LYS 101 HB3 LYS 101 -16.382 -1.951 6.440 848 HG2 LYS 101 HG2 LYS 101 -17.285 0.241 6.020 849 HG3 LYS 101 HG3 LYS 101 -16.118 0.543 4.731 850 HD2 LYS 101 HD2 LYS 101 -18.312 0.031 3.777 851 HD3 LYS 101 HD3 LYS 101 -17.156 -1.236 3.363 852 HE2 LYS 101 HE2 LYS 101 -18.099 -2.662 5.156 853 HE3 LYS 101 HE3 LYS 101 -19.255 -1.386 5.551 854 HZ1 LYS 101 HZ1 LYS 101 -20.150 -1.584 3.302 855 HZ2 LYS 101 HZ2 LYS 101 -20.271 -3.039 4.153 856 HZ3 LYS 101 HZ3 LYS 101 -19.077 -2.849 2.973 857 H LYS 102 H LYS 102 -12.314 -1.811 6.182 858 HA LYS 102 HA LYS 102 -12.436 -3.817 8.315 859 HB2 LYS 102 HB2 LYS 102 -10.072 -3.231 6.489 860 HB3 LYS 102 HB3 LYS 102 -10.396 -4.705 7.399 861 HG2 LYS 102 HG2 LYS 102 -12.370 -5.135 5.925 862 HG3 LYS 102 HG3 LYS 102 -11.946 -3.688 5.004 863 HD2 LYS 102 HD2 LYS 102 -9.637 -4.835 4.627 864 HD3 LYS 102 HD3 LYS 102 -10.426 -6.306 5.200 865 HE2 LYS 102 HE2 LYS 102 -11.123 -4.670 2.743 866 HE3 LYS 102 HE3 LYS 102 -10.532 -6.328 2.803 867 HZ1 LYS 102 HZ1 LYS 102 -12.622 -6.992 3.832 868 HZ2 LYS 102 HZ2 LYS 102 -12.899 -6.238 2.340 869 HZ3 LYS 102 HZ3 LYS 102 -13.178 -5.397 3.779 870 H GLY 103 H GLY 103 -11.835 -0.603 8.265 871 HA2 GLY 103 HA2 GLY 103 -11.230 0.728 10.048 872 HA3 GLY 103 HA3 GLY 103 -10.451 -0.641 10.827 873 H TYR 104 H TYR 104 -9.854 0.486 7.511 874 HA TYR 104 HA TYR 104 -7.036 1.134 8.240 875 HB2 TYR 104 HB2 TYR 104 -8.079 0.399 5.466 876 HB3 TYR 104 HB3 TYR 104 -6.399 0.554 5.963 877 HD1 TYR 104 HD2 TYR 104 -6.902 -1.098 8.662 878 HD2 TYR 104 HD1 TYR 104 -7.721 -1.817 4.527 879 HE1 TYR 104 HE2 TYR 104 -6.850 -3.511 9.067 880 HE2 TYR 104 HE1 TYR 104 -7.670 -4.226 4.942 881 HH TYR 104 HH TYR 104 -6.747 -5.806 6.584 882 H ASP 105 H ASP 105 -6.109 3.037 7.454 883 HA ASP 105 HA ASP 105 -7.840 5.183 6.533 884 HB2 ASP 105 HB2 ASP 105 -4.805 5.062 6.840 885 HB3 ASP 105 HB3 ASP 105 -5.699 6.510 6.383 886 H VAL 106 H VAL 106 -8.593 4.918 4.451 887 HA VAL 106 HA VAL 106 -6.676 4.038 2.380 888 HB VAL 106 HB VAL 106 -9.718 4.094 2.119 889 HG11 VAL 106 HG11 VAL 106 -8.546 4.179 -0.046 890 HG12 VAL 106 HG12 VAL 106 -9.306 2.600 0.162 891 HG13 VAL 106 HG13 VAL 106 -7.568 2.779 0.402 892 HG21 VAL 106 HG21 VAL 106 -9.079 2.503 3.887 893 HG22 VAL 106 HG22 VAL 106 -7.929 1.731 2.795 894 HG23 VAL 106 HG23 VAL 106 -9.660 1.643 2.456 895 H TYR 107 H TYR 107 -6.192 5.344 0.703 896 HA TYR 107 HA TYR 107 -7.484 7.983 0.436 897 HB2 TYR 107 HB2 TYR 107 -4.606 7.127 -0.130 898 HB3 TYR 107 HB3 TYR 107 -5.268 8.695 -0.580 899 HD1 TYR 107 HD1 TYR 107 -6.088 10.253 1.249 900 HD2 TYR 107 HD2 TYR 107 -3.776 6.763 2.118 901 HE1 TYR 107 HE1 TYR 107 -5.507 11.188 3.433 902 HE2 TYR 107 HE2 TYR 107 -3.193 7.702 4.315 903 HH TYR 107 HH TYR 107 -4.728 10.557 5.559 904 H THR 108 H THR 108 -8.152 8.592 -1.552 905 HA THR 108 HA THR 108 -7.831 6.763 -3.859 906 HB THR 108 HB THR 108 -9.810 8.007 -4.805 907 HG1 THR 108 HG1 THR 108 -10.999 9.287 -3.153 908 HG21 THR 108 HG21 THR 108 -11.539 7.054 -3.319 909 HG22 THR 108 HG22 THR 108 -10.335 6.822 -2.048 910 HG23 THR 108 HG23 THR 108 -10.218 5.909 -3.555 911 H SER 109 H SER 109 -6.621 7.506 -5.551 912 HA SER 109 HA SER 109 -5.843 10.365 -5.634 913 HB2 SER 109 HB2 SER 109 -3.571 9.541 -6.429 914 HB3 SER 109 HB3 SER 109 -3.937 9.200 -4.747 915 HG SER 109 HG SER 109 -4.449 7.085 -5.357 916 H ARG 110 H ARG 110 -6.007 11.310 -7.556 917 HA ARG 110 HA ARG 110 -7.338 9.872 -9.699 918 HB2 ARG 110 HB2 ARG 110 -6.584 12.821 -9.526 919 HB3 ARG 110 HB3 ARG 110 -7.665 12.094 -10.711 920 HG2 ARG 110 HG2 ARG 110 -8.140 12.381 -7.733 921 HG3 ARG 110 HG3 ARG 110 -9.003 13.200 -9.037 922 HD2 ARG 110 HD2 ARG 110 -9.994 11.083 -9.758 923 HD3 ARG 110 HD3 ARG 110 -9.037 10.191 -8.575 924 HE ARG 110 HE ARG 110 -11.478 11.596 -8.138 925 HH11 ARG 110 HH11 ARG 110 -8.559 10.573 -6.458 926 HH12 ARG 110 HH12 ARG 110 -9.326 10.575 -4.904 927 HH21 ARG 110 HH21 ARG 110 -12.473 11.477 -6.134 928 HH22 ARG 110 HH22 ARG 110 -11.542 11.085 -4.721 929 H ASN 111 H ASN 111 -4.133 10.793 -8.961 930 HA ASN 111 HA ASN 111 -3.115 9.664 -11.407 931 HB2 ASN 111 HB2 ASN 111 -1.883 11.604 -12.211 932 HB3 ASN 111 HB3 ASN 111 -3.579 12.030 -12.106 933 HD21 ASN 111 HD21 ASN 111 -4.229 13.573 -10.543 934 HD22 ASN 111 HD22 ASN 111 -3.078 14.576 -9.733 935 H GLU 112 H GLU 112 -0.546 10.230 -11.362 936 HA GLU 112 HA GLU 112 0.428 8.660 -9.227 937 HB2 GLU 112 HB2 GLU 112 1.416 8.503 -11.426 938 HB3 GLU 112 HB3 GLU 112 1.822 10.210 -11.424 939 HG2 GLU 112 HG2 GLU 112 3.091 8.773 -9.182 940 HG3 GLU 112 HG3 GLU 112 3.530 8.090 -10.744 941 H ASP 113 H ASP 113 0.572 12.184 -9.828 942 HA ASP 113 HA ASP 113 2.396 12.822 -7.735 943 HB2 ASP 113 HB2 ASP 113 0.276 14.648 -8.945 944 HB3 ASP 113 HB3 ASP 113 1.659 15.169 -7.979 945 H GLU 114 H GLU 114 -1.108 12.605 -7.862 946 HA GLU 114 HA GLU 114 -1.706 13.413 -5.207 947 HB2 GLU 114 HB2 GLU 114 -3.202 11.564 -7.109 948 HB3 GLU 114 HB3 GLU 114 -3.866 12.139 -5.582 949 HG2 GLU 114 HG2 GLU 114 -2.958 13.963 -7.809 950 HG3 GLU 114 HG3 GLU 114 -4.616 13.389 -7.641 951 H ALA 115 H ALA 115 -1.029 10.250 -6.660 952 HA ALA 115 HA ALA 115 -1.356 8.648 -4.336 953 HB1 ALA 115 HB1 ALA 115 0.331 8.164 -6.815 954 HB2 ALA 115 HB2 ALA 115 -1.373 7.747 -6.631 955 HB3 ALA 115 HB3 ALA 115 -0.162 6.938 -5.638 956 H LYS 116 H LYS 116 1.259 10.508 -5.644 957 HA LYS 116 HA LYS 116 3.463 9.424 -4.233 958 HB2 LYS 116 HB2 LYS 116 3.689 10.580 -6.356 959 HB3 LYS 116 HB3 LYS 116 2.995 12.051 -5.696 960 HG2 LYS 116 HG2 LYS 116 4.986 12.434 -4.341 961 HG3 LYS 116 HG3 LYS 116 5.668 10.885 -4.849 962 HD2 LYS 116 HD2 LYS 116 5.043 13.220 -6.710 963 HD3 LYS 116 HD3 LYS 116 6.648 12.800 -6.114 964 HE2 LYS 116 HE2 LYS 116 6.560 10.653 -7.285 965 HE3 LYS 116 HE3 LYS 116 4.913 10.983 -7.829 966 HZ1 LYS 116 HZ1 LYS 116 5.759 12.845 -9.115 967 HZ2 LYS 116 HZ2 LYS 116 6.512 11.402 -9.565 968 HZ3 LYS 116 HZ3 LYS 116 7.339 12.522 -8.600 969 H LYS 117 H LYS 117 1.400 12.321 -3.712 970 HA LYS 117 HA LYS 117 2.863 13.209 -1.406 971 HB2 LYS 117 HB2 LYS 117 1.026 14.808 -1.051 972 HB3 LYS 117 HB3 LYS 117 1.558 14.802 -2.725 973 HG2 LYS 117 HG2 LYS 117 -0.428 13.342 -3.276 974 HG3 LYS 117 HG3 LYS 117 -0.982 13.564 -1.615 975 HD2 LYS 117 HD2 LYS 117 -2.158 15.113 -3.097 976 HD3 LYS 117 HD3 LYS 117 -1.111 16.024 -2.007 977 HE2 LYS 117 HE2 LYS 117 0.550 16.291 -3.802 978 HE3 LYS 117 HE3 LYS 117 -0.434 15.305 -4.885 979 HZ1 LYS 117 HZ1 LYS 117 -2.142 16.972 -4.855 980 HZ2 LYS 117 HZ2 LYS 117 -0.670 17.702 -5.267 981 HZ3 LYS 117 HZ3 LYS 117 -1.300 17.892 -3.711 982 H LYS 118 H LYS 118 -0.089 11.285 -1.882 983 HA LYS 118 HA LYS 118 -0.838 11.115 0.865 984 HB2 LYS 118 HB2 LYS 118 -1.661 9.408 -1.526 985 HB3 LYS 118 HB3 LYS 118 -2.416 9.312 0.064 986 HG2 LYS 118 HG2 LYS 118 -2.386 11.755 -1.740 987 HG3 LYS 118 HG3 LYS 118 -3.759 10.674 -1.486 988 HD2 LYS 118 HD2 LYS 118 -3.947 11.355 0.835 989 HD3 LYS 118 HD3 LYS 118 -2.437 12.254 0.753 990 HE2 LYS 118 HE2 LYS 118 -3.477 13.849 -0.822 991 HE3 LYS 118 HE3 LYS 118 -5.001 12.956 -0.717 992 HZ1 LYS 118 HZ1 LYS 118 -4.873 14.928 0.760 993 HZ2 LYS 118 HZ2 LYS 118 -3.624 14.173 1.620 994 HZ3 LYS 118 HZ3 LYS 118 -5.170 13.485 1.591 995 H LEU 119 H LEU 119 1.282 9.259 -1.171 996 HA LEU 119 HA LEU 119 1.537 6.931 0.438 997 HB2 LEU 119 HB2 LEU 119 2.170 7.007 -1.938 998 HB3 LEU 119 HB3 LEU 119 3.450 8.152 -1.579 999 HG LEU 119 HG LEU 119 4.772 6.471 -0.449 1000 HD11 LEU 119 HD11 LEU 119 3.057 5.292 0.798 1001 HD12 LEU 119 HD12 LEU 119 4.003 4.138 -0.139 1002 HD13 LEU 119 HD13 LEU 119 2.394 4.611 -0.689 1003 HD21 LEU 119 HD21 LEU 119 5.088 4.795 -2.241 1004 HD22 LEU 119 HD22 LEU 119 4.945 6.432 -2.872 1005 HD23 LEU 119 HD23 LEU 119 3.576 5.322 -2.989 1006 H LYS 120 H LYS 120 3.381 9.949 0.228 1007 HA LYS 120 HA LYS 120 5.195 9.253 2.340 1008 HB2 LYS 120 HB2 LYS 120 4.619 11.876 0.925 1009 HB3 LYS 120 HB3 LYS 120 5.869 11.692 2.160 1010 HG2 LYS 120 HG2 LYS 120 6.984 9.965 0.804 1011 HG3 LYS 120 HG3 LYS 120 5.737 10.111 -0.436 1012 HD2 LYS 120 HD2 LYS 120 7.611 12.353 0.406 1013 HD3 LYS 120 HD3 LYS 120 7.873 11.300 -0.985 1014 HE2 LYS 120 HE2 LYS 120 5.747 12.118 -1.984 1015 HE3 LYS 120 HE3 LYS 120 5.528 13.199 -0.604 1016 HZ1 LYS 120 HZ1 LYS 120 7.836 13.271 -2.475 1017 HZ2 LYS 120 HZ2 LYS 120 7.549 14.340 -1.197 1018 HZ3 LYS 120 HZ3 LYS 120 6.511 14.317 -2.528 1019 H GLU 121 H GLU 121 2.091 10.914 2.188 1020 HA GLU 121 HA GLU 121 1.920 11.742 4.897 1021 HB2 GLU 121 HB2 GLU 121 -0.240 11.000 2.878 1022 HB3 GLU 121 HB3 GLU 121 -0.614 11.609 4.491 1023 HG2 GLU 121 HG2 GLU 121 0.500 13.711 4.023 1024 HG3 GLU 121 HG3 GLU 121 1.069 13.109 2.467 1025 H ALA 122 H ALA 122 1.386 8.646 3.329 1026 HA ALA 122 HA ALA 122 0.321 7.254 5.603 1027 HB1 ALA 122 HB1 ALA 122 -0.042 6.488 3.287 1028 HB2 ALA 122 HB2 ALA 122 0.727 5.234 4.262 1029 HB3 ALA 122 HB3 ALA 122 1.687 6.171 3.113 1030 H LEU 123 H LEU 123 3.574 7.890 4.350 1031 HA LEU 123 HA LEU 123 4.978 6.236 6.249 1032 HB2 LEU 123 HB2 LEU 123 6.051 8.541 4.583 1033 HB3 LEU 123 HB3 LEU 123 7.017 7.364 5.441 1034 HG LEU 123 HG LEU 123 5.185 6.720 3.095 1035 HD11 LEU 123 HD11 LEU 123 8.210 6.889 3.157 1036 HD12 LEU 123 HD12 LEU 123 7.117 8.028 2.365 1037 HD13 LEU 123 HD13 LEU 123 7.222 6.366 1.789 1038 HD21 LEU 123 HD21 LEU 123 7.125 4.934 4.599 1039 HD22 LEU 123 HD22 LEU 123 6.249 4.492 3.132 1040 HD23 LEU 123 HD23 LEU 123 5.363 4.821 4.617 1041 H GLU 124 H GLU 124 3.789 9.535 6.204 1042 HA GLU 124 HA GLU 124 5.036 10.502 8.572 1043 HB2 GLU 124 HB2 GLU 124 2.404 11.249 7.226 1044 HB3 GLU 124 HB3 GLU 124 3.048 12.114 8.622 1045 HG2 GLU 124 HG2 GLU 124 5.022 12.784 7.341 1046 HG3 GLU 124 HG3 GLU 124 4.476 11.821 5.969 1047 H LYS 125 H LYS 125 2.255 8.434 7.984 1048 HA LYS 125 HA LYS 125 1.184 8.453 10.648 1049 HB2 LYS 125 HB2 LYS 125 0.777 6.553 8.300 1050 HB3 LYS 125 HB3 LYS 125 -0.082 6.386 9.833 1051 HG2 LYS 125 HG2 LYS 125 -1.101 8.590 9.540 1052 HG3 LYS 125 HG3 LYS 125 -0.211 8.821 8.030 1053 HD2 LYS 125 HD2 LYS 125 -1.438 7.036 6.948 1054 HD3 LYS 125 HD3 LYS 125 -2.184 6.546 8.474 1055 HE2 LYS 125 HE2 LYS 125 -2.645 9.223 7.112 1056 HE3 LYS 125 HE3 LYS 125 -3.725 7.830 6.998 1057 HZ1 LYS 125 HZ1 LYS 125 -4.502 9.353 8.670 1058 HZ2 LYS 125 HZ2 LYS 125 -3.024 9.292 9.488 1059 HZ3 LYS 125 HZ3 LYS 125 -4.005 7.917 9.414 1060 H SER 126 H SER 126 3.594 6.530 8.963 1061 HA SER 126 HA SER 126 3.827 4.523 11.040 1062 HB2 SER 126 HB2 SER 126 5.731 3.706 9.622 1063 HB3 SER 126 HB3 SER 126 4.224 3.893 8.728 1064 HG SER 126 HG SER 126 6.447 4.849 7.997 1065 H GLY 127 H GLY 127 4.960 7.684 10.655 1066 HA2 GLY 127 HA2 GLY 127 6.288 8.952 12.053 1067 HA3 GLY 127 HA3 GLY 127 6.794 7.497 12.897 1068 H SER 128 H SER 128 7.177 6.947 9.603 1069 HA SER 128 HA SER 128 10.047 7.235 9.737 1070 HB2 SER 128 HB2 SER 128 9.994 6.335 7.373 1071 HB3 SER 128 HB3 SER 128 9.178 5.306 8.535 1072 HG SER 128 HG SER 128 7.668 7.199 7.173 1073 H LEU 129 H LEU 129 10.147 9.460 10.124 1074 HA LEU 129 HA LEU 129 9.956 11.192 7.730 1075 HB2 LEU 129 HB2 LEU 129 8.986 11.757 10.554 1076 HB3 LEU 129 HB3 LEU 129 9.451 13.074 9.491 1077 HG LEU 129 HG LEU 129 7.231 11.072 8.915 1078 HD11 LEU 129 HD11 LEU 129 7.053 13.987 9.734 1079 HD12 LEU 129 HD12 LEU 129 6.617 12.593 10.728 1080 HD13 LEU 129 HD13 LEU 129 5.699 12.953 9.269 1081 HD21 LEU 129 HD21 LEU 129 6.704 12.553 7.005 1082 HD22 LEU 129 HD22 LEU 129 8.294 11.822 6.846 1083 HD23 LEU 129 HD23 LEU 129 8.146 13.511 7.343 1084 H GLU 130 H GLU 130 11.070 11.309 11.101 1085 HA GLU 130 HA GLU 130 13.853 11.744 10.390 1086 HB2 GLU 130 HB2 GLU 130 13.965 13.940 11.588 1087 HB3 GLU 130 HB3 GLU 130 12.952 14.016 10.151 1088 HG2 GLU 130 HG2 GLU 130 10.933 13.749 11.663 1089 HG3 GLU 130 HG3 GLU 130 12.019 13.915 13.041 1090 H HIS 131 H HIS 131 15.132 10.934 11.979 1091 HA HIS 131 HA HIS 131 14.403 10.969 14.771 1092 HB2 HIS 131 HB2 HIS 131 13.285 8.846 13.849 1093 HB3 HIS 131 HB3 HIS 131 14.892 8.222 13.492 1094 HD2 HIS 131 HD2 HIS 131 15.838 6.675 15.506 1095 HE1 HIS 131 HE1 HIS 131 13.655 8.469 18.656 1096 HE2 HIS 131 HE2 HIS 131 15.145 6.536 17.998 1097 H HIS 132 H HIS 132 16.326 12.159 13.104 1098 HA HIS 132 HA HIS 132 18.883 10.806 13.320 1099 HB2 HIS 132 HB2 HIS 132 18.340 13.672 12.422 1100 HB3 HIS 132 HB3 HIS 132 19.756 12.687 12.059 1101 HD2 HIS 132 HD2 HIS 132 19.376 10.737 10.043 1102 HE1 HIS 132 HE1 HIS 132 15.586 12.232 8.885 1103 HE2 HIS 132 HE2 HIS 132 17.564 10.810 8.191 1104 H HIS 133 H HIS 133 18.723 10.617 15.651 1105 HA HIS 133 HA HIS 133 18.770 12.945 17.359 1106 HB2 HIS 133 HB2 HIS 133 19.156 11.192 19.197 1107 HB3 HIS 133 HB3 HIS 133 17.653 11.064 18.302 1108 HD1 HIS 133 HD1 HIS 133 17.248 8.920 16.953 1109 HD2 HIS 133 HD2 HIS 133 21.011 9.042 18.716 1110 HE1 HIS 133 HE1 HIS 133 18.157 6.585 16.781 1111 HE2 HIS 133 HE2 HIS 133 20.366 6.655 17.985 1112 H HIS 134 H HIS 134 20.558 14.017 16.418 1113 HA HIS 134 HA HIS 134 23.173 12.979 16.146 1114 HB2 HIS 134 HB2 HIS 134 22.297 15.012 14.974 1115 HB3 HIS 134 HB3 HIS 134 22.329 15.893 16.498 1116 HD1 HIS 134 HD1 HIS 134 24.419 17.183 16.915 1117 HD2 HIS 134 HD2 HIS 134 25.028 14.099 14.199 1118 HE1 HIS 134 HE1 HIS 134 26.782 17.449 16.108 1119 HE2 HIS 134 HE2 HIS 134 27.013 15.732 14.289 1120 H HIS 135 H HIS 135 21.577 14.708 18.751 1121 HA HIS 135 HA HIS 135 23.334 13.436 20.699 1122 HB2 HIS 135 HB2 HIS 135 24.429 15.621 20.455 1123 HB3 HIS 135 HB3 HIS 135 22.892 16.465 20.624 1124 HD1 HIS 135 HD1 HIS 135 22.025 16.877 22.996 1125 HD2 HIS 135 HD2 HIS 135 25.448 14.515 22.910 1126 HE1 HIS 135 HE1 HIS 135 22.783 16.689 25.374 1127 HE2 HIS 135 HE2 HIS 135 24.924 15.377 25.281 1128 H HIS 136 H HIS 136 20.664 15.725 20.195 1129 HA HIS 136 HA HIS 136 18.608 16.012 21.066 1130 HB2 HIS 136 HB2 HIS 136 18.246 13.765 20.041 1131 HB3 HIS 136 HB3 HIS 136 18.749 13.002 21.542 1132 HD1 HIS 136 HD1 HIS 136 17.076 13.164 23.566 1133 HD2 HIS 136 HD2 HIS 136 15.579 14.592 19.970 1134 HE1 HIS 136 HE1 HIS 136 14.594 13.310 23.885 1135 HE2 HIS 136 HE2 HIS 136 13.711 13.964 21.624 Start of MODEL 5 1 H1 MET 1 H1 MET 1 5.824 1.372 15.991 2 H2 MET 1 H2 MET 1 4.793 1.568 14.665 3 H3 MET 1 H3 MET 1 6.464 1.657 14.453 4 HA MET 1 HA MET 1 6.733 -0.635 15.012 5 HB2 MET 1 HB2 MET 1 3.687 -0.608 15.279 6 HB3 MET 1 HB3 MET 1 4.671 -2.069 15.269 7 HG2 MET 1 HG2 MET 1 5.825 -1.303 17.296 8 HG3 MET 1 HG3 MET 1 4.820 0.146 17.316 9 HE1 MET 1 HE1 MET 1 3.891 -3.676 16.562 10 HE2 MET 1 HE2 MET 1 3.272 -4.139 18.147 11 HE3 MET 1 HE3 MET 1 4.977 -3.734 17.953 12 H GLY 2 H GLY 2 5.659 -2.528 13.487 13 HA2 GLY 2 HA2 GLY 2 6.073 -1.828 10.785 14 HA3 GLY 2 HA3 GLY 2 5.296 -3.295 11.360 15 H VAL 3 H VAL 3 4.795 -0.700 9.440 16 HA VAL 3 HA VAL 3 1.826 -0.826 9.703 17 HB VAL 3 HB VAL 3 3.584 1.564 8.889 18 HG11 VAL 3 HG11 VAL 3 0.549 1.358 8.825 19 HG12 VAL 3 HG12 VAL 3 1.622 1.510 7.432 20 HG13 VAL 3 HG13 VAL 3 1.483 2.839 8.583 21 HG21 VAL 3 HG21 VAL 3 3.429 1.230 11.323 22 HG22 VAL 3 HG22 VAL 3 1.665 1.228 11.232 23 HG23 VAL 3 HG23 VAL 3 2.569 2.696 10.839 24 H VAL 4 H VAL 4 0.959 -1.823 7.955 25 HA VAL 4 HA VAL 4 2.652 -2.299 5.594 26 HB VAL 4 HB VAL 4 0.036 -3.669 6.417 27 HG11 VAL 4 HG11 VAL 4 0.653 -5.389 4.742 28 HG12 VAL 4 HG12 VAL 4 2.032 -4.407 4.239 29 HG13 VAL 4 HG13 VAL 4 0.388 -3.809 4.000 30 HG21 VAL 4 HG21 VAL 4 1.442 -5.558 7.138 31 HG22 VAL 4 HG22 VAL 4 1.863 -4.096 8.030 32 HG23 VAL 4 HG23 VAL 4 2.904 -4.657 6.718 33 H ILE 5 H ILE 5 2.429 -0.898 4.063 34 HA ILE 5 HA ILE 5 -0.076 0.501 3.437 35 HB ILE 5 HB ILE 5 2.756 0.952 2.322 36 HG12 ILE 5 HG12 ILE 5 1.370 2.532 4.552 37 HG13 ILE 5 HG13 ILE 5 2.613 1.319 4.824 38 HG21 ILE 5 HG21 ILE 5 1.914 3.143 1.572 39 HG22 ILE 5 HG22 ILE 5 0.309 2.761 2.198 40 HG23 ILE 5 HG23 ILE 5 0.977 1.829 0.855 41 HD11 ILE 5 HD11 ILE 5 2.980 3.906 3.322 42 HD12 ILE 5 HD12 ILE 5 4.227 2.690 3.622 43 HD13 ILE 5 HD13 ILE 5 3.499 3.557 4.972 44 H LEU 6 H LEU 6 -1.178 -0.038 1.527 45 HA LEU 6 HA LEU 6 -0.005 -2.022 -0.339 46 HB2 LEU 6 HB2 LEU 6 -2.868 -1.889 0.719 47 HB3 LEU 6 HB3 LEU 6 -2.288 -3.051 -0.458 48 HG LEU 6 HG LEU 6 -1.307 -2.870 2.415 49 HD11 LEU 6 HD11 LEU 6 -2.625 -4.898 2.832 50 HD12 LEU 6 HD12 LEU 6 -3.303 -4.807 1.203 51 HD13 LEU 6 HD13 LEU 6 -3.648 -3.536 2.382 52 HD21 LEU 6 HD21 LEU 6 -0.274 -5.020 1.985 53 HD22 LEU 6 HD22 LEU 6 0.333 -3.808 0.868 54 HD23 LEU 6 HD23 LEU 6 -0.851 -4.999 0.317 55 H VAL 7 H VAL 7 0.379 -0.667 -2.031 56 HA VAL 7 HA VAL 7 -1.613 1.338 -2.817 57 HB VAL 7 HB VAL 7 1.247 1.028 -3.901 58 HG11 VAL 7 HG11 VAL 7 0.940 3.362 -4.653 59 HG12 VAL 7 HG12 VAL 7 -0.715 3.355 -4.041 60 HG13 VAL 7 HG13 VAL 7 -0.261 2.289 -5.373 61 HG21 VAL 7 HG21 VAL 7 1.906 2.866 -2.389 62 HG22 VAL 7 HG22 VAL 7 1.351 1.462 -1.476 63 HG23 VAL 7 HG23 VAL 7 0.296 2.866 -1.661 64 H LEU 8 H LEU 8 -3.121 0.335 -4.043 65 HA LEU 8 HA LEU 8 -2.454 -1.593 -6.145 66 HB2 LEU 8 HB2 LEU 8 -5.112 -0.436 -5.180 67 HB3 LEU 8 HB3 LEU 8 -4.975 -1.520 -6.555 68 HG LEU 8 HG LEU 8 -4.015 -3.268 -4.957 69 HD11 LEU 8 HD11 LEU 8 -5.018 -1.387 -2.805 70 HD12 LEU 8 HD12 LEU 8 -3.330 -1.790 -3.133 71 HD13 LEU 8 HD13 LEU 8 -4.437 -3.038 -2.573 72 HD21 LEU 8 HD21 LEU 8 -6.329 -3.356 -5.784 73 HD22 LEU 8 HD22 LEU 8 -6.865 -2.346 -4.439 74 HD23 LEU 8 HD23 LEU 8 -6.214 -3.958 -4.134 75 H THR 9 H THR 9 -1.690 -0.716 -7.995 76 HA THR 9 HA THR 9 -2.567 1.998 -8.816 77 HB THR 9 HB THR 9 -0.467 1.996 -10.191 78 HG1 THR 9 HG1 THR 9 0.518 0.153 -10.477 79 HG21 THR 9 HG21 THR 9 1.160 2.218 -8.339 80 HG22 THR 9 HG22 THR 9 0.022 1.434 -7.242 81 HG23 THR 9 HG23 THR 9 -0.369 3.003 -7.948 82 H GLY 10 H GLY 10 -3.581 2.295 -10.717 83 HA2 GLY 10 HA2 GLY 10 -4.752 0.199 -12.202 84 HA3 GLY 10 HA3 GLY 10 -4.689 1.889 -12.687 85 H ASP 11 H ASP 11 -1.915 2.175 -12.738 86 HA ASP 11 HA ASP 11 -0.927 0.297 -14.807 87 HB2 ASP 11 HB2 ASP 11 -1.057 2.455 -15.853 88 HB3 ASP 11 HB3 ASP 11 -0.430 3.283 -14.435 89 H GLU 12 H GLU 12 0.871 -0.818 -14.287 90 HA GLU 12 HA GLU 12 1.787 -0.810 -11.568 91 HB2 GLU 12 HB2 GLU 12 1.477 -2.897 -12.856 92 HB3 GLU 12 HB3 GLU 12 2.766 -2.430 -13.962 93 HG2 GLU 12 HG2 GLU 12 4.379 -2.492 -12.084 94 HG3 GLU 12 HG3 GLU 12 3.091 -2.991 -10.989 95 H ARG 13 H ARG 13 3.036 0.529 -14.585 96 HA ARG 13 HA ARG 13 5.712 0.975 -13.736 97 HB2 ARG 13 HB2 ARG 13 5.020 1.085 -16.091 98 HB3 ARG 13 HB3 ARG 13 4.039 2.506 -15.772 99 HG2 ARG 13 HG2 ARG 13 6.996 2.626 -15.192 100 HG3 ARG 13 HG3 ARG 13 6.461 2.701 -16.867 101 HD2 ARG 13 HD2 ARG 13 5.152 4.700 -16.405 102 HD3 ARG 13 HD3 ARG 13 5.519 4.597 -14.681 103 HE ARG 13 HE ARG 13 7.946 4.721 -15.996 104 HH11 ARG 13 HH11 ARG 13 5.143 6.802 -15.693 105 HH12 ARG 13 HH12 ARG 13 6.055 8.265 -15.885 106 HH21 ARG 13 HH21 ARG 13 9.146 6.616 -16.205 107 HH22 ARG 13 HH22 ARG 13 8.340 8.157 -16.179 108 H ILE 14 H ILE 14 2.726 2.853 -13.266 109 HA ILE 14 HA ILE 14 3.717 5.128 -11.950 110 HB ILE 14 HB ILE 14 1.083 3.612 -11.632 111 HG12 ILE 14 HG12 ILE 14 1.727 6.331 -12.879 112 HG13 ILE 14 HG13 ILE 14 1.407 4.843 -13.762 113 HG21 ILE 14 HG21 ILE 14 1.784 6.189 -10.185 114 HG22 ILE 14 HG22 ILE 14 1.452 4.622 -9.446 115 HG23 ILE 14 HG23 ILE 14 0.167 5.489 -10.285 116 HD11 ILE 14 HD11 ILE 14 -0.518 6.272 -13.823 117 HD12 ILE 14 HD12 ILE 14 -0.556 6.378 -12.065 118 HD13 ILE 14 HD13 ILE 14 -0.890 4.839 -12.866 119 H ALA 15 H ALA 15 2.981 1.889 -10.670 120 HA ALA 15 HA ALA 15 3.436 2.334 -7.932 121 HB1 ALA 15 HB1 ALA 15 3.648 -0.106 -7.759 122 HB2 ALA 15 HB2 ALA 15 3.844 -0.226 -9.510 123 HB3 ALA 15 HB3 ALA 15 2.318 0.336 -8.830 124 H GLU 16 H GLU 16 5.679 1.576 -10.541 125 HA GLU 16 HA GLU 16 8.016 1.202 -8.941 126 HB2 GLU 16 HB2 GLU 16 7.577 1.811 -11.885 127 HB3 GLU 16 HB3 GLU 16 9.186 1.590 -11.196 128 HG2 GLU 16 HG2 GLU 16 6.960 -0.465 -11.116 129 HG3 GLU 16 HG3 GLU 16 8.296 -0.457 -12.269 130 H GLU 17 H GLU 17 6.571 4.033 -10.514 131 HA GLU 17 HA GLU 17 8.670 5.881 -10.009 132 HB2 GLU 17 HB2 GLU 17 5.686 6.359 -10.397 133 HB3 GLU 17 HB3 GLU 17 6.901 7.638 -10.387 134 HG2 GLU 17 HG2 GLU 17 6.635 5.381 -12.386 135 HG3 GLU 17 HG3 GLU 17 6.329 7.093 -12.667 136 H LEU 18 H LEU 18 5.812 4.939 -8.186 137 HA LEU 18 HA LEU 18 6.084 6.745 -6.000 138 HB2 LEU 18 HB2 LEU 18 4.708 4.028 -6.089 139 HB3 LEU 18 HB3 LEU 18 4.446 5.274 -4.875 140 HG LEU 18 HG LEU 18 3.704 5.472 -7.820 141 HD11 LEU 18 HD11 LEU 18 1.383 5.399 -7.048 142 HD12 LEU 18 HD12 LEU 18 1.931 5.173 -5.384 143 HD13 LEU 18 HD13 LEU 18 2.258 3.935 -6.599 144 HD21 LEU 18 HD21 LEU 18 2.591 7.587 -7.251 145 HD22 LEU 18 HD22 LEU 18 4.329 7.678 -6.972 146 HD23 LEU 18 HD23 LEU 18 3.224 7.488 -5.607 147 H ARG 19 H ARG 19 7.254 3.491 -6.678 148 HA ARG 19 HA ARG 19 8.327 2.744 -4.189 149 HB2 ARG 19 HB2 ARG 19 8.005 1.178 -6.109 150 HB3 ARG 19 HB3 ARG 19 9.300 1.984 -6.987 151 HG2 ARG 19 HG2 ARG 19 10.909 1.268 -5.226 152 HG3 ARG 19 HG3 ARG 19 9.590 0.435 -4.395 153 HD2 ARG 19 HD2 ARG 19 10.929 -1.141 -5.731 154 HD3 ARG 19 HD3 ARG 19 9.278 -1.046 -6.343 155 HE ARG 19 HE ARG 19 10.098 -0.311 -8.317 156 HH11 ARG 19 HH11 ARG 19 12.625 0.278 -5.947 157 HH12 ARG 19 HH12 ARG 19 13.781 0.795 -7.129 158 HH21 ARG 19 HH21 ARG 19 11.590 0.383 -9.847 159 HH22 ARG 19 HH22 ARG 19 13.192 0.859 -9.352 160 H LYS 20 H LYS 20 9.761 4.433 -6.939 161 HA LYS 20 HA LYS 20 12.386 4.815 -6.039 162 HB2 LYS 20 HB2 LYS 20 10.616 6.486 -7.883 163 HB3 LYS 20 HB3 LYS 20 12.333 6.807 -7.658 164 HG2 LYS 20 HG2 LYS 20 12.978 4.782 -8.726 165 HG3 LYS 20 HG3 LYS 20 11.361 4.090 -8.578 166 HD2 LYS 20 HD2 LYS 20 11.797 4.743 -10.905 167 HD3 LYS 20 HD3 LYS 20 10.491 5.713 -10.228 168 HE2 LYS 20 HE2 LYS 20 12.234 7.526 -9.792 169 HE3 LYS 20 HE3 LYS 20 13.353 6.560 -10.758 170 HZ1 LYS 20 HZ1 LYS 20 10.739 7.622 -11.711 171 HZ2 LYS 20 HZ2 LYS 20 11.839 6.730 -12.628 172 HZ3 LYS 20 HZ3 LYS 20 12.256 8.269 -12.081 173 H GLU 21 H GLU 21 9.433 6.713 -5.474 174 HA GLU 21 HA GLU 21 10.597 8.954 -4.188 175 HB2 GLU 21 HB2 GLU 21 7.771 7.859 -3.882 176 HB3 GLU 21 HB3 GLU 21 8.307 9.463 -3.375 177 HG2 GLU 21 HG2 GLU 21 8.184 8.391 -6.192 178 HG3 GLU 21 HG3 GLU 21 7.150 9.619 -5.477 179 H VAL 22 H VAL 22 9.170 5.976 -2.892 180 HA VAL 22 HA VAL 22 9.308 6.638 -0.144 181 HB VAL 22 HB VAL 22 9.329 3.845 -1.395 182 HG11 VAL 22 HG11 VAL 22 8.542 4.733 1.411 183 HG12 VAL 22 HG12 VAL 22 9.992 3.822 0.975 184 HG13 VAL 22 HG13 VAL 22 8.400 3.095 0.768 185 HG21 VAL 22 HG21 VAL 22 6.951 5.514 -0.490 186 HG22 VAL 22 HG22 VAL 22 6.888 3.856 -1.098 187 HG23 VAL 22 HG23 VAL 22 7.393 5.167 -2.162 188 H GLN 23 H GLN 23 11.559 4.947 -2.311 189 HA GLN 23 HA GLN 23 13.426 4.144 -0.296 190 HB2 GLN 23 HB2 GLN 23 13.785 4.429 -3.318 191 HB3 GLN 23 HB3 GLN 23 14.939 3.647 -2.238 192 HG2 GLN 23 HG2 GLN 23 13.351 1.915 -1.673 193 HG3 GLN 23 HG3 GLN 23 12.069 2.724 -2.576 194 HE21 GLN 23 HE21 GLN 23 13.170 0.014 -2.890 195 HE22 GLN 23 HE22 GLN 23 13.722 -0.099 -4.525 196 H LYS 24 H LYS 24 13.115 7.018 -2.321 197 HA LYS 24 HA LYS 24 15.621 8.229 -1.544 198 HB2 LYS 24 HB2 LYS 24 13.121 9.367 -2.860 199 HB3 LYS 24 HB3 LYS 24 14.561 10.331 -2.547 200 HG2 LYS 24 HG2 LYS 24 15.880 8.835 -4.026 201 HG3 LYS 24 HG3 LYS 24 14.426 7.889 -4.356 202 HD2 LYS 24 HD2 LYS 24 14.887 10.815 -5.089 203 HD3 LYS 24 HD3 LYS 24 14.850 9.448 -6.203 204 HE2 LYS 24 HE2 LYS 24 12.463 9.068 -5.618 205 HE3 LYS 24 HE3 LYS 24 12.511 10.481 -4.563 206 HZ1 LYS 24 HZ1 LYS 24 13.101 11.815 -6.559 207 HZ2 LYS 24 HZ2 LYS 24 11.566 11.107 -6.658 208 HZ3 LYS 24 HZ3 LYS 24 12.864 10.442 -7.514 209 H HIS 25 H HIS 25 12.334 8.220 -0.307 210 HA HIS 25 HA HIS 25 12.535 10.492 1.443 211 HB2 HIS 25 HB2 HIS 25 10.373 9.676 0.508 212 HB3 HIS 25 HB3 HIS 25 10.531 8.175 1.414 213 HD2 HIS 25 HD2 HIS 25 10.046 8.420 4.213 214 HE1 HIS 25 HE1 HIS 25 8.312 12.259 3.851 215 HE2 HIS 25 HE2 HIS 25 8.461 10.169 5.271 216 H ASP 26 H ASP 26 12.567 6.991 1.914 217 HA ASP 26 HA ASP 26 14.461 7.080 4.069 218 HB2 ASP 26 HB2 ASP 26 12.339 7.467 5.333 219 HB3 ASP 26 HB3 ASP 26 11.647 6.004 4.638 220 HA PRO 27 HA PRO 27 15.075 3.490 1.263 221 HB2 PRO 27 HB2 PRO 27 17.697 2.994 1.912 222 HB3 PRO 27 HB3 PRO 27 17.207 4.360 0.885 223 HG2 PRO 27 HG2 PRO 27 17.815 4.362 3.831 224 HG3 PRO 27 HG3 PRO 27 18.406 5.465 2.568 225 HD2 PRO 27 HD2 PRO 27 16.350 6.148 4.171 226 HD3 PRO 27 HD3 PRO 27 16.387 6.636 2.455 227 H ASN 28 H ASN 28 15.117 3.559 4.695 228 HA ASN 28 HA ASN 28 15.722 0.777 5.175 229 HB2 ASN 28 HB2 ASN 28 14.527 2.910 6.996 230 HB3 ASN 28 HB3 ASN 28 15.000 1.305 7.532 231 HD21 ASN 28 HD21 ASN 28 16.126 4.418 6.506 232 HD22 ASN 28 HD22 ASN 28 17.765 4.221 7.000 233 H VAL 29 H VAL 29 12.860 2.610 4.448 234 HA VAL 29 HA VAL 29 10.874 0.731 5.285 235 HB VAL 29 HB VAL 29 10.710 2.764 2.994 236 HG11 VAL 29 HG11 VAL 29 8.483 1.353 4.519 237 HG12 VAL 29 HG12 VAL 29 8.924 1.094 2.829 238 HG13 VAL 29 HG13 VAL 29 8.250 2.644 3.338 239 HG21 VAL 29 HG21 VAL 29 9.934 3.068 5.911 240 HG22 VAL 29 HG22 VAL 29 9.627 4.255 4.639 241 HG23 VAL 29 HG23 VAL 29 11.286 3.862 5.097 242 H LYS 30 H LYS 30 10.371 -1.227 4.386 243 HA LYS 30 HA LYS 30 11.778 -2.127 2.023 244 HB2 LYS 30 HB2 LYS 30 9.820 -3.492 3.897 245 HB3 LYS 30 HB3 LYS 30 10.466 -4.297 2.467 246 HG2 LYS 30 HG2 LYS 30 12.026 -3.284 4.869 247 HG3 LYS 30 HG3 LYS 30 11.782 -4.957 4.369 248 HD2 LYS 30 HD2 LYS 30 13.326 -2.881 2.763 249 HD3 LYS 30 HD3 LYS 30 14.063 -4.079 3.802 250 HE2 LYS 30 HE2 LYS 30 12.379 -4.717 1.360 251 HE3 LYS 30 HE3 LYS 30 14.141 -4.720 1.400 252 HZ1 LYS 30 HZ1 LYS 30 13.281 -6.936 1.627 253 HZ2 LYS 30 HZ2 LYS 30 12.346 -6.496 2.961 254 HZ3 LYS 30 HZ3 LYS 30 14.037 -6.484 3.070 255 H THR 31 H THR 31 11.136 -1.882 0.075 256 HA THR 31 HA THR 31 8.293 -1.313 -0.592 257 HB THR 31 HB THR 31 9.416 -0.538 -2.840 258 HG1 THR 31 HG1 THR 31 11.679 -0.191 -1.154 259 HG21 THR 31 HG21 THR 31 9.861 1.719 -1.951 260 HG22 THR 31 HG22 THR 31 9.885 1.080 -0.307 261 HG23 THR 31 HG23 THR 31 8.389 1.044 -1.247 262 H VAL 32 H VAL 32 7.202 -2.914 -1.581 263 HA VAL 32 HA VAL 32 8.665 -5.237 -2.693 264 HB VAL 32 HB VAL 32 6.309 -5.379 -0.736 265 HG11 VAL 32 HG11 VAL 32 6.345 -7.270 -2.293 266 HG12 VAL 32 HG12 VAL 32 6.748 -7.799 -0.662 267 HG13 VAL 32 HG13 VAL 32 8.025 -7.621 -1.871 268 HG21 VAL 32 HG21 VAL 32 8.338 -4.621 0.439 269 HG22 VAL 32 HG22 VAL 32 9.233 -6.016 -0.169 270 HG23 VAL 32 HG23 VAL 32 7.882 -6.249 0.943 271 HA PRO 33 HA PRO 33 5.299 -4.226 -5.680 272 HB2 PRO 33 HB2 PRO 33 6.539 -5.066 -7.937 273 HB3 PRO 33 HB3 PRO 33 7.034 -3.565 -7.120 274 HG2 PRO 33 HG2 PRO 33 8.286 -6.288 -6.976 275 HG3 PRO 33 HG3 PRO 33 9.069 -4.705 -7.195 276 HD2 PRO 33 HD2 PRO 33 8.915 -5.973 -4.766 277 HD3 PRO 33 HD3 PRO 33 8.990 -4.204 -4.940 278 H THR 34 H THR 34 4.476 -5.676 -7.672 279 HA THR 34 HA THR 34 3.226 -8.006 -6.603 280 HB THR 34 HB THR 34 2.213 -8.306 -8.802 281 HG1 THR 34 HG1 THR 34 3.317 -6.331 -10.220 282 HG21 THR 34 HG21 THR 34 1.266 -6.073 -9.242 283 HG22 THR 34 HG22 THR 34 2.500 -5.339 -8.216 284 HG23 THR 34 HG23 THR 34 1.296 -6.428 -7.518 285 H LYS 35 H LYS 35 6.313 -7.619 -7.841 286 HA LYS 35 HA LYS 35 6.761 -10.118 -9.155 287 HB2 LYS 35 HB2 LYS 35 8.796 -8.273 -7.803 288 HB3 LYS 35 HB3 LYS 35 9.128 -9.470 -9.062 289 HG2 LYS 35 HG2 LYS 35 7.799 -8.157 -10.678 290 HG3 LYS 35 HG3 LYS 35 7.415 -6.983 -9.415 291 HD2 LYS 35 HD2 LYS 35 9.870 -6.469 -9.218 292 HD3 LYS 35 HD3 LYS 35 10.170 -7.552 -10.584 293 HE2 LYS 35 HE2 LYS 35 8.517 -4.999 -10.622 294 HE3 LYS 35 HE3 LYS 35 10.098 -5.245 -11.363 295 HZ1 LYS 35 HZ1 LYS 35 7.564 -6.578 -12.153 296 HZ2 LYS 35 HZ2 LYS 35 9.076 -6.912 -12.824 297 HZ3 LYS 35 HZ3 LYS 35 8.385 -5.383 -13.021 298 H ASP 36 H ASP 36 7.149 -8.845 -5.883 299 HA ASP 36 HA ASP 36 7.760 -11.520 -4.768 300 HB2 ASP 36 HB2 ASP 36 7.924 -8.832 -3.316 301 HB3 ASP 36 HB3 ASP 36 8.615 -10.365 -2.801 302 H LYS 37 H LYS 37 5.145 -10.801 -5.741 303 HA LYS 37 HA LYS 37 3.265 -9.701 -4.021 304 HB2 LYS 37 HB2 LYS 37 2.954 -10.336 -6.434 305 HB3 LYS 37 HB3 LYS 37 2.851 -12.021 -5.954 306 HG2 LYS 37 HG2 LYS 37 0.835 -11.269 -4.511 307 HG3 LYS 37 HG3 LYS 37 0.876 -9.787 -5.464 308 HD2 LYS 37 HD2 LYS 37 0.357 -12.622 -6.432 309 HD3 LYS 37 HD3 LYS 37 -0.757 -11.262 -6.449 310 HE2 LYS 37 HE2 LYS 37 -0.120 -11.473 -8.694 311 HE3 LYS 37 HE3 LYS 37 0.936 -10.186 -8.116 312 HZ1 LYS 37 HZ1 LYS 37 2.774 -11.599 -8.121 313 HZ2 LYS 37 HZ2 LYS 37 1.931 -12.088 -9.504 314 HZ3 LYS 37 HZ3 LYS 37 1.837 -13.006 -8.089 315 H GLU 38 H GLU 38 4.299 -13.029 -4.298 316 HA GLU 38 HA GLU 38 2.502 -14.161 -2.375 317 HB2 GLU 38 HB2 GLU 38 5.093 -15.269 -3.570 318 HB3 GLU 38 HB3 GLU 38 3.917 -16.201 -2.650 319 HG2 GLU 38 HG2 GLU 38 3.628 -16.713 -4.964 320 HG3 GLU 38 HG3 GLU 38 2.227 -15.765 -4.458 321 H LYS 39 H LYS 39 5.760 -12.887 -2.414 322 HA LYS 39 HA LYS 39 6.634 -13.984 0.115 323 HB2 LYS 39 HB2 LYS 39 7.998 -11.960 -1.726 324 HB3 LYS 39 HB3 LYS 39 8.772 -12.880 -0.432 325 HG2 LYS 39 HG2 LYS 39 8.363 -14.982 -1.651 326 HG3 LYS 39 HG3 LYS 39 7.515 -14.098 -2.922 327 HD2 LYS 39 HD2 LYS 39 9.617 -12.901 -3.489 328 HD3 LYS 39 HD3 LYS 39 10.463 -13.790 -2.214 329 HE2 LYS 39 HE2 LYS 39 10.015 -15.919 -3.388 330 HE3 LYS 39 HE3 LYS 39 9.130 -15.050 -4.645 331 HZ1 LYS 39 HZ1 LYS 39 11.195 -13.861 -5.192 332 HZ2 LYS 39 HZ2 LYS 39 11.351 -15.532 -5.379 333 HZ3 LYS 39 HZ3 LYS 39 12.029 -14.771 -4.035 334 H VAL 40 H VAL 40 4.754 -11.314 -0.670 335 HA VAL 40 HA VAL 40 5.633 -9.222 0.979 336 HB VAL 40 HB VAL 40 2.731 -9.950 0.302 337 HG11 VAL 40 HG11 VAL 40 2.203 -7.578 0.805 338 HG12 VAL 40 HG12 VAL 40 3.864 -7.328 1.349 339 HG13 VAL 40 HG13 VAL 40 2.806 -8.435 2.227 340 HG21 VAL 40 HG21 VAL 40 4.603 -7.992 -1.078 341 HG22 VAL 40 HG22 VAL 40 2.910 -8.271 -1.496 342 HG23 VAL 40 HG23 VAL 40 4.097 -9.558 -1.710 343 H LYS 41 H LYS 41 3.596 -12.020 1.741 344 HA LYS 41 HA LYS 41 2.695 -11.409 4.289 345 HB2 LYS 41 HB2 LYS 41 1.919 -13.273 2.829 346 HB3 LYS 41 HB3 LYS 41 3.414 -14.144 3.148 347 HG2 LYS 41 HG2 LYS 41 2.812 -14.371 5.510 348 HG3 LYS 41 HG3 LYS 41 1.364 -13.391 5.255 349 HD2 LYS 41 HD2 LYS 41 0.416 -15.099 3.767 350 HD3 LYS 41 HD3 LYS 41 1.890 -16.064 3.885 351 HE2 LYS 41 HE2 LYS 41 1.476 -16.454 6.269 352 HE3 LYS 41 HE3 LYS 41 0.047 -15.416 6.215 353 HZ1 LYS 41 HZ1 LYS 41 -0.547 -17.749 6.110 354 HZ2 LYS 41 HZ2 LYS 41 0.382 -17.971 4.720 355 HZ3 LYS 41 HZ3 LYS 41 -0.988 -16.977 4.675 356 H GLU 42 H GLU 42 5.786 -12.851 3.310 357 HA GLU 42 HA GLU 42 6.858 -13.181 5.970 358 HB2 GLU 42 HB2 GLU 42 8.344 -13.045 3.308 359 HB3 GLU 42 HB3 GLU 42 8.990 -13.668 4.824 360 HG2 GLU 42 HG2 GLU 42 6.746 -14.869 3.183 361 HG3 GLU 42 HG3 GLU 42 8.390 -15.487 3.320 362 H GLU 43 H GLU 43 7.055 -10.707 3.437 363 HA GLU 43 HA GLU 43 9.028 -9.044 4.602 364 HB2 GLU 43 HB2 GLU 43 6.878 -8.556 2.524 365 HB3 GLU 43 HB3 GLU 43 7.996 -7.289 3.015 366 HG2 GLU 43 HG2 GLU 43 8.834 -9.957 1.856 367 HG3 GLU 43 HG3 GLU 43 8.660 -8.472 0.921 368 H ILE 44 H ILE 44 5.621 -9.313 5.202 369 HA ILE 44 HA ILE 44 5.090 -6.915 6.598 370 HB ILE 44 HB ILE 44 3.860 -9.711 6.832 371 HG12 ILE 44 HG12 ILE 44 2.778 -7.174 5.501 372 HG13 ILE 44 HG13 ILE 44 3.537 -8.511 4.645 373 HG21 ILE 44 HG21 ILE 44 3.489 -8.541 8.962 374 HG22 ILE 44 HG22 ILE 44 1.976 -8.710 8.073 375 HG23 ILE 44 HG23 ILE 44 2.816 -7.156 8.100 376 HD11 ILE 44 HD11 ILE 44 0.936 -8.550 6.149 377 HD12 ILE 44 HD12 ILE 44 1.725 -9.988 5.498 378 HD13 ILE 44 HD13 ILE 44 1.194 -8.708 4.413 379 H GLU 45 H GLU 45 6.200 -10.121 7.654 380 HA GLU 45 HA GLU 45 6.486 -9.743 10.424 381 HB2 GLU 45 HB2 GLU 45 6.537 -11.968 9.366 382 HB3 GLU 45 HB3 GLU 45 8.016 -11.566 8.496 383 HG2 GLU 45 HG2 GLU 45 9.239 -11.429 10.632 384 HG3 GLU 45 HG3 GLU 45 7.753 -11.801 11.507 385 H LYS 46 H LYS 46 8.669 -9.080 7.730 386 HA LYS 46 HA LYS 46 11.004 -8.556 9.269 387 HB2 LYS 46 HB2 LYS 46 10.437 -7.425 6.498 388 HB3 LYS 46 HB3 LYS 46 12.007 -7.733 7.230 389 HG2 LYS 46 HG2 LYS 46 10.018 -9.719 6.125 390 HG3 LYS 46 HG3 LYS 46 11.686 -9.448 5.620 391 HD2 LYS 46 HD2 LYS 46 12.486 -10.459 7.739 392 HD3 LYS 46 HD3 LYS 46 10.813 -10.670 8.271 393 HE2 LYS 46 HE2 LYS 46 10.411 -12.192 6.342 394 HE3 LYS 46 HE3 LYS 46 12.108 -12.025 5.878 395 HZ1 LYS 46 HZ1 LYS 46 11.046 -13.221 8.386 396 HZ2 LYS 46 HZ2 LYS 46 12.686 -12.902 8.124 397 HZ3 LYS 46 HZ3 LYS 46 11.874 -14.015 7.142 398 H ALA 47 H ALA 47 8.481 -6.487 7.884 399 HA ALA 47 HA ALA 47 9.460 -3.954 8.636 400 HB1 ALA 47 HB1 ALA 47 7.685 -4.296 6.962 401 HB2 ALA 47 HB2 ALA 47 7.162 -3.173 8.219 402 HB3 ALA 47 HB3 ALA 47 6.584 -4.844 8.226 403 H ARG 48 H ARG 48 7.381 -6.269 10.362 404 HA ARG 48 HA ARG 48 6.740 -4.711 12.628 405 HB2 ARG 48 HB2 ARG 48 7.144 -7.729 12.482 406 HB3 ARG 48 HB3 ARG 48 6.305 -6.868 13.771 407 HG2 ARG 48 HG2 ARG 48 4.592 -6.135 12.130 408 HG3 ARG 48 HG3 ARG 48 5.423 -7.060 10.881 409 HD2 ARG 48 HD2 ARG 48 3.543 -8.348 11.708 410 HD3 ARG 48 HD3 ARG 48 5.043 -9.139 12.202 411 HE ARG 48 HE ARG 48 3.950 -7.345 14.181 412 HH11 ARG 48 HH11 ARG 48 3.790 -10.675 12.986 413 HH12 ARG 48 HH12 ARG 48 3.191 -11.300 14.489 414 HH21 ARG 48 HH21 ARG 48 3.177 -8.190 16.126 415 HH22 ARG 48 HH22 ARG 48 2.844 -9.887 16.279 416 H LYS 49 H LYS 49 9.399 -7.007 12.054 417 HA LYS 49 HA LYS 49 10.494 -6.885 14.676 418 HB2 LYS 49 HB2 LYS 49 10.701 -8.701 12.774 419 HB3 LYS 49 HB3 LYS 49 12.069 -7.755 12.217 420 HG2 LYS 49 HG2 LYS 49 11.867 -8.854 15.041 421 HG3 LYS 49 HG3 LYS 49 12.555 -9.780 13.711 422 HD2 LYS 49 HD2 LYS 49 13.594 -7.090 14.652 423 HD3 LYS 49 HD3 LYS 49 14.256 -8.652 15.148 424 HE2 LYS 49 HE2 LYS 49 14.767 -9.130 12.744 425 HE3 LYS 49 HE3 LYS 49 14.214 -7.500 12.340 426 HZ1 LYS 49 HZ1 LYS 49 16.470 -8.146 14.182 427 HZ2 LYS 49 HZ2 LYS 49 15.950 -6.593 13.771 428 HZ3 LYS 49 HZ3 LYS 49 16.625 -7.595 12.594 429 H GLN 50 H GLN 50 11.095 -5.084 11.703 430 HA GLN 50 HA GLN 50 13.386 -3.596 12.717 431 HB2 GLN 50 HB2 GLN 50 11.747 -3.286 10.158 432 HB3 GLN 50 HB3 GLN 50 13.215 -2.379 10.512 433 HG2 GLN 50 HG2 GLN 50 13.138 -5.405 10.377 434 HG3 GLN 50 HG3 GLN 50 13.462 -4.393 8.969 435 HE21 GLN 50 HE21 GLN 50 14.686 -5.508 12.042 436 HE22 GLN 50 HE22 GLN 50 16.335 -5.063 11.773 437 H GLY 51 H GLY 51 9.962 -3.288 12.889 438 HA2 GLY 51 HA2 GLY 51 8.609 -1.763 13.962 439 HA3 GLY 51 HA3 GLY 51 10.056 -0.929 14.504 440 H ARG 52 H ARG 52 9.500 -1.471 11.122 441 HA ARG 52 HA ARG 52 8.947 1.414 10.659 442 HB2 ARG 52 HB2 ARG 52 10.923 -0.423 9.213 443 HB3 ARG 52 HB3 ARG 52 10.449 1.165 8.609 444 HG2 ARG 52 HG2 ARG 52 11.311 2.131 10.803 445 HG3 ARG 52 HG3 ARG 52 11.974 0.532 11.146 446 HD2 ARG 52 HD2 ARG 52 13.374 0.655 9.141 447 HD3 ARG 52 HD3 ARG 52 12.678 2.225 8.719 448 HE ARG 52 HE ARG 52 14.319 1.701 11.133 449 HH11 ARG 52 HH11 ARG 52 13.364 3.908 8.541 450 HH12 ARG 52 HH12 ARG 52 14.450 5.156 9.060 451 HH21 ARG 52 HH21 ARG 52 15.716 3.333 11.795 452 HH22 ARG 52 HH22 ARG 52 15.791 4.829 10.915 453 HA PRO 53 HA PRO 53 5.763 0.005 7.851 454 HB2 PRO 53 HB2 PRO 53 5.779 1.803 5.798 455 HB3 PRO 53 HB3 PRO 53 5.271 2.246 7.441 456 HG2 PRO 53 HG2 PRO 53 7.945 2.667 6.135 457 HG3 PRO 53 HG3 PRO 53 6.949 3.827 7.045 458 HD2 PRO 53 HD2 PRO 53 9.011 2.535 8.225 459 HD3 PRO 53 HD3 PRO 53 7.518 2.911 9.117 460 H ILE 54 H ILE 54 5.274 -0.863 5.779 461 HA ILE 54 HA ILE 54 7.485 -1.474 3.918 462 HB ILE 54 HB ILE 54 7.164 -3.584 5.046 463 HG12 ILE 54 HG12 ILE 54 5.629 -3.528 2.406 464 HG13 ILE 54 HG13 ILE 54 7.315 -3.961 2.667 465 HG21 ILE 54 HG21 ILE 54 5.070 -3.059 6.230 466 HG22 ILE 54 HG22 ILE 54 5.008 -4.658 5.489 467 HG23 ILE 54 HG23 ILE 54 4.160 -3.302 4.738 468 HD11 ILE 54 HD11 ILE 54 6.030 -5.919 2.180 469 HD12 ILE 54 HD12 ILE 54 4.886 -5.560 3.470 470 HD13 ILE 54 HD13 ILE 54 6.552 -5.997 3.861 471 H VAL 55 H VAL 55 6.941 -0.604 1.961 472 HA VAL 55 HA VAL 55 4.099 -0.018 1.387 473 HB VAL 55 HB VAL 55 6.543 0.983 -0.167 474 HG11 VAL 55 HG11 VAL 55 3.634 1.889 -0.153 475 HG12 VAL 55 HG12 VAL 55 4.438 0.979 -1.439 476 HG13 VAL 55 HG13 VAL 55 4.946 2.628 -1.076 477 HG21 VAL 55 HG21 VAL 55 4.984 2.405 2.025 478 HG22 VAL 55 HG22 VAL 55 6.254 3.118 1.028 479 HG23 VAL 55 HG23 VAL 55 6.641 1.811 2.142 480 H VAL 56 H VAL 56 3.225 -1.721 0.521 481 HA VAL 56 HA VAL 56 4.525 -3.481 -1.406 482 HB VAL 56 HB VAL 56 1.666 -3.602 -0.275 483 HG11 VAL 56 HG11 VAL 56 1.745 -5.987 -0.942 484 HG12 VAL 56 HG12 VAL 56 3.344 -5.751 -1.654 485 HG13 VAL 56 HG13 VAL 56 1.941 -4.923 -2.337 486 HG21 VAL 56 HG21 VAL 56 4.174 -5.004 0.731 487 HG22 VAL 56 HG22 VAL 56 2.533 -5.243 1.339 488 HG23 VAL 56 HG23 VAL 56 3.325 -3.680 1.536 489 H PHE 57 H PHE 57 3.978 -3.503 -3.566 490 HA PHE 57 HA PHE 57 1.996 -1.549 -4.572 491 HB2 PHE 57 HB2 PHE 57 4.534 -2.616 -5.908 492 HB3 PHE 57 HB3 PHE 57 3.400 -1.471 -6.629 493 HD1 PHE 57 HD1 PHE 57 3.042 0.784 -5.464 494 HD2 PHE 57 HD2 PHE 57 6.294 -1.813 -4.473 495 HE1 PHE 57 HE1 PHE 57 4.200 2.649 -4.362 496 HE2 PHE 57 HE2 PHE 57 7.449 0.068 -3.379 497 HZ PHE 57 HZ PHE 57 6.398 2.296 -3.318 498 H VAL 58 H VAL 58 0.242 -2.628 -4.972 499 HA VAL 58 HA VAL 58 0.249 -5.356 -6.099 500 HB VAL 58 HB VAL 58 -1.935 -3.767 -4.636 501 HG11 VAL 58 HG11 VAL 58 -2.981 -5.204 -6.333 502 HG12 VAL 58 HG12 VAL 58 -3.308 -5.819 -4.712 503 HG13 VAL 58 HG13 VAL 58 -2.093 -6.603 -5.725 504 HG21 VAL 58 HG21 VAL 58 -0.163 -4.603 -3.147 505 HG22 VAL 58 HG22 VAL 58 -0.365 -6.237 -3.786 506 HG23 VAL 58 HG23 VAL 58 -1.669 -5.481 -2.862 507 H ARG 59 H ARG 59 -0.872 -5.760 -8.048 508 HA ARG 59 HA ARG 59 -1.081 -3.522 -9.882 509 HB2 ARG 59 HB2 ARG 59 -0.101 -5.773 -10.513 510 HB3 ARG 59 HB3 ARG 59 -1.699 -6.485 -10.335 511 HG2 ARG 59 HG2 ARG 59 -2.543 -5.098 -12.171 512 HG3 ARG 59 HG3 ARG 59 -0.963 -4.329 -12.337 513 HD2 ARG 59 HD2 ARG 59 -1.518 -7.291 -12.753 514 HD3 ARG 59 HD3 ARG 59 -1.368 -6.093 -14.041 515 HE ARG 59 HE ARG 59 0.968 -5.836 -12.671 516 HH11 ARG 59 HH11 ARG 59 -0.594 -8.640 -14.142 517 HH12 ARG 59 HH12 ARG 59 0.911 -9.438 -14.468 518 HH21 ARG 59 HH21 ARG 59 2.903 -6.877 -13.144 519 HH22 ARG 59 HH22 ARG 59 2.895 -8.440 -13.907 520 H GLY 60 H GLY 60 -2.980 -2.757 -10.817 521 HA2 GLY 60 HA2 GLY 60 -5.406 -2.778 -9.329 522 HA3 GLY 60 HA3 GLY 60 -5.157 -2.078 -10.925 523 H GLY 61 H GLY 61 -6.211 -4.846 -9.164 524 HA2 GLY 61 HA2 GLY 61 -8.090 -5.994 -10.641 525 HA3 GLY 61 HA3 GLY 61 -6.657 -6.577 -11.495 526 H ASP 62 H ASP 62 -5.013 -6.648 -9.116 527 HA ASP 62 HA ASP 62 -5.748 -9.184 -7.915 528 HB2 ASP 62 HB2 ASP 62 -3.382 -7.286 -7.555 529 HB3 ASP 62 HB3 ASP 62 -3.540 -8.807 -6.681 530 H ASP 63 H ASP 63 -7.777 -7.709 -7.226 531 HA ASP 63 HA ASP 63 -7.610 -5.979 -5.003 532 HB2 ASP 63 HB2 ASP 63 -9.489 -6.056 -6.625 533 HB3 ASP 63 HB3 ASP 63 -9.972 -7.627 -5.998 534 H GLU 64 H GLU 64 -8.069 -9.484 -5.252 535 HA GLU 64 HA GLU 64 -8.619 -10.048 -2.546 536 HB2 GLU 64 HB2 GLU 64 -7.332 -11.774 -4.695 537 HB3 GLU 64 HB3 GLU 64 -7.720 -12.374 -3.081 538 HG2 GLU 64 HG2 GLU 64 -10.117 -11.726 -3.495 539 HG3 GLU 64 HG3 GLU 64 -9.680 -11.364 -5.168 540 H ARG 65 H ARG 65 -5.576 -9.472 -4.217 541 HA ARG 65 HA ARG 65 -3.831 -10.381 -2.153 542 HB2 ARG 65 HB2 ARG 65 -3.411 -8.479 -4.494 543 HB3 ARG 65 HB3 ARG 65 -2.134 -8.785 -3.322 544 HG2 ARG 65 HG2 ARG 65 -1.867 -10.149 -5.350 545 HG3 ARG 65 HG3 ARG 65 -2.072 -11.148 -3.915 546 HD2 ARG 65 HD2 ARG 65 -4.351 -11.678 -4.536 547 HD3 ARG 65 HD3 ARG 65 -4.313 -10.516 -5.864 548 HE ARG 65 HE ARG 65 -2.661 -11.948 -6.967 549 HH11 ARG 65 HH11 ARG 65 -4.594 -13.456 -4.433 550 HH12 ARG 65 HH12 ARG 65 -4.352 -15.061 -5.052 551 HH21 ARG 65 HH21 ARG 65 -2.347 -14.063 -7.731 552 HH22 ARG 65 HH22 ARG 65 -3.088 -15.398 -6.902 553 H ALA 66 H ALA 66 -5.393 -7.272 -2.847 554 HA ALA 66 HA ALA 66 -4.168 -5.697 -0.859 555 HB1 ALA 66 HB1 ALA 66 -6.104 -4.200 -1.051 556 HB2 ALA 66 HB2 ALA 66 -6.998 -5.439 -1.943 557 HB3 ALA 66 HB3 ALA 66 -5.543 -4.721 -2.638 558 H LYS 67 H LYS 67 -7.234 -7.559 -0.698 559 HA LYS 67 HA LYS 67 -7.779 -6.788 2.006 560 HB2 LYS 67 HB2 LYS 67 -9.664 -8.441 1.865 561 HB3 LYS 67 HB3 LYS 67 -9.650 -7.235 0.590 562 HG2 LYS 67 HG2 LYS 67 -9.432 -8.765 -1.062 563 HG3 LYS 67 HG3 LYS 67 -8.216 -9.690 -0.197 564 HD2 LYS 67 HD2 LYS 67 -11.219 -9.888 0.273 565 HD3 LYS 67 HD3 LYS 67 -10.265 -11.001 -0.710 566 HE2 LYS 67 HE2 LYS 67 -8.907 -11.533 1.349 567 HE3 LYS 67 HE3 LYS 67 -10.053 -10.564 2.284 568 HZ1 LYS 67 HZ1 LYS 67 -10.669 -13.009 0.713 569 HZ2 LYS 67 HZ2 LYS 67 -11.835 -12.060 1.481 570 HZ3 LYS 67 HZ3 LYS 67 -10.667 -12.871 2.397 571 H ASP 68 H ASP 68 -6.274 -9.661 0.580 572 HA ASP 68 HA ASP 68 -6.338 -11.259 2.955 573 HB2 ASP 68 HB2 ASP 68 -4.836 -11.528 0.331 574 HB3 ASP 68 HB3 ASP 68 -4.414 -12.572 1.680 575 H ILE 69 H ILE 69 -3.702 -9.355 1.431 576 HA ILE 69 HA ILE 69 -1.740 -9.782 3.444 577 HB ILE 69 HB ILE 69 -2.076 -7.416 1.527 578 HG12 ILE 69 HG12 ILE 69 -0.192 -9.813 1.238 579 HG13 ILE 69 HG13 ILE 69 -1.752 -9.695 0.433 580 HG21 ILE 69 HG21 ILE 69 0.367 -8.209 3.146 581 HG22 ILE 69 HG22 ILE 69 -0.641 -6.785 3.412 582 HG23 ILE 69 HG23 ILE 69 0.310 -6.929 1.934 583 HD11 ILE 69 HD11 ILE 69 0.547 -7.776 0.026 584 HD12 ILE 69 HD12 ILE 69 -1.003 -7.762 -0.823 585 HD13 ILE 69 HD13 ILE 69 0.110 -9.111 -1.042 586 H ALA 70 H ALA 70 -4.301 -7.361 3.034 587 HA ALA 70 HA ALA 70 -3.634 -5.620 5.177 588 HB1 ALA 70 HB1 ALA 70 -5.885 -4.701 4.853 589 HB2 ALA 70 HB2 ALA 70 -6.326 -6.091 3.853 590 HB3 ALA 70 HB3 ALA 70 -5.085 -4.964 3.306 591 H GLU 71 H GLU 71 -5.891 -8.381 4.959 592 HA GLU 71 HA GLU 71 -7.024 -8.178 7.554 593 HB2 GLU 71 HB2 GLU 71 -8.092 -9.486 5.761 594 HB3 GLU 71 HB3 GLU 71 -6.726 -10.594 5.698 595 HG2 GLU 71 HG2 GLU 71 -7.261 -11.335 8.014 596 HG3 GLU 71 HG3 GLU 71 -8.654 -10.252 8.016 597 H TYR 72 H TYR 72 -4.290 -9.996 6.246 598 HA TYR 72 HA TYR 72 -3.545 -11.417 8.570 599 HB2 TYR 72 HB2 TYR 72 -2.736 -12.005 6.294 600 HB3 TYR 72 HB3 TYR 72 -1.817 -10.509 6.217 601 HD1 TYR 72 HD1 TYR 72 -2.052 -13.789 8.027 602 HD2 TYR 72 HD2 TYR 72 0.415 -10.426 7.112 603 HE1 TYR 72 HE1 TYR 72 -0.114 -14.938 9.008 604 HE2 TYR 72 HE2 TYR 72 2.357 -11.580 8.086 605 HH TYR 72 HH TYR 72 2.780 -13.381 9.753 606 H ALA 73 H ALA 73 -2.373 -8.344 7.207 607 HA ALA 73 HA ALA 73 -0.404 -7.729 9.102 608 HB1 ALA 73 HB1 ALA 73 -0.552 -6.677 6.899 609 HB2 ALA 73 HB2 ALA 73 -0.526 -5.453 8.170 610 HB3 ALA 73 HB3 ALA 73 -2.044 -5.859 7.365 611 H GLN 74 H GLN 74 -3.816 -6.636 8.928 612 HA GLN 74 HA GLN 74 -3.883 -5.014 11.238 613 HB2 GLN 74 HB2 GLN 74 -5.638 -5.031 9.453 614 HB3 GLN 74 HB3 GLN 74 -6.149 -6.633 9.975 615 HG2 GLN 74 HG2 GLN 74 -6.795 -5.687 12.174 616 HG3 GLN 74 HG3 GLN 74 -6.321 -4.084 11.609 617 HE21 GLN 74 HE21 GLN 74 -7.596 -3.071 9.997 618 HE22 GLN 74 HE22 GLN 74 -9.210 -3.585 9.657 619 H LYS 75 H LYS 75 -4.375 -8.478 10.752 620 HA LYS 75 HA LYS 75 -5.175 -9.092 13.449 621 HB2 LYS 75 HB2 LYS 75 -5.826 -10.399 11.399 622 HB3 LYS 75 HB3 LYS 75 -4.166 -10.963 11.260 623 HG2 LYS 75 HG2 LYS 75 -4.370 -12.134 13.414 624 HG3 LYS 75 HG3 LYS 75 -6.017 -11.528 13.610 625 HD2 LYS 75 HD2 LYS 75 -5.046 -13.396 11.403 626 HD3 LYS 75 HD3 LYS 75 -6.015 -13.868 12.800 627 HE2 LYS 75 HE2 LYS 75 -7.848 -12.392 11.995 628 HE3 LYS 75 HE3 LYS 75 -6.879 -11.983 10.576 629 HZ1 LYS 75 HZ1 LYS 75 -7.918 -14.675 11.294 630 HZ2 LYS 75 HZ2 LYS 75 -6.890 -14.373 9.990 631 HZ3 LYS 75 HZ3 LYS 75 -8.441 -13.704 10.018 632 H GLU 76 H GLU 76 -2.085 -8.668 11.828 633 HA GLU 76 HA GLU 76 -0.493 -9.917 13.935 634 HB2 GLU 76 HB2 GLU 76 0.306 -8.084 11.629 635 HB3 GLU 76 HB3 GLU 76 1.449 -8.871 12.713 636 HG2 GLU 76 HG2 GLU 76 -0.483 -10.339 10.902 637 HG3 GLU 76 HG3 GLU 76 1.181 -9.970 10.482 638 H GLY 77 H GLY 77 -2.382 -7.226 13.934 639 HA2 GLY 77 HA2 GLY 77 -2.653 -5.648 15.613 640 HA3 GLY 77 HA3 GLY 77 -1.089 -6.102 16.274 641 H LEU 78 H LEU 78 -1.494 -5.250 12.916 642 HA LEU 78 HA LEU 78 0.294 -2.921 13.307 643 HB2 LEU 78 HB2 LEU 78 -0.250 -4.445 10.730 644 HB3 LEU 78 HB3 LEU 78 1.010 -3.248 11.014 645 HG LEU 78 HG LEU 78 0.865 -6.061 12.161 646 HD11 LEU 78 HD11 LEU 78 2.859 -6.467 10.833 647 HD12 LEU 78 HD12 LEU 78 2.838 -4.809 10.234 648 HD13 LEU 78 HD13 LEU 78 1.535 -5.923 9.807 649 HD21 LEU 78 HD21 LEU 78 1.795 -4.581 13.878 650 HD22 LEU 78 HD22 LEU 78 2.970 -3.947 12.725 651 HD23 LEU 78 HD23 LEU 78 3.044 -5.639 13.221 652 H ARG 79 H ARG 79 0.002 -1.105 11.796 653 HA ARG 79 HA ARG 79 -2.798 -0.431 11.280 654 HB2 ARG 79 HB2 ARG 79 -0.199 1.138 11.256 655 HB3 ARG 79 HB3 ARG 79 -1.620 1.788 10.454 656 HG2 ARG 79 HG2 ARG 79 -1.389 2.758 12.662 657 HG3 ARG 79 HG3 ARG 79 -2.857 1.793 12.578 658 HD2 ARG 79 HD2 ARG 79 -0.317 0.647 13.774 659 HD3 ARG 79 HD3 ARG 79 -1.385 1.683 14.723 660 HE ARG 79 HE ARG 79 -2.678 -0.580 13.439 661 HH11 ARG 79 HH11 ARG 79 -1.135 0.587 16.424 662 HH12 ARG 79 HH12 ARG 79 -1.893 -0.631 17.405 663 HH21 ARG 79 HH21 ARG 79 -3.586 -2.188 14.761 664 HH22 ARG 79 HH22 ARG 79 -3.264 -2.186 16.467 665 H VAL 80 H VAL 80 -3.712 -0.594 9.292 666 HA VAL 80 HA VAL 80 -1.995 -1.237 6.960 667 HB VAL 80 HB VAL 80 -4.961 -1.915 7.365 668 HG11 VAL 80 HG11 VAL 80 -3.032 -2.763 5.165 669 HG12 VAL 80 HG12 VAL 80 -4.352 -1.600 4.999 670 HG13 VAL 80 HG13 VAL 80 -4.705 -3.290 5.343 671 HG21 VAL 80 HG21 VAL 80 -2.544 -3.757 7.546 672 HG22 VAL 80 HG22 VAL 80 -4.237 -4.254 7.645 673 HG23 VAL 80 HG23 VAL 80 -3.547 -3.221 8.897 674 H ILE 81 H ILE 81 -1.841 0.358 5.524 675 HA ILE 81 HA ILE 81 -4.095 2.231 5.104 676 HB ILE 81 HB ILE 81 -1.084 2.709 4.932 677 HG12 ILE 81 HG12 ILE 81 -1.735 4.861 6.194 678 HG13 ILE 81 HG13 ILE 81 -3.354 4.197 6.356 679 HG21 ILE 81 HG21 ILE 81 -1.926 3.517 2.807 680 HG22 ILE 81 HG22 ILE 81 -1.564 4.905 3.831 681 HG23 ILE 81 HG23 ILE 81 -3.238 4.393 3.603 682 HD11 ILE 81 HD11 ILE 81 -2.050 3.928 8.387 683 HD12 ILE 81 HD12 ILE 81 -0.826 3.013 7.511 684 HD13 ILE 81 HD13 ILE 81 -2.451 2.355 7.698 685 H VAL 82 H VAL 82 -5.139 1.720 3.241 686 HA VAL 82 HA VAL 82 -3.685 0.354 1.033 687 HB VAL 82 HB VAL 82 -6.704 0.566 1.579 688 HG11 VAL 82 HG11 VAL 82 -5.267 -1.001 -0.598 689 HG12 VAL 82 HG12 VAL 82 -6.279 0.428 -0.829 690 HG13 VAL 82 HG13 VAL 82 -6.994 -1.073 -0.242 691 HG21 VAL 82 HG21 VAL 82 -6.595 -1.842 2.121 692 HG22 VAL 82 HG22 VAL 82 -5.570 -0.895 3.200 693 HG23 VAL 82 HG23 VAL 82 -4.845 -1.827 1.888 694 H ILE 83 H ILE 83 -3.054 1.755 -0.593 695 HA ILE 83 HA ILE 83 -4.615 4.233 -1.082 696 HB ILE 83 HB ILE 83 -1.715 3.599 -1.861 697 HG12 ILE 83 HG12 ILE 83 -2.747 5.403 0.384 698 HG13 ILE 83 HG13 ILE 83 -2.123 3.777 0.625 699 HG21 ILE 83 HG21 ILE 83 -1.535 6.017 -2.368 700 HG22 ILE 83 HG22 ILE 83 -3.252 6.232 -2.022 701 HG23 ILE 83 HG23 ILE 83 -2.744 5.238 -3.390 702 HD11 ILE 83 HD11 ILE 83 -0.570 6.129 -0.414 703 HD12 ILE 83 HD12 ILE 83 0.055 4.490 -0.192 704 HD13 ILE 83 HD13 ILE 83 -0.490 5.424 1.198 705 H ILE 84 H ILE 84 -5.935 4.084 -2.799 706 HA ILE 84 HA ILE 84 -5.379 2.216 -5.018 707 HB ILE 84 HB ILE 84 -7.912 3.861 -4.466 708 HG12 ILE 84 HG12 ILE 84 -7.435 0.904 -3.831 709 HG13 ILE 84 HG13 ILE 84 -7.356 2.192 -2.633 710 HG21 ILE 84 HG21 ILE 84 -7.457 1.487 -6.328 711 HG22 ILE 84 HG22 ILE 84 -7.678 3.168 -6.824 712 HG23 ILE 84 HG23 ILE 84 -9.000 2.296 -6.047 713 HD11 ILE 84 HD11 ILE 84 -9.703 2.719 -3.058 714 HD12 ILE 84 HD12 ILE 84 -9.452 1.058 -2.524 715 HD13 ILE 84 HD13 ILE 84 -9.778 1.393 -4.224 716 H VAL 85 H VAL 85 -4.566 3.013 -6.878 717 HA VAL 85 HA VAL 85 -4.674 5.897 -7.508 718 HB VAL 85 HB VAL 85 -2.691 3.842 -8.644 719 HG11 VAL 85 HG11 VAL 85 -1.376 5.835 -9.278 720 HG12 VAL 85 HG12 VAL 85 -2.622 6.884 -8.597 721 HG13 VAL 85 HG13 VAL 85 -2.990 5.874 -9.997 722 HG21 VAL 85 HG21 VAL 85 -2.361 3.903 -6.224 723 HG22 VAL 85 HG22 VAL 85 -2.264 5.665 -6.250 724 HG23 VAL 85 HG23 VAL 85 -1.009 4.701 -7.037 725 H SER 86 H SER 86 -6.515 6.019 -8.753 726 HA SER 86 HA SER 86 -6.654 4.656 -11.326 727 HB2 SER 86 HB2 SER 86 -8.892 4.364 -9.249 728 HB3 SER 86 HB3 SER 86 -9.004 3.846 -10.930 729 HG SER 86 HG SER 86 -6.831 2.739 -9.914 730 H GLN 87 H GLN 87 -7.540 6.060 -12.812 731 HA GLN 87 HA GLN 87 -8.527 8.658 -11.865 732 HB2 GLN 87 HB2 GLN 87 -8.284 9.346 -14.257 733 HB3 GLN 87 HB3 GLN 87 -6.787 8.784 -13.521 734 HG2 GLN 87 HG2 GLN 87 -7.092 6.583 -14.651 735 HG3 GLN 87 HG3 GLN 87 -8.524 7.222 -15.459 736 HE21 GLN 87 HE21 GLN 87 -5.046 7.440 -15.200 737 HE22 GLN 87 HE22 GLN 87 -4.785 8.289 -16.683 738 H ASP 88 H ASP 88 -10.313 6.993 -11.123 739 HA ASP 88 HA ASP 88 -12.682 7.609 -12.681 740 HB2 ASP 88 HB2 ASP 88 -11.908 5.407 -13.615 741 HB3 ASP 88 HB3 ASP 88 -11.986 4.707 -12.003 742 H GLU 89 H GLU 89 -14.331 7.992 -11.310 743 HA GLU 89 HA GLU 89 -13.627 8.457 -8.584 744 HB2 GLU 89 HB2 GLU 89 -16.395 8.766 -9.837 745 HB3 GLU 89 HB3 GLU 89 -15.866 9.434 -8.298 746 HG2 GLU 89 HG2 GLU 89 -15.782 11.261 -9.755 747 HG3 GLU 89 HG3 GLU 89 -14.110 10.733 -9.638 748 H GLU 90 H GLU 90 -15.642 6.101 -10.229 749 HA GLU 90 HA GLU 90 -16.734 4.875 -7.851 750 HB2 GLU 90 HB2 GLU 90 -16.679 3.910 -10.748 751 HB3 GLU 90 HB3 GLU 90 -17.549 3.109 -9.437 752 HG2 GLU 90 HG2 GLU 90 -18.877 5.219 -9.115 753 HG3 GLU 90 HG3 GLU 90 -18.077 5.875 -10.544 754 H ALA 91 H ALA 91 -13.943 4.268 -9.927 755 HA ALA 91 HA ALA 91 -13.245 1.696 -8.908 756 HB1 ALA 91 HB1 ALA 91 -11.045 2.093 -9.953 757 HB2 ALA 91 HB2 ALA 91 -11.459 3.797 -10.185 758 HB3 ALA 91 HB3 ALA 91 -12.358 2.545 -11.044 759 H LEU 92 H LEU 92 -12.385 4.994 -8.032 760 HA LEU 92 HA LEU 92 -10.615 4.340 -5.885 761 HB2 LEU 92 HB2 LEU 92 -12.126 6.890 -6.610 762 HB3 LEU 92 HB3 LEU 92 -11.002 6.796 -5.261 763 HG LEU 92 HG LEU 92 -10.298 6.443 -8.207 764 HD11 LEU 92 HD11 LEU 92 -9.568 8.657 -6.256 765 HD12 LEU 92 HD12 LEU 92 -10.707 8.780 -7.599 766 HD13 LEU 92 HD13 LEU 92 -8.996 8.515 -7.923 767 HD21 LEU 92 HD21 LEU 92 -8.926 4.953 -6.832 768 HD22 LEU 92 HD22 LEU 92 -8.468 6.303 -5.790 769 HD23 LEU 92 HD23 LEU 92 -7.964 6.279 -7.482 770 H ARG 93 H ARG 93 -14.056 5.351 -6.031 771 HA ARG 93 HA ARG 93 -14.410 5.599 -3.237 772 HB2 ARG 93 HB2 ARG 93 -15.878 6.778 -4.825 773 HB3 ARG 93 HB3 ARG 93 -16.533 5.248 -5.400 774 HG2 ARG 93 HG2 ARG 93 -17.483 4.818 -3.145 775 HG3 ARG 93 HG3 ARG 93 -16.850 6.368 -2.586 776 HD2 ARG 93 HD2 ARG 93 -18.302 7.547 -4.205 777 HD3 ARG 93 HD3 ARG 93 -18.912 5.994 -4.791 778 HE ARG 93 HE ARG 93 -19.656 5.655 -2.368 779 HH11 ARG 93 HH11 ARG 93 -19.608 8.836 -3.889 780 HH12 ARG 93 HH12 ARG 93 -20.888 9.452 -2.885 781 HH21 ARG 93 HH21 ARG 93 -21.339 6.460 -1.100 782 HH22 ARG 93 HH22 ARG 93 -21.871 8.103 -1.302 783 H LYS 94 H LYS 94 -15.335 2.931 -5.456 784 HA LYS 94 HA LYS 94 -16.791 1.396 -3.594 785 HB2 LYS 94 HB2 LYS 94 -15.306 0.571 -6.121 786 HB3 LYS 94 HB3 LYS 94 -16.227 -0.581 -5.157 787 HG2 LYS 94 HG2 LYS 94 -18.274 0.801 -5.515 788 HG3 LYS 94 HG3 LYS 94 -17.336 1.875 -6.559 789 HD2 LYS 94 HD2 LYS 94 -16.953 0.072 -8.160 790 HD3 LYS 94 HD3 LYS 94 -17.711 -1.104 -7.078 791 HE2 LYS 94 HE2 LYS 94 -19.249 -0.464 -8.870 792 HE3 LYS 94 HE3 LYS 94 -19.874 0.075 -7.313 793 HZ1 LYS 94 HZ1 LYS 94 -18.982 2.296 -7.824 794 HZ2 LYS 94 HZ2 LYS 94 -20.151 1.796 -8.934 795 HZ3 LYS 94 HZ3 LYS 94 -18.516 1.750 -9.354 796 H GLY 95 H GLY 95 -13.369 1.144 -4.609 797 HA2 GLY 95 HA2 GLY 95 -12.621 -0.901 -2.769 798 HA3 GLY 95 HA3 GLY 95 -11.539 0.198 -3.597 799 H TYR 96 H TYR 96 -12.819 2.589 -2.528 800 HA TYR 96 HA TYR 96 -11.146 3.004 -0.300 801 HB2 TYR 96 HB2 TYR 96 -11.718 4.884 -1.689 802 HB3 TYR 96 HB3 TYR 96 -13.436 4.644 -1.442 803 HD1 TYR 96 HD2 TYR 96 -10.292 5.596 0.394 804 HD2 TYR 96 HD1 TYR 96 -14.549 5.934 0.221 805 HE1 TYR 96 HE2 TYR 96 -10.237 7.302 2.152 806 HE2 TYR 96 HE1 TYR 96 -14.489 7.642 1.982 807 HH TYR 96 HH TYR 96 -11.567 9.107 3.028 808 H GLU 97 H GLU 97 -14.710 2.927 -0.461 809 HA GLU 97 HA GLU 97 -14.985 3.029 2.376 810 HB2 GLU 97 HB2 GLU 97 -17.418 2.826 1.960 811 HB3 GLU 97 HB3 GLU 97 -16.658 4.077 0.994 812 HG2 GLU 97 HG2 GLU 97 -18.129 3.136 -0.511 813 HG3 GLU 97 HG3 GLU 97 -16.616 2.327 -0.902 814 H ASP 98 H ASP 98 -14.880 0.434 0.018 815 HA ASP 98 HA ASP 98 -15.977 -1.671 1.558 816 HB2 ASP 98 HB2 ASP 98 -15.709 -1.822 -0.886 817 HB3 ASP 98 HB3 ASP 98 -13.960 -1.762 -0.732 818 H LYS 99 H LYS 99 -12.541 -0.773 1.043 819 HA LYS 99 HA LYS 99 -11.549 -2.751 2.912 820 HB2 LYS 99 HB2 LYS 99 -10.223 -0.531 1.324 821 HB3 LYS 99 HB3 LYS 99 -9.349 -1.305 2.638 822 HG2 LYS 99 HG2 LYS 99 -8.729 -2.313 0.511 823 HG3 LYS 99 HG3 LYS 99 -9.567 -3.496 1.525 824 HD2 LYS 99 HD2 LYS 99 -11.662 -3.055 0.246 825 HD3 LYS 99 HD3 LYS 99 -10.767 -1.943 -0.798 826 HE2 LYS 99 HE2 LYS 99 -9.396 -3.766 -1.651 827 HE3 LYS 99 HE3 LYS 99 -10.101 -4.897 -0.484 828 HZ1 LYS 99 HZ1 LYS 99 -11.132 -5.149 -2.638 829 HZ2 LYS 99 HZ2 LYS 99 -11.566 -3.522 -2.677 830 HZ3 LYS 99 HZ3 LYS 99 -12.268 -4.558 -1.538 831 H LYS 100 H LYS 100 -12.368 0.695 3.026 832 HA LYS 100 HA LYS 100 -11.212 1.280 5.566 833 HB2 LYS 100 HB2 LYS 100 -12.023 2.925 3.698 834 HB3 LYS 100 HB3 LYS 100 -13.618 2.764 4.423 835 HG2 LYS 100 HG2 LYS 100 -12.687 3.621 6.576 836 HG3 LYS 100 HG3 LYS 100 -11.108 3.791 5.797 837 HD2 LYS 100 HD2 LYS 100 -12.185 5.377 4.135 838 HD3 LYS 100 HD3 LYS 100 -13.661 5.298 5.105 839 HE2 LYS 100 HE2 LYS 100 -10.957 6.350 6.000 840 HE3 LYS 100 HE3 LYS 100 -12.403 7.301 5.672 841 HZ1 LYS 100 HZ1 LYS 100 -12.195 7.042 8.003 842 HZ2 LYS 100 HZ2 LYS 100 -11.984 5.377 7.881 843 HZ3 LYS 100 HZ3 LYS 100 -13.486 6.062 7.521 844 H LYS 101 H LYS 101 -14.242 -0.084 4.536 845 HA LYS 101 HA LYS 101 -15.709 0.013 6.986 846 HB2 LYS 101 HB2 LYS 101 -16.584 -0.369 4.625 847 HB3 LYS 101 HB3 LYS 101 -15.968 -2.010 4.712 848 HG2 LYS 101 HG2 LYS 101 -17.536 -2.560 6.472 849 HG3 LYS 101 HG3 LYS 101 -18.075 -0.880 6.593 850 HD2 LYS 101 HD2 LYS 101 -18.444 -2.752 4.213 851 HD3 LYS 101 HD3 LYS 101 -19.711 -2.191 5.303 852 HE2 LYS 101 HE2 LYS 101 -19.451 0.099 4.482 853 HE3 LYS 101 HE3 LYS 101 -18.077 -0.380 3.482 854 HZ1 LYS 101 HZ1 LYS 101 -20.885 -1.306 3.143 855 HZ2 LYS 101 HZ2 LYS 101 -19.579 -1.807 2.201 856 HZ3 LYS 101 HZ3 LYS 101 -20.078 -0.194 2.159 857 H LYS 102 H LYS 102 -13.392 -2.221 5.577 858 HA LYS 102 HA LYS 102 -13.565 -4.261 7.623 859 HB2 LYS 102 HB2 LYS 102 -11.501 -3.741 5.443 860 HB3 LYS 102 HB3 LYS 102 -11.578 -5.201 6.425 861 HG2 LYS 102 HG2 LYS 102 -13.678 -5.854 5.424 862 HG3 LYS 102 HG3 LYS 102 -13.830 -4.298 4.605 863 HD2 LYS 102 HD2 LYS 102 -11.878 -4.824 3.186 864 HD3 LYS 102 HD3 LYS 102 -11.656 -6.358 4.038 865 HE2 LYS 102 HE2 LYS 102 -12.805 -6.610 1.841 866 HE3 LYS 102 HE3 LYS 102 -13.777 -7.196 3.191 867 HZ1 LYS 102 HZ1 LYS 102 -14.083 -4.563 1.853 868 HZ2 LYS 102 HZ2 LYS 102 -15.024 -5.129 3.133 869 HZ3 LYS 102 HZ3 LYS 102 -15.093 -5.899 1.633 870 H GLY 103 H GLY 103 -12.231 -1.177 7.576 871 HA2 GLY 103 HA2 GLY 103 -11.254 -0.082 9.398 872 HA3 GLY 103 HA3 GLY 103 -10.778 -1.633 10.074 873 H TYR 104 H TYR 104 -10.085 -0.903 6.741 874 HA TYR 104 HA TYR 104 -7.217 -0.547 7.350 875 HB2 TYR 104 HB2 TYR 104 -8.410 -1.018 4.578 876 HB3 TYR 104 HB3 TYR 104 -6.743 -1.256 5.093 877 HD1 TYR 104 HD2 TYR 104 -7.255 -2.949 7.596 878 HD2 TYR 104 HD1 TYR 104 -8.950 -3.131 3.678 879 HE1 TYR 104 HE2 TYR 104 -7.759 -5.333 7.915 880 HE2 TYR 104 HE1 TYR 104 -9.451 -5.510 4.003 881 HH TYR 104 HH TYR 104 -8.706 -7.392 5.380 882 H ASP 105 H ASP 105 -6.465 1.534 7.230 883 HA ASP 105 HA ASP 105 -8.196 3.722 6.588 884 HB2 ASP 105 HB2 ASP 105 -6.417 3.813 8.346 885 HB3 ASP 105 HB3 ASP 105 -5.186 3.682 7.096 886 H VAL 106 H VAL 106 -8.746 4.131 4.447 887 HA VAL 106 HA VAL 106 -6.812 3.424 2.329 888 HB VAL 106 HB VAL 106 -9.821 3.953 2.007 889 HG11 VAL 106 HG11 VAL 106 -7.795 2.715 0.087 890 HG12 VAL 106 HG12 VAL 106 -8.535 4.309 -0.075 891 HG13 VAL 106 HG13 VAL 106 -9.530 2.861 -0.201 892 HG21 VAL 106 HG21 VAL 106 -10.048 1.498 1.826 893 HG22 VAL 106 HG22 VAL 106 -9.447 1.985 3.410 894 HG23 VAL 106 HG23 VAL 106 -8.335 1.309 2.218 895 H TYR 107 H TYR 107 -5.996 4.896 0.955 896 HA TYR 107 HA TYR 107 -7.052 7.666 0.870 897 HB2 TYR 107 HB2 TYR 107 -4.291 6.542 0.187 898 HB3 TYR 107 HB3 TYR 107 -4.792 8.186 -0.197 899 HD1 TYR 107 HD2 TYR 107 -4.035 5.855 2.609 900 HD2 TYR 107 HD1 TYR 107 -4.802 9.906 1.510 901 HE1 TYR 107 HE2 TYR 107 -3.314 6.602 4.840 902 HE2 TYR 107 HE1 TYR 107 -4.084 10.648 3.732 903 HH TYR 107 HH TYR 107 -3.801 9.842 5.936 904 H THR 108 H THR 108 -7.578 8.515 -1.123 905 HA THR 108 HA THR 108 -7.615 6.715 -3.473 906 HB THR 108 HB THR 108 -9.424 8.225 -4.343 907 HG1 THR 108 HG1 THR 108 -9.690 10.089 -3.402 908 HG21 THR 108 HG21 THR 108 -10.027 7.098 -1.576 909 HG22 THR 108 HG22 THR 108 -10.095 6.202 -3.096 910 HG23 THR 108 HG23 THR 108 -11.226 7.520 -2.802 911 H SER 109 H SER 109 -6.724 7.434 -5.403 912 HA SER 109 HA SER 109 -5.760 10.169 -5.696 913 HB2 SER 109 HB2 SER 109 -3.456 9.350 -6.406 914 HB3 SER 109 HB3 SER 109 -3.793 9.211 -4.685 915 HG SER 109 HG SER 109 -4.490 6.958 -5.334 916 H ARG 110 H ARG 110 -5.915 10.849 -7.712 917 HA ARG 110 HA ARG 110 -7.244 9.327 -9.706 918 HB2 ARG 110 HB2 ARG 110 -5.782 11.991 -9.885 919 HB3 ARG 110 HB3 ARG 110 -6.836 11.358 -11.135 920 HG2 ARG 110 HG2 ARG 110 -7.618 12.206 -8.328 921 HG3 ARG 110 HG3 ARG 110 -7.984 13.052 -9.831 922 HD2 ARG 110 HD2 ARG 110 -9.037 10.299 -9.103 923 HD3 ARG 110 HD3 ARG 110 -9.917 11.816 -8.883 924 HE ARG 110 HE ARG 110 -9.094 11.655 -11.548 925 HH11 ARG 110 HH11 ARG 110 -11.360 10.040 -9.372 926 HH12 ARG 110 HH12 ARG 110 -12.467 9.639 -10.662 927 HH21 ARG 110 HH21 ARG 110 -10.572 11.158 -13.192 928 HH22 ARG 110 HH22 ARG 110 -12.022 10.269 -12.795 929 H ASN 111 H ASN 111 -3.893 10.069 -9.058 930 HA ASN 111 HA ASN 111 -2.825 8.548 -11.269 931 HB2 ASN 111 HB2 ASN 111 -1.757 10.545 -12.390 932 HB3 ASN 111 HB3 ASN 111 -3.512 10.524 -12.523 933 HD21 ASN 111 HD21 ASN 111 -0.823 12.046 -10.919 934 HD22 ASN 111 HD22 ASN 111 -1.660 13.470 -10.423 935 H GLU 112 H GLU 112 -0.338 9.328 -11.463 936 HA GLU 112 HA GLU 112 0.889 8.278 -9.176 937 HB2 GLU 112 HB2 GLU 112 1.874 7.907 -11.316 938 HB3 GLU 112 HB3 GLU 112 1.971 9.618 -11.685 939 HG2 GLU 112 HG2 GLU 112 3.577 8.868 -9.321 940 HG3 GLU 112 HG3 GLU 112 4.062 7.992 -10.771 941 H ASP 113 H ASP 113 0.795 11.674 -10.296 942 HA ASP 113 HA ASP 113 2.499 12.823 -8.409 943 HB2 ASP 113 HB2 ASP 113 0.001 14.049 -9.648 944 HB3 ASP 113 HB3 ASP 113 1.240 14.962 -8.790 945 H GLU 114 H GLU 114 -0.983 12.173 -8.147 946 HA GLU 114 HA GLU 114 -1.323 13.338 -5.555 947 HB2 GLU 114 HB2 GLU 114 -3.055 11.364 -7.091 948 HB3 GLU 114 HB3 GLU 114 -3.537 12.140 -5.583 949 HG2 GLU 114 HG2 GLU 114 -3.188 14.373 -6.779 950 HG3 GLU 114 HG3 GLU 114 -3.056 13.439 -8.271 951 H ALA 115 H ALA 115 -0.894 10.023 -6.713 952 HA ALA 115 HA ALA 115 -1.224 8.622 -4.300 953 HB1 ALA 115 HB1 ALA 115 -0.107 6.768 -5.475 954 HB2 ALA 115 HB2 ALA 115 0.439 7.888 -6.731 955 HB3 ALA 115 HB3 ALA 115 -1.285 7.569 -6.515 956 H LYS 116 H LYS 116 1.508 10.236 -5.714 957 HA LYS 116 HA LYS 116 3.673 9.217 -4.240 958 HB2 LYS 116 HB2 LYS 116 3.867 10.476 -6.340 959 HB3 LYS 116 HB3 LYS 116 3.202 11.918 -5.584 960 HG2 LYS 116 HG2 LYS 116 5.188 12.199 -4.231 961 HG3 LYS 116 HG3 LYS 116 5.848 10.658 -4.792 962 HD2 LYS 116 HD2 LYS 116 5.286 13.087 -6.548 963 HD3 LYS 116 HD3 LYS 116 6.874 12.605 -5.956 964 HE2 LYS 116 HE2 LYS 116 6.777 10.546 -7.256 965 HE3 LYS 116 HE3 LYS 116 5.129 10.911 -7.777 966 HZ1 LYS 116 HZ1 LYS 116 7.520 12.561 -8.419 967 HZ2 LYS 116 HZ2 LYS 116 5.951 12.818 -8.989 968 HZ3 LYS 116 HZ3 LYS 116 6.807 11.446 -9.469 969 H LYS 117 H LYS 117 1.527 11.975 -3.694 970 HA LYS 117 HA LYS 117 2.843 12.956 -1.313 971 HB2 LYS 117 HB2 LYS 117 0.067 13.606 -2.416 972 HB3 LYS 117 HB3 LYS 117 0.956 14.542 -1.215 973 HG2 LYS 117 HG2 LYS 117 2.682 15.080 -2.922 974 HG3 LYS 117 HG3 LYS 117 1.776 14.145 -4.116 975 HD2 LYS 117 HD2 LYS 117 1.331 16.543 -4.385 976 HD3 LYS 117 HD3 LYS 117 -0.139 15.695 -3.894 977 HE2 LYS 117 HE2 LYS 117 0.157 17.847 -2.706 978 HE3 LYS 117 HE3 LYS 117 0.138 16.478 -1.594 979 HZ1 LYS 117 HZ1 LYS 117 2.586 17.839 -2.583 980 HZ2 LYS 117 HZ2 LYS 117 2.535 16.591 -1.451 981 HZ3 LYS 117 HZ3 LYS 117 1.881 18.099 -1.075 982 H LYS 118 H LYS 118 -0.070 11.106 -2.052 983 HA LYS 118 HA LYS 118 -1.115 10.896 0.581 984 HB2 LYS 118 HB2 LYS 118 -1.680 9.363 -1.980 985 HB3 LYS 118 HB3 LYS 118 -2.577 9.078 -0.491 986 HG2 LYS 118 HG2 LYS 118 -2.422 11.752 -1.933 987 HG3 LYS 118 HG3 LYS 118 -3.750 10.596 -2.087 988 HD2 LYS 118 HD2 LYS 118 -4.323 10.846 0.259 989 HD3 LYS 118 HD3 LYS 118 -2.901 11.847 0.558 990 HE2 LYS 118 HE2 LYS 118 -5.087 12.677 -1.371 991 HE3 LYS 118 HE3 LYS 118 -5.147 13.046 0.351 992 HZ1 LYS 118 HZ1 LYS 118 -4.226 14.844 -1.021 993 HZ2 LYS 118 HZ2 LYS 118 -2.929 13.849 -1.439 994 HZ3 LYS 118 HZ3 LYS 118 -3.153 14.308 0.170 995 H LEU 119 H LEU 119 1.263 9.044 -1.171 996 HA LEU 119 HA LEU 119 1.276 6.735 0.521 997 HB2 LEU 119 HB2 LEU 119 2.266 7.150 -1.919 998 HB3 LEU 119 HB3 LEU 119 3.716 7.598 -1.046 999 HG LEU 119 HG LEU 119 2.315 4.899 -0.831 1000 HD11 LEU 119 HD11 LEU 119 4.817 5.630 -2.386 1001 HD12 LEU 119 HD12 LEU 119 3.239 5.222 -3.066 1002 HD13 LEU 119 HD13 LEU 119 4.152 4.006 -2.182 1003 HD21 LEU 119 HD21 LEU 119 5.007 5.770 0.258 1004 HD22 LEU 119 HD22 LEU 119 4.342 4.137 0.314 1005 HD23 LEU 119 HD23 LEU 119 3.555 5.435 1.202 1006 H LYS 120 H LYS 120 3.165 9.740 0.374 1007 HA LYS 120 HA LYS 120 4.911 9.177 2.522 1008 HB2 LYS 120 HB2 LYS 120 4.038 11.841 1.351 1009 HB3 LYS 120 HB3 LYS 120 5.333 11.660 2.534 1010 HG2 LYS 120 HG2 LYS 120 6.562 10.201 0.913 1011 HG3 LYS 120 HG3 LYS 120 5.294 10.513 -0.283 1012 HD2 LYS 120 HD2 LYS 120 5.795 12.958 -0.137 1013 HD3 LYS 120 HD3 LYS 120 7.089 12.606 1.014 1014 HE2 LYS 120 HE2 LYS 120 8.244 11.265 -0.736 1015 HE3 LYS 120 HE3 LYS 120 6.970 11.695 -1.883 1016 HZ1 LYS 120 HZ1 LYS 120 7.576 14.068 -1.488 1017 HZ2 LYS 120 HZ2 LYS 120 8.808 13.165 -2.203 1018 HZ3 LYS 120 HZ3 LYS 120 8.890 13.548 -0.562 1019 H GLU 121 H GLU 121 1.626 10.501 2.498 1020 HA GLU 121 HA GLU 121 1.321 11.426 5.106 1021 HB2 GLU 121 HB2 GLU 121 -0.685 9.703 3.585 1022 HB3 GLU 121 HB3 GLU 121 -1.064 10.749 4.951 1023 HG2 GLU 121 HG2 GLU 121 -0.083 11.640 2.232 1024 HG3 GLU 121 HG3 GLU 121 -1.741 11.738 2.816 1025 H ALA 122 H ALA 122 1.119 8.092 3.923 1026 HA ALA 122 HA ALA 122 0.579 6.835 6.440 1027 HB1 ALA 122 HB1 ALA 122 0.909 4.742 5.188 1028 HB2 ALA 122 HB2 ALA 122 1.582 5.654 3.830 1029 HB3 ALA 122 HB3 ALA 122 -0.108 5.867 4.288 1030 H LEU 123 H LEU 123 3.526 7.449 4.553 1031 HA LEU 123 HA LEU 123 5.378 6.024 6.151 1032 HB2 LEU 123 HB2 LEU 123 5.771 8.520 4.449 1033 HB3 LEU 123 HB3 LEU 123 7.097 7.613 5.165 1034 HG LEU 123 HG LEU 123 5.144 6.511 3.095 1035 HD11 LEU 123 HD11 LEU 123 8.043 7.342 2.732 1036 HD12 LEU 123 HD12 LEU 123 6.628 8.187 2.098 1037 HD13 LEU 123 HD13 LEU 123 7.022 6.571 1.513 1038 HD21 LEU 123 HD21 LEU 123 5.949 4.735 4.564 1039 HD22 LEU 123 HD22 LEU 123 7.621 5.230 4.302 1040 HD23 LEU 123 HD23 LEU 123 6.675 4.576 2.964 1041 H GLU 124 H GLU 124 4.048 9.276 6.414 1042 HA GLU 124 HA GLU 124 5.657 10.194 8.586 1043 HB2 GLU 124 HB2 GLU 124 2.998 11.148 7.440 1044 HB3 GLU 124 HB3 GLU 124 3.804 11.974 8.773 1045 HG2 GLU 124 HG2 GLU 124 5.744 12.449 7.368 1046 HG3 GLU 124 HG3 GLU 124 5.045 11.524 6.041 1047 H LYS 125 H LYS 125 2.540 8.513 8.406 1048 HA LYS 125 HA LYS 125 1.834 8.710 11.168 1049 HB2 LYS 125 HB2 LYS 125 0.981 6.747 8.989 1050 HB3 LYS 125 HB3 LYS 125 0.321 6.697 10.623 1051 HG2 LYS 125 HG2 LYS 125 -0.543 9.014 10.328 1052 HG3 LYS 125 HG3 LYS 125 0.060 9.010 8.665 1053 HD2 LYS 125 HD2 LYS 125 -1.446 7.172 8.069 1054 HD3 LYS 125 HD3 LYS 125 -1.955 6.995 9.750 1055 HE2 LYS 125 HE2 LYS 125 -2.982 9.244 9.674 1056 HE3 LYS 125 HE3 LYS 125 -2.475 9.414 7.993 1057 HZ1 LYS 125 HZ1 LYS 125 -4.808 8.731 8.208 1058 HZ2 LYS 125 HZ2 LYS 125 -4.338 7.312 8.985 1059 HZ3 LYS 125 HZ3 LYS 125 -3.901 7.574 7.375 1060 H SER 126 H SER 126 3.814 6.466 9.350 1061 HA SER 126 HA SER 126 4.081 4.528 11.498 1062 HB2 SER 126 HB2 SER 126 5.630 3.417 9.834 1063 HB3 SER 126 HB3 SER 126 3.993 3.695 9.246 1064 HG SER 126 HG SER 126 4.746 4.973 7.778 1065 H GLY 127 H GLY 127 5.667 7.426 10.608 1066 HA2 GLY 127 HA2 GLY 127 7.057 8.487 12.245 1067 HA3 GLY 127 HA3 GLY 127 7.742 6.928 12.671 1068 H SER 128 H SER 128 7.601 6.976 9.349 1069 HA SER 128 HA SER 128 10.329 7.825 8.940 1070 HB2 SER 128 HB2 SER 128 8.147 7.183 6.899 1071 HB3 SER 128 HB3 SER 128 9.868 7.350 6.542 1072 HG SER 128 HG SER 128 10.176 5.384 7.227 1073 H LEU 129 H LEU 129 10.039 9.893 9.938 1074 HA LEU 129 HA LEU 129 8.610 12.003 8.446 1075 HB2 LEU 129 HB2 LEU 129 9.909 11.941 11.208 1076 HB3 LEU 129 HB3 LEU 129 9.193 13.384 10.508 1077 HG LEU 129 HG LEU 129 7.630 10.834 11.078 1078 HD11 LEU 129 HD11 LEU 129 6.685 11.993 13.030 1079 HD12 LEU 129 HD12 LEU 129 7.775 13.358 12.774 1080 HD13 LEU 129 HD13 LEU 129 8.426 11.773 13.200 1081 HD21 LEU 129 HD21 LEU 129 6.657 12.215 9.312 1082 HD22 LEU 129 HD22 LEU 129 6.694 13.632 10.365 1083 HD23 LEU 129 HD23 LEU 129 5.653 12.261 10.760 1084 H GLU 130 H GLU 130 9.715 13.620 7.404 1085 HA GLU 130 HA GLU 130 12.675 13.739 7.647 1086 HB2 GLU 130 HB2 GLU 130 11.685 13.366 5.327 1087 HB3 GLU 130 HB3 GLU 130 10.933 14.957 5.449 1088 HG2 GLU 130 HG2 GLU 130 13.421 15.773 5.931 1089 HG3 GLU 130 HG3 GLU 130 13.860 14.245 5.173 1090 H HIS 131 H HIS 131 13.646 15.736 8.000 1091 HA HIS 131 HA HIS 131 11.956 18.045 8.789 1092 HB2 HIS 131 HB2 HIS 131 13.587 18.411 10.693 1093 HB3 HIS 131 HB3 HIS 131 12.617 16.952 10.850 1094 HD2 HIS 131 HD2 HIS 131 16.336 18.009 10.420 1095 HE1 HIS 131 HE1 HIS 131 16.143 13.803 10.860 1096 HE2 HIS 131 HE2 HIS 131 17.633 15.842 11.018 1097 H HIS 132 H HIS 132 13.964 17.127 6.488 1098 HA HIS 132 HA HIS 132 16.115 19.050 6.716 1099 HB2 HIS 132 HB2 HIS 132 16.417 16.770 5.667 1100 HB3 HIS 132 HB3 HIS 132 15.420 17.292 4.312 1101 HD2 HIS 132 HD2 HIS 132 16.734 18.873 2.428 1102 HE1 HIS 132 HE1 HIS 132 20.447 19.022 4.442 1103 HE2 HIS 132 HE2 HIS 132 19.155 19.793 2.413 1104 H HIS 133 H HIS 133 13.535 18.514 4.264 1105 HA HIS 133 HA HIS 133 13.831 21.243 3.247 1106 HB2 HIS 133 HB2 HIS 133 11.903 19.063 2.325 1107 HB3 HIS 133 HB3 HIS 133 12.319 20.541 1.461 1108 HD1 HIS 133 HD1 HIS 133 13.246 17.042 1.767 1109 HD2 HIS 133 HD2 HIS 133 15.152 20.531 0.567 1110 HE1 HIS 133 HE1 HIS 133 15.276 16.289 0.496 1111 HE2 HIS 133 HE2 HIS 133 16.282 18.413 -0.403 1112 H HIS 134 H HIS 134 13.198 21.912 5.496 1113 HA HIS 134 HA HIS 134 10.467 21.673 6.384 1114 HB2 HIS 134 HB2 HIS 134 12.324 21.875 7.978 1115 HB3 HIS 134 HB3 HIS 134 12.765 23.442 7.324 1116 HD1 HIS 134 HD1 HIS 134 12.102 25.242 8.888 1117 HD2 HIS 134 HD2 HIS 134 9.404 22.078 8.997 1118 HE1 HIS 134 HE1 HIS 134 10.319 25.932 10.516 1119 HE2 HIS 134 HE2 HIS 134 8.630 24.071 10.457 1120 H HIS 135 H HIS 135 12.212 23.859 4.357 1121 HA HIS 135 HA HIS 135 9.757 25.459 3.921 1122 HB2 HIS 135 HB2 HIS 135 12.674 26.366 3.777 1123 HB3 HIS 135 HB3 HIS 135 11.349 27.291 3.076 1124 HD1 HIS 135 HD1 HIS 135 10.372 29.011 4.590 1125 HD2 HIS 135 HD2 HIS 135 12.274 25.997 6.729 1126 HE1 HIS 135 HE1 HIS 135 10.305 29.741 6.988 1127 HE2 HIS 135 HE2 HIS 135 11.631 28.002 8.236 1128 H HIS 136 H HIS 136 12.841 24.473 2.349 1129 HA HIS 136 HA HIS 136 11.479 23.354 0.047 1130 HB2 HIS 136 HB2 HIS 136 11.528 25.806 -0.507 1131 HB3 HIS 136 HB3 HIS 136 13.281 25.796 -0.378 1132 HD1 HIS 136 HD1 HIS 136 14.568 25.146 -2.491 1133 HD2 HIS 136 HD2 HIS 136 10.515 24.252 -2.758 1134 HE1 HIS 136 HE1 HIS 136 14.188 24.416 -4.871 1135 HE2 HIS 136 HE2 HIS 136 11.769 23.736 -4.952 Start of MODEL 6 1 H1 MET 1 H1 MET 1 5.577 -0.464 17.805 2 H2 MET 1 H2 MET 1 6.070 0.572 16.565 3 H3 MET 1 H3 MET 1 6.654 -1.010 16.621 4 HA MET 1 HA MET 1 4.491 -1.895 16.211 5 HB2 MET 1 HB2 MET 1 3.605 1.024 16.020 6 HB3 MET 1 HB3 MET 1 2.610 -0.363 15.581 7 HG2 MET 1 HG2 MET 1 1.950 0.434 17.759 8 HG3 MET 1 HG3 MET 1 2.714 -1.146 17.936 9 HE1 MET 1 HE1 MET 1 2.946 -0.590 20.650 10 HE2 MET 1 HE2 MET 1 2.161 0.954 20.312 11 HE3 MET 1 HE3 MET 1 3.669 0.911 21.223 12 H GLY 2 H GLY 2 4.483 -2.661 14.179 13 HA2 GLY 2 HA2 GLY 2 5.989 -1.332 12.068 14 HA3 GLY 2 HA3 GLY 2 5.233 -2.920 11.996 15 H VAL 3 H VAL 3 5.058 -1.136 9.892 16 HA VAL 3 HA VAL 3 2.162 -0.534 9.773 17 HB VAL 3 HB VAL 3 4.420 1.359 8.917 18 HG11 VAL 3 HG11 VAL 3 2.655 1.410 7.210 19 HG12 VAL 3 HG12 VAL 3 2.683 2.919 8.121 20 HG13 VAL 3 HG13 VAL 3 1.437 1.712 8.453 21 HG21 VAL 3 HG21 VAL 3 3.399 2.962 10.514 22 HG22 VAL 3 HG22 VAL 3 3.940 1.489 11.317 23 HG23 VAL 3 HG23 VAL 3 2.226 1.733 10.988 24 H VAL 4 H VAL 4 1.260 -1.097 7.798 25 HA VAL 4 HA VAL 4 3.060 -1.911 5.578 26 HB VAL 4 HB VAL 4 0.455 -3.328 6.350 27 HG11 VAL 4 HG11 VAL 4 0.905 -3.419 3.942 28 HG12 VAL 4 HG12 VAL 4 1.119 -5.012 4.666 29 HG13 VAL 4 HG13 VAL 4 2.532 -4.041 4.246 30 HG21 VAL 4 HG21 VAL 4 2.202 -3.812 8.025 31 HG22 VAL 4 HG22 VAL 4 3.301 -4.328 6.746 32 HG23 VAL 4 HG23 VAL 4 1.827 -5.245 7.067 33 H ILE 5 H ILE 5 2.738 -0.493 3.997 34 HA ILE 5 HA ILE 5 0.134 0.844 3.597 35 HB ILE 5 HB ILE 5 2.886 1.542 2.447 36 HG12 ILE 5 HG12 ILE 5 1.433 2.913 4.760 37 HG13 ILE 5 HG13 ILE 5 2.777 1.796 4.951 38 HG21 ILE 5 HG21 ILE 5 1.880 3.705 1.805 39 HG22 ILE 5 HG22 ILE 5 0.315 3.163 2.410 40 HG23 ILE 5 HG23 ILE 5 1.051 2.353 1.027 41 HD11 ILE 5 HD11 ILE 5 2.897 4.473 3.562 42 HD12 ILE 5 HD12 ILE 5 4.243 3.346 3.761 43 HD13 ILE 5 HD13 ILE 5 3.498 4.090 5.175 44 H LEU 6 H LEU 6 -1.079 -0.394 2.211 45 HA LEU 6 HA LEU 6 0.106 -1.837 -0.051 46 HB2 LEU 6 HB2 LEU 6 -2.781 -1.763 0.857 47 HB3 LEU 6 HB3 LEU 6 -2.064 -2.927 -0.232 48 HG LEU 6 HG LEU 6 -1.447 -2.660 2.730 49 HD11 LEU 6 HD11 LEU 6 -2.660 -4.774 2.970 50 HD12 LEU 6 HD12 LEU 6 -3.114 -4.719 1.264 51 HD13 LEU 6 HD13 LEU 6 -3.698 -3.478 2.379 52 HD21 LEU 6 HD21 LEU 6 0.474 -3.486 1.484 53 HD22 LEU 6 HD22 LEU 6 -0.523 -4.732 0.726 54 HD23 LEU 6 HD23 LEU 6 -0.233 -4.764 2.467 55 H VAL 7 H VAL 7 0.454 -0.437 -1.729 56 HA VAL 7 HA VAL 7 -1.613 1.553 -2.422 57 HB VAL 7 HB VAL 7 1.243 1.288 -3.478 58 HG11 VAL 7 HG11 VAL 7 -0.763 3.557 -3.797 59 HG12 VAL 7 HG12 VAL 7 -0.253 2.444 -5.067 60 HG13 VAL 7 HG13 VAL 7 0.908 3.572 -4.368 61 HG21 VAL 7 HG21 VAL 7 1.225 1.828 -1.072 62 HG22 VAL 7 HG22 VAL 7 0.156 3.200 -1.377 63 HG23 VAL 7 HG23 VAL 7 1.796 3.197 -2.029 64 H LEU 8 H LEU 8 -3.136 0.602 -3.625 65 HA LEU 8 HA LEU 8 -2.591 -1.388 -5.686 66 HB2 LEU 8 HB2 LEU 8 -5.174 -0.049 -4.740 67 HB3 LEU 8 HB3 LEU 8 -5.115 -1.202 -6.060 68 HG LEU 8 HG LEU 8 -4.257 -2.933 -4.401 69 HD11 LEU 8 HD11 LEU 8 -5.050 -0.888 -2.321 70 HD12 LEU 8 HD12 LEU 8 -3.414 -1.462 -2.654 71 HD13 LEU 8 HD13 LEU 8 -4.622 -2.574 -2.013 72 HD21 LEU 8 HD21 LEU 8 -7.014 -1.787 -3.876 73 HD22 LEU 8 HD22 LEU 8 -6.473 -3.417 -3.460 74 HD23 LEU 8 HD23 LEU 8 -6.582 -2.930 -5.151 75 H THR 9 H THR 9 -1.752 -0.561 -7.554 76 HA THR 9 HA THR 9 -2.485 2.172 -8.416 77 HB THR 9 HB THR 9 -0.398 2.009 -9.828 78 HG1 THR 9 HG1 THR 9 0.530 0.116 -10.008 79 HG21 THR 9 HG21 THR 9 1.237 2.257 -7.995 80 HG22 THR 9 HG22 THR 9 0.072 1.569 -6.859 81 HG23 THR 9 HG23 THR 9 -0.258 3.122 -7.635 82 H GLY 10 H GLY 10 -3.356 2.537 -10.377 83 HA2 GLY 10 HA2 GLY 10 -4.759 0.465 -11.753 84 HA3 GLY 10 HA3 GLY 10 -4.675 2.158 -12.204 85 H ASP 11 H ASP 11 -1.615 1.751 -12.109 86 HA ASP 11 HA ASP 11 -1.183 0.077 -14.499 87 HB2 ASP 11 HB2 ASP 11 -1.213 2.375 -15.315 88 HB3 ASP 11 HB3 ASP 11 -0.123 2.895 -14.041 89 H GLU 12 H GLU 12 0.705 -1.050 -14.497 90 HA GLU 12 HA GLU 12 1.716 -1.866 -11.993 91 HB2 GLU 12 HB2 GLU 12 1.514 -3.309 -14.034 92 HB3 GLU 12 HB3 GLU 12 2.824 -2.403 -14.779 93 HG2 GLU 12 HG2 GLU 12 3.804 -4.405 -13.987 94 HG3 GLU 12 HG3 GLU 12 4.300 -3.162 -12.845 95 H ARG 13 H ARG 13 3.056 0.259 -14.502 96 HA ARG 13 HA ARG 13 5.732 0.284 -13.421 97 HB2 ARG 13 HB2 ARG 13 5.123 0.447 -15.871 98 HB3 ARG 13 HB3 ARG 13 4.548 2.076 -15.579 99 HG2 ARG 13 HG2 ARG 13 7.395 1.353 -14.880 100 HG3 ARG 13 HG3 ARG 13 6.963 1.646 -16.561 101 HD2 ARG 13 HD2 ARG 13 6.185 3.908 -15.969 102 HD3 ARG 13 HD3 ARG 13 6.595 3.617 -14.277 103 HE ARG 13 HE ARG 13 8.943 3.164 -15.498 104 HH11 ARG 13 HH11 ARG 13 6.706 5.875 -15.781 105 HH12 ARG 13 HH12 ARG 13 7.957 7.018 -16.145 106 HH21 ARG 13 HH21 ARG 13 10.555 4.677 -15.963 107 HH22 ARG 13 HH22 ARG 13 10.142 6.333 -16.247 108 H ILE 14 H ILE 14 2.875 2.344 -13.175 109 HA ILE 14 HA ILE 14 3.994 4.631 -11.958 110 HB ILE 14 HB ILE 14 1.215 3.408 -11.629 111 HG12 ILE 14 HG12 ILE 14 2.219 5.786 -13.263 112 HG13 ILE 14 HG13 ILE 14 1.725 4.225 -13.902 113 HG21 ILE 14 HG21 ILE 14 1.648 4.743 -9.609 114 HG22 ILE 14 HG22 ILE 14 0.458 5.555 -10.626 115 HG23 ILE 14 HG23 ILE 14 2.128 6.123 -10.596 116 HD11 ILE 14 HD11 ILE 14 -0.070 6.243 -12.558 117 HD12 ILE 14 HD12 ILE 14 -0.573 4.663 -13.166 118 HD13 ILE 14 HD13 ILE 14 0.025 5.888 -14.284 119 H ALA 15 H ALA 15 3.080 1.488 -10.624 120 HA ALA 15 HA ALA 15 3.399 1.939 -7.890 121 HB1 ALA 15 HB1 ALA 15 4.032 -0.584 -9.452 122 HB2 ALA 15 HB2 ALA 15 2.451 -0.124 -8.824 123 HB3 ALA 15 HB3 ALA 15 3.765 -0.487 -7.707 124 H GLU 16 H GLU 16 5.846 1.220 -10.362 125 HA GLU 16 HA GLU 16 8.114 1.047 -8.626 126 HB2 GLU 16 HB2 GLU 16 8.162 -0.004 -10.834 127 HB3 GLU 16 HB3 GLU 16 7.891 1.547 -11.624 128 HG2 GLU 16 HG2 GLU 16 10.104 2.331 -10.775 129 HG3 GLU 16 HG3 GLU 16 10.378 0.742 -10.071 130 H GLU 17 H GLU 17 6.623 3.697 -10.482 131 HA GLU 17 HA GLU 17 8.687 5.631 -10.195 132 HB2 GLU 17 HB2 GLU 17 5.695 6.032 -10.612 133 HB3 GLU 17 HB3 GLU 17 6.921 7.284 -10.829 134 HG2 GLU 17 HG2 GLU 17 7.941 5.979 -12.651 135 HG3 GLU 17 HG3 GLU 17 6.738 4.709 -12.417 136 H LEU 18 H LEU 18 5.775 4.960 -8.312 137 HA LEU 18 HA LEU 18 6.063 6.955 -6.322 138 HB2 LEU 18 HB2 LEU 18 4.720 4.224 -6.121 139 HB3 LEU 18 HB3 LEU 18 4.500 5.547 -4.986 140 HG LEU 18 HG LEU 18 3.639 5.572 -7.903 141 HD11 LEU 18 HD11 LEU 18 1.967 5.341 -5.385 142 HD12 LEU 18 HD12 LEU 18 2.285 4.055 -6.553 143 HD13 LEU 18 HD13 LEU 18 1.351 5.468 -7.036 144 HD21 LEU 18 HD21 LEU 18 4.256 7.823 -7.164 145 HD22 LEU 18 HD22 LEU 18 3.208 7.673 -5.751 146 HD23 LEU 18 HD23 LEU 18 2.510 7.695 -7.373 147 H ARG 19 H ARG 19 7.133 3.585 -6.568 148 HA ARG 19 HA ARG 19 8.201 3.099 -4.054 149 HB2 ARG 19 HB2 ARG 19 7.929 1.358 -5.794 150 HB3 ARG 19 HB3 ARG 19 9.216 2.089 -6.748 151 HG2 ARG 19 HG2 ARG 19 10.793 1.623 -4.840 152 HG3 ARG 19 HG3 ARG 19 9.479 0.757 -4.043 153 HD2 ARG 19 HD2 ARG 19 10.753 -0.917 -5.084 154 HD3 ARG 19 HD3 ARG 19 9.378 -0.696 -6.164 155 HE ARG 19 HE ARG 19 10.978 0.822 -7.460 156 HH11 ARG 19 HH11 ARG 19 12.040 -2.021 -5.686 157 HH12 ARG 19 HH12 ARG 19 13.425 -2.285 -6.694 158 HH21 ARG 19 HH21 ARG 19 12.843 0.471 -8.755 159 HH22 ARG 19 HH22 ARG 19 13.872 -0.880 -8.419 160 H LYS 20 H LYS 20 9.805 4.434 -6.922 161 HA LYS 20 HA LYS 20 12.417 4.672 -5.978 162 HB2 LYS 20 HB2 LYS 20 10.903 6.354 -8.012 163 HB3 LYS 20 HB3 LYS 20 12.642 6.469 -7.753 164 HG2 LYS 20 HG2 LYS 20 12.943 4.155 -8.503 165 HG3 LYS 20 HG3 LYS 20 11.194 3.964 -8.674 166 HD2 LYS 20 HD2 LYS 20 12.271 4.382 -10.869 167 HD3 LYS 20 HD3 LYS 20 11.147 5.674 -10.440 168 HE2 LYS 20 HE2 LYS 20 13.075 7.069 -9.698 169 HE3 LYS 20 HE3 LYS 20 14.177 5.781 -10.179 170 HZ1 LYS 20 HZ1 LYS 20 13.474 6.044 -12.451 171 HZ2 LYS 20 HZ2 LYS 20 13.981 7.538 -11.852 172 HZ3 LYS 20 HZ3 LYS 20 12.333 7.208 -12.022 173 H GLU 21 H GLU 21 9.638 6.825 -5.689 174 HA GLU 21 HA GLU 21 11.096 9.028 -4.575 175 HB2 GLU 21 HB2 GLU 21 8.871 9.050 -5.952 176 HB3 GLU 21 HB3 GLU 21 8.078 8.702 -4.426 177 HG2 GLU 21 HG2 GLU 21 9.815 11.126 -4.990 178 HG3 GLU 21 HG3 GLU 21 8.061 11.112 -5.035 179 H VAL 22 H VAL 22 9.119 6.364 -3.250 180 HA VAL 22 HA VAL 22 9.037 7.054 -0.534 181 HB VAL 22 HB VAL 22 9.287 4.279 -1.803 182 HG11 VAL 22 HG11 VAL 22 9.888 4.117 0.566 183 HG12 VAL 22 HG12 VAL 22 8.312 3.374 0.291 184 HG13 VAL 22 HG13 VAL 22 8.416 4.976 1.026 185 HG21 VAL 22 HG21 VAL 22 6.838 4.158 -1.549 186 HG22 VAL 22 HG22 VAL 22 7.312 5.520 -2.564 187 HG23 VAL 22 HG23 VAL 22 6.822 5.799 -0.895 188 H GLN 23 H GLN 23 11.565 5.525 -2.443 189 HA GLN 23 HA GLN 23 13.404 4.928 -0.342 190 HB2 GLN 23 HB2 GLN 23 13.885 5.285 -3.337 191 HB3 GLN 23 HB3 GLN 23 15.009 4.529 -2.208 192 HG2 GLN 23 HG2 GLN 23 13.501 2.689 -1.817 193 HG3 GLN 23 HG3 GLN 23 12.208 3.481 -2.710 194 HE21 GLN 23 HE21 GLN 23 13.343 0.830 -3.125 195 HE22 GLN 23 HE22 GLN 23 13.934 0.804 -4.749 196 H LYS 24 H LYS 24 12.798 7.775 -2.312 197 HA LYS 24 HA LYS 24 15.173 9.249 -1.583 198 HB2 LYS 24 HB2 LYS 24 12.540 10.197 -2.802 199 HB3 LYS 24 HB3 LYS 24 13.996 11.182 -2.661 200 HG2 LYS 24 HG2 LYS 24 15.189 9.705 -4.195 201 HG3 LYS 24 HG3 LYS 24 13.799 8.619 -4.273 202 HD2 LYS 24 HD2 LYS 24 12.452 10.443 -5.303 203 HD3 LYS 24 HD3 LYS 24 13.864 11.504 -5.250 204 HE2 LYS 24 HE2 LYS 24 13.667 8.905 -6.811 205 HE3 LYS 24 HE3 LYS 24 13.547 10.528 -7.492 206 HZ1 LYS 24 HZ1 LYS 24 15.814 10.959 -6.757 207 HZ2 LYS 24 HZ2 LYS 24 15.753 9.620 -7.787 208 HZ3 LYS 24 HZ3 LYS 24 15.930 9.399 -6.121 209 H HIS 25 H HIS 25 11.836 9.049 -0.452 210 HA HIS 25 HA HIS 25 11.904 11.282 1.336 211 HB2 HIS 25 HB2 HIS 25 9.789 10.337 0.374 212 HB3 HIS 25 HB3 HIS 25 10.017 8.870 1.317 213 HD2 HIS 25 HD2 HIS 25 9.688 9.267 4.180 214 HE1 HIS 25 HE1 HIS 25 7.499 12.837 3.608 215 HE2 HIS 25 HE2 HIS 25 7.952 10.905 5.178 216 H ASP 26 H ASP 26 12.205 7.750 1.780 217 HA ASP 26 HA ASP 26 13.777 8.141 4.208 218 HB2 ASP 26 HB2 ASP 26 11.382 8.055 4.961 219 HB3 ASP 26 HB3 ASP 26 11.227 6.460 4.233 220 HA PRO 27 HA PRO 27 15.687 4.685 2.041 221 HB2 PRO 27 HB2 PRO 27 18.027 4.591 3.377 222 HB3 PRO 27 HB3 PRO 27 17.596 6.007 2.394 223 HG2 PRO 27 HG2 PRO 27 17.455 5.677 5.369 224 HG3 PRO 27 HG3 PRO 27 18.008 7.072 4.417 225 HD2 PRO 27 HD2 PRO 27 15.456 6.824 5.527 226 HD3 PRO 27 HD3 PRO 27 15.878 7.906 4.181 227 H ASN 28 H ASN 28 14.579 4.554 5.287 228 HA ASN 28 HA ASN 28 15.607 1.896 5.942 229 HB2 ASN 28 HB2 ASN 28 13.511 3.467 7.514 230 HB3 ASN 28 HB3 ASN 28 14.543 2.166 8.097 231 HD21 ASN 28 HD21 ASN 28 14.340 5.540 7.364 232 HD22 ASN 28 HD22 ASN 28 15.851 5.995 8.064 233 H VAL 29 H VAL 29 12.618 3.412 4.850 234 HA VAL 29 HA VAL 29 10.835 1.238 5.111 235 HB VAL 29 HB VAL 29 10.756 3.400 2.943 236 HG11 VAL 29 HG11 VAL 29 8.524 1.630 4.024 237 HG12 VAL 29 HG12 VAL 29 9.257 1.514 2.422 238 HG13 VAL 29 HG13 VAL 29 8.315 2.940 2.858 239 HG21 VAL 29 HG21 VAL 29 9.457 3.407 5.680 240 HG22 VAL 29 HG22 VAL 29 9.223 4.629 4.428 241 HG23 VAL 29 HG23 VAL 29 10.805 4.416 5.167 242 H LYS 30 H LYS 30 10.565 -0.568 3.918 243 HA LYS 30 HA LYS 30 11.948 -0.823 1.317 244 HB2 LYS 30 HB2 LYS 30 11.361 -2.899 3.427 245 HB3 LYS 30 HB3 LYS 30 11.582 -3.369 1.737 246 HG2 LYS 30 HG2 LYS 30 13.772 -2.024 1.824 247 HG3 LYS 30 HG3 LYS 30 13.571 -2.031 3.577 248 HD2 LYS 30 HD2 LYS 30 13.639 -4.528 1.864 249 HD3 LYS 30 HD3 LYS 30 15.040 -3.826 2.644 250 HE2 LYS 30 HE2 LYS 30 14.028 -4.186 4.852 251 HE3 LYS 30 HE3 LYS 30 12.565 -4.814 4.090 252 HZ1 LYS 30 HZ1 LYS 30 13.990 -6.575 3.101 253 HZ2 LYS 30 HZ2 LYS 30 13.860 -6.638 4.778 254 HZ3 LYS 30 HZ3 LYS 30 15.267 -6.034 4.067 255 H THR 31 H THR 31 10.869 -2.250 -0.201 256 HA THR 31 HA THR 31 7.940 -1.804 -0.247 257 HB THR 31 HB THR 31 8.294 -1.003 -2.692 258 HG1 THR 31 HG1 THR 31 10.886 -0.306 -1.760 259 HG21 THR 31 HG21 THR 31 8.745 1.349 -2.058 260 HG22 THR 31 HG22 THR 31 9.290 0.821 -0.465 261 HG23 THR 31 HG23 THR 31 7.607 0.595 -0.939 262 H VAL 32 H VAL 32 6.809 -3.277 -1.516 263 HA VAL 32 HA VAL 32 8.331 -5.543 -2.671 264 HB VAL 32 HB VAL 32 5.779 -5.750 -0.998 265 HG11 VAL 32 HG11 VAL 32 6.052 -8.195 -1.206 266 HG12 VAL 32 HG12 VAL 32 7.436 -7.956 -2.273 267 HG13 VAL 32 HG13 VAL 32 5.828 -7.438 -2.785 268 HG21 VAL 32 HG21 VAL 32 7.743 -5.304 0.419 269 HG22 VAL 32 HG22 VAL 32 8.598 -6.664 -0.311 270 HG23 VAL 32 HG23 VAL 32 7.155 -6.950 0.665 271 HA PRO 33 HA PRO 33 5.532 -4.357 -6.130 272 HB2 PRO 33 HB2 PRO 33 6.801 -5.887 -8.040 273 HB3 PRO 33 HB3 PRO 33 7.403 -4.301 -7.519 274 HG2 PRO 33 HG2 PRO 33 8.298 -7.028 -6.644 275 HG3 PRO 33 HG3 PRO 33 9.279 -5.613 -7.090 276 HD2 PRO 33 HD2 PRO 33 8.811 -6.265 -4.503 277 HD3 PRO 33 HD3 PRO 33 8.971 -4.574 -5.030 278 H THR 34 H THR 34 4.335 -5.745 -7.779 279 HA THR 34 HA THR 34 2.629 -7.506 -6.348 280 HB THR 34 HB THR 34 1.384 -7.716 -8.461 281 HG1 THR 34 HG1 THR 34 2.589 -6.261 -10.199 282 HG21 THR 34 HG21 THR 34 2.444 -4.888 -8.092 283 HG22 THR 34 HG22 THR 34 1.080 -5.601 -7.227 284 HG23 THR 34 HG23 THR 34 0.979 -5.335 -8.966 285 H LYS 35 H LYS 35 5.257 -8.072 -8.631 286 HA LYS 35 HA LYS 35 4.724 -10.800 -9.202 287 HB2 LYS 35 HB2 LYS 35 7.026 -10.856 -10.159 288 HB3 LYS 35 HB3 LYS 35 6.066 -9.506 -10.730 289 HG2 LYS 35 HG2 LYS 35 8.137 -8.516 -10.420 290 HG3 LYS 35 HG3 LYS 35 7.328 -8.122 -8.903 291 HD2 LYS 35 HD2 LYS 35 8.516 -9.940 -7.762 292 HD3 LYS 35 HD3 LYS 35 9.239 -10.464 -9.284 293 HE2 LYS 35 HE2 LYS 35 10.497 -8.367 -9.434 294 HE3 LYS 35 HE3 LYS 35 9.729 -7.779 -7.958 295 HZ1 LYS 35 HZ1 LYS 35 11.961 -8.670 -7.579 296 HZ2 LYS 35 HZ2 LYS 35 11.459 -10.182 -8.123 297 HZ3 LYS 35 HZ3 LYS 35 10.787 -9.532 -6.720 298 H ASP 36 H ASP 36 6.163 -9.253 -6.483 299 HA ASP 36 HA ASP 36 7.211 -11.758 -5.357 300 HB2 ASP 36 HB2 ASP 36 7.259 -8.869 -4.400 301 HB3 ASP 36 HB3 ASP 36 7.790 -10.201 -3.382 302 H LYS 37 H LYS 37 4.460 -11.766 -5.887 303 HA LYS 37 HA LYS 37 2.711 -10.898 -3.907 304 HB2 LYS 37 HB2 LYS 37 1.967 -11.663 -6.117 305 HB3 LYS 37 HB3 LYS 37 2.504 -13.296 -5.762 306 HG2 LYS 37 HG2 LYS 37 0.125 -13.271 -5.621 307 HG3 LYS 37 HG3 LYS 37 0.737 -13.441 -3.982 308 HD2 LYS 37 HD2 LYS 37 -0.097 -10.734 -5.081 309 HD3 LYS 37 HD3 LYS 37 -1.282 -11.859 -4.428 310 HE2 LYS 37 HE2 LYS 37 1.037 -10.616 -2.930 311 HE3 LYS 37 HE3 LYS 37 -0.673 -10.249 -2.730 312 HZ1 LYS 37 HZ1 LYS 37 -0.012 -11.693 -0.981 313 HZ2 LYS 37 HZ2 LYS 37 0.696 -12.792 -2.046 314 HZ3 LYS 37 HZ3 LYS 37 -0.981 -12.598 -2.027 315 H GLU 38 H GLU 38 4.317 -14.078 -4.177 316 HA GLU 38 HA GLU 38 3.105 -15.257 -1.860 317 HB2 GLU 38 HB2 GLU 38 5.742 -15.996 -3.220 318 HB3 GLU 38 HB3 GLU 38 4.784 -17.033 -2.158 319 HG2 GLU 38 HG2 GLU 38 2.925 -16.981 -3.838 320 HG3 GLU 38 HG3 GLU 38 3.966 -16.041 -4.907 321 H LYS 39 H LYS 39 5.930 -13.393 -2.554 322 HA LYS 39 HA LYS 39 7.432 -13.897 -0.199 323 HB2 LYS 39 HB2 LYS 39 8.211 -13.161 -2.578 324 HB3 LYS 39 HB3 LYS 39 7.792 -11.531 -2.070 325 HG2 LYS 39 HG2 LYS 39 9.365 -11.955 -0.070 326 HG3 LYS 39 HG3 LYS 39 9.910 -13.367 -0.983 327 HD2 LYS 39 HD2 LYS 39 10.585 -11.889 -2.863 328 HD3 LYS 39 HD3 LYS 39 10.018 -10.482 -1.959 329 HE2 LYS 39 HE2 LYS 39 12.441 -10.636 -1.784 330 HE3 LYS 39 HE3 LYS 39 11.726 -10.961 -0.205 331 HZ1 LYS 39 HZ1 LYS 39 12.017 -13.334 -0.620 332 HZ2 LYS 39 HZ2 LYS 39 13.489 -12.514 -0.698 333 HZ3 LYS 39 HZ3 LYS 39 12.724 -13.003 -2.117 334 H VAL 40 H VAL 40 4.864 -11.660 -0.968 335 HA VAL 40 HA VAL 40 5.452 -9.350 0.435 336 HB VAL 40 HB VAL 40 2.697 -10.646 0.105 337 HG11 VAL 40 HG11 VAL 40 1.758 -8.377 0.490 338 HG12 VAL 40 HG12 VAL 40 3.374 -7.787 0.885 339 HG13 VAL 40 HG13 VAL 40 2.602 -8.998 1.911 340 HG21 VAL 40 HG21 VAL 40 4.031 -8.480 -1.555 341 HG22 VAL 40 HG22 VAL 40 2.392 -9.093 -1.790 342 HG23 VAL 40 HG23 VAL 40 3.778 -10.152 -2.049 343 H LYS 41 H LYS 41 3.575 -12.140 1.672 344 HA LYS 41 HA LYS 41 3.084 -11.157 4.246 345 HB2 LYS 41 HB2 LYS 41 1.795 -12.959 3.113 346 HB3 LYS 41 HB3 LYS 41 3.180 -14.042 3.269 347 HG2 LYS 41 HG2 LYS 41 2.966 -14.119 5.645 348 HG3 LYS 41 HG3 LYS 41 1.847 -12.759 5.653 349 HD2 LYS 41 HD2 LYS 41 0.559 -14.720 6.048 350 HD3 LYS 41 HD3 LYS 41 0.192 -14.186 4.416 351 HE2 LYS 41 HE2 LYS 41 1.698 -15.936 3.520 352 HE3 LYS 41 HE3 LYS 41 2.051 -16.469 5.169 353 HZ1 LYS 41 HZ1 LYS 41 -0.587 -16.525 3.807 354 HZ2 LYS 41 HZ2 LYS 41 -0.361 -16.877 5.441 355 HZ3 LYS 41 HZ3 LYS 41 0.347 -17.856 4.265 356 H GLU 42 H GLU 42 5.634 -13.175 2.944 357 HA GLU 42 HA GLU 42 6.993 -13.868 5.310 358 HB2 GLU 42 HB2 GLU 42 7.354 -15.051 3.213 359 HB3 GLU 42 HB3 GLU 42 7.888 -13.577 2.418 360 HG2 GLU 42 HG2 GLU 42 9.753 -15.076 2.885 361 HG3 GLU 42 HG3 GLU 42 9.920 -13.543 3.732 362 H GLU 43 H GLU 43 7.220 -11.025 3.158 363 HA GLU 43 HA GLU 43 9.514 -9.875 4.437 364 HB2 GLU 43 HB2 GLU 43 7.469 -8.592 2.583 365 HB3 GLU 43 HB3 GLU 43 8.983 -7.845 3.082 366 HG2 GLU 43 HG2 GLU 43 8.604 -10.269 1.322 367 HG3 GLU 43 HG3 GLU 43 9.314 -8.721 0.886 368 H ILE 44 H ILE 44 6.033 -9.542 4.812 369 HA ILE 44 HA ILE 44 5.927 -7.330 6.563 370 HB ILE 44 HB ILE 44 4.005 -9.694 6.290 371 HG12 ILE 44 HG12 ILE 44 3.819 -6.870 5.143 372 HG13 ILE 44 HG13 ILE 44 4.233 -8.312 4.227 373 HG21 ILE 44 HG21 ILE 44 2.300 -8.310 7.440 374 HG22 ILE 44 HG22 ILE 44 3.511 -7.062 7.733 375 HG23 ILE 44 HG23 ILE 44 3.679 -8.645 8.496 376 HD11 ILE 44 HD11 ILE 44 1.579 -7.752 5.554 377 HD12 ILE 44 HD12 ILE 44 1.994 -9.221 4.667 378 HD13 ILE 44 HD13 ILE 44 1.942 -7.674 3.828 379 H GLU 45 H GLU 45 6.633 -10.752 7.118 380 HA GLU 45 HA GLU 45 6.100 -11.013 9.847 381 HB2 GLU 45 HB2 GLU 45 6.614 -12.871 8.236 382 HB3 GLU 45 HB3 GLU 45 8.304 -12.401 8.252 383 HG2 GLU 45 HG2 GLU 45 6.844 -13.269 10.760 384 HG3 GLU 45 HG3 GLU 45 7.612 -14.424 9.682 385 H LYS 46 H LYS 46 9.297 -10.279 8.356 386 HA LYS 46 HA LYS 46 10.439 -9.569 10.908 387 HB2 LYS 46 HB2 LYS 46 12.475 -8.831 9.577 388 HB3 LYS 46 HB3 LYS 46 12.060 -10.529 9.515 389 HG2 LYS 46 HG2 LYS 46 11.093 -8.745 7.293 390 HG3 LYS 46 HG3 LYS 46 12.797 -9.197 7.346 391 HD2 LYS 46 HD2 LYS 46 12.055 -11.624 7.470 392 HD3 LYS 46 HD3 LYS 46 10.408 -11.065 7.155 393 HE2 LYS 46 HE2 LYS 46 11.132 -10.135 4.996 394 HE3 LYS 46 HE3 LYS 46 12.793 -10.635 5.326 395 HZ1 LYS 46 HZ1 LYS 46 12.193 -12.891 5.202 396 HZ2 LYS 46 HZ2 LYS 46 11.472 -12.149 3.861 397 HZ3 LYS 46 HZ3 LYS 46 10.537 -12.552 5.216 398 H ALA 47 H ALA 47 8.989 -7.738 8.238 399 HA ALA 47 HA ALA 47 9.838 -5.141 8.968 400 HB1 ALA 47 HB1 ALA 47 8.679 -5.634 6.842 401 HB2 ALA 47 HB2 ALA 47 7.879 -4.326 7.716 402 HB3 ALA 47 HB3 ALA 47 7.183 -5.950 7.723 403 H ARG 48 H ARG 48 7.255 -7.174 10.191 404 HA ARG 48 HA ARG 48 5.911 -5.442 11.971 405 HB2 ARG 48 HB2 ARG 48 5.044 -7.653 11.269 406 HB3 ARG 48 HB3 ARG 48 6.407 -8.453 12.038 407 HG2 ARG 48 HG2 ARG 48 5.488 -7.386 14.248 408 HG3 ARG 48 HG3 ARG 48 4.001 -7.167 13.322 409 HD2 ARG 48 HD2 ARG 48 3.837 -9.245 14.516 410 HD3 ARG 48 HD3 ARG 48 4.033 -9.633 12.811 411 HE ARG 48 HE ARG 48 6.205 -9.766 14.816 412 HH11 ARG 48 HH11 ARG 48 4.723 -11.074 11.906 413 HH12 ARG 48 HH12 ARG 48 5.897 -12.340 11.761 414 HH21 ARG 48 HH21 ARG 48 7.702 -11.386 14.603 415 HH22 ARG 48 HH22 ARG 48 7.590 -12.513 13.291 416 H LYS 49 H LYS 49 8.499 -7.794 12.427 417 HA LYS 49 HA LYS 49 9.029 -7.462 15.158 418 HB2 LYS 49 HB2 LYS 49 9.718 -9.410 13.814 419 HB3 LYS 49 HB3 LYS 49 10.812 -8.400 12.876 420 HG2 LYS 49 HG2 LYS 49 12.143 -7.991 14.973 421 HG3 LYS 49 HG3 LYS 49 11.087 -9.135 15.814 422 HD2 LYS 49 HD2 LYS 49 11.757 -10.909 14.203 423 HD3 LYS 49 HD3 LYS 49 12.823 -9.761 13.393 424 HE2 LYS 49 HE2 LYS 49 14.169 -9.572 15.460 425 HE3 LYS 49 HE3 LYS 49 13.103 -10.737 16.254 426 HZ1 LYS 49 HZ1 LYS 49 15.041 -11.867 15.445 427 HZ2 LYS 49 HZ2 LYS 49 14.833 -11.244 13.888 428 HZ3 LYS 49 HZ3 LYS 49 13.718 -12.354 14.507 429 H GLN 50 H GLN 50 10.278 -5.799 12.320 430 HA GLN 50 HA GLN 50 12.367 -4.346 13.715 431 HB2 GLN 50 HB2 GLN 50 11.267 -4.148 10.874 432 HB3 GLN 50 HB3 GLN 50 12.594 -3.162 11.473 433 HG2 GLN 50 HG2 GLN 50 12.579 -6.163 11.094 434 HG3 GLN 50 HG3 GLN 50 13.494 -4.974 10.178 435 HE21 GLN 50 HE21 GLN 50 13.304 -6.784 13.127 436 HE22 GLN 50 HE22 GLN 50 14.883 -6.401 13.710 437 H GLY 51 H GLY 51 9.004 -3.959 13.156 438 HA2 GLY 51 HA2 GLY 51 7.500 -2.326 13.675 439 HA3 GLY 51 HA3 GLY 51 8.757 -1.575 14.644 440 H ARG 52 H ARG 52 8.770 -2.166 11.153 441 HA ARG 52 HA ARG 52 9.025 0.746 10.679 442 HB2 ARG 52 HB2 ARG 52 10.518 -1.570 9.371 443 HB3 ARG 52 HB3 ARG 52 10.517 0.063 8.706 444 HG2 ARG 52 HG2 ARG 52 11.546 0.917 10.781 445 HG3 ARG 52 HG3 ARG 52 11.555 -0.713 11.456 446 HD2 ARG 52 HD2 ARG 52 13.126 -1.457 9.734 447 HD3 ARG 52 HD3 ARG 52 13.035 0.115 8.933 448 HE ARG 52 HE ARG 52 14.401 1.036 10.547 449 HH11 ARG 52 HH11 ARG 52 13.621 -2.239 11.519 450 HH12 ARG 52 HH12 ARG 52 14.819 -2.293 12.765 451 HH21 ARG 52 HH21 ARG 52 15.971 0.963 12.175 452 HH22 ARG 52 HH22 ARG 52 16.158 -0.467 13.137 453 HA PRO 53 HA PRO 53 5.724 0.342 7.614 454 HB2 PRO 53 HB2 PRO 53 6.458 2.425 5.926 455 HB3 PRO 53 HB3 PRO 53 5.610 2.650 7.469 456 HG2 PRO 53 HG2 PRO 53 8.543 2.897 6.893 457 HG3 PRO 53 HG3 PRO 53 7.491 3.966 7.850 458 HD2 PRO 53 HD2 PRO 53 9.103 2.185 9.049 459 HD3 PRO 53 HD3 PRO 53 7.484 2.536 9.697 460 H ILE 54 H ILE 54 5.502 -0.923 5.907 461 HA ILE 54 HA ILE 54 7.645 -1.212 3.900 462 HB ILE 54 HB ILE 54 7.744 -3.224 5.268 463 HG12 ILE 54 HG12 ILE 54 6.301 -3.826 2.648 464 HG13 ILE 54 HG13 ILE 54 8.029 -3.553 2.833 465 HG21 ILE 54 HG21 ILE 54 4.774 -3.634 4.811 466 HG22 ILE 54 HG22 ILE 54 5.527 -3.132 6.325 467 HG23 ILE 54 HG23 ILE 54 5.853 -4.739 5.671 468 HD11 ILE 54 HD11 ILE 54 7.570 -5.894 2.586 469 HD12 ILE 54 HD12 ILE 54 6.451 -5.872 3.946 470 HD13 ILE 54 HD13 ILE 54 8.177 -5.591 4.210 471 H VAL 55 H VAL 55 6.889 -0.650 1.942 472 HA VAL 55 HA VAL 55 3.997 -0.238 1.596 473 HB VAL 55 HB VAL 55 6.275 0.829 -0.132 474 HG11 VAL 55 HG11 VAL 55 3.339 1.598 -0.030 475 HG12 VAL 55 HG12 VAL 55 4.146 0.719 -1.333 476 HG13 VAL 55 HG13 VAL 55 4.572 2.400 -1.006 477 HG21 VAL 55 HG21 VAL 55 4.775 2.270 2.087 478 HG22 VAL 55 HG22 VAL 55 5.981 2.989 1.014 479 HG23 VAL 55 HG23 VAL 55 6.455 1.730 2.156 480 H VAL 56 H VAL 56 3.081 -2.017 0.811 481 HA VAL 56 HA VAL 56 4.359 -3.684 -1.239 482 HB VAL 56 HB VAL 56 1.701 -4.079 0.233 483 HG11 VAL 56 HG11 VAL 56 1.763 -5.260 -1.928 484 HG12 VAL 56 HG12 VAL 56 1.822 -6.412 -0.594 485 HG13 VAL 56 HG13 VAL 56 3.293 -6.031 -1.493 486 HG21 VAL 56 HG21 VAL 56 3.601 -4.137 1.811 487 HG22 VAL 56 HG22 VAL 56 4.428 -5.336 0.814 488 HG23 VAL 56 HG23 VAL 56 2.912 -5.751 1.618 489 H PHE 57 H PHE 57 4.018 -3.050 -3.276 490 HA PHE 57 HA PHE 57 1.700 -1.501 -4.083 491 HB2 PHE 57 HB2 PHE 57 4.106 -2.554 -5.633 492 HB3 PHE 57 HB3 PHE 57 2.849 -1.520 -6.318 493 HD1 PHE 57 HD1 PHE 57 2.469 0.793 -5.276 494 HD2 PHE 57 HD2 PHE 57 5.942 -1.565 -4.436 495 HE1 PHE 57 HE1 PHE 57 3.627 2.792 -4.438 496 HE2 PHE 57 HE2 PHE 57 7.090 0.445 -3.607 497 HZ PHE 57 HZ PHE 57 5.936 2.619 -3.598 498 H VAL 58 H VAL 58 -0.106 -2.453 -4.578 499 HA VAL 58 HA VAL 58 -0.214 -5.183 -5.707 500 HB VAL 58 HB VAL 58 -2.445 -3.512 -4.436 501 HG11 VAL 58 HG11 VAL 58 -3.325 -5.067 -6.128 502 HG12 VAL 58 HG12 VAL 58 -3.801 -5.576 -4.507 503 HG13 VAL 58 HG13 VAL 58 -2.495 -6.415 -5.346 504 HG21 VAL 58 HG21 VAL 58 -2.313 -5.075 -2.520 505 HG22 VAL 58 HG22 VAL 58 -0.792 -4.207 -2.748 506 HG23 VAL 58 HG23 VAL 58 -0.937 -5.887 -3.274 507 H ARG 59 H ARG 59 -1.282 -5.479 -7.673 508 HA ARG 59 HA ARG 59 -1.437 -3.204 -9.483 509 HB2 ARG 59 HB2 ARG 59 -0.347 -5.317 -10.130 510 HB3 ARG 59 HB3 ARG 59 -1.836 -6.204 -9.840 511 HG2 ARG 59 HG2 ARG 59 -2.891 -5.160 -11.761 512 HG3 ARG 59 HG3 ARG 59 -1.487 -4.108 -12.008 513 HD2 ARG 59 HD2 ARG 59 -1.609 -6.159 -13.528 514 HD3 ARG 59 HD3 ARG 59 -0.094 -5.959 -12.641 515 HE ARG 59 HE ARG 59 -2.254 -7.811 -11.796 516 HH11 ARG 59 HH11 ARG 59 1.184 -7.207 -12.311 517 HH12 ARG 59 HH12 ARG 59 1.662 -8.748 -11.672 518 HH21 ARG 59 HH21 ARG 59 -1.584 -9.713 -10.795 519 HH22 ARG 59 HH22 ARG 59 0.093 -10.165 -10.814 520 H GLY 60 H GLY 60 -3.319 -2.489 -10.491 521 HA2 GLY 60 HA2 GLY 60 -5.757 -2.539 -9.030 522 HA3 GLY 60 HA3 GLY 60 -5.497 -1.817 -10.608 523 H GLY 61 H GLY 61 -6.260 -4.798 -8.934 524 HA2 GLY 61 HA2 GLY 61 -8.272 -5.854 -10.354 525 HA3 GLY 61 HA3 GLY 61 -6.891 -6.317 -11.346 526 H ASP 62 H ASP 62 -5.130 -6.516 -8.956 527 HA ASP 62 HA ASP 62 -5.861 -9.154 -7.930 528 HB2 ASP 62 HB2 ASP 62 -3.436 -7.351 -7.496 529 HB3 ASP 62 HB3 ASP 62 -3.610 -8.932 -6.742 530 H ASP 63 H ASP 63 -7.622 -7.089 -7.249 531 HA ASP 63 HA ASP 63 -7.354 -5.934 -4.690 532 HB2 ASP 63 HB2 ASP 63 -8.923 -5.246 -6.573 533 HB3 ASP 63 HB3 ASP 63 -9.908 -6.659 -6.215 534 H GLU 64 H GLU 64 -8.685 -8.941 -5.874 535 HA GLU 64 HA GLU 64 -9.889 -10.096 -3.665 536 HB2 GLU 64 HB2 GLU 64 -9.973 -10.985 -5.966 537 HB3 GLU 64 HB3 GLU 64 -8.255 -11.346 -5.909 538 HG2 GLU 64 HG2 GLU 64 -9.420 -13.411 -5.655 539 HG3 GLU 64 HG3 GLU 64 -8.719 -13.009 -4.094 540 H ARG 65 H ARG 65 -6.469 -10.104 -4.623 541 HA ARG 65 HA ARG 65 -5.530 -11.737 -2.412 542 HB2 ARG 65 HB2 ARG 65 -3.987 -10.095 -4.477 543 HB3 ARG 65 HB3 ARG 65 -3.302 -11.331 -3.422 544 HG2 ARG 65 HG2 ARG 65 -4.596 -13.070 -4.555 545 HG3 ARG 65 HG3 ARG 65 -5.417 -11.858 -5.538 546 HD2 ARG 65 HD2 ARG 65 -3.252 -11.249 -6.575 547 HD3 ARG 65 HD3 ARG 65 -2.449 -12.488 -5.605 548 HE ARG 65 HE ARG 65 -4.616 -13.479 -7.241 549 HH11 ARG 65 HH11 ARG 65 -1.175 -12.762 -7.168 550 HH12 ARG 65 HH12 ARG 65 -0.788 -13.850 -8.460 551 HH21 ARG 65 HH21 ARG 65 -4.102 -14.919 -8.943 552 HH22 ARG 65 HH22 ARG 65 -2.455 -15.079 -9.467 553 H ALA 66 H ALA 66 -5.788 -8.321 -3.181 554 HA ALA 66 HA ALA 66 -3.921 -7.216 -1.393 555 HB1 ALA 66 HB1 ALA 66 -5.121 -5.096 -1.715 556 HB2 ALA 66 HB2 ALA 66 -6.489 -5.960 -2.427 557 HB3 ALA 66 HB3 ALA 66 -4.928 -5.948 -3.248 558 H LYS 67 H LYS 67 -7.256 -8.245 -0.927 559 HA LYS 67 HA LYS 67 -7.714 -7.052 1.611 560 HB2 LYS 67 HB2 LYS 67 -9.763 -8.242 1.642 561 HB3 LYS 67 HB3 LYS 67 -9.450 -8.013 -0.075 562 HG2 LYS 67 HG2 LYS 67 -8.501 -10.358 -0.130 563 HG3 LYS 67 HG3 LYS 67 -9.029 -10.543 1.539 564 HD2 LYS 67 HD2 LYS 67 -11.408 -9.995 0.659 565 HD3 LYS 67 HD3 LYS 67 -10.734 -10.262 -0.959 566 HE2 LYS 67 HE2 LYS 67 -10.821 -12.275 1.323 567 HE3 LYS 67 HE3 LYS 67 -11.761 -12.330 -0.169 568 HZ1 LYS 67 HZ1 LYS 67 -9.903 -13.828 -0.302 569 HZ2 LYS 67 HZ2 LYS 67 -8.810 -12.588 0.047 570 HZ3 LYS 67 HZ3 LYS 67 -9.672 -12.564 -1.398 571 H ASP 68 H ASP 68 -6.257 -10.095 0.614 572 HA ASP 68 HA ASP 68 -6.219 -11.439 3.130 573 HB2 ASP 68 HB2 ASP 68 -4.499 -11.806 0.641 574 HB3 ASP 68 HB3 ASP 68 -4.458 -12.897 2.012 575 H ILE 69 H ILE 69 -3.880 -9.447 1.376 576 HA ILE 69 HA ILE 69 -1.709 -9.635 3.195 577 HB ILE 69 HB ILE 69 -2.322 -7.270 1.353 578 HG12 ILE 69 HG12 ILE 69 -0.713 -9.766 0.609 579 HG13 ILE 69 HG13 ILE 69 -2.353 -9.436 0.058 580 HG21 ILE 69 HG21 ILE 69 0.136 -6.942 1.374 581 HG22 ILE 69 HG22 ILE 69 0.302 -8.293 2.497 582 HG23 ILE 69 HG23 ILE 69 -0.560 -6.836 2.995 583 HD11 ILE 69 HD11 ILE 69 0.104 -7.799 -0.573 584 HD12 ILE 69 HD12 ILE 69 -1.542 -7.395 -1.069 585 HD13 ILE 69 HD13 ILE 69 -0.778 -8.865 -1.667 586 H ALA 70 H ALA 70 -4.361 -7.325 2.749 587 HA ALA 70 HA ALA 70 -3.723 -5.423 4.710 588 HB1 ALA 70 HB1 ALA 70 -6.458 -6.184 3.631 589 HB2 ALA 70 HB2 ALA 70 -5.342 -5.045 2.882 590 HB3 ALA 70 HB3 ALA 70 -6.044 -4.672 4.455 591 H GLU 71 H GLU 71 -5.694 -8.366 4.853 592 HA GLU 71 HA GLU 71 -6.657 -8.066 7.505 593 HB2 GLU 71 HB2 GLU 71 -7.703 -9.594 5.824 594 HB3 GLU 71 HB3 GLU 71 -6.279 -10.630 5.890 595 HG2 GLU 71 HG2 GLU 71 -6.753 -10.906 8.387 596 HG3 GLU 71 HG3 GLU 71 -8.295 -10.110 8.095 597 H TYR 72 H TYR 72 -3.896 -9.813 6.096 598 HA TYR 72 HA TYR 72 -2.966 -11.037 8.461 599 HB2 TYR 72 HB2 TYR 72 -2.233 -11.798 6.220 600 HB3 TYR 72 HB3 TYR 72 -1.388 -10.274 5.954 601 HD1 TYR 72 HD1 TYR 72 -1.425 -13.322 8.138 602 HD2 TYR 72 HD2 TYR 72 0.883 -10.001 6.748 603 HE1 TYR 72 HE1 TYR 72 0.566 -14.237 9.245 604 HE2 TYR 72 HE2 TYR 72 2.876 -10.927 7.851 605 HH TYR 72 HH TYR 72 3.335 -12.469 9.813 606 H ALA 73 H ALA 73 -2.125 -7.969 6.903 607 HA ALA 73 HA ALA 73 -0.065 -7.114 8.594 608 HB1 ALA 73 HB1 ALA 73 -0.574 -6.059 6.438 609 HB2 ALA 73 HB2 ALA 73 -0.581 -4.857 7.730 610 HB3 ALA 73 HB3 ALA 73 -2.106 -5.462 7.071 611 H GLN 74 H GLN 74 -3.574 -6.502 8.723 612 HA GLN 74 HA GLN 74 -3.628 -5.005 11.135 613 HB2 GLN 74 HB2 GLN 74 -5.432 -5.037 9.378 614 HB3 GLN 74 HB3 GLN 74 -5.856 -6.670 9.879 615 HG2 GLN 74 HG2 GLN 74 -6.491 -5.831 12.107 616 HG3 GLN 74 HG3 GLN 74 -6.029 -4.197 11.626 617 HE21 GLN 74 HE21 GLN 74 -7.348 -3.079 10.123 618 HE22 GLN 74 HE22 GLN 74 -8.960 -3.590 9.774 619 H LYS 75 H LYS 75 -3.660 -8.425 10.430 620 HA LYS 75 HA LYS 75 -4.585 -9.459 12.919 621 HB2 LYS 75 HB2 LYS 75 -4.514 -10.619 10.645 622 HB3 LYS 75 HB3 LYS 75 -2.798 -10.890 10.916 623 HG2 LYS 75 HG2 LYS 75 -3.320 -12.252 12.910 624 HG3 LYS 75 HG3 LYS 75 -5.045 -11.940 12.682 625 HD2 LYS 75 HD2 LYS 75 -3.208 -13.488 10.821 626 HD3 LYS 75 HD3 LYS 75 -4.527 -14.144 11.792 627 HE2 LYS 75 HE2 LYS 75 -4.848 -12.173 9.500 628 HE3 LYS 75 HE3 LYS 75 -5.141 -13.910 9.397 629 HZ1 LYS 75 HZ1 LYS 75 -6.643 -11.961 11.059 630 HZ2 LYS 75 HZ2 LYS 75 -6.897 -13.629 11.073 631 HZ3 LYS 75 HZ3 LYS 75 -7.204 -12.745 9.668 632 H GLU 76 H GLU 76 -1.424 -8.629 11.605 633 HA GLU 76 HA GLU 76 0.120 -9.567 13.867 634 HB2 GLU 76 HB2 GLU 76 0.890 -7.684 11.595 635 HB3 GLU 76 HB3 GLU 76 2.009 -8.472 12.697 636 HG2 GLU 76 HG2 GLU 76 0.231 -9.911 10.712 637 HG3 GLU 76 HG3 GLU 76 1.917 -9.501 10.437 638 H GLY 77 H GLY 77 -1.931 -6.950 13.385 639 HA2 GLY 77 HA2 GLY 77 -2.501 -5.275 14.886 640 HA3 GLY 77 HA3 GLY 77 -1.011 -5.555 15.777 641 H LEU 78 H LEU 78 -0.615 -5.227 12.410 642 HA LEU 78 HA LEU 78 0.954 -2.806 12.752 643 HB2 LEU 78 HB2 LEU 78 0.514 -4.411 10.198 644 HB3 LEU 78 HB3 LEU 78 1.791 -3.243 10.509 645 HG LEU 78 HG LEU 78 1.491 -6.004 11.733 646 HD11 LEU 78 HD11 LEU 78 3.658 -4.864 9.953 647 HD12 LEU 78 HD12 LEU 78 2.402 -6.007 9.471 648 HD13 LEU 78 HD13 LEU 78 3.621 -6.489 10.645 649 HD21 LEU 78 HD21 LEU 78 3.567 -5.579 12.971 650 HD22 LEU 78 HD22 LEU 78 2.274 -4.503 13.481 651 HD23 LEU 78 HD23 LEU 78 3.554 -3.906 12.428 652 H ARG 79 H ARG 79 0.608 -0.875 11.695 653 HA ARG 79 HA ARG 79 -2.125 -0.123 11.319 654 HB2 ARG 79 HB2 ARG 79 0.114 1.202 12.169 655 HB3 ARG 79 HB3 ARG 79 0.090 1.756 10.505 656 HG2 ARG 79 HG2 ARG 79 -2.151 2.080 12.528 657 HG3 ARG 79 HG3 ARG 79 -1.022 3.338 12.027 658 HD2 ARG 79 HD2 ARG 79 -1.906 3.178 9.712 659 HD3 ARG 79 HD3 ARG 79 -3.061 1.957 10.252 660 HE ARG 79 HE ARG 79 -3.865 3.793 11.833 661 HH11 ARG 79 HH11 ARG 79 -2.627 4.456 8.614 662 HH12 ARG 79 HH12 ARG 79 -3.559 5.898 8.411 663 HH21 ARG 79 HH21 ARG 79 -5.096 5.674 11.559 664 HH22 ARG 79 HH22 ARG 79 -4.967 6.589 10.094 665 H VAL 80 H VAL 80 -3.234 -0.476 9.475 666 HA VAL 80 HA VAL 80 -1.827 -1.052 6.959 667 HB VAL 80 HB VAL 80 -4.795 -1.450 7.575 668 HG11 VAL 80 HG11 VAL 80 -4.270 -1.414 5.173 669 HG12 VAL 80 HG12 VAL 80 -4.737 -3.038 5.682 670 HG13 VAL 80 HG13 VAL 80 -3.035 -2.655 5.406 671 HG21 VAL 80 HG21 VAL 80 -2.549 -3.473 7.879 672 HG22 VAL 80 HG22 VAL 80 -4.272 -3.822 8.032 673 HG23 VAL 80 HG23 VAL 80 -3.484 -2.748 9.190 674 H ILE 81 H ILE 81 -1.671 0.490 5.474 675 HA ILE 81 HA ILE 81 -3.761 2.582 5.187 676 HB ILE 81 HB ILE 81 -0.769 2.741 4.568 677 HG12 ILE 81 HG12 ILE 81 -0.993 4.901 6.033 678 HG13 ILE 81 HG13 ILE 81 -2.511 4.207 6.584 679 HG21 ILE 81 HG21 ILE 81 -1.181 5.021 3.689 680 HG22 ILE 81 HG22 ILE 81 -2.916 4.741 3.824 681 HG23 ILE 81 HG23 ILE 81 -1.950 3.766 2.715 682 HD11 ILE 81 HD11 ILE 81 0.215 2.955 6.877 683 HD12 ILE 81 HD12 ILE 81 -1.305 2.277 7.467 684 HD13 ILE 81 HD13 ILE 81 -0.694 3.791 8.138 685 H VAL 82 H VAL 82 -4.999 2.069 3.438 686 HA VAL 82 HA VAL 82 -3.825 0.566 1.159 687 HB VAL 82 HB VAL 82 -6.766 0.923 1.939 688 HG11 VAL 82 HG11 VAL 82 -6.481 0.574 -0.478 689 HG12 VAL 82 HG12 VAL 82 -7.251 -0.823 0.273 690 HG13 VAL 82 HG13 VAL 82 -5.544 -0.888 -0.168 691 HG21 VAL 82 HG21 VAL 82 -6.714 -1.445 2.661 692 HG22 VAL 82 HG22 VAL 82 -5.589 -0.460 3.603 693 HG23 VAL 82 HG23 VAL 82 -4.982 -1.513 2.322 694 H ILE 83 H ILE 83 -3.310 1.898 -0.580 695 HA ILE 83 HA ILE 83 -4.875 4.386 -1.027 696 HB ILE 83 HB ILE 83 -1.942 3.896 -1.758 697 HG12 ILE 83 HG12 ILE 83 -3.077 5.647 0.475 698 HG13 ILE 83 HG13 ILE 83 -2.311 4.085 0.719 699 HG21 ILE 83 HG21 ILE 83 -3.041 5.459 -3.309 700 HG22 ILE 83 HG22 ILE 83 -1.885 6.320 -2.294 701 HG23 ILE 83 HG23 ILE 83 -3.613 6.436 -1.952 702 HD11 ILE 83 HD11 ILE 83 -0.967 6.562 -0.359 703 HD12 ILE 83 HD12 ILE 83 -0.200 4.987 -0.120 704 HD13 ILE 83 HD13 ILE 83 -0.813 5.891 1.264 705 H ILE 84 H ILE 84 -6.238 4.007 -2.714 706 HA ILE 84 HA ILE 84 -5.430 2.280 -4.955 707 HB ILE 84 HB ILE 84 -8.121 3.634 -4.407 708 HG12 ILE 84 HG12 ILE 84 -8.921 1.198 -4.178 709 HG13 ILE 84 HG13 ILE 84 -7.228 0.727 -4.135 710 HG21 ILE 84 HG21 ILE 84 -7.378 1.726 -6.658 711 HG22 ILE 84 HG22 ILE 84 -7.758 3.442 -6.833 712 HG23 ILE 84 HG23 ILE 84 -9.007 2.309 -6.312 713 HD11 ILE 84 HD11 ILE 84 -8.216 0.809 -1.921 714 HD12 ILE 84 HD12 ILE 84 -8.626 2.508 -2.144 715 HD13 ILE 84 HD13 ILE 84 -6.934 2.009 -2.076 716 H VAL 85 H VAL 85 -4.814 3.091 -6.880 717 HA VAL 85 HA VAL 85 -4.776 6.006 -7.364 718 HB VAL 85 HB VAL 85 -2.755 3.949 -8.397 719 HG11 VAL 85 HG11 VAL 85 -2.896 5.991 -9.745 720 HG12 VAL 85 HG12 VAL 85 -1.343 5.900 -8.914 721 HG13 VAL 85 HG13 VAL 85 -2.601 6.982 -8.313 722 HG21 VAL 85 HG21 VAL 85 -1.162 4.721 -6.665 723 HG22 VAL 85 HG22 VAL 85 -2.584 3.950 -5.957 724 HG23 VAL 85 HG23 VAL 85 -2.433 5.709 -5.939 725 H SER 86 H SER 86 -6.485 6.219 -8.823 726 HA SER 86 HA SER 86 -6.380 4.776 -11.358 727 HB2 SER 86 HB2 SER 86 -8.829 4.628 -9.534 728 HB3 SER 86 HB3 SER 86 -8.805 4.112 -11.219 729 HG SER 86 HG SER 86 -6.797 2.941 -9.844 730 H GLN 87 H GLN 87 -7.052 6.025 -12.990 731 HA GLN 87 HA GLN 87 -7.776 8.713 -12.849 732 HB2 GLN 87 HB2 GLN 87 -8.438 8.426 -15.265 733 HB3 GLN 87 HB3 GLN 87 -6.847 7.769 -14.888 734 HG2 GLN 87 HG2 GLN 87 -7.753 5.495 -14.840 735 HG3 GLN 87 HG3 GLN 87 -9.382 6.117 -15.096 736 HE21 GLN 87 HE21 GLN 87 -9.688 4.888 -16.938 737 HE22 GLN 87 HE22 GLN 87 -8.876 5.204 -18.434 738 H ASP 88 H ASP 88 -9.781 5.823 -12.923 739 HA ASP 88 HA ASP 88 -12.311 7.225 -13.088 740 HB2 ASP 88 HB2 ASP 88 -11.604 4.300 -12.599 741 HB3 ASP 88 HB3 ASP 88 -13.259 4.895 -12.685 742 H GLU 89 H GLU 89 -13.284 8.098 -11.425 743 HA GLU 89 HA GLU 89 -12.437 7.901 -8.717 744 HB2 GLU 89 HB2 GLU 89 -14.995 9.093 -9.854 745 HB3 GLU 89 HB3 GLU 89 -14.355 9.379 -8.235 746 HG2 GLU 89 HG2 GLU 89 -12.354 10.453 -9.208 747 HG3 GLU 89 HG3 GLU 89 -12.983 10.164 -10.831 748 H GLU 90 H GLU 90 -14.762 6.110 -10.613 749 HA GLU 90 HA GLU 90 -16.210 4.936 -8.452 750 HB2 GLU 90 HB2 GLU 90 -15.755 4.021 -11.315 751 HB3 GLU 90 HB3 GLU 90 -16.761 3.127 -10.182 752 HG2 GLU 90 HG2 GLU 90 -17.226 5.964 -11.121 753 HG3 GLU 90 HG3 GLU 90 -18.116 4.538 -11.642 754 H ALA 91 H ALA 91 -13.239 3.982 -10.166 755 HA ALA 91 HA ALA 91 -12.869 1.485 -8.837 756 HB1 ALA 91 HB1 ALA 91 -11.760 1.994 -10.961 757 HB2 ALA 91 HB2 ALA 91 -10.560 1.615 -9.722 758 HB3 ALA 91 HB3 ALA 91 -10.844 3.293 -10.194 759 H LEU 92 H LEU 92 -11.839 4.806 -8.184 760 HA LEU 92 HA LEU 92 -10.314 4.395 -5.837 761 HB2 LEU 92 HB2 LEU 92 -12.031 6.789 -6.627 762 HB3 LEU 92 HB3 LEU 92 -10.830 6.798 -5.346 763 HG LEU 92 HG LEU 92 -10.290 6.503 -8.322 764 HD11 LEU 92 HD11 LEU 92 -9.128 8.657 -8.114 765 HD12 LEU 92 HD12 LEU 92 -9.584 8.752 -6.411 766 HD13 LEU 92 HD13 LEU 92 -10.828 8.800 -7.665 767 HD21 LEU 92 HD21 LEU 92 -7.904 6.508 -7.742 768 HD22 LEU 92 HD22 LEU 92 -8.732 5.101 -7.083 769 HD23 LEU 92 HD23 LEU 92 -8.314 6.453 -6.025 770 H ARG 93 H ARG 93 -13.735 4.994 -6.383 771 HA ARG 93 HA ARG 93 -14.640 5.396 -3.756 772 HB2 ARG 93 HB2 ARG 93 -15.856 6.110 -5.762 773 HB3 ARG 93 HB3 ARG 93 -16.068 4.441 -6.272 774 HG2 ARG 93 HG2 ARG 93 -17.531 4.056 -4.296 775 HG3 ARG 93 HG3 ARG 93 -17.351 5.758 -3.860 776 HD2 ARG 93 HD2 ARG 93 -18.436 6.463 -5.909 777 HD3 ARG 93 HD3 ARG 93 -18.452 4.806 -6.525 778 HE ARG 93 HE ARG 93 -19.892 5.201 -4.035 779 HH11 ARG 93 HH11 ARG 93 -20.128 5.127 -7.554 780 HH12 ARG 93 HH12 ARG 93 -21.844 4.854 -7.547 781 HH21 ARG 93 HH21 ARG 93 -22.155 4.868 -4.058 782 HH22 ARG 93 HH22 ARG 93 -22.986 4.708 -5.572 783 H LYS 94 H LYS 94 -14.582 2.443 -5.772 784 HA LYS 94 HA LYS 94 -15.917 0.685 -4.007 785 HB2 LYS 94 HB2 LYS 94 -13.816 0.155 -6.149 786 HB3 LYS 94 HB3 LYS 94 -14.661 -1.133 -5.293 787 HG2 LYS 94 HG2 LYS 94 -16.795 -0.406 -6.230 788 HG3 LYS 94 HG3 LYS 94 -16.007 0.966 -7.019 789 HD2 LYS 94 HD2 LYS 94 -16.403 -0.901 -8.608 790 HD3 LYS 94 HD3 LYS 94 -14.685 -0.549 -8.422 791 HE2 LYS 94 HE2 LYS 94 -14.485 -2.479 -6.859 792 HE3 LYS 94 HE3 LYS 94 -16.195 -2.834 -7.106 793 HZ1 LYS 94 HZ1 LYS 94 -14.808 -4.232 -8.484 794 HZ2 LYS 94 HZ2 LYS 94 -14.089 -2.881 -9.205 795 HZ3 LYS 94 HZ3 LYS 94 -15.730 -3.201 -9.453 796 H GLY 95 H GLY 95 -12.430 1.236 -4.578 797 HA2 GLY 95 HA2 GLY 95 -11.478 -0.596 -2.626 798 HA3 GLY 95 HA3 GLY 95 -10.550 0.679 -3.398 799 H TYR 96 H TYR 96 -12.421 2.763 -2.470 800 HA TYR 96 HA TYR 96 -11.135 3.431 -0.028 801 HB2 TYR 96 HB2 TYR 96 -11.848 5.158 -1.617 802 HB3 TYR 96 HB3 TYR 96 -13.531 4.708 -1.395 803 HD1 TYR 96 HD2 TYR 96 -10.585 5.767 0.739 804 HD2 TYR 96 HD1 TYR 96 -14.791 6.116 0.010 805 HE1 TYR 96 HE2 TYR 96 -10.761 7.444 2.528 806 HE2 TYR 96 HE1 TYR 96 -14.963 7.781 1.805 807 HH TYR 96 HH TYR 96 -12.386 9.386 3.097 808 H GLU 97 H GLU 97 -14.538 2.678 -0.789 809 HA GLU 97 HA GLU 97 -15.352 2.909 1.954 810 HB2 GLU 97 HB2 GLU 97 -16.910 1.806 -0.419 811 HB3 GLU 97 HB3 GLU 97 -17.581 2.331 1.125 812 HG2 GLU 97 HG2 GLU 97 -16.808 4.642 0.668 813 HG3 GLU 97 HG3 GLU 97 -16.180 4.111 -0.892 814 H ASP 98 H ASP 98 -14.551 0.232 -0.177 815 HA ASP 98 HA ASP 98 -15.797 -1.879 1.241 816 HB2 ASP 98 HB2 ASP 98 -15.083 -2.076 -1.124 817 HB3 ASP 98 HB3 ASP 98 -13.397 -1.947 -0.646 818 H LYS 99 H LYS 99 -12.405 -0.745 1.235 819 HA LYS 99 HA LYS 99 -11.542 -2.651 3.233 820 HB2 LYS 99 HB2 LYS 99 -10.149 -0.335 1.841 821 HB3 LYS 99 HB3 LYS 99 -9.369 -1.228 3.140 822 HG2 LYS 99 HG2 LYS 99 -8.569 -2.086 1.043 823 HG3 LYS 99 HG3 LYS 99 -9.596 -3.320 1.784 824 HD2 LYS 99 HD2 LYS 99 -11.475 -2.582 0.316 825 HD3 LYS 99 HD3 LYS 99 -10.399 -1.409 -0.442 826 HE2 LYS 99 HE2 LYS 99 -9.023 -3.190 -1.346 827 HE3 LYS 99 HE3 LYS 99 -9.963 -4.407 -0.469 828 HZ1 LYS 99 HZ1 LYS 99 -10.696 -4.288 -2.729 829 HZ2 LYS 99 HZ2 LYS 99 -10.965 -2.632 -2.627 830 HZ3 LYS 99 HZ3 LYS 99 -11.920 -3.700 -1.742 831 H LYS 100 H LYS 100 -12.618 0.670 3.218 832 HA LYS 100 HA LYS 100 -11.606 1.545 5.711 833 HB2 LYS 100 HB2 LYS 100 -12.454 2.961 3.809 834 HB3 LYS 100 HB3 LYS 100 -14.094 2.515 4.256 835 HG2 LYS 100 HG2 LYS 100 -13.834 3.664 6.405 836 HG3 LYS 100 HG3 LYS 100 -12.152 4.041 6.015 837 HD2 LYS 100 HD2 LYS 100 -12.891 5.401 4.089 838 HD3 LYS 100 HD3 LYS 100 -14.574 5.006 4.444 839 HE2 LYS 100 HE2 LYS 100 -12.711 6.550 6.279 840 HE3 LYS 100 HE3 LYS 100 -13.943 7.264 5.240 841 HZ1 LYS 100 HZ1 LYS 100 -14.747 7.069 7.487 842 HZ2 LYS 100 HZ2 LYS 100 -14.426 5.411 7.508 843 HZ3 LYS 100 HZ3 LYS 100 -15.625 6.023 6.489 844 H LYS 101 H LYS 101 -14.483 -0.252 4.833 845 HA LYS 101 HA LYS 101 -15.782 -0.168 7.402 846 HB2 LYS 101 HB2 LYS 101 -16.153 -2.001 4.999 847 HB3 LYS 101 HB3 LYS 101 -17.181 -2.049 6.431 848 HG2 LYS 101 HG2 LYS 101 -17.899 0.267 6.004 849 HG3 LYS 101 HG3 LYS 101 -16.854 0.338 4.583 850 HD2 LYS 101 HD2 LYS 101 -18.167 -1.484 3.533 851 HD3 LYS 101 HD3 LYS 101 -19.212 -1.550 4.957 852 HE2 LYS 101 HE2 LYS 101 -20.272 -0.280 3.149 853 HE3 LYS 101 HE3 LYS 101 -19.936 0.771 4.526 854 HZ1 LYS 101 HZ1 LYS 101 -18.342 0.576 2.030 855 HZ2 LYS 101 HZ2 LYS 101 -17.935 1.536 3.359 856 HZ3 LYS 101 HZ3 LYS 101 -19.346 1.857 2.486 857 H LYS 102 H LYS 102 -13.285 -2.125 5.952 858 HA LYS 102 HA LYS 102 -13.497 -4.333 7.847 859 HB2 LYS 102 HB2 LYS 102 -11.244 -3.823 5.868 860 HB3 LYS 102 HB3 LYS 102 -11.694 -5.353 6.611 861 HG2 LYS 102 HG2 LYS 102 -13.849 -5.264 5.297 862 HG3 LYS 102 HG3 LYS 102 -13.219 -3.826 4.488 863 HD2 LYS 102 HD2 LYS 102 -11.181 -5.311 3.845 864 HD3 LYS 102 HD3 LYS 102 -12.187 -6.675 4.334 865 HE2 LYS 102 HE2 LYS 102 -12.663 -4.725 2.067 866 HE3 LYS 102 HE3 LYS 102 -12.416 -6.466 1.969 867 HZ1 LYS 102 HZ1 LYS 102 -14.556 -6.764 3.082 868 HZ2 LYS 102 HZ2 LYS 102 -14.716 -5.909 1.635 869 HZ3 LYS 102 HZ3 LYS 102 -14.780 -5.092 3.110 870 H GLY 103 H GLY 103 -12.357 -1.267 8.153 871 HA2 GLY 103 HA2 GLY 103 -11.328 -0.356 10.037 872 HA3 GLY 103 HA3 GLY 103 -10.706 -1.941 10.470 873 H TYR 104 H TYR 104 -10.265 -0.703 7.226 874 HA TYR 104 HA TYR 104 -7.378 -0.268 7.755 875 HB2 TYR 104 HB2 TYR 104 -8.695 -0.662 5.032 876 HB3 TYR 104 HB3 TYR 104 -6.972 -0.703 5.397 877 HD1 TYR 104 HD2 TYR 104 -6.849 -2.530 7.732 878 HD2 TYR 104 HD1 TYR 104 -9.215 -2.794 4.199 879 HE1 TYR 104 HE2 TYR 104 -7.004 -4.961 8.006 880 HE2 TYR 104 HE1 TYR 104 -9.368 -5.220 4.473 881 HH TYR 104 HH TYR 104 -8.050 -7.033 5.605 882 H ASP 105 H ASP 105 -6.491 1.740 7.340 883 HA ASP 105 HA ASP 105 -8.299 3.974 6.847 884 HB2 ASP 105 HB2 ASP 105 -6.547 4.129 8.597 885 HB3 ASP 105 HB3 ASP 105 -5.300 3.917 7.368 886 H VAL 106 H VAL 106 -8.792 4.480 4.783 887 HA VAL 106 HA VAL 106 -6.954 3.625 2.646 888 HB VAL 106 HB VAL 106 -9.953 4.091 2.371 889 HG11 VAL 106 HG11 VAL 106 -7.927 2.679 0.595 890 HG12 VAL 106 HG12 VAL 106 -8.710 4.224 0.262 891 HG13 VAL 106 HG13 VAL 106 -9.666 2.744 0.300 892 HG21 VAL 106 HG21 VAL 106 -9.571 2.274 3.991 893 HG22 VAL 106 HG22 VAL 106 -8.505 1.461 2.844 894 HG23 VAL 106 HG23 VAL 106 -10.222 1.640 2.476 895 H TYR 107 H TYR 107 -6.184 5.055 1.244 896 HA TYR 107 HA TYR 107 -7.350 7.759 1.009 897 HB2 TYR 107 HB2 TYR 107 -4.491 6.835 0.433 898 HB3 TYR 107 HB3 TYR 107 -5.099 8.480 0.237 899 HD1 TYR 107 HD1 TYR 107 -6.059 9.652 2.342 900 HD2 TYR 107 HD2 TYR 107 -3.585 6.179 2.539 901 HE1 TYR 107 HE1 TYR 107 -5.571 10.128 4.699 902 HE2 TYR 107 HE2 TYR 107 -3.104 6.653 4.903 903 HH TYR 107 HH TYR 107 -4.842 8.599 6.761 904 H THR 108 H THR 108 -7.764 8.512 -1.007 905 HA THR 108 HA THR 108 -7.620 6.656 -3.302 906 HB THR 108 HB THR 108 -9.439 8.178 -4.250 907 HG1 THR 108 HG1 THR 108 -10.522 9.297 -2.265 908 HG21 THR 108 HG21 THR 108 -11.269 7.257 -2.863 909 HG22 THR 108 HG22 THR 108 -10.102 6.791 -1.626 910 HG23 THR 108 HG23 THR 108 -10.055 6.029 -3.219 911 H SER 109 H SER 109 -6.902 7.522 -5.319 912 HA SER 109 HA SER 109 -5.864 10.235 -5.461 913 HB2 SER 109 HB2 SER 109 -3.561 9.390 -6.161 914 HB3 SER 109 HB3 SER 109 -3.946 9.187 -4.458 915 HG SER 109 HG SER 109 -4.598 6.988 -5.081 916 H ARG 110 H ARG 110 -6.083 11.005 -7.450 917 HA ARG 110 HA ARG 110 -7.392 9.541 -9.500 918 HB2 ARG 110 HB2 ARG 110 -6.133 12.302 -9.378 919 HB3 ARG 110 HB3 ARG 110 -6.934 11.718 -10.828 920 HG2 ARG 110 HG2 ARG 110 -8.239 12.044 -8.100 921 HG3 ARG 110 HG3 ARG 110 -8.390 13.167 -9.449 922 HD2 ARG 110 HD2 ARG 110 -9.368 10.292 -9.407 923 HD3 ARG 110 HD3 ARG 110 -10.377 11.734 -9.277 924 HE ARG 110 HE ARG 110 -8.922 10.821 -11.675 925 HH11 ARG 110 HH11 ARG 110 -11.410 12.904 -10.283 926 HH12 ARG 110 HH12 ARG 110 -12.008 13.399 -11.829 927 HH21 ARG 110 HH21 ARG 110 -9.685 11.537 -13.666 928 HH22 ARG 110 HH22 ARG 110 -11.033 12.624 -13.742 929 H ASN 111 H ASN 111 -4.045 10.198 -8.832 930 HA ASN 111 HA ASN 111 -3.022 8.664 -11.020 931 HB2 ASN 111 HB2 ASN 111 -1.840 10.629 -12.155 932 HB3 ASN 111 HB3 ASN 111 -3.580 10.559 -12.400 933 HD21 ASN 111 HD21 ASN 111 -1.013 12.261 -10.772 934 HD22 ASN 111 HD22 ASN 111 -1.937 13.648 -10.347 935 H GLU 112 H GLU 112 -0.518 9.410 -11.282 936 HA GLU 112 HA GLU 112 0.828 8.388 -9.108 937 HB2 GLU 112 HB2 GLU 112 1.814 8.312 -11.295 938 HB3 GLU 112 HB3 GLU 112 1.784 10.053 -11.471 939 HG2 GLU 112 HG2 GLU 112 3.472 8.985 -9.243 940 HG3 GLU 112 HG3 GLU 112 4.030 8.623 -10.870 941 H ASP 113 H ASP 113 0.388 11.804 -9.941 942 HA ASP 113 HA ASP 113 2.123 12.992 -8.096 943 HB2 ASP 113 HB2 ASP 113 -0.500 14.122 -9.184 944 HB3 ASP 113 HB3 ASP 113 0.802 15.067 -8.468 945 H GLU 114 H GLU 114 -1.364 12.328 -7.810 946 HA GLU 114 HA GLU 114 -1.619 13.240 -5.110 947 HB2 GLU 114 HB2 GLU 114 -3.428 11.736 -7.016 948 HB3 GLU 114 HB3 GLU 114 -3.873 11.881 -5.317 949 HG2 GLU 114 HG2 GLU 114 -4.932 13.605 -6.748 950 HG3 GLU 114 HG3 GLU 114 -3.952 14.275 -5.453 951 H ALA 115 H ALA 115 -1.069 10.122 -6.631 952 HA ALA 115 HA ALA 115 -1.447 8.386 -4.439 953 HB1 ALA 115 HB1 ALA 115 -1.322 7.638 -6.786 954 HB2 ALA 115 HB2 ALA 115 -0.149 6.777 -5.785 955 HB3 ALA 115 HB3 ALA 115 0.383 8.086 -6.847 956 H LYS 116 H LYS 116 1.248 10.252 -5.596 957 HA LYS 116 HA LYS 116 3.328 9.211 -4.004 958 HB2 LYS 116 HB2 LYS 116 3.757 10.456 -6.050 959 HB3 LYS 116 HB3 LYS 116 2.953 11.886 -5.410 960 HG2 LYS 116 HG2 LYS 116 4.741 12.238 -3.795 961 HG3 LYS 116 HG3 LYS 116 5.521 10.725 -4.268 962 HD2 LYS 116 HD2 LYS 116 5.092 13.113 -6.105 963 HD3 LYS 116 HD3 LYS 116 6.606 12.733 -5.282 964 HE2 LYS 116 HE2 LYS 116 6.852 10.683 -6.539 965 HE3 LYS 116 HE3 LYS 116 5.239 10.847 -7.234 966 HZ1 LYS 116 HZ1 LYS 116 5.978 12.823 -8.393 967 HZ2 LYS 116 HZ2 LYS 116 6.941 11.501 -8.789 968 HZ3 LYS 116 HZ3 LYS 116 7.527 12.675 -7.725 969 H LYS 117 H LYS 117 1.308 12.191 -3.650 970 HA LYS 117 HA LYS 117 2.571 12.974 -1.223 971 HB2 LYS 117 HB2 LYS 117 0.786 14.664 -0.989 972 HB3 LYS 117 HB3 LYS 117 1.480 14.654 -2.601 973 HG2 LYS 117 HG2 LYS 117 -0.495 13.444 -3.457 974 HG3 LYS 117 HG3 LYS 117 -1.188 13.426 -1.835 975 HD2 LYS 117 HD2 LYS 117 -2.198 15.191 -3.237 976 HD3 LYS 117 HD3 LYS 117 -1.359 15.878 -1.845 977 HE2 LYS 117 HE2 LYS 117 -0.934 17.202 -3.866 978 HE3 LYS 117 HE3 LYS 117 0.560 16.453 -3.304 979 HZ1 LYS 117 HZ1 LYS 117 0.282 16.302 -5.715 980 HZ2 LYS 117 HZ2 LYS 117 -1.141 15.410 -5.509 981 HZ3 LYS 117 HZ3 LYS 117 0.337 14.772 -5.000 982 H LYS 118 H LYS 118 -0.299 11.011 -1.876 983 HA LYS 118 HA LYS 118 -1.262 10.804 0.791 984 HB2 LYS 118 HB2 LYS 118 -1.510 8.864 -1.554 985 HB3 LYS 118 HB3 LYS 118 -2.368 8.659 -0.036 986 HG2 LYS 118 HG2 LYS 118 -2.750 10.927 -2.016 987 HG3 LYS 118 HG3 LYS 118 -3.820 9.549 -1.785 988 HD2 LYS 118 HD2 LYS 118 -4.956 11.128 -0.542 989 HD3 LYS 118 HD3 LYS 118 -3.928 10.458 0.723 990 HE2 LYS 118 HE2 LYS 118 -2.295 12.367 0.172 991 HE3 LYS 118 HE3 LYS 118 -3.602 13.067 -0.780 992 HZ1 LYS 118 HZ1 LYS 118 -4.944 13.241 1.159 993 HZ2 LYS 118 HZ2 LYS 118 -3.430 13.907 1.525 994 HZ3 LYS 118 HZ3 LYS 118 -3.839 12.370 2.089 995 H LEU 119 H LEU 119 1.057 8.918 -1.089 996 HA LEU 119 HA LEU 119 1.540 6.854 0.788 997 HB2 LEU 119 HB2 LEU 119 2.142 7.200 -1.831 998 HB3 LEU 119 HB3 LEU 119 3.694 7.647 -1.158 999 HG LEU 119 HG LEU 119 2.290 4.983 -0.710 1000 HD11 LEU 119 HD11 LEU 119 2.970 5.203 -3.029 1001 HD12 LEU 119 HD12 LEU 119 3.975 4.016 -2.203 1002 HD13 LEU 119 HD13 LEU 119 4.614 5.628 -2.544 1003 HD21 LEU 119 HD21 LEU 119 3.740 5.538 1.174 1004 HD22 LEU 119 HD22 LEU 119 5.096 5.823 0.079 1005 HD23 LEU 119 HD23 LEU 119 4.412 4.203 0.240 1006 H LYS 120 H LYS 120 3.062 9.988 0.148 1007 HA LYS 120 HA LYS 120 5.288 9.724 1.902 1008 HB2 LYS 120 HB2 LYS 120 3.952 12.232 0.806 1009 HB3 LYS 120 HB3 LYS 120 5.508 12.203 1.640 1010 HG2 LYS 120 HG2 LYS 120 6.461 10.807 -0.111 1011 HG3 LYS 120 HG3 LYS 120 4.904 10.741 -0.934 1012 HD2 LYS 120 HD2 LYS 120 6.227 12.381 -2.090 1013 HD3 LYS 120 HD3 LYS 120 5.002 13.268 -1.173 1014 HE2 LYS 120 HE2 LYS 120 7.242 14.313 -1.024 1015 HE3 LYS 120 HE3 LYS 120 6.654 13.791 0.558 1016 HZ1 LYS 120 HZ1 LYS 120 8.540 12.258 -1.143 1017 HZ2 LYS 120 HZ2 LYS 120 8.030 11.835 0.403 1018 HZ3 LYS 120 HZ3 LYS 120 8.984 13.203 0.175 1019 H GLU 121 H GLU 121 2.069 11.188 2.255 1020 HA GLU 121 HA GLU 121 2.345 12.125 4.902 1021 HB2 GLU 121 HB2 GLU 121 -0.093 11.267 3.293 1022 HB3 GLU 121 HB3 GLU 121 -0.221 11.930 4.923 1023 HG2 GLU 121 HG2 GLU 121 0.756 14.031 4.202 1024 HG3 GLU 121 HG3 GLU 121 1.088 13.381 2.606 1025 H ALA 122 H ALA 122 1.307 8.984 3.592 1026 HA ALA 122 HA ALA 122 0.722 7.690 6.051 1027 HB1 ALA 122 HB1 ALA 122 -0.057 6.862 3.869 1028 HB2 ALA 122 HB2 ALA 122 0.843 5.612 4.731 1029 HB3 ALA 122 HB3 ALA 122 1.602 6.492 3.399 1030 H LEU 123 H LEU 123 3.720 8.161 4.243 1031 HA LEU 123 HA LEU 123 5.416 6.482 5.798 1032 HB2 LEU 123 HB2 LEU 123 6.015 8.882 3.999 1033 HB3 LEU 123 HB3 LEU 123 7.280 7.947 4.788 1034 HG LEU 123 HG LEU 123 5.305 6.852 2.747 1035 HD11 LEU 123 HD11 LEU 123 6.891 8.389 1.703 1036 HD12 LEU 123 HD12 LEU 123 7.190 6.729 1.198 1037 HD13 LEU 123 HD13 LEU 123 8.247 7.489 2.391 1038 HD21 LEU 123 HD21 LEU 123 6.693 4.824 2.734 1039 HD22 LEU 123 HD22 LEU 123 5.973 5.110 4.316 1040 HD23 LEU 123 HD23 LEU 123 7.678 5.480 4.043 1041 H GLU 124 H GLU 124 4.536 9.925 5.974 1042 HA GLU 124 HA GLU 124 6.257 10.624 8.141 1043 HB2 GLU 124 HB2 GLU 124 3.743 11.987 7.083 1044 HB3 GLU 124 HB3 GLU 124 4.830 12.695 8.276 1045 HG2 GLU 124 HG2 GLU 124 6.671 12.672 6.649 1046 HG3 GLU 124 HG3 GLU 124 5.622 11.917 5.455 1047 H LYS 125 H LYS 125 2.990 9.337 7.960 1048 HA LYS 125 HA LYS 125 2.256 9.729 10.703 1049 HB2 LYS 125 HB2 LYS 125 1.144 7.831 8.585 1050 HB3 LYS 125 HB3 LYS 125 0.430 8.042 10.184 1051 HG2 LYS 125 HG2 LYS 125 -0.077 10.370 9.720 1052 HG3 LYS 125 HG3 LYS 125 0.786 10.291 8.184 1053 HD2 LYS 125 HD2 LYS 125 -0.905 8.528 7.452 1054 HD3 LYS 125 HD3 LYS 125 -1.827 8.920 8.908 1055 HE2 LYS 125 HE2 LYS 125 -1.096 10.878 6.701 1056 HE3 LYS 125 HE3 LYS 125 -2.670 10.123 6.913 1057 HZ1 LYS 125 HZ1 LYS 125 -2.627 12.368 7.782 1058 HZ2 LYS 125 HZ2 LYS 125 -1.378 11.964 8.845 1059 HZ3 LYS 125 HZ3 LYS 125 -2.898 11.257 9.027 1060 H SER 126 H SER 126 3.971 7.224 8.946 1061 HA SER 126 HA SER 126 4.140 5.443 11.257 1062 HB2 SER 126 HB2 SER 126 5.513 4.036 9.672 1063 HB3 SER 126 HB3 SER 126 3.887 4.391 9.099 1064 HG SER 126 HG SER 126 4.675 5.522 7.507 1065 H GLY 127 H GLY 127 5.634 8.273 10.483 1066 HA2 GLY 127 HA2 GLY 127 7.196 9.242 11.969 1067 HA3 GLY 127 HA3 GLY 127 7.889 7.657 12.280 1068 H SER 128 H SER 128 7.719 7.326 9.180 1069 HA SER 128 HA SER 128 10.430 7.910 8.613 1070 HB2 SER 128 HB2 SER 128 8.112 7.143 6.787 1071 HB3 SER 128 HB3 SER 128 9.808 7.153 6.302 1072 HG SER 128 HG SER 128 9.903 5.231 7.101 1073 H LEU 129 H LEU 129 11.067 10.003 8.577 1074 HA LEU 129 HA LEU 129 9.542 12.004 6.999 1075 HB2 LEU 129 HB2 LEU 129 11.569 12.504 9.226 1076 HB3 LEU 129 HB3 LEU 129 10.637 13.730 8.381 1077 HG LEU 129 HG LEU 129 9.551 11.642 10.312 1078 HD11 LEU 129 HD11 LEU 129 8.968 13.550 11.734 1079 HD12 LEU 129 HD12 LEU 129 9.709 14.659 10.577 1080 HD13 LEU 129 HD13 LEU 129 10.704 13.479 11.435 1081 HD21 LEU 129 HD21 LEU 129 7.350 12.717 10.043 1082 HD22 LEU 129 HD22 LEU 129 7.908 11.979 8.546 1083 HD23 LEU 129 HD23 LEU 129 7.999 13.730 8.749 1084 H GLU 130 H GLU 130 10.561 13.017 5.313 1085 HA GLU 130 HA GLU 130 13.244 12.287 4.528 1086 HB2 GLU 130 HB2 GLU 130 12.898 13.944 2.671 1087 HB3 GLU 130 HB3 GLU 130 11.662 12.696 2.748 1088 HG2 GLU 130 HG2 GLU 130 10.066 14.237 3.695 1089 HG3 GLU 130 HG3 GLU 130 11.297 15.487 3.866 1090 H HIS 131 H HIS 131 15.070 13.241 5.212 1091 HA HIS 131 HA HIS 131 14.895 15.667 6.876 1092 HB2 HIS 131 HB2 HIS 131 17.128 13.610 6.576 1093 HB3 HIS 131 HB3 HIS 131 17.222 15.032 7.611 1094 HD2 HIS 131 HD2 HIS 131 15.319 11.604 7.456 1095 HE1 HIS 131 HE1 HIS 131 14.995 13.224 11.347 1096 HE2 HIS 131 HE2 HIS 131 14.308 11.327 9.825 1097 H HIS 132 H HIS 132 15.948 17.510 6.436 1098 HA HIS 132 HA HIS 132 18.091 17.649 4.451 1099 HB2 HIS 132 HB2 HIS 132 16.192 18.288 3.056 1100 HB3 HIS 132 HB3 HIS 132 15.562 19.368 4.293 1101 HD2 HIS 132 HD2 HIS 132 16.526 21.953 4.201 1102 HE1 HIS 132 HE1 HIS 132 19.439 21.286 1.212 1103 HE2 HIS 132 HE2 HIS 132 18.107 23.039 2.461 1104 H HIS 133 H HIS 133 19.660 18.988 5.146 1105 HA HIS 133 HA HIS 133 19.040 21.177 6.995 1106 HB2 HIS 133 HB2 HIS 133 19.893 19.286 8.403 1107 HB3 HIS 133 HB3 HIS 133 21.368 19.249 7.440 1108 HD1 HIS 133 HD1 HIS 133 23.140 21.062 7.919 1109 HD2 HIS 133 HD2 HIS 133 19.664 21.536 10.144 1110 HE1 HIS 133 HE1 HIS 133 23.655 22.847 9.608 1111 HE2 HIS 133 HE2 HIS 133 21.617 22.938 11.074 1112 H HIS 134 H HIS 134 19.468 22.833 5.638 1113 HA HIS 134 HA HIS 134 21.675 22.906 3.809 1114 HB2 HIS 134 HB2 HIS 134 21.138 25.256 3.454 1115 HB3 HIS 134 HB3 HIS 134 19.634 24.351 3.532 1116 HD1 HIS 134 HD1 HIS 134 21.570 27.039 5.262 1117 HD2 HIS 134 HD2 HIS 134 17.987 24.984 5.773 1118 HE1 HIS 134 HE1 HIS 134 20.289 28.326 6.990 1119 HE2 HIS 134 HE2 HIS 134 18.069 27.160 7.154 1120 H HIS 135 H HIS 135 23.760 23.689 4.138 1121 HA HIS 135 HA HIS 135 24.707 23.507 6.848 1122 HB2 HIS 135 HB2 HIS 135 26.195 24.113 4.253 1123 HB3 HIS 135 HB3 HIS 135 26.990 23.918 5.812 1124 HD1 HIS 135 HD1 HIS 135 28.067 22.015 3.988 1125 HD2 HIS 135 HD2 HIS 135 24.431 21.224 5.835 1126 HE1 HIS 135 HE1 HIS 135 27.763 19.528 3.845 1127 HE2 HIS 135 HE2 HIS 135 25.496 19.102 4.842 1128 H HIS 136 H HIS 136 24.532 26.140 4.463 1129 HA HIS 136 HA HIS 136 24.655 28.151 6.617 1130 HB2 HIS 136 HB2 HIS 136 26.410 28.233 4.112 1131 HB3 HIS 136 HB3 HIS 136 26.225 29.562 5.251 1132 HD1 HIS 136 HD1 HIS 136 27.291 29.235 7.623 1133 HD2 HIS 136 HD2 HIS 136 28.171 26.211 4.909 1134 HE1 HIS 136 HE1 HIS 136 29.173 27.926 8.650 1135 HE2 HIS 136 HE2 HIS 136 29.715 26.132 6.975 Start of MODEL 7 1 H1 MET 1 H1 MET 1 7.300 0.373 16.190 2 H2 MET 1 H2 MET 1 7.536 -0.228 14.633 3 H3 MET 1 H3 MET 1 7.284 -1.289 15.917 4 HA MET 1 HA MET 1 5.063 -0.554 16.213 5 HB2 MET 1 HB2 MET 1 5.623 1.326 13.868 6 HB3 MET 1 HB3 MET 1 4.047 1.090 14.620 7 HG2 MET 1 HG2 MET 1 4.916 2.022 16.726 8 HG3 MET 1 HG3 MET 1 6.492 2.261 15.964 9 HE1 MET 1 HE1 MET 1 6.530 4.811 16.621 10 HE2 MET 1 HE2 MET 1 4.977 4.621 17.442 11 HE3 MET 1 HE3 MET 1 5.208 5.928 16.281 12 H GLY 2 H GLY 2 6.274 -0.435 12.830 13 HA2 GLY 2 HA2 GLY 2 6.027 -1.962 11.097 14 HA3 GLY 2 HA3 GLY 2 5.103 -3.020 12.158 15 H VAL 3 H VAL 3 4.801 -1.187 9.466 16 HA VAL 3 HA VAL 3 1.870 -0.897 9.706 17 HB VAL 3 HB VAL 3 3.743 1.336 8.737 18 HG11 VAL 3 HG11 VAL 3 0.707 1.327 8.738 19 HG12 VAL 3 HG12 VAL 3 1.748 1.247 7.315 20 HG13 VAL 3 HG13 VAL 3 1.731 2.699 8.317 21 HG21 VAL 3 HG21 VAL 3 1.901 1.297 11.158 22 HG22 VAL 3 HG22 VAL 3 2.805 2.702 10.594 23 HG23 VAL 3 HG23 VAL 3 3.666 1.279 11.178 24 H VAL 4 H VAL 4 0.863 -1.339 7.678 25 HA VAL 4 HA VAL 4 2.671 -2.015 5.416 26 HB VAL 4 HB VAL 4 -0.014 -3.314 6.094 27 HG11 VAL 4 HG11 VAL 4 0.593 -4.983 4.371 28 HG12 VAL 4 HG12 VAL 4 2.052 -4.064 3.989 29 HG13 VAL 4 HG13 VAL 4 0.461 -3.359 3.691 30 HG21 VAL 4 HG21 VAL 4 1.652 -3.910 7.792 31 HG22 VAL 4 HG22 VAL 4 2.791 -4.413 6.542 32 HG23 VAL 4 HG23 VAL 4 1.289 -5.307 6.776 33 H ILE 5 H ILE 5 2.480 -0.460 3.933 34 HA ILE 5 HA ILE 5 -0.066 0.909 3.429 35 HB ILE 5 HB ILE 5 2.702 1.612 2.311 36 HG12 ILE 5 HG12 ILE 5 2.420 3.696 3.907 37 HG13 ILE 5 HG13 ILE 5 1.262 2.697 4.775 38 HG21 ILE 5 HG21 ILE 5 0.083 3.167 2.217 39 HG22 ILE 5 HG22 ILE 5 0.874 2.365 0.857 40 HG23 ILE 5 HG23 ILE 5 1.639 3.755 1.627 41 HD11 ILE 5 HD11 ILE 5 4.184 2.046 4.346 42 HD12 ILE 5 HD12 ILE 5 3.027 1.067 5.254 43 HD13 ILE 5 HD13 ILE 5 3.460 2.678 5.826 44 H LEU 6 H LEU 6 -1.260 -0.211 1.965 45 HA LEU 6 HA LEU 6 -0.045 -1.731 -0.233 46 HB2 LEU 6 HB2 LEU 6 -2.949 -1.448 0.620 47 HB3 LEU 6 HB3 LEU 6 -2.336 -2.606 -0.546 48 HG LEU 6 HG LEU 6 -1.638 -2.594 2.416 49 HD11 LEU 6 HD11 LEU 6 -3.124 -4.535 2.605 50 HD12 LEU 6 HD12 LEU 6 -3.618 -4.335 0.920 51 HD13 LEU 6 HD13 LEU 6 -3.997 -3.085 2.110 52 HD21 LEU 6 HD21 LEU 6 0.101 -3.594 1.035 53 HD22 LEU 6 HD22 LEU 6 -1.081 -4.665 0.277 54 HD23 LEU 6 HD23 LEU 6 -0.721 -4.814 2.000 55 H VAL 7 H VAL 7 0.516 -0.236 -1.794 56 HA VAL 7 HA VAL 7 -1.388 1.809 -2.657 57 HB VAL 7 HB VAL 7 1.412 1.244 -3.764 58 HG11 VAL 7 HG11 VAL 7 -0.376 3.701 -4.021 59 HG12 VAL 7 HG12 VAL 7 -0.027 2.531 -5.293 60 HG13 VAL 7 HG13 VAL 7 1.265 3.551 -4.661 61 HG21 VAL 7 HG21 VAL 7 2.221 3.105 -2.347 62 HG22 VAL 7 HG22 VAL 7 1.582 1.783 -1.368 63 HG23 VAL 7 HG23 VAL 7 0.623 3.247 -1.604 64 H LEU 8 H LEU 8 -2.982 0.875 -3.791 65 HA LEU 8 HA LEU 8 -2.554 -1.241 -5.759 66 HB2 LEU 8 HB2 LEU 8 -5.056 0.164 -4.724 67 HB3 LEU 8 HB3 LEU 8 -5.096 -0.963 -6.068 68 HG LEU 8 HG LEU 8 -4.224 -2.758 -4.518 69 HD11 LEU 8 HD11 LEU 8 -4.382 -2.474 -2.103 70 HD12 LEU 8 HD12 LEU 8 -4.745 -0.760 -2.316 71 HD13 LEU 8 HD13 LEU 8 -3.174 -1.396 -2.802 72 HD21 LEU 8 HD21 LEU 8 -6.378 -3.169 -3.426 73 HD22 LEU 8 HD22 LEU 8 -6.585 -2.619 -5.086 74 HD23 LEU 8 HD23 LEU 8 -6.867 -1.502 -3.748 75 H THR 9 H THR 9 -1.633 -0.422 -7.577 76 HA THR 9 HA THR 9 -2.577 2.126 -8.727 77 HB THR 9 HB THR 9 -0.486 2.030 -10.076 78 HG1 THR 9 HG1 THR 9 0.844 0.327 -9.997 79 HG21 THR 9 HG21 THR 9 0.051 1.697 -7.102 80 HG22 THR 9 HG22 THR 9 -0.350 3.207 -7.923 81 HG23 THR 9 HG23 THR 9 1.176 2.395 -8.273 82 H GLY 10 H GLY 10 -3.549 2.139 -10.710 83 HA2 GLY 10 HA2 GLY 10 -4.501 -0.259 -11.956 84 HA3 GLY 10 HA3 GLY 10 -4.651 1.377 -12.581 85 H ASP 11 H ASP 11 -1.437 0.986 -12.054 86 HA ASP 11 HA ASP 11 -0.672 -0.443 -14.463 87 HB2 ASP 11 HB2 ASP 11 -1.212 1.772 -15.360 88 HB3 ASP 11 HB3 ASP 11 -0.278 2.568 -14.102 89 H GLU 12 H GLU 12 1.375 -1.267 -14.263 90 HA GLU 12 HA GLU 12 2.452 -1.450 -11.605 91 HB2 GLU 12 HB2 GLU 12 2.229 -3.364 -13.177 92 HB3 GLU 12 HB3 GLU 12 3.438 -2.641 -14.225 93 HG2 GLU 12 HG2 GLU 12 5.141 -2.915 -12.470 94 HG3 GLU 12 HG3 GLU 12 3.932 -3.605 -11.383 95 H ARG 13 H ARG 13 3.367 0.270 -14.540 96 HA ARG 13 HA ARG 13 6.071 0.863 -13.895 97 HB2 ARG 13 HB2 ARG 13 4.612 1.222 -16.140 98 HB3 ARG 13 HB3 ARG 13 4.414 2.836 -15.492 99 HG2 ARG 13 HG2 ARG 13 7.058 1.507 -16.180 100 HG3 ARG 13 HG3 ARG 13 6.220 2.706 -17.163 101 HD2 ARG 13 HD2 ARG 13 7.413 3.158 -14.408 102 HD3 ARG 13 HD3 ARG 13 8.081 3.732 -15.936 103 HE ARG 13 HE ARG 13 5.825 4.828 -14.451 104 HH11 ARG 13 HH11 ARG 13 7.575 4.890 -17.514 105 HH12 ARG 13 HH12 ARG 13 6.948 6.442 -17.967 106 HH21 ARG 13 HH21 ARG 13 5.102 6.896 -15.028 107 HH22 ARG 13 HH22 ARG 13 5.552 7.577 -16.562 108 H ILE 14 H ILE 14 2.984 2.481 -13.185 109 HA ILE 14 HA ILE 14 3.921 4.704 -11.723 110 HB ILE 14 HB ILE 14 1.297 3.183 -11.325 111 HG12 ILE 14 HG12 ILE 14 1.917 5.618 -13.070 112 HG13 ILE 14 HG13 ILE 14 1.544 4.000 -13.648 113 HG21 ILE 14 HG21 ILE 14 0.428 5.271 -10.287 114 HG22 ILE 14 HG22 ILE 14 2.025 6.007 -10.430 115 HG23 ILE 14 HG23 ILE 14 1.791 4.614 -9.374 116 HD11 ILE 14 HD11 ILE 14 -0.343 5.843 -12.183 117 HD12 ILE 14 HD12 ILE 14 -0.719 4.205 -12.723 118 HD13 ILE 14 HD13 ILE 14 -0.352 5.459 -13.905 119 H ALA 15 H ALA 15 3.215 1.364 -10.747 120 HA ALA 15 HA ALA 15 3.443 1.655 -7.949 121 HB1 ALA 15 HB1 ALA 15 3.954 -0.813 -9.648 122 HB2 ALA 15 HB2 ALA 15 2.396 -0.301 -9.001 123 HB3 ALA 15 HB3 ALA 15 3.679 -0.798 -7.900 124 H GLU 16 H GLU 16 5.889 0.894 -10.435 125 HA GLU 16 HA GLU 16 7.998 0.355 -8.558 126 HB2 GLU 16 HB2 GLU 16 8.129 -0.787 -10.656 127 HB3 GLU 16 HB3 GLU 16 8.013 0.715 -11.573 128 HG2 GLU 16 HG2 GLU 16 10.224 1.380 -10.998 129 HG3 GLU 16 HG3 GLU 16 10.333 0.207 -9.692 130 H GLU 17 H GLU 17 7.111 3.202 -10.545 131 HA GLU 17 HA GLU 17 9.469 4.690 -9.894 132 HB2 GLU 17 HB2 GLU 17 8.367 6.629 -10.871 133 HB3 GLU 17 HB3 GLU 17 8.132 5.215 -11.890 134 HG2 GLU 17 HG2 GLU 17 5.838 4.961 -10.970 135 HG3 GLU 17 HG3 GLU 17 6.080 6.420 -10.011 136 H LEU 18 H LEU 18 6.328 4.333 -8.339 137 HA LEU 18 HA LEU 18 6.714 6.281 -6.281 138 HB2 LEU 18 HB2 LEU 18 4.927 3.828 -6.402 139 HB3 LEU 18 HB3 LEU 18 4.920 4.954 -5.054 140 HG LEU 18 HG LEU 18 4.154 5.632 -7.925 141 HD11 LEU 18 HD11 LEU 18 1.856 5.829 -7.071 142 HD12 LEU 18 HD12 LEU 18 2.394 5.314 -5.469 143 HD13 LEU 18 HD13 LEU 18 2.494 4.201 -6.836 144 HD21 LEU 18 HD21 LEU 18 5.173 7.573 -6.835 145 HD22 LEU 18 HD22 LEU 18 4.079 7.410 -5.458 146 HD23 LEU 18 HD23 LEU 18 3.441 7.823 -7.052 147 H ARG 19 H ARG 19 7.740 2.913 -6.670 148 HA ARG 19 HA ARG 19 8.555 2.386 -4.000 149 HB2 ARG 19 HB2 ARG 19 8.350 0.627 -5.783 150 HB3 ARG 19 HB3 ARG 19 9.785 1.278 -6.568 151 HG2 ARG 19 HG2 ARG 19 11.063 0.778 -4.424 152 HG3 ARG 19 HG3 ARG 19 9.620 -0.058 -3.843 153 HD2 ARG 19 HD2 ARG 19 11.126 -1.703 -4.752 154 HD3 ARG 19 HD3 ARG 19 9.762 -1.554 -5.867 155 HE ARG 19 HE ARG 19 12.317 -0.130 -6.319 156 HH11 ARG 19 HH11 ARG 19 9.801 -2.257 -7.542 157 HH12 ARG 19 HH12 ARG 19 10.468 -2.312 -9.144 158 HH21 ARG 19 HH21 ARG 19 13.172 -0.220 -8.414 159 HH22 ARG 19 HH22 ARG 19 12.373 -1.160 -9.636 160 H LYS 20 H LYS 20 10.308 3.605 -6.826 161 HA LYS 20 HA LYS 20 12.838 4.099 -5.711 162 HB2 LYS 20 HB2 LYS 20 11.429 5.675 -7.917 163 HB3 LYS 20 HB3 LYS 20 13.166 5.655 -7.614 164 HG2 LYS 20 HG2 LYS 20 13.289 3.293 -8.239 165 HG3 LYS 20 HG3 LYS 20 11.533 3.226 -8.437 166 HD2 LYS 20 HD2 LYS 20 11.679 4.869 -10.289 167 HD3 LYS 20 HD3 LYS 20 13.435 4.940 -10.091 168 HE2 LYS 20 HE2 LYS 20 13.572 2.531 -10.674 169 HE3 LYS 20 HE3 LYS 20 11.822 2.504 -10.912 170 HZ1 LYS 20 HZ1 LYS 20 13.056 2.760 -12.989 171 HZ2 LYS 20 HZ2 LYS 20 13.712 4.211 -12.436 172 HZ3 LYS 20 HZ3 LYS 20 12.049 4.080 -12.692 173 H GLU 21 H GLU 21 9.875 5.981 -5.764 174 HA GLU 21 HA GLU 21 10.820 8.430 -4.759 175 HB2 GLU 21 HB2 GLU 21 8.488 7.723 -5.820 176 HB3 GLU 21 HB3 GLU 21 8.017 7.423 -4.155 177 HG2 GLU 21 HG2 GLU 21 8.978 10.058 -5.305 178 HG3 GLU 21 HG3 GLU 21 7.308 9.630 -4.962 179 H VAL 22 H VAL 22 9.291 5.638 -3.084 180 HA VAL 22 HA VAL 22 9.412 6.580 -0.448 181 HB VAL 22 HB VAL 22 9.565 3.659 -1.369 182 HG11 VAL 22 HG11 VAL 22 10.275 3.860 0.982 183 HG12 VAL 22 HG12 VAL 22 8.701 3.071 0.890 184 HG13 VAL 22 HG13 VAL 22 8.811 4.767 1.375 185 HG21 VAL 22 HG21 VAL 22 7.128 5.304 -0.582 186 HG22 VAL 22 HG22 VAL 22 7.129 3.587 -0.994 187 HG23 VAL 22 HG23 VAL 22 7.548 4.787 -2.215 188 H GLN 23 H GLN 23 11.808 4.826 -2.381 189 HA GLN 23 HA GLN 23 13.683 4.301 -0.320 190 HB2 GLN 23 HB2 GLN 23 14.043 4.501 -3.335 191 HB3 GLN 23 HB3 GLN 23 15.309 3.957 -2.236 192 HG2 GLN 23 HG2 GLN 23 12.621 2.611 -2.636 193 HG3 GLN 23 HG3 GLN 23 14.157 2.067 -3.308 194 HE21 GLN 23 HE21 GLN 23 12.278 0.734 -1.468 195 HE22 GLN 23 HE22 GLN 23 13.202 0.303 -0.077 196 H LYS 24 H LYS 24 13.266 7.066 -2.500 197 HA LYS 24 HA LYS 24 15.705 8.401 -1.656 198 HB2 LYS 24 HB2 LYS 24 13.337 9.459 -3.248 199 HB3 LYS 24 HB3 LYS 24 14.865 10.308 -3.014 200 HG2 LYS 24 HG2 LYS 24 16.046 8.492 -4.232 201 HG3 LYS 24 HG3 LYS 24 14.500 7.678 -4.492 202 HD2 LYS 24 HD2 LYS 24 15.271 10.432 -5.532 203 HD3 LYS 24 HD3 LYS 24 15.171 8.955 -6.492 204 HE2 LYS 24 HE2 LYS 24 12.749 8.838 -6.126 205 HE3 LYS 24 HE3 LYS 24 12.814 10.243 -5.055 206 HZ1 LYS 24 HZ1 LYS 24 13.580 10.278 -7.922 207 HZ2 LYS 24 HZ2 LYS 24 13.489 11.612 -6.891 208 HZ3 LYS 24 HZ3 LYS 24 12.085 10.779 -7.322 209 H HIS 25 H HIS 25 12.334 8.400 -0.739 210 HA HIS 25 HA HIS 25 12.347 10.777 0.880 211 HB2 HIS 25 HB2 HIS 25 10.272 9.906 -0.136 212 HB3 HIS 25 HB3 HIS 25 10.420 8.401 0.758 213 HD2 HIS 25 HD2 HIS 25 9.770 8.585 3.519 214 HE1 HIS 25 HE1 HIS 25 7.823 12.309 3.098 215 HE2 HIS 25 HE2 HIS 25 8.098 10.267 4.545 216 H ASP 26 H ASP 26 12.805 7.334 1.412 217 HA ASP 26 HA ASP 26 14.371 7.555 3.747 218 HB2 ASP 26 HB2 ASP 26 12.062 7.984 4.741 219 HB3 ASP 26 HB3 ASP 26 11.583 6.373 4.216 220 HA PRO 27 HA PRO 27 15.025 3.666 1.393 221 HB2 PRO 27 HB2 PRO 27 17.691 3.446 1.704 222 HB3 PRO 27 HB3 PRO 27 17.000 4.760 0.727 223 HG2 PRO 27 HG2 PRO 27 18.065 4.858 3.527 224 HG3 PRO 27 HG3 PRO 27 18.259 6.031 2.206 225 HD2 PRO 27 HD2 PRO 27 16.371 6.235 4.270 226 HD3 PRO 27 HD3 PRO 27 16.285 7.100 2.718 227 H ASN 28 H ASN 28 14.700 3.969 4.619 228 HA ASN 28 HA ASN 28 15.805 1.325 5.367 229 HB2 ASN 28 HB2 ASN 28 14.738 3.547 7.166 230 HB3 ASN 28 HB3 ASN 28 15.461 2.038 7.714 231 HD21 ASN 28 HD21 ASN 28 17.601 2.128 5.633 232 HD22 ASN 28 HD22 ASN 28 18.694 3.353 6.163 233 H VAL 29 H VAL 29 12.861 3.021 4.725 234 HA VAL 29 HA VAL 29 11.009 1.177 5.891 235 HB VAL 29 HB VAL 29 10.656 3.063 3.496 236 HG11 VAL 29 HG11 VAL 29 8.501 1.590 5.071 237 HG12 VAL 29 HG12 VAL 29 8.961 1.279 3.398 238 HG13 VAL 29 HG13 VAL 29 8.206 2.812 3.830 239 HG21 VAL 29 HG21 VAL 29 9.860 3.432 6.412 240 HG22 VAL 29 HG22 VAL 29 9.499 4.559 5.101 241 HG23 VAL 29 HG23 VAL 29 11.172 4.265 5.576 242 H LYS 30 H LYS 30 10.299 -0.776 5.124 243 HA LYS 30 HA LYS 30 11.605 -2.152 2.991 244 HB2 LYS 30 HB2 LYS 30 9.172 -2.808 4.709 245 HB3 LYS 30 HB3 LYS 30 9.736 -3.901 3.450 246 HG2 LYS 30 HG2 LYS 30 11.444 -2.968 5.781 247 HG3 LYS 30 HG3 LYS 30 10.520 -4.473 5.774 248 HD2 LYS 30 HD2 LYS 30 12.694 -3.761 3.767 249 HD3 LYS 30 HD3 LYS 30 12.922 -4.787 5.176 250 HE2 LYS 30 HE2 LYS 30 11.280 -6.402 4.292 251 HE3 LYS 30 HE3 LYS 30 11.014 -5.363 2.886 252 HZ1 LYS 30 HZ1 LYS 30 13.345 -5.656 2.296 253 HZ2 LYS 30 HZ2 LYS 30 12.541 -7.136 2.370 254 HZ3 LYS 30 HZ3 LYS 30 13.568 -6.680 3.619 255 H THR 31 H THR 31 10.829 -2.685 0.960 256 HA THR 31 HA THR 31 8.173 -1.747 0.071 257 HB THR 31 HB THR 31 9.154 -0.907 -2.108 258 HG1 THR 31 HG1 THR 31 11.588 -1.323 -0.699 259 HG21 THR 31 HG21 THR 31 8.530 0.740 -0.375 260 HG22 THR 31 HG22 THR 31 9.931 1.282 -1.301 261 HG23 THR 31 HG23 THR 31 10.149 0.624 0.323 262 H VAL 32 H VAL 32 7.212 -3.181 -1.310 263 HA VAL 32 HA VAL 32 8.803 -5.344 -2.538 264 HB VAL 32 HB VAL 32 6.165 -5.904 -1.083 265 HG11 VAL 32 HG11 VAL 32 6.793 -8.280 -1.367 266 HG12 VAL 32 HG12 VAL 32 8.265 -7.798 -2.214 267 HG13 VAL 32 HG13 VAL 32 6.686 -7.454 -2.924 268 HG21 VAL 32 HG21 VAL 32 7.452 -7.001 0.701 269 HG22 VAL 32 HG22 VAL 32 7.854 -5.287 0.596 270 HG23 VAL 32 HG23 VAL 32 8.965 -6.491 -0.058 271 HA PRO 33 HA PRO 33 5.967 -3.971 -5.821 272 HB2 PRO 33 HB2 PRO 33 6.979 -5.429 -7.893 273 HB3 PRO 33 HB3 PRO 33 7.841 -4.028 -7.219 274 HG2 PRO 33 HG2 PRO 33 8.315 -6.947 -6.718 275 HG3 PRO 33 HG3 PRO 33 9.494 -5.644 -6.983 276 HD2 PRO 33 HD2 PRO 33 8.831 -6.604 -4.484 277 HD3 PRO 33 HD3 PRO 33 9.427 -4.955 -4.778 278 H THR 34 H THR 34 4.883 -5.326 -7.744 279 HA THR 34 HA THR 34 2.641 -6.455 -6.461 280 HB THR 34 HB THR 34 1.768 -6.678 -8.797 281 HG1 THR 34 HG1 THR 34 3.150 -6.361 -10.527 282 HG21 THR 34 HG21 THR 34 1.669 -4.431 -7.757 283 HG22 THR 34 HG22 THR 34 1.986 -4.297 -9.486 284 HG23 THR 34 HG23 THR 34 3.302 -4.078 -8.332 285 H LYS 35 H LYS 35 5.194 -7.883 -8.423 286 HA LYS 35 HA LYS 35 3.911 -10.468 -8.701 287 HB2 LYS 35 HB2 LYS 35 5.937 -11.002 -10.064 288 HB3 LYS 35 HB3 LYS 35 5.101 -9.544 -10.585 289 HG2 LYS 35 HG2 LYS 35 6.827 -8.209 -9.247 290 HG3 LYS 35 HG3 LYS 35 7.714 -9.724 -9.047 291 HD2 LYS 35 HD2 LYS 35 8.648 -8.471 -10.930 292 HD3 LYS 35 HD3 LYS 35 7.868 -9.939 -11.530 293 HE2 LYS 35 HE2 LYS 35 5.837 -8.562 -12.081 294 HE3 LYS 35 HE3 LYS 35 6.730 -7.119 -11.604 295 HZ1 LYS 35 HZ1 LYS 35 6.774 -7.458 -13.984 296 HZ2 LYS 35 HZ2 LYS 35 7.483 -8.979 -13.790 297 HZ3 LYS 35 HZ3 LYS 35 8.332 -7.591 -13.346 298 H ASP 36 H ASP 36 5.462 -9.206 -6.142 299 HA ASP 36 HA ASP 36 6.595 -11.804 -5.264 300 HB2 ASP 36 HB2 ASP 36 7.235 -8.956 -4.345 301 HB3 ASP 36 HB3 ASP 36 7.846 -10.403 -3.555 302 H LYS 37 H LYS 37 3.801 -11.244 -5.338 303 HA LYS 37 HA LYS 37 2.629 -10.114 -3.100 304 HB2 LYS 37 HB2 LYS 37 1.426 -10.735 -5.188 305 HB3 LYS 37 HB3 LYS 37 1.541 -12.434 -4.766 306 HG2 LYS 37 HG2 LYS 37 0.139 -10.509 -2.897 307 HG3 LYS 37 HG3 LYS 37 -0.700 -11.098 -4.329 308 HD2 LYS 37 HD2 LYS 37 -0.623 -13.376 -3.550 309 HD3 LYS 37 HD3 LYS 37 0.533 -12.980 -2.279 310 HE2 LYS 37 HE2 LYS 37 -1.203 -11.647 -1.124 311 HE3 LYS 37 HE3 LYS 37 -2.360 -12.060 -2.389 312 HZ1 LYS 37 HZ1 LYS 37 -2.691 -13.490 -0.533 313 HZ2 LYS 37 HZ2 LYS 37 -1.060 -13.931 -0.489 314 HZ3 LYS 37 HZ3 LYS 37 -2.029 -14.418 -1.782 315 H GLU 38 H GLU 38 3.555 -13.516 -3.548 316 HA GLU 38 HA GLU 38 2.560 -14.494 -1.066 317 HB2 GLU 38 HB2 GLU 38 4.785 -15.636 -2.804 318 HB3 GLU 38 HB3 GLU 38 3.899 -16.505 -1.553 319 HG2 GLU 38 HG2 GLU 38 1.815 -16.283 -2.875 320 HG3 GLU 38 HG3 GLU 38 2.704 -15.411 -4.126 321 H LYS 39 H LYS 39 5.616 -13.114 -2.084 322 HA LYS 39 HA LYS 39 7.088 -13.639 0.332 323 HB2 LYS 39 HB2 LYS 39 7.632 -11.812 -2.040 324 HB3 LYS 39 HB3 LYS 39 8.757 -12.031 -0.700 325 HG2 LYS 39 HG2 LYS 39 9.047 -14.394 -1.259 326 HG3 LYS 39 HG3 LYS 39 7.805 -14.283 -2.512 327 HD2 LYS 39 HD2 LYS 39 10.093 -14.210 -3.487 328 HD3 LYS 39 HD3 LYS 39 9.186 -12.731 -3.808 329 HE2 LYS 39 HE2 LYS 39 10.400 -11.650 -1.871 330 HE3 LYS 39 HE3 LYS 39 11.389 -13.107 -1.746 331 HZ1 LYS 39 HZ1 LYS 39 12.453 -11.350 -3.042 332 HZ2 LYS 39 HZ2 LYS 39 11.193 -11.388 -4.162 333 HZ3 LYS 39 HZ3 LYS 39 12.192 -12.735 -3.964 334 H VAL 40 H VAL 40 4.920 -11.091 -0.754 335 HA VAL 40 HA VAL 40 5.661 -8.931 0.843 336 HB VAL 40 HB VAL 40 2.849 -9.836 0.037 337 HG11 VAL 40 HG11 VAL 40 3.680 -7.188 1.274 338 HG12 VAL 40 HG12 VAL 40 2.640 -8.411 2.007 339 HG13 VAL 40 HG13 VAL 40 2.094 -7.532 0.580 340 HG21 VAL 40 HG21 VAL 40 4.313 -9.226 -1.866 341 HG22 VAL 40 HG22 VAL 40 4.612 -7.648 -1.138 342 HG23 VAL 40 HG23 VAL 40 2.989 -8.075 -1.685 343 H LYS 41 H LYS 41 3.650 -11.747 1.617 344 HA LYS 41 HA LYS 41 2.785 -11.167 4.190 345 HB2 LYS 41 HB2 LYS 41 1.985 -13.062 2.793 346 HB3 LYS 41 HB3 LYS 41 3.540 -13.866 2.972 347 HG2 LYS 41 HG2 LYS 41 3.135 -14.061 5.411 348 HG3 LYS 41 HG3 LYS 41 1.561 -13.288 5.198 349 HD2 LYS 41 HD2 LYS 41 0.862 -15.173 3.711 350 HD3 LYS 41 HD3 LYS 41 2.430 -15.945 3.983 351 HE2 LYS 41 HE2 LYS 41 1.901 -16.023 6.433 352 HE3 LYS 41 HE3 LYS 41 0.296 -15.386 6.068 353 HZ1 LYS 41 HZ1 LYS 41 -0.105 -17.337 4.692 354 HZ2 LYS 41 HZ2 LYS 41 0.259 -17.774 6.282 355 HZ3 LYS 41 HZ3 LYS 41 1.423 -17.941 5.072 356 H GLU 42 H GLU 42 5.805 -12.674 3.085 357 HA GLU 42 HA GLU 42 7.024 -13.245 5.567 358 HB2 GLU 42 HB2 GLU 42 8.338 -12.540 2.897 359 HB3 GLU 42 HB3 GLU 42 9.172 -13.262 4.270 360 HG2 GLU 42 HG2 GLU 42 6.921 -14.545 2.697 361 HG3 GLU 42 HG3 GLU 42 8.640 -14.909 2.521 362 H GLU 43 H GLU 43 7.269 -10.460 3.406 363 HA GLU 43 HA GLU 43 9.283 -9.094 4.864 364 HB2 GLU 43 HB2 GLU 43 7.404 -8.006 2.737 365 HB3 GLU 43 HB3 GLU 43 8.942 -7.303 3.225 366 HG2 GLU 43 HG2 GLU 43 8.653 -10.032 1.935 367 HG3 GLU 43 HG3 GLU 43 8.967 -8.553 1.042 368 H ILE 44 H ILE 44 5.766 -8.993 4.982 369 HA ILE 44 HA ILE 44 5.361 -6.600 6.435 370 HB ILE 44 HB ILE 44 3.725 -9.184 6.321 371 HG12 ILE 44 HG12 ILE 44 3.203 -6.412 5.135 372 HG13 ILE 44 HG13 ILE 44 3.743 -7.828 4.242 373 HG21 ILE 44 HG21 ILE 44 1.863 -8.007 7.489 374 HG22 ILE 44 HG22 ILE 44 2.932 -6.639 7.797 375 HG23 ILE 44 HG23 ILE 44 3.277 -8.203 8.531 376 HD11 ILE 44 HD11 ILE 44 1.398 -7.435 3.886 377 HD12 ILE 44 HD12 ILE 44 1.081 -7.509 5.618 378 HD13 ILE 44 HD13 ILE 44 1.629 -8.950 4.754 379 H GLU 45 H GLU 45 5.781 -9.979 7.488 380 HA GLU 45 HA GLU 45 5.697 -9.507 10.272 381 HB2 GLU 45 HB2 GLU 45 5.300 -11.725 9.282 382 HB3 GLU 45 HB3 GLU 45 6.975 -11.804 8.730 383 HG2 GLU 45 HG2 GLU 45 7.769 -11.802 11.052 384 HG3 GLU 45 HG3 GLU 45 6.115 -11.636 11.640 385 H LYS 46 H LYS 46 8.361 -9.674 7.953 386 HA LYS 46 HA LYS 46 10.513 -9.498 9.821 387 HB2 LYS 46 HB2 LYS 46 10.353 -8.994 6.821 388 HB3 LYS 46 HB3 LYS 46 11.867 -8.956 7.724 389 HG2 LYS 46 HG2 LYS 46 11.652 -11.304 8.317 390 HG3 LYS 46 HG3 LYS 46 10.031 -11.378 7.622 391 HD2 LYS 46 HD2 LYS 46 10.938 -11.032 5.370 392 HD3 LYS 46 HD3 LYS 46 12.569 -10.836 6.024 393 HE2 LYS 46 HE2 LYS 46 12.211 -13.090 5.061 394 HE3 LYS 46 HE3 LYS 46 12.577 -13.163 6.781 395 HZ1 LYS 46 HZ1 LYS 46 9.838 -13.317 5.651 396 HZ2 LYS 46 HZ2 LYS 46 10.275 -13.545 7.263 397 HZ3 LYS 46 HZ3 LYS 46 10.765 -14.656 6.089 398 H ALA 47 H ALA 47 8.595 -7.100 8.077 399 HA ALA 47 HA ALA 47 10.198 -4.804 8.707 400 HB1 ALA 47 HB1 ALA 47 7.261 -4.962 7.919 401 HB2 ALA 47 HB2 ALA 47 8.624 -4.799 6.810 402 HB3 ALA 47 HB3 ALA 47 8.253 -3.495 7.939 403 H ARG 48 H ARG 48 7.226 -6.236 10.062 404 HA ARG 48 HA ARG 48 6.749 -4.545 12.231 405 HB2 ARG 48 HB2 ARG 48 5.070 -6.143 11.516 406 HB3 ARG 48 HB3 ARG 48 6.151 -7.505 11.789 407 HG2 ARG 48 HG2 ARG 48 6.050 -7.113 14.221 408 HG3 ARG 48 HG3 ARG 48 5.001 -5.715 13.961 409 HD2 ARG 48 HD2 ARG 48 3.689 -7.653 14.627 410 HD3 ARG 48 HD3 ARG 48 3.283 -7.189 12.986 411 HE ARG 48 HE ARG 48 4.304 -9.131 12.177 412 HH11 ARG 48 HH11 ARG 48 4.486 -9.032 15.692 413 HH12 ARG 48 HH12 ARG 48 4.853 -10.721 15.829 414 HH21 ARG 48 HH21 ARG 48 4.678 -11.327 12.382 415 HH22 ARG 48 HH22 ARG 48 4.966 -12.022 13.947 416 H LYS 49 H LYS 49 8.865 -7.323 11.873 417 HA LYS 49 HA LYS 49 9.499 -7.751 14.604 418 HB2 LYS 49 HB2 LYS 49 9.755 -9.297 12.475 419 HB3 LYS 49 HB3 LYS 49 11.321 -8.532 12.287 420 HG2 LYS 49 HG2 LYS 49 10.470 -9.997 14.807 421 HG3 LYS 49 HG3 LYS 49 11.278 -10.791 13.453 422 HD2 LYS 49 HD2 LYS 49 13.248 -9.349 13.758 423 HD3 LYS 49 HD3 LYS 49 12.435 -8.485 15.068 424 HE2 LYS 49 HE2 LYS 49 12.344 -10.593 16.379 425 HE3 LYS 49 HE3 LYS 49 13.211 -11.426 15.082 426 HZ1 LYS 49 HZ1 LYS 49 15.084 -9.975 15.423 427 HZ2 LYS 49 HZ2 LYS 49 14.671 -10.705 16.889 428 HZ3 LYS 49 HZ3 LYS 49 14.247 -9.100 16.600 429 H GLN 50 H GLN 50 10.928 -5.760 12.044 430 HA GLN 50 HA GLN 50 13.166 -4.890 13.746 431 HB2 GLN 50 HB2 GLN 50 12.531 -4.286 10.830 432 HB3 GLN 50 HB3 GLN 50 14.004 -3.804 11.677 433 HG2 GLN 50 HG2 GLN 50 14.641 -6.147 11.991 434 HG3 GLN 50 HG3 GLN 50 13.120 -6.679 11.273 435 HE21 GLN 50 HE21 GLN 50 14.132 -7.842 9.644 436 HE22 GLN 50 HE22 GLN 50 14.971 -7.095 8.337 437 H GLY 51 H GLY 51 10.017 -3.815 12.964 438 HA2 GLY 51 HA2 GLY 51 9.026 -2.194 14.410 439 HA3 GLY 51 HA3 GLY 51 10.538 -1.311 14.457 440 H ARG 52 H ARG 52 10.728 -1.611 11.418 441 HA ARG 52 HA ARG 52 9.282 0.885 10.892 442 HB2 ARG 52 HB2 ARG 52 11.657 -0.477 9.583 443 HB3 ARG 52 HB3 ARG 52 10.761 0.765 8.704 444 HG2 ARG 52 HG2 ARG 52 11.118 2.311 10.660 445 HG3 ARG 52 HG3 ARG 52 12.181 1.091 11.361 446 HD2 ARG 52 HD2 ARG 52 13.727 1.302 9.499 447 HD3 ARG 52 HD3 ARG 52 12.620 2.387 8.646 448 HE ARG 52 HE ARG 52 13.928 3.037 11.223 449 HH11 ARG 52 HH11 ARG 52 12.752 4.073 8.079 450 HH12 ARG 52 HH12 ARG 52 13.252 5.716 8.298 451 HH21 ARG 52 HH21 ARG 52 14.548 5.200 11.508 452 HH22 ARG 52 HH22 ARG 52 14.269 6.353 10.243 453 HA PRO 53 HA PRO 53 6.159 -0.832 8.321 454 HB2 PRO 53 HB2 PRO 53 5.599 1.137 6.532 455 HB3 PRO 53 HB3 PRO 53 5.320 1.351 8.272 456 HG2 PRO 53 HG2 PRO 53 7.649 2.279 6.628 457 HG3 PRO 53 HG3 PRO 53 6.675 3.184 7.811 458 HD2 PRO 53 HD2 PRO 53 9.071 2.086 8.468 459 HD3 PRO 53 HD3 PRO 53 7.741 2.219 9.640 460 H ILE 54 H ILE 54 5.410 -0.972 5.955 461 HA ILE 54 HA ILE 54 7.502 -1.590 4.017 462 HB ILE 54 HB ILE 54 7.202 -3.752 5.030 463 HG12 ILE 54 HG12 ILE 54 5.540 -3.583 2.471 464 HG13 ILE 54 HG13 ILE 54 7.266 -3.905 2.595 465 HG21 ILE 54 HG21 ILE 54 5.038 -4.843 5.448 466 HG22 ILE 54 HG22 ILE 54 4.192 -3.423 4.830 467 HG23 ILE 54 HG23 ILE 54 5.144 -3.301 6.307 468 HD11 ILE 54 HD11 ILE 54 5.028 -5.716 3.481 469 HD12 ILE 54 HD12 ILE 54 6.748 -6.044 3.704 470 HD13 ILE 54 HD13 ILE 54 6.078 -5.917 2.079 471 H VAL 55 H VAL 55 6.897 -0.584 2.176 472 HA VAL 55 HA VAL 55 4.095 0.035 1.613 473 HB VAL 55 HB VAL 55 6.587 0.941 0.090 474 HG11 VAL 55 HG11 VAL 55 5.071 2.612 -0.933 475 HG12 VAL 55 HG12 VAL 55 3.705 1.916 -0.056 476 HG13 VAL 55 HG13 VAL 55 4.546 0.961 -1.278 477 HG21 VAL 55 HG21 VAL 55 4.995 2.458 2.203 478 HG22 VAL 55 HG22 VAL 55 6.315 3.122 1.232 479 HG23 VAL 55 HG23 VAL 55 6.635 1.826 2.384 480 H VAL 56 H VAL 56 3.165 -1.656 0.768 481 HA VAL 56 HA VAL 56 4.383 -3.517 -1.107 482 HB VAL 56 HB VAL 56 1.525 -3.408 -0.003 483 HG11 VAL 56 HG11 VAL 56 3.003 -5.709 -1.354 484 HG12 VAL 56 HG12 VAL 56 1.691 -4.758 -2.055 485 HG13 VAL 56 HG13 VAL 56 1.382 -5.791 -0.656 486 HG21 VAL 56 HG21 VAL 56 3.899 -4.994 1.064 487 HG22 VAL 56 HG22 VAL 56 2.236 -5.099 1.649 488 HG23 VAL 56 HG23 VAL 56 3.142 -3.597 1.839 489 H PHE 57 H PHE 57 3.830 -3.607 -3.262 490 HA PHE 57 HA PHE 57 1.987 -1.556 -4.338 491 HB2 PHE 57 HB2 PHE 57 4.421 -2.876 -5.629 492 HB3 PHE 57 HB3 PHE 57 3.340 -1.730 -6.434 493 HD1 PHE 57 HD1 PHE 57 3.036 0.603 -5.368 494 HD2 PHE 57 HD2 PHE 57 6.244 -2.028 -4.296 495 HE1 PHE 57 HE1 PHE 57 4.249 2.488 -4.364 496 HE2 PHE 57 HE2 PHE 57 7.456 -0.127 -3.307 497 HZ PHE 57 HZ PHE 57 6.455 2.128 -3.337 498 H VAL 58 H VAL 58 0.316 -2.221 -5.431 499 HA VAL 58 HA VAL 58 -0.122 -5.078 -6.063 500 HB VAL 58 HB VAL 58 -2.028 -3.119 -4.659 501 HG11 VAL 58 HG11 VAL 58 -3.693 -4.917 -4.625 502 HG12 VAL 58 HG12 VAL 58 -2.604 -5.962 -5.539 503 HG13 VAL 58 HG13 VAL 58 -3.253 -4.499 -6.282 504 HG21 VAL 58 HG21 VAL 58 -0.842 -5.726 -3.612 505 HG22 VAL 58 HG22 VAL 58 -1.990 -4.696 -2.753 506 HG23 VAL 58 HG23 VAL 58 -0.368 -4.101 -3.112 507 H ARG 59 H ARG 59 -0.924 -5.297 -8.176 508 HA ARG 59 HA ARG 59 -1.311 -2.791 -9.684 509 HB2 ARG 59 HB2 ARG 59 0.416 -4.412 -10.469 510 HB3 ARG 59 HB3 ARG 59 -0.841 -5.618 -10.724 511 HG2 ARG 59 HG2 ARG 59 -1.892 -4.135 -12.424 512 HG3 ARG 59 HG3 ARG 59 -0.596 -2.958 -12.179 513 HD2 ARG 59 HD2 ARG 59 1.053 -4.689 -12.911 514 HD3 ARG 59 HD3 ARG 59 -0.296 -5.788 -13.238 515 HE ARG 59 HE ARG 59 -0.990 -3.665 -14.700 516 HH11 ARG 59 HH11 ARG 59 2.069 -5.385 -14.523 517 HH12 ARG 59 HH12 ARG 59 2.504 -5.018 -16.161 518 HH21 ARG 59 HH21 ARG 59 -0.403 -3.161 -16.837 519 HH22 ARG 59 HH22 ARG 59 1.097 -3.753 -17.480 520 H GLY 60 H GLY 60 -3.447 -2.413 -8.915 521 HA2 GLY 60 HA2 GLY 60 -5.673 -2.173 -9.307 522 HA3 GLY 60 HA3 GLY 60 -5.320 -2.764 -10.913 523 H GLY 61 H GLY 61 -5.573 -5.025 -11.362 524 HA2 GLY 61 HA2 GLY 61 -7.911 -6.220 -10.288 525 HA3 GLY 61 HA3 GLY 61 -6.785 -6.970 -11.409 526 H ASP 62 H ASP 62 -4.688 -6.352 -9.116 527 HA ASP 62 HA ASP 62 -4.938 -8.867 -7.685 528 HB2 ASP 62 HB2 ASP 62 -2.877 -6.619 -7.574 529 HB3 ASP 62 HB3 ASP 62 -2.789 -8.049 -6.548 530 H ASP 63 H ASP 63 -6.645 -6.163 -7.267 531 HA ASP 63 HA ASP 63 -6.600 -5.402 -4.594 532 HB2 ASP 63 HB2 ASP 63 -8.001 -4.245 -6.217 533 HB3 ASP 63 HB3 ASP 63 -8.934 -5.693 -6.547 534 H GLU 64 H GLU 64 -8.021 -8.232 -6.103 535 HA GLU 64 HA GLU 64 -9.437 -9.340 -3.949 536 HB2 GLU 64 HB2 GLU 64 -9.671 -10.041 -6.337 537 HB3 GLU 64 HB3 GLU 64 -8.065 -10.758 -6.277 538 HG2 GLU 64 HG2 GLU 64 -9.603 -12.557 -6.071 539 HG3 GLU 64 HG3 GLU 64 -8.929 -12.308 -4.465 540 H ARG 65 H ARG 65 -6.038 -9.592 -4.884 541 HA ARG 65 HA ARG 65 -5.295 -11.415 -2.748 542 HB2 ARG 65 HB2 ARG 65 -3.654 -9.778 -4.732 543 HB3 ARG 65 HB3 ARG 65 -2.971 -10.954 -3.608 544 HG2 ARG 65 HG2 ARG 65 -4.206 -12.770 -4.674 545 HG3 ARG 65 HG3 ARG 65 -5.034 -11.630 -5.736 546 HD2 ARG 65 HD2 ARG 65 -2.865 -11.050 -6.787 547 HD3 ARG 65 HD3 ARG 65 -2.051 -12.212 -5.729 548 HE ARG 65 HE ARG 65 -3.853 -13.793 -6.876 549 HH11 ARG 65 HH11 ARG 65 -1.727 -11.426 -8.361 550 HH12 ARG 65 HH12 ARG 65 -1.634 -12.283 -9.859 551 HH21 ARG 65 HH21 ARG 65 -3.728 -14.904 -8.856 552 HH22 ARG 65 HH22 ARG 65 -2.768 -14.254 -10.147 553 H ALA 66 H ALA 66 -5.418 -7.952 -3.246 554 HA ALA 66 HA ALA 66 -3.535 -7.126 -1.275 555 HB1 ALA 66 HB1 ALA 66 -4.466 -4.874 -1.597 556 HB2 ALA 66 HB2 ALA 66 -5.829 -5.549 -2.500 557 HB3 ALA 66 HB3 ALA 66 -4.193 -5.673 -3.144 558 H LYS 67 H LYS 67 -7.013 -7.767 -1.214 559 HA LYS 67 HA LYS 67 -7.612 -6.666 1.335 560 HB2 LYS 67 HB2 LYS 67 -9.701 -7.903 1.217 561 HB3 LYS 67 HB3 LYS 67 -9.327 -7.329 -0.406 562 HG2 LYS 67 HG2 LYS 67 -8.442 -9.578 -0.980 563 HG3 LYS 67 HG3 LYS 67 -8.873 -10.146 0.632 564 HD2 LYS 67 HD2 LYS 67 -11.281 -9.622 0.097 565 HD3 LYS 67 HD3 LYS 67 -10.776 -9.222 -1.550 566 HE2 LYS 67 HE2 LYS 67 -9.883 -11.534 -1.810 567 HE3 LYS 67 HE3 LYS 67 -10.486 -11.928 -0.195 568 HZ1 LYS 67 HZ1 LYS 67 -11.984 -12.613 -1.984 569 HZ2 LYS 67 HZ2 LYS 67 -12.164 -11.004 -2.453 570 HZ3 LYS 67 HZ3 LYS 67 -12.708 -11.505 -0.942 571 H ASP 68 H ASP 68 -6.313 -9.767 0.312 572 HA ASP 68 HA ASP 68 -6.516 -11.143 2.822 573 HB2 ASP 68 HB2 ASP 68 -4.924 -11.735 0.286 574 HB3 ASP 68 HB3 ASP 68 -4.963 -12.815 1.671 575 H ILE 69 H ILE 69 -3.946 -9.439 1.080 576 HA ILE 69 HA ILE 69 -1.844 -9.771 2.951 577 HB ILE 69 HB ILE 69 -2.350 -7.508 0.951 578 HG12 ILE 69 HG12 ILE 69 -0.596 -10.006 0.682 579 HG13 ILE 69 HG13 ILE 69 -2.139 -9.745 -0.125 580 HG21 ILE 69 HG21 ILE 69 0.217 -8.197 2.431 581 HG22 ILE 69 HG22 ILE 69 -0.781 -6.762 2.680 582 HG23 ILE 69 HG23 ILE 69 0.069 -6.990 1.152 583 HD11 ILE 69 HD11 ILE 69 -1.166 -7.877 -1.377 584 HD12 ILE 69 HD12 ILE 69 -0.300 -9.388 -1.644 585 HD13 ILE 69 HD13 ILE 69 0.387 -8.158 -0.585 586 H ALA 70 H ALA 70 -4.497 -7.484 2.651 587 HA ALA 70 HA ALA 70 -3.694 -5.562 4.584 588 HB1 ALA 70 HB1 ALA 70 -5.951 -4.673 4.338 589 HB2 ALA 70 HB2 ALA 70 -6.485 -6.153 3.534 590 HB3 ALA 70 HB3 ALA 70 -5.303 -5.100 2.757 591 H GLU 71 H GLU 71 -5.906 -8.354 4.683 592 HA GLU 71 HA GLU 71 -6.782 -8.019 7.372 593 HB2 GLU 71 HB2 GLU 71 -8.020 -9.357 5.641 594 HB3 GLU 71 HB3 GLU 71 -6.746 -10.577 5.688 595 HG2 GLU 71 HG2 GLU 71 -7.239 -10.846 8.170 596 HG3 GLU 71 HG3 GLU 71 -8.645 -9.811 7.936 597 H TYR 72 H TYR 72 -4.149 -9.843 5.843 598 HA TYR 72 HA TYR 72 -3.193 -11.194 8.149 599 HB2 TYR 72 HB2 TYR 72 -2.454 -11.982 5.963 600 HB3 TYR 72 HB3 TYR 72 -1.745 -10.415 5.571 601 HD1 TYR 72 HD1 TYR 72 -1.421 -13.256 8.038 602 HD2 TYR 72 HD2 TYR 72 0.573 -10.034 6.051 603 HE1 TYR 72 HE1 TYR 72 0.709 -13.933 9.057 604 HE2 TYR 72 HE2 TYR 72 2.700 -10.724 7.065 605 HH TYR 72 HH TYR 72 3.408 -11.993 9.157 606 H ALA 73 H ALA 73 -2.392 -8.088 6.672 607 HA ALA 73 HA ALA 73 -0.271 -7.251 8.303 608 HB1 ALA 73 HB1 ALA 73 -0.877 -6.173 6.191 609 HB2 ALA 73 HB2 ALA 73 -0.880 -4.982 7.495 610 HB3 ALA 73 HB3 ALA 73 -2.405 -5.622 6.877 611 H GLN 74 H GLN 74 -3.774 -6.838 8.603 612 HA GLN 74 HA GLN 74 -3.757 -5.395 11.073 613 HB2 GLN 74 HB2 GLN 74 -5.600 -5.168 9.486 614 HB3 GLN 74 HB3 GLN 74 -5.977 -6.888 9.615 615 HG2 GLN 74 HG2 GLN 74 -6.663 -6.598 11.939 616 HG3 GLN 74 HG3 GLN 74 -6.189 -4.896 11.897 617 HE21 GLN 74 HE21 GLN 74 -7.499 -3.423 10.796 618 HE22 GLN 74 HE22 GLN 74 -9.101 -3.810 10.282 619 H LYS 75 H LYS 75 -3.843 -8.810 10.193 620 HA LYS 75 HA LYS 75 -4.518 -9.883 12.741 621 HB2 LYS 75 HB2 LYS 75 -4.621 -11.162 10.555 622 HB3 LYS 75 HB3 LYS 75 -2.868 -11.203 10.539 623 HG2 LYS 75 HG2 LYS 75 -3.388 -13.313 11.360 624 HG3 LYS 75 HG3 LYS 75 -3.107 -12.425 12.852 625 HD2 LYS 75 HD2 LYS 75 -5.860 -12.943 11.655 626 HD3 LYS 75 HD3 LYS 75 -5.111 -13.961 12.881 627 HE2 LYS 75 HE2 LYS 75 -5.181 -12.169 14.507 628 HE3 LYS 75 HE3 LYS 75 -5.706 -11.014 13.281 629 HZ1 LYS 75 HZ1 LYS 75 -7.744 -12.336 13.020 630 HZ2 LYS 75 HZ2 LYS 75 -7.575 -11.697 14.572 631 HZ3 LYS 75 HZ3 LYS 75 -7.251 -13.332 14.294 632 H GLU 76 H GLU 76 -1.527 -8.832 11.233 633 HA GLU 76 HA GLU 76 0.272 -9.624 13.328 634 HB2 GLU 76 HB2 GLU 76 0.565 -7.515 11.145 635 HB3 GLU 76 HB3 GLU 76 1.874 -8.093 12.165 636 HG2 GLU 76 HG2 GLU 76 0.310 -9.872 10.276 637 HG3 GLU 76 HG3 GLU 76 1.796 -9.044 9.832 638 H GLY 77 H GLY 77 -2.094 -7.221 13.087 639 HA2 GLY 77 HA2 GLY 77 -2.868 -5.756 14.694 640 HA3 GLY 77 HA3 GLY 77 -1.418 -6.045 15.642 641 H LEU 78 H LEU 78 -1.329 -5.117 12.267 642 HA LEU 78 HA LEU 78 0.202 -2.710 12.996 643 HB2 LEU 78 HB2 LEU 78 0.055 -4.101 10.291 644 HB3 LEU 78 HB3 LEU 78 1.167 -2.821 10.759 645 HG LEU 78 HG LEU 78 1.159 -5.705 11.700 646 HD11 LEU 78 HD11 LEU 78 2.217 -5.355 9.537 647 HD12 LEU 78 HD12 LEU 78 3.420 -5.785 10.750 648 HD13 LEU 78 HD13 LEU 78 3.266 -4.107 10.219 649 HD21 LEU 78 HD21 LEU 78 3.086 -5.145 13.158 650 HD22 LEU 78 HD22 LEU 78 1.594 -4.379 13.680 651 HD23 LEU 78 HD23 LEU 78 2.820 -3.433 12.835 652 H ARG 79 H ARG 79 -0.038 -0.788 11.806 653 HA ARG 79 HA ARG 79 -2.689 0.065 11.163 654 HB2 ARG 79 HB2 ARG 79 -0.053 1.436 10.463 655 HB3 ARG 79 HB3 ARG 79 -1.633 2.201 10.589 656 HG2 ARG 79 HG2 ARG 79 -1.637 1.816 13.025 657 HG3 ARG 79 HG3 ARG 79 -0.081 0.988 12.907 658 HD2 ARG 79 HD2 ARG 79 0.930 3.113 12.037 659 HD3 ARG 79 HD3 ARG 79 -0.622 3.918 12.295 660 HE ARG 79 HE ARG 79 0.267 2.660 14.682 661 HH11 ARG 79 HH11 ARG 79 0.892 5.517 12.702 662 HH12 ARG 79 HH12 ARG 79 1.496 6.442 14.038 663 HH21 ARG 79 HH21 ARG 79 1.081 3.896 16.400 664 HH22 ARG 79 HH22 ARG 79 1.604 5.529 16.124 665 H VAL 80 H VAL 80 -3.699 -0.442 9.243 666 HA VAL 80 HA VAL 80 -2.047 -1.095 6.866 667 HB VAL 80 HB VAL 80 -5.021 -1.676 7.232 668 HG11 VAL 80 HG11 VAL 80 -3.002 -2.769 5.228 669 HG12 VAL 80 HG12 VAL 80 -4.288 -1.608 4.888 670 HG13 VAL 80 HG13 VAL 80 -4.696 -3.260 5.355 671 HG21 VAL 80 HG21 VAL 80 -2.691 -3.559 7.776 672 HG22 VAL 80 HG22 VAL 80 -4.398 -4.013 7.774 673 HG23 VAL 80 HG23 VAL 80 -3.789 -2.879 8.981 674 H ILE 81 H ILE 81 -1.836 0.493 5.447 675 HA ILE 81 HA ILE 81 -3.897 2.608 5.175 676 HB ILE 81 HB ILE 81 -0.932 2.803 4.427 677 HG12 ILE 81 HG12 ILE 81 -1.132 2.539 6.904 678 HG13 ILE 81 HG13 ILE 81 -0.527 4.127 6.462 679 HG21 ILE 81 HG21 ILE 81 -3.092 4.933 4.654 680 HG22 ILE 81 HG22 ILE 81 -2.356 4.325 3.168 681 HG23 ILE 81 HG23 ILE 81 -1.389 5.245 4.319 682 HD11 ILE 81 HD11 ILE 81 -2.079 4.260 8.303 683 HD12 ILE 81 HD12 ILE 81 -3.329 3.467 7.345 684 HD13 ILE 81 HD13 ILE 81 -2.750 5.071 6.887 685 H VAL 82 H VAL 82 -5.052 2.249 3.293 686 HA VAL 82 HA VAL 82 -3.752 0.833 1.026 687 HB VAL 82 HB VAL 82 -6.719 1.204 1.664 688 HG11 VAL 82 HG11 VAL 82 -7.160 -0.407 -0.161 689 HG12 VAL 82 HG12 VAL 82 -5.442 -0.427 -0.563 690 HG13 VAL 82 HG13 VAL 82 -6.375 1.059 -0.759 691 HG21 VAL 82 HG21 VAL 82 -6.725 -1.212 2.211 692 HG22 VAL 82 HG22 VAL 82 -5.630 -0.315 3.263 693 HG23 VAL 82 HG23 VAL 82 -4.982 -1.285 1.937 694 H ILE 83 H ILE 83 -3.070 2.226 -0.562 695 HA ILE 83 HA ILE 83 -4.596 4.711 -1.107 696 HB ILE 83 HB ILE 83 -1.672 4.089 -1.757 697 HG12 ILE 83 HG12 ILE 83 -2.812 5.924 0.413 698 HG13 ILE 83 HG13 ILE 83 -2.100 4.340 0.698 699 HG21 ILE 83 HG21 ILE 83 -2.662 5.656 -3.386 700 HG22 ILE 83 HG22 ILE 83 -1.495 6.494 -2.362 701 HG23 ILE 83 HG23 ILE 83 -3.224 6.698 -2.073 702 HD11 ILE 83 HD11 ILE 83 -0.663 6.751 -0.386 703 HD12 ILE 83 HD12 ILE 83 0.048 5.158 -0.108 704 HD13 ILE 83 HD13 ILE 83 -0.564 6.102 1.249 705 H ILE 84 H ILE 84 -5.975 4.257 -2.729 706 HA ILE 84 HA ILE 84 -5.249 2.434 -4.921 707 HB ILE 84 HB ILE 84 -7.902 3.884 -4.460 708 HG12 ILE 84 HG12 ILE 84 -7.192 1.030 -3.613 709 HG13 ILE 84 HG13 ILE 84 -7.253 2.402 -2.511 710 HG21 ILE 84 HG21 ILE 84 -7.235 1.442 -6.167 711 HG22 ILE 84 HG22 ILE 84 -7.589 3.063 -6.771 712 HG23 ILE 84 HG23 ILE 84 -8.844 2.133 -5.950 713 HD11 ILE 84 HD11 ILE 84 -9.561 1.294 -4.084 714 HD12 ILE 84 HD12 ILE 84 -9.619 2.688 -3.000 715 HD13 ILE 84 HD13 ILE 84 -9.246 1.089 -2.363 716 H VAL 85 H VAL 85 -4.823 3.167 -6.959 717 HA VAL 85 HA VAL 85 -4.653 6.059 -7.434 718 HB VAL 85 HB VAL 85 -2.771 3.910 -8.515 719 HG11 VAL 85 HG11 VAL 85 -2.895 5.899 -9.944 720 HG12 VAL 85 HG12 VAL 85 -1.316 5.806 -9.163 721 HG13 VAL 85 HG13 VAL 85 -2.528 6.942 -8.567 722 HG21 VAL 85 HG21 VAL 85 -1.090 4.717 -6.871 723 HG22 VAL 85 HG22 VAL 85 -2.507 4.013 -6.084 724 HG23 VAL 85 HG23 VAL 85 -2.315 5.766 -6.147 725 H SER 86 H SER 86 -6.380 6.408 -8.662 726 HA SER 86 HA SER 86 -6.514 5.457 -11.364 727 HB2 SER 86 HB2 SER 86 -7.704 3.576 -10.252 728 HB3 SER 86 HB3 SER 86 -8.791 4.711 -9.455 729 HG SER 86 HG SER 86 -8.929 3.657 -11.939 730 H GLN 87 H GLN 87 -7.762 6.816 -12.605 731 HA GLN 87 HA GLN 87 -8.447 9.413 -11.555 732 HB2 GLN 87 HB2 GLN 87 -9.024 9.919 -13.951 733 HB3 GLN 87 HB3 GLN 87 -7.395 9.292 -13.730 734 HG2 GLN 87 HG2 GLN 87 -8.308 7.003 -14.410 735 HG3 GLN 87 HG3 GLN 87 -9.799 7.832 -14.858 736 HE21 GLN 87 HE21 GLN 87 -9.533 7.220 -17.059 737 HE22 GLN 87 HE22 GLN 87 -8.366 7.981 -18.078 738 H ASP 88 H ASP 88 -10.135 6.468 -12.273 739 HA ASP 88 HA ASP 88 -12.798 7.647 -12.306 740 HB2 ASP 88 HB2 ASP 88 -11.882 4.735 -12.266 741 HB3 ASP 88 HB3 ASP 88 -13.563 5.249 -12.393 742 H GLU 89 H GLU 89 -13.634 8.328 -10.431 743 HA GLU 89 HA GLU 89 -12.939 7.381 -7.854 744 HB2 GLU 89 HB2 GLU 89 -15.385 8.946 -8.746 745 HB3 GLU 89 HB3 GLU 89 -14.989 8.594 -7.063 746 HG2 GLU 89 HG2 GLU 89 -12.775 9.793 -7.424 747 HG3 GLU 89 HG3 GLU 89 -13.395 10.296 -9.000 748 H GLU 90 H GLU 90 -15.260 6.270 -10.200 749 HA GLU 90 HA GLU 90 -16.839 4.614 -8.533 750 HB2 GLU 90 HB2 GLU 90 -16.163 4.328 -11.491 751 HB3 GLU 90 HB3 GLU 90 -17.416 3.410 -10.661 752 HG2 GLU 90 HG2 GLU 90 -17.358 6.415 -11.083 753 HG3 GLU 90 HG3 GLU 90 -18.402 5.261 -11.903 754 H ALA 91 H ALA 91 -13.708 4.136 -10.079 755 HA ALA 91 HA ALA 91 -13.402 1.361 -9.350 756 HB1 ALA 91 HB1 ALA 91 -12.210 2.312 -11.286 757 HB2 ALA 91 HB2 ALA 91 -11.066 1.657 -10.111 758 HB3 ALA 91 HB3 ALA 91 -11.320 3.403 -10.224 759 H LEU 92 H LEU 92 -12.359 4.485 -8.050 760 HA LEU 92 HA LEU 92 -10.644 3.630 -5.998 761 HB2 LEU 92 HB2 LEU 92 -12.375 6.132 -6.154 762 HB3 LEU 92 HB3 LEU 92 -11.081 5.896 -4.990 763 HG LEU 92 HG LEU 92 -10.663 5.998 -8.004 764 HD11 LEU 92 HD11 LEU 92 -9.799 8.251 -7.696 765 HD12 LEU 92 HD12 LEU 92 -10.163 8.189 -5.970 766 HD13 LEU 92 HD13 LEU 92 -11.473 8.156 -7.152 767 HD21 LEU 92 HD21 LEU 92 -8.926 4.715 -6.846 768 HD22 LEU 92 HD22 LEU 92 -8.631 6.065 -5.748 769 HD23 LEU 92 HD23 LEU 92 -8.282 6.232 -7.473 770 H ARG 93 H ARG 93 -14.121 4.382 -5.924 771 HA ARG 93 HA ARG 93 -14.460 4.379 -3.129 772 HB2 ARG 93 HB2 ARG 93 -16.472 4.183 -5.394 773 HB3 ARG 93 HB3 ARG 93 -16.958 4.288 -3.701 774 HG2 ARG 93 HG2 ARG 93 -16.021 6.480 -3.468 775 HG3 ARG 93 HG3 ARG 93 -15.195 6.371 -5.022 776 HD2 ARG 93 HD2 ARG 93 -17.446 6.287 -6.144 777 HD3 ARG 93 HD3 ARG 93 -18.192 6.578 -4.565 778 HE ARG 93 HE ARG 93 -16.423 8.614 -4.773 779 HH11 ARG 93 HH11 ARG 93 -18.946 7.498 -6.952 780 HH12 ARG 93 HH12 ARG 93 -19.230 9.075 -7.611 781 HH21 ARG 93 HH21 ARG 93 -16.765 10.665 -5.699 782 HH22 ARG 93 HH22 ARG 93 -17.999 10.868 -6.906 783 H LYS 94 H LYS 94 -14.691 1.755 -5.457 784 HA LYS 94 HA LYS 94 -16.173 -0.070 -3.865 785 HB2 LYS 94 HB2 LYS 94 -14.170 -0.626 -6.092 786 HB3 LYS 94 HB3 LYS 94 -15.218 -1.844 -5.363 787 HG2 LYS 94 HG2 LYS 94 -17.205 -0.479 -6.106 788 HG3 LYS 94 HG3 LYS 94 -16.087 0.575 -6.979 789 HD2 LYS 94 HD2 LYS 94 -15.322 -1.372 -8.325 790 HD3 LYS 94 HD3 LYS 94 -16.454 -2.413 -7.458 791 HE2 LYS 94 HE2 LYS 94 -17.388 -1.798 -9.620 792 HE3 LYS 94 HE3 LYS 94 -18.339 -1.042 -8.339 793 HZ1 LYS 94 HZ1 LYS 94 -17.149 1.021 -8.729 794 HZ2 LYS 94 HZ2 LYS 94 -17.894 0.490 -10.143 795 HZ3 LYS 94 HZ3 LYS 94 -16.233 0.295 -9.947 796 H GLY 95 H GLY 95 -12.654 0.284 -4.390 797 HA2 GLY 95 HA2 GLY 95 -11.891 -1.581 -2.335 798 HA3 GLY 95 HA3 GLY 95 -10.841 -0.460 -3.182 799 H TYR 96 H TYR 96 -12.453 1.873 -2.482 800 HA TYR 96 HA TYR 96 -10.992 2.713 -0.242 801 HB2 TYR 96 HB2 TYR 96 -11.641 4.395 -1.828 802 HB3 TYR 96 HB3 TYR 96 -13.342 3.970 -1.702 803 HD1 TYR 96 HD2 TYR 96 -10.525 5.299 0.438 804 HD2 TYR 96 HD1 TYR 96 -14.729 5.344 -0.343 805 HE1 TYR 96 HE2 TYR 96 -10.820 7.048 2.129 806 HE2 TYR 96 HE1 TYR 96 -15.023 7.092 1.359 807 HH TYR 96 HH TYR 96 -12.429 8.821 2.706 808 H GLU 97 H GLU 97 -14.461 2.151 -0.641 809 HA GLU 97 HA GLU 97 -15.050 2.531 2.124 810 HB2 GLU 97 HB2 GLU 97 -16.774 1.392 -0.118 811 HB3 GLU 97 HB3 GLU 97 -17.353 1.882 1.478 812 HG2 GLU 97 HG2 GLU 97 -16.661 4.221 1.030 813 HG3 GLU 97 HG3 GLU 97 -16.047 3.735 -0.550 814 H ASP 98 H ASP 98 -14.482 -0.314 0.036 815 HA ASP 98 HA ASP 98 -15.465 -2.299 1.796 816 HB2 ASP 98 HB2 ASP 98 -14.947 -2.858 -0.547 817 HB3 ASP 98 HB3 ASP 98 -13.233 -2.536 -0.282 818 H LYS 99 H LYS 99 -12.123 -1.150 1.299 819 HA LYS 99 HA LYS 99 -11.014 -2.761 3.379 820 HB2 LYS 99 HB2 LYS 99 -9.913 -0.557 1.618 821 HB3 LYS 99 HB3 LYS 99 -8.971 -1.126 2.986 822 HG2 LYS 99 HG2 LYS 99 -8.202 -2.273 1.014 823 HG3 LYS 99 HG3 LYS 99 -9.040 -3.444 2.036 824 HD2 LYS 99 HD2 LYS 99 -11.070 -3.176 0.582 825 HD3 LYS 99 HD3 LYS 99 -10.142 -2.101 -0.464 826 HE2 LYS 99 HE2 LYS 99 -8.617 -3.919 -1.042 827 HE3 LYS 99 HE3 LYS 99 -9.425 -4.999 0.099 828 HZ1 LYS 99 HZ1 LYS 99 -10.624 -3.805 -2.344 829 HZ2 LYS 99 HZ2 LYS 99 -11.460 -4.766 -1.228 830 HZ3 LYS 99 HZ3 LYS 99 -10.188 -5.423 -2.129 831 H LYS 100 H LYS 100 -12.218 0.549 3.221 832 HA LYS 100 HA LYS 100 -11.244 1.494 5.707 833 HB2 LYS 100 HB2 LYS 100 -12.155 2.939 3.889 834 HB3 LYS 100 HB3 LYS 100 -13.769 2.328 4.225 835 HG2 LYS 100 HG2 LYS 100 -13.636 3.323 6.503 836 HG3 LYS 100 HG3 LYS 100 -12.042 3.973 6.103 837 HD2 LYS 100 HD2 LYS 100 -13.034 5.334 4.294 838 HD3 LYS 100 HD3 LYS 100 -14.621 4.643 4.627 839 HE2 LYS 100 HE2 LYS 100 -12.996 6.381 6.509 840 HE3 LYS 100 HE3 LYS 100 -14.435 6.872 5.615 841 HZ1 LYS 100 HZ1 LYS 100 -14.315 4.810 7.752 842 HZ2 LYS 100 HZ2 LYS 100 -15.698 5.207 6.872 843 HZ3 LYS 100 HZ3 LYS 100 -14.988 6.353 7.884 844 H LYS 101 H LYS 101 -14.225 -0.217 4.812 845 HA LYS 101 HA LYS 101 -15.417 -0.192 7.424 846 HB2 LYS 101 HB2 LYS 101 -15.997 -1.881 4.958 847 HB3 LYS 101 HB3 LYS 101 -16.966 -1.947 6.431 848 HG2 LYS 101 HG2 LYS 101 -17.674 0.339 6.175 849 HG3 LYS 101 HG3 LYS 101 -16.519 0.613 4.867 850 HD2 LYS 101 HD2 LYS 101 -17.793 -1.121 3.508 851 HD3 LYS 101 HD3 LYS 101 -19.020 -1.123 4.783 852 HE2 LYS 101 HE2 LYS 101 -19.431 1.278 4.401 853 HE3 LYS 101 HE3 LYS 101 -18.164 1.312 3.171 854 HZ1 LYS 101 HZ1 LYS 101 -20.663 -0.281 3.033 855 HZ2 LYS 101 HZ2 LYS 101 -19.455 -0.250 1.857 856 HZ3 LYS 101 HZ3 LYS 101 -20.352 1.145 2.183 857 H LYS 102 H LYS 102 -13.029 -2.210 5.904 858 HA LYS 102 HA LYS 102 -13.142 -4.343 7.880 859 HB2 LYS 102 HB2 LYS 102 -10.942 -3.659 5.890 860 HB3 LYS 102 HB3 LYS 102 -11.102 -5.170 6.783 861 HG2 LYS 102 HG2 LYS 102 -13.165 -5.706 5.546 862 HG3 LYS 102 HG3 LYS 102 -13.073 -4.160 4.706 863 HD2 LYS 102 HD2 LYS 102 -12.245 -5.819 3.184 864 HD3 LYS 102 HD3 LYS 102 -10.840 -4.908 3.742 865 HE2 LYS 102 HE2 LYS 102 -10.357 -7.314 3.695 866 HE3 LYS 102 HE3 LYS 102 -10.331 -6.723 5.361 867 HZ1 LYS 102 HZ1 LYS 102 -12.535 -8.206 4.034 868 HZ2 LYS 102 HZ2 LYS 102 -12.640 -7.529 5.574 869 HZ3 LYS 102 HZ3 LYS 102 -11.538 -8.768 5.278 870 H GLY 103 H GLY 103 -11.883 -1.167 7.779 871 HA2 GLY 103 HA2 GLY 103 -11.324 -0.092 9.837 872 HA3 GLY 103 HA3 GLY 103 -10.557 -1.571 10.393 873 H TYR 104 H TYR 104 -10.007 -0.353 7.143 874 HA TYR 104 HA TYR 104 -7.178 0.218 7.842 875 HB2 TYR 104 HB2 TYR 104 -8.238 -0.370 5.041 876 HB3 TYR 104 HB3 TYR 104 -6.564 -0.428 5.597 877 HD1 TYR 104 HD2 TYR 104 -7.054 -2.105 8.155 878 HD2 TYR 104 HD1 TYR 104 -8.429 -2.591 4.151 879 HE1 TYR 104 HE2 TYR 104 -7.329 -4.505 8.529 880 HE2 TYR 104 HE1 TYR 104 -8.714 -4.987 4.541 881 HH TYR 104 HH TYR 104 -8.613 -6.356 7.664 882 H ASP 105 H ASP 105 -6.274 2.191 7.229 883 HA ASP 105 HA ASP 105 -8.102 4.377 6.627 884 HB2 ASP 105 HB2 ASP 105 -5.066 4.441 6.917 885 HB3 ASP 105 HB3 ASP 105 -6.140 5.839 6.930 886 H VAL 106 H VAL 106 -8.761 4.456 4.538 887 HA VAL 106 HA VAL 106 -6.845 3.804 2.400 888 HB VAL 106 HB VAL 106 -9.870 4.061 2.083 889 HG11 VAL 106 HG11 VAL 106 -8.602 4.276 -0.014 890 HG12 VAL 106 HG12 VAL 106 -9.460 2.736 0.003 891 HG13 VAL 106 HG13 VAL 106 -7.730 2.779 0.326 892 HG21 VAL 106 HG21 VAL 106 -9.420 2.288 3.727 893 HG22 VAL 106 HG22 VAL 106 -8.262 1.535 2.631 894 HG23 VAL 106 HG23 VAL 106 -9.974 1.583 2.205 895 H TYR 107 H TYR 107 -6.042 5.371 1.159 896 HA TYR 107 HA TYR 107 -7.342 8.005 0.937 897 HB2 TYR 107 HB2 TYR 107 -4.521 7.075 0.218 898 HB3 TYR 107 HB3 TYR 107 -5.135 8.696 -0.102 899 HD1 TYR 107 HD1 TYR 107 -6.010 10.048 1.963 900 HD2 TYR 107 HD2 TYR 107 -3.435 6.651 2.311 901 HE1 TYR 107 HE1 TYR 107 -5.315 10.806 4.191 902 HE2 TYR 107 HE2 TYR 107 -2.736 7.412 4.547 903 HH TYR 107 HH TYR 107 -2.622 9.567 5.815 904 H THR 108 H THR 108 -8.075 8.709 -0.980 905 HA THR 108 HA THR 108 -7.957 6.993 -3.392 906 HB THR 108 HB THR 108 -9.950 8.471 -4.104 907 HG1 THR 108 HG1 THR 108 -10.011 10.183 -2.792 908 HG21 THR 108 HG21 THR 108 -10.337 6.180 -3.264 909 HG22 THR 108 HG22 THR 108 -11.615 7.270 -2.724 910 HG23 THR 108 HG23 THR 108 -10.343 6.778 -1.603 911 H SER 109 H SER 109 -7.212 7.921 -5.321 912 HA SER 109 HA SER 109 -6.116 10.681 -5.227 913 HB2 SER 109 HB2 SER 109 -4.141 9.835 -6.483 914 HB3 SER 109 HB3 SER 109 -4.287 9.043 -4.916 915 HG SER 109 HG SER 109 -4.725 7.210 -5.872 916 H ARG 110 H ARG 110 -5.492 11.341 -7.615 917 HA ARG 110 HA ARG 110 -7.582 10.396 -9.504 918 HB2 ARG 110 HB2 ARG 110 -5.973 12.993 -9.546 919 HB3 ARG 110 HB3 ARG 110 -7.140 12.510 -10.777 920 HG2 ARG 110 HG2 ARG 110 -7.764 13.062 -7.856 921 HG3 ARG 110 HG3 ARG 110 -8.122 14.133 -9.214 922 HD2 ARG 110 HD2 ARG 110 -9.716 12.541 -10.126 923 HD3 ARG 110 HD3 ARG 110 -9.262 11.319 -8.932 924 HE ARG 110 HE ARG 110 -10.784 13.795 -8.420 925 HH11 ARG 110 HH11 ARG 110 -9.721 10.630 -7.324 926 HH12 ARG 110 HH12 ARG 110 -10.777 10.632 -5.948 927 HH21 ARG 110 HH21 ARG 110 -12.114 13.803 -6.582 928 HH22 ARG 110 HH22 ARG 110 -12.134 12.424 -5.528 929 H ASN 111 H ASN 111 -4.148 10.779 -8.977 930 HA ASN 111 HA ASN 111 -3.528 8.616 -10.727 931 HB2 ASN 111 HB2 ASN 111 -2.379 9.678 -12.534 932 HB3 ASN 111 HB3 ASN 111 -3.852 10.622 -12.366 933 HD21 ASN 111 HD21 ASN 111 -3.662 12.720 -11.261 934 HD22 ASN 111 HD22 ASN 111 -2.168 13.584 -11.370 935 H GLU 112 H GLU 112 -0.805 9.192 -11.147 936 HA GLU 112 HA GLU 112 0.449 8.415 -8.826 937 HB2 GLU 112 HB2 GLU 112 1.478 7.998 -10.935 938 HB3 GLU 112 HB3 GLU 112 1.448 9.689 -11.398 939 HG2 GLU 112 HG2 GLU 112 3.150 8.833 -9.051 940 HG3 GLU 112 HG3 GLU 112 3.725 8.514 -10.686 941 H ASP 113 H ASP 113 -0.089 11.757 -9.986 942 HA ASP 113 HA ASP 113 1.621 13.203 -8.345 943 HB2 ASP 113 HB2 ASP 113 -1.165 13.917 -9.351 944 HB3 ASP 113 HB3 ASP 113 -0.168 15.068 -8.471 945 H GLU 114 H GLU 114 -1.742 12.277 -7.667 946 HA GLU 114 HA GLU 114 -1.747 13.321 -4.988 947 HB2 GLU 114 HB2 GLU 114 -3.705 11.556 -6.495 948 HB3 GLU 114 HB3 GLU 114 -3.974 12.065 -4.840 949 HG2 GLU 114 HG2 GLU 114 -5.241 13.485 -6.294 950 HG3 GLU 114 HG3 GLU 114 -3.927 14.430 -5.585 951 H ALA 115 H ALA 115 -1.326 10.161 -6.489 952 HA ALA 115 HA ALA 115 -1.410 8.476 -4.268 953 HB1 ALA 115 HB1 ALA 115 -0.093 6.899 -5.616 954 HB2 ALA 115 HB2 ALA 115 0.336 8.195 -6.740 955 HB3 ALA 115 HB3 ALA 115 -1.344 7.667 -6.594 956 H LYS 116 H LYS 116 1.197 10.469 -5.543 957 HA LYS 116 HA LYS 116 3.338 9.339 -4.035 958 HB2 LYS 116 HB2 LYS 116 3.721 10.404 -6.200 959 HB3 LYS 116 HB3 LYS 116 3.107 11.942 -5.602 960 HG2 LYS 116 HG2 LYS 116 5.017 12.215 -4.133 961 HG3 LYS 116 HG3 LYS 116 5.604 10.591 -4.498 962 HD2 LYS 116 HD2 LYS 116 5.333 12.818 -6.561 963 HD3 LYS 116 HD3 LYS 116 6.832 12.443 -5.708 964 HE2 LYS 116 HE2 LYS 116 6.967 10.268 -6.738 965 HE3 LYS 116 HE3 LYS 116 5.336 10.402 -7.388 966 HZ1 LYS 116 HZ1 LYS 116 6.053 12.100 -8.875 967 HZ2 LYS 116 HZ2 LYS 116 7.102 10.786 -9.034 968 HZ3 LYS 116 HZ3 LYS 116 7.593 12.155 -8.180 969 H LYS 117 H LYS 117 1.426 12.385 -3.705 970 HA LYS 117 HA LYS 117 2.833 13.184 -1.319 971 HB2 LYS 117 HB2 LYS 117 1.042 14.956 -1.103 972 HB3 LYS 117 HB3 LYS 117 1.989 14.991 -2.579 973 HG2 LYS 117 HG2 LYS 117 0.124 14.020 -3.845 974 HG3 LYS 117 HG3 LYS 117 -0.834 13.886 -2.364 975 HD2 LYS 117 HD2 LYS 117 -0.917 16.310 -2.119 976 HD3 LYS 117 HD3 LYS 117 0.222 16.537 -3.448 977 HE2 LYS 117 HE2 LYS 117 -2.525 15.286 -3.800 978 HE3 LYS 117 HE3 LYS 117 -2.201 17.007 -4.010 979 HZ1 LYS 117 HZ1 LYS 117 -2.175 15.708 -6.103 980 HZ2 LYS 117 HZ2 LYS 117 -0.817 14.877 -5.537 981 HZ3 LYS 117 HZ3 LYS 117 -0.736 16.540 -5.804 982 H LYS 118 H LYS 118 -0.126 11.372 -1.936 983 HA LYS 118 HA LYS 118 -0.973 11.223 0.809 984 HB2 LYS 118 HB2 LYS 118 -1.707 9.499 -1.604 985 HB3 LYS 118 HB3 LYS 118 -2.421 9.282 -0.007 986 HG2 LYS 118 HG2 LYS 118 -2.628 11.779 -1.725 987 HG3 LYS 118 HG3 LYS 118 -3.905 10.583 -1.465 988 HD2 LYS 118 HD2 LYS 118 -4.018 11.151 0.907 989 HD3 LYS 118 HD3 LYS 118 -2.627 12.225 0.756 990 HE2 LYS 118 HE2 LYS 118 -3.956 13.677 -0.766 991 HE3 LYS 118 HE3 LYS 118 -5.358 12.634 -0.498 992 HZ1 LYS 118 HZ1 LYS 118 -3.886 14.111 1.620 993 HZ2 LYS 118 HZ2 LYS 118 -5.260 13.154 1.849 994 HZ3 LYS 118 HZ3 LYS 118 -5.364 14.580 0.947 995 H LEU 119 H LEU 119 1.247 9.430 -1.197 996 HA LEU 119 HA LEU 119 1.628 7.171 0.493 997 HB2 LEU 119 HB2 LEU 119 2.245 7.255 -1.923 998 HB3 LEU 119 HB3 LEU 119 3.515 8.404 -1.553 999 HG LEU 119 HG LEU 119 4.806 6.716 -0.372 1000 HD11 LEU 119 HD11 LEU 119 2.476 4.809 -0.776 1001 HD12 LEU 119 HD12 LEU 119 3.011 5.502 0.758 1002 HD13 LEU 119 HD13 LEU 119 4.058 4.387 -0.113 1003 HD21 LEU 119 HD21 LEU 119 5.224 5.100 -2.212 1004 HD22 LEU 119 HD22 LEU 119 5.084 6.754 -2.797 1005 HD23 LEU 119 HD23 LEU 119 3.739 5.630 -3.007 1006 H LYS 120 H LYS 120 3.231 10.312 0.146 1007 HA LYS 120 HA LYS 120 5.166 9.999 2.186 1008 HB2 LYS 120 HB2 LYS 120 3.876 12.500 1.028 1009 HB3 LYS 120 HB3 LYS 120 5.186 12.540 2.211 1010 HG2 LYS 120 HG2 LYS 120 6.605 11.235 0.653 1011 HG3 LYS 120 HG3 LYS 120 5.318 11.328 -0.563 1012 HD2 LYS 120 HD2 LYS 120 5.484 13.797 -0.569 1013 HD3 LYS 120 HD3 LYS 120 6.728 13.729 0.687 1014 HE2 LYS 120 HE2 LYS 120 6.943 12.695 -2.154 1015 HE3 LYS 120 HE3 LYS 120 7.807 14.065 -1.447 1016 HZ1 LYS 120 HZ1 LYS 120 8.817 12.428 0.130 1017 HZ2 LYS 120 HZ2 LYS 120 9.274 12.240 -1.483 1018 HZ3 LYS 120 HZ3 LYS 120 8.138 11.190 -0.806 1019 H GLU 121 H GLU 121 1.869 11.344 2.228 1020 HA GLU 121 HA GLU 121 1.765 12.019 4.971 1021 HB2 GLU 121 HB2 GLU 121 -0.480 11.344 3.022 1022 HB3 GLU 121 HB3 GLU 121 -0.757 11.912 4.668 1023 HG2 GLU 121 HG2 GLU 121 0.561 13.993 4.101 1024 HG3 GLU 121 HG3 GLU 121 0.617 13.430 2.432 1025 H ALA 122 H ALA 122 1.239 8.993 3.270 1026 HA ALA 122 HA ALA 122 0.192 7.467 5.446 1027 HB1 ALA 122 HB1 ALA 122 -0.058 6.757 3.104 1028 HB2 ALA 122 HB2 ALA 122 0.745 5.506 4.057 1029 HB3 ALA 122 HB3 ALA 122 1.685 6.530 2.966 1030 H LEU 123 H LEU 123 3.444 8.168 4.244 1031 HA LEU 123 HA LEU 123 4.860 6.413 6.016 1032 HB2 LEU 123 HB2 LEU 123 5.754 8.720 4.225 1033 HB3 LEU 123 HB3 LEU 123 6.887 7.770 5.188 1034 HG LEU 123 HG LEU 123 5.054 6.597 3.048 1035 HD11 LEU 123 HD11 LEU 123 6.999 6.387 1.598 1036 HD12 LEU 123 HD12 LEU 123 8.016 7.188 2.800 1037 HD13 LEU 123 HD13 LEU 123 6.711 8.078 2.014 1038 HD21 LEU 123 HD21 LEU 123 7.336 5.301 4.581 1039 HD22 LEU 123 HD22 LEU 123 6.438 4.564 3.252 1040 HD23 LEU 123 HD23 LEU 123 5.612 4.952 4.757 1041 H GLU 124 H GLU 124 3.842 9.759 6.135 1042 HA GLU 124 HA GLU 124 5.178 10.408 8.608 1043 HB2 GLU 124 HB2 GLU 124 3.031 11.854 7.021 1044 HB3 GLU 124 HB3 GLU 124 3.796 12.502 8.470 1045 HG2 GLU 124 HG2 GLU 124 5.976 12.555 7.376 1046 HG3 GLU 124 HG3 GLU 124 5.327 11.746 5.958 1047 H LYS 125 H LYS 125 2.062 9.104 7.687 1048 HA LYS 125 HA LYS 125 0.773 9.402 10.256 1049 HB2 LYS 125 HB2 LYS 125 -0.402 9.256 7.988 1050 HB3 LYS 125 HB3 LYS 125 0.001 7.544 7.956 1051 HG2 LYS 125 HG2 LYS 125 -1.344 7.220 10.025 1052 HG3 LYS 125 HG3 LYS 125 -1.753 8.939 10.005 1053 HD2 LYS 125 HD2 LYS 125 -2.769 8.577 7.700 1054 HD3 LYS 125 HD3 LYS 125 -2.524 6.845 7.932 1055 HE2 LYS 125 HE2 LYS 125 -4.241 8.643 9.673 1056 HE3 LYS 125 HE3 LYS 125 -4.838 7.520 8.454 1057 HZ1 LYS 125 HZ1 LYS 125 -3.318 6.755 10.886 1058 HZ2 LYS 125 HZ2 LYS 125 -3.955 5.690 9.738 1059 HZ3 LYS 125 HZ3 LYS 125 -4.989 6.623 10.692 1060 H SER 126 H SER 126 2.812 7.087 8.642 1061 HA SER 126 HA SER 126 2.462 4.976 10.636 1062 HB2 SER 126 HB2 SER 126 4.008 3.699 9.216 1063 HB3 SER 126 HB3 SER 126 2.713 4.381 8.239 1064 HG SER 126 HG SER 126 4.152 5.372 7.128 1065 H GLY 127 H GLY 127 4.671 3.960 11.347 1066 HA2 GLY 127 HA2 GLY 127 6.206 5.944 12.803 1067 HA3 GLY 127 HA3 GLY 127 6.392 4.197 12.875 1068 H SER 128 H SER 128 6.737 6.736 10.366 1069 HA SER 128 HA SER 128 9.529 5.853 9.858 1070 HB2 SER 128 HB2 SER 128 7.744 7.170 7.753 1071 HB3 SER 128 HB3 SER 128 9.283 6.338 7.514 1072 HG SER 128 HG SER 128 6.753 5.264 8.100 1073 H LEU 129 H LEU 129 7.372 8.569 9.056 1074 HA LEU 129 HA LEU 129 9.302 10.519 10.165 1075 HB2 LEU 129 HB2 LEU 129 7.356 10.777 7.847 1076 HB3 LEU 129 HB3 LEU 129 8.074 12.171 8.637 1077 HG LEU 129 HG LEU 129 10.368 11.178 8.035 1078 HD11 LEU 129 HD11 LEU 129 8.759 9.436 6.156 1079 HD12 LEU 129 HD12 LEU 129 9.722 8.891 7.530 1080 HD13 LEU 129 HD13 LEU 129 10.515 9.638 6.149 1081 HD21 LEU 129 HD21 LEU 129 9.461 13.124 6.926 1082 HD22 LEU 129 HD22 LEU 129 8.560 12.108 5.798 1083 HD23 LEU 129 HD23 LEU 129 10.327 12.112 5.770 1084 H GLU 130 H GLU 130 8.566 11.830 11.766 1085 HA GLU 130 HA GLU 130 5.781 11.768 12.660 1086 HB2 GLU 130 HB2 GLU 130 8.160 13.447 13.590 1087 HB3 GLU 130 HB3 GLU 130 6.606 13.338 14.414 1088 HG2 GLU 130 HG2 GLU 130 7.007 11.041 15.032 1089 HG3 GLU 130 HG3 GLU 130 8.424 10.945 13.989 1090 H HIS 131 H HIS 131 4.329 13.034 11.500 1091 HA HIS 131 HA HIS 131 5.154 14.862 9.518 1092 HB2 HIS 131 HB2 HIS 131 2.837 15.299 9.062 1093 HB3 HIS 131 HB3 HIS 131 2.961 13.610 9.496 1094 HD2 HIS 131 HD2 HIS 131 1.561 12.850 11.794 1095 HE1 HIS 131 HE1 HIS 131 -0.230 16.628 12.400 1096 HE2 HIS 131 HE2 HIS 131 -0.200 14.202 13.124 1097 H HIS 132 H HIS 132 3.898 15.381 12.787 1098 HA HIS 132 HA HIS 132 3.910 17.076 14.243 1099 HB2 HIS 132 HB2 HIS 132 6.281 16.436 14.299 1100 HB3 HIS 132 HB3 HIS 132 6.642 17.549 12.991 1101 HD2 HIS 132 HD2 HIS 132 5.176 17.941 16.671 1102 HE1 HIS 132 HE1 HIS 132 7.694 21.210 15.741 1103 HE2 HIS 132 HE2 HIS 132 6.453 20.000 17.585 1104 H HIS 133 H HIS 133 2.153 18.191 13.355 1105 HA HIS 133 HA HIS 133 0.978 20.030 12.768 1106 HB2 HIS 133 HB2 HIS 133 3.599 21.583 13.003 1107 HB3 HIS 133 HB3 HIS 133 1.969 22.244 13.100 1108 HD1 HIS 133 HD1 HIS 133 4.379 22.254 15.299 1109 HD2 HIS 133 HD2 HIS 133 0.839 20.080 15.403 1110 HE1 HIS 133 HE1 HIS 133 4.000 21.702 17.711 1111 HE2 HIS 133 HE2 HIS 133 1.752 20.590 17.762 1112 H HIS 134 H HIS 134 1.898 18.387 10.684 1113 HA HIS 134 HA HIS 134 3.260 19.744 8.598 1114 HB2 HIS 134 HB2 HIS 134 3.071 17.213 8.926 1115 HB3 HIS 134 HB3 HIS 134 1.441 17.317 8.273 1116 HD1 HIS 134 HD1 HIS 134 1.553 16.407 5.959 1117 HD2 HIS 134 HD2 HIS 134 4.861 18.754 6.833 1118 HE1 HIS 134 HE1 HIS 134 2.935 16.425 3.874 1119 HE2 HIS 134 HE2 HIS 134 5.039 17.623 4.521 1120 H HIS 135 H HIS 135 -0.135 18.608 8.655 1121 HA HIS 135 HA HIS 135 -2.115 19.500 8.149 1122 HB2 HIS 135 HB2 HIS 135 -1.461 21.369 9.619 1123 HB3 HIS 135 HB3 HIS 135 -0.671 22.180 8.274 1124 HD1 HIS 135 HD1 HIS 135 -2.056 23.837 7.064 1125 HD2 HIS 135 HD2 HIS 135 -4.395 21.133 9.169 1126 HE1 HIS 135 HE1 HIS 135 -4.413 24.623 6.779 1127 HE2 HIS 135 HE2 HIS 135 -5.813 22.879 7.911 1128 H HIS 136 H HIS 136 -3.257 19.488 6.312 1129 HA HIS 136 HA HIS 136 -2.350 21.040 3.971 1130 HB2 HIS 136 HB2 HIS 136 -3.421 18.189 3.974 1131 HB3 HIS 136 HB3 HIS 136 -3.479 19.201 2.538 1132 HD1 HIS 136 HD1 HIS 136 -1.514 16.593 3.759 1133 HD2 HIS 136 HD2 HIS 136 -0.611 20.311 2.142 1134 HE1 HIS 136 HE1 HIS 136 0.856 16.423 2.946 1135 HE2 HIS 136 HE2 HIS 136 1.343 18.653 1.902 Start of MODEL 8 1 H1 MET 1 H1 MET 1 2.932 -3.682 15.929 2 H2 MET 1 H2 MET 1 1.952 -2.440 15.339 3 H3 MET 1 H3 MET 1 2.193 -2.609 17.002 4 HA MET 1 HA MET 1 3.483 -0.786 16.108 5 HB2 MET 1 HB2 MET 1 5.142 -3.174 17.043 6 HB3 MET 1 HB3 MET 1 5.721 -1.509 17.021 7 HG2 MET 1 HG2 MET 1 3.938 -0.897 18.641 8 HG3 MET 1 HG3 MET 1 3.427 -2.587 18.681 9 HE1 MET 1 HE1 MET 1 3.691 -2.614 21.368 10 HE2 MET 1 HE2 MET 1 4.187 -0.922 21.320 11 HE3 MET 1 HE3 MET 1 5.163 -2.101 22.197 12 H GLY 2 H GLY 2 3.595 -0.261 14.011 13 HA2 GLY 2 HA2 GLY 2 5.358 -0.339 12.142 14 HA3 GLY 2 HA3 GLY 2 4.878 -2.032 12.020 15 H VAL 3 H VAL 3 4.553 -0.489 9.782 16 HA VAL 3 HA VAL 3 1.609 -0.186 9.543 17 HB VAL 3 HB VAL 3 3.645 1.895 8.592 18 HG11 VAL 3 HG11 VAL 3 1.898 1.634 6.877 19 HG12 VAL 3 HG12 VAL 3 1.730 3.192 7.690 20 HG13 VAL 3 HG13 VAL 3 0.643 1.860 8.097 21 HG21 VAL 3 HG21 VAL 3 3.100 2.122 10.979 22 HG22 VAL 3 HG22 VAL 3 1.379 2.166 10.599 23 HG23 VAL 3 HG23 VAL 3 2.435 3.475 10.063 24 H VAL 4 H VAL 4 0.850 -1.143 7.720 25 HA VAL 4 HA VAL 4 2.732 -1.857 5.539 26 HB VAL 4 HB VAL 4 0.089 -3.211 6.256 27 HG11 VAL 4 HG11 VAL 4 2.212 -4.001 4.221 28 HG12 VAL 4 HG12 VAL 4 0.605 -3.372 3.852 29 HG13 VAL 4 HG13 VAL 4 0.772 -4.947 4.625 30 HG21 VAL 4 HG21 VAL 4 1.787 -3.667 7.981 31 HG22 VAL 4 HG22 VAL 4 2.930 -4.188 6.742 32 HG23 VAL 4 HG23 VAL 4 1.462 -5.121 7.035 33 H ILE 5 H ILE 5 2.503 -0.491 3.895 34 HA ILE 5 HA ILE 5 -0.062 0.811 3.317 35 HB ILE 5 HB ILE 5 2.629 1.430 2.013 36 HG12 ILE 5 HG12 ILE 5 2.453 3.591 3.537 37 HG13 ILE 5 HG13 ILE 5 1.432 2.591 4.561 38 HG21 ILE 5 HG21 ILE 5 1.512 3.560 1.366 39 HG22 ILE 5 HG22 ILE 5 0.017 2.976 2.099 40 HG23 ILE 5 HG23 ILE 5 0.698 2.141 0.701 41 HD11 ILE 5 HD11 ILE 5 3.717 2.675 5.361 42 HD12 ILE 5 HD12 ILE 5 4.307 2.040 3.826 43 HD13 ILE 5 HD13 ILE 5 3.301 1.033 4.871 44 H LEU 6 H LEU 6 -1.275 -0.475 2.011 45 HA LEU 6 HA LEU 6 -0.098 -2.056 -0.170 46 HB2 LEU 6 HB2 LEU 6 -2.943 -1.945 0.869 47 HB3 LEU 6 HB3 LEU 6 -2.312 -3.116 -0.280 48 HG LEU 6 HG LEU 6 -1.407 -2.846 2.614 49 HD11 LEU 6 HD11 LEU 6 -3.687 -3.630 2.504 50 HD12 LEU 6 HD12 LEU 6 -2.595 -4.909 3.027 51 HD13 LEU 6 HD13 LEU 6 -3.220 -4.907 1.373 52 HD21 LEU 6 HD21 LEU 6 0.352 -3.715 1.165 53 HD22 LEU 6 HD22 LEU 6 -0.737 -4.956 0.541 54 HD23 LEU 6 HD23 LEU 6 -0.251 -4.968 2.240 55 H VAL 7 H VAL 7 0.219 -0.773 -1.909 56 HA VAL 7 HA VAL 7 -1.703 1.325 -2.598 57 HB VAL 7 HB VAL 7 1.018 0.753 -3.861 58 HG11 VAL 7 HG11 VAL 7 -0.753 3.221 -3.968 59 HG12 VAL 7 HG12 VAL 7 -0.514 2.066 -5.279 60 HG13 VAL 7 HG13 VAL 7 0.833 3.053 -4.719 61 HG21 VAL 7 HG21 VAL 7 0.352 2.753 -1.657 62 HG22 VAL 7 HG22 VAL 7 1.909 2.609 -2.478 63 HG23 VAL 7 HG23 VAL 7 1.321 1.288 -1.462 64 H LEU 8 H LEU 8 -3.383 0.515 -3.737 65 HA LEU 8 HA LEU 8 -3.107 -1.642 -5.691 66 HB2 LEU 8 HB2 LEU 8 -5.496 -0.099 -4.607 67 HB3 LEU 8 HB3 LEU 8 -5.654 -1.174 -5.983 68 HG LEU 8 HG LEU 8 -4.996 -3.106 -4.568 69 HD11 LEU 8 HD11 LEU 8 -4.944 -1.140 -2.269 70 HD12 LEU 8 HD12 LEU 8 -3.566 -2.024 -2.926 71 HD13 LEU 8 HD13 LEU 8 -4.866 -2.898 -2.120 72 HD21 LEU 8 HD21 LEU 8 -7.068 -3.235 -3.242 73 HD22 LEU 8 HD22 LEU 8 -7.368 -2.575 -4.848 74 HD23 LEU 8 HD23 LEU 8 -7.315 -1.497 -3.449 75 H THR 9 H THR 9 -2.212 -0.960 -7.547 76 HA THR 9 HA THR 9 -2.866 1.696 -8.665 77 HB THR 9 HB THR 9 -0.717 1.380 -9.969 78 HG1 THR 9 HG1 THR 9 -0.444 -0.904 -8.274 79 HG21 THR 9 HG21 THR 9 -0.684 2.683 -7.860 80 HG22 THR 9 HG22 THR 9 0.832 1.815 -8.117 81 HG23 THR 9 HG23 THR 9 -0.349 1.199 -6.959 82 H GLY 10 H GLY 10 -3.851 1.786 -10.631 83 HA2 GLY 10 HA2 GLY 10 -4.703 -0.507 -12.099 84 HA3 GLY 10 HA3 GLY 10 -4.722 1.156 -12.668 85 H ASP 11 H ASP 11 -1.784 1.322 -12.060 86 HA ASP 11 HA ASP 11 -0.668 -0.124 -14.384 87 HB2 ASP 11 HB2 ASP 11 -0.155 2.804 -13.662 88 HB3 ASP 11 HB3 ASP 11 0.576 1.927 -15.007 89 H GLU 12 H GLU 12 1.115 -1.247 -13.816 90 HA GLU 12 HA GLU 12 2.450 -1.074 -11.327 91 HB2 GLU 12 HB2 GLU 12 3.285 -2.348 -13.958 92 HB3 GLU 12 HB3 GLU 12 4.233 -2.504 -12.479 93 HG2 GLU 12 HG2 GLU 12 2.394 -3.625 -11.354 94 HG3 GLU 12 HG3 GLU 12 1.339 -3.386 -12.749 95 H ARG 13 H ARG 13 2.882 0.671 -14.319 96 HA ARG 13 HA ARG 13 5.405 1.817 -13.953 97 HB2 ARG 13 HB2 ARG 13 4.128 2.086 -16.037 98 HB3 ARG 13 HB3 ARG 13 2.892 3.017 -15.197 99 HG2 ARG 13 HG2 ARG 13 4.359 4.494 -16.495 100 HG3 ARG 13 HG3 ARG 13 4.515 4.826 -14.769 101 HD2 ARG 13 HD2 ARG 13 6.596 3.395 -14.756 102 HD3 ARG 13 HD3 ARG 13 6.453 3.269 -16.515 103 HE ARG 13 HE ARG 13 6.448 5.990 -15.659 104 HH11 ARG 13 HH11 ARG 13 8.639 3.284 -16.220 105 HH12 ARG 13 HH12 ARG 13 10.006 4.302 -16.506 106 HH21 ARG 13 HH21 ARG 13 8.274 7.306 -16.026 107 HH22 ARG 13 HH22 ARG 13 9.799 6.576 -16.397 108 H ILE 14 H ILE 14 2.197 2.887 -12.707 109 HA ILE 14 HA ILE 14 3.050 5.151 -11.244 110 HB ILE 14 HB ILE 14 0.718 3.261 -10.671 111 HG12 ILE 14 HG12 ILE 14 0.704 5.990 -12.049 112 HG13 ILE 14 HG13 ILE 14 0.597 4.441 -12.880 113 HG21 ILE 14 HG21 ILE 14 1.300 4.484 -8.625 114 HG22 ILE 14 HG22 ILE 14 -0.234 5.066 -9.264 115 HG23 ILE 14 HG23 ILE 14 1.234 6.016 -9.496 116 HD11 ILE 14 HD11 ILE 14 -1.435 5.556 -10.944 117 HD12 ILE 14 HD12 ILE 14 -1.539 3.990 -11.752 118 HD13 ILE 14 HD13 ILE 14 -1.579 5.476 -12.697 119 H ALA 15 H ALA 15 2.686 1.733 -10.339 120 HA ALA 15 HA ALA 15 3.378 1.836 -7.637 121 HB1 ALA 15 HB1 ALA 15 2.321 -0.113 -8.700 122 HB2 ALA 15 HB2 ALA 15 3.795 -0.585 -7.855 123 HB3 ALA 15 HB3 ALA 15 3.800 -0.435 -9.613 124 H GLU 16 H GLU 16 5.444 1.520 -10.519 125 HA GLU 16 HA GLU 16 7.933 1.162 -9.172 126 HB2 GLU 16 HB2 GLU 16 7.553 0.563 -11.564 127 HB3 GLU 16 HB3 GLU 16 7.416 2.270 -11.961 128 HG2 GLU 16 HG2 GLU 16 9.635 1.873 -12.551 129 HG3 GLU 16 HG3 GLU 16 9.825 2.451 -10.898 130 H GLU 17 H GLU 17 6.232 4.039 -10.410 131 HA GLU 17 HA GLU 17 8.345 5.888 -9.918 132 HB2 GLU 17 HB2 GLU 17 5.372 6.367 -10.343 133 HB3 GLU 17 HB3 GLU 17 6.573 7.651 -10.260 134 HG2 GLU 17 HG2 GLU 17 6.398 5.474 -12.366 135 HG3 GLU 17 HG3 GLU 17 5.978 7.169 -12.575 136 H LEU 18 H LEU 18 5.656 4.709 -8.005 137 HA LEU 18 HA LEU 18 6.045 6.455 -5.762 138 HB2 LEU 18 HB2 LEU 18 4.593 3.812 -6.132 139 HB3 LEU 18 HB3 LEU 18 4.596 4.685 -4.607 140 HG LEU 18 HG LEU 18 3.489 5.771 -7.225 141 HD11 LEU 18 HD11 LEU 18 2.126 3.934 -6.388 142 HD12 LEU 18 HD12 LEU 18 1.282 5.475 -6.250 143 HD13 LEU 18 HD13 LEU 18 1.994 4.728 -4.814 144 HD21 LEU 18 HD21 LEU 18 2.560 7.584 -5.851 145 HD22 LEU 18 HD22 LEU 18 4.320 7.563 -5.794 146 HD23 LEU 18 HD23 LEU 18 3.387 6.942 -4.427 147 H ARG 19 H ARG 19 7.281 3.304 -6.769 148 HA ARG 19 HA ARG 19 8.517 2.460 -4.374 149 HB2 ARG 19 HB2 ARG 19 8.018 1.025 -6.373 150 HB3 ARG 19 HB3 ARG 19 9.307 1.819 -7.259 151 HG2 ARG 19 HG2 ARG 19 9.890 0.377 -4.669 152 HG3 ARG 19 HG3 ARG 19 9.712 -0.534 -6.164 153 HD2 ARG 19 HD2 ARG 19 11.703 1.732 -5.814 154 HD3 ARG 19 HD3 ARG 19 12.091 0.032 -5.519 155 HE ARG 19 HE ARG 19 10.952 0.392 -8.087 156 HH11 ARG 19 HH11 ARG 19 13.961 0.896 -6.342 157 HH12 ARG 19 HH12 ARG 19 14.938 0.773 -7.764 158 HH21 ARG 19 HH21 ARG 19 12.261 0.157 -9.922 159 HH22 ARG 19 HH22 ARG 19 13.980 0.353 -9.796 160 H LYS 20 H LYS 20 9.699 4.374 -7.111 161 HA LYS 20 HA LYS 20 12.392 4.602 -6.229 162 HB2 LYS 20 HB2 LYS 20 12.766 5.930 -8.125 163 HB3 LYS 20 HB3 LYS 20 11.410 4.930 -8.622 164 HG2 LYS 20 HG2 LYS 20 9.961 6.985 -7.819 165 HG3 LYS 20 HG3 LYS 20 11.471 7.881 -7.983 166 HD2 LYS 20 HD2 LYS 20 9.993 6.356 -10.159 167 HD3 LYS 20 HD3 LYS 20 10.121 8.104 -10.005 168 HE2 LYS 20 HE2 LYS 20 12.523 7.986 -10.503 169 HE3 LYS 20 HE3 LYS 20 12.436 6.222 -10.581 170 HZ1 LYS 20 HZ1 LYS 20 11.007 8.116 -12.370 171 HZ2 LYS 20 HZ2 LYS 20 10.859 6.435 -12.422 172 HZ3 LYS 20 HZ3 LYS 20 12.340 7.162 -12.787 173 H GLU 21 H GLU 21 9.456 6.380 -5.602 174 HA GLU 21 HA GLU 21 10.639 8.765 -4.563 175 HB2 GLU 21 HB2 GLU 21 8.393 8.684 -5.634 176 HB3 GLU 21 HB3 GLU 21 7.798 7.711 -4.290 177 HG2 GLU 21 HG2 GLU 21 7.145 10.079 -4.099 178 HG3 GLU 21 HG3 GLU 21 8.145 9.556 -2.742 179 H VAL 22 H VAL 22 9.319 5.792 -3.083 180 HA VAL 22 HA VAL 22 9.433 6.548 -0.375 181 HB VAL 22 HB VAL 22 9.857 3.772 -1.585 182 HG11 VAL 22 HG11 VAL 22 9.269 4.503 1.318 183 HG12 VAL 22 HG12 VAL 22 10.769 3.805 0.707 184 HG13 VAL 22 HG13 VAL 22 9.280 2.863 0.660 185 HG21 VAL 22 HG21 VAL 22 7.362 5.040 -0.395 186 HG22 VAL 22 HG22 VAL 22 7.492 3.383 -0.992 187 HG23 VAL 22 HG23 VAL 22 7.656 4.737 -2.107 188 H GLN 23 H GLN 23 11.906 5.295 -2.560 189 HA GLN 23 HA GLN 23 13.987 4.868 -0.700 190 HB2 GLN 23 HB2 GLN 23 14.155 5.513 -3.673 191 HB3 GLN 23 HB3 GLN 23 15.488 4.896 -2.697 192 HG2 GLN 23 HG2 GLN 23 14.211 2.817 -2.285 193 HG3 GLN 23 HG3 GLN 23 12.889 3.431 -3.277 194 HE21 GLN 23 HE21 GLN 23 13.204 3.584 -5.537 195 HE22 GLN 23 HE22 GLN 23 14.483 2.766 -6.354 196 H LYS 24 H LYS 24 12.854 7.761 -2.369 197 HA LYS 24 HA LYS 24 15.106 9.446 -1.785 198 HB2 LYS 24 HB2 LYS 24 12.255 10.395 -2.320 199 HB3 LYS 24 HB3 LYS 24 13.745 11.307 -2.554 200 HG2 LYS 24 HG2 LYS 24 12.752 8.953 -4.190 201 HG3 LYS 24 HG3 LYS 24 12.831 10.640 -4.697 202 HD2 LYS 24 HD2 LYS 24 15.323 10.542 -4.576 203 HD3 LYS 24 HD3 LYS 24 15.222 8.845 -4.090 204 HE2 LYS 24 HE2 LYS 24 14.041 8.364 -6.266 205 HE3 LYS 24 HE3 LYS 24 14.349 10.034 -6.750 206 HZ1 LYS 24 HZ1 LYS 24 16.007 8.567 -7.662 207 HZ2 LYS 24 HZ2 LYS 24 16.395 7.977 -6.128 208 HZ3 LYS 24 HZ3 LYS 24 16.733 9.582 -6.517 209 H HIS 25 H HIS 25 11.943 8.859 -0.281 210 HA HIS 25 HA HIS 25 12.136 10.848 1.757 211 HB2 HIS 25 HB2 HIS 25 9.991 9.818 0.859 212 HB3 HIS 25 HB3 HIS 25 10.380 8.355 1.748 213 HD2 HIS 25 HD2 HIS 25 10.167 8.610 4.603 214 HE1 HIS 25 HE1 HIS 25 7.902 12.173 4.356 215 HE2 HIS 25 HE2 HIS 25 8.462 10.163 5.778 216 H ASP 26 H ASP 26 12.431 7.292 1.881 217 HA ASP 26 HA ASP 26 14.399 7.399 4.004 218 HB2 ASP 26 HB2 ASP 26 12.111 7.429 5.126 219 HB3 ASP 26 HB3 ASP 26 11.789 5.857 4.409 220 HA PRO 27 HA PRO 27 15.591 4.134 1.082 221 HB2 PRO 27 HB2 PRO 27 18.115 3.660 2.007 222 HB3 PRO 27 HB3 PRO 27 17.699 5.184 1.191 223 HG2 PRO 27 HG2 PRO 27 17.884 4.632 4.150 224 HG3 PRO 27 HG3 PRO 27 18.571 5.985 3.217 225 HD2 PRO 27 HD2 PRO 27 16.228 6.228 4.597 226 HD3 PRO 27 HD3 PRO 27 16.534 7.115 3.086 227 H ASN 28 H ASN 28 15.153 3.699 4.473 228 HA ASN 28 HA ASN 28 15.971 0.880 4.528 229 HB2 ASN 28 HB2 ASN 28 14.977 2.733 6.736 230 HB3 ASN 28 HB3 ASN 28 15.458 1.060 6.995 231 HD21 ASN 28 HD21 ASN 28 17.759 1.151 5.169 232 HD22 ASN 28 HD22 ASN 28 18.952 2.109 5.969 233 H VAL 29 H VAL 29 13.043 2.792 4.319 234 HA VAL 29 HA VAL 29 11.170 0.780 5.082 235 HB VAL 29 HB VAL 29 10.763 3.089 3.124 236 HG11 VAL 29 HG11 VAL 29 8.681 1.407 4.589 237 HG12 VAL 29 HG12 VAL 29 9.020 1.349 2.857 238 HG13 VAL 29 HG13 VAL 29 8.343 2.811 3.572 239 HG21 VAL 29 HG21 VAL 29 11.462 3.881 5.349 240 HG22 VAL 29 HG22 VAL 29 10.163 2.953 6.104 241 HG23 VAL 29 HG23 VAL 29 9.778 4.305 5.033 242 H LYS 30 H LYS 30 10.773 -1.086 4.074 243 HA LYS 30 HA LYS 30 11.984 -1.712 1.537 244 HB2 LYS 30 HB2 LYS 30 10.458 -3.318 3.600 245 HB3 LYS 30 HB3 LYS 30 10.801 -4.014 2.021 246 HG2 LYS 30 HG2 LYS 30 12.868 -3.026 4.025 247 HG3 LYS 30 HG3 LYS 30 12.476 -4.713 3.662 248 HD2 LYS 30 HD2 LYS 30 13.706 -2.697 1.724 249 HD3 LYS 30 HD3 LYS 30 14.547 -4.032 2.508 250 HE2 LYS 30 HE2 LYS 30 13.144 -5.654 1.281 251 HE3 LYS 30 HE3 LYS 30 12.257 -4.327 0.527 252 HZ1 LYS 30 HZ1 LYS 30 14.319 -3.619 -0.523 253 HZ2 LYS 30 HZ2 LYS 30 13.917 -5.200 -0.955 254 HZ3 LYS 30 HZ3 LYS 30 15.142 -4.918 0.174 255 H THR 31 H THR 31 11.095 -1.701 -0.373 256 HA THR 31 HA THR 31 8.169 -1.455 -0.716 257 HB THR 31 HB THR 31 8.817 -0.682 -3.076 258 HG1 THR 31 HG1 THR 31 11.370 -0.127 -1.968 259 HG21 THR 31 HG21 THR 31 9.759 1.044 -0.766 260 HG22 THR 31 HG22 THR 31 8.100 0.930 -1.359 261 HG23 THR 31 HG23 THR 31 9.360 1.614 -2.389 262 H VAL 32 H VAL 32 7.108 -3.068 -1.696 263 HA VAL 32 HA VAL 32 8.609 -5.350 -2.855 264 HB VAL 32 HB VAL 32 6.047 -5.559 -1.201 265 HG11 VAL 32 HG11 VAL 32 7.968 -7.718 -2.149 266 HG12 VAL 32 HG12 VAL 32 6.364 -7.400 -2.811 267 HG13 VAL 32 HG13 VAL 32 6.533 -7.979 -1.153 268 HG21 VAL 32 HG21 VAL 32 8.886 -6.123 -0.266 269 HG22 VAL 32 HG22 VAL 32 7.413 -6.452 0.651 270 HG23 VAL 32 HG23 VAL 32 7.861 -4.787 0.272 271 HA PRO 33 HA PRO 33 5.690 -4.207 -6.195 272 HB2 PRO 33 HB2 PRO 33 6.731 -5.774 -8.187 273 HB3 PRO 33 HB3 PRO 33 7.540 -4.289 -7.636 274 HG2 PRO 33 HG2 PRO 33 8.142 -7.144 -6.894 275 HG3 PRO 33 HG3 PRO 33 9.266 -5.831 -7.324 276 HD2 PRO 33 HD2 PRO 33 8.752 -6.545 -4.723 277 HD3 PRO 33 HD3 PRO 33 9.196 -4.888 -5.195 278 H THR 34 H THR 34 4.414 -5.528 -7.859 279 HA THR 34 HA THR 34 2.525 -7.144 -6.522 280 HB THR 34 HB THR 34 1.442 -7.376 -8.740 281 HG1 THR 34 HG1 THR 34 2.727 -6.296 -10.537 282 HG21 THR 34 HG21 THR 34 2.653 -4.597 -8.397 283 HG22 THR 34 HG22 THR 34 1.171 -5.180 -7.633 284 HG23 THR 34 HG23 THR 34 1.244 -4.986 -9.384 285 H LYS 35 H LYS 35 5.229 -7.851 -8.575 286 HA LYS 35 HA LYS 35 4.713 -10.557 -9.240 287 HB2 LYS 35 HB2 LYS 35 7.386 -9.095 -9.170 288 HB3 LYS 35 HB3 LYS 35 6.998 -10.533 -10.114 289 HG2 LYS 35 HG2 LYS 35 5.540 -9.290 -11.579 290 HG3 LYS 35 HG3 LYS 35 5.595 -7.867 -10.534 291 HD2 LYS 35 HD2 LYS 35 7.945 -9.013 -12.099 292 HD3 LYS 35 HD3 LYS 35 7.011 -7.585 -12.548 293 HE2 LYS 35 HE2 LYS 35 7.775 -6.434 -10.503 294 HE3 LYS 35 HE3 LYS 35 8.676 -7.869 -10.014 295 HZ1 LYS 35 HZ1 LYS 35 10.118 -6.251 -11.037 296 HZ2 LYS 35 HZ2 LYS 35 9.188 -6.242 -12.446 297 HZ3 LYS 35 HZ3 LYS 35 10.035 -7.638 -11.998 298 H ASP 36 H ASP 36 6.106 -8.993 -6.493 299 HA ASP 36 HA ASP 36 7.271 -11.457 -5.361 300 HB2 ASP 36 HB2 ASP 36 7.624 -8.497 -4.729 301 HB3 ASP 36 HB3 ASP 36 8.187 -9.748 -3.618 302 H LYS 37 H LYS 37 4.453 -11.241 -5.523 303 HA LYS 37 HA LYS 37 3.121 -10.291 -3.262 304 HB2 LYS 37 HB2 LYS 37 1.915 -10.869 -5.278 305 HB3 LYS 37 HB3 LYS 37 2.452 -12.534 -5.197 306 HG2 LYS 37 HG2 LYS 37 0.728 -11.475 -2.950 307 HG3 LYS 37 HG3 LYS 37 -0.028 -11.828 -4.500 308 HD2 LYS 37 HD2 LYS 37 1.498 -13.805 -2.747 309 HD3 LYS 37 HD3 LYS 37 -0.246 -13.760 -3.002 310 HE2 LYS 37 HE2 LYS 37 0.046 -14.372 -5.349 311 HE3 LYS 37 HE3 LYS 37 1.799 -14.283 -5.185 312 HZ1 LYS 37 HZ1 LYS 37 1.084 -16.544 -5.108 313 HZ2 LYS 37 HZ2 LYS 37 0.001 -16.226 -3.857 314 HZ3 LYS 37 HZ3 LYS 37 1.664 -16.117 -3.579 315 H GLU 38 H GLU 38 4.712 -13.424 -3.786 316 HA GLU 38 HA GLU 38 3.872 -14.692 -1.363 317 HB2 GLU 38 HB2 GLU 38 6.304 -15.234 -3.117 318 HB3 GLU 38 HB3 GLU 38 5.677 -16.332 -1.883 319 HG2 GLU 38 HG2 GLU 38 3.624 -16.660 -3.142 320 HG3 GLU 38 HG3 GLU 38 4.102 -15.431 -4.318 321 H LYS 39 H LYS 39 6.535 -12.603 -2.259 322 HA LYS 39 HA LYS 39 8.079 -12.974 0.152 323 HB2 LYS 39 HB2 LYS 39 8.367 -10.884 -2.057 324 HB3 LYS 39 HB3 LYS 39 9.488 -11.090 -0.722 325 HG2 LYS 39 HG2 LYS 39 10.546 -12.140 -2.543 326 HG3 LYS 39 HG3 LYS 39 9.885 -13.470 -1.594 327 HD2 LYS 39 HD2 LYS 39 8.062 -13.771 -3.157 328 HD3 LYS 39 HD3 LYS 39 8.487 -12.293 -4.019 329 HE2 LYS 39 HE2 LYS 39 9.208 -14.186 -5.339 330 HE3 LYS 39 HE3 LYS 39 10.643 -13.376 -4.712 331 HZ1 LYS 39 HZ1 LYS 39 10.776 -15.806 -4.542 332 HZ2 LYS 39 HZ2 LYS 39 9.420 -15.819 -3.539 333 HZ3 LYS 39 HZ3 LYS 39 10.840 -15.071 -3.023 334 H VAL 40 H VAL 40 5.399 -10.974 -0.792 335 HA VAL 40 HA VAL 40 5.668 -8.673 0.752 336 HB VAL 40 HB VAL 40 3.124 -10.224 0.073 337 HG11 VAL 40 HG11 VAL 40 3.331 -7.423 1.243 338 HG12 VAL 40 HG12 VAL 40 2.633 -8.838 2.032 339 HG13 VAL 40 HG13 VAL 40 1.851 -8.148 0.611 340 HG21 VAL 40 HG21 VAL 40 2.784 -8.517 -1.671 341 HG22 VAL 40 HG22 VAL 40 4.340 -9.323 -1.886 342 HG23 VAL 40 HG23 VAL 40 4.275 -7.704 -1.186 343 H LYS 41 H LYS 41 4.095 -11.746 1.704 344 HA LYS 41 HA LYS 41 3.345 -11.101 4.304 345 HB2 LYS 41 HB2 LYS 41 2.535 -13.085 3.053 346 HB3 LYS 41 HB3 LYS 41 4.135 -13.816 3.168 347 HG2 LYS 41 HG2 LYS 41 3.869 -13.743 5.691 348 HG3 LYS 41 HG3 LYS 41 2.193 -13.258 5.426 349 HD2 LYS 41 HD2 LYS 41 1.795 -15.392 4.200 350 HD3 LYS 41 HD3 LYS 41 3.471 -15.866 4.507 351 HE2 LYS 41 HE2 LYS 41 1.286 -15.434 6.575 352 HE3 LYS 41 HE3 LYS 41 2.040 -16.965 6.136 353 HZ1 LYS 41 HZ1 LYS 41 3.393 -14.676 7.486 354 HZ2 LYS 41 HZ2 LYS 41 4.140 -16.123 7.032 355 HZ3 LYS 41 HZ3 LYS 41 2.928 -16.133 8.204 356 H GLU 42 H GLU 42 6.352 -12.487 3.066 357 HA GLU 42 HA GLU 42 7.744 -12.982 5.443 358 HB2 GLU 42 HB2 GLU 42 8.876 -12.076 2.763 359 HB3 GLU 42 HB3 GLU 42 9.783 -12.884 4.038 360 HG2 GLU 42 HG2 GLU 42 7.470 -14.125 2.503 361 HG3 GLU 42 HG3 GLU 42 9.171 -14.347 2.096 362 H GLU 43 H GLU 43 7.695 -10.107 3.341 363 HA GLU 43 HA GLU 43 9.546 -8.558 4.850 364 HB2 GLU 43 HB2 GLU 43 7.591 -7.791 2.645 365 HB3 GLU 43 HB3 GLU 43 8.801 -6.696 3.308 366 HG2 GLU 43 HG2 GLU 43 9.363 -9.290 1.839 367 HG3 GLU 43 HG3 GLU 43 9.495 -7.668 1.162 368 H ILE 44 H ILE 44 6.062 -8.927 5.023 369 HA ILE 44 HA ILE 44 5.477 -6.514 6.476 370 HB ILE 44 HB ILE 44 3.908 -9.089 6.050 371 HG12 ILE 44 HG12 ILE 44 3.461 -6.229 5.087 372 HG13 ILE 44 HG13 ILE 44 3.999 -7.591 4.108 373 HG21 ILE 44 HG21 ILE 44 1.951 -8.078 7.195 374 HG22 ILE 44 HG22 ILE 44 2.951 -6.708 7.683 375 HG23 ILE 44 HG23 ILE 44 3.300 -8.322 8.303 376 HD11 ILE 44 HD11 ILE 44 1.293 -7.290 5.406 377 HD12 ILE 44 HD12 ILE 44 1.833 -8.684 4.462 378 HD13 ILE 44 HD13 ILE 44 1.680 -7.104 3.696 379 H GLU 45 H GLU 45 5.862 -9.938 7.369 380 HA GLU 45 HA GLU 45 5.632 -9.577 10.177 381 HB2 GLU 45 HB2 GLU 45 5.293 -11.735 8.853 382 HB3 GLU 45 HB3 GLU 45 7.047 -11.846 8.721 383 HG2 GLU 45 HG2 GLU 45 7.228 -11.955 11.180 384 HG3 GLU 45 HG3 GLU 45 5.475 -11.815 11.316 385 H LYS 46 H LYS 46 8.291 -9.417 7.911 386 HA LYS 46 HA LYS 46 10.468 -9.234 9.718 387 HB2 LYS 46 HB2 LYS 46 11.057 -9.839 7.536 388 HB3 LYS 46 HB3 LYS 46 9.983 -8.658 6.805 389 HG2 LYS 46 HG2 LYS 46 11.518 -6.857 7.373 390 HG3 LYS 46 HG3 LYS 46 12.611 -8.004 8.165 391 HD2 LYS 46 HD2 LYS 46 13.055 -9.123 6.049 392 HD3 LYS 46 HD3 LYS 46 11.799 -8.189 5.235 393 HE2 LYS 46 HE2 LYS 46 13.167 -6.123 5.656 394 HE3 LYS 46 HE3 LYS 46 14.450 -7.160 6.286 395 HZ1 LYS 46 HZ1 LYS 46 14.631 -8.228 4.164 396 HZ2 LYS 46 HZ2 LYS 46 14.733 -6.558 3.921 397 HZ3 LYS 46 HZ3 LYS 46 13.303 -7.380 3.554 398 H ALA 47 H ALA 47 8.483 -6.777 8.034 399 HA ALA 47 HA ALA 47 9.804 -4.477 9.043 400 HB1 ALA 47 HB1 ALA 47 7.830 -3.231 8.248 401 HB2 ALA 47 HB2 ALA 47 6.948 -4.747 8.030 402 HB3 ALA 47 HB3 ALA 47 8.369 -4.401 7.040 403 H ARG 48 H ARG 48 7.065 -6.381 10.162 404 HA ARG 48 HA ARG 48 6.205 -4.926 12.381 405 HB2 ARG 48 HB2 ARG 48 4.890 -6.786 11.548 406 HB3 ARG 48 HB3 ARG 48 6.223 -7.913 11.779 407 HG2 ARG 48 HG2 ARG 48 5.993 -7.662 14.242 408 HG3 ARG 48 HG3 ARG 48 4.643 -6.550 13.992 409 HD2 ARG 48 HD2 ARG 48 3.323 -8.316 12.966 410 HD3 ARG 48 HD3 ARG 48 4.689 -9.432 13.026 411 HE ARG 48 HE ARG 48 4.095 -8.544 15.641 412 HH11 ARG 48 HH11 ARG 48 2.733 -10.640 13.156 413 HH12 ARG 48 HH12 ARG 48 1.922 -11.663 14.291 414 HH21 ARG 48 HH21 ARG 48 3.024 -9.943 17.113 415 HH22 ARG 48 HH22 ARG 48 2.086 -11.270 16.519 416 H LYS 49 H LYS 49 8.718 -7.409 12.037 417 HA LYS 49 HA LYS 49 9.431 -7.614 14.773 418 HB2 LYS 49 HB2 LYS 49 9.869 -9.228 12.672 419 HB3 LYS 49 HB3 LYS 49 11.387 -8.352 12.574 420 HG2 LYS 49 HG2 LYS 49 10.424 -9.784 15.064 421 HG3 LYS 49 HG3 LYS 49 11.443 -10.549 13.845 422 HD2 LYS 49 HD2 LYS 49 13.282 -9.064 14.331 423 HD3 LYS 49 HD3 LYS 49 12.267 -8.014 15.322 424 HE2 LYS 49 HE2 LYS 49 13.736 -9.417 16.712 425 HE3 LYS 49 HE3 LYS 49 12.038 -9.794 17.003 426 HZ1 LYS 49 HZ1 LYS 49 12.267 -11.725 15.556 427 HZ2 LYS 49 HZ2 LYS 49 13.360 -11.796 16.836 428 HZ3 LYS 49 HZ3 LYS 49 13.897 -11.363 15.295 429 H GLN 50 H GLN 50 10.659 -5.688 12.078 430 HA GLN 50 HA GLN 50 12.918 -4.604 13.544 431 HB2 GLN 50 HB2 GLN 50 11.820 -3.923 10.780 432 HB3 GLN 50 HB3 GLN 50 13.320 -3.285 11.454 433 HG2 GLN 50 HG2 GLN 50 12.748 -6.200 10.813 434 HG3 GLN 50 HG3 GLN 50 13.756 -5.107 9.871 435 HE21 GLN 50 HE21 GLN 50 13.564 -7.065 12.744 436 HE22 GLN 50 HE22 GLN 50 15.232 -6.953 13.181 437 H GLY 51 H GLY 51 9.594 -3.786 13.230 438 HA2 GLY 51 HA2 GLY 51 8.345 -2.025 14.015 439 HA3 GLY 51 HA3 GLY 51 9.794 -1.380 14.777 440 H ARG 52 H ARG 52 8.809 -1.990 11.424 441 HA ARG 52 HA ARG 52 9.358 0.781 10.638 442 HB2 ARG 52 HB2 ARG 52 10.624 -1.757 9.558 443 HB3 ARG 52 HB3 ARG 52 10.311 -0.445 8.429 444 HG2 ARG 52 HG2 ARG 52 12.044 -0.260 10.918 445 HG3 ARG 52 HG3 ARG 52 12.615 -0.368 9.248 446 HD2 ARG 52 HD2 ARG 52 11.351 1.775 8.775 447 HD3 ARG 52 HD3 ARG 52 11.045 1.909 10.506 448 HE ARG 52 HE ARG 52 13.651 1.816 10.604 449 HH11 ARG 52 HH11 ARG 52 11.670 3.518 8.246 450 HH12 ARG 52 HH12 ARG 52 12.861 4.739 7.948 451 HH21 ARG 52 HH21 ARG 52 15.223 3.413 10.151 452 HH22 ARG 52 HH22 ARG 52 14.870 4.683 9.025 453 HA PRO 53 HA PRO 53 5.771 0.039 7.930 454 HB2 PRO 53 HB2 PRO 53 6.046 2.054 6.117 455 HB3 PRO 53 HB3 PRO 53 5.556 2.374 7.798 456 HG2 PRO 53 HG2 PRO 53 8.286 2.630 6.558 457 HG3 PRO 53 HG3 PRO 53 7.433 3.764 7.634 458 HD2 PRO 53 HD2 PRO 53 9.330 2.011 8.546 459 HD3 PRO 53 HD3 PRO 53 7.970 2.557 9.554 460 H ILE 54 H ILE 54 5.338 -0.771 5.875 461 HA ILE 54 HA ILE 54 7.543 -1.341 3.999 462 HB ILE 54 HB ILE 54 7.303 -3.459 5.102 463 HG12 ILE 54 HG12 ILE 54 5.780 -3.405 2.461 464 HG13 ILE 54 HG13 ILE 54 7.464 -3.836 2.741 465 HG21 ILE 54 HG21 ILE 54 5.182 -4.605 5.550 466 HG22 ILE 54 HG22 ILE 54 4.290 -3.255 4.843 467 HG23 ILE 54 HG23 ILE 54 5.221 -3.018 6.324 468 HD11 ILE 54 HD11 ILE 54 6.207 -5.786 2.212 469 HD12 ILE 54 HD12 ILE 54 5.028 -5.443 3.474 470 HD13 ILE 54 HD13 ILE 54 6.685 -5.872 3.906 471 H VAL 55 H VAL 55 6.983 -0.587 2.031 472 HA VAL 55 HA VAL 55 4.163 -0.008 1.418 473 HB VAL 55 HB VAL 55 6.675 0.800 -0.108 474 HG11 VAL 55 HG11 VAL 55 3.780 1.656 -0.485 475 HG12 VAL 55 HG12 VAL 55 4.715 0.640 -1.586 476 HG13 VAL 55 HG13 VAL 55 5.166 2.330 -1.353 477 HG21 VAL 55 HG21 VAL 55 4.925 2.455 1.755 478 HG22 VAL 55 HG22 VAL 55 6.275 3.071 0.799 479 HG23 VAL 55 HG23 VAL 55 6.569 1.910 2.095 480 H VAL 56 H VAL 56 3.221 -1.792 0.703 481 HA VAL 56 HA VAL 56 4.423 -3.595 -1.247 482 HB VAL 56 HB VAL 56 1.640 -3.664 0.020 483 HG11 VAL 56 HG11 VAL 56 1.747 -4.954 -2.073 484 HG12 VAL 56 HG12 VAL 56 1.606 -6.046 -0.692 485 HG13 VAL 56 HG13 VAL 56 3.166 -5.828 -1.490 486 HG21 VAL 56 HG21 VAL 56 3.373 -3.853 1.766 487 HG22 VAL 56 HG22 VAL 56 4.156 -5.163 0.875 488 HG23 VAL 56 HG23 VAL 56 2.540 -5.396 1.550 489 H PHE 57 H PHE 57 3.750 -3.715 -3.341 490 HA PHE 57 HA PHE 57 1.781 -1.758 -4.335 491 HB2 PHE 57 HB2 PHE 57 4.161 -3.015 -5.774 492 HB3 PHE 57 HB3 PHE 57 2.997 -1.908 -6.509 493 HD1 PHE 57 HD1 PHE 57 2.655 0.385 -5.223 494 HD2 PHE 57 HD2 PHE 57 6.147 -2.076 -4.878 495 HE1 PHE 57 HE1 PHE 57 3.940 2.311 -4.418 496 HE2 PHE 57 HE2 PHE 57 7.414 -0.137 -4.077 497 HZ PHE 57 HZ PHE 57 6.317 2.051 -3.842 498 H VAL 58 H VAL 58 -0.052 -2.705 -4.686 499 HA VAL 58 HA VAL 58 -0.257 -5.444 -5.807 500 HB VAL 58 HB VAL 58 -2.349 -3.876 -4.198 501 HG11 VAL 58 HG11 VAL 58 -3.570 -6.021 -4.057 502 HG12 VAL 58 HG12 VAL 58 -2.339 -6.789 -5.064 503 HG13 VAL 58 HG13 VAL 58 -3.355 -5.513 -5.735 504 HG21 VAL 58 HG21 VAL 58 -0.573 -6.155 -3.234 505 HG22 VAL 58 HG22 VAL 58 -1.874 -5.401 -2.305 506 HG23 VAL 58 HG23 VAL 58 -0.442 -4.464 -2.740 507 H ARG 59 H ARG 59 -1.761 -5.657 -7.617 508 HA ARG 59 HA ARG 59 -2.301 -3.216 -9.132 509 HB2 ARG 59 HB2 ARG 59 -3.015 -6.116 -9.744 510 HB3 ARG 59 HB3 ARG 59 -3.244 -4.764 -10.853 511 HG2 ARG 59 HG2 ARG 59 -0.818 -4.421 -10.979 512 HG3 ARG 59 HG3 ARG 59 -0.557 -5.703 -9.793 513 HD2 ARG 59 HD2 ARG 59 -1.648 -7.310 -11.395 514 HD3 ARG 59 HD3 ARG 59 -1.683 -6.014 -12.598 515 HE ARG 59 HE ARG 59 0.893 -6.023 -12.032 516 HH11 ARG 59 HH11 ARG 59 -1.189 -8.809 -12.531 517 HH12 ARG 59 HH12 ARG 59 0.090 -9.809 -13.132 518 HH21 ARG 59 HH21 ARG 59 2.563 -7.332 -12.842 519 HH22 ARG 59 HH22 ARG 59 2.223 -8.962 -13.306 520 H GLY 60 H GLY 60 -4.469 -2.703 -9.924 521 HA2 GLY 60 HA2 GLY 60 -6.555 -2.729 -7.999 522 HA3 GLY 60 HA3 GLY 60 -6.726 -2.297 -9.695 523 H GLY 61 H GLY 61 -5.746 -4.845 -10.689 524 HA2 GLY 61 HA2 GLY 61 -8.172 -6.373 -10.740 525 HA3 GLY 61 HA3 GLY 61 -6.644 -6.805 -11.489 526 H ASP 62 H ASP 62 -5.315 -6.516 -8.758 527 HA ASP 62 HA ASP 62 -5.948 -9.214 -7.738 528 HB2 ASP 62 HB2 ASP 62 -3.601 -7.329 -7.199 529 HB3 ASP 62 HB3 ASP 62 -3.810 -8.881 -6.389 530 H ASP 63 H ASP 63 -8.034 -7.899 -7.174 531 HA ASP 63 HA ASP 63 -8.163 -6.121 -4.994 532 HB2 ASP 63 HB2 ASP 63 -9.971 -6.440 -6.685 533 HB3 ASP 63 HB3 ASP 63 -10.295 -8.049 -6.045 534 H GLU 64 H GLU 64 -8.584 -9.658 -5.162 535 HA GLU 64 HA GLU 64 -9.190 -10.110 -2.451 536 HB2 GLU 64 HB2 GLU 64 -8.132 -11.890 -4.656 537 HB3 GLU 64 HB3 GLU 64 -8.274 -12.506 -3.017 538 HG2 GLU 64 HG2 GLU 64 -10.217 -13.138 -4.360 539 HG3 GLU 64 HG3 GLU 64 -10.670 -12.097 -3.010 540 H ARG 65 H ARG 65 -6.081 -10.301 -4.194 541 HA ARG 65 HA ARG 65 -4.466 -11.061 -2.031 542 HB2 ARG 65 HB2 ARG 65 -3.747 -9.454 -4.523 543 HB3 ARG 65 HB3 ARG 65 -2.555 -10.096 -3.389 544 HG2 ARG 65 HG2 ARG 65 -3.418 -12.398 -3.852 545 HG3 ARG 65 HG3 ARG 65 -4.505 -11.718 -5.061 546 HD2 ARG 65 HD2 ARG 65 -2.681 -11.065 -6.464 547 HD3 ARG 65 HD3 ARG 65 -1.496 -11.371 -5.190 548 HE ARG 65 HE ARG 65 -2.472 -13.807 -5.459 549 HH11 ARG 65 HH11 ARG 65 -1.661 -11.560 -8.059 550 HH12 ARG 65 HH12 ARG 65 -1.266 -12.822 -9.181 551 HH21 ARG 65 HH21 ARG 65 -1.925 -15.434 -6.937 552 HH22 ARG 65 HH22 ARG 65 -1.415 -15.014 -8.543 553 H ALA 66 H ALA 66 -5.545 -7.868 -3.081 554 HA ALA 66 HA ALA 66 -3.988 -6.234 -1.411 555 HB1 ALA 66 HB1 ALA 66 -5.320 -5.391 -3.288 556 HB2 ALA 66 HB2 ALA 66 -5.723 -4.535 -1.799 557 HB3 ALA 66 HB3 ALA 66 -6.812 -5.778 -2.424 558 H LYS 67 H LYS 67 -7.264 -7.593 -0.860 559 HA LYS 67 HA LYS 67 -7.486 -6.365 1.749 560 HB2 LYS 67 HB2 LYS 67 -9.739 -7.261 1.812 561 HB3 LYS 67 HB3 LYS 67 -9.422 -6.520 0.247 562 HG2 LYS 67 HG2 LYS 67 -8.899 -8.953 -0.552 563 HG3 LYS 67 HG3 LYS 67 -9.739 -9.451 0.923 564 HD2 LYS 67 HD2 LYS 67 -11.740 -8.125 0.179 565 HD3 LYS 67 HD3 LYS 67 -10.888 -7.725 -1.317 566 HE2 LYS 67 HE2 LYS 67 -10.736 -10.211 -1.769 567 HE3 LYS 67 HE3 LYS 67 -11.805 -10.460 -0.388 568 HZ1 LYS 67 HZ1 LYS 67 -13.503 -9.216 -1.474 569 HZ2 LYS 67 HZ2 LYS 67 -12.948 -10.395 -2.551 570 HZ3 LYS 67 HZ3 LYS 67 -12.471 -8.784 -2.744 571 H ASP 68 H ASP 68 -6.570 -9.547 0.588 572 HA ASP 68 HA ASP 68 -6.853 -10.934 3.101 573 HB2 ASP 68 HB2 ASP 68 -5.354 -11.666 0.545 574 HB3 ASP 68 HB3 ASP 68 -5.397 -12.713 1.964 575 H ILE 69 H ILE 69 -4.189 -9.381 1.351 576 HA ILE 69 HA ILE 69 -2.185 -9.874 3.339 577 HB ILE 69 HB ILE 69 -2.344 -7.911 1.012 578 HG12 ILE 69 HG12 ILE 69 -0.576 -10.380 1.379 579 HG13 ILE 69 HG13 ILE 69 -2.092 -10.368 0.485 580 HG21 ILE 69 HG21 ILE 69 0.037 -7.377 1.335 581 HG22 ILE 69 HG22 ILE 69 0.053 -8.332 2.818 582 HG23 ILE 69 HG23 ILE 69 -0.927 -6.869 2.722 583 HD11 ILE 69 HD11 ILE 69 -1.134 -8.771 -1.113 584 HD12 ILE 69 HD12 ILE 69 -0.201 -10.265 -1.023 585 HD13 ILE 69 HD13 ILE 69 0.395 -8.806 -0.228 586 H ALA 70 H ALA 70 -4.580 -7.324 2.756 587 HA ALA 70 HA ALA 70 -3.816 -5.474 4.769 588 HB1 ALA 70 HB1 ALA 70 -6.583 -6.005 3.624 589 HB2 ALA 70 HB2 ALA 70 -5.380 -4.916 2.934 590 HB3 ALA 70 HB3 ALA 70 -6.086 -4.562 4.510 591 H GLU 71 H GLU 71 -5.899 -8.303 4.753 592 HA GLU 71 HA GLU 71 -6.949 -8.082 7.374 593 HB2 GLU 71 HB2 GLU 71 -7.906 -9.490 5.502 594 HB3 GLU 71 HB3 GLU 71 -6.551 -10.594 5.690 595 HG2 GLU 71 HG2 GLU 71 -8.558 -11.457 6.800 596 HG3 GLU 71 HG3 GLU 71 -7.270 -11.136 7.967 597 H TYR 72 H TYR 72 -4.285 -9.960 5.962 598 HA TYR 72 HA TYR 72 -3.231 -11.196 8.215 599 HB2 TYR 72 HB2 TYR 72 -2.518 -11.779 5.918 600 HB3 TYR 72 HB3 TYR 72 -1.790 -10.190 5.705 601 HD1 TYR 72 HD1 TYR 72 -1.516 -13.354 7.678 602 HD2 TYR 72 HD2 TYR 72 0.510 -9.810 6.384 603 HE1 TYR 72 HE1 TYR 72 0.593 -14.227 8.579 604 HE2 TYR 72 HE2 TYR 72 2.616 -10.692 7.291 605 HH TYR 72 HH TYR 72 3.276 -12.358 9.131 606 H ALA 73 H ALA 73 -2.499 -8.010 6.826 607 HA ALA 73 HA ALA 73 -0.368 -7.269 8.514 608 HB1 ALA 73 HB1 ALA 73 -0.811 -6.204 6.346 609 HB2 ALA 73 HB2 ALA 73 -0.762 -4.996 7.631 610 HB3 ALA 73 HB3 ALA 73 -2.316 -5.518 6.972 611 H GLN 74 H GLN 74 -3.884 -6.732 8.768 612 HA GLN 74 HA GLN 74 -3.750 -5.101 11.121 613 HB2 GLN 74 HB2 GLN 74 -5.646 -4.991 9.509 614 HB3 GLN 74 HB3 GLN 74 -6.132 -6.621 9.965 615 HG2 GLN 74 HG2 GLN 74 -6.790 -5.909 12.163 616 HG3 GLN 74 HG3 GLN 74 -5.984 -4.353 11.967 617 HE21 GLN 74 HE21 GLN 74 -8.821 -6.224 11.130 618 HE22 GLN 74 HE22 GLN 74 -9.750 -4.900 10.533 619 H LYS 75 H LYS 75 -4.095 -8.558 10.486 620 HA LYS 75 HA LYS 75 -4.558 -9.462 13.139 621 HB2 LYS 75 HB2 LYS 75 -3.232 -10.863 10.785 622 HB3 LYS 75 HB3 LYS 75 -3.647 -11.675 12.285 623 HG2 LYS 75 HG2 LYS 75 -5.814 -10.296 10.688 624 HG3 LYS 75 HG3 LYS 75 -5.209 -11.862 10.163 625 HD2 LYS 75 HD2 LYS 75 -7.185 -12.242 11.475 626 HD3 LYS 75 HD3 LYS 75 -5.807 -12.796 12.421 627 HE2 LYS 75 HE2 LYS 75 -5.912 -10.712 13.760 628 HE3 LYS 75 HE3 LYS 75 -7.282 -10.169 12.793 629 HZ1 LYS 75 HZ1 LYS 75 -8.532 -12.080 13.577 630 HZ2 LYS 75 HZ2 LYS 75 -8.009 -11.119 14.862 631 HZ3 LYS 75 HZ3 LYS 75 -7.224 -12.574 14.524 632 H GLU 76 H GLU 76 -1.609 -8.594 11.388 633 HA GLU 76 HA GLU 76 0.280 -9.561 13.319 634 HB2 GLU 76 HB2 GLU 76 0.616 -7.387 11.204 635 HB3 GLU 76 HB3 GLU 76 1.929 -8.153 12.090 636 HG2 GLU 76 HG2 GLU 76 0.089 -9.486 10.090 637 HG3 GLU 76 HG3 GLU 76 1.756 -9.008 9.815 638 H GLY 77 H GLY 77 -1.857 -6.889 13.309 639 HA2 GLY 77 HA2 GLY 77 -2.261 -5.334 14.971 640 HA3 GLY 77 HA3 GLY 77 -0.756 -5.776 15.767 641 H LEU 78 H LEU 78 -1.219 -4.809 12.401 642 HA LEU 78 HA LEU 78 0.576 -2.471 12.787 643 HB2 LEU 78 HB2 LEU 78 0.219 -4.094 10.225 644 HB3 LEU 78 HB3 LEU 78 1.429 -2.856 10.540 645 HG LEU 78 HG LEU 78 1.314 -5.639 11.783 646 HD11 LEU 78 HD11 LEU 78 3.335 -4.453 9.865 647 HD12 LEU 78 HD12 LEU 78 2.099 -5.653 9.477 648 HD13 LEU 78 HD13 LEU 78 3.398 -6.065 10.593 649 HD21 LEU 78 HD21 LEU 78 3.417 -5.128 12.902 650 HD22 LEU 78 HD22 LEU 78 2.147 -4.034 13.437 651 HD23 LEU 78 HD23 LEU 78 3.368 -3.472 12.294 652 H ARG 79 H ARG 79 0.067 -0.547 11.639 653 HA ARG 79 HA ARG 79 -2.683 -0.023 11.056 654 HB2 ARG 79 HB2 ARG 79 -0.149 1.572 11.033 655 HB3 ARG 79 HB3 ARG 79 -1.418 2.168 9.985 656 HG2 ARG 79 HG2 ARG 79 -1.559 3.358 12.034 657 HG3 ARG 79 HG3 ARG 79 -2.945 2.274 11.961 658 HD2 ARG 79 HD2 ARG 79 -0.419 1.616 13.503 659 HD3 ARG 79 HD3 ARG 79 -1.770 2.504 14.210 660 HE ARG 79 HE ARG 79 -2.525 -0.026 13.038 661 HH11 ARG 79 HH11 ARG 79 -1.373 1.530 15.966 662 HH12 ARG 79 HH12 ARG 79 -1.956 0.271 17.009 663 HH21 ARG 79 HH21 ARG 79 -3.269 -1.685 14.411 664 HH22 ARG 79 HH22 ARG 79 -3.028 -1.548 16.125 665 H VAL 80 H VAL 80 -3.713 -0.595 9.243 666 HA VAL 80 HA VAL 80 -2.210 -1.198 6.784 667 HB VAL 80 HB VAL 80 -5.173 -1.639 7.360 668 HG11 VAL 80 HG11 VAL 80 -5.104 -3.202 5.452 669 HG12 VAL 80 HG12 VAL 80 -3.403 -2.812 5.179 670 HG13 VAL 80 HG13 VAL 80 -4.642 -1.572 4.953 671 HG21 VAL 80 HG21 VAL 80 -2.898 -3.638 7.638 672 HG22 VAL 80 HG22 VAL 80 -4.618 -4.001 7.811 673 HG23 VAL 80 HG23 VAL 80 -3.822 -2.926 8.965 674 H ILE 81 H ILE 81 -1.925 0.471 5.499 675 HA ILE 81 HA ILE 81 -4.068 2.471 5.046 676 HB ILE 81 HB ILE 81 -1.032 2.709 4.928 677 HG12 ILE 81 HG12 ILE 81 -1.519 4.925 6.126 678 HG13 ILE 81 HG13 ILE 81 -3.204 4.437 6.202 679 HG21 ILE 81 HG21 ILE 81 -1.222 4.895 3.756 680 HG22 ILE 81 HG22 ILE 81 -2.932 4.568 3.471 681 HG23 ILE 81 HG23 ILE 81 -1.702 3.532 2.744 682 HD11 ILE 81 HD11 ILE 81 -0.892 3.008 7.491 683 HD12 ILE 81 HD12 ILE 81 -2.592 2.553 7.617 684 HD13 ILE 81 HD13 ILE 81 -2.032 4.080 8.297 685 H VAL 82 H VAL 82 -5.171 1.939 3.257 686 HA VAL 82 HA VAL 82 -3.855 0.488 1.036 687 HB VAL 82 HB VAL 82 -6.822 0.918 1.647 688 HG11 VAL 82 HG11 VAL 82 -5.564 -0.786 -0.531 689 HG12 VAL 82 HG12 VAL 82 -6.473 0.706 -0.776 690 HG13 VAL 82 HG13 VAL 82 -7.289 -0.726 -0.145 691 HG21 VAL 82 HG21 VAL 82 -5.762 -0.615 3.272 692 HG22 VAL 82 HG22 VAL 82 -5.161 -1.618 1.947 693 HG23 VAL 82 HG23 VAL 82 -6.898 -1.479 2.233 694 H ILE 83 H ILE 83 -3.046 1.920 -0.482 695 HA ILE 83 HA ILE 83 -4.556 4.407 -1.069 696 HB ILE 83 HB ILE 83 -1.662 3.734 -1.776 697 HG12 ILE 83 HG12 ILE 83 -2.760 5.614 0.370 698 HG13 ILE 83 HG13 ILE 83 -2.010 4.048 0.670 699 HG21 ILE 83 HG21 ILE 83 -1.462 6.126 -2.427 700 HG22 ILE 83 HG22 ILE 83 -3.185 6.351 -2.118 701 HG23 ILE 83 HG23 ILE 83 -2.656 5.281 -3.418 702 HD11 ILE 83 HD11 ILE 83 -0.639 6.472 -0.498 703 HD12 ILE 83 HD12 ILE 83 0.106 4.894 -0.224 704 HD13 ILE 83 HD13 ILE 83 -0.473 5.843 1.141 705 H ILE 84 H ILE 84 -6.010 3.894 -2.588 706 HA ILE 84 HA ILE 84 -5.358 2.189 -4.869 707 HB ILE 84 HB ILE 84 -7.932 3.735 -4.331 708 HG12 ILE 84 HG12 ILE 84 -7.359 0.818 -3.631 709 HG13 ILE 84 HG13 ILE 84 -7.274 2.134 -2.462 710 HG21 ILE 84 HG21 ILE 84 -8.974 2.093 -5.869 711 HG22 ILE 84 HG22 ILE 84 -7.402 1.331 -6.127 712 HG23 ILE 84 HG23 ILE 84 -7.679 2.985 -6.676 713 HD11 ILE 84 HD11 ILE 84 -9.721 1.253 -3.971 714 HD12 ILE 84 HD12 ILE 84 -9.636 2.603 -2.832 715 HD13 ILE 84 HD13 ILE 84 -9.344 0.959 -2.274 716 H VAL 85 H VAL 85 -4.364 3.078 -6.561 717 HA VAL 85 HA VAL 85 -4.747 5.918 -7.240 718 HB VAL 85 HB VAL 85 -2.592 4.149 -8.455 719 HG11 VAL 85 HG11 VAL 85 -3.012 6.317 -9.520 720 HG12 VAL 85 HG12 VAL 85 -1.426 6.316 -8.751 721 HG13 VAL 85 HG13 VAL 85 -2.777 7.151 -7.981 722 HG21 VAL 85 HG21 VAL 85 -2.297 3.898 -6.022 723 HG22 VAL 85 HG22 VAL 85 -2.313 5.652 -5.818 724 HG23 VAL 85 HG23 VAL 85 -0.995 4.879 -6.705 725 H SER 86 H SER 86 -6.476 6.000 -8.556 726 HA SER 86 HA SER 86 -6.452 4.574 -11.111 727 HB2 SER 86 HB2 SER 86 -8.875 4.551 -9.238 728 HB3 SER 86 HB3 SER 86 -8.845 3.914 -10.882 729 HG SER 86 HG SER 86 -6.863 2.845 -9.361 730 H GLN 87 H GLN 87 -7.065 5.962 -12.734 731 HA GLN 87 HA GLN 87 -7.850 8.671 -12.210 732 HB2 GLN 87 HB2 GLN 87 -8.007 8.917 -14.650 733 HB3 GLN 87 HB3 GLN 87 -6.519 8.091 -14.199 734 HG2 GLN 87 HG2 GLN 87 -7.528 5.920 -14.830 735 HG3 GLN 87 HG3 GLN 87 -9.018 6.743 -15.287 736 HE21 GLN 87 HE21 GLN 87 -7.185 5.097 -16.897 737 HE22 GLN 87 HE22 GLN 87 -6.714 6.083 -18.235 738 H ASP 88 H ASP 88 -9.573 5.687 -12.814 739 HA ASP 88 HA ASP 88 -12.190 6.874 -13.061 740 HB2 ASP 88 HB2 ASP 88 -11.422 4.023 -12.273 741 HB3 ASP 88 HB3 ASP 88 -13.046 4.568 -12.686 742 H GLU 89 H GLU 89 -12.697 8.176 -11.406 743 HA GLU 89 HA GLU 89 -12.126 7.748 -8.647 744 HB2 GLU 89 HB2 GLU 89 -14.197 9.564 -9.945 745 HB3 GLU 89 HB3 GLU 89 -13.619 9.683 -8.281 746 HG2 GLU 89 HG2 GLU 89 -11.366 10.230 -9.060 747 HG3 GLU 89 HG3 GLU 89 -11.857 10.002 -10.736 748 H GLU 90 H GLU 90 -14.646 6.703 -10.752 749 HA GLU 90 HA GLU 90 -16.583 5.808 -8.891 750 HB2 GLU 90 HB2 GLU 90 -16.683 6.167 -11.502 751 HB3 GLU 90 HB3 GLU 90 -16.054 4.532 -11.612 752 HG2 GLU 90 HG2 GLU 90 -18.626 5.260 -10.172 753 HG3 GLU 90 HG3 GLU 90 -18.565 4.806 -11.871 754 H ALA 91 H ALA 91 -13.702 4.278 -10.365 755 HA ALA 91 HA ALA 91 -13.965 1.727 -9.072 756 HB1 ALA 91 HB1 ALA 91 -12.717 1.966 -11.181 757 HB2 ALA 91 HB2 ALA 91 -11.687 1.290 -9.915 758 HB3 ALA 91 HB3 ALA 91 -11.525 2.990 -10.373 759 H LEU 92 H LEU 92 -12.251 4.744 -8.374 760 HA LEU 92 HA LEU 92 -10.697 4.029 -6.188 761 HB2 LEU 92 HB2 LEU 92 -12.142 6.627 -6.827 762 HB3 LEU 92 HB3 LEU 92 -11.126 6.470 -5.408 763 HG LEU 92 HG LEU 92 -10.187 6.230 -8.295 764 HD11 LEU 92 HD11 LEU 92 -9.643 8.410 -6.256 765 HD12 LEU 92 HD12 LEU 92 -10.699 8.549 -7.662 766 HD13 LEU 92 HD13 LEU 92 -8.968 8.311 -7.885 767 HD21 LEU 92 HD21 LEU 92 -8.586 6.056 -5.727 768 HD22 LEU 92 HD22 LEU 92 -7.912 6.118 -7.359 769 HD23 LEU 92 HD23 LEU 92 -8.893 4.742 -6.865 770 H ARG 93 H ARG 93 -14.132 5.017 -6.296 771 HA ARG 93 HA ARG 93 -14.578 5.020 -3.497 772 HB2 ARG 93 HB2 ARG 93 -16.013 6.244 -5.143 773 HB3 ARG 93 HB3 ARG 93 -16.645 4.703 -5.716 774 HG2 ARG 93 HG2 ARG 93 -17.575 4.250 -3.461 775 HG3 ARG 93 HG3 ARG 93 -16.929 5.785 -2.885 776 HD2 ARG 93 HD2 ARG 93 -18.405 6.990 -4.447 777 HD3 ARG 93 HD3 ARG 93 -19.042 5.449 -5.035 778 HE ARG 93 HE ARG 93 -19.718 5.107 -2.597 779 HH11 ARG 93 HH11 ARG 93 -19.707 8.298 -4.108 780 HH12 ARG 93 HH12 ARG 93 -20.945 8.916 -3.059 781 HH21 ARG 93 HH21 ARG 93 -21.307 5.943 -1.240 782 HH22 ARG 93 HH22 ARG 93 -21.849 7.575 -1.435 783 H LYS 94 H LYS 94 -14.992 2.502 -5.990 784 HA LYS 94 HA LYS 94 -16.510 0.636 -4.551 785 HB2 LYS 94 HB2 LYS 94 -14.530 0.338 -6.824 786 HB3 LYS 94 HB3 LYS 94 -15.229 -1.098 -6.084 787 HG2 LYS 94 HG2 LYS 94 -17.519 -0.181 -6.649 788 HG3 LYS 94 HG3 LYS 94 -16.715 1.112 -7.552 789 HD2 LYS 94 HD2 LYS 94 -15.826 -0.398 -9.159 790 HD3 LYS 94 HD3 LYS 94 -16.089 -1.804 -8.126 791 HE2 LYS 94 HE2 LYS 94 -17.690 -1.824 -9.955 792 HE3 LYS 94 HE3 LYS 94 -18.539 -1.542 -8.435 793 HZ1 LYS 94 HZ1 LYS 94 -17.782 0.574 -10.372 794 HZ2 LYS 94 HZ2 LYS 94 -18.681 0.795 -8.960 795 HZ3 LYS 94 HZ3 LYS 94 -19.315 -0.112 -10.234 796 H GLY 95 H GLY 95 -12.967 0.816 -4.898 797 HA2 GLY 95 HA2 GLY 95 -12.410 -1.282 -3.033 798 HA3 GLY 95 HA3 GLY 95 -11.261 -0.144 -3.715 799 H TYR 96 H TYR 96 -12.816 2.205 -2.803 800 HA TYR 96 HA TYR 96 -11.363 2.733 -0.463 801 HB2 TYR 96 HB2 TYR 96 -12.086 4.541 -1.944 802 HB3 TYR 96 HB3 TYR 96 -13.776 4.176 -1.634 803 HD1 TYR 96 HD2 TYR 96 -10.656 5.138 0.273 804 HD2 TYR 96 HD1 TYR 96 -14.904 5.565 -0.059 805 HE1 TYR 96 HE2 TYR 96 -10.632 6.792 2.069 806 HE2 TYR 96 HE1 TYR 96 -14.861 7.223 1.762 807 HH TYR 96 HH TYR 96 -11.859 8.502 3.026 808 H GLU 97 H GLU 97 -14.896 2.276 -0.862 809 HA GLU 97 HA GLU 97 -15.375 2.382 1.965 810 HB2 GLU 97 HB2 GLU 97 -17.305 1.433 -0.190 811 HB3 GLU 97 HB3 GLU 97 -17.705 2.008 1.431 812 HG2 GLU 97 HG2 GLU 97 -16.860 4.268 0.809 813 HG3 GLU 97 HG3 GLU 97 -16.549 3.683 -0.828 814 H ASP 98 H ASP 98 -14.937 -0.209 -0.392 815 HA ASP 98 HA ASP 98 -15.940 -2.364 1.154 816 HB2 ASP 98 HB2 ASP 98 -15.598 -2.492 -1.301 817 HB3 ASP 98 HB3 ASP 98 -13.854 -2.425 -1.067 818 H LYS 99 H LYS 99 -12.644 -1.049 0.821 819 HA LYS 99 HA LYS 99 -11.503 -2.917 2.733 820 HB2 LYS 99 HB2 LYS 99 -10.385 -0.610 1.119 821 HB3 LYS 99 HB3 LYS 99 -9.451 -1.263 2.458 822 HG2 LYS 99 HG2 LYS 99 -8.752 -2.231 0.297 823 HG3 LYS 99 HG3 LYS 99 -9.368 -3.458 1.408 824 HD2 LYS 99 HD2 LYS 99 -11.543 -3.447 0.185 825 HD3 LYS 99 HD3 LYS 99 -10.901 -2.248 -0.938 826 HE2 LYS 99 HE2 LYS 99 -9.327 -3.835 -1.829 827 HE3 LYS 99 HE3 LYS 99 -9.687 -4.998 -0.552 828 HZ1 LYS 99 HZ1 LYS 99 -10.797 -5.615 -2.570 829 HZ2 LYS 99 HZ2 LYS 99 -11.554 -4.110 -2.680 830 HZ3 LYS 99 HZ3 LYS 99 -11.948 -5.152 -1.417 831 H LYS 100 H LYS 100 -12.720 0.407 2.807 832 HA LYS 100 HA LYS 100 -11.489 1.164 5.279 833 HB2 LYS 100 HB2 LYS 100 -12.217 2.817 3.560 834 HB3 LYS 100 HB3 LYS 100 -13.897 2.420 3.907 835 HG2 LYS 100 HG2 LYS 100 -13.574 3.240 6.242 836 HG3 LYS 100 HG3 LYS 100 -11.919 3.702 5.820 837 HD2 LYS 100 HD2 LYS 100 -12.797 5.282 4.119 838 HD3 LYS 100 HD3 LYS 100 -14.454 4.807 4.525 839 HE2 LYS 100 HE2 LYS 100 -14.137 5.672 6.811 840 HE3 LYS 100 HE3 LYS 100 -12.472 6.110 6.433 841 HZ1 LYS 100 HZ1 LYS 100 -13.864 8.029 6.316 842 HZ2 LYS 100 HZ2 LYS 100 -14.918 7.276 5.231 843 HZ3 LYS 100 HZ3 LYS 100 -13.346 7.647 4.756 844 H LYS 101 H LYS 101 -14.600 -0.321 4.472 845 HA LYS 101 HA LYS 101 -15.878 -0.030 6.993 846 HB2 LYS 101 HB2 LYS 101 -17.458 -1.708 6.233 847 HB3 LYS 101 HB3 LYS 101 -17.046 -0.687 4.860 848 HG2 LYS 101 HG2 LYS 101 -15.443 -2.449 4.088 849 HG3 LYS 101 HG3 LYS 101 -15.996 -3.487 5.407 850 HD2 LYS 101 HD2 LYS 101 -18.290 -3.466 4.458 851 HD3 LYS 101 HD3 LYS 101 -17.745 -2.408 3.152 852 HE2 LYS 101 HE2 LYS 101 -16.141 -4.224 2.447 853 HE3 LYS 101 HE3 LYS 101 -16.872 -5.273 3.665 854 HZ1 LYS 101 HZ1 LYS 101 -18.306 -4.042 1.373 855 HZ2 LYS 101 HZ2 LYS 101 -18.976 -5.093 2.514 856 HZ3 LYS 101 HZ3 LYS 101 -17.781 -5.646 1.455 857 H LYS 102 H LYS 102 -13.363 -2.124 5.879 858 HA LYS 102 HA LYS 102 -13.522 -4.043 8.065 859 HB2 LYS 102 HB2 LYS 102 -11.419 -3.655 5.891 860 HB3 LYS 102 HB3 LYS 102 -11.513 -5.024 6.998 861 HG2 LYS 102 HG2 LYS 102 -13.678 -5.688 6.009 862 HG3 LYS 102 HG3 LYS 102 -13.618 -4.298 4.924 863 HD2 LYS 102 HD2 LYS 102 -12.948 -6.370 3.767 864 HD3 LYS 102 HD3 LYS 102 -11.613 -5.214 3.824 865 HE2 LYS 102 HE2 LYS 102 -10.894 -7.556 4.294 866 HE3 LYS 102 HE3 LYS 102 -10.558 -6.468 5.640 867 HZ1 LYS 102 HZ1 LYS 102 -12.540 -7.298 6.751 868 HZ2 LYS 102 HZ2 LYS 102 -11.468 -8.554 6.398 869 HZ3 LYS 102 HZ3 LYS 102 -12.858 -8.343 5.456 870 H GLY 103 H GLY 103 -12.642 -0.920 8.042 871 HA2 GLY 103 HA2 GLY 103 -11.756 0.299 9.776 872 HA3 GLY 103 HA3 GLY 103 -11.113 -1.166 10.494 873 H TYR 104 H TYR 104 -10.463 -0.293 7.164 874 HA TYR 104 HA TYR 104 -7.609 0.146 7.806 875 HB2 TYR 104 HB2 TYR 104 -8.861 -0.314 5.059 876 HB3 TYR 104 HB3 TYR 104 -7.146 -0.336 5.454 877 HD1 TYR 104 HD2 TYR 104 -7.512 -2.067 8.068 878 HD2 TYR 104 HD1 TYR 104 -8.907 -2.516 4.056 879 HE1 TYR 104 HE2 TYR 104 -7.647 -4.488 8.383 880 HE2 TYR 104 HE1 TYR 104 -9.047 -4.942 4.380 881 HH TYR 104 HH TYR 104 -8.006 -6.678 5.858 882 H ASP 105 H ASP 105 -6.574 2.071 7.284 883 HA ASP 105 HA ASP 105 -8.162 4.399 6.569 884 HB2 ASP 105 HB2 ASP 105 -5.190 3.989 7.128 885 HB3 ASP 105 HB3 ASP 105 -5.816 5.529 6.547 886 H VAL 106 H VAL 106 -8.870 4.328 4.476 887 HA VAL 106 HA VAL 106 -7.008 3.484 2.351 888 HB VAL 106 HB VAL 106 -10.026 3.866 2.127 889 HG11 VAL 106 HG11 VAL 106 -9.799 2.513 0.055 890 HG12 VAL 106 HG12 VAL 106 -8.049 2.460 0.285 891 HG13 VAL 106 HG13 VAL 106 -8.849 4.001 -0.037 892 HG21 VAL 106 HG21 VAL 106 -10.222 1.407 2.282 893 HG22 VAL 106 HG22 VAL 106 -9.538 2.083 3.763 894 HG23 VAL 106 HG23 VAL 106 -8.486 1.286 2.591 895 H TYR 107 H TYR 107 -6.278 4.920 0.921 896 HA TYR 107 HA TYR 107 -7.433 7.629 0.754 897 HB2 TYR 107 HB2 TYR 107 -4.560 6.730 0.205 898 HB3 TYR 107 HB3 TYR 107 -5.168 8.377 0.042 899 HD1 TYR 107 HD1 TYR 107 -6.250 9.432 2.199 900 HD2 TYR 107 HD2 TYR 107 -3.583 6.094 2.277 901 HE1 TYR 107 HE1 TYR 107 -5.781 9.859 4.573 902 HE2 TYR 107 HE2 TYR 107 -3.109 6.521 4.643 903 HH TYR 107 HH TYR 107 -3.189 8.478 6.201 904 H THR 108 H THR 108 -8.077 8.289 -1.199 905 HA THR 108 HA THR 108 -7.731 6.530 -3.552 906 HB THR 108 HB THR 108 -9.718 7.813 -4.445 907 HG1 THR 108 HG1 THR 108 -9.498 9.719 -3.207 908 HG21 THR 108 HG21 THR 108 -11.426 6.789 -2.964 909 HG22 THR 108 HG22 THR 108 -10.188 6.480 -1.745 910 HG23 THR 108 HG23 THR 108 -10.114 5.657 -3.306 911 H SER 109 H SER 109 -6.722 7.336 -5.333 912 HA SER 109 HA SER 109 -5.949 10.169 -5.465 913 HB2 SER 109 HB2 SER 109 -3.568 9.438 -6.035 914 HB3 SER 109 HB3 SER 109 -4.037 9.203 -4.359 915 HG SER 109 HG SER 109 -4.671 6.976 -5.373 916 H ARG 110 H ARG 110 -6.080 10.947 -7.443 917 HA ARG 110 HA ARG 110 -7.108 9.573 -9.659 918 HB2 ARG 110 HB2 ARG 110 -5.996 12.301 -9.131 919 HB3 ARG 110 HB3 ARG 110 -5.931 11.809 -10.809 920 HG2 ARG 110 HG2 ARG 110 -8.463 11.859 -9.140 921 HG3 ARG 110 HG3 ARG 110 -7.953 13.129 -10.260 922 HD2 ARG 110 HD2 ARG 110 -7.891 11.304 -12.067 923 HD3 ARG 110 HD3 ARG 110 -8.754 10.275 -10.917 924 HE ARG 110 HE ARG 110 -10.366 12.354 -10.929 925 HH11 ARG 110 HH11 ARG 110 -8.778 10.893 -13.700 926 HH12 ARG 110 HH12 ARG 110 -10.041 11.313 -14.803 927 HH21 ARG 110 HH21 ARG 110 -12.032 12.855 -12.371 928 HH22 ARG 110 HH22 ARG 110 -11.885 12.433 -14.044 929 H ASN 111 H ASN 111 -3.799 10.307 -8.716 930 HA ASN 111 HA ASN 111 -2.616 8.673 -10.786 931 HB2 ASN 111 HB2 ASN 111 -1.411 10.518 -11.894 932 HB3 ASN 111 HB3 ASN 111 -3.149 10.740 -12.049 933 HD21 ASN 111 HD21 ASN 111 -1.090 12.733 -12.300 934 HD22 ASN 111 HD22 ASN 111 -1.384 13.930 -11.095 935 H GLU 112 H GLU 112 -0.090 9.329 -10.763 936 HA GLU 112 HA GLU 112 0.768 8.351 -8.250 937 HB2 GLU 112 HB2 GLU 112 1.775 7.714 -10.443 938 HB3 GLU 112 HB3 GLU 112 2.455 9.326 -10.594 939 HG2 GLU 112 HG2 GLU 112 3.139 7.646 -8.195 940 HG3 GLU 112 HG3 GLU 112 3.932 7.298 -9.728 941 H ASP 113 H ASP 113 0.677 11.621 -9.590 942 HA ASP 113 HA ASP 113 2.442 12.920 -7.793 943 HB2 ASP 113 HB2 ASP 113 -0.127 14.005 -9.054 944 HB3 ASP 113 HB3 ASP 113 1.077 14.996 -8.231 945 H GLU 114 H GLU 114 -1.059 12.319 -7.555 946 HA GLU 114 HA GLU 114 -1.426 13.391 -4.946 947 HB2 GLU 114 HB2 GLU 114 -3.138 11.370 -6.450 948 HB3 GLU 114 HB3 GLU 114 -3.651 12.314 -5.048 949 HG2 GLU 114 HG2 GLU 114 -2.768 13.529 -7.670 950 HG3 GLU 114 HG3 GLU 114 -4.448 13.159 -7.286 951 H ALA 115 H ALA 115 -0.856 10.150 -6.207 952 HA ALA 115 HA ALA 115 -1.221 8.653 -3.831 953 HB1 ALA 115 HB1 ALA 115 0.459 8.017 -6.279 954 HB2 ALA 115 HB2 ALA 115 -1.261 7.660 -6.083 955 HB3 ALA 115 HB3 ALA 115 -0.068 6.859 -5.058 956 H LYS 116 H LYS 116 1.543 10.280 -5.256 957 HA LYS 116 HA LYS 116 3.663 9.362 -3.659 958 HB2 LYS 116 HB2 LYS 116 4.098 10.558 -5.731 959 HB3 LYS 116 HB3 LYS 116 3.204 11.971 -5.164 960 HG2 LYS 116 HG2 LYS 116 4.978 12.301 -3.388 961 HG3 LYS 116 HG3 LYS 116 5.891 11.004 -4.149 962 HD2 LYS 116 HD2 LYS 116 5.107 13.614 -5.503 963 HD3 LYS 116 HD3 LYS 116 6.680 13.293 -4.775 964 HE2 LYS 116 HE2 LYS 116 7.005 12.960 -7.095 965 HE3 LYS 116 HE3 LYS 116 6.861 11.330 -6.441 966 HZ1 LYS 116 HZ1 LYS 116 4.609 11.229 -7.203 967 HZ2 LYS 116 HZ2 LYS 116 5.602 11.664 -8.493 968 HZ3 LYS 116 HZ3 LYS 116 4.657 12.836 -7.730 969 H LYS 117 H LYS 117 1.397 12.076 -3.294 970 HA LYS 117 HA LYS 117 2.479 13.236 -0.948 971 HB2 LYS 117 HB2 LYS 117 -0.428 13.181 -1.884 972 HB3 LYS 117 HB3 LYS 117 0.242 14.290 -0.685 973 HG2 LYS 117 HG2 LYS 117 1.657 15.334 -2.365 974 HG3 LYS 117 HG3 LYS 117 1.147 14.151 -3.578 975 HD2 LYS 117 HD2 LYS 117 -1.186 15.010 -3.414 976 HD3 LYS 117 HD3 LYS 117 -0.659 16.205 -2.224 977 HE2 LYS 117 HE2 LYS 117 0.833 17.211 -3.931 978 HE3 LYS 117 HE3 LYS 117 0.272 16.024 -5.109 979 HZ1 LYS 117 HZ1 LYS 117 -0.854 18.153 -5.341 980 HZ2 LYS 117 HZ2 LYS 117 -1.440 18.041 -3.759 981 HZ3 LYS 117 HZ3 LYS 117 -1.946 16.930 -4.925 982 H LYS 118 H LYS 118 -0.167 10.912 -1.426 983 HA LYS 118 HA LYS 118 -0.913 10.552 1.265 984 HB2 LYS 118 HB2 LYS 118 -1.300 8.685 -1.115 985 HB3 LYS 118 HB3 LYS 118 -2.152 8.543 0.424 986 HG2 LYS 118 HG2 LYS 118 -2.355 10.870 -1.517 987 HG3 LYS 118 HG3 LYS 118 -3.554 9.586 -1.308 988 HD2 LYS 118 HD2 LYS 118 -3.890 10.330 1.063 989 HD3 LYS 118 HD3 LYS 118 -2.726 11.636 0.804 990 HE2 LYS 118 HE2 LYS 118 -4.192 12.644 -0.873 991 HE3 LYS 118 HE3 LYS 118 -5.331 11.302 -0.721 992 HZ1 LYS 118 HZ1 LYS 118 -6.041 13.237 0.546 993 HZ2 LYS 118 HZ2 LYS 118 -4.612 13.200 1.442 994 HZ3 LYS 118 HZ3 LYS 118 -5.722 11.936 1.574 995 H LEU 119 H LEU 119 1.476 8.994 -0.738 996 HA LEU 119 HA LEU 119 1.856 6.631 0.801 997 HB2 LEU 119 HB2 LEU 119 2.364 6.836 -1.626 998 HB3 LEU 119 HB3 LEU 119 3.673 7.944 -1.251 999 HG LEU 119 HG LEU 119 4.919 6.151 -0.107 1000 HD11 LEU 119 HD11 LEU 119 2.588 4.350 -0.808 1001 HD12 LEU 119 HD12 LEU 119 3.043 4.889 0.812 1002 HD13 LEU 119 HD13 LEU 119 4.122 3.842 -0.098 1003 HD21 LEU 119 HD21 LEU 119 5.394 4.714 -2.048 1004 HD22 LEU 119 HD22 LEU 119 5.290 6.413 -2.498 1005 HD23 LEU 119 HD23 LEU 119 3.946 5.323 -2.857 1006 H LYS 120 H LYS 120 3.692 9.662 0.462 1007 HA LYS 120 HA LYS 120 5.658 8.879 2.417 1008 HB2 LYS 120 HB2 LYS 120 5.166 11.574 1.096 1009 HB3 LYS 120 HB3 LYS 120 6.534 11.196 2.150 1010 HG2 LYS 120 HG2 LYS 120 7.052 9.269 0.509 1011 HG3 LYS 120 HG3 LYS 120 5.917 10.055 -0.592 1012 HD2 LYS 120 HD2 LYS 120 8.434 11.318 0.570 1013 HD3 LYS 120 HD3 LYS 120 8.281 10.656 -1.059 1014 HE2 LYS 120 HE2 LYS 120 6.602 12.364 -1.612 1015 HE3 LYS 120 HE3 LYS 120 6.696 13.007 0.033 1016 HZ1 LYS 120 HZ1 LYS 120 8.032 14.293 -1.518 1017 HZ2 LYS 120 HZ2 LYS 120 8.945 12.922 -1.907 1018 HZ3 LYS 120 HZ3 LYS 120 9.004 13.561 -0.344 1019 H GLU 121 H GLU 121 2.669 10.760 2.480 1020 HA GLU 121 HA GLU 121 2.698 11.622 5.160 1021 HB2 GLU 121 HB2 GLU 121 0.440 10.762 3.318 1022 HB3 GLU 121 HB3 GLU 121 0.115 11.276 4.967 1023 HG2 GLU 121 HG2 GLU 121 0.919 13.498 4.515 1024 HG3 GLU 121 HG3 GLU 121 1.532 13.014 2.931 1025 H ALA 122 H ALA 122 1.939 8.452 3.733 1026 HA ALA 122 HA ALA 122 1.127 7.149 6.153 1027 HB1 ALA 122 HB1 ALA 122 0.401 6.357 3.939 1028 HB2 ALA 122 HB2 ALA 122 1.224 5.082 4.840 1029 HB3 ALA 122 HB3 ALA 122 2.067 5.928 3.541 1030 H LEU 123 H LEU 123 4.235 7.637 4.551 1031 HA LEU 123 HA LEU 123 5.767 5.886 6.238 1032 HB2 LEU 123 HB2 LEU 123 6.652 8.265 4.549 1033 HB3 LEU 123 HB3 LEU 123 7.742 7.102 5.297 1034 HG LEU 123 HG LEU 123 5.736 6.526 3.077 1035 HD11 LEU 123 HD11 LEU 123 7.692 7.717 2.265 1036 HD12 LEU 123 HD12 LEU 123 7.692 6.052 1.686 1037 HD13 LEU 123 HD13 LEU 123 8.762 6.525 3.011 1038 HD21 LEU 123 HD21 LEU 123 6.651 4.240 3.039 1039 HD22 LEU 123 HD22 LEU 123 5.850 4.603 4.562 1040 HD23 LEU 123 HD23 LEU 123 7.614 4.600 4.478 1041 H GLU 124 H GLU 124 4.876 9.310 6.327 1042 HA GLU 124 HA GLU 124 6.273 9.995 8.732 1043 HB2 GLU 124 HB2 GLU 124 3.894 11.279 7.320 1044 HB3 GLU 124 HB3 GLU 124 4.726 12.000 8.697 1045 HG2 GLU 124 HG2 GLU 124 6.757 12.282 7.422 1046 HG3 GLU 124 HG3 GLU 124 6.121 11.315 6.091 1047 H LYS 125 H LYS 125 3.229 8.490 7.990 1048 HA LYS 125 HA LYS 125 1.775 8.884 10.394 1049 HB2 LYS 125 HB2 LYS 125 1.000 8.184 8.004 1050 HB3 LYS 125 HB3 LYS 125 1.453 6.552 8.451 1051 HG2 LYS 125 HG2 LYS 125 -0.566 8.156 10.026 1052 HG3 LYS 125 HG3 LYS 125 -1.021 7.252 8.582 1053 HD2 LYS 125 HD2 LYS 125 -0.270 5.152 9.666 1054 HD3 LYS 125 HD3 LYS 125 0.192 6.060 11.112 1055 HE2 LYS 125 HE2 LYS 125 -2.612 5.767 9.979 1056 HE3 LYS 125 HE3 LYS 125 -1.987 5.027 11.456 1057 HZ1 LYS 125 HZ1 LYS 125 -3.302 6.971 11.962 1058 HZ2 LYS 125 HZ2 LYS 125 -2.331 7.945 10.983 1059 HZ3 LYS 125 HZ3 LYS 125 -1.692 7.257 12.382 1060 H SER 126 H SER 126 4.096 6.461 9.309 1061 HA SER 126 HA SER 126 3.933 4.818 11.679 1062 HB2 SER 126 HB2 SER 126 5.939 3.669 10.706 1063 HB3 SER 126 HB3 SER 126 4.592 3.770 9.572 1064 HG SER 126 HG SER 126 5.692 5.118 8.352 1065 H GLY 127 H GLY 127 6.158 7.175 10.319 1066 HA2 GLY 127 HA2 GLY 127 6.953 8.839 12.093 1067 HA3 GLY 127 HA3 GLY 127 7.623 7.422 12.890 1068 H SER 128 H SER 128 7.986 6.648 9.753 1069 HA SER 128 HA SER 128 10.772 7.345 9.618 1070 HB2 SER 128 HB2 SER 128 8.946 6.083 7.518 1071 HB3 SER 128 HB3 SER 128 10.710 6.150 7.436 1072 HG SER 128 HG SER 128 10.431 5.061 9.658 1073 H LEU 129 H LEU 129 10.899 9.566 9.605 1074 HA LEU 129 HA LEU 129 9.561 11.208 7.576 1075 HB2 LEU 129 HB2 LEU 129 11.556 12.016 9.736 1076 HB3 LEU 129 HB3 LEU 129 10.550 13.105 8.792 1077 HG LEU 129 HG LEU 129 9.556 11.116 10.885 1078 HD11 LEU 129 HD11 LEU 129 8.961 13.088 12.209 1079 HD12 LEU 129 HD12 LEU 129 9.709 14.141 11.002 1080 HD13 LEU 129 HD13 LEU 129 10.695 12.992 11.915 1081 HD21 LEU 129 HD21 LEU 129 7.967 13.122 9.255 1082 HD22 LEU 129 HD22 LEU 129 7.348 12.151 10.594 1083 HD23 LEU 129 HD23 LEU 129 7.897 11.362 9.121 1084 H GLU 130 H GLU 130 10.701 12.404 5.966 1085 HA GLU 130 HA GLU 130 13.215 11.380 5.004 1086 HB2 GLU 130 HB2 GLU 130 11.359 12.345 3.546 1087 HB3 GLU 130 HB3 GLU 130 11.789 13.939 4.137 1088 HG2 GLU 130 HG2 GLU 130 13.768 12.160 2.672 1089 HG3 GLU 130 HG3 GLU 130 12.664 13.223 1.817 1090 H HIS 131 H HIS 131 12.140 14.479 6.331 1091 HA HIS 131 HA HIS 131 14.796 15.581 6.454 1092 HB2 HIS 131 HB2 HIS 131 12.122 16.657 7.447 1093 HB3 HIS 131 HB3 HIS 131 13.630 17.568 7.476 1094 HD2 HIS 131 HD2 HIS 131 10.991 16.283 4.881 1095 HE1 HIS 131 HE1 HIS 131 13.601 19.023 2.987 1096 HE2 HIS 131 HE2 HIS 131 11.615 17.486 2.678 1097 H HIS 132 H HIS 132 15.658 16.554 8.412 1098 HA HIS 132 HA HIS 132 16.045 14.743 10.537 1099 HB2 HIS 132 HB2 HIS 132 16.596 17.751 10.461 1100 HB3 HIS 132 HB3 HIS 132 17.234 16.633 11.661 1101 HD2 HIS 132 HD2 HIS 132 17.601 17.214 7.758 1102 HE1 HIS 132 HE1 HIS 132 21.171 15.570 9.313 1103 HE2 HIS 132 HE2 HIS 132 19.979 16.347 7.223 1104 H HIS 133 H HIS 133 14.485 14.205 11.966 1105 HA HIS 133 HA HIS 133 12.229 15.751 12.715 1106 HB2 HIS 133 HB2 HIS 133 12.286 13.294 12.961 1107 HB3 HIS 133 HB3 HIS 133 13.576 13.418 14.152 1108 HD1 HIS 133 HD1 HIS 133 12.628 12.857 16.366 1109 HD2 HIS 133 HD2 HIS 133 9.938 15.080 14.102 1110 HE1 HIS 133 HE1 HIS 133 10.638 13.228 17.848 1111 HE2 HIS 133 HE2 HIS 133 8.966 14.421 16.396 1112 H HIS 134 H HIS 134 15.409 15.277 14.144 1113 HA HIS 134 HA HIS 134 15.205 17.756 15.684 1114 HB2 HIS 134 HB2 HIS 134 14.514 16.071 17.321 1115 HB3 HIS 134 HB3 HIS 134 15.879 15.040 16.915 1116 HD1 HIS 134 HD1 HIS 134 18.108 15.541 18.011 1117 HD2 HIS 134 HD2 HIS 134 15.191 18.362 18.930 1118 HE1 HIS 134 HE1 HIS 134 19.083 16.957 19.835 1119 HE2 HIS 134 HE2 HIS 134 17.315 18.664 20.361 1120 H HIS 135 H HIS 135 16.858 18.861 14.841 1121 HA HIS 135 HA HIS 135 19.414 17.497 14.182 1122 HB2 HIS 135 HB2 HIS 135 18.229 18.392 12.198 1123 HB3 HIS 135 HB3 HIS 135 18.169 19.986 12.931 1124 HD1 HIS 135 HD1 HIS 135 20.045 21.515 12.382 1125 HD2 HIS 135 HD2 HIS 135 21.002 17.557 11.558 1126 HE1 HIS 135 HE1 HIS 135 22.269 21.584 11.221 1127 HE2 HIS 135 HE2 HIS 135 22.848 19.176 10.771 1128 H HIS 136 H HIS 136 20.024 17.768 16.433 1129 HA HIS 136 HA HIS 136 21.939 19.814 16.649 1130 HB2 HIS 136 HB2 HIS 136 19.973 21.240 17.353 1131 HB3 HIS 136 HB3 HIS 136 19.668 20.135 18.693 1132 HD1 HIS 136 HD1 HIS 136 22.330 22.536 17.437 1133 HD2 HIS 136 HD2 HIS 136 21.154 20.688 20.963 1134 HE1 HIS 136 HE1 HIS 136 23.759 23.535 19.233 1135 HE2 HIS 136 HE2 HIS 136 23.153 22.262 21.318 Start of MODEL 9 1 H1 MET 1 H1 MET 1 2.593 -2.985 15.052 2 H2 MET 1 H2 MET 1 2.616 -1.483 15.823 3 H3 MET 1 H3 MET 1 2.740 -2.900 16.730 4 HA MET 1 HA MET 1 4.865 -1.808 16.531 5 HB2 MET 1 HB2 MET 1 4.672 -4.444 15.012 6 HB3 MET 1 HB3 MET 1 6.166 -3.775 15.652 7 HG2 MET 1 HG2 MET 1 5.195 -3.935 17.948 8 HG3 MET 1 HG3 MET 1 3.781 -4.728 17.252 9 HE1 MET 1 HE1 MET 1 7.639 -4.993 17.963 10 HE2 MET 1 HE2 MET 1 7.613 -5.158 16.205 11 HE3 MET 1 HE3 MET 1 8.041 -6.538 17.222 12 H GLY 2 H GLY 2 3.081 -0.945 14.091 13 HA2 GLY 2 HA2 GLY 2 4.694 0.613 12.611 14 HA3 GLY 2 HA3 GLY 2 5.012 -0.963 11.886 15 H VAL 3 H VAL 3 4.150 -0.079 9.910 16 HA VAL 3 HA VAL 3 1.209 -0.237 9.703 17 HB VAL 3 HB VAL 3 2.899 2.143 8.813 18 HG11 VAL 3 HG11 VAL 3 0.092 1.532 7.831 19 HG12 VAL 3 HG12 VAL 3 1.560 1.536 6.851 20 HG13 VAL 3 HG13 VAL 3 0.967 3.042 7.557 21 HG21 VAL 3 HG21 VAL 3 0.312 2.032 10.398 22 HG22 VAL 3 HG22 VAL 3 1.218 3.495 10.002 23 HG23 VAL 3 HG23 VAL 3 1.922 2.282 11.076 24 H VAL 4 H VAL 4 0.582 -1.369 7.921 25 HA VAL 4 HA VAL 4 2.553 -1.868 5.767 26 HB VAL 4 HB VAL 4 -0.039 -3.373 6.351 27 HG11 VAL 4 HG11 VAL 4 0.785 -5.025 4.694 28 HG12 VAL 4 HG12 VAL 4 2.164 -3.983 4.342 29 HG13 VAL 4 HG13 VAL 4 0.531 -3.439 3.957 30 HG21 VAL 4 HG21 VAL 4 1.641 -3.763 8.099 31 HG22 VAL 4 HG22 VAL 4 2.834 -4.200 6.877 32 HG23 VAL 4 HG23 VAL 4 1.411 -5.213 7.118 33 H ILE 5 H ILE 5 2.355 -0.470 4.224 34 HA ILE 5 HA ILE 5 -0.135 0.846 3.469 35 HB ILE 5 HB ILE 5 2.721 1.268 2.459 36 HG12 ILE 5 HG12 ILE 5 1.209 2.932 4.524 37 HG13 ILE 5 HG13 ILE 5 2.459 1.758 4.914 38 HG21 ILE 5 HG21 ILE 5 1.032 2.040 0.854 39 HG22 ILE 5 HG22 ILE 5 1.895 3.407 1.557 40 HG23 ILE 5 HG23 ILE 5 0.266 3.017 2.110 41 HD11 ILE 5 HD11 ILE 5 3.329 4.004 4.984 42 HD12 ILE 5 HD12 ILE 5 2.847 4.287 3.312 43 HD13 ILE 5 HD13 ILE 5 4.098 3.095 3.683 44 H LEU 6 H LEU 6 -1.304 -0.477 2.120 45 HA LEU 6 HA LEU 6 -0.059 -2.022 -0.030 46 HB2 LEU 6 HB2 LEU 6 -2.954 -1.876 0.877 47 HB3 LEU 6 HB3 LEU 6 -2.294 -3.040 -0.260 48 HG LEU 6 HG LEU 6 -1.527 -2.846 2.678 49 HD11 LEU 6 HD11 LEU 6 -3.357 -4.821 1.303 50 HD12 LEU 6 HD12 LEU 6 -3.819 -3.570 2.465 51 HD13 LEU 6 HD13 LEU 6 -2.796 -4.908 2.978 52 HD21 LEU 6 HD21 LEU 6 0.284 -3.729 1.307 53 HD22 LEU 6 HD22 LEU 6 -0.800 -4.929 0.598 54 HD23 LEU 6 HD23 LEU 6 -0.409 -4.991 2.319 55 H VAL 7 H VAL 7 0.399 -0.618 -1.643 56 HA VAL 7 HA VAL 7 -1.481 1.424 -2.510 57 HB VAL 7 HB VAL 7 1.276 0.807 -3.671 58 HG11 VAL 7 HG11 VAL 7 -0.449 3.303 -3.837 59 HG12 VAL 7 HG12 VAL 7 -0.169 2.147 -5.142 60 HG13 VAL 7 HG13 VAL 7 1.167 3.121 -4.525 61 HG21 VAL 7 HG21 VAL 7 1.520 1.318 -1.272 62 HG22 VAL 7 HG22 VAL 7 0.592 2.804 -1.480 63 HG23 VAL 7 HG23 VAL 7 2.167 2.632 -2.260 64 H LEU 8 H LEU 8 -3.107 0.574 -3.679 65 HA LEU 8 HA LEU 8 -2.739 -1.595 -5.588 66 HB2 LEU 8 HB2 LEU 8 -5.157 -0.114 -4.515 67 HB3 LEU 8 HB3 LEU 8 -5.292 -1.149 -5.926 68 HG LEU 8 HG LEU 8 -4.569 -3.109 -4.565 69 HD11 LEU 8 HD11 LEU 8 -4.459 -2.979 -2.120 70 HD12 LEU 8 HD12 LEU 8 -4.616 -1.224 -2.202 71 HD13 LEU 8 HD13 LEU 8 -3.195 -2.015 -2.885 72 HD21 LEU 8 HD21 LEU 8 -6.949 -2.644 -4.862 73 HD22 LEU 8 HD22 LEU 8 -6.950 -1.626 -3.419 74 HD23 LEU 8 HD23 LEU 8 -6.641 -3.359 -3.279 75 H THR 9 H THR 9 -1.808 -0.944 -7.442 76 HA THR 9 HA THR 9 -2.447 1.698 -8.609 77 HB THR 9 HB THR 9 -0.288 1.388 -9.878 78 HG1 THR 9 HG1 THR 9 0.118 -0.850 -8.145 79 HG21 THR 9 HG21 THR 9 1.249 1.782 -7.991 80 HG22 THR 9 HG22 THR 9 0.033 1.180 -6.861 81 HG23 THR 9 HG23 THR 9 -0.256 2.670 -7.763 82 H GLY 10 H GLY 10 -2.783 1.839 -10.872 83 HA2 GLY 10 HA2 GLY 10 -4.181 -0.356 -12.101 84 HA3 GLY 10 HA3 GLY 10 -3.820 1.205 -12.819 85 H ASP 11 H ASP 11 -0.845 0.308 -11.874 86 HA ASP 11 HA ASP 11 -0.071 -1.536 -13.910 87 HB2 ASP 11 HB2 ASP 11 -0.810 0.646 -15.164 88 HB3 ASP 11 HB3 ASP 11 0.656 1.368 -14.519 89 H GLU 12 H GLU 12 2.237 -1.843 -14.045 90 HA GLU 12 HA GLU 12 3.671 -1.578 -11.594 91 HB2 GLU 12 HB2 GLU 12 4.562 -2.527 -14.357 92 HB3 GLU 12 HB3 GLU 12 5.648 -2.496 -12.968 93 HG2 GLU 12 HG2 GLU 12 4.787 -4.737 -13.298 94 HG3 GLU 12 HG3 GLU 12 4.190 -4.068 -11.776 95 H ARG 13 H ARG 13 3.727 0.202 -14.625 96 HA ARG 13 HA ARG 13 6.076 1.677 -14.364 97 HB2 ARG 13 HB2 ARG 13 3.449 2.306 -15.755 98 HB3 ARG 13 HB3 ARG 13 4.820 3.411 -15.834 99 HG2 ARG 13 HG2 ARG 13 6.170 1.796 -16.993 100 HG3 ARG 13 HG3 ARG 13 4.992 0.512 -16.719 101 HD2 ARG 13 HD2 ARG 13 4.303 2.987 -18.333 102 HD3 ARG 13 HD3 ARG 13 5.067 1.579 -19.076 103 HE ARG 13 HE ARG 13 2.911 0.570 -17.739 104 HH11 ARG 13 HH11 ARG 13 3.231 2.994 -20.274 105 HH12 ARG 13 HH12 ARG 13 1.662 2.654 -20.934 106 HH21 ARG 13 HH21 ARG 13 0.885 0.146 -18.624 107 HH22 ARG 13 HH22 ARG 13 0.339 1.051 -20.005 108 H ILE 14 H ILE 14 2.858 2.262 -12.996 109 HA ILE 14 HA ILE 14 3.476 4.768 -11.734 110 HB ILE 14 HB ILE 14 1.307 2.778 -10.897 111 HG12 ILE 14 HG12 ILE 14 1.114 5.009 -12.972 112 HG13 ILE 14 HG13 ILE 14 1.009 3.282 -13.290 113 HG21 ILE 14 HG21 ILE 14 1.780 4.547 -9.238 114 HG22 ILE 14 HG22 ILE 14 0.176 4.751 -9.937 115 HG23 ILE 14 HG23 ILE 14 1.504 5.785 -10.465 116 HD11 ILE 14 HD11 ILE 14 -1.177 4.296 -13.346 117 HD12 ILE 14 HD12 ILE 14 -0.975 4.927 -11.710 118 HD13 ILE 14 HD13 ILE 14 -1.072 3.181 -11.985 119 H ALA 15 H ALA 15 3.249 1.382 -10.668 120 HA ALA 15 HA ALA 15 3.639 1.759 -7.910 121 HB1 ALA 15 HB1 ALA 15 4.112 -0.725 -9.586 122 HB2 ALA 15 HB2 ALA 15 2.570 -0.226 -8.893 123 HB3 ALA 15 HB3 ALA 15 3.901 -0.683 -7.830 124 H GLU 16 H GLU 16 5.950 1.356 -10.509 125 HA GLU 16 HA GLU 16 8.207 0.573 -8.929 126 HB2 GLU 16 HB2 GLU 16 7.885 0.129 -11.428 127 HB3 GLU 16 HB3 GLU 16 8.238 1.830 -11.703 128 HG2 GLU 16 HG2 GLU 16 10.283 0.726 -12.111 129 HG3 GLU 16 HG3 GLU 16 10.466 1.422 -10.500 130 H GLU 17 H GLU 17 6.980 3.635 -10.234 131 HA GLU 17 HA GLU 17 9.211 5.234 -9.395 132 HB2 GLU 17 HB2 GLU 17 6.396 6.101 -10.165 133 HB3 GLU 17 HB3 GLU 17 7.784 7.172 -9.982 134 HG2 GLU 17 HG2 GLU 17 7.367 5.034 -12.082 135 HG3 GLU 17 HG3 GLU 17 7.453 6.775 -12.327 136 H LEU 18 H LEU 18 6.157 4.264 -7.990 137 HA LEU 18 HA LEU 18 6.322 5.908 -5.660 138 HB2 LEU 18 HB2 LEU 18 4.730 3.375 -6.209 139 HB3 LEU 18 HB3 LEU 18 4.529 4.388 -4.785 140 HG LEU 18 HG LEU 18 3.979 5.239 -7.658 141 HD11 LEU 18 HD11 LEU 18 2.290 3.694 -6.800 142 HD12 LEU 18 HD12 LEU 18 1.630 5.314 -7.011 143 HD13 LEU 18 HD13 LEU 18 2.033 4.732 -5.392 144 HD21 LEU 18 HD21 LEU 18 3.099 7.336 -6.707 145 HD22 LEU 18 HD22 LEU 18 4.815 7.141 -6.364 146 HD23 LEU 18 HD23 LEU 18 3.624 6.836 -5.096 147 H ARG 19 H ARG 19 7.632 2.747 -6.551 148 HA ARG 19 HA ARG 19 8.650 1.994 -3.995 149 HB2 ARG 19 HB2 ARG 19 8.463 0.410 -5.882 150 HB3 ARG 19 HB3 ARG 19 9.639 1.321 -6.808 151 HG2 ARG 19 HG2 ARG 19 10.468 0.161 -4.153 152 HG3 ARG 19 HG3 ARG 19 10.305 -0.918 -5.533 153 HD2 ARG 19 HD2 ARG 19 12.137 1.500 -5.356 154 HD3 ARG 19 HD3 ARG 19 12.625 -0.195 -5.274 155 HE ARG 19 HE ARG 19 11.205 0.272 -7.663 156 HH11 ARG 19 HH11 ARG 19 14.364 1.010 -6.271 157 HH12 ARG 19 HH12 ARG 19 15.137 1.111 -7.822 158 HH21 ARG 19 HH21 ARG 19 12.253 0.381 -9.648 159 HH22 ARG 19 HH22 ARG 19 13.944 0.758 -9.729 160 H LYS 20 H LYS 20 9.967 3.865 -6.695 161 HA LYS 20 HA LYS 20 12.519 4.442 -5.574 162 HB2 LYS 20 HB2 LYS 20 10.935 5.733 -7.825 163 HB3 LYS 20 HB3 LYS 20 12.599 6.170 -7.438 164 HG2 LYS 20 HG2 LYS 20 13.415 4.001 -8.054 165 HG3 LYS 20 HG3 LYS 20 11.783 3.336 -8.136 166 HD2 LYS 20 HD2 LYS 20 12.760 3.694 -10.378 167 HD3 LYS 20 HD3 LYS 20 11.297 4.642 -10.134 168 HE2 LYS 20 HE2 LYS 20 14.040 5.863 -9.728 169 HE3 LYS 20 HE3 LYS 20 13.306 5.759 -11.326 170 HZ1 LYS 20 HZ1 LYS 20 12.842 7.887 -10.383 171 HZ2 LYS 20 HZ2 LYS 20 12.200 7.210 -8.979 172 HZ3 LYS 20 HZ3 LYS 20 11.395 7.018 -10.451 173 H GLU 21 H GLU 21 9.392 6.073 -5.472 174 HA GLU 21 HA GLU 21 9.877 8.516 -4.322 175 HB2 GLU 21 HB2 GLU 21 7.639 7.574 -5.013 176 HB3 GLU 21 HB3 GLU 21 7.673 6.526 -3.595 177 HG2 GLU 21 HG2 GLU 21 6.256 8.302 -2.986 178 HG3 GLU 21 HG3 GLU 21 7.795 8.712 -2.215 179 H VAL 22 H VAL 22 9.402 5.403 -2.733 180 HA VAL 22 HA VAL 22 9.620 6.224 -0.059 181 HB VAL 22 HB VAL 22 10.172 3.466 -1.251 182 HG11 VAL 22 HG11 VAL 22 9.480 4.228 1.614 183 HG12 VAL 22 HG12 VAL 22 11.038 3.624 1.047 184 HG13 VAL 22 HG13 VAL 22 9.617 2.580 0.995 185 HG21 VAL 22 HG21 VAL 22 7.819 2.954 -0.747 186 HG22 VAL 22 HG22 VAL 22 7.932 4.328 -1.849 187 HG23 VAL 22 HG23 VAL 22 7.575 4.596 -0.142 188 H GLN 23 H GLN 23 12.036 5.002 -2.360 189 HA GLN 23 HA GLN 23 14.266 4.772 -0.686 190 HB2 GLN 23 HB2 GLN 23 14.202 5.611 -3.617 191 HB3 GLN 23 HB3 GLN 23 15.631 5.040 -2.760 192 HG2 GLN 23 HG2 GLN 23 14.549 2.848 -2.422 193 HG3 GLN 23 HG3 GLN 23 13.123 3.410 -3.288 194 HE21 GLN 23 HE21 GLN 23 14.730 4.860 -5.324 195 HE22 GLN 23 HE22 GLN 23 15.398 3.633 -6.335 196 H LYS 24 H LYS 24 12.789 7.623 -2.119 197 HA LYS 24 HA LYS 24 14.939 9.436 -1.387 198 HB2 LYS 24 HB2 LYS 24 12.165 9.981 -2.522 199 HB3 LYS 24 HB3 LYS 24 13.404 11.210 -2.265 200 HG2 LYS 24 HG2 LYS 24 14.902 9.882 -3.816 201 HG3 LYS 24 HG3 LYS 24 13.498 8.881 -4.201 202 HD2 LYS 24 HD2 LYS 24 12.315 10.820 -5.111 203 HD3 LYS 24 HD3 LYS 24 13.610 11.902 -4.587 204 HE2 LYS 24 HE2 LYS 24 15.169 10.686 -6.126 205 HE3 LYS 24 HE3 LYS 24 13.796 9.746 -6.713 206 HZ1 LYS 24 HZ1 LYS 24 12.766 11.792 -7.464 207 HZ2 LYS 24 HZ2 LYS 24 14.292 11.611 -8.159 208 HZ3 LYS 24 HZ3 LYS 24 14.068 12.698 -6.889 209 H HIS 25 H HIS 25 11.669 8.634 -0.142 210 HA HIS 25 HA HIS 25 11.680 10.830 1.750 211 HB2 HIS 25 HB2 HIS 25 9.561 9.860 0.715 212 HB3 HIS 25 HB3 HIS 25 9.773 8.445 1.741 213 HD2 HIS 25 HD2 HIS 25 9.315 8.916 4.534 214 HE1 HIS 25 HE1 HIS 25 7.574 12.717 3.907 215 HE2 HIS 25 HE2 HIS 25 8.139 10.951 5.615 216 H ASP 26 H ASP 26 11.739 7.258 2.129 217 HA ASP 26 HA ASP 26 13.692 7.457 4.282 218 HB2 ASP 26 HB2 ASP 26 11.453 7.625 5.425 219 HB3 ASP 26 HB3 ASP 26 11.018 6.057 4.757 220 HA PRO 27 HA PRO 27 14.671 3.921 1.612 221 HB2 PRO 27 HB2 PRO 27 17.305 3.728 2.133 222 HB3 PRO 27 HB3 PRO 27 16.650 5.169 1.327 223 HG2 PRO 27 HG2 PRO 27 17.433 4.824 4.205 224 HG3 PRO 27 HG3 PRO 27 17.737 6.193 3.111 225 HD2 PRO 27 HD2 PRO 27 15.640 6.081 4.956 226 HD3 PRO 27 HD3 PRO 27 15.677 7.139 3.530 227 H ASN 28 H ASN 28 14.417 3.827 4.968 228 HA ASN 28 HA ASN 28 15.509 1.132 5.369 229 HB2 ASN 28 HB2 ASN 28 14.053 2.835 7.433 230 HB3 ASN 28 HB3 ASN 28 15.150 1.487 7.722 231 HD21 ASN 28 HD21 ASN 28 14.891 4.866 6.972 232 HD22 ASN 28 HD22 ASN 28 16.571 5.244 7.148 233 H VAL 29 H VAL 29 12.511 2.733 4.763 234 HA VAL 29 HA VAL 29 10.667 0.750 5.626 235 HB VAL 29 HB VAL 29 10.413 2.827 3.399 236 HG11 VAL 29 HG11 VAL 29 8.747 1.055 3.042 237 HG12 VAL 29 HG12 VAL 29 7.952 2.533 3.589 238 HG13 VAL 29 HG13 VAL 29 8.208 1.199 4.716 239 HG21 VAL 29 HG21 VAL 29 10.800 3.827 5.609 240 HG22 VAL 29 HG22 VAL 29 9.440 2.919 6.270 241 HG23 VAL 29 HG23 VAL 29 9.159 4.163 5.049 242 H LYS 30 H LYS 30 10.104 -1.158 4.711 243 HA LYS 30 HA LYS 30 11.559 -2.284 2.507 244 HB2 LYS 30 HB2 LYS 30 9.248 -3.262 4.226 245 HB3 LYS 30 HB3 LYS 30 9.890 -4.235 2.908 246 HG2 LYS 30 HG2 LYS 30 11.573 -3.224 5.226 247 HG3 LYS 30 HG3 LYS 30 10.786 -4.805 5.201 248 HD2 LYS 30 HD2 LYS 30 12.757 -3.882 3.072 249 HD3 LYS 30 HD3 LYS 30 13.220 -4.810 4.490 250 HE2 LYS 30 HE2 LYS 30 11.881 -6.700 3.798 251 HE3 LYS 30 HE3 LYS 30 11.134 -5.763 2.501 252 HZ1 LYS 30 HZ1 LYS 30 12.822 -7.241 1.652 253 HZ2 LYS 30 HZ2 LYS 30 13.994 -6.537 2.649 254 HZ3 LYS 30 HZ3 LYS 30 13.287 -5.631 1.413 255 H THR 31 H THR 31 10.857 -2.719 0.428 256 HA THR 31 HA THR 31 8.191 -1.700 -0.417 257 HB THR 31 HB THR 31 9.268 -0.998 -2.604 258 HG1 THR 31 HG1 THR 31 11.758 -0.966 -1.265 259 HG21 THR 31 HG21 THR 31 8.721 0.684 -0.868 260 HG22 THR 31 HG22 THR 31 10.168 1.130 -1.780 261 HG23 THR 31 HG23 THR 31 10.319 0.457 -0.154 262 H VAL 32 H VAL 32 7.004 -3.246 -1.358 263 HA VAL 32 HA VAL 32 8.353 -5.605 -2.573 264 HB VAL 32 HB VAL 32 5.511 -5.738 -1.497 265 HG11 VAL 32 HG11 VAL 32 6.039 -8.140 -1.288 266 HG12 VAL 32 HG12 VAL 32 7.682 -7.839 -1.847 267 HG13 VAL 32 HG13 VAL 32 6.316 -7.564 -2.932 268 HG21 VAL 32 HG21 VAL 32 6.813 -4.887 0.398 269 HG22 VAL 32 HG22 VAL 32 7.980 -6.196 0.208 270 HG23 VAL 32 HG23 VAL 32 6.317 -6.558 0.676 271 HA PRO 33 HA PRO 33 6.013 -3.879 -6.125 272 HB2 PRO 33 HB2 PRO 33 7.166 -5.434 -8.082 273 HB3 PRO 33 HB3 PRO 33 7.958 -4.007 -7.385 274 HG2 PRO 33 HG2 PRO 33 8.400 -6.900 -6.747 275 HG3 PRO 33 HG3 PRO 33 9.591 -5.595 -6.946 276 HD2 PRO 33 HD2 PRO 33 8.761 -6.478 -4.493 277 HD3 PRO 33 HD3 PRO 33 9.295 -4.808 -4.788 278 H THR 34 H THR 34 4.716 -4.873 -7.936 279 HA THR 34 HA THR 34 2.676 -6.521 -6.897 280 HB THR 34 HB THR 34 1.720 -6.460 -9.204 281 HG1 THR 34 HG1 THR 34 2.924 -5.460 -10.857 282 HG21 THR 34 HG21 THR 34 1.522 -3.993 -9.465 283 HG22 THR 34 HG22 THR 34 2.836 -3.767 -8.307 284 HG23 THR 34 HG23 THR 34 1.308 -4.487 -7.787 285 H LYS 35 H LYS 35 5.421 -7.178 -8.982 286 HA LYS 35 HA LYS 35 4.771 -9.787 -9.855 287 HB2 LYS 35 HB2 LYS 35 7.180 -9.935 -10.500 288 HB3 LYS 35 HB3 LYS 35 6.417 -8.446 -11.045 289 HG2 LYS 35 HG2 LYS 35 7.464 -7.202 -9.200 290 HG3 LYS 35 HG3 LYS 35 8.203 -8.692 -8.606 291 HD2 LYS 35 HD2 LYS 35 9.455 -8.886 -10.780 292 HD3 LYS 35 HD3 LYS 35 8.781 -7.330 -11.275 293 HE2 LYS 35 HE2 LYS 35 9.893 -6.261 -9.322 294 HE3 LYS 35 HE3 LYS 35 10.596 -7.819 -8.884 295 HZ1 LYS 35 HZ1 LYS 35 11.760 -7.832 -11.016 296 HZ2 LYS 35 HZ2 LYS 35 12.170 -6.467 -10.106 297 HZ3 LYS 35 HZ3 LYS 35 11.098 -6.327 -11.406 298 H ASP 36 H ASP 36 6.136 -8.609 -6.882 299 HA ASP 36 HA ASP 36 6.839 -11.304 -5.904 300 HB2 ASP 36 HB2 ASP 36 7.340 -8.476 -4.880 301 HB3 ASP 36 HB3 ASP 36 7.578 -9.874 -3.839 302 H LYS 37 H LYS 37 4.274 -11.298 -6.393 303 HA LYS 37 HA LYS 37 2.481 -9.975 -4.684 304 HB2 LYS 37 HB2 LYS 37 1.892 -10.878 -6.936 305 HB3 LYS 37 HB3 LYS 37 2.032 -12.513 -6.312 306 HG2 LYS 37 HG2 LYS 37 -0.260 -12.242 -6.259 307 HG3 LYS 37 HG3 LYS 37 0.138 -11.729 -4.623 308 HD2 LYS 37 HD2 LYS 37 -0.364 -9.873 -6.988 309 HD3 LYS 37 HD3 LYS 37 -1.536 -10.261 -5.734 310 HE2 LYS 37 HE2 LYS 37 1.059 -8.723 -5.378 311 HE3 LYS 37 HE3 LYS 37 -0.580 -8.081 -5.289 312 HZ1 LYS 37 HZ1 LYS 37 -0.969 -9.505 -3.361 313 HZ2 LYS 37 HZ2 LYS 37 0.298 -8.418 -3.097 314 HZ3 LYS 37 HZ3 LYS 37 0.632 -10.042 -3.423 315 H GLU 38 H GLU 38 3.691 -13.337 -4.530 316 HA GLU 38 HA GLU 38 2.242 -14.028 -2.127 317 HB2 GLU 38 HB2 GLU 38 4.727 -15.498 -3.138 318 HB3 GLU 38 HB3 GLU 38 3.405 -16.128 -2.166 319 HG2 GLU 38 HG2 GLU 38 2.949 -17.094 -4.214 320 HG3 GLU 38 HG3 GLU 38 1.940 -15.652 -4.291 321 H LYS 39 H LYS 39 5.384 -12.905 -3.018 322 HA LYS 39 HA LYS 39 6.912 -13.416 -0.737 323 HB2 LYS 39 HB2 LYS 39 7.383 -12.609 -3.295 324 HB3 LYS 39 HB3 LYS 39 7.563 -11.066 -2.493 325 HG2 LYS 39 HG2 LYS 39 9.123 -13.534 -1.725 326 HG3 LYS 39 HG3 LYS 39 9.663 -12.384 -2.948 327 HD2 LYS 39 HD2 LYS 39 9.344 -10.613 -0.996 328 HD3 LYS 39 HD3 LYS 39 9.467 -12.034 0.047 329 HE2 LYS 39 HE2 LYS 39 11.659 -10.978 -0.223 330 HE3 LYS 39 HE3 LYS 39 11.671 -12.566 -0.999 331 HZ1 LYS 39 HZ1 LYS 39 11.293 -9.961 -2.389 332 HZ2 LYS 39 HZ2 LYS 39 11.322 -11.477 -3.136 333 HZ3 LYS 39 HZ3 LYS 39 12.713 -10.880 -2.387 334 H VAL 40 H VAL 40 4.598 -10.925 -1.393 335 HA VAL 40 HA VAL 40 5.242 -8.764 0.181 336 HB VAL 40 HB VAL 40 2.473 -10.016 -0.202 337 HG11 VAL 40 HG11 VAL 40 3.181 -7.221 0.762 338 HG12 VAL 40 HG12 VAL 40 2.426 -8.497 1.719 339 HG13 VAL 40 HG13 VAL 40 1.554 -7.781 0.365 340 HG21 VAL 40 HG21 VAL 40 3.542 -9.387 -2.341 341 HG22 VAL 40 HG22 VAL 40 3.788 -7.744 -1.747 342 HG23 VAL 40 HG23 VAL 40 2.150 -8.354 -2.000 343 H LYS 41 H LYS 41 3.654 -11.779 1.162 344 HA LYS 41 HA LYS 41 2.885 -11.102 3.753 345 HB2 LYS 41 HB2 LYS 41 2.163 -13.053 2.200 346 HB3 LYS 41 HB3 LYS 41 3.580 -13.897 2.788 347 HG2 LYS 41 HG2 LYS 41 2.049 -12.952 5.064 348 HG3 LYS 41 HG3 LYS 41 0.973 -13.786 3.949 349 HD2 LYS 41 HD2 LYS 41 1.725 -15.475 5.419 350 HD3 LYS 41 HD3 LYS 41 2.696 -15.712 3.971 351 HE2 LYS 41 HE2 LYS 41 4.540 -14.417 5.078 352 HE3 LYS 41 HE3 LYS 41 3.560 -14.353 6.544 353 HZ1 LYS 41 HZ1 LYS 41 4.664 -16.768 5.230 354 HZ2 LYS 41 HZ2 LYS 41 3.551 -16.817 6.500 355 HZ3 LYS 41 HZ3 LYS 41 5.075 -16.139 6.744 356 H GLU 42 H GLU 42 5.864 -12.519 2.482 357 HA GLU 42 HA GLU 42 7.089 -13.226 4.945 358 HB2 GLU 42 HB2 GLU 42 8.493 -12.518 2.333 359 HB3 GLU 42 HB3 GLU 42 9.130 -13.519 3.633 360 HG2 GLU 42 HG2 GLU 42 6.823 -14.214 1.791 361 HG3 GLU 42 HG3 GLU 42 8.455 -14.871 1.707 362 H GLU 43 H GLU 43 7.233 -10.350 2.865 363 HA GLU 43 HA GLU 43 9.355 -9.025 4.221 364 HB2 GLU 43 HB2 GLU 43 7.246 -7.797 2.406 365 HB3 GLU 43 HB3 GLU 43 8.814 -7.101 2.799 366 HG2 GLU 43 HG2 GLU 43 8.421 -9.690 1.276 367 HG3 GLU 43 HG3 GLU 43 8.658 -8.121 0.518 368 H ILE 44 H ILE 44 5.845 -8.963 4.600 369 HA ILE 44 HA ILE 44 5.547 -6.659 6.218 370 HB ILE 44 HB ILE 44 3.877 -9.212 6.112 371 HG12 ILE 44 HG12 ILE 44 3.417 -6.482 4.824 372 HG13 ILE 44 HG13 ILE 44 3.940 -7.940 3.987 373 HG21 ILE 44 HG21 ILE 44 2.053 -7.956 7.227 374 HG22 ILE 44 HG22 ILE 44 3.138 -6.585 7.450 375 HG23 ILE 44 HG23 ILE 44 3.468 -8.109 8.271 376 HD11 ILE 44 HD11 ILE 44 1.277 -7.519 5.332 377 HD12 ILE 44 HD12 ILE 44 1.809 -9.016 4.558 378 HD13 ILE 44 HD13 ILE 44 1.609 -7.550 3.601 379 H GLU 45 H GLU 45 6.229 -10.041 6.983 380 HA GLU 45 HA GLU 45 6.175 -9.915 9.803 381 HB2 GLU 45 HB2 GLU 45 6.068 -12.017 8.482 382 HB3 GLU 45 HB3 GLU 45 7.740 -11.788 7.981 383 HG2 GLU 45 HG2 GLU 45 8.446 -11.966 10.359 384 HG3 GLU 45 HG3 GLU 45 6.768 -12.255 10.815 385 H LYS 46 H LYS 46 8.709 -9.317 7.416 386 HA LYS 46 HA LYS 46 10.912 -8.978 9.202 387 HB2 LYS 46 HB2 LYS 46 10.556 -7.814 6.404 388 HB3 LYS 46 HB3 LYS 46 12.081 -7.990 7.272 389 HG2 LYS 46 HG2 LYS 46 11.828 -10.456 7.208 390 HG3 LYS 46 HG3 LYS 46 10.307 -10.265 6.331 391 HD2 LYS 46 HD2 LYS 46 12.030 -10.805 4.731 392 HD3 LYS 46 HD3 LYS 46 11.573 -9.119 4.490 393 HE2 LYS 46 HE2 LYS 46 13.999 -9.389 4.342 394 HE3 LYS 46 HE3 LYS 46 13.588 -8.414 5.753 395 HZ1 LYS 46 HZ1 LYS 46 13.903 -10.347 7.150 396 HZ2 LYS 46 HZ2 LYS 46 15.291 -10.089 6.223 397 HZ3 LYS 46 HZ3 LYS 46 14.215 -11.322 5.805 398 H ALA 47 H ALA 47 8.554 -6.771 7.749 399 HA ALA 47 HA ALA 47 9.673 -4.305 8.588 400 HB1 ALA 47 HB1 ALA 47 7.486 -3.354 7.985 401 HB2 ALA 47 HB2 ALA 47 6.796 -4.979 7.891 402 HB3 ALA 47 HB3 ALA 47 8.049 -4.484 6.752 403 H ARG 48 H ARG 48 7.291 -6.506 10.032 404 HA ARG 48 HA ARG 48 6.588 -4.992 12.302 405 HB2 ARG 48 HB2 ARG 48 5.274 -6.968 11.685 406 HB3 ARG 48 HB3 ARG 48 6.676 -8.019 11.897 407 HG2 ARG 48 HG2 ARG 48 6.700 -7.421 14.329 408 HG3 ARG 48 HG3 ARG 48 5.228 -6.484 14.083 409 HD2 ARG 48 HD2 ARG 48 3.968 -8.469 13.569 410 HD3 ARG 48 HD3 ARG 48 5.437 -9.451 13.503 411 HE ARG 48 HE ARG 48 5.672 -8.721 15.964 412 HH11 ARG 48 HH11 ARG 48 2.589 -9.415 14.448 413 HH12 ARG 48 HH12 ARG 48 1.831 -9.897 15.929 414 HH21 ARG 48 HH21 ARG 48 4.668 -9.334 17.898 415 HH22 ARG 48 HH22 ARG 48 3.012 -9.848 17.885 416 H LYS 49 H LYS 49 9.199 -7.322 11.693 417 HA LYS 49 HA LYS 49 10.278 -7.456 14.298 418 HB2 LYS 49 HB2 LYS 49 10.676 -8.966 12.161 419 HB3 LYS 49 HB3 LYS 49 11.988 -7.855 11.818 420 HG2 LYS 49 HG2 LYS 49 11.715 -9.471 14.377 421 HG3 LYS 49 HG3 LYS 49 12.674 -9.974 12.987 422 HD2 LYS 49 HD2 LYS 49 14.181 -8.069 13.292 423 HD3 LYS 49 HD3 LYS 49 13.166 -7.431 14.586 424 HE2 LYS 49 HE2 LYS 49 14.703 -10.051 14.673 425 HE3 LYS 49 HE3 LYS 49 15.153 -8.554 15.493 426 HZ1 LYS 49 HZ1 LYS 49 14.056 -10.028 17.016 427 HZ2 LYS 49 HZ2 LYS 49 12.714 -10.171 16.008 428 HZ3 LYS 49 HZ3 LYS 49 13.060 -8.691 16.745 429 H GLN 50 H GLN 50 10.907 -5.299 11.553 430 HA GLN 50 HA GLN 50 13.135 -3.913 12.772 431 HB2 GLN 50 HB2 GLN 50 11.427 -3.240 10.322 432 HB3 GLN 50 HB3 GLN 50 12.856 -2.334 10.805 433 HG2 GLN 50 HG2 GLN 50 12.819 -5.248 9.963 434 HG3 GLN 50 HG3 GLN 50 13.326 -3.893 8.961 435 HE21 GLN 50 HE21 GLN 50 14.188 -5.963 11.625 436 HE22 GLN 50 HE22 GLN 50 15.844 -5.482 11.729 437 H GLY 51 H GLY 51 9.715 -3.744 12.995 438 HA2 GLY 51 HA2 GLY 51 8.290 -2.407 14.162 439 HA3 GLY 51 HA3 GLY 51 9.685 -1.643 14.912 440 H ARG 52 H ARG 52 8.971 -1.781 11.447 441 HA ARG 52 HA ARG 52 8.662 1.164 11.357 442 HB2 ARG 52 HB2 ARG 52 10.367 -0.441 9.396 443 HB3 ARG 52 HB3 ARG 52 10.186 1.308 9.467 444 HG2 ARG 52 HG2 ARG 52 11.240 1.093 11.848 445 HG3 ARG 52 HG3 ARG 52 11.737 -0.509 11.311 446 HD2 ARG 52 HD2 ARG 52 13.605 0.819 10.821 447 HD3 ARG 52 HD3 ARG 52 12.779 0.741 9.263 448 HE ARG 52 HE ARG 52 12.935 3.045 11.082 449 HH11 ARG 52 HH11 ARG 52 11.787 1.814 7.983 450 HH12 ARG 52 HH12 ARG 52 11.492 3.400 7.347 451 HH21 ARG 52 HH21 ARG 52 12.549 5.077 10.229 452 HH22 ARG 52 HH22 ARG 52 11.924 5.248 8.619 453 HA PRO 53 HA PRO 53 5.429 0.398 8.239 454 HB2 PRO 53 HB2 PRO 53 6.037 2.349 6.320 455 HB3 PRO 53 HB3 PRO 53 5.134 2.658 7.816 456 HG2 PRO 53 HG2 PRO 53 8.052 3.091 7.269 457 HG3 PRO 53 HG3 PRO 53 6.896 4.152 8.108 458 HD2 PRO 53 HD2 PRO 53 8.618 2.651 9.505 459 HD3 PRO 53 HD3 PRO 53 6.949 2.876 10.080 460 H ILE 54 H ILE 54 5.093 -0.355 6.110 461 HA ILE 54 HA ILE 54 7.377 -0.968 4.371 462 HB ILE 54 HB ILE 54 7.119 -3.075 5.506 463 HG12 ILE 54 HG12 ILE 54 5.637 -3.240 2.843 464 HG13 ILE 54 HG13 ILE 54 7.380 -3.308 3.068 465 HG21 ILE 54 HG21 ILE 54 4.933 -2.687 6.562 466 HG22 ILE 54 HG22 ILE 54 5.005 -4.278 5.803 467 HG23 ILE 54 HG23 ILE 54 4.132 -2.964 5.012 468 HD11 ILE 54 HD11 ILE 54 6.506 -5.495 2.644 469 HD12 ILE 54 HD12 ILE 54 5.371 -5.357 3.984 470 HD13 ILE 54 HD13 ILE 54 7.109 -5.421 4.296 471 H VAL 55 H VAL 55 6.880 -0.345 2.353 472 HA VAL 55 HA VAL 55 4.102 0.132 1.558 473 HB VAL 55 HB VAL 55 6.700 0.871 0.141 474 HG11 VAL 55 HG11 VAL 55 3.843 1.709 -0.474 475 HG12 VAL 55 HG12 VAL 55 4.828 0.611 -1.444 476 HG13 VAL 55 HG13 VAL 55 5.290 2.308 -1.287 477 HG21 VAL 55 HG21 VAL 55 6.444 2.085 2.265 478 HG22 VAL 55 HG22 VAL 55 4.816 2.587 1.802 479 HG23 VAL 55 HG23 VAL 55 6.211 3.181 0.900 480 H VAL 56 H VAL 56 3.131 -1.058 0.055 481 HA VAL 56 HA VAL 56 4.454 -3.382 -1.184 482 HB VAL 56 HB VAL 56 1.716 -3.337 0.210 483 HG11 VAL 56 HG11 VAL 56 3.049 -5.620 -1.301 484 HG12 VAL 56 HG12 VAL 56 1.629 -4.713 -1.830 485 HG13 VAL 56 HG13 VAL 56 1.541 -5.729 -0.389 486 HG21 VAL 56 HG21 VAL 56 3.590 -3.509 1.815 487 HG22 VAL 56 HG22 VAL 56 4.236 -4.896 0.935 488 HG23 VAL 56 HG23 VAL 56 2.675 -5.019 1.751 489 H PHE 57 H PHE 57 3.712 -3.802 -3.253 490 HA PHE 57 HA PHE 57 1.794 -1.906 -4.440 491 HB2 PHE 57 HB2 PHE 57 4.195 -3.236 -5.770 492 HB3 PHE 57 HB3 PHE 57 3.078 -2.102 -6.539 493 HD1 PHE 57 HD1 PHE 57 2.766 0.203 -5.281 494 HD2 PHE 57 HD2 PHE 57 6.178 -2.339 -4.807 495 HE1 PHE 57 HE1 PHE 57 4.055 2.086 -4.382 496 HE2 PHE 57 HE2 PHE 57 7.458 -0.444 -3.919 497 HZ PHE 57 HZ PHE 57 6.395 1.765 -3.702 498 H VAL 58 H VAL 58 0.013 -2.853 -4.831 499 HA VAL 58 HA VAL 58 -0.167 -5.590 -5.955 500 HB VAL 58 HB VAL 58 -2.192 -4.198 -4.103 501 HG11 VAL 58 HG11 VAL 58 -3.281 -5.720 -5.701 502 HG12 VAL 58 HG12 VAL 58 -3.388 -6.352 -4.057 503 HG13 VAL 58 HG13 VAL 58 -2.220 -7.033 -5.192 504 HG21 VAL 58 HG21 VAL 58 -0.205 -4.856 -2.825 505 HG22 VAL 58 HG22 VAL 58 -0.308 -6.496 -3.464 506 HG23 VAL 58 HG23 VAL 58 -1.573 -5.889 -2.390 507 H ARG 59 H ARG 59 -1.757 -5.690 -7.744 508 HA ARG 59 HA ARG 59 -2.378 -3.173 -9.020 509 HB2 ARG 59 HB2 ARG 59 -3.207 -6.032 -9.643 510 HB3 ARG 59 HB3 ARG 59 -3.812 -4.661 -10.570 511 HG2 ARG 59 HG2 ARG 59 -1.449 -4.065 -11.149 512 HG3 ARG 59 HG3 ARG 59 -0.911 -5.529 -10.320 513 HD2 ARG 59 HD2 ARG 59 -2.134 -6.932 -11.900 514 HD3 ARG 59 HD3 ARG 59 -2.859 -5.508 -12.659 515 HE ARG 59 HE ARG 59 0.011 -5.487 -12.706 516 HH11 ARG 59 HH11 ARG 59 -2.817 -6.665 -14.441 517 HH12 ARG 59 HH12 ARG 59 -1.979 -6.812 -15.950 518 HH21 ARG 59 HH21 ARG 59 1.079 -5.681 -14.699 519 HH22 ARG 59 HH22 ARG 59 0.221 -6.256 -16.093 520 H GLY 60 H GLY 60 -4.468 -2.303 -9.423 521 HA2 GLY 60 HA2 GLY 60 -6.243 -2.164 -7.229 522 HA3 GLY 60 HA3 GLY 60 -6.564 -1.551 -8.842 523 H GLY 61 H GLY 61 -6.267 -4.127 -10.148 524 HA2 GLY 61 HA2 GLY 61 -8.901 -5.258 -9.756 525 HA3 GLY 61 HA3 GLY 61 -7.704 -5.753 -10.936 526 H ASP 62 H ASP 62 -5.948 -5.814 -8.244 527 HA ASP 62 HA ASP 62 -6.665 -8.583 -7.445 528 HB2 ASP 62 HB2 ASP 62 -4.018 -7.062 -7.407 529 HB3 ASP 62 HB3 ASP 62 -4.251 -8.524 -6.456 530 H ASP 63 H ASP 63 -8.148 -6.389 -6.474 531 HA ASP 63 HA ASP 63 -7.271 -5.487 -3.910 532 HB2 ASP 63 HB2 ASP 63 -9.448 -4.503 -3.671 533 HB3 ASP 63 HB3 ASP 63 -8.998 -4.339 -5.363 534 H GLU 64 H GLU 64 -8.817 -8.389 -5.033 535 HA GLU 64 HA GLU 64 -9.741 -9.383 -2.508 536 HB2 GLU 64 HB2 GLU 64 -9.115 -10.843 -5.101 537 HB3 GLU 64 HB3 GLU 64 -9.828 -11.621 -3.687 538 HG2 GLU 64 HG2 GLU 64 -11.784 -10.135 -3.843 539 HG3 GLU 64 HG3 GLU 64 -11.074 -9.329 -5.242 540 H ARG 65 H ARG 65 -6.656 -9.423 -4.181 541 HA ARG 65 HA ARG 65 -5.335 -11.189 -2.319 542 HB2 ARG 65 HB2 ARG 65 -4.192 -9.101 -4.237 543 HB3 ARG 65 HB3 ARG 65 -3.224 -10.253 -3.329 544 HG2 ARG 65 HG2 ARG 65 -5.260 -10.949 -5.463 545 HG3 ARG 65 HG3 ARG 65 -3.512 -10.920 -5.677 546 HD2 ARG 65 HD2 ARG 65 -4.117 -13.211 -5.410 547 HD3 ARG 65 HD3 ARG 65 -3.380 -12.738 -3.884 548 HE ARG 65 HE ARG 65 -5.388 -13.095 -2.826 549 HH11 ARG 65 HH11 ARG 65 -5.996 -13.160 -6.312 550 HH12 ARG 65 HH12 ARG 65 -7.626 -13.722 -6.123 551 HH21 ARG 65 HH21 ARG 65 -7.535 -13.751 -2.622 552 HH22 ARG 65 HH22 ARG 65 -8.492 -14.055 -4.038 553 H ALA 66 H ALA 66 -5.670 -7.695 -2.754 554 HA ALA 66 HA ALA 66 -3.909 -6.747 -0.826 555 HB1 ALA 66 HB1 ALA 66 -6.472 -5.446 -1.801 556 HB2 ALA 66 HB2 ALA 66 -4.898 -5.355 -2.593 557 HB3 ALA 66 HB3 ALA 66 -5.123 -4.623 -1.005 558 H LYS 67 H LYS 67 -7.360 -7.612 -0.453 559 HA LYS 67 HA LYS 67 -7.626 -6.585 2.197 560 HB2 LYS 67 HB2 LYS 67 -9.777 -7.811 2.274 561 HB3 LYS 67 HB3 LYS 67 -9.604 -6.850 0.812 562 HG2 LYS 67 HG2 LYS 67 -9.142 -8.839 -0.510 563 HG3 LYS 67 HG3 LYS 67 -9.132 -9.847 0.941 564 HD2 LYS 67 HD2 LYS 67 -11.515 -9.409 1.311 565 HD3 LYS 67 HD3 LYS 67 -11.555 -8.283 -0.048 566 HE2 LYS 67 HE2 LYS 67 -12.535 -10.471 -0.640 567 HE3 LYS 67 HE3 LYS 67 -11.107 -10.120 -1.609 568 HZ1 LYS 67 HZ1 LYS 67 -9.819 -11.584 -0.193 569 HZ2 LYS 67 HZ2 LYS 67 -11.145 -12.407 -0.838 570 HZ3 LYS 67 HZ3 LYS 67 -11.176 -11.897 0.768 571 H ASP 68 H ASP 68 -6.667 -9.729 0.932 572 HA ASP 68 HA ASP 68 -6.742 -11.158 3.426 573 HB2 ASP 68 HB2 ASP 68 -5.561 -11.736 0.689 574 HB3 ASP 68 HB3 ASP 68 -5.249 -12.819 2.039 575 H ILE 69 H ILE 69 -4.254 -9.516 1.544 576 HA ILE 69 HA ILE 69 -1.998 -10.028 3.171 577 HB ILE 69 HB ILE 69 -2.632 -7.629 1.388 578 HG12 ILE 69 HG12 ILE 69 -0.914 -10.077 0.773 579 HG13 ILE 69 HG13 ILE 69 -2.560 -9.839 0.200 580 HG21 ILE 69 HG21 ILE 69 -0.209 -7.159 1.376 581 HG22 ILE 69 HG22 ILE 69 0.047 -8.446 2.553 582 HG23 ILE 69 HG23 ILE 69 -0.890 -7.019 2.998 583 HD11 ILE 69 HD11 ILE 69 -0.171 -8.135 -0.497 584 HD12 ILE 69 HD12 ILE 69 -1.831 -7.835 -1.022 585 HD13 ILE 69 HD13 ILE 69 -0.995 -9.297 -1.538 586 H ALA 70 H ALA 70 -4.461 -7.501 3.160 587 HA ALA 70 HA ALA 70 -3.465 -5.865 5.252 588 HB1 ALA 70 HB1 ALA 70 -5.682 -4.818 5.173 589 HB2 ALA 70 HB2 ALA 70 -6.299 -6.158 4.200 590 HB3 ALA 70 HB3 ALA 70 -5.063 -5.084 3.545 591 H GLU 71 H GLU 71 -5.500 -8.720 5.169 592 HA GLU 71 HA GLU 71 -6.417 -8.581 7.886 593 HB2 GLU 71 HB2 GLU 71 -7.634 -9.750 6.048 594 HB3 GLU 71 HB3 GLU 71 -6.350 -10.955 5.981 595 HG2 GLU 71 HG2 GLU 71 -6.866 -11.664 8.272 596 HG3 GLU 71 HG3 GLU 71 -8.089 -10.399 8.407 597 H TYR 72 H TYR 72 -3.723 -10.099 6.200 598 HA TYR 72 HA TYR 72 -2.605 -11.427 8.480 599 HB2 TYR 72 HB2 TYR 72 -1.978 -12.170 6.230 600 HB3 TYR 72 HB3 TYR 72 -1.349 -10.574 5.831 601 HD1 TYR 72 HD1 TYR 72 -0.788 -13.458 8.195 602 HD2 TYR 72 HD2 TYR 72 0.960 -10.102 6.197 603 HE1 TYR 72 HE1 TYR 72 1.429 -14.102 9.038 604 HE2 TYR 72 HE2 TYR 72 3.164 -10.752 7.037 605 HH TYR 72 HH TYR 72 4.076 -12.069 9.004 606 H ALA 73 H ALA 73 -2.313 -8.220 7.055 607 HA ALA 73 HA ALA 73 -0.018 -7.295 8.427 608 HB1 ALA 73 HB1 ALA 73 -0.734 -5.073 7.654 609 HB2 ALA 73 HB2 ALA 73 -2.315 -5.730 7.212 610 HB3 ALA 73 HB3 ALA 73 -0.862 -6.271 6.367 611 H GLN 74 H GLN 74 -3.504 -6.795 9.058 612 HA GLN 74 HA GLN 74 -3.216 -5.328 11.472 613 HB2 GLN 74 HB2 GLN 74 -5.609 -5.699 11.800 614 HB3 GLN 74 HB3 GLN 74 -5.307 -5.352 10.099 615 HG2 GLN 74 HG2 GLN 74 -5.408 -7.794 9.622 616 HG3 GLN 74 HG3 GLN 74 -5.808 -8.082 11.307 617 HE21 GLN 74 HE21 GLN 74 -6.949 -6.866 8.270 618 HE22 GLN 74 HE22 GLN 74 -8.620 -6.819 8.691 619 H LYS 75 H LYS 75 -3.333 -8.766 10.739 620 HA LYS 75 HA LYS 75 -3.494 -9.880 13.328 621 HB2 LYS 75 HB2 LYS 75 -3.826 -11.166 11.277 622 HB3 LYS 75 HB3 LYS 75 -2.156 -10.899 10.803 623 HG2 LYS 75 HG2 LYS 75 -1.406 -12.236 12.767 624 HG3 LYS 75 HG3 LYS 75 -3.095 -12.546 13.179 625 HD2 LYS 75 HD2 LYS 75 -1.648 -13.420 10.652 626 HD3 LYS 75 HD3 LYS 75 -2.188 -14.459 11.971 627 HE2 LYS 75 HE2 LYS 75 -4.021 -12.844 10.171 628 HE3 LYS 75 HE3 LYS 75 -3.687 -14.569 9.994 629 HZ1 LYS 75 HZ1 LYS 75 -4.630 -14.889 12.227 630 HZ2 LYS 75 HZ2 LYS 75 -5.750 -14.255 11.134 631 HZ3 LYS 75 HZ3 LYS 75 -5.031 -13.249 12.288 632 H GLU 76 H GLU 76 -0.752 -8.732 11.389 633 HA GLU 76 HA GLU 76 1.317 -9.480 13.234 634 HB2 GLU 76 HB2 GLU 76 1.323 -7.497 10.922 635 HB3 GLU 76 HB3 GLU 76 2.759 -7.995 11.803 636 HG2 GLU 76 HG2 GLU 76 0.994 -9.853 10.191 637 HG3 GLU 76 HG3 GLU 76 2.485 -9.121 9.611 638 H GLY 77 H GLY 77 -1.068 -7.228 13.628 639 HA2 GLY 77 HA2 GLY 77 -1.390 -5.570 15.181 640 HA3 GLY 77 HA3 GLY 77 0.240 -5.854 15.782 641 H LEU 78 H LEU 78 -0.406 -5.186 12.425 642 HA LEU 78 HA LEU 78 0.958 -2.566 12.630 643 HB2 LEU 78 HB2 LEU 78 0.738 -4.328 10.149 644 HB3 LEU 78 HB3 LEU 78 1.764 -2.917 10.366 645 HG LEU 78 HG LEU 78 2.114 -5.623 11.720 646 HD11 LEU 78 HD11 LEU 78 4.171 -5.812 10.425 647 HD12 LEU 78 HD12 LEU 78 3.839 -4.268 9.634 648 HD13 LEU 78 HD13 LEU 78 2.767 -5.646 9.369 649 HD21 LEU 78 HD21 LEU 78 4.198 -4.746 12.660 650 HD22 LEU 78 HD22 LEU 78 2.795 -3.861 13.252 651 HD23 LEU 78 HD23 LEU 78 3.825 -3.146 12.010 652 H ARG 79 H ARG 79 -0.197 -0.814 12.057 653 HA ARG 79 HA ARG 79 -2.959 -0.883 11.410 654 HB2 ARG 79 HB2 ARG 79 -1.914 0.989 12.639 655 HB3 ARG 79 HB3 ARG 79 -0.909 1.369 11.246 656 HG2 ARG 79 HG2 ARG 79 -2.983 1.953 9.966 657 HG3 ARG 79 HG3 ARG 79 -3.925 1.670 11.431 658 HD2 ARG 79 HD2 ARG 79 -2.582 3.451 12.578 659 HD3 ARG 79 HD3 ARG 79 -1.769 3.777 11.044 660 HE ARG 79 HE ARG 79 -4.341 4.068 10.357 661 HH11 ARG 79 HH11 ARG 79 -2.564 5.390 13.094 662 HH12 ARG 79 HH12 ARG 79 -3.550 6.816 13.195 663 HH21 ARG 79 HH21 ARG 79 -5.639 5.926 10.523 664 HH22 ARG 79 HH22 ARG 79 -5.289 7.119 11.735 665 H VAL 80 H VAL 80 -3.971 -0.854 9.407 666 HA VAL 80 HA VAL 80 -2.243 -1.216 7.048 667 HB VAL 80 HB VAL 80 -5.233 -1.771 7.282 668 HG11 VAL 80 HG11 VAL 80 -4.909 -3.097 5.224 669 HG12 VAL 80 HG12 VAL 80 -3.208 -2.636 5.184 670 HG13 VAL 80 HG13 VAL 80 -4.458 -1.410 4.969 671 HG21 VAL 80 HG21 VAL 80 -2.923 -3.728 7.580 672 HG22 VAL 80 HG22 VAL 80 -4.632 -4.169 7.513 673 HG23 VAL 80 HG23 VAL 80 -4.017 -3.212 8.864 674 H ILE 81 H ILE 81 -2.008 0.375 5.658 675 HA ILE 81 HA ILE 81 -4.141 2.384 5.205 676 HB ILE 81 HB ILE 81 -1.115 2.635 5.178 677 HG12 ILE 81 HG12 ILE 81 -1.627 4.935 6.122 678 HG13 ILE 81 HG13 ILE 81 -3.338 4.536 6.058 679 HG21 ILE 81 HG21 ILE 81 -2.888 4.325 3.387 680 HG22 ILE 81 HG22 ILE 81 -1.606 3.226 2.873 681 HG23 ILE 81 HG23 ILE 81 -1.205 4.688 3.771 682 HD11 ILE 81 HD11 ILE 81 -1.251 3.178 7.747 683 HD12 ILE 81 HD12 ILE 81 -2.964 2.758 7.699 684 HD13 ILE 81 HD13 ILE 81 -2.458 4.338 8.296 685 H VAL 82 H VAL 82 -5.138 2.125 3.241 686 HA VAL 82 HA VAL 82 -3.783 0.568 1.102 687 HB VAL 82 HB VAL 82 -6.778 0.995 1.565 688 HG11 VAL 82 HG11 VAL 82 -5.396 -0.685 -0.554 689 HG12 VAL 82 HG12 VAL 82 -6.290 0.810 -0.832 690 HG13 VAL 82 HG13 VAL 82 -7.136 -0.631 -0.264 691 HG21 VAL 82 HG21 VAL 82 -5.126 -1.535 1.941 692 HG22 VAL 82 HG22 VAL 82 -6.878 -1.409 2.129 693 HG23 VAL 82 HG23 VAL 82 -5.809 -0.543 3.235 694 H ILE 83 H ILE 83 -2.964 1.942 -0.449 695 HA ILE 83 HA ILE 83 -4.386 4.475 -1.067 696 HB ILE 83 HB ILE 83 -1.515 3.685 -1.758 697 HG12 ILE 83 HG12 ILE 83 -2.504 5.613 0.394 698 HG13 ILE 83 HG13 ILE 83 -1.872 3.999 0.698 699 HG21 ILE 83 HG21 ILE 83 -2.927 6.362 -2.079 700 HG22 ILE 83 HG22 ILE 83 -2.451 5.277 -3.386 701 HG23 ILE 83 HG23 ILE 83 -1.217 6.060 -2.399 702 HD11 ILE 83 HD11 ILE 83 -0.330 6.316 -0.459 703 HD12 ILE 83 HD12 ILE 83 0.298 4.684 -0.209 704 HD13 ILE 83 HD13 ILE 83 -0.205 5.657 1.172 705 H ILE 84 H ILE 84 -5.801 4.092 -2.679 706 HA ILE 84 HA ILE 84 -5.204 2.199 -4.845 707 HB ILE 84 HB ILE 84 -7.731 3.855 -4.389 708 HG12 ILE 84 HG12 ILE 84 -7.255 0.947 -3.596 709 HG13 ILE 84 HG13 ILE 84 -7.181 2.297 -2.468 710 HG21 ILE 84 HG21 ILE 84 -8.820 2.216 -5.891 711 HG22 ILE 84 HG22 ILE 84 -7.276 1.394 -6.121 712 HG23 ILE 84 HG23 ILE 84 -7.491 3.045 -6.710 713 HD11 ILE 84 HD11 ILE 84 -9.607 1.424 -4.024 714 HD12 ILE 84 HD12 ILE 84 -9.523 2.799 -2.917 715 HD13 ILE 84 HD13 ILE 84 -9.285 1.163 -2.311 716 H VAL 85 H VAL 85 -3.940 3.060 -6.412 717 HA VAL 85 HA VAL 85 -4.336 5.800 -7.374 718 HB VAL 85 HB VAL 85 -2.217 3.851 -8.370 719 HG11 VAL 85 HG11 VAL 85 -0.999 5.925 -8.983 720 HG12 VAL 85 HG12 VAL 85 -2.345 6.891 -8.376 721 HG13 VAL 85 HG13 VAL 85 -2.578 5.835 -9.771 722 HG21 VAL 85 HG21 VAL 85 -1.970 3.979 -5.926 723 HG22 VAL 85 HG22 VAL 85 -1.938 5.741 -6.004 724 HG23 VAL 85 HG23 VAL 85 -0.630 4.804 -6.732 725 H SER 86 H SER 86 -6.070 5.836 -8.690 726 HA SER 86 HA SER 86 -5.973 4.497 -11.253 727 HB2 SER 86 HB2 SER 86 -7.232 2.833 -9.910 728 HB3 SER 86 HB3 SER 86 -8.350 4.087 -9.372 729 HG SER 86 HG SER 86 -8.874 2.638 -11.288 730 H GLN 87 H GLN 87 -6.896 5.769 -12.802 731 HA GLN 87 HA GLN 87 -7.614 8.470 -12.217 732 HB2 GLN 87 HB2 GLN 87 -8.012 8.641 -14.681 733 HB3 GLN 87 HB3 GLN 87 -6.435 7.988 -14.263 734 HG2 GLN 87 HG2 GLN 87 -7.225 5.712 -14.772 735 HG3 GLN 87 HG3 GLN 87 -8.820 6.353 -15.178 736 HE21 GLN 87 HE21 GLN 87 -9.051 7.585 -17.099 737 HE22 GLN 87 HE22 GLN 87 -7.872 7.526 -18.363 738 H ASP 88 H ASP 88 -9.430 5.554 -12.469 739 HA ASP 88 HA ASP 88 -11.998 6.787 -13.009 740 HB2 ASP 88 HB2 ASP 88 -11.243 3.957 -12.164 741 HB3 ASP 88 HB3 ASP 88 -12.897 4.470 -12.487 742 H GLU 89 H GLU 89 -12.796 8.065 -11.496 743 HA GLU 89 HA GLU 89 -12.229 8.089 -8.745 744 HB2 GLU 89 HB2 GLU 89 -14.638 9.223 -10.214 745 HB3 GLU 89 HB3 GLU 89 -14.159 9.666 -8.578 746 HG2 GLU 89 HG2 GLU 89 -12.114 10.697 -9.388 747 HG3 GLU 89 HG3 GLU 89 -12.414 10.118 -11.026 748 H GLU 90 H GLU 90 -14.656 6.356 -10.574 749 HA GLU 90 HA GLU 90 -16.317 5.553 -8.395 750 HB2 GLU 90 HB2 GLU 90 -15.973 4.215 -11.111 751 HB3 GLU 90 HB3 GLU 90 -17.290 3.935 -9.974 752 HG2 GLU 90 HG2 GLU 90 -17.940 6.358 -10.230 753 HG3 GLU 90 HG3 GLU 90 -16.721 6.498 -11.500 754 H ALA 91 H ALA 91 -13.650 3.963 -10.181 755 HA ALA 91 HA ALA 91 -13.595 1.525 -8.750 756 HB1 ALA 91 HB1 ALA 91 -12.507 1.802 -10.943 757 HB2 ALA 91 HB2 ALA 91 -11.358 1.210 -9.742 758 HB3 ALA 91 HB3 ALA 91 -11.329 2.907 -10.234 759 H LEU 92 H LEU 92 -12.085 4.657 -8.191 760 HA LEU 92 HA LEU 92 -10.419 4.082 -6.025 761 HB2 LEU 92 HB2 LEU 92 -12.015 6.588 -6.674 762 HB3 LEU 92 HB3 LEU 92 -10.854 6.513 -5.361 763 HG LEU 92 HG LEU 92 -10.208 6.186 -8.319 764 HD11 LEU 92 HD11 LEU 92 -10.751 8.500 -7.731 765 HD12 LEU 92 HD12 LEU 92 -9.039 8.326 -8.116 766 HD13 LEU 92 HD13 LEU 92 -9.557 8.467 -6.432 767 HD21 LEU 92 HD21 LEU 92 -8.720 4.805 -6.954 768 HD22 LEU 92 HD22 LEU 92 -8.326 6.196 -5.939 769 HD23 LEU 92 HD23 LEU 92 -7.850 6.179 -7.639 770 H ARG 93 H ARG 93 -13.863 5.090 -6.043 771 HA ARG 93 HA ARG 93 -14.270 5.000 -3.243 772 HB2 ARG 93 HB2 ARG 93 -16.224 4.903 -5.565 773 HB3 ARG 93 HB3 ARG 93 -16.760 4.875 -3.888 774 HG2 ARG 93 HG2 ARG 93 -15.577 7.076 -3.542 775 HG3 ARG 93 HG3 ARG 93 -15.278 7.124 -5.286 776 HD2 ARG 93 HD2 ARG 93 -17.298 8.426 -4.636 777 HD3 ARG 93 HD3 ARG 93 -17.682 7.095 -5.732 778 HE ARG 93 HE ARG 93 -18.020 6.792 -2.807 779 HH11 ARG 93 HH11 ARG 93 -19.485 6.708 -6.020 780 HH12 ARG 93 HH12 ARG 93 -20.980 6.045 -5.443 781 HH21 ARG 93 HH21 ARG 93 -19.961 5.912 -2.087 782 HH22 ARG 93 HH22 ARG 93 -21.245 5.597 -3.209 783 H LYS 94 H LYS 94 -14.581 2.511 -5.728 784 HA LYS 94 HA LYS 94 -16.211 0.673 -4.358 785 HB2 LYS 94 HB2 LYS 94 -14.128 0.240 -6.534 786 HB3 LYS 94 HB3 LYS 94 -15.176 -1.049 -5.942 787 HG2 LYS 94 HG2 LYS 94 -17.163 0.186 -6.673 788 HG3 LYS 94 HG3 LYS 94 -16.149 1.528 -7.217 789 HD2 LYS 94 HD2 LYS 94 -15.063 0.009 -8.865 790 HD3 LYS 94 HD3 LYS 94 -16.120 -1.303 -8.334 791 HE2 LYS 94 HE2 LYS 94 -17.034 1.298 -9.606 792 HE3 LYS 94 HE3 LYS 94 -16.932 -0.266 -10.414 793 HZ1 LYS 94 HZ1 LYS 94 -18.722 0.437 -8.149 794 HZ2 LYS 94 HZ2 LYS 94 -18.576 -1.110 -8.810 795 HZ3 LYS 94 HZ3 LYS 94 -19.181 0.154 -9.753 796 H GLY 95 H GLY 95 -12.646 0.797 -4.595 797 HA2 GLY 95 HA2 GLY 95 -12.214 -1.222 -2.587 798 HA3 GLY 95 HA3 GLY 95 -11.014 -0.147 -3.279 799 H TYR 96 H TYR 96 -12.571 2.281 -2.567 800 HA TYR 96 HA TYR 96 -11.150 2.916 -0.222 801 HB2 TYR 96 HB2 TYR 96 -11.745 4.621 -1.881 802 HB3 TYR 96 HB3 TYR 96 -13.454 4.369 -1.582 803 HD1 TYR 96 HD2 TYR 96 -10.323 5.432 0.243 804 HD2 TYR 96 HD1 TYR 96 -14.558 5.899 -0.144 805 HE1 TYR 96 HE2 TYR 96 -10.267 7.282 1.849 806 HE2 TYR 96 HE1 TYR 96 -14.494 7.751 1.473 807 HH TYR 96 HH TYR 96 -11.638 9.280 2.409 808 H GLU 97 H GLU 97 -14.665 2.677 -0.707 809 HA GLU 97 HA GLU 97 -15.258 3.065 2.061 810 HB2 GLU 97 HB2 GLU 97 -17.074 2.043 -0.171 811 HB3 GLU 97 HB3 GLU 97 -17.590 2.731 1.370 812 HG2 GLU 97 HG2 GLU 97 -16.698 4.922 0.753 813 HG3 GLU 97 HG3 GLU 97 -16.011 4.266 -0.730 814 H ASP 98 H ASP 98 -14.957 0.284 -0.076 815 HA ASP 98 HA ASP 98 -16.159 -1.724 1.495 816 HB2 ASP 98 HB2 ASP 98 -15.730 -1.948 -0.920 817 HB3 ASP 98 HB3 ASP 98 -13.996 -1.928 -0.641 818 H LYS 99 H LYS 99 -12.700 -0.870 1.124 819 HA LYS 99 HA LYS 99 -11.749 -2.764 3.046 820 HB2 LYS 99 HB2 LYS 99 -10.482 -0.505 1.486 821 HB3 LYS 99 HB3 LYS 99 -9.603 -1.181 2.852 822 HG2 LYS 99 HG2 LYS 99 -8.910 -2.179 0.695 823 HG3 LYS 99 HG3 LYS 99 -9.551 -3.377 1.821 824 HD2 LYS 99 HD2 LYS 99 -11.705 -3.374 0.590 825 HD3 LYS 99 HD3 LYS 99 -11.068 -2.168 -0.529 826 HE2 LYS 99 HE2 LYS 99 -9.443 -3.752 -1.395 827 HE3 LYS 99 HE3 LYS 99 -9.874 -4.937 -0.155 828 HZ1 LYS 99 HZ1 LYS 99 -11.656 -3.957 -2.324 829 HZ2 LYS 99 HZ2 LYS 99 -12.109 -5.033 -1.106 830 HZ3 LYS 99 HZ3 LYS 99 -10.934 -5.486 -2.235 831 H LYS 100 H LYS 100 -12.894 0.553 3.268 832 HA LYS 100 HA LYS 100 -11.936 1.076 5.920 833 HB2 LYS 100 HB2 LYS 100 -14.091 2.387 4.244 834 HB3 LYS 100 HB3 LYS 100 -13.728 2.914 5.885 835 HG2 LYS 100 HG2 LYS 100 -11.407 3.432 5.213 836 HG3 LYS 100 HG3 LYS 100 -11.767 2.899 3.571 837 HD2 LYS 100 HD2 LYS 100 -11.935 5.242 3.451 838 HD3 LYS 100 HD3 LYS 100 -13.610 4.710 3.565 839 HE2 LYS 100 HE2 LYS 100 -11.917 5.839 5.820 840 HE3 LYS 100 HE3 LYS 100 -13.218 6.671 4.974 841 HZ1 LYS 100 HZ1 LYS 100 -13.469 4.337 6.796 842 HZ2 LYS 100 HZ2 LYS 100 -14.743 4.930 5.861 843 HZ3 LYS 100 HZ3 LYS 100 -14.045 5.907 7.050 844 H LYS 101 H LYS 101 -14.820 -0.522 4.650 845 HA LYS 101 HA LYS 101 -16.364 -0.673 7.035 846 HB2 LYS 101 HB2 LYS 101 -16.202 -2.714 4.765 847 HB3 LYS 101 HB3 LYS 101 -17.477 -2.644 5.982 848 HG2 LYS 101 HG2 LYS 101 -18.256 -0.512 5.125 849 HG3 LYS 101 HG3 LYS 101 -16.889 -0.419 4.020 850 HD2 LYS 101 HD2 LYS 101 -17.789 -2.583 2.955 851 HD3 LYS 101 HD3 LYS 101 -19.259 -2.305 3.895 852 HE2 LYS 101 HE2 LYS 101 -18.077 -0.452 1.797 853 HE3 LYS 101 HE3 LYS 101 -19.528 -1.437 1.626 854 HZ1 LYS 101 HZ1 LYS 101 -20.117 0.823 2.073 855 HZ2 LYS 101 HZ2 LYS 101 -19.163 0.858 3.467 856 HZ3 LYS 101 HZ3 LYS 101 -20.541 -0.117 3.412 857 H LYS 102 H LYS 102 -13.561 -2.336 5.911 858 HA LYS 102 HA LYS 102 -13.551 -4.443 7.926 859 HB2 LYS 102 HB2 LYS 102 -11.437 -3.705 5.860 860 HB3 LYS 102 HB3 LYS 102 -11.562 -5.227 6.750 861 HG2 LYS 102 HG2 LYS 102 -13.648 -5.783 5.580 862 HG3 LYS 102 HG3 LYS 102 -13.625 -4.220 4.755 863 HD2 LYS 102 HD2 LYS 102 -12.825 -5.903 3.220 864 HD3 LYS 102 HD3 LYS 102 -11.466 -4.873 3.671 865 HE2 LYS 102 HE2 LYS 102 -10.754 -7.191 3.642 866 HE3 LYS 102 HE3 LYS 102 -10.744 -6.615 5.308 867 HZ1 LYS 102 HZ1 LYS 102 -12.901 -7.702 5.621 868 HZ2 LYS 102 HZ2 LYS 102 -11.701 -8.803 5.175 869 HZ3 LYS 102 HZ3 LYS 102 -12.841 -8.292 4.040 870 H GLY 103 H GLY 103 -12.496 -1.220 7.669 871 HA2 GLY 103 HA2 GLY 103 -11.710 0.081 9.435 872 HA3 GLY 103 HA3 GLY 103 -11.124 -1.357 10.256 873 H TYR 104 H TYR 104 -10.413 -0.461 6.893 874 HA TYR 104 HA TYR 104 -7.558 -0.075 7.596 875 HB2 TYR 104 HB2 TYR 104 -8.718 -0.512 4.810 876 HB3 TYR 104 HB3 TYR 104 -7.020 -0.575 5.279 877 HD1 TYR 104 HD2 TYR 104 -7.486 -2.315 7.845 878 HD2 TYR 104 HD1 TYR 104 -8.822 -2.700 3.810 879 HE1 TYR 104 HE2 TYR 104 -7.693 -4.746 8.140 880 HE2 TYR 104 HE1 TYR 104 -9.031 -5.120 4.100 881 HH TYR 104 HH TYR 104 -8.107 -6.896 5.528 882 H ASP 105 H ASP 105 -6.537 1.842 7.094 883 HA ASP 105 HA ASP 105 -8.180 4.179 6.564 884 HB2 ASP 105 HB2 ASP 105 -5.151 3.945 6.911 885 HB3 ASP 105 HB3 ASP 105 -6.081 5.443 6.939 886 H VAL 106 H VAL 106 -8.817 4.323 4.434 887 HA VAL 106 HA VAL 106 -6.888 3.593 2.332 888 HB VAL 106 HB VAL 106 -9.890 3.996 1.971 889 HG11 VAL 106 HG11 VAL 106 -8.585 4.164 -0.110 890 HG12 VAL 106 HG12 VAL 106 -9.534 2.677 -0.110 891 HG13 VAL 106 HG13 VAL 106 -7.806 2.617 0.230 892 HG21 VAL 106 HG21 VAL 106 -8.406 1.387 2.481 893 HG22 VAL 106 HG22 VAL 106 -10.116 1.529 2.061 894 HG23 VAL 106 HG23 VAL 106 -9.527 2.175 3.594 895 H TYR 107 H TYR 107 -6.258 5.013 0.817 896 HA TYR 107 HA TYR 107 -7.245 7.794 0.812 897 HB2 TYR 107 HB2 TYR 107 -4.405 6.796 0.220 898 HB3 TYR 107 HB3 TYR 107 -4.940 8.472 0.142 899 HD1 TYR 107 HD2 TYR 107 -4.354 5.628 2.481 900 HD2 TYR 107 HD1 TYR 107 -4.972 9.844 2.141 901 HE1 TYR 107 HE2 TYR 107 -3.783 5.901 4.846 902 HE2 TYR 107 HE1 TYR 107 -4.394 10.111 4.520 903 HH TYR 107 HH TYR 107 -2.934 7.643 6.351 904 H THR 108 H THR 108 -7.784 8.565 -1.206 905 HA THR 108 HA THR 108 -7.581 6.695 -3.491 906 HB THR 108 HB THR 108 -9.459 8.093 -4.468 907 HG1 THR 108 HG1 THR 108 -9.027 9.952 -3.052 908 HG21 THR 108 HG21 THR 108 -11.250 7.143 -3.064 909 HG22 THR 108 HG22 THR 108 -10.086 6.819 -1.777 910 HG23 THR 108 HG23 THR 108 -9.964 5.961 -3.316 911 H SER 109 H SER 109 -6.302 7.239 -5.105 912 HA SER 109 HA SER 109 -5.529 10.046 -5.543 913 HB2 SER 109 HB2 SER 109 -3.281 9.049 -6.377 914 HB3 SER 109 HB3 SER 109 -3.551 9.103 -4.643 915 HG SER 109 HG SER 109 -4.434 6.797 -5.815 916 H ARG 110 H ARG 110 -5.896 10.746 -7.490 917 HA ARG 110 HA ARG 110 -7.180 9.086 -9.487 918 HB2 ARG 110 HB2 ARG 110 -6.492 12.058 -9.385 919 HB3 ARG 110 HB3 ARG 110 -7.200 11.317 -10.808 920 HG2 ARG 110 HG2 ARG 110 -8.998 12.348 -9.576 921 HG3 ARG 110 HG3 ARG 110 -9.165 10.604 -9.357 922 HD2 ARG 110 HD2 ARG 110 -8.035 10.795 -7.158 923 HD3 ARG 110 HD3 ARG 110 -7.918 12.538 -7.379 924 HE ARG 110 HE ARG 110 -10.604 11.916 -7.554 925 HH11 ARG 110 HH11 ARG 110 -8.025 11.630 -5.147 926 HH12 ARG 110 HH12 ARG 110 -9.114 11.766 -3.799 927 HH21 ARG 110 HH21 ARG 110 -11.997 12.118 -5.750 928 HH22 ARG 110 HH22 ARG 110 -11.349 12.039 -4.142 929 H ASN 111 H ASN 111 -4.062 10.451 -8.857 930 HA ASN 111 HA ASN 111 -2.871 9.233 -11.222 931 HB2 ASN 111 HB2 ASN 111 -1.893 11.511 -11.940 932 HB3 ASN 111 HB3 ASN 111 -3.587 11.226 -12.313 933 HD21 ASN 111 HD21 ASN 111 -1.406 12.991 -10.299 934 HD22 ASN 111 HD22 ASN 111 -2.529 14.167 -9.743 935 H GLU 112 H GLU 112 -0.479 9.787 -11.278 936 HA GLU 112 HA GLU 112 0.592 8.761 -8.903 937 HB2 GLU 112 HB2 GLU 112 1.586 8.362 -11.130 938 HB3 GLU 112 HB3 GLU 112 2.098 10.047 -11.211 939 HG2 GLU 112 HG2 GLU 112 3.595 9.714 -9.284 940 HG3 GLU 112 HG3 GLU 112 3.053 8.041 -9.128 941 H ASP 113 H ASP 113 0.297 12.086 -10.021 942 HA ASP 113 HA ASP 113 2.098 13.389 -8.302 943 HB2 ASP 113 HB2 ASP 113 -0.608 14.490 -9.177 944 HB3 ASP 113 HB3 ASP 113 0.789 15.426 -8.650 945 H GLU 114 H GLU 114 -1.321 12.462 -7.807 946 HA GLU 114 HA GLU 114 -1.416 13.376 -5.096 947 HB2 GLU 114 HB2 GLU 114 -3.464 13.281 -6.471 948 HB3 GLU 114 HB3 GLU 114 -3.348 11.529 -6.550 949 HG2 GLU 114 HG2 GLU 114 -3.868 11.276 -4.249 950 HG3 GLU 114 HG3 GLU 114 -3.504 12.951 -3.906 951 H ALA 115 H ALA 115 -0.778 10.291 -6.689 952 HA ALA 115 HA ALA 115 -0.842 8.561 -4.459 953 HB1 ALA 115 HB1 ALA 115 0.463 7.019 -5.854 954 HB2 ALA 115 HB2 ALA 115 0.845 8.333 -6.973 955 HB3 ALA 115 HB3 ALA 115 -0.821 7.777 -6.797 956 H LYS 116 H LYS 116 1.648 10.643 -5.758 957 HA LYS 116 HA LYS 116 3.889 9.885 -4.231 958 HB2 LYS 116 HB2 LYS 116 4.247 11.232 -6.174 959 HB3 LYS 116 HB3 LYS 116 3.058 12.428 -5.683 960 HG2 LYS 116 HG2 LYS 116 4.536 13.363 -4.042 961 HG3 LYS 116 HG3 LYS 116 5.666 12.019 -4.182 962 HD2 LYS 116 HD2 LYS 116 5.085 13.886 -6.509 963 HD3 LYS 116 HD3 LYS 116 6.317 14.250 -5.303 964 HE2 LYS 116 HE2 LYS 116 7.354 13.228 -7.272 965 HE3 LYS 116 HE3 LYS 116 7.509 12.138 -5.889 966 HZ1 LYS 116 HZ1 LYS 116 6.868 11.120 -8.069 967 HZ2 LYS 116 HZ2 LYS 116 5.354 11.844 -7.892 968 HZ3 LYS 116 HZ3 LYS 116 5.896 10.725 -6.744 969 H LYS 117 H LYS 117 1.375 12.332 -3.744 970 HA LYS 117 HA LYS 117 2.319 13.459 -1.334 971 HB2 LYS 117 HB2 LYS 117 -0.530 13.320 -2.412 972 HB3 LYS 117 HB3 LYS 117 0.023 14.408 -1.137 973 HG2 LYS 117 HG2 LYS 117 1.470 15.590 -2.691 974 HG3 LYS 117 HG3 LYS 117 1.112 14.426 -3.972 975 HD2 LYS 117 HD2 LYS 117 -1.306 15.149 -3.851 976 HD3 LYS 117 HD3 LYS 117 -0.825 16.403 -2.703 977 HE2 LYS 117 HE2 LYS 117 0.159 16.150 -5.567 978 HE3 LYS 117 HE3 LYS 117 -1.049 17.298 -4.990 979 HZ1 LYS 117 HZ1 LYS 117 1.118 18.322 -5.185 980 HZ2 LYS 117 HZ2 LYS 117 1.788 17.191 -4.125 981 HZ3 LYS 117 HZ3 LYS 117 0.633 18.292 -3.565 982 H LYS 118 H LYS 118 -0.175 10.970 -1.964 983 HA LYS 118 HA LYS 118 -0.969 10.655 0.752 984 HB2 LYS 118 HB2 LYS 118 -1.482 8.811 -1.631 985 HB3 LYS 118 HB3 LYS 118 -2.292 8.694 -0.070 986 HG2 LYS 118 HG2 LYS 118 -2.470 10.984 -2.041 987 HG3 LYS 118 HG3 LYS 118 -3.745 9.826 -1.650 988 HD2 LYS 118 HD2 LYS 118 -4.085 10.768 0.521 989 HD3 LYS 118 HD3 LYS 118 -2.549 11.634 0.484 990 HE2 LYS 118 HE2 LYS 118 -3.500 13.025 -1.407 991 HE3 LYS 118 HE3 LYS 118 -5.065 12.279 -1.072 992 HZ1 LYS 118 HZ1 LYS 118 -4.738 14.431 0.052 993 HZ2 LYS 118 HZ2 LYS 118 -3.448 13.769 0.927 994 HZ3 LYS 118 HZ3 LYS 118 -5.015 13.168 1.141 995 H LEU 119 H LEU 119 1.415 9.045 -1.249 996 HA LEU 119 HA LEU 119 1.844 6.794 0.434 997 HB2 LEU 119 HB2 LEU 119 2.545 6.910 -1.958 998 HB3 LEU 119 HB3 LEU 119 3.771 8.091 -1.524 999 HG LEU 119 HG LEU 119 4.985 6.423 -0.191 1000 HD11 LEU 119 HD11 LEU 119 2.786 4.471 -0.930 1001 HD12 LEU 119 HD12 LEU 119 3.103 5.130 0.678 1002 HD13 LEU 119 HD13 LEU 119 4.287 4.078 -0.087 1003 HD21 LEU 119 HD21 LEU 119 4.264 5.326 -2.923 1004 HD22 LEU 119 HD22 LEU 119 5.699 4.912 -1.978 1005 HD23 LEU 119 HD23 LEU 119 5.489 6.552 -2.586 1006 H LYS 120 H LYS 120 3.532 9.921 0.077 1007 HA LYS 120 HA LYS 120 5.376 9.492 2.206 1008 HB2 LYS 120 HB2 LYS 120 4.465 12.078 0.889 1009 HB3 LYS 120 HB3 LYS 120 5.821 11.945 2.010 1010 HG2 LYS 120 HG2 LYS 120 6.923 10.356 0.432 1011 HG3 LYS 120 HG3 LYS 120 5.606 10.614 -0.710 1012 HD2 LYS 120 HD2 LYS 120 7.542 12.745 0.278 1013 HD3 LYS 120 HD3 LYS 120 7.617 11.936 -1.284 1014 HE2 LYS 120 HE2 LYS 120 6.613 13.997 -1.783 1015 HE3 LYS 120 HE3 LYS 120 5.232 12.906 -1.674 1016 HZ1 LYS 120 HZ1 LYS 120 4.752 13.745 0.518 1017 HZ2 LYS 120 HZ2 LYS 120 4.912 15.049 -0.537 1018 HZ3 LYS 120 HZ3 LYS 120 6.163 14.676 0.529 1019 H GLU 121 H GLU 121 2.121 10.855 2.061 1020 HA GLU 121 HA GLU 121 1.969 11.934 4.684 1021 HB2 GLU 121 HB2 GLU 121 -0.138 10.957 2.723 1022 HB3 GLU 121 HB3 GLU 121 -0.595 11.489 4.338 1023 HG2 GLU 121 HG2 GLU 121 0.309 13.719 3.894 1024 HG3 GLU 121 HG3 GLU 121 0.869 13.200 2.305 1025 H ALA 122 H ALA 122 1.244 8.734 3.343 1026 HA ALA 122 HA ALA 122 0.334 7.469 5.728 1027 HB1 ALA 122 HB1 ALA 122 1.559 6.258 3.221 1028 HB2 ALA 122 HB2 ALA 122 -0.154 6.596 3.479 1029 HB3 ALA 122 HB3 ALA 122 0.655 5.381 4.465 1030 H LEU 123 H LEU 123 3.518 7.944 4.259 1031 HA LEU 123 HA LEU 123 5.012 6.303 6.050 1032 HB2 LEU 123 HB2 LEU 123 5.818 8.575 4.188 1033 HB3 LEU 123 HB3 LEU 123 6.991 7.694 5.158 1034 HG LEU 123 HG LEU 123 5.184 6.396 3.075 1035 HD11 LEU 123 HD11 LEU 123 8.110 7.133 2.799 1036 HD12 LEU 123 HD12 LEU 123 6.758 7.917 1.978 1037 HD13 LEU 123 HD13 LEU 123 7.143 6.235 1.626 1038 HD21 LEU 123 HD21 LEU 123 6.665 4.446 3.311 1039 HD22 LEU 123 HD22 LEU 123 5.861 4.836 4.828 1040 HD23 LEU 123 HD23 LEU 123 7.558 5.268 4.592 1041 H GLU 124 H GLU 124 4.043 9.718 6.073 1042 HA GLU 124 HA GLU 124 5.594 10.437 8.387 1043 HB2 GLU 124 HB2 GLU 124 3.335 11.872 6.929 1044 HB3 GLU 124 HB3 GLU 124 4.171 12.557 8.322 1045 HG2 GLU 124 HG2 GLU 124 6.330 12.372 7.062 1046 HG3 GLU 124 HG3 GLU 124 5.427 11.818 5.659 1047 H LYS 125 H LYS 125 2.317 9.246 7.866 1048 HA LYS 125 HA LYS 125 1.463 9.616 10.617 1049 HB2 LYS 125 HB2 LYS 125 0.177 8.151 8.268 1050 HB3 LYS 125 HB3 LYS 125 -0.548 8.219 9.872 1051 HG2 LYS 125 HG2 LYS 125 0.080 10.633 8.148 1052 HG3 LYS 125 HG3 LYS 125 -1.512 9.892 8.320 1053 HD2 LYS 125 HD2 LYS 125 -1.575 10.475 10.702 1054 HD3 LYS 125 HD3 LYS 125 0.077 11.094 10.632 1055 HE2 LYS 125 HE2 LYS 125 -1.600 12.913 10.635 1056 HE3 LYS 125 HE3 LYS 125 -0.641 12.917 9.158 1057 HZ1 LYS 125 HZ1 LYS 125 -2.453 11.873 7.998 1058 HZ2 LYS 125 HZ2 LYS 125 -3.007 13.276 8.753 1059 HZ3 LYS 125 HZ3 LYS 125 -3.365 11.762 9.415 1060 H SER 126 H SER 126 3.357 7.282 9.002 1061 HA SER 126 HA SER 126 2.807 5.155 10.951 1062 HB2 SER 126 HB2 SER 126 4.318 3.785 9.523 1063 HB3 SER 126 HB3 SER 126 2.966 4.462 8.621 1064 HG SER 126 HG SER 126 4.322 5.414 7.393 1065 H GLY 127 H GLY 127 5.100 7.651 10.317 1066 HA2 GLY 127 HA2 GLY 127 6.266 7.998 12.645 1067 HA3 GLY 127 HA3 GLY 127 7.117 6.543 12.146 1068 H SER 128 H SER 128 7.358 7.039 9.414 1069 HA SER 128 HA SER 128 9.780 8.543 9.437 1070 HB2 SER 128 HB2 SER 128 8.219 7.328 7.114 1071 HB3 SER 128 HB3 SER 128 9.882 7.911 7.027 1072 HG SER 128 HG SER 128 10.539 6.127 7.907 1073 H LEU 129 H LEU 129 9.218 10.705 9.955 1074 HA LEU 129 HA LEU 129 7.366 12.270 8.409 1075 HB2 LEU 129 HB2 LEU 129 9.483 13.047 10.445 1076 HB3 LEU 129 HB3 LEU 129 8.402 14.212 9.694 1077 HG LEU 129 HG LEU 129 7.510 11.889 11.457 1078 HD11 LEU 129 HD11 LEU 129 7.654 14.859 12.090 1079 HD12 LEU 129 HD12 LEU 129 8.690 13.595 12.761 1080 HD13 LEU 129 HD13 LEU 129 6.968 13.607 13.133 1081 HD21 LEU 129 HD21 LEU 129 5.898 14.156 10.240 1082 HD22 LEU 129 HD22 LEU 129 5.291 12.959 11.387 1083 HD23 LEU 129 HD23 LEU 129 5.820 12.451 9.787 1084 H GLU 130 H GLU 130 7.971 14.227 7.245 1085 HA GLU 130 HA GLU 130 9.970 13.916 5.275 1086 HB2 GLU 130 HB2 GLU 130 7.769 15.480 5.446 1087 HB3 GLU 130 HB3 GLU 130 8.946 16.671 5.962 1088 HG2 GLU 130 HG2 GLU 130 8.903 15.199 3.305 1089 HG3 GLU 130 HG3 GLU 130 8.468 16.880 3.581 1090 H HIS 131 H HIS 131 12.088 14.661 5.213 1091 HA HIS 131 HA HIS 131 13.478 14.785 7.690 1092 HB2 HIS 131 HB2 HIS 131 14.435 15.123 4.818 1093 HB3 HIS 131 HB3 HIS 131 15.523 15.090 6.201 1094 HD2 HIS 131 HD2 HIS 131 12.562 12.519 5.723 1095 HE1 HIS 131 HE1 HIS 131 16.273 10.507 5.541 1096 HE2 HIS 131 HE2 HIS 131 13.761 10.252 5.418 1097 H HIS 132 H HIS 132 12.928 16.559 8.849 1098 HA HIS 132 HA HIS 132 12.693 18.635 9.622 1099 HB2 HIS 132 HB2 HIS 132 15.139 18.640 9.588 1100 HB3 HIS 132 HB3 HIS 132 15.157 19.167 7.907 1101 HD2 HIS 132 HD2 HIS 132 15.050 21.899 7.545 1102 HE1 HIS 132 HE1 HIS 132 14.343 22.902 11.590 1103 HE2 HIS 132 HE2 HIS 132 14.700 23.803 9.258 1104 H HIS 133 H HIS 133 13.905 19.939 6.592 1105 HA HIS 133 HA HIS 133 11.433 20.342 5.240 1106 HB2 HIS 133 HB2 HIS 133 12.667 22.735 6.694 1107 HB3 HIS 133 HB3 HIS 133 11.724 22.954 5.231 1108 HD1 HIS 133 HD1 HIS 133 9.203 21.681 5.503 1109 HD2 HIS 133 HD2 HIS 133 11.112 23.083 8.916 1110 HE1 HIS 133 HE1 HIS 133 7.399 21.942 7.225 1111 HE2 HIS 133 HE2 HIS 133 8.555 22.972 9.205 1112 H HIS 134 H HIS 134 12.100 20.070 3.196 1113 HA HIS 134 HA HIS 134 14.845 20.544 2.375 1114 HB2 HIS 134 HB2 HIS 134 12.399 19.397 1.011 1115 HB3 HIS 134 HB3 HIS 134 13.800 19.857 0.048 1116 HD1 HIS 134 HD1 HIS 134 12.550 17.213 2.307 1117 HD2 HIS 134 HD2 HIS 134 16.157 18.319 0.585 1118 HE1 HIS 134 HE1 HIS 134 14.056 15.229 2.556 1119 HE2 HIS 134 HE2 HIS 134 16.276 16.003 1.695 1120 H HIS 135 H HIS 135 15.466 22.575 2.101 1121 HA HIS 135 HA HIS 135 13.710 24.746 1.316 1122 HB2 HIS 135 HB2 HIS 135 16.727 24.700 1.834 1123 HB3 HIS 135 HB3 HIS 135 15.757 26.157 1.615 1124 HD1 HIS 135 HD1 HIS 135 16.546 23.471 4.117 1125 HD2 HIS 135 HD2 HIS 135 14.204 26.892 3.851 1126 HE1 HIS 135 HE1 HIS 135 15.817 23.978 6.465 1127 HE2 HIS 135 HE2 HIS 135 14.630 26.192 6.289 1128 H HIS 136 H HIS 136 14.542 26.317 -0.403 1129 HA HIS 136 HA HIS 136 15.206 24.850 -2.888 1130 HB2 HIS 136 HB2 HIS 136 12.996 25.904 -2.967 1131 HB3 HIS 136 HB3 HIS 136 13.658 27.445 -2.445 1132 HD1 HIS 136 HD1 HIS 136 13.764 25.089 -5.430 1133 HD2 HIS 136 HD2 HIS 136 14.396 29.099 -4.532 1134 HE1 HIS 136 HE1 HIS 136 14.082 26.239 -7.636 1135 HE2 HIS 136 HE2 HIS 136 14.630 28.622 -7.053 Start of MODEL 10 1 H1 MET 1 H1 MET 1 7.971 0.546 15.911 2 H2 MET 1 H2 MET 1 7.918 0.964 14.277 3 H3 MET 1 H3 MET 1 8.415 -0.578 14.737 4 HA MET 1 HA MET 1 6.285 -1.159 15.497 5 HB2 MET 1 HB2 MET 1 5.444 1.686 14.749 6 HB3 MET 1 HB3 MET 1 4.361 0.421 15.329 7 HG2 MET 1 HG2 MET 1 4.827 1.899 17.165 8 HG3 MET 1 HG3 MET 1 5.668 0.379 17.481 9 HE1 MET 1 HE1 MET 1 7.426 1.304 19.240 10 HE2 MET 1 HE2 MET 1 6.490 2.800 19.217 11 HE3 MET 1 HE3 MET 1 8.245 2.854 19.050 12 H GLY 2 H GLY 2 5.660 -2.565 13.969 13 HA2 GLY 2 HA2 GLY 2 6.154 -2.231 11.176 14 HA3 GLY 2 HA3 GLY 2 5.293 -3.563 11.937 15 H VAL 3 H VAL 3 4.863 -1.416 9.628 16 HA VAL 3 HA VAL 3 1.918 -1.215 9.931 17 HB VAL 3 HB VAL 3 3.734 1.127 9.108 18 HG11 VAL 3 HG11 VAL 3 1.655 2.456 8.925 19 HG12 VAL 3 HG12 VAL 3 0.705 1.007 9.254 20 HG13 VAL 3 HG13 VAL 3 1.675 1.109 7.785 21 HG21 VAL 3 HG21 VAL 3 3.732 0.841 11.555 22 HG22 VAL 3 HG22 VAL 3 1.968 0.880 11.574 23 HG23 VAL 3 HG23 VAL 3 2.876 2.318 11.099 24 H VAL 4 H VAL 4 0.957 -1.847 7.967 25 HA VAL 4 HA VAL 4 2.780 -2.306 5.661 26 HB VAL 4 HB VAL 4 0.166 -3.725 6.349 27 HG11 VAL 4 HG11 VAL 4 0.525 -3.661 3.915 28 HG12 VAL 4 HG12 VAL 4 0.758 -5.298 4.530 29 HG13 VAL 4 HG13 VAL 4 2.158 -4.302 4.123 30 HG21 VAL 4 HG21 VAL 4 1.988 -4.296 7.917 31 HG22 VAL 4 HG22 VAL 4 3.033 -4.721 6.559 32 HG23 VAL 4 HG23 VAL 4 1.584 -5.673 6.889 33 H ILE 5 H ILE 5 2.594 -0.815 4.180 34 HA ILE 5 HA ILE 5 0.075 0.572 3.559 35 HB ILE 5 HB ILE 5 2.945 1.233 2.713 36 HG12 ILE 5 HG12 ILE 5 2.451 3.380 4.168 37 HG13 ILE 5 HG13 ILE 5 1.194 2.403 4.909 38 HG21 ILE 5 HG21 ILE 5 2.021 3.354 1.815 39 HG22 ILE 5 HG22 ILE 5 0.393 2.792 2.187 40 HG23 ILE 5 HG23 ILE 5 1.363 1.938 0.987 41 HD11 ILE 5 HD11 ILE 5 3.227 2.427 6.236 42 HD12 ILE 5 HD12 ILE 5 4.145 1.771 4.881 43 HD13 ILE 5 HD13 ILE 5 2.889 0.799 5.650 44 H LEU 6 H LEU 6 -1.027 -0.576 2.013 45 HA LEU 6 HA LEU 6 0.331 -1.910 -0.220 46 HB2 LEU 6 HB2 LEU 6 -2.585 -1.956 0.592 47 HB3 LEU 6 HB3 LEU 6 -1.829 -3.008 -0.588 48 HG LEU 6 HG LEU 6 -1.169 -2.983 2.381 49 HD11 LEU 6 HD11 LEU 6 -2.936 -4.899 0.845 50 HD12 LEU 6 HD12 LEU 6 -3.443 -3.729 2.070 51 HD13 LEU 6 HD13 LEU 6 -2.414 -5.083 2.524 52 HD21 LEU 6 HD21 LEU 6 0.689 -3.743 0.989 53 HD22 LEU 6 HD22 LEU 6 -0.357 -4.928 0.201 54 HD23 LEU 6 HD23 LEU 6 0.009 -5.072 1.923 55 H VAL 7 H VAL 7 0.754 -0.372 -1.753 56 HA VAL 7 HA VAL 7 -1.221 1.614 -2.540 57 HB VAL 7 HB VAL 7 1.532 1.100 -3.765 58 HG11 VAL 7 HG11 VAL 7 0.036 2.457 -5.173 59 HG12 VAL 7 HG12 VAL 7 1.362 3.437 -4.546 60 HG13 VAL 7 HG13 VAL 7 -0.246 3.567 -3.831 61 HG21 VAL 7 HG21 VAL 7 2.400 2.893 -2.303 62 HG22 VAL 7 HG22 VAL 7 1.802 1.528 -1.357 63 HG23 VAL 7 HG23 VAL 7 0.835 2.997 -1.494 64 H LEU 8 H LEU 8 -2.856 0.714 -3.728 65 HA LEU 8 HA LEU 8 -2.413 -1.319 -5.779 66 HB2 LEU 8 HB2 LEU 8 -4.898 0.102 -4.740 67 HB3 LEU 8 HB3 LEU 8 -4.951 -0.917 -6.165 68 HG LEU 8 HG LEU 8 -4.236 -2.869 -4.760 69 HD11 LEU 8 HD11 LEU 8 -4.605 -1.001 -2.411 70 HD12 LEU 8 HD12 LEU 8 -3.085 -1.714 -2.950 71 HD13 LEU 8 HD13 LEU 8 -4.365 -2.749 -2.320 72 HD21 LEU 8 HD21 LEU 8 -6.429 -3.185 -3.684 73 HD22 LEU 8 HD22 LEU 8 -6.586 -2.512 -5.303 74 HD23 LEU 8 HD23 LEU 8 -6.782 -1.467 -3.891 75 H THR 9 H THR 9 -1.393 -0.432 -7.561 76 HA THR 9 HA THR 9 -2.420 2.123 -8.679 77 HB THR 9 HB THR 9 -0.300 2.151 -10.002 78 HG1 THR 9 HG1 THR 9 0.514 0.194 -10.232 79 HG21 THR 9 HG21 THR 9 -0.290 3.293 -7.817 80 HG22 THR 9 HG22 THR 9 1.289 2.585 -8.162 81 HG23 THR 9 HG23 THR 9 0.197 1.790 -7.027 82 H GLY 10 H GLY 10 -3.492 2.095 -10.567 83 HA2 GLY 10 HA2 GLY 10 -4.236 -0.339 -11.904 84 HA3 GLY 10 HA3 GLY 10 -4.653 1.300 -12.382 85 H ASP 11 H ASP 11 -1.640 1.843 -12.202 86 HA ASP 11 HA ASP 11 -0.678 0.478 -14.627 87 HB2 ASP 11 HB2 ASP 11 -1.198 2.704 -15.374 88 HB3 ASP 11 HB3 ASP 11 -0.506 3.436 -13.929 89 H GLU 12 H GLU 12 1.264 -0.383 -14.452 90 HA GLU 12 HA GLU 12 2.532 -0.750 -11.939 91 HB2 GLU 12 HB2 GLU 12 4.158 -2.117 -13.219 92 HB3 GLU 12 HB3 GLU 12 2.496 -2.504 -13.655 93 HG2 GLU 12 HG2 GLU 12 2.728 -1.072 -15.694 94 HG3 GLU 12 HG3 GLU 12 4.416 -0.792 -15.270 95 H ARG 13 H ARG 13 3.079 1.506 -14.571 96 HA ARG 13 HA ARG 13 5.817 2.098 -13.942 97 HB2 ARG 13 HB2 ARG 13 3.856 3.649 -15.675 98 HB3 ARG 13 HB3 ARG 13 5.588 3.953 -15.579 99 HG2 ARG 13 HG2 ARG 13 4.235 1.472 -16.682 100 HG3 ARG 13 HG3 ARG 13 5.116 2.703 -17.589 101 HD2 ARG 13 HD2 ARG 13 6.264 0.686 -15.629 102 HD3 ARG 13 HD3 ARG 13 6.552 0.788 -17.368 103 HE ARG 13 HE ARG 13 7.351 3.196 -16.070 104 HH11 ARG 13 HH11 ARG 13 8.448 -0.097 -16.630 105 HH12 ARG 13 HH12 ARG 13 10.123 0.301 -16.425 106 HH21 ARG 13 HH21 ARG 13 9.533 3.684 -15.734 107 HH22 ARG 13 HH22 ARG 13 10.732 2.445 -15.916 108 H ILE 14 H ILE 14 2.699 3.526 -13.034 109 HA ILE 14 HA ILE 14 3.726 5.781 -11.642 110 HB ILE 14 HB ILE 14 1.165 4.209 -11.071 111 HG12 ILE 14 HG12 ILE 14 1.566 6.804 -12.641 112 HG13 ILE 14 HG13 ILE 14 1.274 5.226 -13.362 113 HG21 ILE 14 HG21 ILE 14 1.992 6.963 -10.062 114 HG22 ILE 14 HG22 ILE 14 1.812 5.505 -9.084 115 HG23 ILE 14 HG23 ILE 14 0.399 6.238 -9.839 116 HD11 ILE 14 HD11 ILE 14 -0.731 6.587 -13.354 117 HD12 ILE 14 HD12 ILE 14 -0.657 6.736 -11.599 118 HD13 ILE 14 HD13 ILE 14 -0.943 5.160 -12.343 119 H ALA 15 H ALA 15 2.973 2.439 -10.566 120 HA ALA 15 HA ALA 15 3.754 2.611 -7.873 121 HB1 ALA 15 HB1 ALA 15 3.958 0.153 -7.960 122 HB2 ALA 15 HB2 ALA 15 3.930 0.205 -9.726 123 HB3 ALA 15 HB3 ALA 15 2.511 0.701 -8.806 124 H GLU 16 H GLU 16 5.641 2.125 -10.787 125 HA GLU 16 HA GLU 16 8.118 1.364 -9.630 126 HB2 GLU 16 HB2 GLU 16 7.232 1.122 -12.070 127 HB3 GLU 16 HB3 GLU 16 7.769 2.773 -12.312 128 HG2 GLU 16 HG2 GLU 16 9.613 0.546 -11.409 129 HG3 GLU 16 HG3 GLU 16 9.320 0.907 -13.105 130 H GLU 17 H GLU 17 6.751 4.496 -10.642 131 HA GLU 17 HA GLU 17 8.961 6.137 -9.909 132 HB2 GLU 17 HB2 GLU 17 6.003 6.782 -10.265 133 HB3 GLU 17 HB3 GLU 17 7.230 8.009 -9.964 134 HG2 GLU 17 HG2 GLU 17 7.080 6.173 -12.367 135 HG3 GLU 17 HG3 GLU 17 6.690 7.893 -12.336 136 H LEU 18 H LEU 18 6.111 4.978 -8.176 137 HA LEU 18 HA LEU 18 6.380 6.663 -5.894 138 HB2 LEU 18 HB2 LEU 18 4.833 4.077 -6.306 139 HB3 LEU 18 HB3 LEU 18 4.730 5.051 -4.847 140 HG LEU 18 HG LEU 18 3.872 5.918 -7.634 141 HD11 LEU 18 HD11 LEU 18 2.203 5.325 -5.179 142 HD12 LEU 18 HD12 LEU 18 2.334 4.318 -6.624 143 HD13 LEU 18 HD13 LEU 18 1.604 5.918 -6.731 144 HD21 LEU 18 HD21 LEU 18 3.741 7.491 -5.042 145 HD22 LEU 18 HD22 LEU 18 3.031 7.979 -6.584 146 HD23 LEU 18 HD23 LEU 18 4.779 7.840 -6.429 147 H ARG 19 H ARG 19 7.672 3.528 -6.786 148 HA ARG 19 HA ARG 19 8.719 2.703 -4.297 149 HB2 ARG 19 HB2 ARG 19 8.565 1.226 -6.275 150 HB3 ARG 19 HB3 ARG 19 9.776 2.189 -7.111 151 HG2 ARG 19 HG2 ARG 19 11.480 1.513 -5.472 152 HG3 ARG 19 HG3 ARG 19 10.267 0.604 -4.565 153 HD2 ARG 19 HD2 ARG 19 11.661 -0.856 -6.012 154 HD3 ARG 19 HD3 ARG 19 9.947 -0.922 -6.441 155 HE ARG 19 HE ARG 19 11.309 1.042 -7.986 156 HH11 ARG 19 HH11 ARG 19 10.824 -2.432 -7.805 157 HH12 ARG 19 HH12 ARG 19 11.145 -2.678 -9.489 158 HH21 ARG 19 HH21 ARG 19 11.752 0.694 -10.161 159 HH22 ARG 19 HH22 ARG 19 11.668 -0.908 -10.819 160 H LYS 20 H LYS 20 9.967 4.822 -6.831 161 HA LYS 20 HA LYS 20 12.532 5.367 -5.740 162 HB2 LYS 20 HB2 LYS 20 10.810 7.113 -7.556 163 HB3 LYS 20 HB3 LYS 20 12.545 7.303 -7.293 164 HG2 LYS 20 HG2 LYS 20 12.962 5.122 -8.321 165 HG3 LYS 20 HG3 LYS 20 11.227 4.875 -8.542 166 HD2 LYS 20 HD2 LYS 20 11.133 6.778 -10.102 167 HD3 LYS 20 HD3 LYS 20 12.850 7.108 -9.835 168 HE2 LYS 20 HE2 LYS 20 13.457 4.974 -10.837 169 HE3 LYS 20 HE3 LYS 20 11.758 4.524 -10.983 170 HZ1 LYS 20 HZ1 LYS 20 13.115 6.736 -12.414 171 HZ2 LYS 20 HZ2 LYS 20 11.467 6.391 -12.502 172 HZ3 LYS 20 HZ3 LYS 20 12.590 5.271 -13.077 173 H GLU 21 H GLU 21 9.337 6.858 -5.343 174 HA GLU 21 HA GLU 21 10.104 9.179 -3.954 175 HB2 GLU 21 HB2 GLU 21 7.461 7.695 -3.715 176 HB3 GLU 21 HB3 GLU 21 7.759 9.356 -3.212 177 HG2 GLU 21 HG2 GLU 21 7.651 8.234 -6.009 178 HG3 GLU 21 HG3 GLU 21 6.627 9.474 -5.291 179 H VAL 22 H VAL 22 9.233 5.926 -2.789 180 HA VAL 22 HA VAL 22 9.281 6.475 -0.011 181 HB VAL 22 HB VAL 22 9.873 3.798 -1.370 182 HG11 VAL 22 HG11 VAL 22 9.158 2.787 0.794 183 HG12 VAL 22 HG12 VAL 22 9.010 4.401 1.493 184 HG13 VAL 22 HG13 VAL 22 10.590 3.804 0.987 185 HG21 VAL 22 HG21 VAL 22 7.677 4.681 -2.063 186 HG22 VAL 22 HG22 VAL 22 7.213 4.892 -0.374 187 HG23 VAL 22 HG23 VAL 22 7.484 3.270 -1.020 188 H GLN 23 H GLN 23 11.793 5.266 -2.247 189 HA GLN 23 HA GLN 23 13.824 4.800 -0.343 190 HB2 GLN 23 HB2 GLN 23 14.085 5.455 -3.305 191 HB3 GLN 23 HB3 GLN 23 15.384 4.813 -2.303 192 HG2 GLN 23 HG2 GLN 23 12.763 3.357 -2.743 193 HG3 GLN 23 HG3 GLN 23 14.165 3.146 -3.784 194 HE21 GLN 23 HE21 GLN 23 14.262 0.942 -3.285 195 HE22 GLN 23 HE22 GLN 23 14.844 0.362 -1.765 196 H LYS 24 H LYS 24 12.814 7.766 -1.946 197 HA LYS 24 HA LYS 24 15.149 9.284 -1.052 198 HB2 LYS 24 HB2 LYS 24 12.670 10.165 -2.583 199 HB3 LYS 24 HB3 LYS 24 14.009 11.231 -2.171 200 HG2 LYS 24 HG2 LYS 24 14.147 8.800 -3.982 201 HG3 LYS 24 HG3 LYS 24 14.176 10.490 -4.494 202 HD2 LYS 24 HD2 LYS 24 16.325 10.757 -3.150 203 HD3 LYS 24 HD3 LYS 24 16.304 9.008 -2.898 204 HE2 LYS 24 HE2 LYS 24 17.800 9.554 -4.744 205 HE3 LYS 24 HE3 LYS 24 16.399 8.686 -5.373 206 HZ1 LYS 24 HZ1 LYS 24 15.454 10.792 -6.085 207 HZ2 LYS 24 HZ2 LYS 24 16.990 10.578 -6.756 208 HZ3 LYS 24 HZ3 LYS 24 16.779 11.634 -5.455 209 H HIS 25 H HIS 25 11.832 8.737 -0.031 210 HA HIS 25 HA HIS 25 11.674 11.030 1.748 211 HB2 HIS 25 HB2 HIS 25 9.665 10.062 0.586 212 HB3 HIS 25 HB3 HIS 25 9.835 8.592 1.529 213 HD2 HIS 25 HD2 HIS 25 9.135 8.872 4.293 214 HE1 HIS 25 HE1 HIS 25 7.010 12.466 3.631 215 HE2 HIS 25 HE2 HIS 25 7.365 10.528 5.213 216 H ASP 26 H ASP 26 11.817 7.501 2.175 217 HA ASP 26 HA ASP 26 13.728 7.621 4.304 218 HB2 ASP 26 HB2 ASP 26 11.626 8.016 5.601 219 HB3 ASP 26 HB3 ASP 26 10.945 6.530 4.955 220 HA PRO 27 HA PRO 27 14.176 3.880 1.638 221 HB2 PRO 27 HB2 PRO 27 16.872 3.554 1.930 222 HB3 PRO 27 HB3 PRO 27 16.184 4.836 0.911 223 HG2 PRO 27 HG2 PRO 27 17.212 5.041 3.730 224 HG3 PRO 27 HG3 PRO 27 17.540 6.102 2.338 225 HD2 PRO 27 HD2 PRO 27 15.679 6.729 4.229 226 HD3 PRO 27 HD3 PRO 27 15.498 7.211 2.527 227 H ASN 28 H ASN 28 14.386 4.197 5.000 228 HA ASN 28 HA ASN 28 15.258 1.526 5.672 229 HB2 ASN 28 HB2 ASN 28 13.718 3.548 7.371 230 HB3 ASN 28 HB3 ASN 28 14.493 2.083 7.963 231 HD21 ASN 28 HD21 ASN 28 14.993 5.334 6.845 232 HD22 ASN 28 HD22 ASN 28 16.658 5.447 7.291 233 H VAL 29 H VAL 29 12.258 3.057 4.786 234 HA VAL 29 HA VAL 29 10.549 0.798 5.375 235 HB VAL 29 HB VAL 29 10.038 3.099 3.421 236 HG11 VAL 29 HG11 VAL 29 7.645 2.558 3.726 237 HG12 VAL 29 HG12 VAL 29 8.078 1.210 4.781 238 HG13 VAL 29 HG13 VAL 29 8.531 1.175 3.077 239 HG21 VAL 29 HG21 VAL 29 10.482 4.023 5.634 240 HG22 VAL 29 HG22 VAL 29 9.310 2.927 6.363 241 HG23 VAL 29 HG23 VAL 29 8.768 4.186 5.250 242 H LYS 30 H LYS 30 10.637 -1.060 4.218 243 HA LYS 30 HA LYS 30 12.024 -1.269 1.700 244 HB2 LYS 30 HB2 LYS 30 10.689 -3.255 3.513 245 HB3 LYS 30 HB3 LYS 30 11.039 -3.722 1.845 246 HG2 LYS 30 HG2 LYS 30 13.429 -2.951 2.264 247 HG3 LYS 30 HG3 LYS 30 13.007 -2.862 3.976 248 HD2 LYS 30 HD2 LYS 30 12.688 -5.361 2.285 249 HD3 LYS 30 HD3 LYS 30 14.119 -4.987 3.225 250 HE2 LYS 30 HE2 LYS 30 12.732 -4.961 5.299 251 HE3 LYS 30 HE3 LYS 30 11.319 -5.394 4.329 252 HZ1 LYS 30 HZ1 LYS 30 12.260 -7.337 5.371 253 HZ2 LYS 30 HZ2 LYS 30 13.774 -7.034 4.684 254 HZ3 LYS 30 HZ3 LYS 30 12.463 -7.449 3.696 255 H THR 31 H THR 31 11.113 -2.366 -0.165 256 HA THR 31 HA THR 31 8.305 -1.622 -0.726 257 HB THR 31 HB THR 31 9.115 -0.915 -3.069 258 HG1 THR 31 HG1 THR 31 11.616 -0.499 -1.789 259 HG21 THR 31 HG21 THR 31 9.684 1.380 -2.375 260 HG22 THR 31 HG22 THR 31 10.003 0.820 -0.732 261 HG23 THR 31 HG23 THR 31 8.364 0.749 -1.385 262 H VAL 32 H VAL 32 7.181 -3.273 -1.508 263 HA VAL 32 HA VAL 32 8.573 -5.595 -2.733 264 HB VAL 32 HB VAL 32 6.100 -5.609 -0.933 265 HG11 VAL 32 HG11 VAL 32 6.184 -8.071 -1.080 266 HG12 VAL 32 HG12 VAL 32 7.525 -7.968 -2.224 267 HG13 VAL 32 HG13 VAL 32 5.932 -7.352 -2.674 268 HG21 VAL 32 HG21 VAL 32 7.504 -6.838 0.679 269 HG22 VAL 32 HG22 VAL 32 8.193 -5.251 0.325 270 HG23 VAL 32 HG23 VAL 32 8.890 -6.698 -0.406 271 HA PRO 33 HA PRO 33 5.707 -4.460 -6.134 272 HB2 PRO 33 HB2 PRO 33 6.758 -6.121 -8.039 273 HB3 PRO 33 HB3 PRO 33 7.588 -4.636 -7.525 274 HG2 PRO 33 HG2 PRO 33 8.083 -7.466 -6.633 275 HG3 PRO 33 HG3 PRO 33 9.260 -6.230 -7.137 276 HD2 PRO 33 HD2 PRO 33 8.748 -6.742 -4.518 277 HD3 PRO 33 HD3 PRO 33 9.174 -5.116 -5.098 278 H THR 34 H THR 34 4.409 -5.800 -7.757 279 HA THR 34 HA THR 34 2.542 -7.423 -6.369 280 HB THR 34 HB THR 34 1.441 -7.676 -8.600 281 HG1 THR 34 HG1 THR 34 2.607 -6.369 -10.314 282 HG21 THR 34 HG21 THR 34 2.432 -4.846 -8.103 283 HG22 THR 34 HG22 THR 34 1.011 -5.588 -7.365 284 HG23 THR 34 HG23 THR 34 1.048 -5.293 -9.104 285 H LYS 35 H LYS 35 5.253 -8.171 -8.469 286 HA LYS 35 HA LYS 35 4.663 -10.850 -9.162 287 HB2 LYS 35 HB2 LYS 35 6.993 -11.018 -9.861 288 HB3 LYS 35 HB3 LYS 35 6.363 -9.443 -10.327 289 HG2 LYS 35 HG2 LYS 35 7.492 -8.439 -8.335 290 HG3 LYS 35 HG3 LYS 35 8.178 -10.015 -7.955 291 HD2 LYS 35 HD2 LYS 35 8.718 -8.451 -10.512 292 HD3 LYS 35 HD3 LYS 35 9.773 -8.475 -9.104 293 HE2 LYS 35 HE2 LYS 35 10.735 -9.991 -10.654 294 HE3 LYS 35 HE3 LYS 35 9.956 -11.007 -9.444 295 HZ1 LYS 35 HZ1 LYS 35 8.144 -11.400 -10.957 296 HZ2 LYS 35 HZ2 LYS 35 9.593 -11.751 -11.750 297 HZ3 LYS 35 HZ3 LYS 35 8.775 -10.310 -12.086 298 H ASP 36 H ASP 36 5.824 -9.433 -6.279 299 HA ASP 36 HA ASP 36 6.806 -11.940 -5.099 300 HB2 ASP 36 HB2 ASP 36 6.979 -9.002 -4.305 301 HB3 ASP 36 HB3 ASP 36 7.443 -10.290 -3.204 302 H LYS 37 H LYS 37 4.052 -11.834 -5.640 303 HA LYS 37 HA LYS 37 2.262 -10.766 -3.825 304 HB2 LYS 37 HB2 LYS 37 1.685 -11.796 -6.003 305 HB3 LYS 37 HB3 LYS 37 2.049 -13.393 -5.357 306 HG2 LYS 37 HG2 LYS 37 0.158 -13.183 -3.769 307 HG3 LYS 37 HG3 LYS 37 -0.182 -11.566 -4.391 308 HD2 LYS 37 HD2 LYS 37 -1.733 -13.152 -5.389 309 HD3 LYS 37 HD3 LYS 37 -0.648 -12.545 -6.640 310 HE2 LYS 37 HE2 LYS 37 -1.010 -14.955 -6.889 311 HE3 LYS 37 HE3 LYS 37 0.673 -14.637 -6.480 312 HZ1 LYS 37 HZ1 LYS 37 0.198 -15.257 -4.197 313 HZ2 LYS 37 HZ2 LYS 37 -0.229 -16.507 -5.249 314 HZ3 LYS 37 HZ3 LYS 37 -1.427 -15.526 -4.579 315 H GLU 38 H GLU 38 3.878 -13.916 -3.630 316 HA GLU 38 HA GLU 38 2.620 -14.886 -1.217 317 HB2 GLU 38 HB2 GLU 38 5.228 -15.695 -2.596 318 HB3 GLU 38 HB3 GLU 38 4.390 -16.644 -1.362 319 HG2 GLU 38 HG2 GLU 38 2.536 -17.111 -2.836 320 HG3 GLU 38 HG3 GLU 38 3.107 -15.935 -4.022 321 H LYS 39 H LYS 39 5.581 -13.389 -2.151 322 HA LYS 39 HA LYS 39 7.112 -13.619 0.182 323 HB2 LYS 39 HB2 LYS 39 7.967 -13.405 -2.098 324 HB3 LYS 39 HB3 LYS 39 7.263 -11.813 -2.261 325 HG2 LYS 39 HG2 LYS 39 9.342 -12.290 -0.162 326 HG3 LYS 39 HG3 LYS 39 9.831 -12.159 -1.848 327 HD2 LYS 39 HD2 LYS 39 8.566 -9.924 -1.900 328 HD3 LYS 39 HD3 LYS 39 8.445 -10.055 -0.149 329 HE2 LYS 39 HE2 LYS 39 10.304 -8.625 -0.658 330 HE3 LYS 39 HE3 LYS 39 10.970 -10.150 -0.072 331 HZ1 LYS 39 HZ1 LYS 39 10.713 -9.375 -2.931 332 HZ2 LYS 39 HZ2 LYS 39 11.407 -10.802 -2.345 333 HZ3 LYS 39 HZ3 LYS 39 12.137 -9.315 -2.023 334 H VAL 40 H VAL 40 4.699 -11.275 -0.818 335 HA VAL 40 HA VAL 40 5.255 -9.048 0.761 336 HB VAL 40 HB VAL 40 2.469 -10.164 0.146 337 HG11 VAL 40 HG11 VAL 40 2.401 -8.487 1.921 338 HG12 VAL 40 HG12 VAL 40 1.708 -7.816 0.444 339 HG13 VAL 40 HG13 VAL 40 3.340 -7.363 0.937 340 HG21 VAL 40 HG21 VAL 40 3.726 -9.814 -1.938 341 HG22 VAL 40 HG22 VAL 40 4.087 -8.156 -1.466 342 HG23 VAL 40 HG23 VAL 40 2.422 -8.638 -1.795 343 H LYS 41 H LYS 41 3.247 -11.888 1.523 344 HA LYS 41 HA LYS 41 2.321 -11.154 4.052 345 HB2 LYS 41 HB2 LYS 41 1.318 -12.938 2.655 346 HB3 LYS 41 HB3 LYS 41 2.755 -13.932 2.868 347 HG2 LYS 41 HG2 LYS 41 2.283 -14.057 5.305 348 HG3 LYS 41 HG3 LYS 41 0.817 -13.103 5.050 349 HD2 LYS 41 HD2 LYS 41 -0.084 -14.889 3.576 350 HD3 LYS 41 HD3 LYS 41 1.382 -15.840 3.834 351 HE2 LYS 41 HE2 LYS 41 0.853 -15.988 6.244 352 HE3 LYS 41 HE3 LYS 41 -0.612 -15.038 5.982 353 HZ1 LYS 41 HZ1 LYS 41 -0.030 -17.728 4.859 354 HZ2 LYS 41 HZ2 LYS 41 -1.395 -16.805 4.483 355 HZ3 LYS 41 HZ3 LYS 41 -1.160 -17.355 6.062 356 H GLU 42 H GLU 42 5.220 -12.853 3.039 357 HA GLU 42 HA GLU 42 6.222 -13.624 5.587 358 HB2 GLU 42 HB2 GLU 42 7.727 -13.151 2.972 359 HB3 GLU 42 HB3 GLU 42 8.331 -14.065 4.356 360 HG2 GLU 42 HG2 GLU 42 6.545 -15.742 4.046 361 HG3 GLU 42 HG3 GLU 42 5.898 -14.817 2.692 362 H GLU 43 H GLU 43 6.791 -10.811 3.463 363 HA GLU 43 HA GLU 43 8.783 -9.573 5.060 364 HB2 GLU 43 HB2 GLU 43 6.973 -8.314 2.967 365 HB3 GLU 43 HB3 GLU 43 8.385 -7.544 3.682 366 HG2 GLU 43 HG2 GLU 43 8.313 -9.934 1.862 367 HG3 GLU 43 HG3 GLU 43 8.973 -8.341 1.526 368 H ILE 44 H ILE 44 5.288 -9.486 5.230 369 HA ILE 44 HA ILE 44 4.892 -7.184 6.781 370 HB ILE 44 HB ILE 44 3.370 -9.834 6.770 371 HG12 ILE 44 HG12 ILE 44 2.738 -7.130 5.489 372 HG13 ILE 44 HG13 ILE 44 3.310 -8.559 4.638 373 HG21 ILE 44 HG21 ILE 44 1.516 -8.701 7.949 374 HG22 ILE 44 HG22 ILE 44 2.499 -7.246 8.113 375 HG23 ILE 44 HG23 ILE 44 2.975 -8.728 8.945 376 HD11 ILE 44 HD11 ILE 44 0.958 -8.272 4.291 377 HD12 ILE 44 HD12 ILE 44 0.653 -8.250 6.027 378 HD13 ILE 44 HD13 ILE 44 1.234 -9.725 5.248 379 H GLU 45 H GLU 45 5.658 -10.532 7.773 380 HA GLU 45 HA GLU 45 5.814 -10.039 10.584 381 HB2 GLU 45 HB2 GLU 45 5.404 -12.301 9.632 382 HB3 GLU 45 HB3 GLU 45 7.029 -12.305 8.953 383 HG2 GLU 45 HG2 GLU 45 7.922 -12.083 11.315 384 HG3 GLU 45 HG3 GLU 45 6.275 -12.315 11.893 385 H LYS 46 H LYS 46 8.121 -9.923 7.941 386 HA LYS 46 HA LYS 46 10.496 -9.744 9.549 387 HB2 LYS 46 HB2 LYS 46 10.021 -9.155 6.604 388 HB3 LYS 46 HB3 LYS 46 11.608 -9.265 7.370 389 HG2 LYS 46 HG2 LYS 46 11.232 -11.620 7.925 390 HG3 LYS 46 HG3 LYS 46 9.582 -11.530 7.307 391 HD2 LYS 46 HD2 LYS 46 11.049 -12.634 5.687 392 HD3 LYS 46 HD3 LYS 46 10.437 -11.111 5.039 393 HE2 LYS 46 HE2 LYS 46 12.611 -10.031 5.652 394 HE3 LYS 46 HE3 LYS 46 13.205 -11.605 6.186 395 HZ1 LYS 46 HZ1 LYS 46 13.935 -11.151 3.958 396 HZ2 LYS 46 HZ2 LYS 46 12.349 -10.895 3.436 397 HZ3 LYS 46 HZ3 LYS 46 12.837 -12.436 3.929 398 H ALA 47 H ALA 47 8.294 -7.400 8.120 399 HA ALA 47 HA ALA 47 9.839 -5.045 8.642 400 HB1 ALA 47 HB1 ALA 47 6.832 -5.356 8.269 401 HB2 ALA 47 HB2 ALA 47 8.009 -5.054 6.989 402 HB3 ALA 47 HB3 ALA 47 7.727 -3.831 8.228 403 H ARG 48 H ARG 48 7.413 -6.918 10.399 404 HA ARG 48 HA ARG 48 7.190 -5.392 12.762 405 HB2 ARG 48 HB2 ARG 48 6.934 -8.373 12.213 406 HB3 ARG 48 HB3 ARG 48 6.583 -7.675 13.790 407 HG2 ARG 48 HG2 ARG 48 4.702 -6.514 13.002 408 HG3 ARG 48 HG3 ARG 48 5.187 -6.675 11.312 409 HD2 ARG 48 HD2 ARG 48 3.258 -8.155 12.032 410 HD3 ARG 48 HD3 ARG 48 4.603 -8.981 11.258 411 HE ARG 48 HE ARG 48 4.927 -10.183 13.154 412 HH11 ARG 48 HH11 ARG 48 2.924 -7.429 14.057 413 HH12 ARG 48 HH12 ARG 48 2.641 -8.016 15.662 414 HH21 ARG 48 HH21 ARG 48 4.553 -10.931 15.231 415 HH22 ARG 48 HH22 ARG 48 3.571 -10.005 16.327 416 H LYS 49 H LYS 49 9.476 -7.887 11.749 417 HA LYS 49 HA LYS 49 10.834 -8.223 14.218 418 HB2 LYS 49 HB2 LYS 49 10.728 -9.779 12.097 419 HB3 LYS 49 HB3 LYS 49 12.068 -8.822 11.494 420 HG2 LYS 49 HG2 LYS 49 12.121 -10.320 14.136 421 HG3 LYS 49 HG3 LYS 49 12.685 -11.016 12.619 422 HD2 LYS 49 HD2 LYS 49 14.444 -9.309 12.455 423 HD3 LYS 49 HD3 LYS 49 13.824 -8.494 13.890 424 HE2 LYS 49 HE2 LYS 49 14.344 -10.588 15.202 425 HE3 LYS 49 HE3 LYS 49 15.139 -11.224 13.759 426 HZ1 LYS 49 HZ1 LYS 49 16.747 -10.218 15.205 427 HZ2 LYS 49 HZ2 LYS 49 15.888 -8.764 15.246 428 HZ3 LYS 49 HZ3 LYS 49 16.609 -9.273 13.809 429 H GLN 50 H GLN 50 11.364 -6.135 11.395 430 HA GLN 50 HA GLN 50 13.768 -4.920 12.536 431 HB2 GLN 50 HB2 GLN 50 12.267 -4.310 9.949 432 HB3 GLN 50 HB3 GLN 50 13.787 -3.560 10.436 433 HG2 GLN 50 HG2 GLN 50 13.336 -6.495 9.825 434 HG3 GLN 50 HG3 GLN 50 14.229 -5.339 8.840 435 HE21 GLN 50 HE21 GLN 50 15.048 -7.896 10.149 436 HE22 GLN 50 HE22 GLN 50 16.445 -7.506 11.084 437 H GLY 51 H GLY 51 10.444 -4.474 12.832 438 HA2 GLY 51 HA2 GLY 51 9.211 -2.995 14.041 439 HA3 GLY 51 HA3 GLY 51 10.713 -2.323 14.644 440 H ARG 52 H ARG 52 9.650 -2.451 11.284 441 HA ARG 52 HA ARG 52 9.249 0.462 11.193 442 HB2 ARG 52 HB2 ARG 52 11.119 -1.132 9.372 443 HB3 ARG 52 HB3 ARG 52 10.600 0.522 9.047 444 HG2 ARG 52 HG2 ARG 52 11.623 1.182 11.269 445 HG3 ARG 52 HG3 ARG 52 12.307 -0.444 11.361 446 HD2 ARG 52 HD2 ARG 52 12.825 1.578 9.165 447 HD3 ARG 52 HD3 ARG 52 13.922 1.202 10.491 448 HE ARG 52 HE ARG 52 13.259 -0.538 8.206 449 HH11 ARG 52 HH11 ARG 52 15.296 0.121 11.001 450 HH12 ARG 52 HH12 ARG 52 16.470 -1.088 10.579 451 HH21 ARG 52 HH21 ARG 52 14.791 -2.119 7.681 452 HH22 ARG 52 HH22 ARG 52 16.179 -2.356 8.696 453 HA PRO 53 HA PRO 53 5.922 -0.615 8.341 454 HB2 PRO 53 HB2 PRO 53 5.817 1.623 6.736 455 HB3 PRO 53 HB3 PRO 53 5.233 1.605 8.413 456 HG2 PRO 53 HG2 PRO 53 7.852 2.593 7.351 457 HG3 PRO 53 HG3 PRO 53 6.765 3.345 8.541 458 HD2 PRO 53 HD2 PRO 53 8.979 1.972 9.292 459 HD3 PRO 53 HD3 PRO 53 7.501 1.986 10.280 460 H ILE 54 H ILE 54 5.424 -0.578 5.915 461 HA ILE 54 HA ILE 54 7.663 -1.109 4.130 462 HB ILE 54 HB ILE 54 7.518 -3.264 5.239 463 HG12 ILE 54 HG12 ILE 54 6.166 -3.365 2.505 464 HG13 ILE 54 HG13 ILE 54 7.895 -3.426 2.831 465 HG21 ILE 54 HG21 ILE 54 4.537 -3.316 4.667 466 HG22 ILE 54 HG22 ILE 54 5.278 -3.052 6.245 467 HG23 ILE 54 HG23 ILE 54 5.468 -4.607 5.433 468 HD11 ILE 54 HD11 ILE 54 5.864 -5.535 3.552 469 HD12 ILE 54 HD12 ILE 54 7.586 -5.595 3.939 470 HD13 ILE 54 HD13 ILE 54 7.059 -5.599 2.260 471 H VAL 55 H VAL 55 7.075 -0.399 2.133 472 HA VAL 55 HA VAL 55 4.231 0.001 1.476 473 HB VAL 55 HB VAL 55 6.731 1.082 0.092 474 HG11 VAL 55 HG11 VAL 55 5.181 2.489 -1.227 475 HG12 VAL 55 HG12 VAL 55 3.802 1.684 -0.477 476 HG13 VAL 55 HG13 VAL 55 4.892 0.773 -1.524 477 HG21 VAL 55 HG21 VAL 55 4.683 2.506 1.835 478 HG22 VAL 55 HG22 VAL 55 6.045 3.269 1.008 479 HG23 VAL 55 HG23 VAL 55 6.337 2.105 2.301 480 H VAL 56 H VAL 56 3.431 -1.821 0.670 481 HA VAL 56 HA VAL 56 4.790 -3.411 -1.380 482 HB VAL 56 HB VAL 56 2.079 -3.819 -0.009 483 HG11 VAL 56 HG11 VAL 56 3.705 -5.735 -1.742 484 HG12 VAL 56 HG12 VAL 56 2.201 -4.933 -2.204 485 HG13 VAL 56 HG13 VAL 56 2.201 -6.124 -0.903 486 HG21 VAL 56 HG21 VAL 56 4.763 -5.142 0.610 487 HG22 VAL 56 HG22 VAL 56 3.217 -5.525 1.370 488 HG23 VAL 56 HG23 VAL 56 3.947 -3.937 1.613 489 H PHE 57 H PHE 57 4.342 -3.032 -3.485 490 HA PHE 57 HA PHE 57 2.076 -1.391 -4.311 491 HB2 PHE 57 HB2 PHE 57 4.398 -2.556 -5.917 492 HB3 PHE 57 HB3 PHE 57 3.198 -1.411 -6.528 493 HD1 PHE 57 HD1 PHE 57 3.015 0.878 -5.390 494 HD2 PHE 57 HD2 PHE 57 6.344 -1.745 -4.772 495 HE1 PHE 57 HE1 PHE 57 4.333 2.749 -4.506 496 HE2 PHE 57 HE2 PHE 57 7.652 0.140 -3.898 497 HZ PHE 57 HZ PHE 57 6.647 2.382 -3.755 498 H VAL 58 H VAL 58 0.242 -2.433 -4.523 499 HA VAL 58 HA VAL 58 0.034 -5.131 -5.713 500 HB VAL 58 HB VAL 58 -2.089 -3.439 -4.282 501 HG11 VAL 58 HG11 VAL 58 -3.089 -5.033 -5.887 502 HG12 VAL 58 HG12 VAL 58 -3.459 -5.487 -4.223 503 HG13 VAL 58 HG13 VAL 58 -2.217 -6.362 -5.121 504 HG21 VAL 58 HG21 VAL 58 -1.807 -4.995 -2.368 505 HG22 VAL 58 HG22 VAL 58 -0.317 -4.114 -2.717 506 HG23 VAL 58 HG23 VAL 58 -0.484 -5.797 -3.224 507 H ARG 59 H ARG 59 -1.390 -5.404 -7.587 508 HA ARG 59 HA ARG 59 -1.488 -3.088 -9.349 509 HB2 ARG 59 HB2 ARG 59 -0.799 -5.330 -10.208 510 HB3 ARG 59 HB3 ARG 59 -2.402 -5.961 -9.844 511 HG2 ARG 59 HG2 ARG 59 -3.393 -4.391 -11.479 512 HG3 ARG 59 HG3 ARG 59 -1.789 -3.753 -11.843 513 HD2 ARG 59 HD2 ARG 59 -2.519 -5.336 -13.565 514 HD3 ARG 59 HD3 ARG 59 -1.103 -5.954 -12.713 515 HE ARG 59 HE ARG 59 -3.272 -7.032 -11.406 516 HH11 ARG 59 HH11 ARG 59 -2.110 -7.179 -14.740 517 HH12 ARG 59 HH12 ARG 59 -2.772 -8.761 -15.013 518 HH21 ARG 59 HH21 ARG 59 -4.079 -9.086 -11.777 519 HH22 ARG 59 HH22 ARG 59 -3.890 -9.840 -13.329 520 H GLY 60 H GLY 60 -3.368 -2.199 -10.244 521 HA2 GLY 60 HA2 GLY 60 -5.755 -2.082 -8.663 522 HA3 GLY 60 HA3 GLY 60 -5.472 -1.308 -10.221 523 H GLY 61 H GLY 61 -6.527 -4.201 -8.632 524 HA2 GLY 61 HA2 GLY 61 -8.464 -5.233 -10.083 525 HA3 GLY 61 HA3 GLY 61 -7.103 -5.670 -11.114 526 H ASP 62 H ASP 62 -5.370 -5.913 -8.645 527 HA ASP 62 HA ASP 62 -6.137 -8.591 -7.720 528 HB2 ASP 62 HB2 ASP 62 -3.674 -6.829 -7.340 529 HB3 ASP 62 HB3 ASP 62 -3.885 -8.323 -6.429 530 H ASP 63 H ASP 63 -8.028 -6.849 -6.978 531 HA ASP 63 HA ASP 63 -7.699 -5.522 -4.480 532 HB2 ASP 63 HB2 ASP 63 -9.441 -4.951 -6.195 533 HB3 ASP 63 HB3 ASP 63 -10.255 -6.473 -5.856 534 H GLU 64 H GLU 64 -8.668 -8.736 -5.468 535 HA GLU 64 HA GLU 64 -9.577 -9.966 -3.154 536 HB2 GLU 64 HB2 GLU 64 -9.502 -11.053 -5.387 537 HB3 GLU 64 HB3 GLU 64 -7.746 -11.067 -5.337 538 HG2 GLU 64 HG2 GLU 64 -7.949 -12.571 -3.271 539 HG3 GLU 64 HG3 GLU 64 -9.664 -12.702 -3.659 540 H ARG 65 H ARG 65 -6.214 -9.692 -4.339 541 HA ARG 65 HA ARG 65 -4.992 -10.885 -2.047 542 HB2 ARG 65 HB2 ARG 65 -3.812 -9.239 -4.331 543 HB3 ARG 65 HB3 ARG 65 -2.832 -9.918 -3.034 544 HG2 ARG 65 HG2 ARG 65 -2.629 -11.439 -4.820 545 HG3 ARG 65 HG3 ARG 65 -3.743 -12.203 -3.692 546 HD2 ARG 65 HD2 ARG 65 -5.628 -11.266 -5.171 547 HD3 ARG 65 HD3 ARG 65 -4.368 -10.883 -6.349 548 HE ARG 65 HE ARG 65 -5.078 -13.598 -5.407 549 HH11 ARG 65 HH11 ARG 65 -3.771 -11.529 -7.928 550 HH12 ARG 65 HH12 ARG 65 -3.583 -12.834 -9.054 551 HH21 ARG 65 HH21 ARG 65 -4.822 -15.278 -6.871 552 HH22 ARG 65 HH22 ARG 65 -4.181 -14.958 -8.454 553 H ALA 66 H ALA 66 -5.788 -7.601 -2.980 554 HA ALA 66 HA ALA 66 -4.218 -6.150 -1.172 555 HB1 ALA 66 HB1 ALA 66 -6.944 -5.417 -2.294 556 HB2 ALA 66 HB2 ALA 66 -5.386 -5.112 -3.063 557 HB3 ALA 66 HB3 ALA 66 -5.789 -4.299 -1.552 558 H LYS 67 H LYS 67 -7.555 -7.427 -0.794 559 HA LYS 67 HA LYS 67 -7.780 -6.474 1.912 560 HB2 LYS 67 HB2 LYS 67 -9.904 -7.917 1.979 561 HB3 LYS 67 HB3 LYS 67 -9.867 -6.594 0.833 562 HG2 LYS 67 HG2 LYS 67 -10.496 -8.017 -0.791 563 HG3 LYS 67 HG3 LYS 67 -8.957 -8.845 -0.630 564 HD2 LYS 67 HD2 LYS 67 -11.529 -9.548 0.840 565 HD3 LYS 67 HD3 LYS 67 -10.843 -10.421 -0.532 566 HE2 LYS 67 HE2 LYS 67 -8.799 -10.861 0.905 567 HE3 LYS 67 HE3 LYS 67 -9.692 -10.186 2.264 568 HZ1 LYS 67 HZ1 LYS 67 -9.735 -12.626 2.140 569 HZ2 LYS 67 HZ2 LYS 67 -10.581 -12.531 0.680 570 HZ3 LYS 67 HZ3 LYS 67 -11.283 -11.944 2.098 571 H ASP 68 H ASP 68 -6.623 -9.489 0.460 572 HA ASP 68 HA ASP 68 -6.750 -11.120 2.811 573 HB2 ASP 68 HB2 ASP 68 -5.006 -11.339 0.320 574 HB3 ASP 68 HB3 ASP 68 -4.904 -12.504 1.636 575 H ILE 69 H ILE 69 -4.093 -9.342 1.302 576 HA ILE 69 HA ILE 69 -2.083 -9.871 3.211 577 HB ILE 69 HB ILE 69 -2.376 -7.643 1.148 578 HG12 ILE 69 HG12 ILE 69 -0.646 -10.163 1.020 579 HG13 ILE 69 HG13 ILE 69 -2.248 -10.044 0.304 580 HG21 ILE 69 HG21 ILE 69 0.048 -7.241 1.397 581 HG22 ILE 69 HG22 ILE 69 0.099 -8.384 2.739 582 HG23 ILE 69 HG23 ILE 69 -0.830 -6.889 2.887 583 HD11 ILE 69 HD11 ILE 69 -1.459 -8.276 -1.188 584 HD12 ILE 69 HD12 ILE 69 -0.525 -9.760 -1.365 585 HD13 ILE 69 HD13 ILE 69 0.156 -8.394 -0.481 586 H ALA 70 H ALA 70 -4.351 -7.171 2.779 587 HA ALA 70 HA ALA 70 -3.501 -5.523 4.906 588 HB1 ALA 70 HB1 ALA 70 -5.666 -4.405 4.631 589 HB2 ALA 70 HB2 ALA 70 -6.256 -5.752 3.652 590 HB3 ALA 70 HB3 ALA 70 -4.935 -4.744 3.064 591 H GLU 71 H GLU 71 -5.801 -8.211 4.743 592 HA GLU 71 HA GLU 71 -6.890 -7.984 7.354 593 HB2 GLU 71 HB2 GLU 71 -7.984 -9.264 5.554 594 HB3 GLU 71 HB3 GLU 71 -6.663 -10.427 5.553 595 HG2 GLU 71 HG2 GLU 71 -7.261 -11.036 7.909 596 HG3 GLU 71 HG3 GLU 71 -8.632 -9.932 7.815 597 H TYR 72 H TYR 72 -4.200 -9.904 6.010 598 HA TYR 72 HA TYR 72 -3.512 -11.217 8.439 599 HB2 TYR 72 HB2 TYR 72 -2.773 -12.155 6.295 600 HB3 TYR 72 HB3 TYR 72 -1.822 -10.712 5.946 601 HD1 TYR 72 HD1 TYR 72 -2.087 -13.570 8.388 602 HD2 TYR 72 HD2 TYR 72 0.458 -10.601 6.669 603 HE1 TYR 72 HE1 TYR 72 -0.150 -14.542 9.549 604 HE2 TYR 72 HE2 TYR 72 2.385 -11.574 7.820 605 HH TYR 72 HH TYR 72 2.766 -12.948 9.907 606 H ALA 73 H ALA 73 -2.474 -8.193 6.940 607 HA ALA 73 HA ALA 73 -0.361 -7.492 8.654 608 HB1 ALA 73 HB1 ALA 73 -0.789 -6.368 6.518 609 HB2 ALA 73 HB2 ALA 73 -0.750 -5.193 7.834 610 HB3 ALA 73 HB3 ALA 73 -2.296 -5.702 7.148 611 H GLN 74 H GLN 74 -3.835 -6.630 8.788 612 HA GLN 74 HA GLN 74 -3.723 -5.266 11.287 613 HB2 GLN 74 HB2 GLN 74 -5.504 -4.915 9.552 614 HB3 GLN 74 HB3 GLN 74 -6.161 -6.504 9.936 615 HG2 GLN 74 HG2 GLN 74 -6.749 -5.781 12.178 616 HG3 GLN 74 HG3 GLN 74 -5.914 -4.245 11.944 617 HE21 GLN 74 HE21 GLN 74 -8.748 -6.111 11.075 618 HE22 GLN 74 HE22 GLN 74 -9.669 -4.783 10.466 619 H LYS 75 H LYS 75 -4.126 -8.607 10.371 620 HA LYS 75 HA LYS 75 -5.011 -9.741 12.812 621 HB2 LYS 75 HB2 LYS 75 -5.038 -10.915 10.606 622 HB3 LYS 75 HB3 LYS 75 -3.287 -10.973 10.620 623 HG2 LYS 75 HG2 LYS 75 -3.669 -13.097 11.373 624 HG3 LYS 75 HG3 LYS 75 -3.737 -12.292 12.937 625 HD2 LYS 75 HD2 LYS 75 -6.149 -12.991 11.215 626 HD3 LYS 75 HD3 LYS 75 -5.578 -13.933 12.588 627 HE2 LYS 75 HE2 LYS 75 -6.027 -11.970 14.065 628 HE3 LYS 75 HE3 LYS 75 -6.687 -11.112 12.672 629 HZ1 LYS 75 HZ1 LYS 75 -7.735 -13.633 13.845 630 HZ2 LYS 75 HZ2 LYS 75 -8.333 -12.905 12.443 631 HZ3 LYS 75 HZ3 LYS 75 -8.460 -12.105 13.928 632 H GLU 76 H GLU 76 -1.809 -8.872 11.568 633 HA GLU 76 HA GLU 76 -0.310 -9.938 13.798 634 HB2 GLU 76 HB2 GLU 76 0.472 -7.895 11.675 635 HB3 GLU 76 HB3 GLU 76 1.584 -8.676 12.790 636 HG2 GLU 76 HG2 GLU 76 -0.008 -10.068 10.623 637 HG3 GLU 76 HG3 GLU 76 1.692 -9.633 10.533 638 H GLY 77 H GLY 77 -2.389 -7.343 13.558 639 HA2 GLY 77 HA2 GLY 77 -2.965 -5.777 15.151 640 HA3 GLY 77 HA3 GLY 77 -1.494 -6.136 16.045 641 H LEU 78 H LEU 78 -1.272 -5.443 12.646 642 HA LEU 78 HA LEU 78 0.313 -3.040 13.227 643 HB2 LEU 78 HB2 LEU 78 -0.098 -4.355 10.510 644 HB3 LEU 78 HB3 LEU 78 1.164 -3.222 10.978 645 HG LEU 78 HG LEU 78 0.897 -6.136 11.771 646 HD11 LEU 78 HD11 LEU 78 3.078 -4.669 10.265 647 HD12 LEU 78 HD12 LEU 78 1.857 -5.738 9.569 648 HD13 LEU 78 HD13 LEU 78 3.061 -6.388 10.673 649 HD21 LEU 78 HD21 LEU 78 2.917 -4.155 12.869 650 HD22 LEU 78 HD22 LEU 78 2.914 -5.900 13.139 651 HD23 LEU 78 HD23 LEU 78 1.601 -4.914 13.769 652 H ARG 79 H ARG 79 -0.028 -1.070 12.078 653 HA ARG 79 HA ARG 79 -2.742 -0.418 11.382 654 HB2 ARG 79 HB2 ARG 79 -0.186 1.204 11.059 655 HB3 ARG 79 HB3 ARG 79 -1.816 1.820 10.797 656 HG2 ARG 79 HG2 ARG 79 -2.308 1.286 13.225 657 HG3 ARG 79 HG3 ARG 79 -0.592 0.918 13.424 658 HD2 ARG 79 HD2 ARG 79 -1.046 3.187 14.174 659 HD3 ARG 79 HD3 ARG 79 -0.042 3.241 12.722 660 HE ARG 79 HE ARG 79 -2.643 3.436 11.819 661 HH11 ARG 79 HH11 ARG 79 -0.608 5.368 13.969 662 HH12 ARG 79 HH12 ARG 79 -1.436 6.848 13.603 663 HH21 ARG 79 HH21 ARG 79 -3.730 5.382 11.386 664 HH22 ARG 79 HH22 ARG 79 -3.205 6.857 12.140 665 H VAL 80 H VAL 80 -3.612 -0.595 9.399 666 HA VAL 80 HA VAL 80 -1.869 -1.215 7.089 667 HB VAL 80 HB VAL 80 -4.885 -1.645 7.313 668 HG11 VAL 80 HG11 VAL 80 -2.870 -2.702 5.292 669 HG12 VAL 80 HG12 VAL 80 -4.057 -1.428 5.000 670 HG13 VAL 80 HG13 VAL 80 -4.594 -3.075 5.324 671 HG21 VAL 80 HG21 VAL 80 -3.744 -3.056 8.979 672 HG22 VAL 80 HG22 VAL 80 -2.677 -3.694 7.726 673 HG23 VAL 80 HG23 VAL 80 -4.407 -4.041 7.670 674 H ILE 81 H ILE 81 -1.747 0.205 5.481 675 HA ILE 81 HA ILE 81 -3.814 2.306 5.153 676 HB ILE 81 HB ILE 81 -0.791 2.576 4.727 677 HG12 ILE 81 HG12 ILE 81 -1.192 4.776 6.061 678 HG13 ILE 81 HG13 ILE 81 -2.772 4.121 6.458 679 HG21 ILE 81 HG21 ILE 81 -1.243 4.804 3.697 680 HG22 ILE 81 HG22 ILE 81 -2.963 4.428 3.686 681 HG23 ILE 81 HG23 ILE 81 -1.843 3.466 2.718 682 HD11 ILE 81 HD11 ILE 81 -0.125 2.877 7.176 683 HD12 ILE 81 HD12 ILE 81 -1.718 2.271 7.630 684 HD13 ILE 81 HD13 ILE 81 -1.154 3.821 8.250 685 H VAL 82 H VAL 82 -4.682 2.349 3.105 686 HA VAL 82 HA VAL 82 -3.461 0.641 0.996 687 HB VAL 82 HB VAL 82 -6.441 1.094 1.553 688 HG11 VAL 82 HG11 VAL 82 -5.151 -0.599 -0.613 689 HG12 VAL 82 HG12 VAL 82 -6.024 0.914 -0.860 690 HG13 VAL 82 HG13 VAL 82 -6.881 -0.511 -0.268 691 HG21 VAL 82 HG21 VAL 82 -5.436 -0.461 3.183 692 HG22 VAL 82 HG22 VAL 82 -4.799 -1.451 1.870 693 HG23 VAL 82 HG23 VAL 82 -6.542 -1.314 2.104 694 H ILE 83 H ILE 83 -2.655 2.045 -0.539 695 HA ILE 83 HA ILE 83 -4.071 4.605 -1.069 696 HB ILE 83 HB ILE 83 -1.278 3.768 -1.983 697 HG12 ILE 83 HG12 ILE 83 -1.955 5.635 0.334 698 HG13 ILE 83 HG13 ILE 83 -1.492 3.946 0.535 699 HG21 ILE 83 HG21 ILE 83 -2.282 5.493 -3.420 700 HG22 ILE 83 HG22 ILE 83 -0.960 6.183 -2.477 701 HG23 ILE 83 HG23 ILE 83 -2.633 6.496 -2.009 702 HD11 ILE 83 HD11 ILE 83 0.226 6.070 -0.735 703 HD12 ILE 83 HD12 ILE 83 0.668 4.387 -0.447 704 HD13 ILE 83 HD13 ILE 83 0.361 5.461 0.909 705 H ILE 84 H ILE 84 -5.589 4.177 -2.589 706 HA ILE 84 HA ILE 84 -5.027 2.362 -4.820 707 HB ILE 84 HB ILE 84 -7.615 3.900 -4.318 708 HG12 ILE 84 HG12 ILE 84 -6.964 1.075 -3.358 709 HG13 ILE 84 HG13 ILE 84 -6.960 2.495 -2.318 710 HG21 ILE 84 HG21 ILE 84 -7.055 1.351 -5.895 711 HG22 ILE 84 HG22 ILE 84 -7.361 2.944 -6.592 712 HG23 ILE 84 HG23 ILE 84 -8.637 2.112 -5.699 713 HD11 ILE 84 HD11 ILE 84 -9.335 1.371 -3.779 714 HD12 ILE 84 HD12 ILE 84 -9.331 2.827 -2.777 715 HD13 ILE 84 HD13 ILE 84 -8.986 1.259 -2.054 716 H VAL 85 H VAL 85 -3.728 3.385 -6.224 717 HA VAL 85 HA VAL 85 -4.403 6.008 -7.335 718 HB VAL 85 HB VAL 85 -2.178 4.112 -8.224 719 HG11 VAL 85 HG11 VAL 85 -1.134 6.160 -9.132 720 HG12 VAL 85 HG12 VAL 85 -2.513 7.115 -8.588 721 HG13 VAL 85 HG13 VAL 85 -2.730 5.885 -9.837 722 HG21 VAL 85 HG21 VAL 85 -1.888 4.543 -5.817 723 HG22 VAL 85 HG22 VAL 85 -1.976 6.283 -6.100 724 HG23 VAL 85 HG23 VAL 85 -0.627 5.350 -6.755 725 H SER 86 H SER 86 -6.216 5.769 -8.571 726 HA SER 86 HA SER 86 -6.070 4.131 -10.981 727 HB2 SER 86 HB2 SER 86 -8.404 3.942 -9.009 728 HB3 SER 86 HB3 SER 86 -8.393 3.237 -10.625 729 HG SER 86 HG SER 86 -6.482 2.591 -8.631 730 H GLN 87 H GLN 87 -6.771 5.322 -12.663 731 HA GLN 87 HA GLN 87 -8.046 7.863 -12.463 732 HB2 GLN 87 HB2 GLN 87 -8.324 7.685 -14.921 733 HB3 GLN 87 HB3 GLN 87 -6.690 7.258 -14.428 734 HG2 GLN 87 HG2 GLN 87 -7.318 4.836 -14.609 735 HG3 GLN 87 HG3 GLN 87 -8.895 5.331 -15.221 736 HE21 GLN 87 HE21 GLN 87 -8.581 4.273 -17.209 737 HE22 GLN 87 HE22 GLN 87 -7.469 4.845 -18.399 738 H ASP 88 H ASP 88 -9.161 4.562 -12.663 739 HA ASP 88 HA ASP 88 -11.943 5.018 -13.053 740 HB2 ASP 88 HB2 ASP 88 -10.463 2.688 -11.747 741 HB3 ASP 88 HB3 ASP 88 -12.188 2.687 -12.107 742 H GLU 89 H GLU 89 -12.740 6.578 -11.685 743 HA GLU 89 HA GLU 89 -12.170 6.743 -8.900 744 HB2 GLU 89 HB2 GLU 89 -14.391 8.072 -10.486 745 HB3 GLU 89 HB3 GLU 89 -13.963 8.462 -8.818 746 HG2 GLU 89 HG2 GLU 89 -11.613 8.986 -9.682 747 HG3 GLU 89 HG3 GLU 89 -12.286 8.870 -11.305 748 H GLU 90 H GLU 90 -14.531 4.994 -10.738 749 HA GLU 90 HA GLU 90 -16.301 4.158 -8.721 750 HB2 GLU 90 HB2 GLU 90 -15.223 2.499 -11.050 751 HB3 GLU 90 HB3 GLU 90 -16.693 2.159 -10.137 752 HG2 GLU 90 HG2 GLU 90 -17.768 4.149 -11.019 753 HG3 GLU 90 HG3 GLU 90 -16.274 4.656 -11.810 754 H ALA 91 H ALA 91 -13.235 2.722 -9.876 755 HA ALA 91 HA ALA 91 -13.096 0.578 -8.022 756 HB1 ALA 91 HB1 ALA 91 -10.792 0.286 -8.846 757 HB2 ALA 91 HB2 ALA 91 -10.868 1.859 -9.649 758 HB3 ALA 91 HB3 ALA 91 -11.917 0.543 -10.182 759 H LEU 92 H LEU 92 -11.921 3.910 -7.942 760 HA LEU 92 HA LEU 92 -10.244 3.821 -5.698 761 HB2 LEU 92 HB2 LEU 92 -12.045 6.056 -6.698 762 HB3 LEU 92 HB3 LEU 92 -10.920 6.265 -5.366 763 HG LEU 92 HG LEU 92 -10.157 5.619 -8.241 764 HD11 LEU 92 HD11 LEU 92 -9.233 7.879 -8.297 765 HD12 LEU 92 HD12 LEU 92 -9.804 8.176 -6.651 766 HD13 LEU 92 HD13 LEU 92 -10.964 7.918 -7.958 767 HD21 LEU 92 HD21 LEU 92 -8.579 4.609 -6.672 768 HD22 LEU 92 HD22 LEU 92 -8.376 6.155 -5.846 769 HD23 LEU 92 HD23 LEU 92 -7.839 5.967 -7.519 770 H ARG 93 H ARG 93 -13.754 4.535 -5.897 771 HA ARG 93 HA ARG 93 -14.076 4.824 -3.064 772 HB2 ARG 93 HB2 ARG 93 -16.099 4.600 -5.320 773 HB3 ARG 93 HB3 ARG 93 -16.558 4.807 -3.630 774 HG2 ARG 93 HG2 ARG 93 -15.025 6.918 -3.696 775 HG3 ARG 93 HG3 ARG 93 -15.161 6.771 -5.453 776 HD2 ARG 93 HD2 ARG 93 -16.850 8.321 -4.512 777 HD3 ARG 93 HD3 ARG 93 -17.607 6.927 -5.293 778 HE ARG 93 HE ARG 93 -17.397 6.154 -2.686 779 HH11 ARG 93 HH11 ARG 93 -18.900 8.949 -4.208 780 HH12 ARG 93 HH12 ARG 93 -20.097 9.118 -2.964 781 HH21 ARG 93 HH21 ARG 93 -18.970 6.382 -1.085 782 HH22 ARG 93 HH22 ARG 93 -20.136 7.667 -1.202 783 H LYS 94 H LYS 94 -14.574 2.163 -5.320 784 HA LYS 94 HA LYS 94 -16.072 0.427 -3.679 785 HB2 LYS 94 HB2 LYS 94 -14.162 -0.129 -5.985 786 HB3 LYS 94 HB3 LYS 94 -15.083 -1.408 -5.192 787 HG2 LYS 94 HG2 LYS 94 -17.181 -0.382 -5.853 788 HG3 LYS 94 HG3 LYS 94 -16.329 1.006 -6.537 789 HD2 LYS 94 HD2 LYS 94 -15.281 -0.464 -8.228 790 HD3 LYS 94 HD3 LYS 94 -16.111 -1.863 -7.535 791 HE2 LYS 94 HE2 LYS 94 -17.436 0.546 -8.826 792 HE3 LYS 94 HE3 LYS 94 -17.286 -1.067 -9.530 793 HZ1 LYS 94 HZ1 LYS 94 -18.813 -0.372 -7.078 794 HZ2 LYS 94 HZ2 LYS 94 -18.645 -1.930 -7.708 795 HZ3 LYS 94 HZ3 LYS 94 -19.467 -0.746 -8.589 796 H GLY 95 H GLY 95 -12.559 0.684 -4.239 797 HA2 GLY 95 HA2 GLY 95 -11.839 -1.250 -2.236 798 HA3 GLY 95 HA3 GLY 95 -10.771 -0.137 -3.068 799 H TYR 96 H TYR 96 -12.273 2.271 -2.277 800 HA TYR 96 HA TYR 96 -10.734 2.929 -0.013 801 HB2 TYR 96 HB2 TYR 96 -11.414 4.673 -1.597 802 HB3 TYR 96 HB3 TYR 96 -13.110 4.403 -1.231 803 HD1 TYR 96 HD2 TYR 96 -9.893 5.613 0.305 804 HD2 TYR 96 HD1 TYR 96 -14.162 5.669 0.528 805 HE1 TYR 96 HE2 TYR 96 -9.781 7.356 2.021 806 HE2 TYR 96 HE1 TYR 96 -14.038 7.409 2.259 807 HH TYR 96 HH TYR 96 -11.151 9.086 3.008 808 H GLU 97 H GLU 97 -14.243 2.556 -0.340 809 HA GLU 97 HA GLU 97 -14.730 2.927 2.461 810 HB2 GLU 97 HB2 GLU 97 -16.582 2.038 0.203 811 HB3 GLU 97 HB3 GLU 97 -17.097 2.562 1.809 812 HG2 GLU 97 HG2 GLU 97 -16.213 4.810 1.416 813 HG3 GLU 97 HG3 GLU 97 -15.543 4.309 -0.132 814 H ASP 98 H ASP 98 -14.397 0.148 0.317 815 HA ASP 98 HA ASP 98 -15.473 -1.862 2.021 816 HB2 ASP 98 HB2 ASP 98 -15.233 -2.267 -0.368 817 HB3 ASP 98 HB3 ASP 98 -13.492 -2.046 -0.281 818 H LYS 99 H LYS 99 -12.161 -0.706 1.487 819 HA LYS 99 HA LYS 99 -10.991 -2.497 3.431 820 HB2 LYS 99 HB2 LYS 99 -9.929 -0.287 1.657 821 HB3 LYS 99 HB3 LYS 99 -8.956 -0.801 3.029 822 HG2 LYS 99 HG2 LYS 99 -8.250 -1.946 0.983 823 HG3 LYS 99 HG3 LYS 99 -8.883 -3.095 2.163 824 HD2 LYS 99 HD2 LYS 99 -11.050 -3.127 0.904 825 HD3 LYS 99 HD3 LYS 99 -10.338 -2.051 -0.300 826 HE2 LYS 99 HE2 LYS 99 -8.718 -3.751 -0.933 827 HE3 LYS 99 HE3 LYS 99 -9.254 -4.800 0.385 828 HZ1 LYS 99 HZ1 LYS 99 -10.242 -5.530 -1.644 829 HZ2 LYS 99 HZ2 LYS 99 -10.831 -3.986 -1.993 830 HZ3 LYS 99 HZ3 LYS 99 -11.464 -4.857 -0.690 831 H LYS 100 H LYS 100 -12.146 0.842 3.387 832 HA LYS 100 HA LYS 100 -10.972 1.719 5.823 833 HB2 LYS 100 HB2 LYS 100 -11.816 3.231 4.021 834 HB3 LYS 100 HB3 LYS 100 -13.465 2.785 4.438 835 HG2 LYS 100 HG2 LYS 100 -13.194 3.826 6.657 836 HG3 LYS 100 HG3 LYS 100 -11.517 4.232 6.269 837 HD2 LYS 100 HD2 LYS 100 -12.304 5.665 4.396 838 HD3 LYS 100 HD3 LYS 100 -13.976 5.263 4.793 839 HE2 LYS 100 HE2 LYS 100 -12.045 6.722 6.628 840 HE3 LYS 100 HE3 LYS 100 -13.300 7.487 5.652 841 HZ1 LYS 100 HZ1 LYS 100 -14.025 7.193 7.925 842 HZ2 LYS 100 HZ2 LYS 100 -13.753 5.529 7.838 843 HZ3 LYS 100 HZ3 LYS 100 -14.965 6.233 6.896 844 H LYS 101 H LYS 101 -14.045 0.122 5.082 845 HA LYS 101 HA LYS 101 -15.172 0.411 7.707 846 HB2 LYS 101 HB2 LYS 101 -16.935 -1.083 6.980 847 HB3 LYS 101 HB3 LYS 101 -16.571 0.034 5.671 848 HG2 LYS 101 HG2 LYS 101 -15.245 -1.734 4.542 849 HG3 LYS 101 HG3 LYS 101 -15.647 -2.851 5.846 850 HD2 LYS 101 HD2 LYS 101 -17.098 -3.285 3.945 851 HD3 LYS 101 HD3 LYS 101 -18.063 -2.621 5.262 852 HE2 LYS 101 HE2 LYS 101 -18.042 -0.410 4.168 853 HE3 LYS 101 HE3 LYS 101 -17.035 -1.056 2.869 854 HZ1 LYS 101 HZ1 LYS 101 -19.320 -0.972 2.186 855 HZ2 LYS 101 HZ2 LYS 101 -19.806 -1.882 3.522 856 HZ3 LYS 101 HZ3 LYS 101 -18.850 -2.589 2.327 857 H LYS 102 H LYS 102 -13.061 -1.933 6.171 858 HA LYS 102 HA LYS 102 -13.081 -3.888 8.288 859 HB2 LYS 102 HB2 LYS 102 -11.054 -3.301 6.084 860 HB3 LYS 102 HB3 LYS 102 -10.944 -4.679 7.175 861 HG2 LYS 102 HG2 LYS 102 -13.020 -5.615 6.259 862 HG3 LYS 102 HG3 LYS 102 -13.222 -4.197 5.221 863 HD2 LYS 102 HD2 LYS 102 -11.154 -4.751 4.012 864 HD3 LYS 102 HD3 LYS 102 -10.859 -6.121 5.085 865 HE2 LYS 102 HE2 LYS 102 -11.768 -6.834 2.908 866 HE3 LYS 102 HE3 LYS 102 -12.865 -7.241 4.228 867 HZ1 LYS 102 HZ1 LYS 102 -14.033 -6.315 2.320 868 HZ2 LYS 102 HZ2 LYS 102 -13.133 -4.893 2.437 869 HZ3 LYS 102 HZ3 LYS 102 -14.198 -5.319 3.674 870 H GLY 103 H GLY 103 -11.625 -0.796 7.834 871 HA2 GLY 103 HA2 GLY 103 -10.984 0.441 9.787 872 HA3 GLY 103 HA3 GLY 103 -10.261 -1.011 10.458 873 H TYR 104 H TYR 104 -9.681 -0.440 7.113 874 HA TYR 104 HA TYR 104 -6.850 0.108 7.648 875 HB2 TYR 104 HB2 TYR 104 -8.119 -0.393 4.920 876 HB3 TYR 104 HB3 TYR 104 -6.426 -0.576 5.370 877 HD1 TYR 104 HD2 TYR 104 -7.015 -2.205 8.015 878 HD2 TYR 104 HD1 TYR 104 -8.398 -2.599 4.000 879 HE1 TYR 104 HE2 TYR 104 -7.432 -4.595 8.377 880 HE2 TYR 104 HE1 TYR 104 -8.817 -4.971 4.370 881 HH TYR 104 HH TYR 104 -8.780 -6.372 7.487 882 H ASP 105 H ASP 105 -5.886 2.033 7.115 883 HA ASP 105 HA ASP 105 -7.565 4.349 6.665 884 HB2 ASP 105 HB2 ASP 105 -5.574 4.226 8.285 885 HB3 ASP 105 HB3 ASP 105 -4.516 4.230 6.875 886 H VAL 106 H VAL 106 -8.221 4.647 4.535 887 HA VAL 106 HA VAL 106 -6.389 3.809 2.379 888 HB VAL 106 HB VAL 106 -9.395 4.272 2.133 889 HG11 VAL 106 HG11 VAL 106 -7.420 2.815 0.330 890 HG12 VAL 106 HG12 VAL 106 -8.197 4.362 -0.011 891 HG13 VAL 106 HG13 VAL 106 -9.164 2.892 0.074 892 HG21 VAL 106 HG21 VAL 106 -9.667 1.815 2.267 893 HG22 VAL 106 HG22 VAL 106 -9.018 2.479 3.768 894 HG23 VAL 106 HG23 VAL 106 -7.948 1.649 2.639 895 H TYR 107 H TYR 107 -5.927 5.132 0.669 896 HA TYR 107 HA TYR 107 -6.871 7.926 0.649 897 HB2 TYR 107 HB2 TYR 107 -4.123 6.823 -0.112 898 HB3 TYR 107 HB3 TYR 107 -4.633 8.491 -0.356 899 HD1 TYR 107 HD1 TYR 107 -5.280 9.868 1.725 900 HD2 TYR 107 HD2 TYR 107 -3.148 6.174 1.974 901 HE1 TYR 107 HE1 TYR 107 -4.523 10.455 3.981 902 HE2 TYR 107 HE2 TYR 107 -2.401 6.758 4.242 903 HH TYR 107 HH TYR 107 -2.024 8.894 5.538 904 H THR 108 H THR 108 -7.460 8.723 -1.337 905 HA THR 108 HA THR 108 -7.563 6.876 -3.652 906 HB THR 108 HB THR 108 -9.418 8.429 -4.456 907 HG1 THR 108 HG1 THR 108 -10.305 9.619 -2.422 908 HG21 THR 108 HG21 THR 108 -11.153 7.579 -2.911 909 HG22 THR 108 HG22 THR 108 -9.908 7.112 -1.751 910 HG23 THR 108 HG23 THR 108 -10.003 6.311 -3.324 911 H SER 109 H SER 109 -6.905 7.613 -5.674 912 HA SER 109 HA SER 109 -5.981 10.313 -6.140 913 HB2 SER 109 HB2 SER 109 -3.632 9.412 -6.847 914 HB3 SER 109 HB3 SER 109 -3.943 9.638 -5.137 915 HG SER 109 HG SER 109 -4.699 7.201 -5.649 916 H ARG 110 H ARG 110 -6.253 10.815 -8.228 917 HA ARG 110 HA ARG 110 -7.055 8.755 -10.149 918 HB2 ARG 110 HB2 ARG 110 -7.214 11.797 -10.198 919 HB3 ARG 110 HB3 ARG 110 -7.504 10.839 -11.643 920 HG2 ARG 110 HG2 ARG 110 -9.621 11.403 -10.696 921 HG3 ARG 110 HG3 ARG 110 -9.369 9.674 -10.452 922 HD2 ARG 110 HD2 ARG 110 -10.361 10.654 -8.466 923 HD3 ARG 110 HD3 ARG 110 -8.716 10.134 -8.104 924 HE ARG 110 HE ARG 110 -8.023 12.460 -8.199 925 HH11 ARG 110 HH11 ARG 110 -11.517 11.954 -7.973 926 HH12 ARG 110 HH12 ARG 110 -11.805 13.526 -7.303 927 HH21 ARG 110 HH21 ARG 110 -8.436 14.462 -7.249 928 HH22 ARG 110 HH22 ARG 110 -10.067 14.939 -6.895 929 H ASN 111 H ASN 111 -4.345 10.891 -9.484 930 HA ASN 111 HA ASN 111 -2.938 9.912 -11.899 931 HB2 ASN 111 HB2 ASN 111 -2.271 12.088 -12.642 932 HB3 ASN 111 HB3 ASN 111 -4.006 12.177 -12.381 933 HD21 ASN 111 HD21 ASN 111 -4.778 13.413 -10.598 934 HD22 ASN 111 HD22 ASN 111 -3.780 14.597 -9.830 935 H GLU 112 H GLU 112 -0.561 11.013 -11.786 936 HA GLU 112 HA GLU 112 0.686 9.523 -9.731 937 HB2 GLU 112 HB2 GLU 112 1.711 9.859 -11.978 938 HB3 GLU 112 HB3 GLU 112 1.961 11.562 -11.600 939 HG2 GLU 112 HG2 GLU 112 3.333 10.635 -9.537 940 HG3 GLU 112 HG3 GLU 112 3.383 9.141 -10.471 941 H ASP 113 H ASP 113 0.211 13.062 -10.126 942 HA ASP 113 HA ASP 113 1.898 13.909 -8.023 943 HB2 ASP 113 HB2 ASP 113 -0.595 15.250 -9.140 944 HB3 ASP 113 HB3 ASP 113 0.497 16.022 -7.996 945 H GLU 114 H GLU 114 -1.576 13.157 -8.055 946 HA GLU 114 HA GLU 114 -2.087 13.537 -5.302 947 HB2 GLU 114 HB2 GLU 114 -3.480 11.723 -7.306 948 HB3 GLU 114 HB3 GLU 114 -4.085 12.069 -5.687 949 HG2 GLU 114 HG2 GLU 114 -4.251 14.471 -6.274 950 HG3 GLU 114 HG3 GLU 114 -3.700 14.094 -7.910 951 H ALA 115 H ALA 115 -1.144 10.658 -7.159 952 HA ALA 115 HA ALA 115 -1.240 8.665 -5.202 953 HB1 ALA 115 HB1 ALA 115 0.284 7.421 -6.681 954 HB2 ALA 115 HB2 ALA 115 0.691 8.906 -7.544 955 HB3 ALA 115 HB3 ALA 115 -0.946 8.254 -7.628 956 H LYS 116 H LYS 116 1.267 10.945 -6.025 957 HA LYS 116 HA LYS 116 3.421 9.780 -4.569 958 HB2 LYS 116 HB2 LYS 116 3.708 11.119 -6.611 959 HB3 LYS 116 HB3 LYS 116 3.046 12.539 -5.811 960 HG2 LYS 116 HG2 LYS 116 4.991 12.678 -4.348 961 HG3 LYS 116 HG3 LYS 116 5.626 11.157 -4.984 962 HD2 LYS 116 HD2 LYS 116 5.203 13.692 -6.626 963 HD3 LYS 116 HD3 LYS 116 6.754 13.157 -5.975 964 HE2 LYS 116 HE2 LYS 116 6.693 11.142 -7.356 965 HE3 LYS 116 HE3 LYS 116 5.079 11.554 -7.947 966 HZ1 LYS 116 HZ1 LYS 116 7.581 13.074 -8.458 967 HZ2 LYS 116 HZ2 LYS 116 6.040 13.554 -8.960 968 HZ3 LYS 116 HZ3 LYS 116 6.720 12.136 -9.573 969 H LYS 117 H LYS 117 1.190 12.500 -3.979 970 HA LYS 117 HA LYS 117 2.448 13.286 -1.528 971 HB2 LYS 117 HB2 LYS 117 0.751 14.919 -1.282 972 HB3 LYS 117 HB3 LYS 117 1.053 14.811 -3.007 973 HG2 LYS 117 HG2 LYS 117 -1.017 13.318 -3.147 974 HG3 LYS 117 HG3 LYS 117 -1.342 13.759 -1.477 975 HD2 LYS 117 HD2 LYS 117 -1.305 15.590 -3.902 976 HD3 LYS 117 HD3 LYS 117 -2.692 15.148 -2.913 977 HE2 LYS 117 HE2 LYS 117 -2.228 17.311 -2.165 978 HE3 LYS 117 HE3 LYS 117 -1.366 16.341 -0.973 979 HZ1 LYS 117 HZ1 LYS 117 0.691 16.774 -2.103 980 HZ2 LYS 117 HZ2 LYS 117 -0.081 18.251 -1.847 981 HZ3 LYS 117 HZ3 LYS 117 -0.099 17.546 -3.382 982 H LYS 118 H LYS 118 -0.272 11.179 -2.393 983 HA LYS 118 HA LYS 118 -1.238 10.735 0.266 984 HB2 LYS 118 HB2 LYS 118 -1.673 9.098 -2.273 985 HB3 LYS 118 HB3 LYS 118 -2.526 8.835 -0.753 986 HG2 LYS 118 HG2 LYS 118 -2.684 11.307 -2.499 987 HG3 LYS 118 HG3 LYS 118 -3.935 10.080 -2.297 988 HD2 LYS 118 HD2 LYS 118 -4.245 10.729 0.045 989 HD3 LYS 118 HD3 LYS 118 -2.900 11.873 -0.057 990 HE2 LYS 118 HE2 LYS 118 -5.076 13.025 -0.197 991 HE3 LYS 118 HE3 LYS 118 -4.158 13.222 -1.690 992 HZ1 LYS 118 HZ1 LYS 118 -6.286 11.188 -1.314 993 HZ2 LYS 118 HZ2 LYS 118 -5.515 11.601 -2.759 994 HZ3 LYS 118 HZ3 LYS 118 -6.545 12.706 -2.003 995 H LEU 119 H LEU 119 1.198 9.258 -1.750 996 HA LEU 119 HA LEU 119 1.758 6.985 -0.171 997 HB2 LEU 119 HB2 LEU 119 2.569 7.234 -2.473 998 HB3 LEU 119 HB3 LEU 119 3.575 8.588 -1.980 999 HG LEU 119 HG LEU 119 4.920 7.053 -0.531 1000 HD11 LEU 119 HD11 LEU 119 4.683 4.613 -0.751 1001 HD12 LEU 119 HD12 LEU 119 3.225 4.837 -1.722 1002 HD13 LEU 119 HD13 LEU 119 3.249 5.348 -0.033 1003 HD21 LEU 119 HD21 LEU 119 4.724 6.201 -3.420 1004 HD22 LEU 119 HD22 LEU 119 6.094 5.921 -2.344 1005 HD23 LEU 119 HD23 LEU 119 5.652 7.564 -2.795 1006 H LYS 120 H LYS 120 3.125 10.276 -0.204 1007 HA LYS 120 HA LYS 120 4.848 10.019 1.994 1008 HB2 LYS 120 HB2 LYS 120 3.387 12.403 0.839 1009 HB3 LYS 120 HB3 LYS 120 4.426 12.563 2.251 1010 HG2 LYS 120 HG2 LYS 120 6.327 11.668 0.905 1011 HG3 LYS 120 HG3 LYS 120 5.270 11.649 -0.512 1012 HD2 LYS 120 HD2 LYS 120 6.641 13.667 -0.567 1013 HD3 LYS 120 HD3 LYS 120 4.960 14.119 -0.297 1014 HE2 LYS 120 HE2 LYS 120 6.985 13.866 1.955 1015 HE3 LYS 120 HE3 LYS 120 6.699 15.369 1.087 1016 HZ1 LYS 120 HZ1 LYS 120 4.339 15.225 1.825 1017 HZ2 LYS 120 HZ2 LYS 120 5.444 15.402 3.089 1018 HZ3 LYS 120 HZ3 LYS 120 4.751 13.896 2.794 1019 H GLU 121 H GLU 121 1.375 10.831 1.842 1020 HA GLU 121 HA GLU 121 0.940 11.505 4.522 1021 HB2 GLU 121 HB2 GLU 121 -1.011 10.078 2.664 1022 HB3 GLU 121 HB3 GLU 121 -1.440 10.899 4.160 1023 HG2 GLU 121 HG2 GLU 121 -0.302 12.223 1.695 1024 HG3 GLU 121 HG3 GLU 121 -1.999 12.208 2.145 1025 H ALA 122 H ALA 122 0.937 8.365 2.897 1026 HA ALA 122 HA ALA 122 0.147 6.719 5.044 1027 HB1 ALA 122 HB1 ALA 122 0.159 5.980 2.707 1028 HB2 ALA 122 HB2 ALA 122 1.109 4.890 3.716 1029 HB3 ALA 122 HB3 ALA 122 1.920 6.063 2.670 1030 H LEU 123 H LEU 123 3.339 7.780 3.912 1031 HA LEU 123 HA LEU 123 4.899 6.173 5.685 1032 HB2 LEU 123 HB2 LEU 123 5.583 8.621 3.987 1033 HB3 LEU 123 HB3 LEU 123 6.786 7.681 4.871 1034 HG LEU 123 HG LEU 123 4.988 6.551 2.687 1035 HD11 LEU 123 HD11 LEU 123 6.577 8.150 1.737 1036 HD12 LEU 123 HD12 LEU 123 6.944 6.502 1.240 1037 HD13 LEU 123 HD13 LEU 123 7.920 7.283 2.489 1038 HD21 LEU 123 HD21 LEU 123 7.324 5.292 4.160 1039 HD22 LEU 123 HD22 LEU 123 6.488 4.588 2.774 1040 HD23 LEU 123 HD23 LEU 123 5.620 4.837 4.285 1041 H GLU 124 H GLU 124 3.655 9.434 5.813 1042 HA GLU 124 HA GLU 124 4.988 10.201 8.253 1043 HB2 GLU 124 HB2 GLU 124 2.844 11.519 6.526 1044 HB3 GLU 124 HB3 GLU 124 3.529 12.270 7.967 1045 HG2 GLU 124 HG2 GLU 124 5.712 12.395 7.008 1046 HG3 GLU 124 HG3 GLU 124 5.283 11.318 5.687 1047 H LYS 125 H LYS 125 1.856 8.794 7.387 1048 HA LYS 125 HA LYS 125 0.717 8.970 10.058 1049 HB2 LYS 125 HB2 LYS 125 -0.154 7.514 7.532 1050 HB3 LYS 125 HB3 LYS 125 -1.013 7.313 9.053 1051 HG2 LYS 125 HG2 LYS 125 -0.581 10.090 7.955 1052 HG3 LYS 125 HG3 LYS 125 -1.843 9.073 7.275 1053 HD2 LYS 125 HD2 LYS 125 -1.663 9.629 10.252 1054 HD3 LYS 125 HD3 LYS 125 -2.512 10.708 9.143 1055 HE2 LYS 125 HE2 LYS 125 -3.153 7.767 9.566 1056 HE3 LYS 125 HE3 LYS 125 -4.068 9.129 10.212 1057 HZ1 LYS 125 HZ1 LYS 125 -3.725 8.426 7.339 1058 HZ2 LYS 125 HZ2 LYS 125 -4.474 9.838 7.892 1059 HZ3 LYS 125 HZ3 LYS 125 -5.145 8.331 8.252 1060 H SER 126 H SER 126 2.835 6.806 8.389 1061 HA SER 126 HA SER 126 2.441 4.601 10.292 1062 HB2 SER 126 HB2 SER 126 4.012 3.369 8.858 1063 HB3 SER 126 HB3 SER 126 2.728 4.071 7.880 1064 HG SER 126 HG SER 126 4.178 5.107 6.825 1065 H GLY 127 H GLY 127 4.919 3.593 10.665 1066 HA2 GLY 127 HA2 GLY 127 6.072 5.440 12.590 1067 HA3 GLY 127 HA3 GLY 127 6.482 3.749 12.352 1068 H SER 128 H SER 128 6.574 6.498 10.041 1069 HA SER 128 HA SER 128 9.524 6.173 9.834 1070 HB2 SER 128 HB2 SER 128 7.694 7.308 7.668 1071 HB3 SER 128 HB3 SER 128 9.398 6.873 7.517 1072 HG SER 128 HG SER 128 8.771 4.705 7.894 1073 H LEU 129 H LEU 129 7.155 8.683 8.896 1074 HA LEU 129 HA LEU 129 8.684 10.727 10.416 1075 HB2 LEU 129 HB2 LEU 129 7.193 10.923 7.785 1076 HB3 LEU 129 HB3 LEU 129 7.510 12.344 8.764 1077 HG LEU 129 HG LEU 129 9.998 11.787 8.606 1078 HD11 LEU 129 HD11 LEU 129 9.860 9.445 7.959 1079 HD12 LEU 129 HD12 LEU 129 10.762 10.371 6.760 1080 HD13 LEU 129 HD13 LEU 129 9.096 9.888 6.432 1081 HD21 LEU 129 HD21 LEU 129 8.981 13.589 7.337 1082 HD22 LEU 129 HD22 LEU 129 8.525 12.466 6.052 1083 HD23 LEU 129 HD23 LEU 129 10.230 12.791 6.382 1084 H GLU 130 H GLU 130 7.107 12.736 10.731 1085 HA GLU 130 HA GLU 130 4.739 11.808 12.212 1086 HB2 GLU 130 HB2 GLU 130 5.913 14.623 12.001 1087 HB3 GLU 130 HB3 GLU 130 4.726 14.061 13.178 1088 HG2 GLU 130 HG2 GLU 130 6.389 12.629 14.235 1089 HG3 GLU 130 HG3 GLU 130 7.575 13.041 12.997 1090 H HIS 131 H HIS 131 2.666 12.112 11.381 1091 HA HIS 131 HA HIS 131 2.331 13.328 8.793 1092 HB2 HIS 131 HB2 HIS 131 0.923 11.375 9.578 1093 HB3 HIS 131 HB3 HIS 131 0.091 12.478 10.672 1094 HD2 HIS 131 HD2 HIS 131 0.828 12.534 6.769 1095 HE1 HIS 131 HE1 HIS 131 -3.131 13.808 7.500 1096 HE2 HIS 131 HE2 HIS 131 -1.327 13.527 5.760 1097 H HIS 132 H HIS 132 2.898 15.384 8.921 1098 HA HIS 132 HA HIS 132 1.949 17.258 10.900 1099 HB2 HIS 132 HB2 HIS 132 3.289 18.906 9.588 1100 HB3 HIS 132 HB3 HIS 132 4.223 17.468 9.979 1101 HD2 HIS 132 HD2 HIS 132 4.894 15.828 7.801 1102 HE1 HIS 132 HE1 HIS 132 3.562 18.560 4.871 1103 HE2 HIS 132 HE2 HIS 132 4.644 16.309 5.279 1104 H HIS 133 H HIS 133 1.181 19.464 9.836 1105 HA HIS 133 HA HIS 133 -1.371 18.812 8.524 1106 HB2 HIS 133 HB2 HIS 133 -0.502 21.338 10.005 1107 HB3 HIS 133 HB3 HIS 133 -2.108 21.048 9.337 1108 HD1 HIS 133 HD1 HIS 133 -3.738 20.196 10.988 1109 HD2 HIS 133 HD2 HIS 133 0.151 19.216 12.050 1110 HE1 HIS 133 HE1 HIS 133 -3.911 19.064 13.215 1111 HE2 HIS 133 HE2 HIS 133 -1.533 18.610 13.892 1112 H HIS 134 H HIS 134 -1.968 19.663 6.651 1113 HA HIS 134 HA HIS 134 0.028 20.961 4.949 1114 HB2 HIS 134 HB2 HIS 134 -2.724 19.779 4.307 1115 HB3 HIS 134 HB3 HIS 134 -1.620 20.461 3.112 1116 HD1 HIS 134 HD1 HIS 134 -0.053 18.832 2.059 1117 HD2 HIS 134 HD2 HIS 134 -1.419 17.473 5.736 1118 HE1 HIS 134 HE1 HIS 134 0.917 16.544 2.344 1119 HE2 HIS 134 HE2 HIS 134 -0.062 15.693 4.492 1120 H HIS 135 H HIS 135 0.135 23.029 5.595 1121 HA HIS 135 HA HIS 135 -2.214 24.765 5.276 1122 HB2 HIS 135 HB2 HIS 135 -2.163 24.305 7.680 1123 HB3 HIS 135 HB3 HIS 135 -0.443 24.669 7.767 1124 HD1 HIS 135 HD1 HIS 135 0.220 27.079 8.089 1125 HD2 HIS 135 HD2 HIS 135 -3.845 26.649 7.319 1126 HE1 HIS 135 HE1 HIS 135 -0.788 29.336 8.507 1127 HE2 HIS 135 HE2 HIS 135 -3.241 29.052 8.054 1128 H HIS 136 H HIS 136 -1.673 26.313 3.923 1129 HA HIS 136 HA HIS 136 1.070 27.431 3.895 1130 HB2 HIS 136 HB2 HIS 136 0.611 28.195 1.570 1131 HB3 HIS 136 HB3 HIS 136 0.507 26.445 1.718 1132 HD1 HIS 136 HD1 HIS 136 -1.535 29.471 0.920 1133 HD2 HIS 136 HD2 HIS 136 -2.099 25.379 1.331 1134 HE1 HIS 136 HE1 HIS 136 -3.793 29.001 -0.063 1135 HE2 HIS 136 HE2 HIS 136 -4.123 26.520 0.225 Start of MODEL 11 1 H1 MET 1 H1 MET 1 5.602 0.867 16.060 2 H2 MET 1 H2 MET 1 4.187 0.734 16.968 3 H3 MET 1 H3 MET 1 4.154 1.499 15.463 4 HA MET 1 HA MET 1 4.743 -1.362 15.934 5 HB2 MET 1 HB2 MET 1 2.297 -0.024 14.667 6 HB3 MET 1 HB3 MET 1 2.577 -1.761 14.718 7 HG2 MET 1 HG2 MET 1 2.163 0.011 17.139 8 HG3 MET 1 HG3 MET 1 0.950 -1.039 16.406 9 HE1 MET 1 HE1 MET 1 2.557 -3.696 15.687 10 HE2 MET 1 HE2 MET 1 1.015 -3.725 16.545 11 HE3 MET 1 HE3 MET 1 2.395 -4.623 17.177 12 H GLY 2 H GLY 2 4.828 -2.596 13.858 13 HA2 GLY 2 HA2 GLY 2 6.113 -1.362 11.628 14 HA3 GLY 2 HA3 GLY 2 5.335 -2.947 11.640 15 H VAL 3 H VAL 3 5.148 -0.936 9.533 16 HA VAL 3 HA VAL 3 2.218 -0.448 9.539 17 HB VAL 3 HB VAL 3 4.376 1.577 8.735 18 HG11 VAL 3 HG11 VAL 3 2.529 3.120 8.168 19 HG12 VAL 3 HG12 VAL 3 1.357 1.832 8.460 20 HG13 VAL 3 HG13 VAL 3 2.515 1.687 7.135 21 HG21 VAL 3 HG21 VAL 3 2.308 1.625 10.959 22 HG22 VAL 3 HG22 VAL 3 3.350 2.978 10.527 23 HG23 VAL 3 HG23 VAL 3 4.056 1.486 11.145 24 H VAL 4 H VAL 4 1.353 -1.386 7.814 25 HA VAL 4 HA VAL 4 3.072 -2.080 5.502 26 HB VAL 4 HB VAL 4 0.421 -3.335 6.390 27 HG11 VAL 4 HG11 VAL 4 2.425 -4.241 4.292 28 HG12 VAL 4 HG12 VAL 4 0.818 -3.574 3.985 29 HG13 VAL 4 HG13 VAL 4 0.987 -5.131 4.796 30 HG21 VAL 4 HG21 VAL 4 2.186 -3.755 8.062 31 HG22 VAL 4 HG22 VAL 4 3.248 -4.394 6.802 32 HG23 VAL 4 HG23 VAL 4 1.752 -5.240 7.212 33 H ILE 5 H ILE 5 2.832 -0.606 3.991 34 HA ILE 5 HA ILE 5 0.274 0.779 3.505 35 HB ILE 5 HB ILE 5 3.083 1.408 2.433 36 HG12 ILE 5 HG12 ILE 5 1.622 2.826 4.712 37 HG13 ILE 5 HG13 ILE 5 2.890 1.629 4.952 38 HG21 ILE 5 HG21 ILE 5 2.147 3.609 1.803 39 HG22 ILE 5 HG22 ILE 5 0.557 3.109 2.376 40 HG23 ILE 5 HG23 ILE 5 1.287 2.295 0.992 41 HD11 ILE 5 HD11 ILE 5 4.478 3.081 3.799 42 HD12 ILE 5 HD12 ILE 5 3.748 3.857 5.202 43 HD13 ILE 5 HD13 ILE 5 3.211 4.293 3.581 44 H LEU 6 H LEU 6 -0.880 -0.524 2.131 45 HA LEU 6 HA LEU 6 0.373 -1.884 -0.143 46 HB2 LEU 6 HB2 LEU 6 -2.515 -1.952 0.795 47 HB3 LEU 6 HB3 LEU 6 -1.776 -3.038 -0.362 48 HG LEU 6 HG LEU 6 -1.144 -2.881 2.605 49 HD11 LEU 6 HD11 LEU 6 -2.184 -5.101 2.722 50 HD12 LEU 6 HD12 LEU 6 -2.641 -4.984 1.020 51 HD13 LEU 6 HD13 LEU 6 -3.320 -3.857 2.203 52 HD21 LEU 6 HD21 LEU 6 -0.035 -4.742 0.491 53 HD22 LEU 6 HD22 LEU 6 0.240 -4.866 2.231 54 HD23 LEU 6 HD23 LEU 6 0.844 -3.472 1.346 55 H VAL 7 H VAL 7 0.700 -0.392 -1.714 56 HA VAL 7 HA VAL 7 -1.386 1.550 -2.383 57 HB VAL 7 HB VAL 7 1.392 1.204 -3.625 58 HG11 VAL 7 HG11 VAL 7 -0.556 3.536 -3.734 59 HG12 VAL 7 HG12 VAL 7 -0.177 2.432 -5.058 60 HG13 VAL 7 HG13 VAL 7 1.067 3.510 -4.427 61 HG21 VAL 7 HG21 VAL 7 2.128 3.075 -2.190 62 HG22 VAL 7 HG22 VAL 7 1.608 1.698 -1.217 63 HG23 VAL 7 HG23 VAL 7 0.551 3.102 -1.394 64 H LEU 8 H LEU 8 -2.985 0.603 -3.501 65 HA LEU 8 HA LEU 8 -2.550 -1.519 -5.445 66 HB2 LEU 8 HB2 LEU 8 -5.026 -0.153 -4.321 67 HB3 LEU 8 HB3 LEU 8 -5.136 -1.169 -5.745 68 HG LEU 8 HG LEU 8 -4.305 -3.117 -4.404 69 HD11 LEU 8 HD11 LEU 8 -4.263 -3.011 -1.957 70 HD12 LEU 8 HD12 LEU 8 -4.500 -1.263 -2.024 71 HD13 LEU 8 HD13 LEU 8 -3.029 -1.979 -2.683 72 HD21 LEU 8 HD21 LEU 8 -6.406 -3.459 -3.141 73 HD22 LEU 8 HD22 LEU 8 -6.693 -2.811 -4.752 74 HD23 LEU 8 HD23 LEU 8 -6.800 -1.749 -3.344 75 H THR 9 H THR 9 -1.640 -0.751 -7.284 76 HA THR 9 HA THR 9 -2.578 1.804 -8.463 77 HB THR 9 HB THR 9 -0.442 1.675 -9.813 78 HG1 THR 9 HG1 THR 9 0.338 -0.406 -8.033 79 HG21 THR 9 HG21 THR 9 1.131 2.252 -8.001 80 HG22 THR 9 HG22 THR 9 0.014 1.587 -6.809 81 HG23 THR 9 HG23 THR 9 -0.439 3.016 -7.739 82 H GLY 10 H GLY 10 -3.585 1.782 -10.397 83 HA2 GLY 10 HA2 GLY 10 -4.456 -0.599 -11.688 84 HA3 GLY 10 HA3 GLY 10 -4.580 1.035 -12.329 85 H ASP 11 H ASP 11 -1.540 1.195 -11.914 86 HA ASP 11 HA ASP 11 -0.645 -0.326 -14.268 87 HB2 ASP 11 HB2 ASP 11 -1.381 1.834 -15.140 88 HB3 ASP 11 HB3 ASP 11 -0.471 2.703 -13.908 89 H GLU 12 H GLU 12 1.434 -0.911 -14.257 90 HA GLU 12 HA GLU 12 2.780 -1.187 -11.780 91 HB2 GLU 12 HB2 GLU 12 2.777 -2.923 -13.531 92 HB3 GLU 12 HB3 GLU 12 3.648 -1.855 -14.624 93 HG2 GLU 12 HG2 GLU 12 5.581 -1.888 -13.023 94 HG3 GLU 12 HG3 GLU 12 4.710 -3.071 -12.050 95 H ARG 13 H ARG 13 3.301 0.951 -14.578 96 HA ARG 13 HA ARG 13 5.923 1.828 -13.877 97 HB2 ARG 13 HB2 ARG 13 5.155 2.116 -16.168 98 HB3 ARG 13 HB3 ARG 13 3.805 3.113 -15.642 99 HG2 ARG 13 HG2 ARG 13 5.462 4.573 -16.587 100 HG3 ARG 13 HG3 ARG 13 5.442 4.836 -14.845 101 HD2 ARG 13 HD2 ARG 13 7.448 3.199 -14.747 102 HD3 ARG 13 HD3 ARG 13 7.536 3.395 -16.500 103 HE ARG 13 HE ARG 13 8.470 5.186 -14.524 104 HH11 ARG 13 HH11 ARG 13 6.980 5.286 -17.716 105 HH12 ARG 13 HH12 ARG 13 7.632 6.846 -18.092 106 HH21 ARG 13 HH21 ARG 13 9.241 7.235 -15.000 107 HH22 ARG 13 HH22 ARG 13 8.916 7.954 -16.547 108 H ILE 14 H ILE 14 2.665 3.175 -13.263 109 HA ILE 14 HA ILE 14 3.386 5.499 -11.865 110 HB ILE 14 HB ILE 14 0.934 3.723 -11.401 111 HG12 ILE 14 HG12 ILE 14 1.250 6.229 -13.135 112 HG13 ILE 14 HG13 ILE 14 1.084 4.585 -13.736 113 HG21 ILE 14 HG21 ILE 14 -0.106 5.738 -10.372 114 HG22 ILE 14 HG22 ILE 14 1.426 6.596 -10.520 115 HG23 ILE 14 HG23 ILE 14 1.307 5.188 -9.465 116 HD11 ILE 14 HD11 ILE 14 -0.994 5.801 -13.945 117 HD12 ILE 14 HD12 ILE 14 -1.016 6.131 -12.213 118 HD13 ILE 14 HD13 ILE 14 -1.178 4.472 -12.802 119 H ALA 15 H ALA 15 2.876 2.167 -10.719 120 HA ALA 15 HA ALA 15 3.320 2.422 -7.993 121 HB1 ALA 15 HB1 ALA 15 3.951 0.039 -8.049 122 HB2 ALA 15 HB2 ALA 15 4.132 0.125 -9.803 123 HB3 ALA 15 HB3 ALA 15 2.546 0.358 -9.064 124 H GLU 16 H GLU 16 5.741 1.914 -10.572 125 HA GLU 16 HA GLU 16 8.005 1.936 -8.839 126 HB2 GLU 16 HB2 GLU 16 7.836 2.274 -11.853 127 HB3 GLU 16 HB3 GLU 16 9.326 2.010 -10.948 128 HG2 GLU 16 HG2 GLU 16 6.994 0.078 -11.134 129 HG3 GLU 16 HG3 GLU 16 8.519 -0.064 -11.998 130 H GLU 17 H GLU 17 6.257 4.474 -10.507 131 HA GLU 17 HA GLU 17 8.221 6.548 -10.137 132 HB2 GLU 17 HB2 GLU 17 5.249 6.707 -10.763 133 HB3 GLU 17 HB3 GLU 17 6.322 8.103 -10.715 134 HG2 GLU 17 HG2 GLU 17 6.530 5.757 -12.619 135 HG3 GLU 17 HG3 GLU 17 5.935 7.367 -13.008 136 H LEU 18 H LEU 18 5.587 5.276 -8.200 137 HA LEU 18 HA LEU 18 5.802 7.278 -6.122 138 HB2 LEU 18 HB2 LEU 18 4.646 4.459 -5.969 139 HB3 LEU 18 HB3 LEU 18 4.364 5.770 -4.830 140 HG LEU 18 HG LEU 18 3.402 5.652 -7.709 141 HD11 LEU 18 HD11 LEU 18 1.154 5.563 -6.767 142 HD12 LEU 18 HD12 LEU 18 1.826 5.552 -5.134 143 HD13 LEU 18 HD13 LEU 18 2.135 4.200 -6.226 144 HD21 LEU 18 HD21 LEU 18 2.227 7.775 -7.281 145 HD22 LEU 18 HD22 LEU 18 3.977 7.959 -7.184 146 HD23 LEU 18 HD23 LEU 18 3.015 7.891 -5.705 147 H ARG 19 H ARG 19 7.186 4.140 -6.854 148 HA ARG 19 HA ARG 19 8.537 3.523 -4.472 149 HB2 ARG 19 HB2 ARG 19 8.156 1.876 -6.238 150 HB3 ARG 19 HB3 ARG 19 9.152 2.790 -7.363 151 HG2 ARG 19 HG2 ARG 19 11.149 2.310 -5.983 152 HG3 ARG 19 HG3 ARG 19 10.144 1.394 -4.860 153 HD2 ARG 19 HD2 ARG 19 9.533 -0.145 -6.754 154 HD3 ARG 19 HD3 ARG 19 10.690 0.728 -7.770 155 HE ARG 19 HE ARG 19 12.071 -0.036 -5.495 156 HH11 ARG 19 HH11 ARG 19 10.414 -1.710 -8.123 157 HH12 ARG 19 HH12 ARG 19 11.431 -3.115 -8.013 158 HH21 ARG 19 HH21 ARG 19 13.364 -1.866 -5.350 159 HH22 ARG 19 HH22 ARG 19 13.113 -3.201 -6.431 160 H LYS 20 H LYS 20 9.533 5.486 -7.276 161 HA LYS 20 HA LYS 20 12.274 5.706 -6.728 162 HB2 LYS 20 HB2 LYS 20 12.354 7.473 -8.323 163 HB3 LYS 20 HB3 LYS 20 11.039 6.436 -8.855 164 HG2 LYS 20 HG2 LYS 20 9.498 8.102 -7.582 165 HG3 LYS 20 HG3 LYS 20 10.888 9.182 -7.607 166 HD2 LYS 20 HD2 LYS 20 9.505 7.998 -10.047 167 HD3 LYS 20 HD3 LYS 20 9.311 9.642 -9.453 168 HE2 LYS 20 HE2 LYS 20 11.717 10.067 -9.933 169 HE3 LYS 20 HE3 LYS 20 11.849 8.431 -10.591 170 HZ1 LYS 20 HZ1 LYS 20 10.148 9.019 -12.242 171 HZ2 LYS 20 HZ2 LYS 20 11.501 10.017 -12.368 172 HZ3 LYS 20 HZ3 LYS 20 10.090 10.598 -11.641 173 H GLU 21 H GLU 21 9.505 7.477 -5.517 174 HA GLU 21 HA GLU 21 10.937 9.487 -4.096 175 HB2 GLU 21 HB2 GLU 21 8.050 8.580 -3.892 176 HB3 GLU 21 HB3 GLU 21 8.715 10.015 -3.115 177 HG2 GLU 21 HG2 GLU 21 8.597 9.520 -6.098 178 HG3 GLU 21 HG3 GLU 21 7.516 10.558 -5.180 179 H VAL 22 H VAL 22 9.484 6.362 -3.215 180 HA VAL 22 HA VAL 22 9.693 6.490 -0.413 181 HB VAL 22 HB VAL 22 10.006 3.995 -2.166 182 HG11 VAL 22 HG11 VAL 22 9.260 4.235 0.780 183 HG12 VAL 22 HG12 VAL 22 10.742 3.537 0.118 184 HG13 VAL 22 HG13 VAL 22 9.193 2.743 -0.166 185 HG21 VAL 22 HG21 VAL 22 7.588 3.639 -1.833 186 HG22 VAL 22 HG22 VAL 22 7.910 5.152 -2.679 187 HG23 VAL 22 HG23 VAL 22 7.475 5.176 -0.969 188 H GLN 23 H GLN 23 11.980 5.417 -2.882 189 HA GLN 23 HA GLN 23 14.055 4.503 -1.176 190 HB2 GLN 23 HB2 GLN 23 14.188 5.469 -4.068 191 HB3 GLN 23 HB3 GLN 23 15.451 4.553 -3.243 192 HG2 GLN 23 HG2 GLN 23 13.991 2.621 -3.031 193 HG3 GLN 23 HG3 GLN 23 12.631 3.527 -3.693 194 HE21 GLN 23 HE21 GLN 23 12.592 3.972 -5.934 195 HE22 GLN 23 HE22 GLN 23 13.578 3.107 -7.056 196 H LYS 24 H LYS 24 13.265 7.662 -2.518 197 HA LYS 24 HA LYS 24 15.718 8.959 -1.632 198 HB2 LYS 24 HB2 LYS 24 13.148 10.156 -2.765 199 HB3 LYS 24 HB3 LYS 24 14.657 11.032 -2.517 200 HG2 LYS 24 HG2 LYS 24 15.777 9.665 -4.216 201 HG3 LYS 24 HG3 LYS 24 14.326 8.676 -4.407 202 HD2 LYS 24 HD2 LYS 24 13.116 10.859 -5.077 203 HD3 LYS 24 HD3 LYS 24 14.721 11.586 -5.193 204 HE2 LYS 24 HE2 LYS 24 13.680 9.227 -6.798 205 HE3 LYS 24 HE3 LYS 24 13.953 10.863 -7.392 206 HZ1 LYS 24 HZ1 LYS 24 16.035 8.970 -6.446 207 HZ2 LYS 24 HZ2 LYS 24 16.327 10.558 -6.936 208 HZ3 LYS 24 HZ3 LYS 24 15.746 9.427 -8.048 209 H HIS 25 H HIS 25 12.561 8.338 -0.347 210 HA HIS 25 HA HIS 25 12.437 10.533 1.546 211 HB2 HIS 25 HB2 HIS 25 10.408 9.525 0.455 212 HB3 HIS 25 HB3 HIS 25 10.693 8.021 1.312 213 HD2 HIS 25 HD2 HIS 25 10.596 8.551 4.311 214 HE1 HIS 25 HE1 HIS 25 7.446 11.275 3.600 215 HE2 HIS 25 HE2 HIS 25 8.760 10.033 5.358 216 H ASP 26 H ASP 26 12.897 7.001 1.698 217 HA ASP 26 HA ASP 26 14.632 7.163 3.992 218 HB2 ASP 26 HB2 ASP 26 12.317 7.217 5.040 219 HB3 ASP 26 HB3 ASP 26 11.993 5.646 4.318 220 HA PRO 27 HA PRO 27 15.998 3.701 1.435 221 HB2 PRO 27 HB2 PRO 27 18.318 3.066 2.712 222 HB3 PRO 27 HB3 PRO 27 18.128 4.594 1.824 223 HG2 PRO 27 HG2 PRO 27 17.881 4.109 4.783 224 HG3 PRO 27 HG3 PRO 27 18.771 5.392 3.930 225 HD2 PRO 27 HD2 PRO 27 16.286 5.797 4.987 226 HD3 PRO 27 HD3 PRO 27 16.853 6.649 3.532 227 H ASN 28 H ASN 28 15.100 3.372 4.755 228 HA ASN 28 HA ASN 28 15.621 0.520 4.993 229 HB2 ASN 28 HB2 ASN 28 13.970 2.265 6.882 230 HB3 ASN 28 HB3 ASN 28 14.698 0.704 7.238 231 HD21 ASN 28 HD21 ASN 28 15.290 4.102 6.791 232 HD22 ASN 28 HD22 ASN 28 16.882 4.119 7.462 233 H VAL 29 H VAL 29 12.825 2.659 4.482 234 HA VAL 29 HA VAL 29 10.805 0.665 4.495 235 HB VAL 29 HB VAL 29 10.766 3.281 2.900 236 HG11 VAL 29 HG11 VAL 29 8.474 1.548 3.906 237 HG12 VAL 29 HG12 VAL 29 8.991 1.714 2.227 238 HG13 VAL 29 HG13 VAL 29 8.299 3.097 3.075 239 HG21 VAL 29 HG21 VAL 29 11.252 3.746 5.261 240 HG22 VAL 29 HG22 VAL 29 9.849 2.801 5.757 241 HG23 VAL 29 HG23 VAL 29 9.627 4.294 4.842 242 H LYS 30 H LYS 30 10.827 -1.041 3.179 243 HA LYS 30 HA LYS 30 12.087 -0.942 0.539 244 HB2 LYS 30 HB2 LYS 30 11.077 -3.239 2.251 245 HB3 LYS 30 HB3 LYS 30 11.640 -3.465 0.603 246 HG2 LYS 30 HG2 LYS 30 13.288 -2.476 2.950 247 HG3 LYS 30 HG3 LYS 30 13.404 -4.054 2.170 248 HD2 LYS 30 HD2 LYS 30 14.152 -1.357 0.973 249 HD3 LYS 30 HD3 LYS 30 15.249 -2.650 1.431 250 HE2 LYS 30 HE2 LYS 30 13.240 -2.737 -0.843 251 HE3 LYS 30 HE3 LYS 30 14.983 -2.565 -1.004 252 HZ1 LYS 30 HZ1 LYS 30 14.235 -4.811 -1.448 253 HZ2 LYS 30 HZ2 LYS 30 13.592 -4.942 0.105 254 HZ3 LYS 30 HZ3 LYS 30 15.262 -4.780 -0.106 255 H THR 31 H THR 31 11.030 -1.945 -1.295 256 HA THR 31 HA THR 31 8.094 -1.496 -1.382 257 HB THR 31 HB THR 31 8.512 -0.756 -3.792 258 HG1 THR 31 HG1 THR 31 10.516 -1.395 -4.285 259 HG21 THR 31 HG21 THR 31 8.085 0.930 -2.022 260 HG22 THR 31 HG22 THR 31 9.240 1.534 -3.211 261 HG23 THR 31 HG23 THR 31 9.808 0.969 -1.640 262 H VAL 32 H VAL 32 6.993 -3.268 -1.966 263 HA VAL 32 HA VAL 32 8.401 -5.564 -3.216 264 HB VAL 32 HB VAL 32 5.886 -5.721 -1.478 265 HG11 VAL 32 HG11 VAL 32 6.297 -7.669 -2.927 266 HG12 VAL 32 HG12 VAL 32 6.501 -8.096 -1.227 267 HG13 VAL 32 HG13 VAL 32 7.920 -7.851 -2.251 268 HG21 VAL 32 HG21 VAL 32 7.672 -4.708 -0.113 269 HG22 VAL 32 HG22 VAL 32 8.754 -6.047 -0.509 270 HG23 VAL 32 HG23 VAL 32 7.295 -6.342 0.442 271 HA PRO 33 HA PRO 33 5.346 -4.719 -6.497 272 HB2 PRO 33 HB2 PRO 33 6.158 -6.556 -8.336 273 HB3 PRO 33 HB3 PRO 33 7.126 -5.113 -7.967 274 HG2 PRO 33 HG2 PRO 33 7.476 -7.919 -6.960 275 HG3 PRO 33 HG3 PRO 33 8.704 -6.784 -7.562 276 HD2 PRO 33 HD2 PRO 33 8.228 -7.185 -4.888 277 HD3 PRO 33 HD3 PRO 33 8.839 -5.649 -5.543 278 H THR 34 H THR 34 3.937 -6.126 -7.972 279 HA THR 34 HA THR 34 1.942 -7.262 -6.341 280 HB THR 34 HB THR 34 0.745 -7.655 -8.503 281 HG1 THR 34 HG1 THR 34 1.942 -8.003 -10.204 282 HG21 THR 34 HG21 THR 34 0.752 -5.332 -9.364 283 HG22 THR 34 HG22 THR 34 2.209 -4.987 -8.426 284 HG23 THR 34 HG23 THR 34 0.693 -5.365 -7.603 285 H LYS 35 H LYS 35 4.464 -8.735 -8.289 286 HA LYS 35 HA LYS 35 3.248 -11.303 -8.638 287 HB2 LYS 35 HB2 LYS 35 5.334 -11.975 -9.674 288 HB3 LYS 35 HB3 LYS 35 4.957 -10.337 -10.196 289 HG2 LYS 35 HG2 LYS 35 6.620 -9.400 -8.696 290 HG3 LYS 35 HG3 LYS 35 6.915 -10.982 -7.965 291 HD2 LYS 35 HD2 LYS 35 7.740 -11.803 -10.197 292 HD3 LYS 35 HD3 LYS 35 7.547 -10.164 -10.829 293 HE2 LYS 35 HE2 LYS 35 9.869 -10.515 -10.239 294 HE3 LYS 35 HE3 LYS 35 9.176 -9.351 -9.115 295 HZ1 LYS 35 HZ1 LYS 35 8.926 -11.168 -7.508 296 HZ2 LYS 35 HZ2 LYS 35 10.534 -10.920 -7.943 297 HZ3 LYS 35 HZ3 LYS 35 9.684 -12.230 -8.581 298 H ASP 36 H ASP 36 4.919 -9.918 -5.983 299 HA ASP 36 HA ASP 36 5.873 -12.534 -4.975 300 HB2 ASP 36 HB2 ASP 36 6.681 -9.675 -4.254 301 HB3 ASP 36 HB3 ASP 36 7.259 -11.096 -3.391 302 H LYS 37 H LYS 37 3.064 -11.902 -4.818 303 HA LYS 37 HA LYS 37 2.090 -10.774 -2.484 304 HB2 LYS 37 HB2 LYS 37 0.739 -11.617 -4.459 305 HB3 LYS 37 HB3 LYS 37 0.934 -13.251 -3.863 306 HG2 LYS 37 HG2 LYS 37 -0.556 -11.032 -2.408 307 HG3 LYS 37 HG3 LYS 37 -1.308 -12.262 -3.417 308 HD2 LYS 37 HD2 LYS 37 -0.389 -14.004 -1.818 309 HD3 LYS 37 HD3 LYS 37 0.151 -12.678 -0.790 310 HE2 LYS 37 HE2 LYS 37 -1.893 -13.411 0.140 311 HE3 LYS 37 HE3 LYS 37 -2.287 -11.920 -0.718 312 HZ1 LYS 37 HZ1 LYS 37 -3.911 -13.674 -1.103 313 HZ2 LYS 37 HZ2 LYS 37 -2.721 -14.676 -1.757 314 HZ3 LYS 37 HZ3 LYS 37 -3.148 -13.238 -2.546 315 H GLU 38 H GLU 38 3.105 -14.157 -2.974 316 HA GLU 38 HA GLU 38 2.500 -15.152 -0.407 317 HB2 GLU 38 HB2 GLU 38 4.702 -16.094 -2.296 318 HB3 GLU 38 HB3 GLU 38 4.011 -17.026 -0.970 319 HG2 GLU 38 HG2 GLU 38 1.841 -17.092 -2.122 320 HG3 GLU 38 HG3 GLU 38 2.490 -16.100 -3.427 321 H LYS 39 H LYS 39 5.390 -13.612 -1.728 322 HA LYS 39 HA LYS 39 7.009 -13.905 0.619 323 HB2 LYS 39 HB2 LYS 39 7.361 -12.079 -1.801 324 HB3 LYS 39 HB3 LYS 39 8.562 -12.320 -0.536 325 HG2 LYS 39 HG2 LYS 39 8.658 -14.757 -1.153 326 HG3 LYS 39 HG3 LYS 39 7.550 -14.418 -2.486 327 HD2 LYS 39 HD2 LYS 39 9.864 -14.466 -3.312 328 HD3 LYS 39 HD3 LYS 39 9.203 -12.834 -3.459 329 HE2 LYS 39 HE2 LYS 39 10.401 -12.173 -1.395 330 HE3 LYS 39 HE3 LYS 39 11.049 -13.807 -1.250 331 HZ1 LYS 39 HZ1 LYS 39 11.576 -11.970 -3.523 332 HZ2 LYS 39 HZ2 LYS 39 12.231 -13.511 -3.308 333 HZ3 LYS 39 HZ3 LYS 39 12.634 -12.270 -2.239 334 H VAL 40 H VAL 40 4.613 -11.527 -0.419 335 HA VAL 40 HA VAL 40 5.503 -9.281 1.035 336 HB VAL 40 HB VAL 40 2.607 -10.035 0.381 337 HG11 VAL 40 HG11 VAL 40 2.123 -7.621 0.721 338 HG12 VAL 40 HG12 VAL 40 3.782 -7.369 1.271 339 HG13 VAL 40 HG13 VAL 40 2.689 -8.399 2.201 340 HG21 VAL 40 HG21 VAL 40 4.517 -8.195 -1.112 341 HG22 VAL 40 HG22 VAL 40 2.817 -8.454 -1.513 342 HG23 VAL 40 HG23 VAL 40 3.968 -9.780 -1.650 343 H LYS 41 H LYS 41 3.473 -12.026 1.962 344 HA LYS 41 HA LYS 41 2.766 -11.351 4.564 345 HB2 LYS 41 HB2 LYS 41 1.833 -13.283 3.429 346 HB3 LYS 41 HB3 LYS 41 3.418 -14.040 3.296 347 HG2 LYS 41 HG2 LYS 41 3.494 -14.220 5.785 348 HG3 LYS 41 HG3 LYS 41 1.854 -13.571 5.853 349 HD2 LYS 41 HD2 LYS 41 1.008 -15.518 4.600 350 HD3 LYS 41 HD3 LYS 41 2.653 -16.147 4.430 351 HE2 LYS 41 HE2 LYS 41 2.814 -16.357 6.899 352 HE3 LYS 41 HE3 LYS 41 1.158 -15.764 7.050 353 HZ1 LYS 41 HZ1 LYS 41 0.422 -17.698 5.753 354 HZ2 LYS 41 HZ2 LYS 41 1.200 -18.143 7.183 355 HZ3 LYS 41 HZ3 LYS 41 2.012 -18.275 5.710 356 H GLU 42 H GLU 42 5.756 -12.822 3.333 357 HA GLU 42 HA GLU 42 7.105 -13.154 5.827 358 HB2 GLU 42 HB2 GLU 42 8.327 -12.806 3.051 359 HB3 GLU 42 HB3 GLU 42 9.113 -13.524 4.451 360 HG2 GLU 42 HG2 GLU 42 6.727 -14.669 2.975 361 HG3 GLU 42 HG3 GLU 42 8.393 -15.210 2.804 362 H GLU 43 H GLU 43 6.888 -10.540 3.454 363 HA GLU 43 HA GLU 43 8.993 -8.906 4.451 364 HB2 GLU 43 HB2 GLU 43 6.581 -8.175 2.728 365 HB3 GLU 43 HB3 GLU 43 7.976 -7.140 3.000 366 HG2 GLU 43 HG2 GLU 43 8.016 -9.821 1.600 367 HG3 GLU 43 HG3 GLU 43 8.067 -8.250 0.817 368 H ILE 44 H ILE 44 5.541 -9.070 5.115 369 HA ILE 44 HA ILE 44 5.309 -6.763 6.793 370 HB ILE 44 HB ILE 44 3.569 -9.269 6.530 371 HG12 ILE 44 HG12 ILE 44 3.123 -6.448 5.437 372 HG13 ILE 44 HG13 ILE 44 3.657 -7.832 4.489 373 HG21 ILE 44 HG21 ILE 44 1.789 -8.033 7.746 374 HG22 ILE 44 HG22 ILE 44 2.924 -6.721 8.063 375 HG23 ILE 44 HG23 ILE 44 3.208 -8.313 8.760 376 HD11 ILE 44 HD11 ILE 44 1.312 -7.401 4.157 377 HD12 ILE 44 HD12 ILE 44 0.999 -7.566 5.882 378 HD13 ILE 44 HD13 ILE 44 1.541 -8.960 4.942 379 H GLU 45 H GLU 45 5.857 -10.219 7.279 380 HA GLU 45 HA GLU 45 5.865 -10.387 10.077 381 HB2 GLU 45 HB2 GLU 45 5.783 -12.269 8.400 382 HB3 GLU 45 HB3 GLU 45 7.484 -12.018 8.061 383 HG2 GLU 45 HG2 GLU 45 6.411 -12.807 10.781 384 HG3 GLU 45 HG3 GLU 45 6.895 -13.979 9.562 385 H LYS 46 H LYS 46 8.417 -9.595 7.765 386 HA LYS 46 HA LYS 46 10.542 -9.179 9.623 387 HB2 LYS 46 HB2 LYS 46 10.086 -8.338 6.736 388 HB3 LYS 46 HB3 LYS 46 11.574 -7.963 7.600 389 HG2 LYS 46 HG2 LYS 46 12.221 -10.240 7.747 390 HG3 LYS 46 HG3 LYS 46 10.589 -10.820 7.401 391 HD2 LYS 46 HD2 LYS 46 12.136 -11.161 5.484 392 HD3 LYS 46 HD3 LYS 46 10.775 -10.120 5.068 393 HE2 LYS 46 HE2 LYS 46 12.227 -8.137 5.287 394 HE3 LYS 46 HE3 LYS 46 13.582 -9.173 5.739 395 HZ1 LYS 46 HZ1 LYS 46 13.409 -10.254 3.569 396 HZ2 LYS 46 HZ2 LYS 46 13.702 -8.598 3.416 397 HZ3 LYS 46 HZ3 LYS 46 12.154 -9.208 3.130 398 H ALA 47 H ALA 47 8.091 -7.049 8.181 399 HA ALA 47 HA ALA 47 9.118 -4.559 9.055 400 HB1 ALA 47 HB1 ALA 47 6.237 -5.293 8.437 401 HB2 ALA 47 HB2 ALA 47 7.444 -4.768 7.262 402 HB3 ALA 47 HB3 ALA 47 6.908 -3.655 8.519 403 H ARG 48 H ARG 48 7.107 -6.968 10.661 404 HA ARG 48 HA ARG 48 6.222 -5.556 12.926 405 HB2 ARG 48 HB2 ARG 48 7.180 -8.454 12.906 406 HB3 ARG 48 HB3 ARG 48 6.083 -7.721 14.071 407 HG2 ARG 48 HG2 ARG 48 4.385 -7.472 12.273 408 HG3 ARG 48 HG3 ARG 48 5.495 -8.261 11.149 409 HD2 ARG 48 HD2 ARG 48 4.165 -9.454 13.592 410 HD3 ARG 48 HD3 ARG 48 3.950 -9.933 11.909 411 HE ARG 48 HE ARG 48 6.631 -10.334 12.466 412 HH11 ARG 48 HH11 ARG 48 3.572 -11.602 13.715 413 HH12 ARG 48 HH12 ARG 48 4.267 -13.123 14.186 414 HH21 ARG 48 HH21 ARG 48 7.514 -12.318 13.148 415 HH22 ARG 48 HH22 ARG 48 6.497 -13.526 13.870 416 H LYS 49 H LYS 49 9.197 -7.399 12.363 417 HA LYS 49 HA LYS 49 10.404 -7.037 14.909 418 HB2 LYS 49 HB2 LYS 49 10.845 -8.892 13.216 419 HB3 LYS 49 HB3 LYS 49 11.764 -7.749 12.263 420 HG2 LYS 49 HG2 LYS 49 12.537 -8.370 15.132 421 HG3 LYS 49 HG3 LYS 49 13.030 -9.423 13.806 422 HD2 LYS 49 HD2 LYS 49 14.165 -7.481 12.720 423 HD3 LYS 49 HD3 LYS 49 13.719 -6.471 14.096 424 HE2 LYS 49 HE2 LYS 49 15.530 -8.908 14.180 425 HE3 LYS 49 HE3 LYS 49 16.047 -7.224 14.265 426 HZ1 LYS 49 HZ1 LYS 49 16.014 -8.057 16.454 427 HZ2 LYS 49 HZ2 LYS 49 14.482 -8.738 16.265 428 HZ3 LYS 49 HZ3 LYS 49 14.656 -7.062 16.319 429 H GLN 50 H GLN 50 10.568 -5.260 11.846 430 HA GLN 50 HA GLN 50 12.747 -3.534 12.666 431 HB2 GLN 50 HB2 GLN 50 10.834 -3.367 10.293 432 HB3 GLN 50 HB3 GLN 50 12.214 -2.303 10.531 433 HG2 GLN 50 HG2 GLN 50 12.336 -5.297 10.073 434 HG3 GLN 50 HG3 GLN 50 12.701 -4.049 8.889 435 HE21 GLN 50 HE21 GLN 50 13.861 -5.788 11.649 436 HE22 GLN 50 HE22 GLN 50 15.475 -5.171 11.635 437 H GLY 51 H GLY 51 9.294 -3.538 13.067 438 HA2 GLY 51 HA2 GLY 51 7.728 -2.002 13.745 439 HA3 GLY 51 HA3 GLY 51 9.045 -1.232 14.612 440 H ARG 52 H ARG 52 9.008 -1.526 11.109 441 HA ARG 52 HA ARG 52 8.841 1.433 10.857 442 HB2 ARG 52 HB2 ARG 52 10.548 -0.534 9.249 443 HB3 ARG 52 HB3 ARG 52 10.382 1.181 8.877 444 HG2 ARG 52 HG2 ARG 52 11.398 1.732 11.084 445 HG3 ARG 52 HG3 ARG 52 11.616 0.007 11.387 446 HD2 ARG 52 HD2 ARG 52 13.020 -0.094 9.288 447 HD3 ARG 52 HD3 ARG 52 12.921 1.667 9.207 448 HE ARG 52 HE ARG 52 14.169 0.145 11.414 449 HH11 ARG 52 HH11 ARG 52 14.091 3.011 9.405 450 HH12 ARG 52 HH12 ARG 52 15.497 3.710 10.138 451 HH21 ARG 52 HH21 ARG 52 16.007 1.072 12.377 452 HH22 ARG 52 HH22 ARG 52 16.581 2.616 11.819 453 HA PRO 53 HA PRO 53 5.740 0.785 7.596 454 HB2 PRO 53 HB2 PRO 53 6.395 2.809 5.829 455 HB3 PRO 53 HB3 PRO 53 5.512 3.082 7.347 456 HG2 PRO 53 HG2 PRO 53 8.449 3.417 6.808 457 HG3 PRO 53 HG3 PRO 53 7.331 4.514 7.650 458 HD2 PRO 53 HD2 PRO 53 8.959 2.900 9.043 459 HD3 PRO 53 HD3 PRO 53 7.299 3.214 9.596 460 H ILE 54 H ILE 54 5.574 -0.158 5.582 461 HA ILE 54 HA ILE 54 7.890 -0.484 3.844 462 HB ILE 54 HB ILE 54 7.998 -2.504 5.275 463 HG12 ILE 54 HG12 ILE 54 6.964 -3.194 2.484 464 HG13 ILE 54 HG13 ILE 54 8.601 -2.660 2.845 465 HG21 ILE 54 HG21 ILE 54 6.204 -4.198 5.339 466 HG22 ILE 54 HG22 ILE 54 5.168 -3.151 4.370 467 HG23 ILE 54 HG23 ILE 54 5.639 -2.655 5.995 468 HD11 ILE 54 HD11 ILE 54 7.311 -5.217 3.787 469 HD12 ILE 54 HD12 ILE 54 8.940 -4.674 4.203 470 HD13 ILE 54 HD13 ILE 54 8.533 -5.035 2.528 471 H VAL 55 H VAL 55 7.260 -0.315 1.755 472 HA VAL 55 HA VAL 55 4.389 0.026 1.203 473 HB VAL 55 HB VAL 55 6.761 0.747 -0.584 474 HG11 VAL 55 HG11 VAL 55 3.831 1.559 -0.741 475 HG12 VAL 55 HG12 VAL 55 4.662 0.441 -1.828 476 HG13 VAL 55 HG13 VAL 55 5.119 2.144 -1.797 477 HG21 VAL 55 HG21 VAL 55 5.176 2.555 1.281 478 HG22 VAL 55 HG22 VAL 55 6.442 3.070 0.161 479 HG23 VAL 55 HG23 VAL 55 6.843 2.023 1.522 480 H VAL 56 H VAL 56 3.328 -1.279 -0.137 481 HA VAL 56 HA VAL 56 4.693 -3.407 -1.642 482 HB VAL 56 HB VAL 56 2.135 -3.763 0.032 483 HG11 VAL 56 HG11 VAL 56 2.270 -6.141 -0.649 484 HG12 VAL 56 HG12 VAL 56 3.667 -5.784 -1.667 485 HG13 VAL 56 HG13 VAL 56 2.093 -5.078 -2.048 486 HG21 VAL 56 HG21 VAL 56 4.912 -4.952 0.515 487 HG22 VAL 56 HG22 VAL 56 3.457 -5.310 1.448 488 HG23 VAL 56 HG23 VAL 56 4.145 -3.688 1.481 489 H PHE 57 H PHE 57 4.255 -2.807 -3.678 490 HA PHE 57 HA PHE 57 1.823 -1.448 -4.431 491 HB2 PHE 57 HB2 PHE 57 4.142 -2.503 -6.114 492 HB3 PHE 57 HB3 PHE 57 2.830 -1.479 -6.708 493 HD1 PHE 57 HD1 PHE 57 2.452 0.770 -5.328 494 HD2 PHE 57 HD2 PHE 57 6.138 -1.401 -5.423 495 HE1 PHE 57 HE1 PHE 57 3.662 2.788 -4.625 496 HE2 PHE 57 HE2 PHE 57 7.337 0.627 -4.722 497 HZ PHE 57 HZ PHE 57 6.105 2.720 -4.313 498 H VAL 58 H VAL 58 0.080 -2.621 -4.387 499 HA VAL 58 HA VAL 58 -0.067 -5.349 -5.508 500 HB VAL 58 HB VAL 58 -2.181 -3.790 -3.915 501 HG11 VAL 58 HG11 VAL 58 -3.338 -5.956 -3.658 502 HG12 VAL 58 HG12 VAL 58 -2.105 -6.747 -4.642 503 HG13 VAL 58 HG13 VAL 58 -3.162 -5.533 -5.364 504 HG21 VAL 58 HG21 VAL 58 -1.599 -5.210 -1.973 505 HG22 VAL 58 HG22 VAL 58 -0.222 -4.233 -2.489 506 HG23 VAL 58 HG23 VAL 58 -0.287 -5.948 -2.899 507 H ARG 59 H ARG 59 -1.669 -5.744 -7.182 508 HA ARG 59 HA ARG 59 -2.016 -3.569 -9.047 509 HB2 ARG 59 HB2 ARG 59 -1.530 -5.960 -9.671 510 HB3 ARG 59 HB3 ARG 59 -3.137 -6.406 -9.113 511 HG2 ARG 59 HG2 ARG 59 -4.161 -5.058 -10.866 512 HG3 ARG 59 HG3 ARG 59 -2.575 -4.485 -11.400 513 HD2 ARG 59 HD2 ARG 59 -1.963 -6.906 -11.866 514 HD3 ARG 59 HD3 ARG 59 -3.644 -7.328 -11.517 515 HE ARG 59 HE ARG 59 -4.093 -5.603 -13.421 516 HH11 ARG 59 HH11 ARG 59 -1.505 -7.994 -13.323 517 HH12 ARG 59 HH12 ARG 59 -1.409 -8.152 -15.050 518 HH21 ARG 59 HH21 ARG 59 -3.957 -5.807 -15.707 519 HH22 ARG 59 HH22 ARG 59 -2.808 -6.906 -16.403 520 H GLY 60 H GLY 60 -3.815 -2.336 -9.341 521 HA2 GLY 60 HA2 GLY 60 -5.853 -2.212 -7.318 522 HA3 GLY 60 HA3 GLY 60 -5.677 -1.160 -8.716 523 H GLY 61 H GLY 61 -6.693 -4.408 -7.784 524 HA2 GLY 61 HA2 GLY 61 -9.153 -4.524 -9.078 525 HA3 GLY 61 HA3 GLY 61 -7.961 -5.153 -10.222 526 H ASP 62 H ASP 62 -6.196 -6.231 -8.180 527 HA ASP 62 HA ASP 62 -7.448 -8.750 -7.619 528 HB2 ASP 62 HB2 ASP 62 -4.743 -7.548 -6.911 529 HB3 ASP 62 HB3 ASP 62 -5.234 -9.125 -6.294 530 H ASP 63 H ASP 63 -9.249 -8.116 -6.412 531 HA ASP 63 HA ASP 63 -9.284 -6.756 -3.966 532 HB2 ASP 63 HB2 ASP 63 -11.372 -7.185 -5.100 533 HB3 ASP 63 HB3 ASP 63 -11.099 -8.923 -5.102 534 H GLU 64 H GLU 64 -8.989 -10.257 -4.653 535 HA GLU 64 HA GLU 64 -9.021 -11.140 -1.987 536 HB2 GLU 64 HB2 GLU 64 -9.491 -12.585 -3.996 537 HB3 GLU 64 HB3 GLU 64 -7.765 -12.593 -4.359 538 HG2 GLU 64 HG2 GLU 64 -7.295 -13.704 -2.220 539 HG3 GLU 64 HG3 GLU 64 -9.001 -13.630 -1.782 540 H ARG 65 H ARG 65 -6.271 -10.626 -4.204 541 HA ARG 65 HA ARG 65 -4.261 -11.441 -2.384 542 HB2 ARG 65 HB2 ARG 65 -4.077 -9.713 -4.894 543 HB3 ARG 65 HB3 ARG 65 -2.678 -10.339 -4.016 544 HG2 ARG 65 HG2 ARG 65 -3.463 -12.651 -4.402 545 HG3 ARG 65 HG3 ARG 65 -4.846 -12.035 -5.303 546 HD2 ARG 65 HD2 ARG 65 -3.375 -11.181 -7.049 547 HD3 ARG 65 HD3 ARG 65 -1.948 -11.617 -6.109 548 HE ARG 65 HE ARG 65 -2.227 -13.837 -6.663 549 HH11 ARG 65 HH11 ARG 65 -5.036 -12.078 -7.872 550 HH12 ARG 65 HH12 ARG 65 -5.612 -13.425 -8.804 551 HH21 ARG 65 HH21 ARG 65 -3.053 -15.602 -7.789 552 HH22 ARG 65 HH22 ARG 65 -4.488 -15.423 -8.757 553 H ALA 66 H ALA 66 -5.685 -8.262 -3.049 554 HA ALA 66 HA ALA 66 -3.922 -6.703 -1.458 555 HB1 ALA 66 HB1 ALA 66 -5.673 -4.982 -1.519 556 HB2 ALA 66 HB2 ALA 66 -6.836 -6.163 -2.140 557 HB3 ALA 66 HB3 ALA 66 -5.437 -5.699 -3.111 558 H LYS 67 H LYS 67 -7.027 -8.304 -0.714 559 HA LYS 67 HA LYS 67 -7.231 -7.126 1.905 560 HB2 LYS 67 HB2 LYS 67 -9.343 -8.197 2.093 561 HB3 LYS 67 HB3 LYS 67 -9.195 -7.707 0.413 562 HG2 LYS 67 HG2 LYS 67 -8.511 -10.078 -0.135 563 HG3 LYS 67 HG3 LYS 67 -8.896 -10.512 1.532 564 HD2 LYS 67 HD2 LYS 67 -11.240 -9.765 1.166 565 HD3 LYS 67 HD3 LYS 67 -10.841 -9.363 -0.507 566 HE2 LYS 67 HE2 LYS 67 -10.234 -11.779 -0.869 567 HE3 LYS 67 HE3 LYS 67 -10.842 -12.125 0.754 568 HZ1 LYS 67 HZ1 LYS 67 -13.010 -11.366 0.097 569 HZ2 LYS 67 HZ2 LYS 67 -12.484 -12.524 -1.015 570 HZ3 LYS 67 HZ3 LYS 67 -12.439 -10.884 -1.420 571 H ASP 68 H ASP 68 -6.037 -10.184 0.663 572 HA ASP 68 HA ASP 68 -5.988 -11.656 3.102 573 HB2 ASP 68 HB2 ASP 68 -4.240 -11.927 0.613 574 HB3 ASP 68 HB3 ASP 68 -4.233 -13.078 1.939 575 H ILE 69 H ILE 69 -3.621 -9.673 1.425 576 HA ILE 69 HA ILE 69 -1.475 -9.868 3.276 577 HB ILE 69 HB ILE 69 -2.166 -7.817 1.121 578 HG12 ILE 69 HG12 ILE 69 -0.088 -10.064 1.054 579 HG13 ILE 69 HG13 ILE 69 -1.684 -10.158 0.316 580 HG21 ILE 69 HG21 ILE 69 -0.707 -6.748 2.760 581 HG22 ILE 69 HG22 ILE 69 0.160 -7.030 1.252 582 HG23 ILE 69 HG23 ILE 69 0.441 -8.085 2.637 583 HD11 ILE 69 HD11 ILE 69 0.517 -8.237 -0.467 584 HD12 ILE 69 HD12 ILE 69 -1.098 -8.301 -1.184 585 HD13 ILE 69 HD13 ILE 69 -0.006 -9.673 -1.352 586 H ALA 70 H ALA 70 -4.117 -7.542 2.796 587 HA ALA 70 HA ALA 70 -3.351 -5.588 4.687 588 HB1 ALA 70 HB1 ALA 70 -5.618 -4.696 4.359 589 HB2 ALA 70 HB2 ALA 70 -6.109 -6.201 3.575 590 HB3 ALA 70 HB3 ALA 70 -4.904 -5.163 2.813 591 H GLU 71 H GLU 71 -5.483 -8.416 4.885 592 HA GLU 71 HA GLU 71 -6.452 -7.900 7.523 593 HB2 GLU 71 HB2 GLU 71 -7.706 -9.243 5.827 594 HB3 GLU 71 HB3 GLU 71 -6.501 -10.522 5.951 595 HG2 GLU 71 HG2 GLU 71 -7.105 -10.954 8.245 596 HG3 GLU 71 HG3 GLU 71 -8.164 -9.546 8.293 597 H TYR 72 H TYR 72 -3.908 -9.976 6.152 598 HA TYR 72 HA TYR 72 -2.994 -11.238 8.476 599 HB2 TYR 72 HB2 TYR 72 -2.156 -11.913 6.283 600 HB3 TYR 72 HB3 TYR 72 -1.441 -10.329 6.009 601 HD1 TYR 72 HD1 TYR 72 -1.171 -13.371 8.212 602 HD2 TYR 72 HD2 TYR 72 0.817 -9.920 6.669 603 HE1 TYR 72 HE1 TYR 72 0.950 -14.149 9.184 604 HE2 TYR 72 HE2 TYR 72 2.927 -10.700 7.640 605 HH TYR 72 HH TYR 72 3.705 -12.162 9.416 606 H ALA 73 H ALA 73 -2.085 -8.097 7.084 607 HA ALA 73 HA ALA 73 -0.148 -7.317 8.970 608 HB1 ALA 73 HB1 ALA 73 -1.971 -5.599 7.260 609 HB2 ALA 73 HB2 ALA 73 -0.403 -6.250 6.782 610 HB3 ALA 73 HB3 ALA 73 -0.494 -5.050 8.070 611 H GLN 74 H GLN 74 -3.682 -6.834 8.880 612 HA GLN 74 HA GLN 74 -3.884 -5.223 11.216 613 HB2 GLN 74 HB2 GLN 74 -5.655 -5.328 9.475 614 HB3 GLN 74 HB3 GLN 74 -6.009 -6.994 9.921 615 HG2 GLN 74 HG2 GLN 74 -6.691 -6.222 12.187 616 HG3 GLN 74 HG3 GLN 74 -6.350 -4.560 11.703 617 HE21 GLN 74 HE21 GLN 74 -7.796 -3.495 10.322 618 HE22 GLN 74 HE22 GLN 74 -9.369 -4.113 9.976 619 H LYS 75 H LYS 75 -3.854 -8.724 10.698 620 HA LYS 75 HA LYS 75 -4.615 -9.531 13.314 621 HB2 LYS 75 HB2 LYS 75 -3.355 -10.876 10.957 622 HB3 LYS 75 HB3 LYS 75 -2.990 -11.610 12.505 623 HG2 LYS 75 HG2 LYS 75 -4.800 -12.834 11.712 624 HG3 LYS 75 HG3 LYS 75 -5.530 -11.745 12.883 625 HD2 LYS 75 HD2 LYS 75 -5.508 -11.070 9.935 626 HD3 LYS 75 HD3 LYS 75 -6.706 -12.188 10.579 627 HE2 LYS 75 HE2 LYS 75 -6.322 -9.344 11.573 628 HE3 LYS 75 HE3 LYS 75 -7.511 -9.829 10.367 629 HZ1 LYS 75 HZ1 LYS 75 -7.396 -10.752 13.185 630 HZ2 LYS 75 HZ2 LYS 75 -8.500 -11.309 12.035 631 HZ3 LYS 75 HZ3 LYS 75 -8.528 -9.692 12.520 632 H GLU 76 H GLU 76 -1.518 -8.544 11.893 633 HA GLU 76 HA GLU 76 0.016 -9.218 14.279 634 HB2 GLU 76 HB2 GLU 76 0.975 -7.454 11.993 635 HB3 GLU 76 HB3 GLU 76 1.935 -8.419 13.101 636 HG2 GLU 76 HG2 GLU 76 0.271 -9.364 10.762 637 HG3 GLU 76 HG3 GLU 76 2.013 -9.500 10.975 638 H GLY 77 H GLY 77 -2.147 -6.790 13.616 639 HA2 GLY 77 HA2 GLY 77 -2.758 -4.925 14.814 640 HA3 GLY 77 HA3 GLY 77 -1.391 -5.192 15.882 641 H LEU 78 H LEU 78 -0.713 -5.037 12.526 642 HA LEU 78 HA LEU 78 0.875 -2.629 12.878 643 HB2 LEU 78 HB2 LEU 78 0.528 -4.360 10.390 644 HB3 LEU 78 HB3 LEU 78 1.753 -3.125 10.641 645 HG LEU 78 HG LEU 78 1.572 -5.878 11.893 646 HD11 LEU 78 HD11 LEU 78 2.695 -5.722 9.737 647 HD12 LEU 78 HD12 LEU 78 3.834 -6.146 11.010 648 HD13 LEU 78 HD13 LEU 78 3.799 -4.499 10.374 649 HD21 LEU 78 HD21 LEU 78 3.505 -5.342 13.340 650 HD22 LEU 78 HD22 LEU 78 2.064 -4.431 13.779 651 HD23 LEU 78 HD23 LEU 78 3.363 -3.639 12.887 652 H ARG 79 H ARG 79 0.603 -0.706 11.665 653 HA ARG 79 HA ARG 79 -2.070 0.105 11.114 654 HB2 ARG 79 HB2 ARG 79 0.579 1.432 10.453 655 HB3 ARG 79 HB3 ARG 79 -0.989 2.206 10.238 656 HG2 ARG 79 HG2 ARG 79 -1.379 2.015 12.699 657 HG3 ARG 79 HG3 ARG 79 0.243 1.327 12.870 658 HD2 ARG 79 HD2 ARG 79 0.100 3.809 13.340 659 HD3 ARG 79 HD3 ARG 79 1.275 3.358 12.104 660 HE ARG 79 HE ARG 79 0.006 4.396 10.496 661 HH11 ARG 79 HH11 ARG 79 -1.767 4.439 13.524 662 HH12 ARG 79 HH12 ARG 79 -2.963 5.558 12.952 663 HH21 ARG 79 HH21 ARG 79 -1.635 5.740 9.721 664 HH22 ARG 79 HH22 ARG 79 -2.875 6.288 10.793 665 H VAL 80 H VAL 80 -3.187 -0.527 9.375 666 HA VAL 80 HA VAL 80 -1.799 -1.283 6.883 667 HB VAL 80 HB VAL 80 -4.766 -1.707 7.484 668 HG11 VAL 80 HG11 VAL 80 -4.603 -3.427 5.711 669 HG12 VAL 80 HG12 VAL 80 -2.898 -3.035 5.478 670 HG13 VAL 80 HG13 VAL 80 -4.138 -1.834 5.107 671 HG21 VAL 80 HG21 VAL 80 -2.492 -3.653 8.027 672 HG22 VAL 80 HG22 VAL 80 -4.214 -4.025 8.153 673 HG23 VAL 80 HG23 VAL 80 -3.484 -2.843 9.243 674 H ILE 81 H ILE 81 -1.617 0.267 5.424 675 HA ILE 81 HA ILE 81 -3.750 2.292 5.098 676 HB ILE 81 HB ILE 81 -0.734 2.585 4.704 677 HG12 ILE 81 HG12 ILE 81 -1.170 4.760 6.047 678 HG13 ILE 81 HG13 ILE 81 -2.778 4.133 6.376 679 HG21 ILE 81 HG21 ILE 81 -1.749 3.472 2.677 680 HG22 ILE 81 HG22 ILE 81 -1.179 4.810 3.669 681 HG23 ILE 81 HG23 ILE 81 -2.898 4.424 3.620 682 HD11 ILE 81 HD11 ILE 81 -0.178 2.847 7.209 683 HD12 ILE 81 HD12 ILE 81 -1.797 2.255 7.585 684 HD13 ILE 81 HD13 ILE 81 -1.250 3.798 8.240 685 H VAL 82 H VAL 82 -4.881 1.967 3.272 686 HA VAL 82 HA VAL 82 -3.664 0.419 1.035 687 HB VAL 82 HB VAL 82 -6.630 0.696 1.783 688 HG11 VAL 82 HG11 VAL 82 -5.331 -1.088 -0.306 689 HG12 VAL 82 HG12 VAL 82 -6.284 0.359 -0.632 690 HG13 VAL 82 HG13 VAL 82 -7.046 -1.047 0.108 691 HG21 VAL 82 HG21 VAL 82 -6.532 -1.658 2.518 692 HG22 VAL 82 HG22 VAL 82 -5.421 -0.660 3.460 693 HG23 VAL 82 HG23 VAL 82 -4.797 -1.707 2.182 694 H ILE 83 H ILE 83 -3.117 1.795 -0.621 695 HA ILE 83 HA ILE 83 -4.660 4.308 -1.017 696 HB ILE 83 HB ILE 83 -1.776 3.713 -1.879 697 HG12 ILE 83 HG12 ILE 83 -2.726 5.400 0.488 698 HG13 ILE 83 HG13 ILE 83 -2.030 3.792 0.615 699 HG21 ILE 83 HG21 ILE 83 -3.324 6.343 -1.873 700 HG22 ILE 83 HG22 ILE 83 -2.865 5.409 -3.300 701 HG23 ILE 83 HG23 ILE 83 -1.621 6.153 -2.295 702 HD11 ILE 83 HD11 ILE 83 -0.618 6.251 -0.405 703 HD12 ILE 83 HD12 ILE 83 0.076 4.629 -0.292 704 HD13 ILE 83 HD13 ILE 83 -0.416 5.482 1.170 705 H ILE 84 H ILE 84 -6.155 3.851 -2.601 706 HA ILE 84 HA ILE 84 -5.457 2.198 -4.900 707 HB ILE 84 HB ILE 84 -8.048 3.687 -4.233 708 HG12 ILE 84 HG12 ILE 84 -8.992 1.314 -4.187 709 HG13 ILE 84 HG13 ILE 84 -7.349 0.707 -4.335 710 HG21 ILE 84 HG21 ILE 84 -7.749 3.728 -6.677 711 HG22 ILE 84 HG22 ILE 84 -9.035 2.603 -6.245 712 HG23 ILE 84 HG23 ILE 84 -7.442 1.986 -6.689 713 HD11 ILE 84 HD11 ILE 84 -6.794 1.673 -2.168 714 HD12 ILE 84 HD12 ILE 84 -8.186 0.595 -2.051 715 HD13 ILE 84 HD13 ILE 84 -8.423 2.342 -2.039 716 H VAL 85 H VAL 85 -4.549 2.978 -6.646 717 HA VAL 85 HA VAL 85 -4.506 5.846 -7.238 718 HB VAL 85 HB VAL 85 -2.371 3.813 -8.019 719 HG11 VAL 85 HG11 VAL 85 -1.019 5.835 -8.538 720 HG12 VAL 85 HG12 VAL 85 -2.406 6.856 -8.152 721 HG13 VAL 85 HG13 VAL 85 -2.482 5.744 -9.522 722 HG21 VAL 85 HG21 VAL 85 -2.403 4.016 -5.574 723 HG22 VAL 85 HG22 VAL 85 -2.318 5.774 -5.694 724 HG23 VAL 85 HG23 VAL 85 -0.958 4.786 -6.235 725 H SER 86 H SER 86 -6.012 6.101 -8.717 726 HA SER 86 HA SER 86 -5.797 4.787 -11.308 727 HB2 SER 86 HB2 SER 86 -8.410 4.799 -9.712 728 HB3 SER 86 HB3 SER 86 -8.231 4.247 -11.375 729 HG SER 86 HG SER 86 -6.477 2.871 -10.112 730 H GLN 87 H GLN 87 -6.762 6.034 -12.945 731 HA GLN 87 HA GLN 87 -7.336 8.860 -12.315 732 HB2 GLN 87 HB2 GLN 87 -7.040 9.243 -14.736 733 HB3 GLN 87 HB3 GLN 87 -5.654 8.382 -14.079 734 HG2 GLN 87 HG2 GLN 87 -6.646 6.244 -14.959 735 HG3 GLN 87 HG3 GLN 87 -7.903 7.206 -15.734 736 HE21 GLN 87 HE21 GLN 87 -7.290 8.620 -17.464 737 HE22 GLN 87 HE22 GLN 87 -5.843 8.347 -18.369 738 H ASP 88 H ASP 88 -9.117 6.229 -12.161 739 HA ASP 88 HA ASP 88 -11.552 7.351 -13.443 740 HB2 ASP 88 HB2 ASP 88 -10.899 5.157 -14.375 741 HB3 ASP 88 HB3 ASP 88 -10.846 4.451 -12.764 742 H GLU 89 H GLU 89 -13.163 7.916 -12.110 743 HA GLU 89 HA GLU 89 -12.761 8.283 -9.362 744 HB2 GLU 89 HB2 GLU 89 -15.287 8.482 -11.044 745 HB3 GLU 89 HB3 GLU 89 -15.271 8.877 -9.331 746 HG2 GLU 89 HG2 GLU 89 -15.127 10.886 -10.738 747 HG3 GLU 89 HG3 GLU 89 -13.713 10.695 -9.705 748 H GLU 90 H GLU 90 -14.631 5.798 -11.080 749 HA GLU 90 HA GLU 90 -15.960 4.780 -8.756 750 HB2 GLU 90 HB2 GLU 90 -15.537 3.490 -11.488 751 HB3 GLU 90 HB3 GLU 90 -16.645 2.906 -10.246 752 HG2 GLU 90 HG2 GLU 90 -16.825 5.596 -11.632 753 HG3 GLU 90 HG3 GLU 90 -17.790 4.180 -12.025 754 H ALA 91 H ALA 91 -12.997 3.869 -10.476 755 HA ALA 91 HA ALA 91 -12.396 1.513 -9.026 756 HB1 ALA 91 HB1 ALA 91 -10.093 1.827 -9.852 757 HB2 ALA 91 HB2 ALA 91 -10.497 3.473 -10.354 758 HB3 ALA 91 HB3 ALA 91 -11.276 2.093 -11.132 759 H LEU 92 H LEU 92 -11.778 4.917 -8.424 760 HA LEU 92 HA LEU 92 -10.115 4.650 -6.115 761 HB2 LEU 92 HB2 LEU 92 -11.800 6.976 -7.121 762 HB3 LEU 92 HB3 LEU 92 -10.600 7.105 -5.842 763 HG LEU 92 HG LEU 92 -9.897 6.222 -8.668 764 HD11 LEU 92 HD11 LEU 92 -10.849 8.463 -8.814 765 HD12 LEU 92 HD12 LEU 92 -9.113 8.505 -9.110 766 HD13 LEU 92 HD13 LEU 92 -9.755 9.039 -7.553 767 HD21 LEU 92 HD21 LEU 92 -8.283 5.560 -6.951 768 HD22 LEU 92 HD22 LEU 92 -8.153 7.233 -6.400 769 HD23 LEU 92 HD23 LEU 92 -7.605 6.789 -8.019 770 H ARG 93 H ARG 93 -13.584 5.305 -6.577 771 HA ARG 93 HA ARG 93 -14.201 5.830 -3.848 772 HB2 ARG 93 HB2 ARG 93 -16.014 5.136 -6.207 773 HB3 ARG 93 HB3 ARG 93 -16.607 5.642 -4.629 774 HG2 ARG 93 HG2 ARG 93 -15.647 7.850 -4.891 775 HG3 ARG 93 HG3 ARG 93 -14.810 7.370 -6.370 776 HD2 ARG 93 HD2 ARG 93 -17.012 7.011 -7.481 777 HD3 ARG 93 HD3 ARG 93 -17.829 7.543 -6.007 778 HE ARG 93 HE ARG 93 -16.156 9.620 -6.640 779 HH11 ARG 93 HH11 ARG 93 -18.728 7.954 -8.401 780 HH12 ARG 93 HH12 ARG 93 -19.164 9.360 -9.323 781 HH21 ARG 93 HH21 ARG 93 -16.739 11.447 -7.870 782 HH22 ARG 93 HH22 ARG 93 -18.033 11.344 -9.024 783 H LYS 94 H LYS 94 -14.804 3.023 -5.977 784 HA LYS 94 HA LYS 94 -16.109 1.463 -3.979 785 HB2 LYS 94 HB2 LYS 94 -14.880 0.563 -6.626 786 HB3 LYS 94 HB3 LYS 94 -15.952 -0.405 -5.611 787 HG2 LYS 94 HG2 LYS 94 -17.722 1.403 -5.914 788 HG3 LYS 94 HG3 LYS 94 -16.648 2.150 -7.099 789 HD2 LYS 94 HD2 LYS 94 -18.343 0.784 -8.223 790 HD3 LYS 94 HD3 LYS 94 -16.734 0.099 -8.478 791 HE2 LYS 94 HE2 LYS 94 -18.493 -1.610 -7.970 792 HE3 LYS 94 HE3 LYS 94 -17.148 -1.629 -6.826 793 HZ1 LYS 94 HZ1 LYS 94 -19.271 -1.799 -5.690 794 HZ2 LYS 94 HZ2 LYS 94 -19.796 -0.350 -6.377 795 HZ3 LYS 94 HZ3 LYS 94 -18.517 -0.345 -5.278 796 H GLY 95 H GLY 95 -12.781 1.558 -5.242 797 HA2 GLY 95 HA2 GLY 95 -11.712 -0.564 -3.695 798 HA3 GLY 95 HA3 GLY 95 -10.802 0.774 -4.383 799 H TYR 96 H TYR 96 -12.239 2.852 -3.000 800 HA TYR 96 HA TYR 96 -10.794 3.069 -0.588 801 HB2 TYR 96 HB2 TYR 96 -11.469 5.073 -1.719 802 HB3 TYR 96 HB3 TYR 96 -13.157 4.602 -1.707 803 HD1 TYR 96 HD2 TYR 96 -10.403 5.273 0.824 804 HD2 TYR 96 HD1 TYR 96 -14.531 5.777 -0.212 805 HE1 TYR 96 HE2 TYR 96 -10.747 6.656 2.824 806 HE2 TYR 96 HE1 TYR 96 -14.868 7.149 1.795 807 HH TYR 96 HH TYR 96 -12.284 8.352 3.676 808 H GLU 97 H GLU 97 -14.228 2.550 -1.199 809 HA GLU 97 HA GLU 97 -14.975 2.462 1.540 810 HB2 GLU 97 HB2 GLU 97 -16.493 1.715 -0.994 811 HB3 GLU 97 HB3 GLU 97 -17.223 1.837 0.607 812 HG2 GLU 97 HG2 GLU 97 -16.763 4.211 0.724 813 HG3 GLU 97 HG3 GLU 97 -15.812 4.156 -0.758 814 H ASP 98 H ASP 98 -14.112 0.014 -0.816 815 HA ASP 98 HA ASP 98 -15.398 -2.238 0.345 816 HB2 ASP 98 HB2 ASP 98 -14.613 -2.126 -2.040 817 HB3 ASP 98 HB3 ASP 98 -12.940 -2.172 -1.486 818 H LYS 99 H LYS 99 -11.974 -1.187 0.476 819 HA LYS 99 HA LYS 99 -11.246 -3.258 2.359 820 HB2 LYS 99 HB2 LYS 99 -9.687 -0.888 1.245 821 HB3 LYS 99 HB3 LYS 99 -9.014 -2.006 2.423 822 HG2 LYS 99 HG2 LYS 99 -8.185 -2.731 0.328 823 HG3 LYS 99 HG3 LYS 99 -9.457 -3.881 0.739 824 HD2 LYS 99 HD2 LYS 99 -11.010 -2.637 -0.787 825 HD3 LYS 99 HD3 LYS 99 -9.680 -1.561 -1.221 826 HE2 LYS 99 HE2 LYS 99 -9.867 -3.182 -2.975 827 HE3 LYS 99 HE3 LYS 99 -8.426 -3.605 -2.056 828 HZ1 LYS 99 HZ1 LYS 99 -9.710 -5.564 -2.587 829 HZ2 LYS 99 HZ2 LYS 99 -11.089 -4.923 -1.859 830 HZ3 LYS 99 HZ3 LYS 99 -9.741 -5.317 -0.913 831 H LYS 100 H LYS 100 -12.339 0.066 2.577 832 HA LYS 100 HA LYS 100 -11.453 0.631 5.231 833 HB2 LYS 100 HB2 LYS 100 -12.031 2.404 3.629 834 HB3 LYS 100 HB3 LYS 100 -13.712 1.882 3.618 835 HG2 LYS 100 HG2 LYS 100 -13.964 2.542 5.966 836 HG3 LYS 100 HG3 LYS 100 -12.252 2.976 6.046 837 HD2 LYS 100 HD2 LYS 100 -12.587 4.778 4.421 838 HD3 LYS 100 HD3 LYS 100 -14.275 4.299 4.188 839 HE2 LYS 100 HE2 LYS 100 -13.125 5.258 6.835 840 HE3 LYS 100 HE3 LYS 100 -13.962 6.295 5.682 841 HZ1 LYS 100 HZ1 LYS 100 -15.946 4.947 5.943 842 HZ2 LYS 100 HZ2 LYS 100 -15.430 5.519 7.448 843 HZ3 LYS 100 HZ3 LYS 100 -15.143 3.913 7.013 844 H LYS 101 H LYS 101 -14.294 -1.014 3.955 845 HA LYS 101 HA LYS 101 -15.860 -1.112 6.328 846 HB2 LYS 101 HB2 LYS 101 -15.714 -3.049 3.978 847 HB3 LYS 101 HB3 LYS 101 -16.893 -3.190 5.285 848 HG2 LYS 101 HG2 LYS 101 -17.856 -1.021 4.708 849 HG3 LYS 101 HG3 LYS 101 -16.639 -0.786 3.451 850 HD2 LYS 101 HD2 LYS 101 -17.523 -2.833 2.287 851 HD3 LYS 101 HD3 LYS 101 -18.802 -2.926 3.506 852 HE2 LYS 101 HE2 LYS 101 -19.631 -1.852 1.471 853 HE3 LYS 101 HE3 LYS 101 -19.615 -0.694 2.802 854 HZ1 LYS 101 HZ1 LYS 101 -18.766 0.289 0.785 855 HZ2 LYS 101 HZ2 LYS 101 -17.578 -0.907 0.647 856 HZ3 LYS 101 HZ3 LYS 101 -17.528 0.190 1.934 857 H LYS 102 H LYS 102 -13.116 -2.973 5.204 858 HA LYS 102 HA LYS 102 -13.218 -4.956 7.321 859 HB2 LYS 102 HB2 LYS 102 -11.136 -4.357 5.184 860 HB3 LYS 102 HB3 LYS 102 -11.039 -5.703 6.316 861 HG2 LYS 102 HG2 LYS 102 -13.135 -6.650 5.376 862 HG3 LYS 102 HG3 LYS 102 -13.226 -5.295 4.244 863 HD2 LYS 102 HD2 LYS 102 -12.297 -7.330 3.180 864 HD3 LYS 102 HD3 LYS 102 -11.149 -5.997 3.164 865 HE2 LYS 102 HE2 LYS 102 -10.086 -8.165 3.723 866 HE3 LYS 102 HE3 LYS 102 -9.916 -6.985 5.019 867 HZ1 LYS 102 HZ1 LYS 102 -11.896 -8.097 6.066 868 HZ2 LYS 102 HZ2 LYS 102 -10.486 -9.021 6.016 869 HZ3 LYS 102 HZ3 LYS 102 -11.731 -9.325 4.914 870 H GLY 103 H GLY 103 -12.276 -1.756 7.247 871 HA2 GLY 103 HA2 GLY 103 -11.721 -0.549 9.136 872 HA3 GLY 103 HA3 GLY 103 -11.207 -2.025 9.933 873 H TYR 104 H TYR 104 -10.143 -0.521 6.871 874 HA TYR 104 HA TYR 104 -7.373 -0.306 7.947 875 HB2 TYR 104 HB2 TYR 104 -8.187 -0.547 5.012 876 HB3 TYR 104 HB3 TYR 104 -6.554 -0.645 5.665 877 HD1 TYR 104 HD2 TYR 104 -6.878 -2.558 7.917 878 HD2 TYR 104 HD1 TYR 104 -8.588 -2.653 4.003 879 HE1 TYR 104 HE2 TYR 104 -7.109 -4.992 8.070 880 HE2 TYR 104 HE1 TYR 104 -8.815 -5.076 4.161 881 HH TYR 104 HH TYR 104 -8.417 -6.768 7.082 882 H ASP 105 H ASP 105 -6.212 1.642 7.518 883 HA ASP 105 HA ASP 105 -7.729 4.041 6.969 884 HB2 ASP 105 HB2 ASP 105 -4.691 3.672 7.110 885 HB3 ASP 105 HB3 ASP 105 -5.535 5.215 7.113 886 H VAL 106 H VAL 106 -8.532 4.138 4.888 887 HA VAL 106 HA VAL 106 -6.778 3.254 2.677 888 HB VAL 106 HB VAL 106 -9.829 3.581 2.620 889 HG11 VAL 106 HG11 VAL 106 -7.894 2.329 0.621 890 HG12 VAL 106 HG12 VAL 106 -8.778 3.841 0.405 891 HG13 VAL 106 HG13 VAL 106 -9.653 2.314 0.487 892 HG21 VAL 106 HG21 VAL 106 -9.173 1.756 4.143 893 HG22 VAL 106 HG22 VAL 106 -8.163 1.043 2.886 894 HG23 VAL 106 HG23 VAL 106 -9.915 1.104 2.679 895 H TYR 107 H TYR 107 -5.807 4.824 1.620 896 HA TYR 107 HA TYR 107 -7.021 7.496 1.353 897 HB2 TYR 107 HB2 TYR 107 -4.218 6.501 0.644 898 HB3 TYR 107 HB3 TYR 107 -4.777 8.163 0.479 899 HD1 TYR 107 HD1 TYR 107 -6.243 8.563 3.055 900 HD2 TYR 107 HD2 TYR 107 -2.510 6.640 2.280 901 HE1 TYR 107 HE1 TYR 107 -5.502 9.079 5.338 902 HE2 TYR 107 HE2 TYR 107 -1.772 7.145 4.567 903 HH TYR 107 HH TYR 107 -2.294 8.832 6.341 904 H THR 108 H THR 108 -7.344 8.401 -0.666 905 HA THR 108 HA THR 108 -7.214 6.657 -3.059 906 HB THR 108 HB THR 108 -8.976 8.277 -3.995 907 HG1 THR 108 HG1 THR 108 -9.558 9.901 -2.789 908 HG21 THR 108 HG21 THR 108 -10.885 7.232 -2.843 909 HG22 THR 108 HG22 THR 108 -9.815 6.659 -1.563 910 HG23 THR 108 HG23 THR 108 -9.635 6.036 -3.204 911 H SER 109 H SER 109 -6.805 7.842 -5.071 912 HA SER 109 HA SER 109 -5.383 10.430 -4.799 913 HB2 SER 109 HB2 SER 109 -3.872 9.671 -6.630 914 HB3 SER 109 HB3 SER 109 -3.745 8.616 -5.223 915 HG SER 109 HG SER 109 -4.993 7.107 -6.277 916 H ARG 110 H ARG 110 -5.304 11.498 -7.104 917 HA ARG 110 HA ARG 110 -7.707 10.804 -8.721 918 HB2 ARG 110 HB2 ARG 110 -7.511 13.203 -7.827 919 HB3 ARG 110 HB3 ARG 110 -6.083 13.396 -8.839 920 HG2 ARG 110 HG2 ARG 110 -8.071 14.365 -9.903 921 HG3 ARG 110 HG3 ARG 110 -7.444 13.018 -10.859 922 HD2 ARG 110 HD2 ARG 110 -9.939 13.043 -10.661 923 HD3 ARG 110 HD3 ARG 110 -9.208 11.552 -10.054 924 HE ARG 110 HE ARG 110 -9.627 13.563 -8.026 925 HH11 ARG 110 HH11 ARG 110 -11.211 10.902 -9.717 926 HH12 ARG 110 HH12 ARG 110 -12.346 10.625 -8.432 927 HH21 ARG 110 HH21 ARG 110 -11.100 13.153 -6.358 928 HH22 ARG 110 HH22 ARG 110 -12.283 11.898 -6.538 929 H ASN 111 H ASN 111 -4.260 11.351 -8.623 930 HA ASN 111 HA ASN 111 -3.786 9.413 -10.705 931 HB2 ASN 111 HB2 ASN 111 -2.541 10.861 -12.234 932 HB3 ASN 111 HB3 ASN 111 -4.152 11.541 -12.024 933 HD21 ASN 111 HD21 ASN 111 -4.371 13.459 -10.742 934 HD22 ASN 111 HD22 ASN 111 -3.027 14.502 -10.464 935 H GLU 112 H GLU 112 -1.070 10.057 -11.116 936 HA GLU 112 HA GLU 112 0.199 8.751 -9.029 937 HB2 GLU 112 HB2 GLU 112 0.995 8.920 -11.375 938 HB3 GLU 112 HB3 GLU 112 1.402 10.611 -11.111 939 HG2 GLU 112 HG2 GLU 112 2.999 9.783 -9.281 940 HG3 GLU 112 HG3 GLU 112 2.736 8.159 -9.926 941 H ASP 113 H ASP 113 -0.277 12.236 -9.470 942 HA ASP 113 HA ASP 113 1.665 13.252 -7.715 943 HB2 ASP 113 HB2 ASP 113 -1.018 14.358 -8.631 944 HB3 ASP 113 HB3 ASP 113 0.027 15.263 -7.548 945 H GLU 114 H GLU 114 -1.799 12.601 -7.116 946 HA GLU 114 HA GLU 114 -1.752 13.244 -4.337 947 HB2 GLU 114 HB2 GLU 114 -3.739 11.657 -6.005 948 HB3 GLU 114 HB3 GLU 114 -3.995 11.999 -4.308 949 HG2 GLU 114 HG2 GLU 114 -5.270 13.567 -5.581 950 HG3 GLU 114 HG3 GLU 114 -3.932 14.434 -4.828 951 H ALA 115 H ALA 115 -1.316 10.286 -6.160 952 HA ALA 115 HA ALA 115 -1.333 8.380 -4.083 953 HB1 ALA 115 HB1 ALA 115 -0.125 6.967 -5.692 954 HB2 ALA 115 HB2 ALA 115 0.223 8.382 -6.690 955 HB3 ALA 115 HB3 ALA 115 -1.441 7.832 -6.482 956 H LYS 116 H LYS 116 1.180 10.419 -5.421 957 HA LYS 116 HA LYS 116 3.434 9.388 -4.016 958 HB2 LYS 116 HB2 LYS 116 3.535 10.581 -6.181 959 HB3 LYS 116 HB3 LYS 116 2.930 12.047 -5.425 960 HG2 LYS 116 HG2 LYS 116 4.988 12.271 -4.135 961 HG3 LYS 116 HG3 LYS 116 5.601 10.747 -4.781 962 HD2 LYS 116 HD2 LYS 116 4.879 13.108 -6.566 963 HD3 LYS 116 HD3 LYS 116 6.482 12.916 -5.862 964 HE2 LYS 116 HE2 LYS 116 6.507 12.102 -8.146 965 HE3 LYS 116 HE3 LYS 116 6.723 10.737 -7.053 966 HZ1 LYS 116 HZ1 LYS 116 4.475 10.055 -7.464 967 HZ2 LYS 116 HZ2 LYS 116 5.201 10.331 -8.967 968 HZ3 LYS 116 HZ3 LYS 116 4.129 11.466 -8.324 969 H LYS 117 H LYS 117 1.115 11.990 -3.441 970 HA LYS 117 HA LYS 117 2.298 13.145 -1.126 971 HB2 LYS 117 HB2 LYS 117 -0.615 13.088 -2.039 972 HB3 LYS 117 HB3 LYS 117 0.007 14.119 -0.749 973 HG2 LYS 117 HG2 LYS 117 1.357 15.377 -2.288 974 HG3 LYS 117 HG3 LYS 117 1.042 14.235 -3.597 975 HD2 LYS 117 HD2 LYS 117 -1.402 14.888 -3.475 976 HD3 LYS 117 HD3 LYS 117 -0.957 16.142 -2.313 977 HE2 LYS 117 HE2 LYS 117 -0.003 15.931 -5.193 978 HE3 LYS 117 HE3 LYS 117 -1.165 17.095 -4.557 979 HZ1 LYS 117 HZ1 LYS 117 0.616 17.976 -3.129 980 HZ2 LYS 117 HZ2 LYS 117 0.962 18.126 -4.771 981 HZ3 LYS 117 HZ3 LYS 117 1.715 16.921 -3.862 982 H LYS 118 H LYS 118 -0.315 10.732 -1.545 983 HA LYS 118 HA LYS 118 -0.912 10.493 1.224 984 HB2 LYS 118 HB2 LYS 118 -1.707 8.694 -1.113 985 HB3 LYS 118 HB3 LYS 118 -2.371 8.567 0.515 986 HG2 LYS 118 HG2 LYS 118 -2.650 10.915 -1.376 987 HG3 LYS 118 HG3 LYS 118 -3.921 9.785 -0.907 988 HD2 LYS 118 HD2 LYS 118 -3.992 10.655 1.334 989 HD3 LYS 118 HD3 LYS 118 -2.483 11.543 1.117 990 HE2 LYS 118 HE2 LYS 118 -3.665 12.962 -0.610 991 HE3 LYS 118 HE3 LYS 118 -5.173 12.174 -0.133 992 HZ1 LYS 118 HZ1 LYS 118 -3.379 13.705 1.681 993 HZ2 LYS 118 HZ2 LYS 118 -4.846 12.981 2.119 994 HZ3 LYS 118 HZ3 LYS 118 -4.837 14.270 1.031 995 H LEU 119 H LEU 119 1.273 8.784 -0.890 996 HA LEU 119 HA LEU 119 1.781 6.544 0.781 997 HB2 LEU 119 HB2 LEU 119 2.384 6.937 -1.732 998 HB3 LEU 119 HB3 LEU 119 3.821 7.737 -1.130 999 HG LEU 119 HG LEU 119 3.119 4.845 -0.452 1000 HD11 LEU 119 HD11 LEU 119 4.966 5.815 -2.655 1001 HD12 LEU 119 HD12 LEU 119 3.392 5.044 -2.871 1002 HD13 LEU 119 HD13 LEU 119 4.720 4.137 -2.156 1003 HD21 LEU 119 HD21 LEU 119 5.523 4.653 0.120 1004 HD22 LEU 119 HD22 LEU 119 4.672 5.803 1.141 1005 HD23 LEU 119 HD23 LEU 119 5.717 6.384 -0.156 1006 H LYS 120 H LYS 120 3.412 9.689 0.352 1007 HA LYS 120 HA LYS 120 5.317 9.343 2.439 1008 HB2 LYS 120 HB2 LYS 120 4.301 11.867 1.078 1009 HB3 LYS 120 HB3 LYS 120 5.677 11.818 2.184 1010 HG2 LYS 120 HG2 LYS 120 6.873 10.297 0.666 1011 HG3 LYS 120 HG3 LYS 120 5.500 10.311 -0.451 1012 HD2 LYS 120 HD2 LYS 120 5.805 12.769 -0.758 1013 HD3 LYS 120 HD3 LYS 120 7.200 12.719 0.325 1014 HE2 LYS 120 HE2 LYS 120 8.303 11.133 -1.274 1015 HE3 LYS 120 HE3 LYS 120 6.941 11.357 -2.374 1016 HZ1 LYS 120 HZ1 LYS 120 8.825 13.461 -1.448 1017 HZ2 LYS 120 HZ2 LYS 120 7.473 13.747 -2.423 1018 HZ3 LYS 120 HZ3 LYS 120 8.745 12.790 -2.997 1019 H GLU 121 H GLU 121 2.030 10.567 2.372 1020 HA GLU 121 HA GLU 121 1.990 11.673 5.008 1021 HB2 GLU 121 HB2 GLU 121 -0.261 10.782 3.155 1022 HB3 GLU 121 HB3 GLU 121 -0.548 11.483 4.749 1023 HG2 GLU 121 HG2 GLU 121 0.580 13.565 4.069 1024 HG3 GLU 121 HG3 GLU 121 0.943 12.853 2.497 1025 H ALA 122 H ALA 122 1.361 8.475 3.664 1026 HA ALA 122 HA ALA 122 0.500 7.213 6.077 1027 HB1 ALA 122 HB1 ALA 122 1.786 6.015 3.602 1028 HB2 ALA 122 HB2 ALA 122 0.058 6.261 3.858 1029 HB3 ALA 122 HB3 ALA 122 0.939 5.116 4.868 1030 H LEU 123 H LEU 123 3.624 7.849 4.597 1031 HA LEU 123 HA LEU 123 5.251 6.436 6.483 1032 HB2 LEU 123 HB2 LEU 123 5.906 8.715 4.570 1033 HB3 LEU 123 HB3 LEU 123 7.112 7.828 5.489 1034 HG LEU 123 HG LEU 123 5.272 6.543 3.421 1035 HD11 LEU 123 HD11 LEU 123 8.169 7.363 3.061 1036 HD12 LEU 123 HD12 LEU 123 6.772 8.147 2.322 1037 HD13 LEU 123 HD13 LEU 123 7.176 6.487 1.894 1038 HD21 LEU 123 HD21 LEU 123 6.057 4.966 5.103 1039 HD22 LEU 123 HD22 LEU 123 7.730 5.450 4.815 1040 HD23 LEU 123 HD23 LEU 123 6.813 4.639 3.543 1041 H GLU 124 H GLU 124 3.798 9.648 6.399 1042 HA GLU 124 HA GLU 124 5.145 10.643 8.758 1043 HB2 GLU 124 HB2 GLU 124 2.637 11.572 7.298 1044 HB3 GLU 124 HB3 GLU 124 3.333 12.416 8.683 1045 HG2 GLU 124 HG2 GLU 124 5.409 12.807 7.416 1046 HG3 GLU 124 HG3 GLU 124 4.741 11.940 6.040 1047 H LYS 125 H LYS 125 2.201 8.811 8.105 1048 HA LYS 125 HA LYS 125 1.140 8.972 10.782 1049 HB2 LYS 125 HB2 LYS 125 0.457 7.060 8.510 1050 HB3 LYS 125 HB3 LYS 125 -0.434 7.170 10.025 1051 HG2 LYS 125 HG2 LYS 125 -0.212 9.279 7.872 1052 HG3 LYS 125 HG3 LYS 125 -1.646 8.360 8.318 1053 HD2 LYS 125 HD2 LYS 125 -1.712 9.511 10.510 1054 HD3 LYS 125 HD3 LYS 125 -0.233 10.391 10.102 1055 HE2 LYS 125 HE2 LYS 125 -1.437 11.432 8.169 1056 HE3 LYS 125 HE3 LYS 125 -2.918 10.627 8.699 1057 HZ1 LYS 125 HZ1 LYS 125 -2.764 11.834 10.799 1058 HZ2 LYS 125 HZ2 LYS 125 -2.832 12.895 9.488 1059 HZ3 LYS 125 HZ3 LYS 125 -1.362 12.614 10.271 1060 H SER 126 H SER 126 3.602 7.089 9.308 1061 HA SER 126 HA SER 126 3.620 5.033 11.400 1062 HB2 SER 126 HB2 SER 126 5.571 4.150 10.134 1063 HB3 SER 126 HB3 SER 126 4.148 4.360 9.113 1064 HG SER 126 HG SER 126 6.591 5.632 9.034 1065 H GLY 127 H GLY 127 4.684 8.186 11.112 1066 HA2 GLY 127 HA2 GLY 127 5.842 9.450 12.657 1067 HA3 GLY 127 HA3 GLY 127 6.395 7.986 13.451 1068 H SER 128 H SER 128 6.942 7.973 10.072 1069 HA SER 128 HA SER 128 9.811 8.250 10.376 1070 HB2 SER 128 HB2 SER 128 8.173 7.921 7.827 1071 HB3 SER 128 HB3 SER 128 9.912 7.652 8.013 1072 HG SER 128 HG SER 128 9.545 5.811 9.052 1073 H LEU 129 H LEU 129 7.300 9.889 8.415 1074 HA LEU 129 HA LEU 129 7.021 11.927 7.538 1075 HB2 LEU 129 HB2 LEU 129 8.873 12.726 9.792 1076 HB3 LEU 129 HB3 LEU 129 8.266 13.906 8.644 1077 HG LEU 129 HG LEU 129 5.889 13.141 9.341 1078 HD11 LEU 129 HD11 LEU 129 7.363 11.986 11.720 1079 HD12 LEU 129 HD12 LEU 129 6.480 11.066 10.500 1080 HD13 LEU 129 HD13 LEU 129 5.613 12.174 11.562 1081 HD21 LEU 129 HD21 LEU 129 5.862 14.654 11.251 1082 HD22 LEU 129 HD22 LEU 129 6.846 15.290 9.937 1083 HD23 LEU 129 HD23 LEU 129 7.624 14.577 11.352 1084 H GLU 130 H GLU 130 8.066 13.757 6.358 1085 HA GLU 130 HA GLU 130 10.596 12.949 5.021 1086 HB2 GLU 130 HB2 GLU 130 8.521 13.152 3.585 1087 HB3 GLU 130 HB3 GLU 130 8.396 14.844 4.041 1088 HG2 GLU 130 HG2 GLU 130 10.544 15.315 2.924 1089 HG3 GLU 130 HG3 GLU 130 10.720 13.613 2.515 1090 H HIS 131 H HIS 131 11.992 14.845 4.367 1091 HA HIS 131 HA HIS 131 12.509 16.770 6.371 1092 HB2 HIS 131 HB2 HIS 131 14.284 16.111 4.827 1093 HB3 HIS 131 HB3 HIS 131 13.357 16.664 3.437 1094 HD2 HIS 131 HD2 HIS 131 14.635 18.835 2.528 1095 HE1 HIS 131 HE1 HIS 131 15.401 20.666 6.260 1096 HE2 HIS 131 HE2 HIS 131 15.746 20.819 3.757 1097 H HIS 132 H HIS 132 10.454 17.628 6.779 1098 HA HIS 132 HA HIS 132 9.628 19.863 4.997 1099 HB2 HIS 132 HB2 HIS 132 8.027 18.479 7.215 1100 HB3 HIS 132 HB3 HIS 132 7.459 19.828 6.238 1101 HD2 HIS 132 HD2 HIS 132 8.253 18.545 3.272 1102 HE1 HIS 132 HE1 HIS 132 5.595 15.501 4.523 1103 HE2 HIS 132 HE2 HIS 132 6.952 16.413 2.592 1104 H HIS 133 H HIS 133 9.985 18.830 8.383 1105 HA HIS 133 HA HIS 133 10.394 19.841 10.333 1106 HB2 HIS 133 HB2 HIS 133 12.046 21.648 8.535 1107 HB3 HIS 133 HB3 HIS 133 12.010 21.862 10.283 1108 HD1 HIS 133 HD1 HIS 133 13.351 19.579 7.625 1109 HD2 HIS 133 HD2 HIS 133 13.362 19.861 11.775 1110 HE1 HIS 133 HE1 HIS 133 15.042 17.898 8.417 1111 HE2 HIS 133 HE2 HIS 133 14.954 18.020 10.925 1112 H HIS 134 H HIS 134 8.053 20.574 8.747 1113 HA HIS 134 HA HIS 134 7.127 22.777 10.478 1114 HB2 HIS 134 HB2 HIS 134 6.413 22.326 7.541 1115 HB3 HIS 134 HB3 HIS 134 5.484 23.373 8.606 1116 HD1 HIS 134 HD1 HIS 134 6.389 25.710 9.030 1117 HD2 HIS 134 HD2 HIS 134 8.990 23.362 6.799 1118 HE1 HIS 134 HE1 HIS 134 8.140 27.274 8.168 1119 HE2 HIS 134 HE2 HIS 134 9.700 25.842 6.821 1120 H HIS 135 H HIS 135 4.709 22.625 10.779 1121 HA HIS 135 HA HIS 135 3.898 19.904 11.336 1122 HB2 HIS 135 HB2 HIS 135 2.467 22.577 11.708 1123 HB3 HIS 135 HB3 HIS 135 1.735 21.033 12.126 1124 HD1 HIS 135 HD1 HIS 135 1.760 20.852 14.592 1125 HD2 HIS 135 HD2 HIS 135 5.294 22.509 13.171 1126 HE1 HIS 135 HE1 HIS 135 3.192 21.213 16.622 1127 HE2 HIS 135 HE2 HIS 135 5.293 22.281 15.738 1128 H HIS 136 H HIS 136 3.943 19.052 9.163 1129 HA HIS 136 HA HIS 136 2.127 20.032 7.137 1130 HB2 HIS 136 HB2 HIS 136 4.246 18.971 6.459 1131 HB3 HIS 136 HB3 HIS 136 3.778 17.459 7.234 1132 HD1 HIS 136 HD1 HIS 136 2.371 15.866 5.890 1133 HD2 HIS 136 HD2 HIS 136 2.685 19.580 4.059 1134 HE1 HIS 136 HE1 HIS 136 1.323 15.583 3.633 1135 HE2 HIS 136 HE2 HIS 136 1.499 17.847 2.554 Start of MODEL 12 1 H1 MET 1 H1 MET 1 6.148 -4.128 16.741 2 H2 MET 1 H2 MET 1 5.264 -5.265 15.862 3 H3 MET 1 H3 MET 1 4.676 -4.702 17.340 4 HA MET 1 HA MET 1 3.501 -3.718 15.517 5 HB2 MET 1 HB2 MET 1 5.323 -1.760 16.989 6 HB3 MET 1 HB3 MET 1 3.881 -1.288 16.094 7 HG2 MET 1 HG2 MET 1 2.508 -2.683 17.631 8 HG3 MET 1 HG3 MET 1 3.963 -3.052 18.555 9 HE1 MET 1 HE1 MET 1 1.373 -0.275 17.516 10 HE2 MET 1 HE2 MET 1 2.870 0.413 16.884 11 HE3 MET 1 HE3 MET 1 2.065 1.163 18.264 12 H GLY 2 H GLY 2 3.669 -1.863 13.947 13 HA2 GLY 2 HA2 GLY 2 5.736 -1.110 12.352 14 HA3 GLY 2 HA3 GLY 2 5.369 -2.750 11.799 15 H VAL 3 H VAL 3 4.871 -1.338 9.813 16 HA VAL 3 HA VAL 3 1.977 -0.721 9.731 17 HB VAL 3 HB VAL 3 4.167 1.176 8.715 18 HG11 VAL 3 HG11 VAL 3 1.158 1.505 8.474 19 HG12 VAL 3 HG12 VAL 3 2.275 1.166 7.150 20 HG13 VAL 3 HG13 VAL 3 2.368 2.705 8.010 21 HG21 VAL 3 HG21 VAL 3 3.901 1.369 11.134 22 HG22 VAL 3 HG22 VAL 3 2.160 1.577 10.958 23 HG23 VAL 3 HG23 VAL 3 3.258 2.809 10.347 24 H VAL 4 H VAL 4 1.051 -1.357 7.784 25 HA VAL 4 HA VAL 4 2.857 -2.167 5.560 26 HB VAL 4 HB VAL 4 0.198 -3.483 6.316 27 HG11 VAL 4 HG11 VAL 4 0.764 -5.164 4.592 28 HG12 VAL 4 HG12 VAL 4 2.198 -4.234 4.153 29 HG13 VAL 4 HG13 VAL 4 0.591 -3.550 3.898 30 HG21 VAL 4 HG21 VAL 4 3.015 -4.577 6.666 31 HG22 VAL 4 HG22 VAL 4 1.518 -5.456 6.986 32 HG23 VAL 4 HG23 VAL 4 1.937 -4.049 7.961 33 H ILE 5 H ILE 5 2.632 -0.689 4.036 34 HA ILE 5 HA ILE 5 0.073 0.661 3.475 35 HB ILE 5 HB ILE 5 2.928 1.328 2.587 36 HG12 ILE 5 HG12 ILE 5 1.199 2.713 4.690 37 HG13 ILE 5 HG13 ILE 5 2.563 1.662 5.036 38 HG21 ILE 5 HG21 ILE 5 0.392 2.945 2.172 39 HG22 ILE 5 HG22 ILE 5 1.301 2.099 0.919 40 HG23 ILE 5 HG23 ILE 5 2.024 3.471 1.761 41 HD11 ILE 5 HD11 ILE 5 4.064 3.277 3.960 42 HD12 ILE 5 HD12 ILE 5 3.170 3.970 5.310 43 HD13 ILE 5 HD13 ILE 5 2.686 4.341 3.656 44 H LEU 6 H LEU 6 -1.047 -0.551 2.012 45 HA LEU 6 HA LEU 6 0.256 -1.990 -0.189 46 HB2 LEU 6 HB2 LEU 6 -2.651 -1.954 0.694 47 HB3 LEU 6 HB3 LEU 6 -1.949 -3.069 -0.456 48 HG LEU 6 HG LEU 6 -1.153 -2.954 2.480 49 HD11 LEU 6 HD11 LEU 6 -2.528 -4.961 2.806 50 HD12 LEU 6 HD12 LEU 6 -3.151 -4.809 1.159 51 HD13 LEU 6 HD13 LEU 6 -3.492 -3.555 2.359 52 HD21 LEU 6 HD21 LEU 6 -0.620 -5.052 0.358 53 HD22 LEU 6 HD22 LEU 6 -0.174 -5.158 2.065 54 HD23 LEU 6 HD23 LEU 6 0.553 -3.923 1.043 55 H VAL 7 H VAL 7 0.687 -0.507 -1.769 56 HA VAL 7 HA VAL 7 -1.266 1.504 -2.572 57 HB VAL 7 HB VAL 7 1.518 0.914 -3.703 58 HG11 VAL 7 HG11 VAL 7 1.347 3.137 -4.763 59 HG12 VAL 7 HG12 VAL 7 -0.297 3.315 -4.148 60 HG13 VAL 7 HG13 VAL 7 0.071 2.062 -5.336 61 HG21 VAL 7 HG21 VAL 7 2.274 2.887 -2.419 62 HG22 VAL 7 HG22 VAL 7 1.637 1.636 -1.348 63 HG23 VAL 7 HG23 VAL 7 0.661 3.059 -1.720 64 H LEU 8 H LEU 8 -2.921 0.650 -3.689 65 HA LEU 8 HA LEU 8 -2.602 -1.452 -5.697 66 HB2 LEU 8 HB2 LEU 8 -5.011 -0.043 -4.486 67 HB3 LEU 8 HB3 LEU 8 -5.173 -1.036 -5.923 68 HG LEU 8 HG LEU 8 -4.347 -3.017 -4.632 69 HD11 LEU 8 HD11 LEU 8 -4.228 -2.960 -2.192 70 HD12 LEU 8 HD12 LEU 8 -4.459 -1.213 -2.209 71 HD13 LEU 8 HD13 LEU 8 -3.009 -1.918 -2.925 72 HD21 LEU 8 HD21 LEU 8 -6.747 -2.642 -4.919 73 HD22 LEU 8 HD22 LEU 8 -6.794 -1.659 -3.453 74 HD23 LEU 8 HD23 LEU 8 -6.414 -3.378 -3.353 75 H THR 9 H THR 9 -1.741 -0.675 -7.569 76 HA THR 9 HA THR 9 -2.656 1.932 -8.655 77 HB THR 9 HB THR 9 -0.629 1.778 -10.121 78 HG1 THR 9 HG1 THR 9 -0.170 -0.345 -10.339 79 HG21 THR 9 HG21 THR 9 1.107 2.128 -8.415 80 HG22 THR 9 HG22 THR 9 0.061 1.408 -7.188 81 HG23 THR 9 HG23 THR 9 -0.392 2.934 -7.950 82 H GLY 10 H GLY 10 -3.788 1.982 -10.548 83 HA2 GLY 10 HA2 GLY 10 -4.916 -0.333 -11.754 84 HA3 GLY 10 HA3 GLY 10 -4.960 1.303 -12.398 85 H ASP 11 H ASP 11 -2.478 1.967 -12.875 86 HA ASP 11 HA ASP 11 -1.417 0.087 -14.852 87 HB2 ASP 11 HB2 ASP 11 -0.383 2.888 -14.210 88 HB3 ASP 11 HB3 ASP 11 -0.067 1.932 -15.655 89 H GLU 12 H GLU 12 0.106 -1.292 -14.218 90 HA GLU 12 HA GLU 12 1.409 -1.446 -11.748 91 HB2 GLU 12 HB2 GLU 12 1.085 -3.340 -13.305 92 HB3 GLU 12 HB3 GLU 12 2.209 -2.612 -14.446 93 HG2 GLU 12 HG2 GLU 12 4.023 -2.860 -12.720 94 HG3 GLU 12 HG3 GLU 12 2.869 -3.723 -11.698 95 H ARG 13 H ARG 13 2.268 0.241 -14.670 96 HA ARG 13 HA ARG 13 4.909 0.946 -14.391 97 HB2 ARG 13 HB2 ARG 13 3.489 1.457 -16.349 98 HB3 ARG 13 HB3 ARG 13 2.590 2.648 -15.426 99 HG2 ARG 13 HG2 ARG 13 5.564 3.018 -15.728 100 HG3 ARG 13 HG3 ARG 13 4.543 3.340 -17.122 101 HD2 ARG 13 HD2 ARG 13 3.332 5.059 -15.894 102 HD3 ARG 13 HD3 ARG 13 4.215 4.681 -14.412 103 HE ARG 13 HE ARG 13 6.244 5.315 -15.995 104 HH11 ARG 13 HH11 ARG 13 3.166 6.958 -15.627 105 HH12 ARG 13 HH12 ARG 13 3.811 8.526 -16.006 106 HH21 ARG 13 HH21 ARG 13 7.106 7.370 -16.441 107 HH22 ARG 13 HH22 ARG 13 6.068 8.756 -16.472 108 H ILE 14 H ILE 14 2.078 2.581 -12.938 109 HA ILE 14 HA ILE 14 3.436 4.792 -11.812 110 HB ILE 14 HB ILE 14 0.808 3.561 -10.845 111 HG12 ILE 14 HG12 ILE 14 1.209 5.761 -12.932 112 HG13 ILE 14 HG13 ILE 14 0.756 4.099 -13.293 113 HG21 ILE 14 HG21 ILE 14 0.296 5.835 -9.986 114 HG22 ILE 14 HG22 ILE 14 1.898 6.379 -10.478 115 HG23 ILE 14 HG23 ILE 14 1.733 5.154 -9.219 116 HD11 ILE 14 HD11 ILE 14 -1.165 5.563 -13.376 117 HD12 ILE 14 HD12 ILE 14 -0.894 6.067 -11.708 118 HD13 ILE 14 HD13 ILE 14 -1.335 4.396 -12.068 119 H ALA 15 H ALA 15 2.882 1.526 -10.637 120 HA ALA 15 HA ALA 15 3.340 1.779 -7.893 121 HB1 ALA 15 HB1 ALA 15 2.455 -0.259 -8.947 122 HB2 ALA 15 HB2 ALA 15 3.849 -0.629 -7.929 123 HB3 ALA 15 HB3 ALA 15 4.025 -0.571 -9.686 124 H GLU 16 H GLU 16 5.660 1.400 -10.548 125 HA GLU 16 HA GLU 16 8.017 1.178 -8.914 126 HB2 GLU 16 HB2 GLU 16 7.631 1.766 -11.877 127 HB3 GLU 16 HB3 GLU 16 9.205 1.512 -11.130 128 HG2 GLU 16 HG2 GLU 16 6.962 -0.521 -11.201 129 HG3 GLU 16 HG3 GLU 16 8.354 -0.502 -12.280 130 H GLU 17 H GLU 17 6.322 3.809 -10.508 131 HA GLU 17 HA GLU 17 8.338 5.817 -10.297 132 HB2 GLU 17 HB2 GLU 17 5.328 6.193 -10.537 133 HB3 GLU 17 HB3 GLU 17 6.563 7.381 -10.939 134 HG2 GLU 17 HG2 GLU 17 6.096 4.752 -12.373 135 HG3 GLU 17 HG3 GLU 17 5.592 6.336 -12.945 136 H LEU 18 H LEU 18 5.639 4.833 -8.255 137 HA LEU 18 HA LEU 18 6.084 6.792 -6.189 138 HB2 LEU 18 HB2 LEU 18 4.505 4.190 -6.136 139 HB3 LEU 18 HB3 LEU 18 4.468 5.417 -4.879 140 HG LEU 18 HG LEU 18 3.487 5.806 -7.738 141 HD11 LEU 18 HD11 LEU 18 2.048 4.296 -6.461 142 HD12 LEU 18 HD12 LEU 18 1.240 5.828 -6.783 143 HD13 LEU 18 HD13 LEU 18 1.898 5.499 -5.176 144 HD21 LEU 18 HD21 LEU 18 3.334 7.721 -5.379 145 HD22 LEU 18 HD22 LEU 18 2.588 7.964 -6.960 146 HD23 LEU 18 HD23 LEU 18 4.341 7.915 -6.816 147 H ARG 19 H ARG 19 7.108 3.465 -6.851 148 HA ARG 19 HA ARG 19 8.003 2.660 -4.319 149 HB2 ARG 19 HB2 ARG 19 7.715 1.098 -6.260 150 HB3 ARG 19 HB3 ARG 19 9.158 1.774 -7.011 151 HG2 ARG 19 HG2 ARG 19 10.514 0.974 -5.068 152 HG3 ARG 19 HG3 ARG 19 9.056 0.267 -4.368 153 HD2 ARG 19 HD2 ARG 19 10.382 -1.457 -5.489 154 HD3 ARG 19 HD3 ARG 19 8.852 -1.236 -6.334 155 HE ARG 19 HE ARG 19 10.014 -0.690 -8.187 156 HH11 ARG 19 HH11 ARG 19 12.225 -0.065 -5.493 157 HH12 ARG 19 HH12 ARG 19 13.548 0.338 -6.535 158 HH21 ARG 19 HH21 ARG 19 11.747 -0.187 -9.500 159 HH22 ARG 19 HH22 ARG 19 13.277 0.269 -8.811 160 H LYS 20 H LYS 20 9.741 4.258 -6.942 161 HA LYS 20 HA LYS 20 12.281 4.267 -5.680 162 HB2 LYS 20 HB2 LYS 20 12.921 5.883 -7.464 163 HB3 LYS 20 HB3 LYS 20 12.149 4.429 -8.077 164 HG2 LYS 20 HG2 LYS 20 9.980 5.804 -8.194 165 HG3 LYS 20 HG3 LYS 20 10.989 7.224 -7.924 166 HD2 LYS 20 HD2 LYS 20 11.216 5.280 -10.264 167 HD3 LYS 20 HD3 LYS 20 10.558 6.911 -10.327 168 HE2 LYS 20 HE2 LYS 20 12.792 7.811 -9.705 169 HE3 LYS 20 HE3 LYS 20 13.436 6.170 -9.727 170 HZ1 LYS 20 HZ1 LYS 20 12.249 7.585 -12.056 171 HZ2 LYS 20 HZ2 LYS 20 12.876 6.016 -12.068 172 HZ3 LYS 20 HZ3 LYS 20 13.899 7.328 -11.789 173 H GLU 21 H GLU 21 9.567 6.562 -5.639 174 HA GLU 21 HA GLU 21 10.949 8.603 -4.196 175 HB2 GLU 21 HB2 GLU 21 8.172 8.240 -5.168 176 HB3 GLU 21 HB3 GLU 21 8.298 9.177 -3.683 177 HG2 GLU 21 HG2 GLU 21 8.353 10.730 -5.484 178 HG3 GLU 21 HG3 GLU 21 9.984 10.651 -4.831 179 H VAL 22 H VAL 22 9.092 5.776 -3.150 180 HA VAL 22 HA VAL 22 8.872 6.441 -0.388 181 HB VAL 22 HB VAL 22 9.157 3.640 -1.604 182 HG11 VAL 22 HG11 VAL 22 8.073 2.835 0.480 183 HG12 VAL 22 HG12 VAL 22 8.104 4.474 1.131 184 HG13 VAL 22 HG13 VAL 22 9.617 3.623 0.810 185 HG21 VAL 22 HG21 VAL 22 7.210 4.792 -2.549 186 HG22 VAL 22 HG22 VAL 22 6.618 5.170 -0.933 187 HG23 VAL 22 HG23 VAL 22 6.693 3.491 -1.476 188 H GLN 23 H GLN 23 11.309 4.694 -2.286 189 HA GLN 23 HA GLN 23 13.099 4.058 -0.182 190 HB2 GLN 23 HB2 GLN 23 13.577 4.295 -3.183 191 HB3 GLN 23 HB3 GLN 23 14.727 3.595 -2.047 192 HG2 GLN 23 HG2 GLN 23 13.110 1.825 -1.477 193 HG3 GLN 23 HG3 GLN 23 11.940 2.521 -2.596 194 HE21 GLN 23 HE21 GLN 23 13.176 -0.152 -2.576 195 HE22 GLN 23 HE22 GLN 23 13.938 -0.339 -4.116 196 H LYS 24 H LYS 24 12.740 6.924 -2.203 197 HA LYS 24 HA LYS 24 15.184 8.222 -1.386 198 HB2 LYS 24 HB2 LYS 24 12.672 9.341 -2.690 199 HB3 LYS 24 HB3 LYS 24 14.122 10.292 -2.383 200 HG2 LYS 24 HG2 LYS 24 15.411 8.877 -3.911 201 HG3 LYS 24 HG3 LYS 24 13.996 7.855 -4.180 202 HD2 LYS 24 HD2 LYS 24 12.786 9.881 -5.079 203 HD3 LYS 24 HD3 LYS 24 14.296 10.786 -4.940 204 HE2 LYS 24 HE2 LYS 24 15.366 9.244 -6.544 205 HE3 LYS 24 HE3 LYS 24 13.861 8.325 -6.663 206 HZ1 LYS 24 HZ1 LYS 24 14.034 9.849 -8.494 207 HZ2 LYS 24 HZ2 LYS 24 14.253 11.161 -7.451 208 HZ3 LYS 24 HZ3 LYS 24 12.771 10.344 -7.481 209 H HIS 25 H HIS 25 11.766 8.431 -0.379 210 HA HIS 25 HA HIS 25 12.018 10.645 1.382 211 HB2 HIS 25 HB2 HIS 25 9.824 9.878 0.488 212 HB3 HIS 25 HB3 HIS 25 9.949 8.390 1.418 213 HD2 HIS 25 HD2 HIS 25 9.636 8.762 4.282 214 HE1 HIS 25 HE1 HIS 25 7.853 12.558 3.825 215 HE2 HIS 25 HE2 HIS 25 8.456 10.739 5.457 216 H ASP 26 H ASP 26 12.008 7.153 1.944 217 HA ASP 26 HA ASP 26 13.534 7.447 4.417 218 HB2 ASP 26 HB2 ASP 26 11.090 7.590 5.040 219 HB3 ASP 26 HB3 ASP 26 10.845 5.994 4.345 220 HA PRO 27 HA PRO 27 15.150 3.843 2.093 221 HB2 PRO 27 HB2 PRO 27 17.613 3.732 3.213 222 HB3 PRO 27 HB3 PRO 27 17.158 5.082 2.148 223 HG2 PRO 27 HG2 PRO 27 17.199 5.001 5.153 224 HG3 PRO 27 HG3 PRO 27 17.836 6.251 4.058 225 HD2 PRO 27 HD2 PRO 27 15.380 6.447 5.288 226 HD3 PRO 27 HD3 PRO 27 15.752 7.210 3.723 227 H ASN 28 H ASN 28 14.321 4.034 5.378 228 HA ASN 28 HA ASN 28 15.242 1.392 6.207 229 HB2 ASN 28 HB2 ASN 28 13.341 3.234 7.740 230 HB3 ASN 28 HB3 ASN 28 14.349 1.944 8.384 231 HD21 ASN 28 HD21 ASN 28 14.327 5.214 7.137 232 HD22 ASN 28 HD22 ASN 28 15.879 5.671 7.754 233 H VAL 29 H VAL 29 12.393 2.872 4.836 234 HA VAL 29 HA VAL 29 10.459 0.890 5.526 235 HB VAL 29 HB VAL 29 10.448 2.753 3.090 236 HG11 VAL 29 HG11 VAL 29 8.159 1.178 4.340 237 HG12 VAL 29 HG12 VAL 29 8.898 0.870 2.768 238 HG13 VAL 29 HG13 VAL 29 7.995 2.360 3.040 239 HG21 VAL 29 HG21 VAL 29 8.945 4.197 4.415 240 HG22 VAL 29 HG22 VAL 29 10.525 4.026 5.179 241 HG23 VAL 29 HG23 VAL 29 9.147 3.128 5.806 242 H LYS 30 H LYS 30 10.171 -1.087 4.716 243 HA LYS 30 HA LYS 30 11.722 -2.268 2.613 244 HB2 LYS 30 HB2 LYS 30 9.364 -3.144 4.320 245 HB3 LYS 30 HB3 LYS 30 9.944 -4.171 3.016 246 HG2 LYS 30 HG2 LYS 30 11.719 -3.187 5.269 247 HG3 LYS 30 HG3 LYS 30 10.831 -4.711 5.326 248 HD2 LYS 30 HD2 LYS 30 12.850 -3.984 3.170 249 HD3 LYS 30 HD3 LYS 30 13.207 -4.968 4.584 250 HE2 LYS 30 HE2 LYS 30 11.580 -6.662 3.866 251 HE3 LYS 30 HE3 LYS 30 11.120 -5.659 2.489 252 HZ1 LYS 30 HZ1 LYS 30 13.334 -5.905 1.598 253 HZ2 LYS 30 HZ2 LYS 30 12.652 -7.427 1.876 254 HZ3 LYS 30 HZ3 LYS 30 13.813 -6.816 2.936 255 H THR 31 H THR 31 11.117 -2.669 0.495 256 HA THR 31 HA THR 31 8.437 -1.747 -0.439 257 HB THR 31 HB THR 31 9.587 -0.847 -2.545 258 HG1 THR 31 HG1 THR 31 11.674 -1.958 -1.776 259 HG21 THR 31 HG21 THR 31 10.217 1.327 -1.573 260 HG22 THR 31 HG22 THR 31 10.278 0.603 0.037 261 HG23 THR 31 HG23 THR 31 8.741 0.712 -0.824 262 H VAL 32 H VAL 32 7.440 -3.343 -1.480 263 HA VAL 32 HA VAL 32 8.998 -5.450 -2.878 264 HB VAL 32 HB VAL 32 6.447 -5.949 -1.257 265 HG11 VAL 32 HG11 VAL 32 6.972 -8.338 -1.569 266 HG12 VAL 32 HG12 VAL 32 8.393 -7.913 -2.524 267 HG13 VAL 32 HG13 VAL 32 6.780 -7.523 -3.124 268 HG21 VAL 32 HG21 VAL 32 8.284 -5.361 0.282 269 HG22 VAL 32 HG22 VAL 32 9.303 -6.607 -0.441 270 HG23 VAL 32 HG23 VAL 32 7.844 -7.063 0.441 271 HA PRO 33 HA PRO 33 6.055 -3.929 -6.020 272 HB2 PRO 33 HB2 PRO 33 7.222 -4.963 -8.228 273 HB3 PRO 33 HB3 PRO 33 8.014 -3.668 -7.305 274 HG2 PRO 33 HG2 PRO 33 8.549 -6.621 -7.217 275 HG3 PRO 33 HG3 PRO 33 9.708 -5.277 -7.312 276 HD2 PRO 33 HD2 PRO 33 9.057 -6.536 -4.949 277 HD3 PRO 33 HD3 PRO 33 9.606 -4.848 -5.039 278 H THR 34 H THR 34 5.151 -5.171 -8.157 279 HA THR 34 HA THR 34 3.161 -6.882 -7.047 280 HB THR 34 HB THR 34 2.231 -6.887 -9.376 281 HG1 THR 34 HG1 THR 34 3.362 -5.676 -10.968 282 HG21 THR 34 HG21 THR 34 1.806 -4.459 -9.599 283 HG22 THR 34 HG22 THR 34 3.087 -4.126 -8.430 284 HG23 THR 34 HG23 THR 34 1.635 -4.991 -7.924 285 H LYS 35 H LYS 35 6.192 -7.579 -8.619 286 HA LYS 35 HA LYS 35 5.518 -10.136 -9.754 287 HB2 LYS 35 HB2 LYS 35 8.297 -9.193 -8.910 288 HB3 LYS 35 HB3 LYS 35 7.917 -10.479 -10.054 289 HG2 LYS 35 HG2 LYS 35 6.870 -8.717 -11.547 290 HG3 LYS 35 HG3 LYS 35 7.511 -7.498 -10.443 291 HD2 LYS 35 HD2 LYS 35 9.145 -9.520 -12.026 292 HD3 LYS 35 HD3 LYS 35 9.002 -7.799 -12.378 293 HE2 LYS 35 HE2 LYS 35 10.217 -7.205 -10.385 294 HE3 LYS 35 HE3 LYS 35 10.155 -8.865 -9.777 295 HZ1 LYS 35 HZ1 LYS 35 11.590 -7.995 -12.234 296 HZ2 LYS 35 HZ2 LYS 35 11.559 -9.564 -11.600 297 HZ3 LYS 35 HZ3 LYS 35 12.312 -8.321 -10.740 298 H ASP 36 H ASP 36 6.411 -9.019 -6.602 299 HA ASP 36 HA ASP 36 7.191 -11.718 -5.668 300 HB2 ASP 36 HB2 ASP 36 7.998 -8.965 -4.618 301 HB3 ASP 36 HB3 ASP 36 8.568 -10.509 -3.988 302 H LYS 37 H LYS 37 4.434 -10.814 -5.863 303 HA LYS 37 HA LYS 37 3.319 -10.110 -3.370 304 HB2 LYS 37 HB2 LYS 37 2.160 -11.685 -5.683 305 HB3 LYS 37 HB3 LYS 37 1.207 -11.263 -4.261 306 HG2 LYS 37 HG2 LYS 37 1.471 -8.890 -4.704 307 HG3 LYS 37 HG3 LYS 37 2.588 -9.213 -6.034 308 HD2 LYS 37 HD2 LYS 37 -0.356 -10.006 -5.957 309 HD3 LYS 37 HD3 LYS 37 0.320 -8.650 -6.861 310 HE2 LYS 37 HE2 LYS 37 1.731 -10.302 -8.142 311 HE3 LYS 37 HE3 LYS 37 0.860 -11.600 -7.329 312 HZ1 LYS 37 HZ1 LYS 37 -0.399 -9.515 -9.017 313 HZ2 LYS 37 HZ2 LYS 37 -1.172 -10.839 -8.315 314 HZ3 LYS 37 HZ3 LYS 37 -0.028 -11.080 -9.532 315 H GLU 38 H GLU 38 4.499 -13.157 -4.527 316 HA GLU 38 HA GLU 38 3.406 -14.887 -2.539 317 HB2 GLU 38 HB2 GLU 38 5.941 -15.168 -4.207 318 HB3 GLU 38 HB3 GLU 38 5.142 -16.480 -3.340 319 HG2 GLU 38 HG2 GLU 38 3.188 -16.311 -4.785 320 HG3 GLU 38 HG3 GLU 38 3.860 -14.895 -5.591 321 H LYS 39 H LYS 39 6.166 -12.763 -2.683 322 HA LYS 39 HA LYS 39 7.398 -13.770 -0.220 323 HB2 LYS 39 HB2 LYS 39 8.313 -11.585 -2.146 324 HB3 LYS 39 HB3 LYS 39 9.264 -12.252 -0.818 325 HG2 LYS 39 HG2 LYS 39 9.382 -14.426 -1.924 326 HG3 LYS 39 HG3 LYS 39 8.297 -13.870 -3.204 327 HD2 LYS 39 HD2 LYS 39 10.020 -12.132 -3.824 328 HD3 LYS 39 HD3 LYS 39 11.115 -12.858 -2.644 329 HE2 LYS 39 HE2 LYS 39 11.206 -14.920 -3.886 330 HE3 LYS 39 HE3 LYS 39 9.903 -14.398 -4.959 331 HZ1 LYS 39 HZ1 LYS 39 12.612 -13.185 -4.786 332 HZ2 LYS 39 HZ2 LYS 39 11.357 -12.637 -5.778 333 HZ3 LYS 39 HZ3 LYS 39 12.026 -14.164 -6.040 334 H VAL 40 H VAL 40 5.183 -11.326 -1.192 335 HA VAL 40 HA VAL 40 5.739 -9.113 0.388 336 HB VAL 40 HB VAL 40 3.130 -10.282 -0.647 337 HG11 VAL 40 HG11 VAL 40 2.443 -9.239 1.469 338 HG12 VAL 40 HG12 VAL 40 1.868 -8.282 0.104 339 HG13 VAL 40 HG13 VAL 40 3.272 -7.746 1.029 340 HG21 VAL 40 HG21 VAL 40 4.639 -9.142 -2.230 341 HG22 VAL 40 HG22 VAL 40 4.564 -7.674 -1.256 342 HG23 VAL 40 HG23 VAL 40 3.114 -8.270 -2.069 343 H LYS 41 H LYS 41 3.770 -11.947 1.274 344 HA LYS 41 HA LYS 41 2.979 -11.180 3.840 345 HB2 LYS 41 HB2 LYS 41 1.989 -13.025 2.475 346 HB3 LYS 41 HB3 LYS 41 3.440 -13.986 2.736 347 HG2 LYS 41 HG2 LYS 41 2.971 -14.071 5.147 348 HG3 LYS 41 HG3 LYS 41 1.544 -13.055 4.916 349 HD2 LYS 41 HD2 LYS 41 0.546 -14.833 3.461 350 HD3 LYS 41 HD3 LYS 41 1.955 -15.854 3.770 351 HE2 LYS 41 HE2 LYS 41 1.405 -15.911 6.165 352 HE3 LYS 41 HE3 LYS 41 0.032 -14.834 5.891 353 HZ1 LYS 41 HZ1 LYS 41 0.330 -17.550 4.718 354 HZ2 LYS 41 HZ2 LYS 41 -0.999 -16.522 4.536 355 HZ3 LYS 41 HZ3 LYS 41 -0.630 -17.162 6.056 356 H GLU 42 H GLU 42 5.883 -12.852 2.710 357 HA GLU 42 HA GLU 42 6.947 -13.634 5.230 358 HB2 GLU 42 HB2 GLU 42 8.666 -13.087 2.774 359 HB3 GLU 42 HB3 GLU 42 8.939 -14.264 4.050 360 HG2 GLU 42 HG2 GLU 42 6.934 -14.405 1.795 361 HG3 GLU 42 HG3 GLU 42 8.327 -15.447 2.059 362 H GLU 43 H GLU 43 7.596 -10.909 3.035 363 HA GLU 43 HA GLU 43 9.593 -9.650 4.610 364 HB2 GLU 43 HB2 GLU 43 7.859 -8.378 2.446 365 HB3 GLU 43 HB3 GLU 43 9.390 -7.757 3.053 366 HG2 GLU 43 HG2 GLU 43 8.958 -10.263 1.415 367 HG3 GLU 43 HG3 GLU 43 9.761 -8.783 0.906 368 H ILE 44 H ILE 44 6.096 -9.409 4.609 369 HA ILE 44 HA ILE 44 5.809 -7.084 6.253 370 HB ILE 44 HB ILE 44 3.953 -9.430 5.655 371 HG12 ILE 44 HG12 ILE 44 3.834 -6.481 4.872 372 HG13 ILE 44 HG13 ILE 44 4.317 -7.807 3.821 373 HG21 ILE 44 HG21 ILE 44 2.103 -8.255 6.821 374 HG22 ILE 44 HG22 ILE 44 3.241 -7.046 7.407 375 HG23 ILE 44 HG23 ILE 44 3.386 -8.719 7.943 376 HD11 ILE 44 HD11 ILE 44 1.580 -7.344 4.982 377 HD12 ILE 44 HD12 ILE 44 2.049 -8.744 4.013 378 HD13 ILE 44 HD13 ILE 44 2.090 -7.129 3.308 379 H GLU 45 H GLU 45 5.947 -10.587 6.938 380 HA GLU 45 HA GLU 45 5.662 -10.422 9.756 381 HB2 GLU 45 HB2 GLU 45 5.352 -12.507 8.368 382 HB3 GLU 45 HB3 GLU 45 7.101 -12.597 8.194 383 HG2 GLU 45 HG2 GLU 45 7.302 -12.780 10.678 384 HG3 GLU 45 HG3 GLU 45 5.542 -12.776 10.791 385 H LYS 46 H LYS 46 8.398 -10.169 7.611 386 HA LYS 46 HA LYS 46 10.447 -9.997 9.612 387 HB2 LYS 46 HB2 LYS 46 10.391 -9.223 6.669 388 HB3 LYS 46 HB3 LYS 46 11.843 -9.195 7.670 389 HG2 LYS 46 HG2 LYS 46 11.829 -11.577 7.944 390 HG3 LYS 46 HG3 LYS 46 10.192 -11.713 7.291 391 HD2 LYS 46 HD2 LYS 46 11.882 -12.461 5.654 392 HD3 LYS 46 HD3 LYS 46 10.987 -11.062 5.067 393 HE2 LYS 46 HE2 LYS 46 12.886 -9.603 5.691 394 HE3 LYS 46 HE3 LYS 46 13.773 -11.016 6.269 395 HZ1 LYS 46 HZ1 LYS 46 14.455 -10.410 4.044 396 HZ2 LYS 46 HZ2 LYS 46 12.871 -10.557 3.476 397 HZ3 LYS 46 HZ3 LYS 46 13.698 -11.921 4.024 398 H ALA 47 H ALA 47 8.354 -7.648 7.950 399 HA ALA 47 HA ALA 47 9.822 -5.292 8.596 400 HB1 ALA 47 HB1 ALA 47 7.789 -4.064 7.937 401 HB2 ALA 47 HB2 ALA 47 6.863 -5.568 7.945 402 HB3 ALA 47 HB3 ALA 47 8.165 -5.340 6.777 403 H ARG 48 H ARG 48 6.958 -6.797 10.099 404 HA ARG 48 HA ARG 48 6.729 -5.101 12.358 405 HB2 ARG 48 HB2 ARG 48 5.390 -6.991 13.359 406 HB3 ARG 48 HB3 ARG 48 4.863 -6.505 11.755 407 HG2 ARG 48 HG2 ARG 48 6.045 -8.420 10.777 408 HG3 ARG 48 HG3 ARG 48 6.574 -8.920 12.378 409 HD2 ARG 48 HD2 ARG 48 3.625 -8.641 11.796 410 HD3 ARG 48 HD3 ARG 48 4.493 -10.071 11.252 411 HE ARG 48 HE ARG 48 3.602 -9.515 13.879 412 HH11 ARG 48 HH11 ARG 48 6.323 -11.048 12.213 413 HH12 ARG 48 HH12 ARG 48 6.663 -12.126 13.530 414 HH21 ARG 48 HH21 ARG 48 4.015 -11.015 15.525 415 HH22 ARG 48 HH22 ARG 48 5.355 -12.109 15.403 416 H LYS 49 H LYS 49 8.718 -7.946 11.750 417 HA LYS 49 HA LYS 49 9.754 -8.340 14.364 418 HB2 LYS 49 HB2 LYS 49 9.994 -10.110 12.750 419 HB3 LYS 49 HB3 LYS 49 10.800 -9.055 11.598 420 HG2 LYS 49 HG2 LYS 49 12.779 -8.945 13.061 421 HG3 LYS 49 HG3 LYS 49 11.978 -9.974 14.247 422 HD2 LYS 49 HD2 LYS 49 12.648 -10.802 11.394 423 HD3 LYS 49 HD3 LYS 49 13.620 -11.201 12.809 424 HE2 LYS 49 HE2 LYS 49 10.765 -12.098 12.297 425 HE3 LYS 49 HE3 LYS 49 12.211 -13.098 12.175 426 HZ1 LYS 49 HZ1 LYS 49 11.122 -11.867 14.647 427 HZ2 LYS 49 HZ2 LYS 49 12.591 -12.697 14.567 428 HZ3 LYS 49 HZ3 LYS 49 11.142 -13.509 14.252 429 H GLN 50 H GLN 50 10.736 -6.321 11.642 430 HA GLN 50 HA GLN 50 13.123 -5.285 12.934 431 HB2 GLN 50 HB2 GLN 50 11.767 -4.502 10.320 432 HB3 GLN 50 HB3 GLN 50 13.328 -3.901 10.859 433 HG2 GLN 50 HG2 GLN 50 12.797 -6.842 10.346 434 HG3 GLN 50 HG3 GLN 50 13.333 -5.738 9.095 435 HE21 GLN 50 HE21 GLN 50 14.592 -5.679 12.447 436 HE22 GLN 50 HE22 GLN 50 16.165 -6.223 12.017 437 H GLY 51 H GLY 51 9.806 -4.574 13.078 438 HA2 GLY 51 HA2 GLY 51 8.598 -2.908 14.078 439 HA3 GLY 51 HA3 GLY 51 10.100 -2.297 14.750 440 H ARG 52 H ARG 52 9.170 -2.654 11.360 441 HA ARG 52 HA ARG 52 9.324 0.249 10.915 442 HB2 ARG 52 HB2 ARG 52 11.094 -1.902 9.698 443 HB3 ARG 52 HB3 ARG 52 10.715 -0.463 8.750 444 HG2 ARG 52 HG2 ARG 52 11.648 0.961 10.547 445 HG3 ARG 52 HG3 ARG 52 12.055 -0.482 11.477 446 HD2 ARG 52 HD2 ARG 52 13.131 0.050 8.692 447 HD3 ARG 52 HD3 ARG 52 13.954 0.577 10.158 448 HE ARG 52 HE ARG 52 13.851 -1.922 10.765 449 HH11 ARG 52 HH11 ARG 52 14.310 -0.721 7.484 450 HH12 ARG 52 HH12 ARG 52 15.232 -2.100 6.979 451 HH21 ARG 52 HH21 ARG 52 15.140 -3.658 10.124 452 HH22 ARG 52 HH22 ARG 52 15.706 -3.773 8.485 453 HA PRO 53 HA PRO 53 5.938 -0.522 8.070 454 HB2 PRO 53 HB2 PRO 53 6.221 1.609 6.336 455 HB3 PRO 53 HB3 PRO 53 5.582 1.768 7.983 456 HG2 PRO 53 HG2 PRO 53 8.354 2.310 6.995 457 HG3 PRO 53 HG3 PRO 53 7.343 3.273 8.098 458 HD2 PRO 53 HD2 PRO 53 9.301 1.643 9.018 459 HD3 PRO 53 HD3 PRO 53 7.798 1.911 9.927 460 H ILE 54 H ILE 54 5.462 -1.155 5.964 461 HA ILE 54 HA ILE 54 7.620 -1.560 4.010 462 HB ILE 54 HB ILE 54 7.453 -3.735 5.052 463 HG12 ILE 54 HG12 ILE 54 5.809 -3.809 2.478 464 HG13 ILE 54 HG13 ILE 54 7.565 -3.786 2.572 465 HG21 ILE 54 HG21 ILE 54 5.322 -3.455 6.249 466 HG22 ILE 54 HG22 ILE 54 5.373 -4.998 5.394 467 HG23 ILE 54 HG23 ILE 54 4.437 -3.652 4.737 468 HD11 ILE 54 HD11 ILE 54 7.522 -5.980 3.667 469 HD12 ILE 54 HD12 ILE 54 6.752 -6.000 2.082 470 HD13 ILE 54 HD13 ILE 54 5.762 -6.000 3.539 471 H VAL 55 H VAL 55 6.952 -0.504 2.208 472 HA VAL 55 HA VAL 55 4.094 -0.227 1.618 473 HB VAL 55 HB VAL 55 6.474 1.044 0.174 474 HG11 VAL 55 HG11 VAL 55 3.489 1.582 -0.094 475 HG12 VAL 55 HG12 VAL 55 4.508 0.778 -1.290 476 HG13 VAL 55 HG13 VAL 55 4.774 2.479 -0.908 477 HG21 VAL 55 HG21 VAL 55 5.836 3.140 1.294 478 HG22 VAL 55 HG22 VAL 55 6.229 1.900 2.486 479 HG23 VAL 55 HG23 VAL 55 4.545 2.303 2.161 480 H VAL 56 H VAL 56 3.368 -1.995 0.775 481 HA VAL 56 HA VAL 56 4.728 -3.641 -1.197 482 HB VAL 56 HB VAL 56 1.928 -3.830 0.048 483 HG11 VAL 56 HG11 VAL 56 1.959 -4.939 -2.133 484 HG12 VAL 56 HG12 VAL 56 1.865 -6.140 -0.844 485 HG13 VAL 56 HG13 VAL 56 3.395 -5.863 -1.679 486 HG21 VAL 56 HG21 VAL 56 3.715 -4.144 1.719 487 HG22 VAL 56 HG22 VAL 56 4.460 -5.397 0.723 488 HG23 VAL 56 HG23 VAL 56 2.862 -5.661 1.425 489 H PHE 57 H PHE 57 4.126 -3.712 -3.345 490 HA PHE 57 HA PHE 57 2.174 -1.727 -4.331 491 HB2 PHE 57 HB2 PHE 57 4.737 -2.771 -5.621 492 HB3 PHE 57 HB3 PHE 57 3.559 -1.739 -6.441 493 HD1 PHE 57 HD1 PHE 57 3.133 0.583 -5.619 494 HD2 PHE 57 HD2 PHE 57 6.280 -1.813 -3.980 495 HE1 PHE 57 HE1 PHE 57 4.114 2.578 -4.577 496 HE2 PHE 57 HE2 PHE 57 7.260 0.196 -2.952 497 HZ PHE 57 HZ PHE 57 6.172 2.388 -3.247 498 H VAL 58 H VAL 58 0.428 -2.637 -4.887 499 HA VAL 58 HA VAL 58 0.281 -5.329 -6.115 500 HB VAL 58 HB VAL 58 -1.700 -3.900 -4.246 501 HG11 VAL 58 HG11 VAL 58 -3.113 -5.910 -4.374 502 HG12 VAL 58 HG12 VAL 58 -2.021 -6.613 -5.569 503 HG13 VAL 58 HG13 VAL 58 -2.935 -5.157 -5.962 504 HG21 VAL 58 HG21 VAL 58 -0.066 -6.429 -3.804 505 HG22 VAL 58 HG22 VAL 58 -1.263 -5.778 -2.679 506 HG23 VAL 58 HG23 VAL 58 0.204 -4.863 -3.034 507 H ARG 59 H ARG 59 -0.719 -5.329 -8.127 508 HA ARG 59 HA ARG 59 -1.796 -2.846 -9.216 509 HB2 ARG 59 HB2 ARG 59 -0.338 -4.471 -10.533 510 HB3 ARG 59 HB3 ARG 59 -1.674 -5.606 -10.530 511 HG2 ARG 59 HG2 ARG 59 -2.054 -2.832 -11.678 512 HG3 ARG 59 HG3 ARG 59 -1.233 -4.074 -12.620 513 HD2 ARG 59 HD2 ARG 59 -4.048 -4.322 -11.499 514 HD3 ARG 59 HD3 ARG 59 -3.634 -3.905 -13.168 515 HE ARG 59 HE ARG 59 -2.394 -6.350 -12.379 516 HH11 ARG 59 HH11 ARG 59 -5.513 -5.095 -13.451 517 HH12 ARG 59 HH12 ARG 59 -6.022 -6.626 -14.102 518 HH21 ARG 59 HH21 ARG 59 -3.082 -8.327 -13.260 519 HH22 ARG 59 HH22 ARG 59 -4.660 -8.442 -13.992 520 H GLY 60 H GLY 60 -4.001 -2.631 -9.902 521 HA2 GLY 60 HA2 GLY 60 -5.837 -3.157 -7.894 522 HA3 GLY 60 HA3 GLY 60 -6.242 -2.586 -9.496 523 H GLY 61 H GLY 61 -5.098 -5.290 -10.558 524 HA2 GLY 61 HA2 GLY 61 -7.471 -6.809 -10.736 525 HA3 GLY 61 HA3 GLY 61 -5.861 -7.383 -11.138 526 H ASP 62 H ASP 62 -4.713 -7.033 -8.551 527 HA ASP 62 HA ASP 62 -5.790 -9.335 -7.097 528 HB2 ASP 62 HB2 ASP 62 -3.249 -7.674 -6.797 529 HB3 ASP 62 HB3 ASP 62 -3.655 -9.023 -5.739 530 H ASP 63 H ASP 63 -7.557 -7.248 -6.988 531 HA ASP 63 HA ASP 63 -7.310 -5.511 -4.758 532 HB2 ASP 63 HB2 ASP 63 -8.850 -5.147 -6.695 533 HB3 ASP 63 HB3 ASP 63 -9.853 -6.483 -6.146 534 H GLU 64 H GLU 64 -8.530 -8.785 -5.118 535 HA GLU 64 HA GLU 64 -9.652 -9.089 -2.506 536 HB2 GLU 64 HB2 GLU 64 -8.788 -11.113 -4.607 537 HB3 GLU 64 HB3 GLU 64 -9.381 -11.619 -3.028 538 HG2 GLU 64 HG2 GLU 64 -11.142 -11.722 -4.720 539 HG3 GLU 64 HG3 GLU 64 -11.527 -10.568 -3.444 540 H ARG 65 H ARG 65 -6.463 -9.722 -3.939 541 HA ARG 65 HA ARG 65 -5.307 -11.061 -1.711 542 HB2 ARG 65 HB2 ARG 65 -3.992 -9.508 -3.985 543 HB3 ARG 65 HB3 ARG 65 -3.057 -10.305 -2.725 544 HG2 ARG 65 HG2 ARG 65 -3.093 -11.721 -4.691 545 HG3 ARG 65 HG3 ARG 65 -4.037 -12.500 -3.419 546 HD2 ARG 65 HD2 ARG 65 -6.118 -11.663 -4.497 547 HD3 ARG 65 HD3 ARG 65 -5.144 -10.947 -5.778 548 HE ARG 65 HE ARG 65 -4.412 -13.301 -6.277 549 HH11 ARG 65 HH11 ARG 65 -7.546 -12.657 -4.823 550 HH12 ARG 65 HH12 ARG 65 -8.277 -14.093 -5.460 551 HH21 ARG 65 HH21 ARG 65 -5.398 -15.164 -7.119 552 HH22 ARG 65 HH22 ARG 65 -7.058 -15.513 -6.762 553 H ALA 66 H ALA 66 -5.557 -7.682 -2.656 554 HA ALA 66 HA ALA 66 -4.060 -6.450 -0.622 555 HB1 ALA 66 HB1 ALA 66 -5.357 -4.430 -1.174 556 HB2 ALA 66 HB2 ALA 66 -6.512 -5.409 -2.085 557 HB3 ALA 66 HB3 ALA 66 -4.840 -5.275 -2.631 558 H LYS 67 H LYS 67 -7.377 -7.719 -0.587 559 HA LYS 67 HA LYS 67 -8.219 -6.547 1.895 560 HB2 LYS 67 HB2 LYS 67 -9.238 -9.062 0.490 561 HB3 LYS 67 HB3 LYS 67 -10.066 -8.237 1.809 562 HG2 LYS 67 HG2 LYS 67 -10.488 -6.305 0.432 563 HG3 LYS 67 HG3 LYS 67 -9.456 -6.926 -0.855 564 HD2 LYS 67 HD2 LYS 67 -11.065 -8.859 -1.129 565 HD3 LYS 67 HD3 LYS 67 -12.132 -8.080 0.044 566 HE2 LYS 67 HE2 LYS 67 -12.400 -6.149 -1.429 567 HE3 LYS 67 HE3 LYS 67 -11.227 -6.816 -2.565 568 HZ1 LYS 67 HZ1 LYS 67 -12.722 -8.596 -3.076 569 HZ2 LYS 67 HZ2 LYS 67 -13.555 -7.134 -3.241 570 HZ3 LYS 67 HZ3 LYS 67 -13.814 -8.104 -1.884 571 H ASP 68 H ASP 68 -6.920 -9.739 0.995 572 HA ASP 68 HA ASP 68 -7.022 -10.928 3.588 573 HB2 ASP 68 HB2 ASP 68 -5.470 -11.709 1.089 574 HB3 ASP 68 HB3 ASP 68 -5.495 -12.694 2.547 575 H ILE 69 H ILE 69 -4.385 -9.431 1.769 576 HA ILE 69 HA ILE 69 -2.269 -9.946 3.603 577 HB ILE 69 HB ILE 69 -2.568 -7.887 1.359 578 HG12 ILE 69 HG12 ILE 69 -0.961 -10.492 1.419 579 HG13 ILE 69 HG13 ILE 69 -2.542 -10.315 0.671 580 HG21 ILE 69 HG21 ILE 69 -0.045 -8.564 2.901 581 HG22 ILE 69 HG22 ILE 69 -0.919 -7.031 2.952 582 HG23 ILE 69 HG23 ILE 69 -0.124 -7.545 1.464 583 HD11 ILE 69 HD11 ILE 69 -0.008 -8.916 -0.189 584 HD12 ILE 69 HD12 ILE 69 -1.601 -8.695 -0.921 585 HD13 ILE 69 HD13 ILE 69 -0.807 -10.266 -1.000 586 H ALA 70 H ALA 70 -4.529 -7.256 3.146 587 HA ALA 70 HA ALA 70 -3.504 -5.481 5.119 588 HB1 ALA 70 HB1 ALA 70 -5.680 -4.345 4.897 589 HB2 ALA 70 HB2 ALA 70 -6.302 -5.719 3.980 590 HB3 ALA 70 HB3 ALA 70 -4.994 -4.740 3.321 591 H GLU 71 H GLU 71 -5.886 -8.104 5.200 592 HA GLU 71 HA GLU 71 -6.893 -7.643 7.829 593 HB2 GLU 71 HB2 GLU 71 -7.992 -8.982 5.966 594 HB3 GLU 71 HB3 GLU 71 -6.853 -10.278 6.268 595 HG2 GLU 71 HG2 GLU 71 -8.785 -9.242 8.364 596 HG3 GLU 71 HG3 GLU 71 -9.185 -10.546 7.259 597 H TYR 72 H TYR 72 -4.392 -9.781 6.492 598 HA TYR 72 HA TYR 72 -3.512 -11.061 8.833 599 HB2 TYR 72 HB2 TYR 72 -2.872 -11.891 6.630 600 HB3 TYR 72 HB3 TYR 72 -2.057 -10.383 6.234 601 HD1 TYR 72 HD1 TYR 72 -1.864 -13.347 8.538 602 HD2 TYR 72 HD2 TYR 72 0.286 -10.123 6.719 603 HE1 TYR 72 HE1 TYR 72 0.248 -14.261 9.397 604 HE2 TYR 72 HE2 TYR 72 2.395 -11.043 7.578 605 HH TYR 72 HH TYR 72 3.121 -12.521 9.470 606 H ALA 73 H ALA 73 -2.431 -8.078 7.253 607 HA ALA 73 HA ALA 73 -0.285 -7.378 8.916 608 HB1 ALA 73 HB1 ALA 73 -2.177 -5.581 7.369 609 HB2 ALA 73 HB2 ALA 73 -0.709 -6.328 6.739 610 HB3 ALA 73 HB3 ALA 73 -0.594 -5.107 8.005 611 H GLN 74 H GLN 74 -3.699 -6.370 9.014 612 HA GLN 74 HA GLN 74 -3.597 -4.736 11.307 613 HB2 GLN 74 HB2 GLN 74 -5.434 -4.727 9.597 614 HB3 GLN 74 HB3 GLN 74 -5.983 -6.289 10.199 615 HG2 GLN 74 HG2 GLN 74 -6.435 -5.246 12.413 616 HG3 GLN 74 HG3 GLN 74 -5.940 -3.685 11.757 617 HE21 GLN 74 HE21 GLN 74 -7.326 -2.613 10.302 618 HE22 GLN 74 HE22 GLN 74 -8.968 -3.099 10.073 619 H LYS 75 H LYS 75 -4.098 -8.188 10.871 620 HA LYS 75 HA LYS 75 -4.945 -8.908 13.481 621 HB2 LYS 75 HB2 LYS 75 -5.186 -10.343 11.435 622 HB3 LYS 75 HB3 LYS 75 -3.444 -10.604 11.431 623 HG2 LYS 75 HG2 LYS 75 -3.668 -11.676 13.704 624 HG3 LYS 75 HG3 LYS 75 -5.421 -11.510 13.553 625 HD2 LYS 75 HD2 LYS 75 -3.664 -13.087 11.629 626 HD3 LYS 75 HD3 LYS 75 -4.582 -13.798 12.956 627 HE2 LYS 75 HE2 LYS 75 -6.680 -13.036 11.935 628 HE3 LYS 75 HE3 LYS 75 -5.780 -12.270 10.624 629 HZ1 LYS 75 HZ1 LYS 75 -6.692 -14.431 10.002 630 HZ2 LYS 75 HZ2 LYS 75 -5.788 -15.183 11.215 631 HZ3 LYS 75 HZ3 LYS 75 -5.002 -14.428 9.919 632 H GLU 76 H GLU 76 -1.750 -8.425 12.020 633 HA GLU 76 HA GLU 76 -0.273 -9.400 14.334 634 HB2 GLU 76 HB2 GLU 76 0.657 -7.960 11.813 635 HB3 GLU 76 HB3 GLU 76 1.726 -8.648 13.029 636 HG2 GLU 76 HG2 GLU 76 -0.177 -10.164 11.225 637 HG3 GLU 76 HG3 GLU 76 1.586 -10.145 11.134 638 H GLY 77 H GLY 77 -2.012 -6.654 13.877 639 HA2 GLY 77 HA2 GLY 77 -2.208 -4.788 15.224 640 HA3 GLY 77 HA3 GLY 77 -0.723 -5.239 16.051 641 H LEU 78 H LEU 78 -0.940 -4.952 12.581 642 HA LEU 78 HA LEU 78 1.003 -2.737 12.606 643 HB2 LEU 78 HB2 LEU 78 0.186 -4.447 10.221 644 HB3 LEU 78 HB3 LEU 78 1.604 -3.416 10.360 645 HG LEU 78 HG LEU 78 1.118 -6.029 11.841 646 HD11 LEU 78 HD11 LEU 78 3.154 -5.376 9.696 647 HD12 LEU 78 HD12 LEU 78 1.720 -6.389 9.511 648 HD13 LEU 78 HD13 LEU 78 3.025 -6.901 10.579 649 HD21 LEU 78 HD21 LEU 78 3.334 -5.779 12.814 650 HD22 LEU 78 HD22 LEU 78 2.288 -4.450 13.295 651 HD23 LEU 78 HD23 LEU 78 3.516 -4.198 12.054 652 H ARG 79 H ARG 79 0.525 -0.775 11.693 653 HA ARG 79 HA ARG 79 -2.182 0.002 11.272 654 HB2 ARG 79 HB2 ARG 79 0.356 1.480 10.462 655 HB3 ARG 79 HB3 ARG 79 -1.256 2.185 10.558 656 HG2 ARG 79 HG2 ARG 79 -1.248 1.702 13.029 657 HG3 ARG 79 HG3 ARG 79 0.430 1.170 12.867 658 HD2 ARG 79 HD2 ARG 79 1.073 3.417 12.060 659 HD3 ARG 79 HD3 ARG 79 -0.606 3.951 12.180 660 HE ARG 79 HE ARG 79 1.322 3.734 14.287 661 HH11 ARG 79 HH11 ARG 79 -2.154 3.625 13.678 662 HH12 ARG 79 HH12 ARG 79 -2.564 4.094 15.299 663 HH21 ARG 79 HH21 ARG 79 0.755 4.369 16.381 664 HH22 ARG 79 HH22 ARG 79 -0.916 4.512 16.822 665 H VAL 80 H VAL 80 -3.343 -0.508 9.481 666 HA VAL 80 HA VAL 80 -1.940 -1.188 6.989 667 HB VAL 80 HB VAL 80 -4.904 -1.515 7.628 668 HG11 VAL 80 HG11 VAL 80 -4.933 -2.987 5.649 669 HG12 VAL 80 HG12 VAL 80 -3.226 -2.654 5.354 670 HG13 VAL 80 HG13 VAL 80 -4.417 -1.359 5.211 671 HG21 VAL 80 HG21 VAL 80 -4.409 -3.903 7.981 672 HG22 VAL 80 HG22 VAL 80 -3.536 -2.895 9.137 673 HG23 VAL 80 HG23 VAL 80 -2.685 -3.588 7.755 674 H ILE 81 H ILE 81 -1.632 0.388 5.647 675 HA ILE 81 HA ILE 81 -3.698 2.449 5.168 676 HB ILE 81 HB ILE 81 -0.669 2.516 4.766 677 HG12 ILE 81 HG12 ILE 81 -0.898 4.773 5.965 678 HG13 ILE 81 HG13 ILE 81 -2.576 4.364 6.275 679 HG21 ILE 81 HG21 ILE 81 -0.933 4.673 3.566 680 HG22 ILE 81 HG22 ILE 81 -2.675 4.425 3.527 681 HG23 ILE 81 HG23 ILE 81 -1.605 3.315 2.667 682 HD11 ILE 81 HD11 ILE 81 -0.162 2.880 7.309 683 HD12 ILE 81 HD12 ILE 81 -1.843 2.457 7.638 684 HD13 ILE 81 HD13 ILE 81 -1.188 3.986 8.224 685 H VAL 82 H VAL 82 -4.586 2.467 3.102 686 HA VAL 82 HA VAL 82 -3.396 0.700 1.019 687 HB VAL 82 HB VAL 82 -6.384 1.123 1.583 688 HG11 VAL 82 HG11 VAL 82 -6.804 -0.516 -0.220 689 HG12 VAL 82 HG12 VAL 82 -5.076 -0.570 -0.574 690 HG13 VAL 82 HG13 VAL 82 -5.980 0.924 -0.825 691 HG21 VAL 82 HG21 VAL 82 -5.362 -0.395 3.235 692 HG22 VAL 82 HG22 VAL 82 -4.713 -1.401 1.939 693 HG23 VAL 82 HG23 VAL 82 -6.457 -1.280 2.172 694 H ILE 83 H ILE 83 -2.594 2.094 -0.507 695 HA ILE 83 HA ILE 83 -3.998 4.659 -1.050 696 HB ILE 83 HB ILE 83 -1.164 3.816 -1.852 697 HG12 ILE 83 HG12 ILE 83 -2.037 5.739 0.355 698 HG13 ILE 83 HG13 ILE 83 -1.427 4.111 0.618 699 HG21 ILE 83 HG21 ILE 83 -2.522 6.533 -2.094 700 HG22 ILE 83 HG22 ILE 83 -2.115 5.455 -3.430 701 HG23 ILE 83 HG23 ILE 83 -0.831 6.195 -2.474 702 HD11 ILE 83 HD11 ILE 83 0.276 5.753 1.048 703 HD12 ILE 83 HD12 ILE 83 0.122 6.401 -0.582 704 HD13 ILE 83 HD13 ILE 83 0.728 4.761 -0.333 705 H ILE 84 H ILE 84 -5.475 4.313 -2.598 706 HA ILE 84 HA ILE 84 -4.985 2.463 -4.821 707 HB ILE 84 HB ILE 84 -7.509 4.065 -4.187 708 HG12 ILE 84 HG12 ILE 84 -6.909 1.156 -3.473 709 HG13 ILE 84 HG13 ILE 84 -6.812 2.490 -2.328 710 HG21 ILE 84 HG21 ILE 84 -7.373 3.300 -6.539 711 HG22 ILE 84 HG22 ILE 84 -8.640 2.437 -5.668 712 HG23 ILE 84 HG23 ILE 84 -7.100 1.642 -5.989 713 HD11 ILE 84 HD11 ILE 84 -8.857 1.282 -2.072 714 HD12 ILE 84 HD12 ILE 84 -9.284 1.559 -3.758 715 HD13 ILE 84 HD13 ILE 84 -9.187 2.918 -2.633 716 H VAL 85 H VAL 85 -3.872 3.326 -6.422 717 HA VAL 85 HA VAL 85 -4.263 6.104 -7.310 718 HB VAL 85 HB VAL 85 -2.085 4.197 -8.274 719 HG11 VAL 85 HG11 VAL 85 -2.264 7.233 -8.238 720 HG12 VAL 85 HG12 VAL 85 -2.430 6.188 -9.652 721 HG13 VAL 85 HG13 VAL 85 -0.882 6.297 -8.812 722 HG21 VAL 85 HG21 VAL 85 -1.893 4.248 -5.836 723 HG22 VAL 85 HG22 VAL 85 -1.901 6.012 -5.844 724 HG23 VAL 85 HG23 VAL 85 -0.557 5.134 -6.574 725 H SER 86 H SER 86 -5.967 6.086 -8.697 726 HA SER 86 HA SER 86 -5.743 4.640 -11.200 727 HB2 SER 86 HB2 SER 86 -6.938 2.971 -9.788 728 HB3 SER 86 HB3 SER 86 -8.165 4.172 -9.382 729 HG SER 86 HG SER 86 -9.126 3.671 -11.173 730 H GLN 87 H GLN 87 -6.748 5.733 -12.817 731 HA GLN 87 HA GLN 87 -7.869 8.380 -12.196 732 HB2 GLN 87 HB2 GLN 87 -5.917 8.012 -13.792 733 HB3 GLN 87 HB3 GLN 87 -7.034 7.220 -14.896 734 HG2 GLN 87 HG2 GLN 87 -8.107 9.223 -15.460 735 HG3 GLN 87 HG3 GLN 87 -7.649 10.014 -13.953 736 HE21 GLN 87 HE21 GLN 87 -5.561 10.877 -13.744 737 HE22 GLN 87 HE22 GLN 87 -4.574 11.226 -15.121 738 H ASP 88 H ASP 88 -9.513 6.394 -11.468 739 HA ASP 88 HA ASP 88 -11.776 6.401 -13.310 740 HB2 ASP 88 HB2 ASP 88 -10.413 4.372 -13.899 741 HB3 ASP 88 HB3 ASP 88 -10.504 3.831 -12.228 742 H GLU 89 H GLU 89 -13.440 6.983 -12.112 743 HA GLU 89 HA GLU 89 -13.433 7.451 -9.366 744 HB2 GLU 89 HB2 GLU 89 -15.733 7.224 -11.344 745 HB3 GLU 89 HB3 GLU 89 -15.970 7.734 -9.679 746 HG2 GLU 89 HG2 GLU 89 -14.181 9.156 -11.669 747 HG3 GLU 89 HG3 GLU 89 -15.836 9.626 -11.291 748 H GLU 90 H GLU 90 -14.554 4.636 -11.143 749 HA GLU 90 HA GLU 90 -16.047 3.439 -9.021 750 HB2 GLU 90 HB2 GLU 90 -14.903 2.202 -11.556 751 HB3 GLU 90 HB3 GLU 90 -16.048 1.410 -10.473 752 HG2 GLU 90 HG2 GLU 90 -17.691 3.235 -10.953 753 HG3 GLU 90 HG3 GLU 90 -16.551 3.909 -12.117 754 H ALA 91 H ALA 91 -12.790 2.823 -10.374 755 HA ALA 91 HA ALA 91 -12.095 0.670 -8.666 756 HB1 ALA 91 HB1 ALA 91 -10.246 2.593 -10.123 757 HB2 ALA 91 HB2 ALA 91 -10.931 1.115 -10.795 758 HB3 ALA 91 HB3 ALA 91 -9.792 1.018 -9.453 759 H LEU 92 H LEU 92 -11.750 4.165 -8.340 760 HA LEU 92 HA LEU 92 -10.149 4.161 -5.980 761 HB2 LEU 92 HB2 LEU 92 -11.964 6.290 -7.168 762 HB3 LEU 92 HB3 LEU 92 -10.941 6.565 -5.765 763 HG LEU 92 HG LEU 92 -9.971 5.914 -8.578 764 HD11 LEU 92 HD11 LEU 92 -9.075 8.199 -8.578 765 HD12 LEU 92 HD12 LEU 92 -9.791 8.492 -6.991 766 HD13 LEU 92 HD13 LEU 92 -10.829 8.194 -8.388 767 HD21 LEU 92 HD21 LEU 92 -8.474 4.917 -6.922 768 HD22 LEU 92 HD22 LEU 92 -8.340 6.458 -6.075 769 HD23 LEU 92 HD23 LEU 92 -7.700 6.290 -7.711 770 H ARG 93 H ARG 93 -13.677 4.617 -6.509 771 HA ARG 93 HA ARG 93 -14.269 5.137 -3.767 772 HB2 ARG 93 HB2 ARG 93 -15.719 5.989 -5.548 773 HB3 ARG 93 HB3 ARG 93 -16.098 4.352 -6.078 774 HG2 ARG 93 HG2 ARG 93 -17.212 3.923 -3.886 775 HG3 ARG 93 HG3 ARG 93 -16.889 5.590 -3.415 776 HD2 ARG 93 HD2 ARG 93 -18.337 6.426 -5.162 777 HD3 ARG 93 HD3 ARG 93 -18.524 4.805 -5.845 778 HE ARG 93 HE ARG 93 -19.375 4.782 -3.158 779 HH11 ARG 93 HH11 ARG 93 -20.420 6.044 -6.274 780 HH12 ARG 93 HH12 ARG 93 -22.104 6.019 -5.850 781 HH21 ARG 93 HH21 ARG 93 -21.582 4.714 -2.636 782 HH22 ARG 93 HH22 ARG 93 -22.759 5.262 -3.787 783 H LYS 94 H LYS 94 -14.810 2.244 -5.798 784 HA LYS 94 HA LYS 94 -16.209 0.693 -3.913 785 HB2 LYS 94 HB2 LYS 94 -14.516 -0.205 -6.280 786 HB3 LYS 94 HB3 LYS 94 -15.584 -1.274 -5.372 787 HG2 LYS 94 HG2 LYS 94 -17.543 -0.034 -6.083 788 HG3 LYS 94 HG3 LYS 94 -16.539 1.209 -6.843 789 HD2 LYS 94 HD2 LYS 94 -15.681 -0.507 -8.446 790 HD3 LYS 94 HD3 LYS 94 -16.750 -1.707 -7.715 791 HE2 LYS 94 HE2 LYS 94 -18.713 -0.501 -8.459 792 HE3 LYS 94 HE3 LYS 94 -17.725 0.862 -9.003 793 HZ1 LYS 94 HZ1 LYS 94 -18.361 -0.505 -10.867 794 HZ2 LYS 94 HZ2 LYS 94 -17.695 -1.882 -10.144 795 HZ3 LYS 94 HZ3 LYS 94 -16.688 -0.617 -10.633 796 H GLY 95 H GLY 95 -12.755 0.776 -4.764 797 HA2 GLY 95 HA2 GLY 95 -11.844 -1.125 -2.860 798 HA3 GLY 95 HA3 GLY 95 -10.877 0.102 -3.654 799 H TYR 96 H TYR 96 -12.271 2.397 -2.738 800 HA TYR 96 HA TYR 96 -10.799 3.012 -0.438 801 HB2 TYR 96 HB2 TYR 96 -11.606 4.742 -2.003 802 HB3 TYR 96 HB3 TYR 96 -13.269 4.414 -1.551 803 HD1 TYR 96 HD2 TYR 96 -10.122 5.118 0.461 804 HD2 TYR 96 HD1 TYR 96 -14.156 6.276 -0.389 805 HE1 TYR 96 HE2 TYR 96 -9.959 6.900 2.119 806 HE2 TYR 96 HE1 TYR 96 -13.980 8.062 1.295 807 HH TYR 96 HH TYR 96 -10.991 8.998 2.697 808 H GLU 97 H GLU 97 -14.311 2.550 -0.770 809 HA GLU 97 HA GLU 97 -14.810 2.694 2.036 810 HB2 GLU 97 HB2 GLU 97 -16.650 1.657 -0.162 811 HB3 GLU 97 HB3 GLU 97 -17.123 2.146 1.465 812 HG2 GLU 97 HG2 GLU 97 -16.370 4.478 0.956 813 HG3 GLU 97 HG3 GLU 97 -16.006 3.970 -0.692 814 H ASP 98 H ASP 98 -14.380 0.010 -0.269 815 HA ASP 98 HA ASP 98 -15.249 -2.160 1.273 816 HB2 ASP 98 HB2 ASP 98 -14.617 -2.371 -1.110 817 HB3 ASP 98 HB3 ASP 98 -12.940 -2.014 -0.735 818 H LYS 99 H LYS 99 -11.977 -0.743 1.093 819 HA LYS 99 HA LYS 99 -10.887 -2.466 3.138 820 HB2 LYS 99 HB2 LYS 99 -9.778 -0.170 1.490 821 HB3 LYS 99 HB3 LYS 99 -8.885 -0.754 2.886 822 HG2 LYS 99 HG2 LYS 99 -7.954 -1.808 0.957 823 HG3 LYS 99 HG3 LYS 99 -8.856 -3.043 1.840 824 HD2 LYS 99 HD2 LYS 99 -10.752 -2.732 0.242 825 HD3 LYS 99 HD3 LYS 99 -9.769 -1.574 -0.658 826 HE2 LYS 99 HE2 LYS 99 -8.189 -3.282 -1.280 827 HE3 LYS 99 HE3 LYS 99 -8.932 -4.450 -0.177 828 HZ1 LYS 99 HZ1 LYS 99 -10.982 -4.254 -1.513 829 HZ2 LYS 99 HZ2 LYS 99 -9.676 -4.902 -2.373 830 HZ3 LYS 99 HZ3 LYS 99 -10.141 -3.300 -2.630 831 H LYS 100 H LYS 100 -12.089 0.882 3.004 832 HA LYS 100 HA LYS 100 -11.014 1.795 5.478 833 HB2 LYS 100 HB2 LYS 100 -11.807 3.255 3.579 834 HB3 LYS 100 HB3 LYS 100 -13.466 2.863 4.017 835 HG2 LYS 100 HG2 LYS 100 -13.106 3.931 6.236 836 HG3 LYS 100 HG3 LYS 100 -11.460 4.348 5.749 837 HD2 LYS 100 HD2 LYS 100 -12.373 5.722 3.879 838 HD3 LYS 100 HD3 LYS 100 -14.016 5.318 4.396 839 HE2 LYS 100 HE2 LYS 100 -11.962 6.854 6.034 840 HE3 LYS 100 HE3 LYS 100 -13.344 7.554 5.195 841 HZ1 LYS 100 HZ1 LYS 100 -13.534 5.561 7.390 842 HZ2 LYS 100 HZ2 LYS 100 -14.827 6.354 6.641 843 HZ3 LYS 100 HZ3 LYS 100 -13.728 7.229 7.579 844 H LYS 101 H LYS 101 -14.063 0.296 4.613 845 HA LYS 101 HA LYS 101 -15.311 0.510 7.202 846 HB2 LYS 101 HB2 LYS 101 -16.014 -1.098 4.721 847 HB3 LYS 101 HB3 LYS 101 -17.015 -1.058 6.172 848 HG2 LYS 101 HG2 LYS 101 -17.492 1.293 5.887 849 HG3 LYS 101 HG3 LYS 101 -16.286 1.435 4.598 850 HD2 LYS 101 HD2 LYS 101 -18.589 1.367 3.685 851 HD3 LYS 101 HD3 LYS 101 -17.630 -0.010 3.136 852 HE2 LYS 101 HE2 LYS 101 -18.705 -1.373 4.969 853 HE3 LYS 101 HE3 LYS 101 -19.767 0.001 5.291 854 HZ1 LYS 101 HZ1 LYS 101 -19.622 -1.674 2.856 855 HZ2 LYS 101 HZ2 LYS 101 -20.407 -0.181 2.872 856 HZ3 LYS 101 HZ3 LYS 101 -20.947 -1.423 3.880 857 H LYS 102 H LYS 102 -12.964 -1.608 5.884 858 HA LYS 102 HA LYS 102 -13.350 -3.682 7.931 859 HB2 LYS 102 HB2 LYS 102 -11.184 -3.288 5.826 860 HB3 LYS 102 HB3 LYS 102 -11.262 -4.662 6.921 861 HG2 LYS 102 HG2 LYS 102 -13.343 -5.421 5.886 862 HG3 LYS 102 HG3 LYS 102 -13.380 -3.990 4.850 863 HD2 LYS 102 HD2 LYS 102 -11.272 -4.707 3.765 864 HD3 LYS 102 HD3 LYS 102 -11.207 -6.129 4.810 865 HE2 LYS 102 HE2 LYS 102 -12.050 -6.641 2.538 866 HE3 LYS 102 HE3 LYS 102 -13.234 -7.017 3.789 867 HZ1 LYS 102 HZ1 LYS 102 -14.376 -4.961 3.281 868 HZ2 LYS 102 HZ2 LYS 102 -14.234 -5.904 1.884 869 HZ3 LYS 102 HZ3 LYS 102 -13.221 -4.570 2.115 870 H GLY 103 H GLY 103 -12.245 -0.587 8.027 871 HA2 GLY 103 HA2 GLY 103 -11.254 0.547 9.777 872 HA3 GLY 103 HA3 GLY 103 -10.772 -0.973 10.505 873 H TYR 104 H TYR 104 -9.987 -0.219 7.182 874 HA TYR 104 HA TYR 104 -7.130 0.073 7.873 875 HB2 TYR 104 HB2 TYR 104 -8.316 -0.247 5.085 876 HB3 TYR 104 HB3 TYR 104 -6.633 -0.444 5.557 877 HD1 TYR 104 HD2 TYR 104 -7.225 -2.267 8.060 878 HD2 TYR 104 HD1 TYR 104 -8.589 -2.381 4.019 879 HE1 TYR 104 HE2 TYR 104 -7.609 -4.689 8.237 880 HE2 TYR 104 HE1 TYR 104 -8.963 -4.772 4.195 881 HH TYR 104 HH TYR 104 -8.204 -6.662 5.530 882 H ASP 105 H ASP 105 -6.060 2.000 7.451 883 HA ASP 105 HA ASP 105 -7.561 4.420 6.935 884 HB2 ASP 105 HB2 ASP 105 -5.709 4.372 8.575 885 HB3 ASP 105 HB3 ASP 105 -4.580 3.876 7.321 886 H VAL 106 H VAL 106 -8.261 4.614 4.775 887 HA VAL 106 HA VAL 106 -6.420 3.741 2.629 888 HB VAL 106 HB VAL 106 -9.443 4.153 2.408 889 HG11 VAL 106 HG11 VAL 106 -9.252 2.759 0.370 890 HG12 VAL 106 HG12 VAL 106 -7.504 2.660 0.594 891 HG13 VAL 106 HG13 VAL 106 -8.261 4.214 0.243 892 HG21 VAL 106 HG21 VAL 106 -7.953 1.562 2.931 893 HG22 VAL 106 HG22 VAL 106 -9.684 1.715 2.616 894 HG23 VAL 106 HG23 VAL 106 -8.989 2.414 4.079 895 H TYR 107 H TYR 107 -5.742 5.137 1.165 896 HA TYR 107 HA TYR 107 -6.903 7.843 0.898 897 HB2 TYR 107 HB2 TYR 107 -4.115 6.843 0.126 898 HB3 TYR 107 HB3 TYR 107 -4.698 8.496 -0.021 899 HD1 TYR 107 HD2 TYR 107 -3.536 5.910 2.346 900 HD2 TYR 107 HD1 TYR 107 -4.793 9.972 1.954 901 HE1 TYR 107 HE2 TYR 107 -2.663 6.394 4.584 902 HE2 TYR 107 HE1 TYR 107 -3.907 10.457 4.193 903 HH TYR 107 HH TYR 107 -1.974 8.161 5.934 904 H THR 108 H THR 108 -7.284 8.545 -1.241 905 HA THR 108 HA THR 108 -6.933 6.606 -3.458 906 HB THR 108 HB THR 108 -9.099 7.638 -4.432 907 HG1 THR 108 HG1 THR 108 -10.504 8.261 -2.474 908 HG21 THR 108 HG21 THR 108 -9.050 5.330 -3.548 909 HG22 THR 108 HG22 THR 108 -10.587 6.117 -3.192 910 HG23 THR 108 HG23 THR 108 -9.375 5.937 -1.921 911 H SER 109 H SER 109 -6.753 7.626 -5.564 912 HA SER 109 HA SER 109 -6.113 10.466 -5.680 913 HB2 SER 109 HB2 SER 109 -3.788 9.948 -6.581 914 HB3 SER 109 HB3 SER 109 -4.009 9.613 -4.865 915 HG SER 109 HG SER 109 -4.500 7.377 -5.658 916 H ARG 110 H ARG 110 -6.648 11.268 -7.592 917 HA ARG 110 HA ARG 110 -7.646 9.689 -9.751 918 HB2 ARG 110 HB2 ARG 110 -7.080 12.660 -9.457 919 HB3 ARG 110 HB3 ARG 110 -7.725 11.974 -10.939 920 HG2 ARG 110 HG2 ARG 110 -9.088 11.836 -8.232 921 HG3 ARG 110 HG3 ARG 110 -9.467 12.992 -9.514 922 HD2 ARG 110 HD2 ARG 110 -9.803 9.981 -9.619 923 HD3 ARG 110 HD3 ARG 110 -11.080 11.199 -9.590 924 HE ARG 110 HE ARG 110 -9.481 11.713 -11.820 925 HH11 ARG 110 HH11 ARG 110 -11.705 9.204 -10.752 926 HH12 ARG 110 HH12 ARG 110 -12.130 8.749 -12.373 927 HH21 ARG 110 HH21 ARG 110 -10.033 11.059 -13.930 928 HH22 ARG 110 HH22 ARG 110 -11.194 9.787 -14.153 929 H ASN 111 H ASN 111 -4.506 10.977 -8.982 930 HA ASN 111 HA ASN 111 -3.333 9.623 -11.255 931 HB2 ASN 111 HB2 ASN 111 -2.241 11.531 -12.272 932 HB3 ASN 111 HB3 ASN 111 -3.958 11.901 -12.167 933 HD21 ASN 111 HD21 ASN 111 -4.638 13.499 -10.656 934 HD22 ASN 111 HD22 ASN 111 -3.517 14.630 -9.985 935 H GLU 112 H GLU 112 -0.855 10.288 -11.253 936 HA GLU 112 HA GLU 112 0.231 8.945 -9.031 937 HB2 GLU 112 HB2 GLU 112 1.100 8.776 -11.317 938 HB3 GLU 112 HB3 GLU 112 1.525 10.483 -11.305 939 HG2 GLU 112 HG2 GLU 112 3.120 9.907 -9.351 940 HG3 GLU 112 HG3 GLU 112 2.844 8.217 -9.789 941 H ASP 113 H ASP 113 0.165 12.413 -9.886 942 HA ASP 113 HA ASP 113 2.008 13.353 -7.955 943 HB2 ASP 113 HB2 ASP 113 -0.373 14.790 -9.204 944 HB3 ASP 113 HB3 ASP 113 0.851 15.590 -8.215 945 H GLU 114 H GLU 114 -1.532 13.109 -7.876 946 HA GLU 114 HA GLU 114 -1.980 13.871 -5.200 947 HB2 GLU 114 HB2 GLU 114 -3.558 12.060 -7.058 948 HB3 GLU 114 HB3 GLU 114 -4.145 12.554 -5.472 949 HG2 GLU 114 HG2 GLU 114 -4.168 14.880 -6.153 950 HG3 GLU 114 HG3 GLU 114 -3.454 14.468 -7.713 951 H ALA 115 H ALA 115 -1.232 10.753 -6.665 952 HA ALA 115 HA ALA 115 -1.590 9.036 -4.478 953 HB1 ALA 115 HB1 ALA 115 -0.115 7.487 -5.684 954 HB2 ALA 115 HB2 ALA 115 0.410 8.798 -6.747 955 HB3 ALA 115 HB3 ALA 115 -1.265 8.244 -6.782 956 H LYS 116 H LYS 116 1.140 10.998 -5.505 957 HA LYS 116 HA LYS 116 3.029 10.021 -3.594 958 HB2 LYS 116 HB2 LYS 116 3.634 10.970 -5.823 959 HB3 LYS 116 HB3 LYS 116 3.091 12.559 -5.284 960 HG2 LYS 116 HG2 LYS 116 4.857 12.662 -3.606 961 HG3 LYS 116 HG3 LYS 116 5.353 11.005 -3.957 962 HD2 LYS 116 HD2 LYS 116 5.521 13.356 -5.883 963 HD3 LYS 116 HD3 LYS 116 6.876 12.645 -5.006 964 HE2 LYS 116 HE2 LYS 116 6.558 10.519 -6.201 965 HE3 LYS 116 HE3 LYS 116 5.173 11.204 -7.067 966 HZ1 LYS 116 HZ1 LYS 116 7.975 12.168 -7.224 967 HZ2 LYS 116 HZ2 LYS 116 6.662 12.834 -8.056 968 HZ3 LYS 116 HZ3 LYS 116 7.175 11.260 -8.401 969 H LYS 117 H LYS 117 0.737 12.739 -3.681 970 HA LYS 117 HA LYS 117 1.575 14.129 -1.352 971 HB2 LYS 117 HB2 LYS 117 -1.341 13.811 -2.201 972 HB3 LYS 117 HB3 LYS 117 -0.650 15.124 -1.261 973 HG2 LYS 117 HG2 LYS 117 -0.239 14.571 -4.205 974 HG3 LYS 117 HG3 LYS 117 -1.181 15.879 -3.502 975 HD2 LYS 117 HD2 LYS 117 1.832 15.566 -3.226 976 HD3 LYS 117 HD3 LYS 117 1.026 16.609 -4.396 977 HE2 LYS 117 HE2 LYS 117 0.036 17.921 -2.571 978 HE3 LYS 117 HE3 LYS 117 0.813 16.870 -1.382 979 HZ1 LYS 117 HZ1 LYS 117 2.214 18.586 -3.366 980 HZ2 LYS 117 HZ2 LYS 117 2.968 17.566 -2.251 981 HZ3 LYS 117 HZ3 LYS 117 2.075 18.894 -1.711 982 H LYS 118 H LYS 118 -0.780 11.565 -1.875 983 HA LYS 118 HA LYS 118 -1.530 11.136 0.844 984 HB2 LYS 118 HB2 LYS 118 -1.961 9.419 -1.652 985 HB3 LYS 118 HB3 LYS 118 -2.772 9.179 -0.108 986 HG2 LYS 118 HG2 LYS 118 -3.054 11.582 -1.937 987 HG3 LYS 118 HG3 LYS 118 -4.273 10.341 -1.635 988 HD2 LYS 118 HD2 LYS 118 -4.555 11.074 0.651 989 HD3 LYS 118 HD3 LYS 118 -3.155 12.140 0.545 990 HE2 LYS 118 HE2 LYS 118 -4.418 13.478 -1.184 991 HE3 LYS 118 HE3 LYS 118 -5.841 12.497 -0.813 992 HZ1 LYS 118 HZ1 LYS 118 -5.766 13.236 1.454 993 HZ2 LYS 118 HZ2 LYS 118 -5.744 14.598 0.452 994 HZ3 LYS 118 HZ3 LYS 118 -4.318 14.071 1.196 995 H LEU 119 H LEU 119 0.974 9.902 -1.202 996 HA LEU 119 HA LEU 119 1.635 7.511 0.180 997 HB2 LEU 119 HB2 LEU 119 2.331 7.987 -2.153 998 HB3 LEU 119 HB3 LEU 119 3.358 9.288 -1.584 999 HG LEU 119 HG LEU 119 4.820 7.641 -0.427 1000 HD11 LEU 119 HD11 LEU 119 3.186 5.893 0.089 1001 HD12 LEU 119 HD12 LEU 119 4.555 5.225 -0.797 1002 HD13 LEU 119 HD13 LEU 119 3.022 5.509 -1.626 1003 HD21 LEU 119 HD21 LEU 119 4.370 6.994 -3.360 1004 HD22 LEU 119 HD22 LEU 119 5.842 6.674 -2.438 1005 HD23 LEU 119 HD23 LEU 119 5.335 8.335 -2.735 1006 H LYS 120 H LYS 120 2.973 10.836 0.299 1007 HA LYS 120 HA LYS 120 4.808 10.248 2.421 1008 HB2 LYS 120 HB2 LYS 120 3.771 12.943 1.482 1009 HB3 LYS 120 HB3 LYS 120 5.078 12.712 2.640 1010 HG2 LYS 120 HG2 LYS 120 6.248 11.367 0.763 1011 HG3 LYS 120 HG3 LYS 120 5.062 12.098 -0.317 1012 HD2 LYS 120 HD2 LYS 120 7.132 13.540 1.382 1013 HD3 LYS 120 HD3 LYS 120 7.116 13.397 -0.373 1014 HE2 LYS 120 HE2 LYS 120 6.354 15.580 -0.005 1015 HE3 LYS 120 HE3 LYS 120 4.862 14.685 -0.254 1016 HZ1 LYS 120 HZ1 LYS 120 5.989 15.467 2.383 1017 HZ2 LYS 120 HZ2 LYS 120 4.525 14.663 2.142 1018 HZ3 LYS 120 HZ3 LYS 120 4.718 16.243 1.589 1019 H GLU 121 H GLU 121 1.466 11.430 2.321 1020 HA GLU 121 HA GLU 121 1.147 12.083 5.052 1021 HB2 GLU 121 HB2 GLU 121 -0.852 11.053 2.997 1022 HB3 GLU 121 HB3 GLU 121 -1.329 11.505 4.631 1023 HG2 GLU 121 HG2 GLU 121 -0.608 13.806 4.249 1024 HG3 GLU 121 HG3 GLU 121 -0.002 13.380 2.651 1025 H ALA 122 H ALA 122 0.821 9.028 3.305 1026 HA ALA 122 HA ALA 122 0.048 7.333 5.436 1027 HB1 ALA 122 HB1 ALA 122 -0.165 6.720 3.064 1028 HB2 ALA 122 HB2 ALA 122 0.774 5.510 3.941 1029 HB3 ALA 122 HB3 ALA 122 1.590 6.683 2.900 1030 H LEU 123 H LEU 123 3.216 8.261 4.148 1031 HA LEU 123 HA LEU 123 4.793 6.609 5.856 1032 HB2 LEU 123 HB2 LEU 123 5.494 9.044 4.168 1033 HB3 LEU 123 HB3 LEU 123 6.695 8.090 5.028 1034 HG LEU 123 HG LEU 123 4.863 6.946 2.875 1035 HD11 LEU 123 HD11 LEU 123 7.754 7.805 2.554 1036 HD12 LEU 123 HD12 LEU 123 6.347 8.621 1.870 1037 HD13 LEU 123 HD13 LEU 123 6.762 6.994 1.337 1038 HD21 LEU 123 HD21 LEU 123 5.651 5.251 4.454 1039 HD22 LEU 123 HD22 LEU 123 7.325 5.751 4.196 1040 HD23 LEU 123 HD23 LEU 123 6.405 5.025 2.875 1041 H GLU 124 H GLU 124 3.481 9.880 6.182 1042 HA GLU 124 HA GLU 124 4.937 10.500 8.601 1043 HB2 GLU 124 HB2 GLU 124 2.476 11.757 7.322 1044 HB3 GLU 124 HB3 GLU 124 3.173 12.342 8.829 1045 HG2 GLU 124 HG2 GLU 124 5.309 12.819 7.647 1046 HG3 GLU 124 HG3 GLU 124 4.585 12.242 6.149 1047 H LYS 125 H LYS 125 1.922 8.867 7.833 1048 HA LYS 125 HA LYS 125 0.884 8.737 10.519 1049 HB2 LYS 125 HB2 LYS 125 0.237 7.157 7.990 1050 HB3 LYS 125 HB3 LYS 125 -0.623 6.927 9.508 1051 HG2 LYS 125 HG2 LYS 125 -0.464 9.632 8.157 1052 HG3 LYS 125 HG3 LYS 125 -1.702 8.455 7.740 1053 HD2 LYS 125 HD2 LYS 125 -1.344 9.259 10.634 1054 HD3 LYS 125 HD3 LYS 125 -2.199 10.335 9.530 1055 HE2 LYS 125 HE2 LYS 125 -2.954 7.435 10.038 1056 HE3 LYS 125 HE3 LYS 125 -3.744 8.836 10.763 1057 HZ1 LYS 125 HZ1 LYS 125 -3.637 8.201 7.855 1058 HZ2 LYS 125 HZ2 LYS 125 -4.332 9.594 8.519 1059 HZ3 LYS 125 HZ3 LYS 125 -4.990 8.076 8.859 1060 H SER 126 H SER 126 3.090 6.779 8.579 1061 HA SER 126 HA SER 126 3.213 4.585 10.448 1062 HB2 SER 126 HB2 SER 126 5.079 3.767 9.035 1063 HB3 SER 126 HB3 SER 126 3.681 4.211 8.060 1064 HG SER 126 HG SER 126 6.091 5.016 7.687 1065 H GLY 127 H GLY 127 4.781 7.639 10.089 1066 HA2 GLY 127 HA2 GLY 127 5.979 8.700 11.872 1067 HA3 GLY 127 HA3 GLY 127 6.577 7.129 12.398 1068 H SER 128 H SER 128 6.770 6.973 9.157 1069 HA SER 128 HA SER 128 9.581 7.469 8.928 1070 HB2 SER 128 HB2 SER 128 7.494 6.977 6.744 1071 HB3 SER 128 HB3 SER 128 9.241 6.805 6.574 1072 HG SER 128 HG SER 128 9.186 4.964 7.626 1073 H LEU 129 H LEU 129 9.765 9.654 9.549 1074 HA LEU 129 HA LEU 129 8.543 11.752 7.879 1075 HB2 LEU 129 HB2 LEU 129 10.224 11.979 10.418 1076 HB3 LEU 129 HB3 LEU 129 9.418 13.309 9.609 1077 HG LEU 129 HG LEU 129 8.004 10.981 10.975 1078 HD11 LEU 129 HD11 LEU 129 8.312 13.861 11.909 1079 HD12 LEU 129 HD12 LEU 129 9.098 12.444 12.610 1080 HD13 LEU 129 HD13 LEU 129 7.347 12.606 12.698 1081 HD21 LEU 129 HD21 LEU 129 5.941 12.279 10.640 1082 HD22 LEU 129 HD22 LEU 129 6.682 11.828 9.109 1083 HD23 LEU 129 HD23 LEU 129 6.837 13.482 9.708 1084 H GLU 130 H GLU 130 11.743 11.062 9.303 1085 HA GLU 130 HA GLU 130 13.867 11.512 8.774 1086 HB2 GLU 130 HB2 GLU 130 12.984 11.391 5.867 1087 HB3 GLU 130 HB3 GLU 130 14.632 11.221 6.450 1088 HG2 GLU 130 HG2 GLU 130 12.374 9.309 7.121 1089 HG3 GLU 130 HG3 GLU 130 13.530 9.060 5.823 1090 H HIS 131 H HIS 131 11.684 13.712 8.706 1091 HA HIS 131 HA HIS 131 13.550 15.955 8.435 1092 HB2 HIS 131 HB2 HIS 131 10.752 15.913 7.167 1093 HB3 HIS 131 HB3 HIS 131 11.700 17.373 7.409 1094 HD2 HIS 131 HD2 HIS 131 14.442 16.853 6.020 1095 HE1 HIS 131 HE1 HIS 131 12.193 15.371 2.759 1096 HE2 HIS 131 HE2 HIS 131 14.471 16.162 3.522 1097 H HIS 132 H HIS 132 12.671 17.854 9.634 1098 HA HIS 132 HA HIS 132 11.082 17.229 11.956 1099 HB2 HIS 132 HB2 HIS 132 11.294 19.685 12.451 1100 HB3 HIS 132 HB3 HIS 132 12.843 18.893 12.184 1101 HD2 HIS 132 HD2 HIS 132 11.033 22.005 11.070 1102 HE1 HIS 132 HE1 HIS 132 13.962 21.220 8.123 1103 HE2 HIS 132 HE2 HIS 132 12.161 22.824 8.883 1104 H HIS 133 H HIS 133 8.948 16.961 11.807 1105 HA HIS 133 HA HIS 133 7.350 17.754 9.577 1106 HB2 HIS 133 HB2 HIS 133 6.931 15.670 10.885 1107 HB3 HIS 133 HB3 HIS 133 6.516 16.633 12.299 1108 HD1 HIS 133 HD1 HIS 133 4.069 16.751 12.612 1109 HD2 HIS 133 HD2 HIS 133 5.080 16.490 8.597 1110 HE1 HIS 133 HE1 HIS 133 1.892 16.754 11.374 1111 HE2 HIS 133 HE2 HIS 133 2.531 16.383 8.965 1112 H HIS 134 H HIS 134 7.072 18.599 13.048 1113 HA HIS 134 HA HIS 134 7.001 21.461 12.482 1114 HB2 HIS 134 HB2 HIS 134 4.681 20.052 13.904 1115 HB3 HIS 134 HB3 HIS 134 4.994 21.774 14.081 1116 HD1 HIS 134 HD1 HIS 134 4.783 23.200 11.815 1117 HD2 HIS 134 HD2 HIS 134 3.116 19.393 11.731 1118 HE1 HIS 134 HE1 HIS 134 3.231 23.189 9.848 1119 HE2 HIS 134 HE2 HIS 134 2.338 20.842 9.741 1120 H HIS 135 H HIS 135 6.079 19.397 15.223 1121 HA HIS 135 HA HIS 135 8.615 19.996 16.640 1122 HB2 HIS 135 HB2 HIS 135 5.835 19.664 17.900 1123 HB3 HIS 135 HB3 HIS 135 7.344 19.865 18.791 1124 HD1 HIS 135 HD1 HIS 135 8.493 22.262 18.597 1125 HD2 HIS 135 HD2 HIS 135 4.664 22.017 17.009 1126 HE1 HIS 135 HE1 HIS 135 7.721 24.631 18.327 1127 HE2 HIS 135 HE2 HIS 135 5.344 24.446 17.534 1128 H HIS 136 H HIS 136 9.687 18.136 16.312 1129 HA HIS 136 HA HIS 136 10.255 16.023 15.829 1130 HB2 HIS 136 HB2 HIS 136 9.414 15.243 17.957 1131 HB3 HIS 136 HB3 HIS 136 7.744 15.302 17.403 1132 HD1 HIS 136 HD1 HIS 136 10.950 13.376 16.667 1133 HD2 HIS 136 HD2 HIS 136 6.831 12.883 16.465 1134 HE1 HIS 136 HE1 HIS 136 10.590 11.009 15.933 1135 HE2 HIS 136 HE2 HIS 136 8.097 10.743 15.769 Start of MODEL 13 1 H1 MET 1 H1 MET 1 2.250 -2.327 15.501 2 H2 MET 1 H2 MET 1 3.081 -1.215 16.454 3 H3 MET 1 H3 MET 1 2.381 -2.575 17.163 4 HA MET 1 HA MET 1 4.742 -2.870 16.991 5 HB2 MET 1 HB2 MET 1 3.204 -4.823 16.724 6 HB3 MET 1 HB3 MET 1 3.201 -4.580 14.982 7 HG2 MET 1 HG2 MET 1 4.675 -6.414 15.543 8 HG3 MET 1 HG3 MET 1 5.641 -5.066 14.942 9 HE1 MET 1 HE1 MET 1 4.558 -7.116 18.170 10 HE2 MET 1 HE2 MET 1 4.017 -5.485 18.565 11 HE3 MET 1 HE3 MET 1 5.369 -6.201 19.440 12 H GLY 2 H GLY 2 3.153 -2.001 13.988 13 HA2 GLY 2 HA2 GLY 2 5.369 -0.586 12.888 14 HA3 GLY 2 HA3 GLY 2 5.185 -2.160 12.103 15 H VAL 3 H VAL 3 4.754 -0.769 10.175 16 HA VAL 3 HA VAL 3 1.863 -0.151 9.928 17 HB VAL 3 HB VAL 3 4.157 1.742 9.174 18 HG11 VAL 3 HG11 VAL 3 1.243 2.002 8.368 19 HG12 VAL 3 HG12 VAL 3 2.613 1.734 7.285 20 HG13 VAL 3 HG13 VAL 3 2.474 3.253 8.169 21 HG21 VAL 3 HG21 VAL 3 2.955 3.377 10.598 22 HG22 VAL 3 HG22 VAL 3 3.416 1.939 11.503 23 HG23 VAL 3 HG23 VAL 3 1.746 2.150 10.980 24 H VAL 4 H VAL 4 1.012 -0.662 7.924 25 HA VAL 4 HA VAL 4 2.823 -1.623 5.785 26 HB VAL 4 HB VAL 4 0.182 -2.959 6.603 27 HG11 VAL 4 HG11 VAL 4 0.758 -4.689 4.937 28 HG12 VAL 4 HG12 VAL 4 2.175 -3.755 4.451 29 HG13 VAL 4 HG13 VAL 4 0.555 -3.103 4.187 30 HG21 VAL 4 HG21 VAL 4 1.960 -3.464 8.230 31 HG22 VAL 4 HG22 VAL 4 3.013 -4.020 6.929 32 HG23 VAL 4 HG23 VAL 4 1.527 -4.899 7.298 33 H ILE 5 H ILE 5 2.546 -0.269 4.136 34 HA ILE 5 HA ILE 5 -0.027 1.068 3.583 35 HB ILE 5 HB ILE 5 2.792 1.719 2.560 36 HG12 ILE 5 HG12 ILE 5 1.148 3.184 4.675 37 HG13 ILE 5 HG13 ILE 5 2.521 2.138 5.013 38 HG21 ILE 5 HG21 ILE 5 1.815 3.827 1.711 39 HG22 ILE 5 HG22 ILE 5 0.215 3.301 2.231 40 HG23 ILE 5 HG23 ILE 5 1.059 2.420 0.956 41 HD11 ILE 5 HD11 ILE 5 2.602 4.737 3.490 42 HD12 ILE 5 HD12 ILE 5 3.983 3.675 3.792 43 HD13 ILE 5 HD13 ILE 5 3.153 4.448 5.140 44 H LEU 6 H LEU 6 -1.171 -0.162 2.139 45 HA LEU 6 HA LEU 6 0.158 -1.675 -0.008 46 HB2 LEU 6 HB2 LEU 6 -2.772 -1.639 0.797 47 HB3 LEU 6 HB3 LEU 6 -2.002 -2.797 -0.267 48 HG LEU 6 HG LEU 6 -1.519 -2.511 2.719 49 HD11 LEU 6 HD11 LEU 6 -3.686 -3.478 2.235 50 HD12 LEU 6 HD12 LEU 6 -2.601 -4.705 2.881 51 HD13 LEU 6 HD13 LEU 6 -2.957 -4.666 1.150 52 HD21 LEU 6 HD21 LEU 6 0.520 -3.204 1.601 53 HD22 LEU 6 HD22 LEU 6 -0.342 -4.500 0.769 54 HD23 LEU 6 HD23 LEU 6 -0.168 -4.535 2.525 55 H VAL 7 H VAL 7 0.592 -0.238 -1.638 56 HA VAL 7 HA VAL 7 -1.430 1.671 -2.536 57 HB VAL 7 HB VAL 7 1.382 1.220 -3.671 58 HG11 VAL 7 HG11 VAL 7 -0.139 2.395 -5.214 59 HG12 VAL 7 HG12 VAL 7 1.112 3.483 -4.617 60 HG13 VAL 7 HG13 VAL 7 -0.524 3.578 -3.961 61 HG21 VAL 7 HG21 VAL 7 0.506 3.247 -1.574 62 HG22 VAL 7 HG22 VAL 7 2.106 3.148 -2.313 63 HG23 VAL 7 HG23 VAL 7 1.529 1.836 -1.286 64 H LEU 8 H LEU 8 -3.018 0.683 -3.665 65 HA LEU 8 HA LEU 8 -2.499 -1.438 -5.614 66 HB2 LEU 8 HB2 LEU 8 -5.047 -0.174 -4.524 67 HB3 LEU 8 HB3 LEU 8 -5.078 -1.235 -5.919 68 HG LEU 8 HG LEU 8 -4.082 -3.069 -4.453 69 HD11 LEU 8 HD11 LEU 8 -3.112 -1.714 -2.680 70 HD12 LEU 8 HD12 LEU 8 -4.261 -2.878 -2.027 71 HD13 LEU 8 HD13 LEU 8 -4.718 -1.180 -2.182 72 HD21 LEU 8 HD21 LEU 8 -6.227 -3.630 -3.385 73 HD22 LEU 8 HD22 LEU 8 -6.460 -3.034 -5.025 74 HD23 LEU 8 HD23 LEU 8 -6.801 -1.981 -3.649 75 H THR 9 H THR 9 -1.633 -0.637 -7.497 76 HA THR 9 HA THR 9 -2.580 1.970 -8.559 77 HB THR 9 HB THR 9 -0.475 1.878 -9.945 78 HG1 THR 9 HG1 THR 9 0.085 -0.204 -10.141 79 HG21 THR 9 HG21 THR 9 0.049 1.528 -6.972 80 HG22 THR 9 HG22 THR 9 -0.359 3.043 -7.777 81 HG23 THR 9 HG23 THR 9 1.169 2.238 -8.140 82 H GLY 10 H GLY 10 -3.640 2.054 -10.458 83 HA2 GLY 10 HA2 GLY 10 -4.655 -0.249 -11.775 84 HA3 GLY 10 HA3 GLY 10 -4.773 1.415 -12.341 85 H ASP 11 H ASP 11 -2.183 2.099 -12.564 86 HA ASP 11 HA ASP 11 -1.232 0.549 -14.859 87 HB2 ASP 11 HB2 ASP 11 -1.446 2.944 -15.238 88 HB3 ASP 11 HB3 ASP 11 -0.503 3.316 -13.800 89 H GLU 12 H GLU 12 0.808 -0.290 -14.972 90 HA GLU 12 HA GLU 12 1.881 -1.454 -12.586 91 HB2 GLU 12 HB2 GLU 12 1.724 -2.709 -14.683 92 HB3 GLU 12 HB3 GLU 12 2.723 -1.527 -15.517 93 HG2 GLU 12 HG2 GLU 12 4.657 -2.185 -14.104 94 HG3 GLU 12 HG3 GLU 12 3.650 -3.391 -13.306 95 H ARG 13 H ARG 13 2.906 1.136 -14.791 96 HA ARG 13 HA ARG 13 5.625 1.271 -13.932 97 HB2 ARG 13 HB2 ARG 13 3.947 3.335 -15.407 98 HB3 ARG 13 HB3 ARG 13 5.693 3.431 -15.192 99 HG2 ARG 13 HG2 ARG 13 6.013 1.414 -16.529 100 HG3 ARG 13 HG3 ARG 13 4.266 1.198 -16.683 101 HD2 ARG 13 HD2 ARG 13 4.100 3.315 -17.925 102 HD3 ARG 13 HD3 ARG 13 5.840 3.572 -17.740 103 HE ARG 13 HE ARG 13 5.733 1.162 -18.949 104 HH11 ARG 13 HH11 ARG 13 4.224 4.238 -19.740 105 HH12 ARG 13 HH12 ARG 13 4.232 3.940 -21.449 106 HH21 ARG 13 HH21 ARG 13 5.779 0.792 -21.195 107 HH22 ARG 13 HH22 ARG 13 5.116 1.977 -22.281 108 H ILE 14 H ILE 14 2.686 3.060 -13.040 109 HA ILE 14 HA ILE 14 3.792 5.086 -11.455 110 HB ILE 14 HB ILE 14 1.074 3.707 -11.132 111 HG12 ILE 14 HG12 ILE 14 1.861 6.278 -12.596 112 HG13 ILE 14 HG13 ILE 14 1.362 4.770 -13.349 113 HG21 ILE 14 HG21 ILE 14 0.348 5.726 -9.872 114 HG22 ILE 14 HG22 ILE 14 1.996 6.353 -9.935 115 HG23 ILE 14 HG23 ILE 14 1.653 4.873 -9.041 116 HD11 ILE 14 HD11 ILE 14 -0.411 6.405 -13.405 117 HD12 ILE 14 HD12 ILE 14 -0.378 6.551 -11.648 118 HD13 ILE 14 HD13 ILE 14 -0.875 5.034 -12.402 119 H ALA 15 H ALA 15 2.969 1.738 -10.619 120 HA ALA 15 HA ALA 15 3.437 1.798 -7.847 121 HB1 ALA 15 HB1 ALA 15 3.710 -0.646 -8.016 122 HB2 ALA 15 HB2 ALA 15 3.854 -0.514 -9.773 123 HB3 ALA 15 HB3 ALA 15 2.341 -0.088 -8.974 124 H GLU 16 H GLU 16 5.687 1.332 -10.561 125 HA GLU 16 HA GLU 16 7.971 0.717 -8.921 126 HB2 GLU 16 HB2 GLU 16 7.711 -0.100 -11.283 127 HB3 GLU 16 HB3 GLU 16 7.906 1.557 -11.855 128 HG2 GLU 16 HG2 GLU 16 10.163 1.594 -10.712 129 HG3 GLU 16 HG3 GLU 16 9.953 -0.119 -10.375 130 H GLU 17 H GLU 17 6.643 3.663 -10.366 131 HA GLU 17 HA GLU 17 8.940 5.320 -9.938 132 HB2 GLU 17 HB2 GLU 17 6.037 6.199 -10.197 133 HB3 GLU 17 HB3 GLU 17 7.457 7.207 -10.427 134 HG2 GLU 17 HG2 GLU 17 6.576 4.909 -12.184 135 HG3 GLU 17 HG3 GLU 17 6.468 6.618 -12.564 136 H LEU 18 H LEU 18 5.970 4.674 -8.124 137 HA LEU 18 HA LEU 18 6.539 6.349 -5.894 138 HB2 LEU 18 HB2 LEU 18 4.741 3.906 -6.165 139 HB3 LEU 18 HB3 LEU 18 4.789 4.926 -4.735 140 HG LEU 18 HG LEU 18 3.930 5.856 -7.511 141 HD11 LEU 18 HD11 LEU 18 2.222 5.287 -5.067 142 HD12 LEU 18 HD12 LEU 18 2.314 4.293 -6.523 143 HD13 LEU 18 HD13 LEU 18 1.657 5.923 -6.615 144 HD21 LEU 18 HD21 LEU 18 4.938 7.682 -6.223 145 HD22 LEU 18 HD22 LEU 18 3.860 7.347 -4.866 146 HD23 LEU 18 HD23 LEU 18 3.199 7.921 -6.399 147 H ARG 19 H ARG 19 7.455 3.042 -6.765 148 HA ARG 19 HA ARG 19 8.465 2.159 -4.283 149 HB2 ARG 19 HB2 ARG 19 8.115 0.650 -6.247 150 HB3 ARG 19 HB3 ARG 19 9.485 1.397 -7.067 151 HG2 ARG 19 HG2 ARG 19 11.009 0.572 -5.324 152 HG3 ARG 19 HG3 ARG 19 9.643 -0.095 -4.429 153 HD2 ARG 19 HD2 ARG 19 10.706 -1.906 -5.589 154 HD3 ARG 19 HD3 ARG 19 9.171 -1.591 -6.402 155 HE ARG 19 HE ARG 19 11.508 -0.261 -7.525 156 HH11 ARG 19 HH11 ARG 19 9.383 -3.070 -7.758 157 HH12 ARG 19 HH12 ARG 19 9.869 -3.446 -9.380 158 HH21 ARG 19 HH21 ARG 19 12.187 -0.823 -9.607 159 HH22 ARG 19 HH22 ARG 19 11.461 -2.172 -10.426 160 H LYS 20 H LYS 20 10.056 3.842 -6.969 161 HA LYS 20 HA LYS 20 12.620 4.230 -5.906 162 HB2 LYS 20 HB2 LYS 20 11.007 6.134 -7.671 163 HB3 LYS 20 HB3 LYS 20 12.750 6.203 -7.433 164 HG2 LYS 20 HG2 LYS 20 13.039 4.064 -8.559 165 HG3 LYS 20 HG3 LYS 20 11.290 3.868 -8.713 166 HD2 LYS 20 HD2 LYS 20 11.178 5.849 -10.185 167 HD3 LYS 20 HD3 LYS 20 12.919 6.108 -9.993 168 HE2 LYS 20 HE2 LYS 20 12.470 5.035 -12.135 169 HE3 LYS 20 HE3 LYS 20 13.330 3.904 -11.087 170 HZ1 LYS 20 HZ1 LYS 20 11.486 2.865 -12.272 171 HZ2 LYS 20 HZ2 LYS 20 10.392 3.922 -11.536 172 HZ3 LYS 20 HZ3 LYS 20 11.243 2.811 -10.598 173 H GLU 21 H GLU 21 9.664 6.126 -5.626 174 HA GLU 21 HA GLU 21 10.710 8.385 -4.341 175 HB2 GLU 21 HB2 GLU 21 8.512 8.181 -5.598 176 HB3 GLU 21 HB3 GLU 21 7.845 7.370 -4.185 177 HG2 GLU 21 HG2 GLU 21 7.203 9.723 -4.226 178 HG3 GLU 21 HG3 GLU 21 8.226 9.391 -2.831 179 H VAL 22 H VAL 22 9.301 5.413 -3.034 180 HA VAL 22 HA VAL 22 9.211 6.203 -0.296 181 HB VAL 22 HB VAL 22 9.290 3.412 -1.543 182 HG11 VAL 22 HG11 VAL 22 8.655 4.194 1.332 183 HG12 VAL 22 HG12 VAL 22 10.059 3.272 0.785 184 HG13 VAL 22 HG13 VAL 22 8.442 2.584 0.641 185 HG21 VAL 22 HG21 VAL 22 6.940 4.996 -0.452 186 HG22 VAL 22 HG22 VAL 22 6.875 3.382 -1.164 187 HG23 VAL 22 HG23 VAL 22 7.311 4.769 -2.159 188 H GLN 23 H GLN 23 11.624 4.525 -2.290 189 HA GLN 23 HA GLN 23 13.483 3.968 -0.198 190 HB2 GLN 23 HB2 GLN 23 13.888 4.198 -3.214 191 HB3 GLN 23 HB3 GLN 23 15.115 3.606 -2.093 192 HG2 GLN 23 HG2 GLN 23 13.726 1.709 -1.481 193 HG3 GLN 23 HG3 GLN 23 12.384 2.334 -2.438 194 HE21 GLN 23 HE21 GLN 23 12.279 0.429 -3.670 195 HE22 GLN 23 HE22 GLN 23 13.457 0.054 -4.880 196 H LYS 24 H LYS 24 12.937 6.740 -2.294 197 HA LYS 24 HA LYS 24 15.237 8.302 -1.651 198 HB2 LYS 24 HB2 LYS 24 12.429 9.156 -2.518 199 HB3 LYS 24 HB3 LYS 24 13.795 10.258 -2.408 200 HG2 LYS 24 HG2 LYS 24 13.715 7.851 -4.237 201 HG3 LYS 24 HG3 LYS 24 13.239 9.476 -4.725 202 HD2 LYS 24 HD2 LYS 24 15.540 10.285 -4.198 203 HD3 LYS 24 HD3 LYS 24 16.007 8.631 -3.776 204 HE2 LYS 24 HE2 LYS 24 16.725 9.204 -6.056 205 HE3 LYS 24 HE3 LYS 24 15.540 7.899 -6.080 206 HZ1 LYS 24 HZ1 LYS 24 13.841 9.543 -6.657 207 HZ2 LYS 24 HZ2 LYS 24 15.081 9.499 -7.803 208 HZ3 LYS 24 HZ3 LYS 24 15.010 10.762 -6.682 209 H HIS 25 H HIS 25 12.002 8.006 -0.318 210 HA HIS 25 HA HIS 25 12.040 10.086 1.587 211 HB2 HIS 25 HB2 HIS 25 10.013 8.904 0.630 212 HB3 HIS 25 HB3 HIS 25 10.399 7.503 1.611 213 HD2 HIS 25 HD2 HIS 25 10.325 8.185 4.520 214 HE1 HIS 25 HE1 HIS 25 7.242 10.971 3.730 215 HE2 HIS 25 HE2 HIS 25 8.378 9.570 5.508 216 H ASP 26 H ASP 26 12.497 6.585 1.915 217 HA ASP 26 HA ASP 26 14.411 6.805 4.047 218 HB2 ASP 26 HB2 ASP 26 12.200 7.050 5.255 219 HB3 ASP 26 HB3 ASP 26 11.721 5.475 4.641 220 HA PRO 27 HA PRO 27 15.378 3.208 1.483 221 HB2 PRO 27 HB2 PRO 27 17.888 2.697 2.395 222 HB3 PRO 27 HB3 PRO 27 17.519 4.161 1.462 223 HG2 PRO 27 HG2 PRO 27 17.800 3.858 4.434 224 HG3 PRO 27 HG3 PRO 27 18.472 5.111 3.366 225 HD2 PRO 27 HD2 PRO 27 16.186 5.476 4.840 226 HD3 PRO 27 HD3 PRO 27 16.487 6.304 3.294 227 H ASN 28 H ASN 28 14.882 3.111 4.859 228 HA ASN 28 HA ASN 28 15.473 0.256 5.220 229 HB2 ASN 28 HB2 ASN 28 14.502 2.379 7.188 230 HB3 ASN 28 HB3 ASN 28 14.792 0.700 7.613 231 HD21 ASN 28 HD21 ASN 28 16.916 2.573 5.437 232 HD22 ASN 28 HD22 ASN 28 18.248 2.604 6.523 233 H VAL 29 H VAL 29 12.765 2.379 4.631 234 HA VAL 29 HA VAL 29 10.665 0.581 5.335 235 HB VAL 29 HB VAL 29 10.597 2.793 3.218 236 HG11 VAL 29 HG11 VAL 29 8.133 2.749 3.513 237 HG12 VAL 29 HG12 VAL 29 8.288 1.380 4.615 238 HG13 VAL 29 HG13 VAL 29 8.737 1.199 2.921 239 HG21 VAL 29 HG21 VAL 29 9.564 4.197 4.967 240 HG22 VAL 29 HG22 VAL 29 11.191 3.687 5.419 241 HG23 VAL 29 HG23 VAL 29 9.790 2.897 6.142 242 H LYS 30 H LYS 30 10.260 -1.319 4.405 243 HA LYS 30 HA LYS 30 11.712 -2.221 2.102 244 HB2 LYS 30 HB2 LYS 30 9.512 -3.605 3.712 245 HB3 LYS 30 HB3 LYS 30 10.551 -4.402 2.531 246 HG2 LYS 30 HG2 LYS 30 11.456 -3.087 5.105 247 HG3 LYS 30 HG3 LYS 30 11.307 -4.821 4.838 248 HD2 LYS 30 HD2 LYS 30 13.098 -3.255 2.984 249 HD3 LYS 30 HD3 LYS 30 13.652 -3.540 4.612 250 HE2 LYS 30 HE2 LYS 30 14.534 -5.272 3.181 251 HE3 LYS 30 HE3 LYS 30 13.336 -6.001 4.252 252 HZ1 LYS 30 HZ1 LYS 30 11.733 -5.904 2.432 253 HZ2 LYS 30 HZ2 LYS 30 13.104 -6.776 1.975 254 HZ3 LYS 30 HZ3 LYS 30 12.892 -5.195 1.430 255 H THR 31 H THR 31 10.982 -2.689 0.087 256 HA THR 31 HA THR 31 8.221 -1.819 -0.665 257 HB THR 31 HB THR 31 9.225 -1.015 -2.867 258 HG1 THR 31 HG1 THR 31 11.337 -2.163 -2.287 259 HG21 THR 31 HG21 THR 31 10.160 0.479 -0.392 260 HG22 THR 31 HG22 THR 31 8.567 0.613 -1.140 261 HG23 THR 31 HG23 THR 31 9.999 1.160 -2.015 262 H VAL 32 H VAL 32 7.098 -3.434 -1.566 263 HA VAL 32 HA VAL 32 8.523 -5.680 -2.891 264 HB VAL 32 HB VAL 32 5.727 -5.848 -1.667 265 HG11 VAL 32 HG11 VAL 32 7.717 -8.020 -2.429 266 HG12 VAL 32 HG12 VAL 32 6.279 -7.564 -3.347 267 HG13 VAL 32 HG13 VAL 32 6.110 -8.277 -1.743 268 HG21 VAL 32 HG21 VAL 32 6.713 -6.935 0.310 269 HG22 VAL 32 HG22 VAL 32 7.278 -5.272 0.145 270 HG23 VAL 32 HG23 VAL 32 8.336 -6.610 -0.308 271 HA PRO 33 HA PRO 33 6.129 -4.217 -6.487 272 HB2 PRO 33 HB2 PRO 33 7.205 -6.587 -7.939 273 HB3 PRO 33 HB3 PRO 33 7.497 -4.860 -8.236 274 HG2 PRO 33 HG2 PRO 33 9.417 -6.483 -7.259 275 HG3 PRO 33 HG3 PRO 33 9.315 -4.765 -6.808 276 HD2 PRO 33 HD2 PRO 33 8.374 -7.184 -5.258 277 HD3 PRO 33 HD3 PRO 33 9.274 -5.756 -4.686 278 H THR 34 H THR 34 4.549 -5.144 -7.994 279 HA THR 34 HA THR 34 2.507 -6.682 -6.798 280 HB THR 34 HB THR 34 1.480 -6.644 -9.090 281 HG1 THR 34 HG1 THR 34 2.682 -5.910 -10.812 282 HG21 THR 34 HG21 THR 34 1.226 -4.612 -7.693 283 HG22 THR 34 HG22 THR 34 1.369 -4.185 -9.398 284 HG23 THR 34 HG23 THR 34 2.749 -3.979 -8.317 285 H LYS 35 H LYS 35 5.274 -7.576 -8.664 286 HA LYS 35 HA LYS 35 4.461 -10.071 -9.750 287 HB2 LYS 35 HB2 LYS 35 7.290 -9.114 -9.114 288 HB3 LYS 35 HB3 LYS 35 6.838 -10.347 -10.291 289 HG2 LYS 35 HG2 LYS 35 5.713 -8.628 -11.671 290 HG3 LYS 35 HG3 LYS 35 6.143 -7.395 -10.474 291 HD2 LYS 35 HD2 LYS 35 8.558 -7.841 -10.891 292 HD3 LYS 35 HD3 LYS 35 8.124 -9.048 -12.105 293 HE2 LYS 35 HE2 LYS 35 7.466 -6.085 -12.257 294 HE3 LYS 35 HE3 LYS 35 8.768 -6.895 -13.125 295 HZ1 LYS 35 HZ1 LYS 35 6.855 -6.598 -14.536 296 HZ2 LYS 35 HZ2 LYS 35 5.871 -7.439 -13.450 297 HZ3 LYS 35 HZ3 LYS 35 7.110 -8.244 -14.257 298 H ASP 36 H ASP 36 5.542 -9.107 -6.627 299 HA ASP 36 HA ASP 36 6.394 -11.832 -5.824 300 HB2 ASP 36 HB2 ASP 36 7.255 -9.071 -4.822 301 HB3 ASP 36 HB3 ASP 36 7.770 -10.589 -4.102 302 H LYS 37 H LYS 37 3.742 -11.532 -5.797 303 HA LYS 37 HA LYS 37 2.431 -10.357 -3.625 304 HB2 LYS 37 HB2 LYS 37 1.652 -12.921 -5.064 305 HB3 LYS 37 HB3 LYS 37 0.578 -11.917 -4.091 306 HG2 LYS 37 HG2 LYS 37 0.886 -10.050 -5.708 307 HG3 LYS 37 HG3 LYS 37 1.898 -11.110 -6.703 308 HD2 LYS 37 HD2 LYS 37 -0.008 -12.668 -6.980 309 HD3 LYS 37 HD3 LYS 37 -1.012 -11.620 -5.979 310 HE2 LYS 37 HE2 LYS 37 -0.639 -9.793 -7.693 311 HE3 LYS 37 HE3 LYS 37 0.123 -11.017 -8.715 312 HZ1 LYS 37 HZ1 LYS 37 -2.681 -11.029 -7.726 313 HZ2 LYS 37 HZ2 LYS 37 -1.969 -12.298 -8.591 314 HZ3 LYS 37 HZ3 LYS 37 -2.171 -10.788 -9.320 315 H GLU 38 H GLU 38 3.951 -13.532 -3.852 316 HA GLU 38 HA GLU 38 3.050 -14.512 -1.293 317 HB2 GLU 38 HB2 GLU 38 5.276 -15.556 -3.094 318 HB3 GLU 38 HB3 GLU 38 4.514 -16.435 -1.769 319 HG2 GLU 38 HG2 GLU 38 2.363 -16.421 -2.961 320 HG3 GLU 38 HG3 GLU 38 3.081 -15.492 -4.276 321 H LYS 39 H LYS 39 5.913 -12.877 -2.545 322 HA LYS 39 HA LYS 39 7.478 -13.027 -0.156 323 HB2 LYS 39 HB2 LYS 39 7.668 -11.397 -2.691 324 HB3 LYS 39 HB3 LYS 39 8.684 -10.962 -1.329 325 HG2 LYS 39 HG2 LYS 39 8.669 -13.623 -2.781 326 HG3 LYS 39 HG3 LYS 39 9.902 -12.371 -2.902 327 HD2 LYS 39 HD2 LYS 39 9.242 -14.000 -0.417 328 HD3 LYS 39 HD3 LYS 39 10.659 -14.187 -1.449 329 HE2 LYS 39 HE2 LYS 39 11.478 -11.985 -0.819 330 HE3 LYS 39 HE3 LYS 39 10.007 -11.665 0.105 331 HZ1 LYS 39 HZ1 LYS 39 12.097 -13.677 0.709 332 HZ2 LYS 39 HZ2 LYS 39 10.622 -13.592 1.523 333 HZ3 LYS 39 HZ3 LYS 39 11.709 -12.297 1.610 334 H VAL 40 H VAL 40 4.861 -10.958 -1.136 335 HA VAL 40 HA VAL 40 5.327 -8.620 0.274 336 HB VAL 40 HB VAL 40 2.672 -10.065 -0.189 337 HG11 VAL 40 HG11 VAL 40 3.115 -7.237 0.828 338 HG12 VAL 40 HG12 VAL 40 2.384 -8.572 1.719 339 HG13 VAL 40 HG13 VAL 40 1.563 -7.897 0.315 340 HG21 VAL 40 HG21 VAL 40 3.913 -7.694 -1.640 341 HG22 VAL 40 HG22 VAL 40 2.337 -8.411 -1.996 342 HG23 VAL 40 HG23 VAL 40 3.812 -9.344 -2.253 343 H LYS 41 H LYS 41 3.634 -11.528 1.432 344 HA LYS 41 HA LYS 41 3.051 -10.725 4.041 345 HB2 LYS 41 HB2 LYS 41 2.018 -12.644 2.842 346 HB3 LYS 41 HB3 LYS 41 3.542 -13.524 2.923 347 HG2 LYS 41 HG2 LYS 41 3.363 -13.532 5.410 348 HG3 LYS 41 HG3 LYS 41 1.795 -12.730 5.277 349 HD2 LYS 41 HD2 LYS 41 0.924 -14.674 3.983 350 HD3 LYS 41 HD3 LYS 41 2.491 -15.473 4.143 351 HE2 LYS 41 HE2 LYS 41 2.215 -15.496 6.602 352 HE3 LYS 41 HE3 LYS 41 0.636 -14.727 6.425 353 HZ1 LYS 41 HZ1 LYS 41 0.414 -17.099 6.711 354 HZ2 LYS 41 HZ2 LYS 41 1.399 -17.401 5.374 355 HZ3 LYS 41 HZ3 LYS 41 -0.108 -16.665 5.165 356 H GLU 42 H GLU 42 5.902 -12.273 2.676 357 HA GLU 42 HA GLU 42 7.252 -12.898 5.105 358 HB2 GLU 42 HB2 GLU 42 8.364 -12.531 2.292 359 HB3 GLU 42 HB3 GLU 42 9.215 -13.298 3.627 360 HG2 GLU 42 HG2 GLU 42 6.707 -14.302 2.261 361 HG3 GLU 42 HG3 GLU 42 8.324 -14.989 2.130 362 H GLU 43 H GLU 43 7.398 -10.146 2.858 363 HA GLU 43 HA GLU 43 9.564 -8.864 4.268 364 HB2 GLU 43 HB2 GLU 43 7.808 -7.797 2.033 365 HB3 GLU 43 HB3 GLU 43 9.270 -7.023 2.639 366 HG2 GLU 43 HG2 GLU 43 9.053 -9.657 1.168 367 HG3 GLU 43 HG3 GLU 43 9.823 -8.183 0.601 368 H ILE 44 H ILE 44 6.121 -8.772 4.400 369 HA ILE 44 HA ILE 44 5.735 -6.469 6.015 370 HB ILE 44 HB ILE 44 4.108 -9.009 5.586 371 HG12 ILE 44 HG12 ILE 44 3.602 -6.079 4.888 372 HG13 ILE 44 HG13 ILE 44 4.028 -7.364 3.763 373 HG21 ILE 44 HG21 ILE 44 3.299 -6.770 7.466 374 HG22 ILE 44 HG22 ILE 44 3.712 -8.420 7.936 375 HG23 ILE 44 HG23 ILE 44 2.271 -8.117 6.968 376 HD11 ILE 44 HD11 ILE 44 1.700 -6.852 3.584 377 HD12 ILE 44 HD12 ILE 44 1.455 -7.112 5.309 378 HD13 ILE 44 HD13 ILE 44 1.883 -8.469 4.260 379 H GLU 45 H GLU 45 6.488 -9.871 6.700 380 HA GLU 45 HA GLU 45 6.476 -9.762 9.522 381 HB2 GLU 45 HB2 GLU 45 6.610 -11.801 7.834 382 HB3 GLU 45 HB3 GLU 45 8.346 -11.587 7.958 383 HG2 GLU 45 HG2 GLU 45 6.453 -12.176 10.249 384 HG3 GLU 45 HG3 GLU 45 7.478 -13.356 9.456 385 H LYS 46 H LYS 46 8.954 -8.984 7.078 386 HA LYS 46 HA LYS 46 11.159 -8.664 8.830 387 HB2 LYS 46 HB2 LYS 46 10.810 -7.119 6.227 388 HB3 LYS 46 HB3 LYS 46 12.319 -7.520 7.037 389 HG2 LYS 46 HG2 LYS 46 10.471 -9.334 5.507 390 HG3 LYS 46 HG3 LYS 46 12.155 -8.957 5.159 391 HD2 LYS 46 HD2 LYS 46 12.851 -10.260 7.152 392 HD3 LYS 46 HD3 LYS 46 11.151 -10.589 7.524 393 HE2 LYS 46 HE2 LYS 46 10.919 -11.786 5.372 394 HE3 LYS 46 HE3 LYS 46 12.624 -11.481 5.027 395 HZ1 LYS 46 HZ1 LYS 46 12.333 -13.678 5.914 396 HZ2 LYS 46 HZ2 LYS 46 11.550 -13.075 7.283 397 HZ3 LYS 46 HZ3 LYS 46 13.181 -12.739 7.034 398 H ALA 47 H ALA 47 8.921 -6.229 7.435 399 HA ALA 47 HA ALA 47 9.979 -3.970 8.798 400 HB1 ALA 47 HB1 ALA 47 7.178 -4.379 7.684 401 HB2 ALA 47 HB2 ALA 47 8.571 -3.773 6.785 402 HB3 ALA 47 HB3 ALA 47 7.911 -2.825 8.117 403 H ARG 48 H ARG 48 7.373 -6.206 9.584 404 HA ARG 48 HA ARG 48 6.321 -5.173 11.948 405 HB2 ARG 48 HB2 ARG 48 5.292 -7.041 10.823 406 HB3 ARG 48 HB3 ARG 48 6.752 -8.010 10.942 407 HG2 ARG 48 HG2 ARG 48 6.397 -8.119 13.437 408 HG3 ARG 48 HG3 ARG 48 4.853 -7.290 13.198 409 HD2 ARG 48 HD2 ARG 48 4.013 -9.120 11.838 410 HD3 ARG 48 HD3 ARG 48 5.591 -9.909 11.840 411 HE ARG 48 HE ARG 48 3.827 -9.635 14.202 412 HH11 ARG 48 HH11 ARG 48 6.278 -11.437 12.435 413 HH12 ARG 48 HH12 ARG 48 6.289 -12.754 13.561 414 HH21 ARG 48 HH21 ARG 48 3.863 -11.390 15.674 415 HH22 ARG 48 HH22 ARG 48 4.928 -12.731 15.388 416 H LYS 49 H LYS 49 9.132 -7.253 11.437 417 HA LYS 49 HA LYS 49 9.784 -7.621 14.217 418 HB2 LYS 49 HB2 LYS 49 10.170 -9.283 12.358 419 HB3 LYS 49 HB3 LYS 49 11.426 -8.246 11.712 420 HG2 LYS 49 HG2 LYS 49 11.670 -9.238 14.555 421 HG3 LYS 49 HG3 LYS 49 12.002 -10.347 13.227 422 HD2 LYS 49 HD2 LYS 49 13.740 -8.821 12.366 423 HD3 LYS 49 HD3 LYS 49 13.400 -7.680 13.671 424 HE2 LYS 49 HE2 LYS 49 15.408 -9.049 14.144 425 HE3 LYS 49 HE3 LYS 49 14.134 -9.346 15.330 426 HZ1 LYS 49 HZ1 LYS 49 13.561 -11.371 14.177 427 HZ2 LYS 49 HZ2 LYS 49 15.202 -11.385 14.559 428 HZ3 LYS 49 HZ3 LYS 49 14.708 -11.071 12.977 429 H GLN 50 H GLN 50 10.850 -5.465 11.624 430 HA GLN 50 HA GLN 50 13.114 -4.342 13.063 431 HB2 GLN 50 HB2 GLN 50 11.730 -3.471 10.478 432 HB3 GLN 50 HB3 GLN 50 13.191 -2.727 11.114 433 HG2 GLN 50 HG2 GLN 50 12.925 -5.595 10.180 434 HG3 GLN 50 HG3 GLN 50 13.678 -4.283 9.285 435 HE21 GLN 50 HE21 GLN 50 14.052 -6.560 11.881 436 HE22 GLN 50 HE22 GLN 50 15.732 -6.271 12.162 437 H GLY 51 H GLY 51 9.731 -3.815 13.190 438 HA2 GLY 51 HA2 GLY 51 8.396 -2.165 14.095 439 HA3 GLY 51 HA3 GLY 51 9.840 -1.493 14.840 440 H ARG 52 H ARG 52 9.271 -1.984 11.431 441 HA ARG 52 HA ARG 52 9.445 0.911 10.856 442 HB2 ARG 52 HB2 ARG 52 10.647 -1.523 9.460 443 HB3 ARG 52 HB3 ARG 52 10.432 -0.008 8.589 444 HG2 ARG 52 HG2 ARG 52 12.068 -0.303 11.130 445 HG3 ARG 52 HG3 ARG 52 12.733 -0.318 9.493 446 HD2 ARG 52 HD2 ARG 52 11.882 1.975 9.119 447 HD3 ARG 52 HD3 ARG 52 11.212 1.995 10.755 448 HE ARG 52 HE ARG 52 13.624 1.627 11.478 449 HH11 ARG 52 HH11 ARG 52 12.744 3.507 8.630 450 HH12 ARG 52 HH12 ARG 52 14.155 4.504 8.701 451 HH21 ARG 52 HH21 ARG 52 15.486 2.926 11.530 452 HH22 ARG 52 HH22 ARG 52 15.706 4.171 10.344 453 HA PRO 53 HA PRO 53 5.802 0.188 8.179 454 HB2 PRO 53 HB2 PRO 53 6.101 2.251 6.380 455 HB3 PRO 53 HB3 PRO 53 5.493 2.489 8.029 456 HG2 PRO 53 HG2 PRO 53 8.223 3.008 6.945 457 HG3 PRO 53 HG3 PRO 53 7.274 3.958 8.107 458 HD2 PRO 53 HD2 PRO 53 9.299 2.242 8.843 459 HD3 PRO 53 HD3 PRO 53 7.939 2.667 9.902 460 H ILE 54 H ILE 54 5.362 -0.644 6.106 461 HA ILE 54 HA ILE 54 7.578 -1.042 4.186 462 HB ILE 54 HB ILE 54 7.342 -3.234 5.197 463 HG12 ILE 54 HG12 ILE 54 5.803 -3.168 2.562 464 HG13 ILE 54 HG13 ILE 54 7.545 -3.291 2.747 465 HG21 ILE 54 HG21 ILE 54 5.184 -2.938 6.337 466 HG22 ILE 54 HG22 ILE 54 5.210 -4.454 5.434 467 HG23 ILE 54 HG23 ILE 54 4.338 -3.059 4.793 468 HD11 ILE 54 HD11 ILE 54 5.518 -5.365 3.546 469 HD12 ILE 54 HD12 ILE 54 7.264 -5.495 3.760 470 HD13 ILE 54 HD13 ILE 54 6.580 -5.403 2.141 471 H VAL 55 H VAL 55 6.968 -0.436 2.138 472 HA VAL 55 HA VAL 55 4.102 0.084 1.614 473 HB VAL 55 HB VAL 55 6.519 1.204 0.123 474 HG11 VAL 55 HG11 VAL 55 4.533 1.016 -1.319 475 HG12 VAL 55 HG12 VAL 55 4.873 2.709 -0.954 476 HG13 VAL 55 HG13 VAL 55 3.558 1.876 -0.121 477 HG21 VAL 55 HG21 VAL 55 5.987 3.336 1.239 478 HG22 VAL 55 HG22 VAL 55 6.373 2.084 2.418 479 HG23 VAL 55 HG23 VAL 55 4.693 2.552 2.148 480 H VAL 56 H VAL 56 3.265 -1.643 0.797 481 HA VAL 56 HA VAL 56 4.571 -3.422 -1.112 482 HB VAL 56 HB VAL 56 1.784 -3.504 0.165 483 HG11 VAL 56 HG11 VAL 56 1.810 -4.729 -1.963 484 HG12 VAL 56 HG12 VAL 56 1.672 -5.843 -0.605 485 HG13 VAL 56 HG13 VAL 56 3.217 -5.660 -1.437 486 HG21 VAL 56 HG21 VAL 56 2.710 -5.258 1.635 487 HG22 VAL 56 HG22 VAL 56 3.584 -3.737 1.830 488 HG23 VAL 56 HG23 VAL 56 4.303 -5.055 0.901 489 H PHE 57 H PHE 57 3.965 -3.562 -3.247 490 HA PHE 57 HA PHE 57 1.958 -1.655 -4.290 491 HB2 PHE 57 HB2 PHE 57 4.422 -2.840 -5.657 492 HB3 PHE 57 HB3 PHE 57 3.259 -1.747 -6.420 493 HD1 PHE 57 HD1 PHE 57 2.934 0.585 -5.422 494 HD2 PHE 57 HD2 PHE 57 6.218 -1.926 -4.308 495 HE1 PHE 57 HE1 PHE 57 4.091 2.519 -4.448 496 HE2 PHE 57 HE2 PHE 57 7.373 0.023 -3.348 497 HZ PHE 57 HZ PHE 57 6.307 2.246 -3.411 498 H VAL 58 H VAL 58 0.169 -2.620 -4.658 499 HA VAL 58 HA VAL 58 -0.029 -5.317 -5.890 500 HB VAL 58 HB VAL 58 -2.083 -3.849 -4.131 501 HG11 VAL 58 HG11 VAL 58 -3.185 -5.301 -5.781 502 HG12 VAL 58 HG12 VAL 58 -3.390 -5.939 -4.150 503 HG13 VAL 58 HG13 VAL 58 -2.216 -6.676 -5.246 504 HG21 VAL 58 HG21 VAL 58 -0.196 -4.620 -2.764 505 HG22 VAL 58 HG22 VAL 58 -0.365 -6.253 -3.409 506 HG23 VAL 58 HG23 VAL 58 -1.644 -5.565 -2.403 507 H ARG 59 H ARG 59 -1.587 -5.415 -7.722 508 HA ARG 59 HA ARG 59 -2.016 -2.891 -9.100 509 HB2 ARG 59 HB2 ARG 59 -1.543 -5.045 -10.339 510 HB3 ARG 59 HB3 ARG 59 -3.110 -5.660 -9.825 511 HG2 ARG 59 HG2 ARG 59 -4.242 -3.860 -11.073 512 HG3 ARG 59 HG3 ARG 59 -2.682 -3.197 -11.558 513 HD2 ARG 59 HD2 ARG 59 -2.201 -5.315 -12.796 514 HD3 ARG 59 HD3 ARG 59 -3.805 -5.912 -12.344 515 HE ARG 59 HE ARG 59 -3.924 -3.372 -13.667 516 HH11 ARG 59 HH11 ARG 59 -3.660 -6.827 -14.328 517 HH12 ARG 59 HH12 ARG 59 -4.317 -6.692 -15.926 518 HH21 ARG 59 HH21 ARG 59 -4.764 -3.220 -15.779 519 HH22 ARG 59 HH22 ARG 59 -4.943 -4.649 -16.744 520 H GLY 60 H GLY 60 -4.076 -1.925 -9.521 521 HA2 GLY 60 HA2 GLY 60 -5.951 -1.766 -7.457 522 HA3 GLY 60 HA3 GLY 60 -6.215 -1.221 -9.110 523 H GLY 61 H GLY 61 -6.071 -3.619 -10.498 524 HA2 GLY 61 HA2 GLY 61 -8.538 -5.021 -9.768 525 HA3 GLY 61 HA3 GLY 61 -7.610 -5.205 -11.254 526 H ASP 62 H ASP 62 -6.818 -5.548 -7.786 527 HA ASP 62 HA ASP 62 -6.462 -8.431 -7.949 528 HB2 ASP 62 HB2 ASP 62 -4.283 -7.473 -8.805 529 HB3 ASP 62 HB3 ASP 62 -4.074 -6.668 -7.253 530 H ASP 63 H ASP 63 -8.283 -7.021 -6.732 531 HA ASP 63 HA ASP 63 -7.898 -6.074 -4.109 532 HB2 ASP 63 HB2 ASP 63 -10.450 -7.282 -5.272 533 HB3 ASP 63 HB3 ASP 63 -10.341 -6.130 -3.944 534 H GLU 64 H GLU 64 -8.296 -9.255 -5.392 535 HA GLU 64 HA GLU 64 -9.097 -10.667 -3.083 536 HB2 GLU 64 HB2 GLU 64 -7.661 -11.606 -5.591 537 HB3 GLU 64 HB3 GLU 64 -8.287 -12.698 -4.358 538 HG2 GLU 64 HG2 GLU 64 -9.936 -10.760 -5.995 539 HG3 GLU 64 HG3 GLU 64 -9.806 -12.490 -6.291 540 H ARG 65 H ARG 65 -5.887 -9.720 -4.256 541 HA ARG 65 HA ARG 65 -4.532 -11.148 -2.125 542 HB2 ARG 65 HB2 ARG 65 -3.653 -9.495 -4.447 543 HB3 ARG 65 HB3 ARG 65 -2.646 -9.311 -3.018 544 HG2 ARG 65 HG2 ARG 65 -1.745 -11.005 -4.520 545 HG3 ARG 65 HG3 ARG 65 -2.199 -11.717 -2.975 546 HD2 ARG 65 HD2 ARG 65 -3.971 -11.850 -5.437 547 HD3 ARG 65 HD3 ARG 65 -2.747 -13.063 -5.073 548 HE ARG 65 HE ARG 65 -4.235 -12.935 -2.791 549 HH11 ARG 65 HH11 ARG 65 -5.074 -13.574 -6.169 550 HH12 ARG 65 HH12 ARG 65 -6.424 -14.575 -5.756 551 HH21 ARG 65 HH21 ARG 65 -6.046 -14.177 -2.287 552 HH22 ARG 65 HH22 ARG 65 -6.974 -14.912 -3.552 553 H ALA 66 H ALA 66 -5.620 -7.839 -2.750 554 HA ALA 66 HA ALA 66 -4.416 -6.481 -0.627 555 HB1 ALA 66 HB1 ALA 66 -6.181 -4.797 -0.920 556 HB2 ALA 66 HB2 ALA 66 -7.149 -5.951 -1.841 557 HB3 ALA 66 HB3 ALA 66 -5.608 -5.380 -2.484 558 H LYS 67 H LYS 67 -7.403 -8.398 -0.639 559 HA LYS 67 HA LYS 67 -8.241 -7.777 2.027 560 HB2 LYS 67 HB2 LYS 67 -9.913 -9.503 1.735 561 HB3 LYS 67 HB3 LYS 67 -9.761 -8.636 0.211 562 HG2 LYS 67 HG2 LYS 67 -8.321 -10.464 -0.658 563 HG3 LYS 67 HG3 LYS 67 -8.554 -11.344 0.853 564 HD2 LYS 67 HD2 LYS 67 -11.053 -11.327 0.343 565 HD3 LYS 67 HD3 LYS 67 -10.647 -10.675 -1.254 566 HE2 LYS 67 HE2 LYS 67 -9.327 -12.671 -1.769 567 HE3 LYS 67 HE3 LYS 67 -9.616 -13.318 -0.149 568 HZ1 LYS 67 HZ1 LYS 67 -12.001 -13.358 -0.670 569 HZ2 LYS 67 HZ2 LYS 67 -11.104 -14.323 -1.722 570 HZ3 LYS 67 HZ3 LYS 67 -11.667 -12.822 -2.237 571 H ASP 68 H ASP 68 -6.098 -10.269 0.690 572 HA ASP 68 HA ASP 68 -5.949 -11.915 3.047 573 HB2 ASP 68 HB2 ASP 68 -3.921 -11.708 0.775 574 HB3 ASP 68 HB3 ASP 68 -4.002 -13.000 1.970 575 H ILE 69 H ILE 69 -3.935 -9.471 1.575 576 HA ILE 69 HA ILE 69 -1.671 -9.712 3.258 577 HB ILE 69 HB ILE 69 -2.544 -7.571 1.259 578 HG12 ILE 69 HG12 ILE 69 -0.443 -9.770 0.919 579 HG13 ILE 69 HG13 ILE 69 -2.096 -9.889 0.330 580 HG21 ILE 69 HG21 ILE 69 -0.975 -6.570 2.843 581 HG22 ILE 69 HG22 ILE 69 -0.220 -6.762 1.261 582 HG23 ILE 69 HG23 ILE 69 0.171 -7.884 2.565 583 HD11 ILE 69 HD11 ILE 69 -0.029 -7.879 -0.578 584 HD12 ILE 69 HD12 ILE 69 -1.699 -7.964 -1.146 585 HD13 ILE 69 HD13 ILE 69 -0.592 -9.297 -1.464 586 H ALA 70 H ALA 70 -4.291 -7.283 3.024 587 HA ALA 70 HA ALA 70 -3.338 -5.571 5.094 588 HB1 ALA 70 HB1 ALA 70 -6.132 -5.803 3.934 589 HB2 ALA 70 HB2 ALA 70 -4.833 -4.814 3.283 590 HB3 ALA 70 HB3 ALA 70 -5.499 -4.443 4.870 591 H GLU 71 H GLU 71 -5.557 -8.324 5.029 592 HA GLU 71 HA GLU 71 -6.612 -7.950 7.650 593 HB2 GLU 71 HB2 GLU 71 -7.612 -9.346 5.724 594 HB3 GLU 71 HB3 GLU 71 -6.465 -10.601 6.170 595 HG2 GLU 71 HG2 GLU 71 -8.585 -11.111 7.179 596 HG3 GLU 71 HG3 GLU 71 -7.471 -10.636 8.460 597 H TYR 72 H TYR 72 -3.948 -9.869 6.318 598 HA TYR 72 HA TYR 72 -3.112 -11.158 8.691 599 HB2 TYR 72 HB2 TYR 72 -2.298 -11.906 6.494 600 HB3 TYR 72 HB3 TYR 72 -1.509 -10.358 6.213 601 HD1 TYR 72 HD1 TYR 72 -1.453 -13.306 8.550 602 HD2 TYR 72 HD2 TYR 72 0.794 -10.103 6.828 603 HE1 TYR 72 HE1 TYR 72 0.586 -14.170 9.602 604 HE2 TYR 72 HE2 TYR 72 2.842 -10.976 7.875 605 HH TYR 72 HH TYR 72 3.299 -12.452 10.036 606 H ALA 73 H ALA 73 -2.100 -8.146 7.132 607 HA ALA 73 HA ALA 73 -0.121 -7.281 8.885 608 HB1 ALA 73 HB1 ALA 73 -0.502 -5.055 7.906 609 HB2 ALA 73 HB2 ALA 73 -2.032 -5.612 7.220 610 HB3 ALA 73 HB3 ALA 73 -0.504 -6.309 6.667 611 H GLN 74 H GLN 74 -3.626 -6.604 8.912 612 HA GLN 74 HA GLN 74 -3.761 -4.848 11.096 613 HB2 GLN 74 HB2 GLN 74 -5.651 -5.212 9.549 614 HB3 GLN 74 HB3 GLN 74 -5.825 -6.871 10.115 615 HG2 GLN 74 HG2 GLN 74 -6.320 -5.917 12.420 616 HG3 GLN 74 HG3 GLN 74 -6.378 -4.325 11.671 617 HE21 GLN 74 HE21 GLN 74 -7.696 -5.411 9.228 618 HE22 GLN 74 HE22 GLN 74 -9.328 -5.711 9.683 619 H LYS 75 H LYS 75 -3.999 -8.379 10.942 620 HA LYS 75 HA LYS 75 -4.555 -8.771 13.728 621 HB2 LYS 75 HB2 LYS 75 -3.777 -10.701 11.505 622 HB3 LYS 75 HB3 LYS 75 -4.252 -11.209 13.126 623 HG2 LYS 75 HG2 LYS 75 -6.490 -10.230 12.823 624 HG3 LYS 75 HG3 LYS 75 -6.019 -9.601 11.240 625 HD2 LYS 75 HD2 LYS 75 -7.367 -11.638 10.973 626 HD3 LYS 75 HD3 LYS 75 -5.721 -11.917 10.402 627 HE2 LYS 75 HE2 LYS 75 -5.188 -13.048 12.547 628 HE3 LYS 75 HE3 LYS 75 -6.847 -12.783 13.084 629 HZ1 LYS 75 HZ1 LYS 75 -7.635 -14.166 11.276 630 HZ2 LYS 75 HZ2 LYS 75 -6.530 -15.016 12.218 631 HZ3 LYS 75 HZ3 LYS 75 -6.056 -14.404 10.714 632 H GLU 76 H GLU 76 -1.583 -8.357 11.943 633 HA GLU 76 HA GLU 76 0.136 -9.478 14.033 634 HB2 GLU 76 HB2 GLU 76 0.837 -7.742 11.626 635 HB3 GLU 76 HB3 GLU 76 2.003 -8.553 12.665 636 HG2 GLU 76 HG2 GLU 76 -0.042 -9.934 10.911 637 HG3 GLU 76 HG3 GLU 76 1.659 -9.712 10.517 638 H GLY 77 H GLY 77 -1.729 -6.769 13.913 639 HA2 GLY 77 HA2 GLY 77 -1.834 -4.857 15.182 640 HA3 GLY 77 HA3 GLY 77 -0.377 -5.369 16.027 641 H LEU 78 H LEU 78 -0.802 -4.907 12.579 642 HA LEU 78 HA LEU 78 1.179 -2.703 12.573 643 HB2 LEU 78 HB2 LEU 78 0.366 -4.505 10.243 644 HB3 LEU 78 HB3 LEU 78 1.694 -3.356 10.274 645 HG LEU 78 HG LEU 78 1.564 -5.911 11.928 646 HD11 LEU 78 HD11 LEU 78 3.209 -5.340 9.448 647 HD12 LEU 78 HD12 LEU 78 1.816 -6.420 9.550 648 HD13 LEU 78 HD13 LEU 78 3.287 -6.801 10.441 649 HD21 LEU 78 HD21 LEU 78 3.896 -5.495 12.477 650 HD22 LEU 78 HD22 LEU 78 2.877 -4.167 13.027 651 HD23 LEU 78 HD23 LEU 78 3.861 -3.978 11.573 652 H ARG 79 H ARG 79 0.411 -0.758 12.037 653 HA ARG 79 HA ARG 79 -2.340 -0.242 11.636 654 HB2 ARG 79 HB2 ARG 79 -0.402 1.221 12.691 655 HB3 ARG 79 HB3 ARG 79 -0.139 1.779 11.048 656 HG2 ARG 79 HG2 ARG 79 -2.744 2.048 12.592 657 HG3 ARG 79 HG3 ARG 79 -1.535 3.316 12.429 658 HD2 ARG 79 HD2 ARG 79 -1.897 3.232 9.937 659 HD3 ARG 79 HD3 ARG 79 -3.228 2.106 10.228 660 HE ARG 79 HE ARG 79 -3.765 4.289 11.814 661 HH11 ARG 79 HH11 ARG 79 -3.366 3.721 8.361 662 HH12 ARG 79 HH12 ARG 79 -4.407 5.030 7.918 663 HH21 ARG 79 HH21 ARG 79 -5.074 6.015 11.191 664 HH22 ARG 79 HH22 ARG 79 -5.370 6.324 9.525 665 H VAL 80 H VAL 80 -3.448 -0.455 9.744 666 HA VAL 80 HA VAL 80 -1.972 -0.872 7.246 667 HB VAL 80 HB VAL 80 -4.935 -1.385 7.814 668 HG11 VAL 80 HG11 VAL 80 -3.194 -2.317 5.498 669 HG12 VAL 80 HG12 VAL 80 -4.477 -1.109 5.413 670 HG13 VAL 80 HG13 VAL 80 -4.874 -2.789 5.777 671 HG21 VAL 80 HG21 VAL 80 -3.530 -2.784 9.261 672 HG22 VAL 80 HG22 VAL 80 -2.610 -3.344 7.864 673 HG23 VAL 80 HG23 VAL 80 -4.315 -3.773 8.026 674 H ILE 81 H ILE 81 -1.993 0.467 5.632 675 HA ILE 81 HA ILE 81 -4.007 2.605 5.286 676 HB ILE 81 HB ILE 81 -0.993 2.674 4.688 677 HG12 ILE 81 HG12 ILE 81 -1.222 4.962 5.970 678 HG13 ILE 81 HG13 ILE 81 -2.736 4.304 6.568 679 HG21 ILE 81 HG21 ILE 81 -1.341 4.896 3.637 680 HG22 ILE 81 HG22 ILE 81 -3.084 4.654 3.751 681 HG23 ILE 81 HG23 ILE 81 -2.112 3.585 2.739 682 HD11 ILE 81 HD11 ILE 81 0.009 3.132 6.976 683 HD12 ILE 81 HD12 ILE 81 -1.495 2.436 7.577 684 HD13 ILE 81 HD13 ILE 81 -0.953 4.004 8.168 685 H VAL 82 H VAL 82 -4.926 2.544 3.208 686 HA VAL 82 HA VAL 82 -3.706 0.761 1.156 687 HB VAL 82 HB VAL 82 -6.715 1.065 1.721 688 HG11 VAL 82 HG11 VAL 82 -5.312 -0.642 -0.368 689 HG12 VAL 82 HG12 VAL 82 -6.281 0.801 -0.678 690 HG13 VAL 82 HG13 VAL 82 -7.044 -0.651 -0.028 691 HG21 VAL 82 HG21 VAL 82 -4.942 -1.378 2.145 692 HG22 VAL 82 HG22 VAL 82 -6.693 -1.326 2.366 693 HG23 VAL 82 HG23 VAL 82 -5.644 -0.373 3.417 694 H ILE 83 H ILE 83 -3.018 2.135 -0.437 695 HA ILE 83 HA ILE 83 -4.591 4.581 -1.059 696 HB ILE 83 HB ILE 83 -1.636 4.002 -1.640 697 HG12 ILE 83 HG12 ILE 83 -2.854 5.868 0.451 698 HG13 ILE 83 HG13 ILE 83 -2.186 4.281 0.803 699 HG21 ILE 83 HG21 ILE 83 -1.497 6.408 -2.249 700 HG22 ILE 83 HG22 ILE 83 -3.239 6.567 -2.020 701 HG23 ILE 83 HG23 ILE 83 -2.610 5.534 -3.306 702 HD11 ILE 83 HD11 ILE 83 -0.650 6.016 1.384 703 HD12 ILE 83 HD12 ILE 83 -0.664 6.642 -0.265 704 HD13 ILE 83 HD13 ILE 83 0.004 5.040 0.072 705 H ILE 84 H ILE 84 -5.928 4.076 -2.690 706 HA ILE 84 HA ILE 84 -5.089 2.222 -4.818 707 HB ILE 84 HB ILE 84 -7.848 3.350 -4.125 708 HG12 ILE 84 HG12 ILE 84 -6.642 0.571 -3.719 709 HG13 ILE 84 HG13 ILE 84 -6.893 1.758 -2.450 710 HG21 ILE 84 HG21 ILE 84 -7.691 2.889 -6.550 711 HG22 ILE 84 HG22 ILE 84 -8.746 1.717 -5.761 712 HG23 ILE 84 HG23 ILE 84 -7.104 1.257 -6.210 713 HD11 ILE 84 HD11 ILE 84 -8.569 0.082 -2.348 714 HD12 ILE 84 HD12 ILE 84 -9.020 0.348 -4.032 715 HD13 ILE 84 HD13 ILE 84 -9.308 1.610 -2.827 716 H VAL 85 H VAL 85 -4.081 3.166 -6.418 717 HA VAL 85 HA VAL 85 -4.697 5.858 -7.390 718 HB VAL 85 HB VAL 85 -2.541 3.970 -8.486 719 HG11 VAL 85 HG11 VAL 85 -2.716 7.010 -8.459 720 HG12 VAL 85 HG12 VAL 85 -3.033 5.965 -9.846 721 HG13 VAL 85 HG13 VAL 85 -1.409 6.051 -9.160 722 HG21 VAL 85 HG21 VAL 85 -0.915 4.987 -6.920 723 HG22 VAL 85 HG22 VAL 85 -2.166 4.075 -6.072 724 HG23 VAL 85 HG23 VAL 85 -2.234 5.839 -6.110 725 H SER 86 H SER 86 -6.441 5.839 -8.745 726 HA SER 86 HA SER 86 -6.273 4.232 -11.188 727 HB2 SER 86 HB2 SER 86 -7.822 2.945 -9.738 728 HB3 SER 86 HB3 SER 86 -8.809 4.382 -9.484 729 HG SER 86 HG SER 86 -9.025 2.615 -11.419 730 H GLN 87 H GLN 87 -6.824 5.360 -12.913 731 HA GLN 87 HA GLN 87 -7.274 8.168 -12.894 732 HB2 GLN 87 HB2 GLN 87 -7.513 7.913 -15.372 733 HB3 GLN 87 HB3 GLN 87 -6.079 7.105 -14.747 734 HG2 GLN 87 HG2 GLN 87 -7.117 4.934 -14.930 735 HG3 GLN 87 HG3 GLN 87 -8.681 5.647 -15.317 736 HE21 GLN 87 HE21 GLN 87 -7.101 3.698 -16.837 737 HE22 GLN 87 HE22 GLN 87 -6.864 4.402 -18.396 738 H ASP 88 H ASP 88 -9.402 5.553 -12.544 739 HA ASP 88 HA ASP 88 -11.790 6.987 -13.528 740 HB2 ASP 88 HB2 ASP 88 -11.354 4.747 -14.510 741 HB3 ASP 88 HB3 ASP 88 -11.356 4.026 -12.898 742 H GLU 89 H GLU 89 -13.322 7.613 -12.137 743 HA GLU 89 HA GLU 89 -12.732 7.767 -9.361 744 HB2 GLU 89 HB2 GLU 89 -15.265 8.578 -10.846 745 HB3 GLU 89 HB3 GLU 89 -14.889 8.999 -9.177 746 HG2 GLU 89 HG2 GLU 89 -12.860 10.231 -9.976 747 HG3 GLU 89 HG3 GLU 89 -13.342 9.883 -11.638 748 H GLU 90 H GLU 90 -14.931 5.709 -11.224 749 HA GLU 90 HA GLU 90 -16.534 4.800 -9.047 750 HB2 GLU 90 HB2 GLU 90 -17.194 4.703 -11.461 751 HB3 GLU 90 HB3 GLU 90 -15.997 3.440 -11.729 752 HG2 GLU 90 HG2 GLU 90 -17.209 1.968 -10.158 753 HG3 GLU 90 HG3 GLU 90 -18.398 3.238 -9.881 754 H ALA 91 H ALA 91 -13.539 3.647 -10.522 755 HA ALA 91 HA ALA 91 -13.233 1.242 -9.026 756 HB1 ALA 91 HB1 ALA 91 -10.873 1.345 -9.728 757 HB2 ALA 91 HB2 ALA 91 -11.109 3.005 -10.286 758 HB3 ALA 91 HB3 ALA 91 -11.959 1.675 -11.078 759 H LEU 92 H LEU 92 -12.190 4.590 -8.506 760 HA LEU 92 HA LEU 92 -10.740 4.238 -6.109 761 HB2 LEU 92 HB2 LEU 92 -12.249 6.664 -7.167 762 HB3 LEU 92 HB3 LEU 92 -11.190 6.715 -5.767 763 HG LEU 92 HG LEU 92 -10.322 6.086 -8.619 764 HD11 LEU 92 HD11 LEU 92 -9.141 8.241 -8.537 765 HD12 LEU 92 HD12 LEU 92 -9.818 8.564 -6.938 766 HD13 LEU 92 HD13 LEU 92 -10.882 8.451 -8.342 767 HD21 LEU 92 HD21 LEU 92 -8.637 6.336 -6.112 768 HD22 LEU 92 HD22 LEU 92 -8.030 6.142 -7.759 769 HD23 LEU 92 HD23 LEU 92 -8.964 4.850 -7.011 770 H ARG 93 H ARG 93 -14.188 4.771 -6.735 771 HA ARG 93 HA ARG 93 -14.952 5.336 -4.034 772 HB2 ARG 93 HB2 ARG 93 -16.571 4.595 -6.508 773 HB3 ARG 93 HB3 ARG 93 -17.316 4.955 -4.953 774 HG2 ARG 93 HG2 ARG 93 -16.465 7.225 -4.992 775 HG3 ARG 93 HG3 ARG 93 -15.539 6.901 -6.461 776 HD2 ARG 93 HD2 ARG 93 -17.690 6.476 -7.671 777 HD3 ARG 93 HD3 ARG 93 -18.568 6.911 -6.199 778 HE ARG 93 HE ARG 93 -16.894 9.037 -6.734 779 HH11 ARG 93 HH11 ARG 93 -19.542 7.433 -8.431 780 HH12 ARG 93 HH12 ARG 93 -20.038 8.874 -9.264 781 HH21 ARG 93 HH21 ARG 93 -17.608 10.933 -7.798 782 HH22 ARG 93 HH22 ARG 93 -18.942 10.850 -8.899 783 H LYS 94 H LYS 94 -15.391 2.461 -6.120 784 HA LYS 94 HA LYS 94 -16.588 0.779 -4.206 785 HB2 LYS 94 HB2 LYS 94 -15.092 0.252 -6.792 786 HB3 LYS 94 HB3 LYS 94 -15.562 -1.101 -5.773 787 HG2 LYS 94 HG2 LYS 94 -17.491 0.937 -6.934 788 HG3 LYS 94 HG3 LYS 94 -17.171 -0.667 -7.603 789 HD2 LYS 94 HD2 LYS 94 -17.947 -1.686 -5.449 790 HD3 LYS 94 HD3 LYS 94 -18.358 -0.072 -4.859 791 HE2 LYS 94 HE2 LYS 94 -19.601 -1.508 -7.227 792 HE3 LYS 94 HE3 LYS 94 -20.359 -1.193 -5.665 793 HZ1 LYS 94 HZ1 LYS 94 -20.144 1.200 -6.142 794 HZ2 LYS 94 HZ2 LYS 94 -21.129 0.386 -7.247 795 HZ3 LYS 94 HZ3 LYS 94 -19.558 0.822 -7.684 796 H GLY 95 H GLY 95 -13.198 1.082 -5.227 797 HA2 GLY 95 HA2 GLY 95 -12.052 -0.790 -3.497 798 HA3 GLY 95 HA3 GLY 95 -11.235 0.596 -4.194 799 H TYR 96 H TYR 96 -12.912 2.603 -2.936 800 HA TYR 96 HA TYR 96 -11.340 3.050 -0.639 801 HB2 TYR 96 HB2 TYR 96 -12.292 4.882 -1.983 802 HB3 TYR 96 HB3 TYR 96 -13.920 4.409 -1.521 803 HD1 TYR 96 HD2 TYR 96 -10.666 5.386 0.115 804 HD2 TYR 96 HD1 TYR 96 -14.933 5.677 0.216 805 HE1 TYR 96 HE2 TYR 96 -10.520 6.942 1.987 806 HE2 TYR 96 HE1 TYR 96 -14.777 7.240 2.112 807 HH TYR 96 HH TYR 96 -11.728 8.560 3.151 808 H GLU 97 H GLU 97 -14.878 2.458 -0.852 809 HA GLU 97 HA GLU 97 -15.116 2.200 2.001 810 HB2 GLU 97 HB2 GLU 97 -17.559 1.607 1.470 811 HB3 GLU 97 HB3 GLU 97 -16.991 3.207 1.044 812 HG2 GLU 97 HG2 GLU 97 -18.330 2.577 -0.760 813 HG3 GLU 97 HG3 GLU 97 -16.688 2.316 -1.335 814 H ASP 98 H ASP 98 -14.739 -0.102 -0.617 815 HA ASP 98 HA ASP 98 -15.571 -2.479 0.625 816 HB2 ASP 98 HB2 ASP 98 -14.996 -2.344 -1.779 817 HB3 ASP 98 HB3 ASP 98 -13.301 -2.094 -1.382 818 H LYS 99 H LYS 99 -12.316 -0.985 0.622 819 HA LYS 99 HA LYS 99 -11.236 -2.963 2.459 820 HB2 LYS 99 HB2 LYS 99 -10.085 -0.434 1.220 821 HB3 LYS 99 HB3 LYS 99 -9.232 -1.286 2.501 822 HG2 LYS 99 HG2 LYS 99 -8.338 -1.914 0.320 823 HG3 LYS 99 HG3 LYS 99 -9.096 -3.309 1.092 824 HD2 LYS 99 HD2 LYS 99 -11.111 -2.968 -0.312 825 HD3 LYS 99 HD3 LYS 99 -10.336 -1.587 -1.085 826 HE2 LYS 99 HE2 LYS 99 -8.717 -2.982 -2.161 827 HE3 LYS 99 HE3 LYS 99 -9.164 -4.380 -1.169 828 HZ1 LYS 99 HZ1 LYS 99 -11.280 -4.486 -2.231 829 HZ2 LYS 99 HZ2 LYS 99 -10.106 -4.430 -3.436 830 HZ3 LYS 99 HZ3 LYS 99 -11.010 -3.048 -3.075 831 H LYS 100 H LYS 100 -12.582 0.277 2.645 832 HA LYS 100 HA LYS 100 -11.573 0.984 5.204 833 HB2 LYS 100 HB2 LYS 100 -12.269 2.611 3.480 834 HB3 LYS 100 HB3 LYS 100 -13.945 2.118 3.684 835 HG2 LYS 100 HG2 LYS 100 -13.958 3.003 5.962 836 HG3 LYS 100 HG3 LYS 100 -12.243 3.408 5.839 837 HD2 LYS 100 HD2 LYS 100 -12.695 5.054 4.104 838 HD3 LYS 100 HD3 LYS 100 -14.393 4.576 4.024 839 HE2 LYS 100 HE2 LYS 100 -13.060 5.808 6.457 840 HE3 LYS 100 HE3 LYS 100 -14.037 6.690 5.283 841 HZ1 LYS 100 HZ1 LYS 100 -15.920 5.260 5.857 842 HZ2 LYS 100 HZ2 LYS 100 -15.342 6.099 7.200 843 HZ3 LYS 100 HZ3 LYS 100 -14.974 4.462 7.011 844 H LYS 101 H LYS 101 -14.471 -0.767 4.212 845 HA LYS 101 HA LYS 101 -15.863 -0.584 6.711 846 HB2 LYS 101 HB2 LYS 101 -17.281 -2.425 5.905 847 HB3 LYS 101 HB3 LYS 101 -17.080 -1.185 4.677 848 HG2 LYS 101 HG2 LYS 101 -15.576 -2.563 3.397 849 HG3 LYS 101 HG3 LYS 101 -15.464 -3.749 4.701 850 HD2 LYS 101 HD2 LYS 101 -16.925 -4.499 2.821 851 HD3 LYS 101 HD3 LYS 101 -17.772 -4.429 4.370 852 HE2 LYS 101 HE2 LYS 101 -19.151 -3.553 2.518 853 HE3 LYS 101 HE3 LYS 101 -18.820 -2.307 3.721 854 HZ1 LYS 101 HZ1 LYS 101 -18.569 -1.490 1.447 855 HZ2 LYS 101 HZ2 LYS 101 -17.356 -2.626 1.151 856 HZ3 LYS 101 HZ3 LYS 101 -17.110 -1.406 2.291 857 H LYS 102 H LYS 102 -13.120 -2.391 5.752 858 HA LYS 102 HA LYS 102 -13.323 -4.373 7.908 859 HB2 LYS 102 HB2 LYS 102 -11.236 -3.809 5.768 860 HB3 LYS 102 HB3 LYS 102 -11.002 -5.017 7.028 861 HG2 LYS 102 HG2 LYS 102 -12.985 -6.254 6.218 862 HG3 LYS 102 HG3 LYS 102 -13.207 -5.054 4.937 863 HD2 LYS 102 HD2 LYS 102 -11.251 -5.718 3.789 864 HD3 LYS 102 HD3 LYS 102 -10.551 -6.495 5.210 865 HE2 LYS 102 HE2 LYS 102 -12.946 -7.524 3.671 866 HE3 LYS 102 HE3 LYS 102 -11.290 -8.114 3.508 867 HZ1 LYS 102 HZ1 LYS 102 -11.324 -8.773 5.832 868 HZ2 LYS 102 HZ2 LYS 102 -12.588 -9.508 4.984 869 HZ3 LYS 102 HZ3 LYS 102 -12.909 -8.199 6.001 870 H GLY 103 H GLY 103 -12.566 -1.173 7.844 871 HA2 GLY 103 HA2 GLY 103 -11.787 0.103 9.636 872 HA3 GLY 103 HA3 GLY 103 -11.002 -1.313 10.312 873 H TYR 104 H TYR 104 -10.380 -0.813 6.965 874 HA TYR 104 HA TYR 104 -7.619 -0.011 7.519 875 HB2 TYR 104 HB2 TYR 104 -8.886 -0.553 4.794 876 HB3 TYR 104 HB3 TYR 104 -7.165 -0.480 5.170 877 HD1 TYR 104 HD2 TYR 104 -7.310 -2.220 7.761 878 HD2 TYR 104 HD1 TYR 104 -8.918 -2.775 3.836 879 HE1 TYR 104 HE2 TYR 104 -7.313 -4.647 8.091 880 HE2 TYR 104 HE1 TYR 104 -8.916 -5.188 4.180 881 HH TYR 104 HH TYR 104 -8.506 -6.622 7.218 882 H ASP 105 H ASP 105 -6.940 2.079 7.340 883 HA ASP 105 HA ASP 105 -8.742 4.163 6.468 884 HB2 ASP 105 HB2 ASP 105 -7.057 4.408 8.343 885 HB3 ASP 105 HB3 ASP 105 -5.785 4.399 7.132 886 H VAL 106 H VAL 106 -9.125 4.296 4.345 887 HA VAL 106 HA VAL 106 -7.065 3.611 2.364 888 HB VAL 106 HB VAL 106 -10.071 3.958 1.904 889 HG11 VAL 106 HG11 VAL 106 -8.708 4.157 -0.148 890 HG12 VAL 106 HG12 VAL 106 -9.671 2.679 -0.178 891 HG13 VAL 106 HG13 VAL 106 -7.947 2.600 0.194 892 HG21 VAL 106 HG21 VAL 106 -9.714 2.154 3.523 893 HG22 VAL 106 HG22 VAL 106 -8.548 1.389 2.442 894 HG23 VAL 106 HG23 VAL 106 -10.248 1.494 1.973 895 H TYR 107 H TYR 107 -6.530 5.043 0.759 896 HA TYR 107 HA TYR 107 -7.690 7.761 0.707 897 HB2 TYR 107 HB2 TYR 107 -4.749 7.021 0.234 898 HB3 TYR 107 HB3 TYR 107 -5.439 8.641 0.198 899 HD1 TYR 107 HD1 TYR 107 -6.603 9.438 2.462 900 HD2 TYR 107 HD2 TYR 107 -3.713 6.298 2.231 901 HE1 TYR 107 HE1 TYR 107 -6.128 9.693 4.857 902 HE2 TYR 107 HE2 TYR 107 -3.240 6.560 4.627 903 HH TYR 107 HH TYR 107 -5.215 8.142 6.721 904 H THR 108 H THR 108 -8.005 8.518 -1.384 905 HA THR 108 HA THR 108 -7.643 6.578 -3.589 906 HB THR 108 HB THR 108 -9.516 7.796 -4.718 907 HG1 THR 108 HG1 THR 108 -10.015 9.704 -3.960 908 HG21 THR 108 HG21 THR 108 -10.030 5.785 -3.347 909 HG22 THR 108 HG22 THR 108 -11.352 6.956 -3.306 910 HG23 THR 108 HG23 THR 108 -10.256 6.820 -1.931 911 H SER 109 H SER 109 -6.929 7.377 -5.594 912 HA SER 109 HA SER 109 -5.850 10.079 -5.805 913 HB2 SER 109 HB2 SER 109 -3.550 9.026 -6.451 914 HB3 SER 109 HB3 SER 109 -3.956 9.124 -4.740 915 HG SER 109 HG SER 109 -4.885 6.822 -5.607 916 H ARG 110 H ARG 110 -5.884 10.780 -7.881 917 HA ARG 110 HA ARG 110 -6.914 8.962 -9.920 918 HB2 ARG 110 HB2 ARG 110 -6.347 11.957 -10.077 919 HB3 ARG 110 HB3 ARG 110 -7.000 11.001 -11.401 920 HG2 ARG 110 HG2 ARG 110 -8.857 12.113 -10.444 921 HG3 ARG 110 HG3 ARG 110 -8.975 10.444 -9.878 922 HD2 ARG 110 HD2 ARG 110 -9.487 12.028 -8.080 923 HD3 ARG 110 HD3 ARG 110 -8.007 11.138 -7.702 924 HE ARG 110 HE ARG 110 -6.903 13.273 -8.772 925 HH11 ARG 110 HH11 ARG 110 -9.663 13.217 -6.570 926 HH12 ARG 110 HH12 ARG 110 -9.337 14.800 -5.936 927 HH21 ARG 110 HH21 ARG 110 -6.525 15.362 -7.978 928 HH22 ARG 110 HH22 ARG 110 -7.546 16.018 -6.738 929 H ASN 111 H ASN 111 -3.876 10.481 -9.016 930 HA ASN 111 HA ASN 111 -2.469 8.836 -10.979 931 HB2 ASN 111 HB2 ASN 111 -1.352 10.583 -12.199 932 HB3 ASN 111 HB3 ASN 111 -3.071 10.957 -12.248 933 HD21 ASN 111 HD21 ASN 111 -3.832 12.770 -11.089 934 HD22 ASN 111 HD22 ASN 111 -2.766 13.994 -10.491 935 H GLU 112 H GLU 112 0.005 9.726 -10.882 936 HA GLU 112 HA GLU 112 1.044 8.608 -8.603 937 HB2 GLU 112 HB2 GLU 112 2.247 8.859 -10.776 938 HB3 GLU 112 HB3 GLU 112 2.421 10.584 -10.470 939 HG2 GLU 112 HG2 GLU 112 3.725 9.964 -8.366 940 HG3 GLU 112 HG3 GLU 112 3.722 8.298 -8.948 941 H ASP 113 H ASP 113 0.498 12.069 -9.253 942 HA ASP 113 HA ASP 113 1.999 13.158 -7.140 943 HB2 ASP 113 HB2 ASP 113 -0.348 14.191 -8.766 944 HB3 ASP 113 HB3 ASP 113 0.239 15.140 -7.404 945 H GLU 114 H GLU 114 -1.531 12.488 -7.237 946 HA GLU 114 HA GLU 114 -2.064 13.198 -4.567 947 HB2 GLU 114 HB2 GLU 114 -3.541 11.249 -6.362 948 HB3 GLU 114 HB3 GLU 114 -4.120 11.746 -4.790 949 HG2 GLU 114 HG2 GLU 114 -5.316 13.166 -6.140 950 HG3 GLU 114 HG3 GLU 114 -3.920 14.173 -5.761 951 H ALA 115 H ALA 115 -1.273 10.101 -6.047 952 HA ALA 115 HA ALA 115 -1.525 8.366 -3.871 953 HB1 ALA 115 HB1 ALA 115 -0.055 6.861 -5.151 954 HB2 ALA 115 HB2 ALA 115 0.413 8.201 -6.206 955 HB3 ALA 115 HB3 ALA 115 -1.254 7.616 -6.197 956 H LYS 116 H LYS 116 1.177 10.294 -4.992 957 HA LYS 116 HA LYS 116 3.219 9.274 -3.304 958 HB2 LYS 116 HB2 LYS 116 3.637 10.393 -5.463 959 HB3 LYS 116 HB3 LYS 116 2.986 11.905 -4.838 960 HG2 LYS 116 HG2 LYS 116 4.854 12.104 -3.273 961 HG3 LYS 116 HG3 LYS 116 5.492 10.537 -3.777 962 HD2 LYS 116 HD2 LYS 116 5.225 13.012 -5.533 963 HD3 LYS 116 HD3 LYS 116 6.727 12.381 -4.862 964 HE2 LYS 116 HE2 LYS 116 6.435 10.306 -6.197 965 HE3 LYS 116 HE3 LYS 116 4.955 10.976 -6.897 966 HZ1 LYS 116 HZ1 LYS 116 6.768 11.316 -8.400 967 HZ2 LYS 116 HZ2 LYS 116 7.714 12.042 -7.205 968 HZ3 LYS 116 HZ3 LYS 116 6.325 12.821 -7.773 969 H LYS 117 H LYS 117 1.052 12.105 -3.112 970 HA LYS 117 HA LYS 117 2.198 13.291 -0.813 971 HB2 LYS 117 HB2 LYS 117 0.578 14.263 -2.625 972 HB3 LYS 117 HB3 LYS 117 -0.718 13.579 -1.659 973 HG2 LYS 117 HG2 LYS 117 1.313 15.516 -0.527 974 HG3 LYS 117 HG3 LYS 117 -0.161 16.050 -1.324 975 HD2 LYS 117 HD2 LYS 117 -1.531 14.923 0.382 976 HD3 LYS 117 HD3 LYS 117 -0.077 14.274 1.149 977 HE2 LYS 117 HE2 LYS 117 -0.733 17.232 0.914 978 HE3 LYS 117 HE3 LYS 117 -1.003 16.242 2.349 979 HZ1 LYS 117 HZ1 LYS 117 1.644 16.745 1.099 980 HZ2 LYS 117 HZ2 LYS 117 1.358 15.849 2.505 981 HZ3 LYS 117 HZ3 LYS 117 1.053 17.505 2.486 982 H LYS 118 H LYS 118 -0.510 11.009 -1.304 983 HA LYS 118 HA LYS 118 -1.361 10.789 1.399 984 HB2 LYS 118 HB2 LYS 118 -1.606 8.734 -0.848 985 HB3 LYS 118 HB3 LYS 118 -2.512 8.701 0.661 986 HG2 LYS 118 HG2 LYS 118 -2.727 10.803 -1.507 987 HG3 LYS 118 HG3 LYS 118 -3.890 9.516 -1.179 988 HD2 LYS 118 HD2 LYS 118 -4.359 10.498 1.039 989 HD3 LYS 118 HD3 LYS 118 -3.169 11.767 0.738 990 HE2 LYS 118 HE2 LYS 118 -4.530 12.575 -1.166 991 HE3 LYS 118 HE3 LYS 118 -5.729 11.319 -0.832 992 HZ1 LYS 118 HZ1 LYS 118 -4.925 13.440 1.086 993 HZ2 LYS 118 HZ2 LYS 118 -6.150 12.299 1.307 994 HZ3 LYS 118 HZ3 LYS 118 -6.308 13.490 0.122 995 H LEU 119 H LEU 119 0.994 9.058 -0.542 996 HA LEU 119 HA LEU 119 1.542 6.891 1.181 997 HB2 LEU 119 HB2 LEU 119 2.103 7.401 -1.397 998 HB3 LEU 119 HB3 LEU 119 3.631 7.938 -0.735 999 HG LEU 119 HG LEU 119 2.469 5.147 -0.355 1000 HD11 LEU 119 HD11 LEU 119 4.630 6.059 -2.280 1001 HD12 LEU 119 HD12 LEU 119 3.001 5.521 -2.700 1002 HD13 LEU 119 HD13 LEU 119 4.140 4.387 -1.981 1003 HD21 LEU 119 HD21 LEU 119 4.711 4.532 0.431 1004 HD22 LEU 119 HD22 LEU 119 3.971 5.752 1.461 1005 HD23 LEU 119 HD23 LEU 119 5.223 6.218 0.309 1006 H LYS 120 H LYS 120 3.159 10.005 0.637 1007 HA LYS 120 HA LYS 120 5.199 9.590 2.570 1008 HB2 LYS 120 HB2 LYS 120 4.250 12.109 1.160 1009 HB3 LYS 120 HB3 LYS 120 5.594 12.096 2.305 1010 HG2 LYS 120 HG2 LYS 120 6.674 10.302 0.855 1011 HG3 LYS 120 HG3 LYS 120 5.431 10.646 -0.355 1012 HD2 LYS 120 HD2 LYS 120 6.205 12.957 -0.551 1013 HD3 LYS 120 HD3 LYS 120 7.353 12.719 0.773 1014 HE2 LYS 120 HE2 LYS 120 8.507 10.982 -0.607 1015 HE3 LYS 120 HE3 LYS 120 7.421 11.373 -1.943 1016 HZ1 LYS 120 HZ1 LYS 120 8.289 13.654 -1.882 1017 HZ2 LYS 120 HZ2 LYS 120 9.496 12.518 -2.198 1018 HZ3 LYS 120 HZ3 LYS 120 9.369 13.213 -0.662 1019 H GLU 121 H GLU 121 1.992 11.133 2.716 1020 HA GLU 121 HA GLU 121 2.195 12.232 5.314 1021 HB2 GLU 121 HB2 GLU 121 -0.196 11.249 3.705 1022 HB3 GLU 121 HB3 GLU 121 -0.404 11.843 5.348 1023 HG2 GLU 121 HG2 GLU 121 0.819 13.439 3.088 1024 HG3 GLU 121 HG3 GLU 121 -0.868 13.537 3.587 1025 H ALA 122 H ALA 122 1.206 9.010 4.230 1026 HA ALA 122 HA ALA 122 0.564 7.919 6.776 1027 HB1 ALA 122 HB1 ALA 122 -0.246 6.947 4.672 1028 HB2 ALA 122 HB2 ALA 122 0.640 5.744 5.613 1029 HB3 ALA 122 HB3 ALA 122 1.402 6.514 4.219 1030 H LEU 123 H LEU 123 3.565 8.203 4.953 1031 HA LEU 123 HA LEU 123 5.186 6.606 6.717 1032 HB2 LEU 123 HB2 LEU 123 5.820 8.555 4.479 1033 HB3 LEU 123 HB3 LEU 123 7.091 7.794 5.420 1034 HG LEU 123 HG LEU 123 5.035 6.285 3.751 1035 HD11 LEU 123 HD11 LEU 123 7.959 6.812 3.138 1036 HD12 LEU 123 HD12 LEU 123 6.577 7.545 2.320 1037 HD13 LEU 123 HD13 LEU 123 6.857 5.810 2.188 1038 HD21 LEU 123 HD21 LEU 123 6.446 4.307 4.145 1039 HD22 LEU 123 HD22 LEU 123 5.807 4.954 5.655 1040 HD23 LEU 123 HD23 LEU 123 7.490 5.253 5.210 1041 H GLU 124 H GLU 124 4.466 10.074 6.456 1042 HA GLU 124 HA GLU 124 6.424 11.075 8.283 1043 HB2 GLU 124 HB2 GLU 124 3.752 12.170 7.289 1044 HB3 GLU 124 HB3 GLU 124 4.766 13.071 8.407 1045 HG2 GLU 124 HG2 GLU 124 6.519 13.268 6.792 1046 HG3 GLU 124 HG3 GLU 124 5.730 12.152 5.689 1047 H LYS 125 H LYS 125 3.018 10.126 8.598 1048 HA LYS 125 HA LYS 125 2.766 10.757 11.385 1049 HB2 LYS 125 HB2 LYS 125 0.941 9.164 9.536 1050 HB3 LYS 125 HB3 LYS 125 0.520 9.645 11.172 1051 HG2 LYS 125 HG2 LYS 125 1.000 11.486 8.807 1052 HG3 LYS 125 HG3 LYS 125 -0.543 11.144 9.590 1053 HD2 LYS 125 HD2 LYS 125 0.296 12.229 11.673 1054 HD3 LYS 125 HD3 LYS 125 1.816 12.598 10.855 1055 HE2 LYS 125 HE2 LYS 125 -0.926 13.652 10.078 1056 HE3 LYS 125 HE3 LYS 125 0.341 14.557 10.906 1057 HZ1 LYS 125 HZ1 LYS 125 0.400 15.125 8.628 1058 HZ2 LYS 125 HZ2 LYS 125 0.403 13.511 8.139 1059 HZ3 LYS 125 HZ3 LYS 125 1.745 14.153 8.921 1060 H SER 126 H SER 126 3.696 7.866 9.577 1061 HA SER 126 HA SER 126 3.539 6.068 11.828 1062 HB2 SER 126 HB2 SER 126 4.838 4.481 10.419 1063 HB3 SER 126 HB3 SER 126 3.439 5.128 9.571 1064 HG SER 126 HG SER 126 4.734 5.809 8.112 1065 H GLY 127 H GLY 127 5.719 8.513 10.902 1066 HA2 GLY 127 HA2 GLY 127 7.126 9.455 12.557 1067 HA3 GLY 127 HA3 GLY 127 7.373 7.863 13.253 1068 H SER 128 H SER 128 7.671 7.850 9.800 1069 HA SER 128 HA SER 128 10.539 7.547 9.950 1070 HB2 SER 128 HB2 SER 128 10.507 7.262 7.526 1071 HB3 SER 128 HB3 SER 128 9.185 6.333 8.220 1072 HG SER 128 HG SER 128 7.862 7.454 7.078 1073 H LEU 129 H LEU 129 8.290 10.109 8.921 1074 HA LEU 129 HA LEU 129 10.518 12.069 9.058 1075 HB2 LEU 129 HB2 LEU 129 7.837 12.338 7.651 1076 HB3 LEU 129 HB3 LEU 129 8.999 13.639 7.826 1077 HG LEU 129 HG LEU 129 9.179 11.177 6.080 1078 HD11 LEU 129 HD11 LEU 129 9.616 12.798 4.298 1079 HD12 LEU 129 HD12 LEU 129 9.529 14.127 5.456 1080 HD13 LEU 129 HD13 LEU 129 8.096 13.151 5.120 1081 HD21 LEU 129 HD21 LEU 129 11.513 12.955 6.825 1082 HD22 LEU 129 HD22 LEU 129 11.508 11.748 5.534 1083 HD23 LEU 129 HD23 LEU 129 11.311 11.244 7.209 1084 H GLU 130 H GLU 130 9.465 14.342 9.627 1085 HA GLU 130 HA GLU 130 8.478 14.220 12.328 1086 HB2 GLU 130 HB2 GLU 130 8.821 16.616 10.473 1087 HB3 GLU 130 HB3 GLU 130 8.590 16.692 12.220 1088 HG2 GLU 130 HG2 GLU 130 10.736 15.565 12.578 1089 HG3 GLU 130 HG3 GLU 130 10.969 15.405 10.840 1090 H HIS 131 H HIS 131 6.563 15.540 12.999 1091 HA HIS 131 HA HIS 131 4.263 15.179 11.201 1092 HB2 HIS 131 HB2 HIS 131 4.386 15.790 14.188 1093 HB3 HIS 131 HB3 HIS 131 2.900 15.554 13.262 1094 HD2 HIS 131 HD2 HIS 131 3.819 12.869 11.606 1095 HE1 HIS 131 HE1 HIS 131 4.333 11.225 15.465 1096 HE2 HIS 131 HE2 HIS 131 4.269 10.725 12.987 1097 H HIS 132 H HIS 132 4.002 16.841 9.869 1098 HA HIS 132 HA HIS 132 5.124 19.413 10.254 1099 HB2 HIS 132 HB2 HIS 132 4.132 20.005 8.103 1100 HB3 HIS 132 HB3 HIS 132 4.811 18.389 8.000 1101 HD2 HIS 132 HD2 HIS 132 2.975 16.355 7.465 1102 HE1 HIS 132 HE1 HIS 132 -0.362 18.910 7.063 1103 HE2 HIS 132 HE2 HIS 132 0.581 16.622 6.534 1104 H HIS 133 H HIS 133 4.276 21.240 11.055 1105 HA HIS 133 HA HIS 133 1.520 21.296 12.105 1106 HB2 HIS 133 HB2 HIS 133 2.225 23.243 13.411 1107 HB3 HIS 133 HB3 HIS 133 3.370 21.931 13.653 1108 HD1 HIS 133 HD1 HIS 133 3.447 25.398 13.397 1109 HD2 HIS 133 HD2 HIS 133 5.648 22.415 11.521 1110 HE1 HIS 133 HE1 HIS 133 5.577 26.487 12.658 1111 HE2 HIS 133 HE2 HIS 133 6.909 24.661 11.570 1112 H HIS 134 H HIS 134 0.003 22.777 11.435 1113 HA HIS 134 HA HIS 134 -1.169 24.148 10.089 1114 HB2 HIS 134 HB2 HIS 134 1.572 25.424 9.749 1115 HB3 HIS 134 HB3 HIS 134 0.151 26.072 8.939 1116 HD1 HIS 134 HD1 HIS 134 0.515 24.890 12.554 1117 HD2 HIS 134 HD2 HIS 134 -0.457 28.297 10.396 1118 HE1 HIS 134 HE1 HIS 134 -0.170 26.591 14.258 1119 HE2 HIS 134 HE2 HIS 134 -0.459 28.704 12.944 1120 H HIS 135 H HIS 135 -1.002 25.176 7.635 1121 HA HIS 135 HA HIS 135 -1.187 24.790 5.422 1122 HB2 HIS 135 HB2 HIS 135 0.878 22.577 5.814 1123 HB3 HIS 135 HB3 HIS 135 0.353 23.183 4.249 1124 HD1 HIS 135 HD1 HIS 135 1.620 25.151 3.334 1125 HD2 HIS 135 HD2 HIS 135 2.423 24.508 7.356 1126 HE1 HIS 135 HE1 HIS 135 3.495 26.705 3.906 1127 HE2 HIS 135 HE2 HIS 135 3.958 26.309 6.341 1128 H HIS 136 H HIS 136 -1.647 22.773 3.785 1129 HA HIS 136 HA HIS 136 -3.832 21.221 4.971 1130 HB2 HIS 136 HB2 HIS 136 -4.141 22.424 2.787 1131 HB3 HIS 136 HB3 HIS 136 -2.916 21.390 2.059 1132 HD1 HIS 136 HD1 HIS 136 -3.570 18.799 1.840 1133 HD2 HIS 136 HD2 HIS 136 -6.700 21.326 2.883 1134 HE1 HIS 136 HE1 HIS 136 -5.659 17.464 1.473 1135 HE2 HIS 136 HE2 HIS 136 -7.537 19.046 1.996 Start of MODEL 14 1 H1 MET 1 H1 MET 1 3.881 -4.224 15.701 2 H2 MET 1 H2 MET 1 2.466 -3.558 15.073 3 H3 MET 1 H3 MET 1 2.698 -3.621 16.739 4 HA MET 1 HA MET 1 3.024 -1.406 15.890 5 HB2 MET 1 HB2 MET 1 5.605 -2.691 16.879 6 HB3 MET 1 HB3 MET 1 5.221 -0.972 16.959 7 HG2 MET 1 HG2 MET 1 3.873 -3.222 18.470 8 HG3 MET 1 HG3 MET 1 4.873 -1.929 19.139 9 HE1 MET 1 HE1 MET 1 1.158 -1.234 20.443 10 HE2 MET 1 HE2 MET 1 2.811 -1.579 20.953 11 HE3 MET 1 HE3 MET 1 1.865 -2.819 20.126 12 H GLY 2 H GLY 2 3.137 -0.595 13.931 13 HA2 GLY 2 HA2 GLY 2 5.173 -0.092 12.256 14 HA3 GLY 2 HA3 GLY 2 4.741 -1.743 11.798 15 H VAL 3 H VAL 3 4.397 -0.178 9.765 16 HA VAL 3 HA VAL 3 1.476 0.218 9.536 17 HB VAL 3 HB VAL 3 3.563 2.294 8.656 18 HG11 VAL 3 HG11 VAL 3 1.697 3.637 7.789 19 HG12 VAL 3 HG12 VAL 3 0.562 2.341 8.176 20 HG13 VAL 3 HG13 VAL 3 1.803 2.090 6.945 21 HG21 VAL 3 HG21 VAL 3 1.284 2.561 10.657 22 HG22 VAL 3 HG22 VAL 3 2.390 3.851 10.167 23 HG23 VAL 3 HG23 VAL 3 3.003 2.454 11.051 24 H VAL 4 H VAL 4 0.739 -0.825 7.714 25 HA VAL 4 HA VAL 4 2.696 -1.472 5.571 26 HB VAL 4 HB VAL 4 0.154 -3.027 6.284 27 HG11 VAL 4 HG11 VAL 4 0.772 -3.247 3.922 28 HG12 VAL 4 HG12 VAL 4 1.044 -4.762 4.780 29 HG13 VAL 4 HG13 VAL 4 2.414 -3.725 4.370 30 HG21 VAL 4 HG21 VAL 4 1.634 -4.768 7.206 31 HG22 VAL 4 HG22 VAL 4 1.807 -3.249 8.085 32 HG23 VAL 4 HG23 VAL 4 3.040 -3.739 6.922 33 H ILE 5 H ILE 5 2.380 -0.202 3.846 34 HA ILE 5 HA ILE 5 -0.252 1.010 3.311 35 HB ILE 5 HB ILE 5 2.432 1.785 2.046 36 HG12 ILE 5 HG12 ILE 5 2.146 3.901 3.612 37 HG13 ILE 5 HG13 ILE 5 1.153 2.839 4.600 38 HG21 ILE 5 HG21 ILE 5 -0.243 3.231 2.129 39 HG22 ILE 5 HG22 ILE 5 0.481 2.438 0.727 40 HG23 ILE 5 HG23 ILE 5 1.241 3.867 1.423 41 HD11 ILE 5 HD11 ILE 5 3.434 2.983 5.432 42 HD12 ILE 5 HD12 ILE 5 4.060 2.402 3.889 43 HD13 ILE 5 HD13 ILE 5 3.076 1.339 4.900 44 H LEU 6 H LEU 6 -1.402 -0.222 1.881 45 HA LEU 6 HA LEU 6 -0.083 -1.779 -0.222 46 HB2 LEU 6 HB2 LEU 6 -3.028 -1.768 0.515 47 HB3 LEU 6 HB3 LEU 6 -2.172 -2.988 -0.404 48 HG LEU 6 HG LEU 6 -1.852 -2.416 2.562 49 HD11 LEU 6 HD11 LEU 6 -2.865 -4.621 2.882 50 HD12 LEU 6 HD12 LEU 6 -3.148 -4.755 1.143 51 HD13 LEU 6 HD13 LEU 6 -3.958 -3.495 2.083 52 HD21 LEU 6 HD21 LEU 6 0.263 -3.130 1.634 53 HD22 LEU 6 HD22 LEU 6 -0.507 -4.517 0.857 54 HD23 LEU 6 HD23 LEU 6 -0.435 -4.415 2.619 55 H VAL 7 H VAL 7 0.324 -0.418 -1.927 56 HA VAL 7 HA VAL 7 -1.676 1.582 -2.705 57 HB VAL 7 HB VAL 7 1.135 1.139 -3.843 58 HG11 VAL 7 HG11 VAL 7 -0.772 3.491 -4.180 59 HG12 VAL 7 HG12 VAL 7 -0.390 2.289 -5.413 60 HG13 VAL 7 HG13 VAL 7 0.866 3.375 -4.829 61 HG21 VAL 7 HG21 VAL 7 0.198 3.183 -1.787 62 HG22 VAL 7 HG22 VAL 7 1.810 3.100 -2.507 63 HG23 VAL 7 HG23 VAL 7 1.241 1.792 -1.471 64 H LEU 8 H LEU 8 -3.290 0.695 -3.847 65 HA LEU 8 HA LEU 8 -2.880 -1.436 -5.807 66 HB2 LEU 8 HB2 LEU 8 -5.345 -0.086 -4.638 67 HB3 LEU 8 HB3 LEU 8 -5.467 -1.101 -6.064 68 HG LEU 8 HG LEU 8 -4.533 -3.024 -4.715 69 HD11 LEU 8 HD11 LEU 8 -4.876 -1.176 -2.350 70 HD12 LEU 8 HD12 LEU 8 -3.356 -1.820 -2.975 71 HD13 LEU 8 HD13 LEU 8 -4.548 -2.911 -2.272 72 HD21 LEU 8 HD21 LEU 8 -6.940 -2.814 -5.103 73 HD22 LEU 8 HD22 LEU 8 -7.107 -1.819 -3.653 74 HD23 LEU 8 HD23 LEU 8 -6.611 -3.509 -3.518 75 H THR 9 H THR 9 -2.009 -0.686 -7.666 76 HA THR 9 HA THR 9 -2.828 1.953 -8.743 77 HB THR 9 HB THR 9 -0.709 1.724 -10.129 78 HG1 THR 9 HG1 THR 9 0.501 -0.035 -9.984 79 HG21 THR 9 HG21 THR 9 -0.255 1.529 -7.126 80 HG22 THR 9 HG22 THR 9 -0.624 3.005 -8.018 81 HG23 THR 9 HG23 THR 9 0.897 2.163 -8.308 82 H GLY 10 H GLY 10 -3.851 2.068 -10.680 83 HA2 GLY 10 HA2 GLY 10 -4.673 -0.310 -12.138 84 HA3 GLY 10 HA3 GLY 10 -5.096 1.361 -12.488 85 H ASP 11 H ASP 11 -1.767 1.020 -12.068 86 HA ASP 11 HA ASP 11 -1.048 0.261 -14.758 87 HB2 ASP 11 HB2 ASP 11 -1.575 2.640 -15.080 88 HB3 ASP 11 HB3 ASP 11 -0.571 3.090 -13.711 89 H GLU 12 H GLU 12 0.990 -0.562 -14.826 90 HA GLU 12 HA GLU 12 2.116 -1.409 -12.355 91 HB2 GLU 12 HB2 GLU 12 2.089 -2.811 -14.399 92 HB3 GLU 12 HB3 GLU 12 3.186 -1.693 -15.197 93 HG2 GLU 12 HG2 GLU 12 4.355 -3.700 -14.435 94 HG3 GLU 12 HG3 GLU 12 4.960 -2.258 -13.622 95 H ARG 13 H ARG 13 3.079 1.049 -14.751 96 HA ARG 13 HA ARG 13 5.714 1.451 -13.783 97 HB2 ARG 13 HB2 ARG 13 4.965 2.191 -16.043 98 HB3 ARG 13 HB3 ARG 13 3.970 3.435 -15.292 99 HG2 ARG 13 HG2 ARG 13 6.163 4.316 -14.242 100 HG3 ARG 13 HG3 ARG 13 6.995 3.251 -15.380 101 HD2 ARG 13 HD2 ARG 13 6.847 5.538 -16.257 102 HD3 ARG 13 HD3 ARG 13 5.915 4.426 -17.268 103 HE ARG 13 HE ARG 13 4.240 5.582 -15.295 104 HH11 ARG 13 HH11 ARG 13 5.880 6.458 -18.299 105 HH12 ARG 13 HH12 ARG 13 4.730 7.701 -18.693 106 HH21 ARG 13 HH21 ARG 13 2.765 7.208 -15.809 107 HH22 ARG 13 HH22 ARG 13 2.957 8.126 -17.273 108 H ILE 14 H ILE 14 2.601 3.039 -13.040 109 HA ILE 14 HA ILE 14 3.531 5.149 -11.446 110 HB ILE 14 HB ILE 14 0.870 3.658 -11.113 111 HG12 ILE 14 HG12 ILE 14 1.524 6.188 -12.715 112 HG13 ILE 14 HG13 ILE 14 1.140 4.612 -13.397 113 HG21 ILE 14 HG21 ILE 14 0.073 5.735 -9.994 114 HG22 ILE 14 HG22 ILE 14 1.698 6.412 -10.097 115 HG23 ILE 14 HG23 ILE 14 1.401 4.982 -9.106 116 HD11 ILE 14 HD11 ILE 14 -0.739 6.339 -11.790 117 HD12 ILE 14 HD12 ILE 14 -1.120 4.761 -12.485 118 HD13 ILE 14 HD13 ILE 14 -0.745 6.123 -13.541 119 H ALA 15 H ALA 15 2.838 1.779 -10.608 120 HA ALA 15 HA ALA 15 3.175 1.838 -7.830 121 HB1 ALA 15 HB1 ALA 15 3.677 -0.568 -8.015 122 HB2 ALA 15 HB2 ALA 15 3.918 -0.390 -9.757 123 HB3 ALA 15 HB3 ALA 15 2.324 -0.120 -9.052 124 H GLU 16 H GLU 16 5.605 1.502 -10.416 125 HA GLU 16 HA GLU 16 7.865 1.341 -8.631 126 HB2 GLU 16 HB2 GLU 16 7.835 0.275 -10.865 127 HB3 GLU 16 HB3 GLU 16 7.749 1.856 -11.630 128 HG2 GLU 16 HG2 GLU 16 10.010 0.896 -11.742 129 HG3 GLU 16 HG3 GLU 16 9.982 2.408 -10.837 130 H GLU 17 H GLU 17 6.216 3.968 -10.338 131 HA GLU 17 HA GLU 17 8.266 5.941 -10.071 132 HB2 GLU 17 HB2 GLU 17 5.269 6.312 -10.455 133 HB3 GLU 17 HB3 GLU 17 6.477 7.583 -10.611 134 HG2 GLU 17 HG2 GLU 17 6.221 5.139 -12.361 135 HG3 GLU 17 HG3 GLU 17 5.723 6.770 -12.783 136 H LEU 18 H LEU 18 5.559 4.916 -8.096 137 HA LEU 18 HA LEU 18 5.884 6.922 -6.054 138 HB2 LEU 18 HB2 LEU 18 4.340 4.290 -6.105 139 HB3 LEU 18 HB3 LEU 18 4.266 5.454 -4.794 140 HG LEU 18 HG LEU 18 3.292 5.913 -7.644 141 HD11 LEU 18 HD11 LEU 18 1.840 4.428 -6.338 142 HD12 LEU 18 HD12 LEU 18 1.052 5.972 -6.652 143 HD13 LEU 18 HD13 LEU 18 1.731 5.638 -5.055 144 HD21 LEU 18 HD21 LEU 18 3.198 7.822 -5.286 145 HD22 LEU 18 HD22 LEU 18 2.420 8.075 -6.851 146 HD23 LEU 18 HD23 LEU 18 4.178 8.007 -6.744 147 H ARG 19 H ARG 19 7.031 3.662 -6.661 148 HA ARG 19 HA ARG 19 7.868 2.837 -4.121 149 HB2 ARG 19 HB2 ARG 19 7.640 1.280 -5.986 150 HB3 ARG 19 HB3 ARG 19 8.915 2.094 -6.886 151 HG2 ARG 19 HG2 ARG 19 10.592 1.330 -5.301 152 HG3 ARG 19 HG3 ARG 19 9.344 0.665 -4.249 153 HD2 ARG 19 HD2 ARG 19 8.755 -1.003 -5.952 154 HD3 ARG 19 HD3 ARG 19 9.943 -0.309 -7.067 155 HE ARG 19 HE ARG 19 10.738 -1.437 -4.452 156 HH11 ARG 19 HH11 ARG 19 11.115 -1.381 -7.960 157 HH12 ARG 19 HH12 ARG 19 12.481 -2.454 -7.940 158 HH21 ARG 19 HH21 ARG 19 12.515 -2.845 -4.458 159 HH22 ARG 19 HH22 ARG 19 13.263 -3.274 -5.963 160 H LYS 20 H LYS 20 9.718 4.426 -6.690 161 HA LYS 20 HA LYS 20 12.206 4.545 -5.379 162 HB2 LYS 20 HB2 LYS 20 12.744 6.325 -7.058 163 HB3 LYS 20 HB3 LYS 20 12.051 4.871 -7.766 164 HG2 LYS 20 HG2 LYS 20 9.812 6.064 -7.786 165 HG3 LYS 20 HG3 LYS 20 10.674 7.534 -7.327 166 HD2 LYS 20 HD2 LYS 20 11.140 5.913 -9.865 167 HD3 LYS 20 HD3 LYS 20 10.251 7.430 -9.763 168 HE2 LYS 20 HE2 LYS 20 12.319 8.585 -9.052 169 HE3 LYS 20 HE3 LYS 20 13.208 7.065 -9.169 170 HZ1 LYS 20 HZ1 LYS 20 12.659 6.996 -11.547 171 HZ2 LYS 20 HZ2 LYS 20 13.533 8.389 -11.162 172 HZ3 LYS 20 HZ3 LYS 20 11.867 8.475 -11.423 173 H GLU 21 H GLU 21 9.387 6.632 -5.236 174 HA GLU 21 HA GLU 21 10.588 8.848 -3.899 175 HB2 GLU 21 HB2 GLU 21 7.667 8.091 -4.159 176 HB3 GLU 21 HB3 GLU 21 8.288 9.672 -3.678 177 HG2 GLU 21 HG2 GLU 21 8.788 8.340 -6.351 178 HG3 GLU 21 HG3 GLU 21 7.587 9.582 -6.049 179 H VAL 22 H VAL 22 8.896 5.945 -2.811 180 HA VAL 22 HA VAL 22 8.718 6.446 -0.042 181 HB VAL 22 HB VAL 22 9.366 3.781 -1.418 182 HG11 VAL 22 HG11 VAL 22 9.852 3.669 0.976 183 HG12 VAL 22 HG12 VAL 22 8.415 2.716 0.605 184 HG13 VAL 22 HG13 VAL 22 8.248 4.304 1.361 185 HG21 VAL 22 HG21 VAL 22 6.658 4.908 -0.642 186 HG22 VAL 22 HG22 VAL 22 6.954 3.295 -1.297 187 HG23 VAL 22 HG23 VAL 22 7.276 4.721 -2.284 188 H GLN 23 H GLN 23 11.331 5.222 -2.070 189 HA GLN 23 HA GLN 23 13.215 4.717 0.034 190 HB2 GLN 23 HB2 GLN 23 13.631 4.946 -2.988 191 HB3 GLN 23 HB3 GLN 23 14.790 4.270 -1.842 192 HG2 GLN 23 HG2 GLN 23 13.298 2.420 -1.330 193 HG3 GLN 23 HG3 GLN 23 12.012 3.134 -2.299 194 HE21 GLN 23 HE21 GLN 23 15.077 1.444 -2.419 195 HE22 GLN 23 HE22 GLN 23 14.974 0.971 -4.073 196 H LYS 24 H LYS 24 12.483 7.477 -2.046 197 HA LYS 24 HA LYS 24 14.784 9.083 -1.355 198 HB2 LYS 24 HB2 LYS 24 12.080 9.949 -2.481 199 HB3 LYS 24 HB3 LYS 24 13.504 10.976 -2.376 200 HG2 LYS 24 HG2 LYS 24 13.174 8.508 -4.086 201 HG3 LYS 24 HG3 LYS 24 13.204 10.174 -4.648 202 HD2 LYS 24 HD2 LYS 24 15.574 10.362 -3.928 203 HD3 LYS 24 HD3 LYS 24 15.530 8.689 -3.356 204 HE2 LYS 24 HE2 LYS 24 15.099 7.907 -5.653 205 HE3 LYS 24 HE3 LYS 24 15.111 9.573 -6.235 206 HZ1 LYS 24 HZ1 LYS 24 17.428 9.752 -5.538 207 HZ2 LYS 24 HZ2 LYS 24 17.222 8.491 -6.640 208 HZ3 LYS 24 HZ3 LYS 24 17.414 8.151 -4.996 209 H HIS 25 H HIS 25 11.594 8.574 -0.007 210 HA HIS 25 HA HIS 25 11.640 10.728 1.905 211 HB2 HIS 25 HB2 HIS 25 9.504 9.739 1.107 212 HB3 HIS 25 HB3 HIS 25 9.943 8.179 1.785 213 HD2 HIS 25 HD2 HIS 25 9.850 8.079 4.665 214 HE1 HIS 25 HE1 HIS 25 7.310 11.443 4.891 215 HE2 HIS 25 HE2 HIS 25 8.077 9.339 6.056 216 H ASP 26 H ASP 26 12.263 7.258 1.947 217 HA ASP 26 HA ASP 26 14.121 7.346 4.132 218 HB2 ASP 26 HB2 ASP 26 11.901 7.413 5.321 219 HB3 ASP 26 HB3 ASP 26 11.463 5.894 4.555 220 HA PRO 27 HA PRO 27 15.136 3.897 1.334 221 HB2 PRO 27 HB2 PRO 27 17.729 3.565 1.998 222 HB3 PRO 27 HB3 PRO 27 17.173 5.045 1.183 223 HG2 PRO 27 HG2 PRO 27 17.758 4.606 4.091 224 HG3 PRO 27 HG3 PRO 27 18.204 5.977 3.053 225 HD2 PRO 27 HD2 PRO 27 16.028 5.979 4.765 226 HD3 PRO 27 HD3 PRO 27 16.155 7.005 3.317 227 H ASN 28 H ASN 28 14.646 3.603 4.649 228 HA ASN 28 HA ASN 28 15.558 0.809 4.884 229 HB2 ASN 28 HB2 ASN 28 14.414 2.763 6.923 230 HB3 ASN 28 HB3 ASN 28 14.680 1.064 7.285 231 HD21 ASN 28 HD21 ASN 28 16.894 3.062 5.328 232 HD22 ASN 28 HD22 ASN 28 18.186 3.022 6.468 233 H VAL 29 H VAL 29 12.637 2.631 4.297 234 HA VAL 29 HA VAL 29 10.738 0.644 5.050 235 HB VAL 29 HB VAL 29 10.342 2.706 2.824 236 HG11 VAL 29 HG11 VAL 29 8.308 1.256 4.575 237 HG12 VAL 29 HG12 VAL 29 8.605 0.961 2.859 238 HG13 VAL 29 HG13 VAL 29 7.932 2.504 3.383 239 HG21 VAL 29 HG21 VAL 29 9.833 3.041 5.798 240 HG22 VAL 29 HG22 VAL 29 9.369 4.191 4.539 241 HG23 VAL 29 HG23 VAL 29 11.074 3.861 4.846 242 H LYS 30 H LYS 30 10.094 -1.178 4.031 243 HA LYS 30 HA LYS 30 11.543 -2.038 1.636 244 HB2 LYS 30 HB2 LYS 30 9.669 -3.563 3.505 245 HB3 LYS 30 HB3 LYS 30 10.592 -4.295 2.191 246 HG2 LYS 30 HG2 LYS 30 11.719 -2.924 4.648 247 HG3 LYS 30 HG3 LYS 30 11.686 -4.661 4.357 248 HD2 LYS 30 HD2 LYS 30 13.095 -2.877 2.361 249 HD3 LYS 30 HD3 LYS 30 13.871 -3.220 3.888 250 HE2 LYS 30 HE2 LYS 30 14.681 -4.815 2.294 251 HE3 LYS 30 HE3 LYS 30 13.624 -5.672 3.412 252 HZ1 LYS 30 HZ1 LYS 30 12.796 -4.714 0.729 253 HZ2 LYS 30 HZ2 LYS 30 11.887 -5.676 1.779 254 HZ3 LYS 30 HZ3 LYS 30 13.290 -6.288 1.070 255 H THR 31 H THR 31 10.587 -2.582 -0.274 256 HA THR 31 HA THR 31 7.725 -1.855 -0.701 257 HB THR 31 HB THR 31 8.515 -0.866 -2.953 258 HG1 THR 31 HG1 THR 31 11.021 -0.598 -1.630 259 HG21 THR 31 HG21 THR 31 9.103 1.339 -2.003 260 HG22 THR 31 HG22 THR 31 9.384 0.597 -0.427 261 HG23 THR 31 HG23 THR 31 7.760 0.610 -1.118 262 H VAL 32 H VAL 32 6.645 -3.485 -1.689 263 HA VAL 32 HA VAL 32 8.206 -5.655 -2.995 264 HB VAL 32 HB VAL 32 5.648 -5.990 -1.341 265 HG11 VAL 32 HG11 VAL 32 7.604 -8.072 -2.395 266 HG12 VAL 32 HG12 VAL 32 5.979 -7.762 -3.013 267 HG13 VAL 32 HG13 VAL 32 6.193 -8.391 -1.381 268 HG21 VAL 32 HG21 VAL 32 8.517 -6.520 -0.481 269 HG22 VAL 32 HG22 VAL 32 7.066 -6.909 0.450 270 HG23 VAL 32 HG23 VAL 32 7.470 -5.227 0.112 271 HA PRO 33 HA PRO 33 5.175 -4.932 -6.346 272 HB2 PRO 33 HB2 PRO 33 6.222 -6.619 -8.200 273 HB3 PRO 33 HB3 PRO 33 7.034 -5.100 -7.766 274 HG2 PRO 33 HG2 PRO 33 7.638 -7.887 -6.843 275 HG3 PRO 33 HG3 PRO 33 8.758 -6.607 -7.364 276 HD2 PRO 33 HD2 PRO 33 8.227 -7.167 -4.719 277 HD3 PRO 33 HD3 PRO 33 8.742 -5.569 -5.303 278 H THR 34 H THR 34 3.845 -6.411 -7.793 279 HA THR 34 HA THR 34 2.068 -7.877 -6.186 280 HB THR 34 HB THR 34 0.845 -8.327 -8.304 281 HG1 THR 34 HG1 THR 34 1.904 -8.337 -10.139 282 HG21 THR 34 HG21 THR 34 0.564 -6.104 -7.288 283 HG22 THR 34 HG22 THR 34 0.532 -5.990 -9.048 284 HG23 THR 34 HG23 THR 34 1.980 -5.511 -8.160 285 H LYS 35 H LYS 35 4.576 -8.939 -8.454 286 HA LYS 35 HA LYS 35 3.812 -11.650 -8.710 287 HB2 LYS 35 HB2 LYS 35 6.021 -12.037 -9.688 288 HB3 LYS 35 HB3 LYS 35 5.357 -10.520 -10.280 289 HG2 LYS 35 HG2 LYS 35 6.798 -9.272 -8.703 290 HG3 LYS 35 HG3 LYS 35 7.478 -10.799 -8.130 291 HD2 LYS 35 HD2 LYS 35 8.354 -11.259 -10.419 292 HD3 LYS 35 HD3 LYS 35 7.674 -9.724 -10.976 293 HE2 LYS 35 HE2 LYS 35 9.999 -9.348 -10.587 294 HE3 LYS 35 HE3 LYS 35 9.147 -8.567 -9.254 295 HZ1 LYS 35 HZ1 LYS 35 9.637 -10.546 -7.903 296 HZ2 LYS 35 HZ2 LYS 35 11.029 -9.752 -8.428 297 HZ3 LYS 35 HZ3 LYS 35 10.544 -11.189 -9.173 298 H ASP 36 H ASP 36 5.655 -9.981 -6.274 299 HA ASP 36 HA ASP 36 6.519 -12.440 -4.933 300 HB2 ASP 36 HB2 ASP 36 7.118 -9.488 -4.493 301 HB3 ASP 36 HB3 ASP 36 7.666 -10.733 -3.376 302 H LYS 37 H LYS 37 3.693 -11.928 -5.016 303 HA LYS 37 HA LYS 37 2.562 -10.883 -2.698 304 HB2 LYS 37 HB2 LYS 37 1.336 -11.622 -4.744 305 HB3 LYS 37 HB3 LYS 37 1.610 -13.296 -4.304 306 HG2 LYS 37 HG2 LYS 37 0.145 -11.493 -2.380 307 HG3 LYS 37 HG3 LYS 37 -0.693 -12.104 -3.804 308 HD2 LYS 37 HD2 LYS 37 -0.237 -14.418 -3.105 309 HD3 LYS 37 HD3 LYS 37 0.648 -13.824 -1.698 310 HE2 LYS 37 HE2 LYS 37 -1.408 -12.790 -0.824 311 HE3 LYS 37 HE3 LYS 37 -2.303 -13.351 -2.243 312 HZ1 LYS 37 HZ1 LYS 37 -0.998 -15.078 -0.198 313 HZ2 LYS 37 HZ2 LYS 37 -1.794 -15.645 -1.579 314 HZ3 LYS 37 HZ3 LYS 37 -2.659 -14.824 -0.386 315 H GLU 38 H GLU 38 3.950 -14.076 -3.241 316 HA GLU 38 HA GLU 38 3.391 -15.302 -0.755 317 HB2 GLU 38 HB2 GLU 38 5.678 -15.744 -2.716 318 HB3 GLU 38 HB3 GLU 38 5.308 -16.824 -1.375 319 HG2 GLU 38 HG2 GLU 38 3.147 -17.370 -2.367 320 HG3 GLU 38 HG3 GLU 38 3.425 -16.212 -3.671 321 H LYS 39 H LYS 39 6.106 -13.344 -1.903 322 HA LYS 39 HA LYS 39 7.711 -13.510 0.455 323 HB2 LYS 39 HB2 LYS 39 7.758 -11.748 -2.018 324 HB3 LYS 39 HB3 LYS 39 8.838 -11.405 -0.671 325 HG2 LYS 39 HG2 LYS 39 8.741 -14.132 -1.975 326 HG3 LYS 39 HG3 LYS 39 9.752 -12.828 -2.599 327 HD2 LYS 39 HD2 LYS 39 11.043 -12.735 -0.563 328 HD3 LYS 39 HD3 LYS 39 9.925 -13.815 0.275 329 HE2 LYS 39 HE2 LYS 39 11.610 -14.638 -2.120 330 HE3 LYS 39 HE3 LYS 39 12.056 -14.917 -0.435 331 HZ1 LYS 39 HZ1 LYS 39 10.000 -16.193 -0.163 332 HZ2 LYS 39 HZ2 LYS 39 11.019 -16.862 -1.332 333 HZ3 LYS 39 HZ3 LYS 39 9.658 -15.986 -1.806 334 H VAL 40 H VAL 40 5.006 -11.477 -0.435 335 HA VAL 40 HA VAL 40 5.497 -9.155 1.014 336 HB VAL 40 HB VAL 40 2.787 -10.494 0.537 337 HG11 VAL 40 HG11 VAL 40 2.586 -8.921 2.389 338 HG12 VAL 40 HG12 VAL 40 1.810 -8.249 0.960 339 HG13 VAL 40 HG13 VAL 40 3.397 -7.657 1.460 340 HG21 VAL 40 HG21 VAL 40 3.963 -9.902 -1.546 341 HG22 VAL 40 HG22 VAL 40 4.152 -8.241 -0.991 342 HG23 VAL 40 HG23 VAL 40 2.542 -8.887 -1.318 343 H LYS 41 H LYS 41 3.876 -12.139 2.140 344 HA LYS 41 HA LYS 41 3.250 -11.529 4.770 345 HB2 LYS 41 HB2 LYS 41 2.613 -13.609 3.496 346 HB3 LYS 41 HB3 LYS 41 4.254 -14.202 3.641 347 HG2 LYS 41 HG2 LYS 41 2.468 -13.657 6.033 348 HG3 LYS 41 HG3 LYS 41 2.516 -15.212 5.208 349 HD2 LYS 41 HD2 LYS 41 4.965 -15.376 5.772 350 HD3 LYS 41 HD3 LYS 41 4.820 -13.863 6.665 351 HE2 LYS 41 HE2 LYS 41 4.725 -15.661 8.255 352 HE3 LYS 41 HE3 LYS 41 3.102 -14.972 8.139 353 HZ1 LYS 41 HZ1 LYS 41 2.460 -16.802 6.711 354 HZ2 LYS 41 HZ2 LYS 41 3.089 -17.394 8.162 355 HZ3 LYS 41 HZ3 LYS 41 4.024 -17.440 6.758 356 H GLU 42 H GLU 42 6.248 -12.731 3.371 357 HA GLU 42 HA GLU 42 7.701 -13.147 5.773 358 HB2 GLU 42 HB2 GLU 42 8.817 -12.759 2.951 359 HB3 GLU 42 HB3 GLU 42 9.631 -13.542 4.305 360 HG2 GLU 42 HG2 GLU 42 7.923 -15.344 4.281 361 HG3 GLU 42 HG3 GLU 42 7.128 -14.558 2.916 362 H GLU 43 H GLU 43 7.508 -10.502 3.459 363 HA GLU 43 HA GLU 43 9.654 -8.931 4.491 364 HB2 GLU 43 HB2 GLU 43 7.341 -8.253 2.618 365 HB3 GLU 43 HB3 GLU 43 8.679 -7.165 2.961 366 HG2 GLU 43 HG2 GLU 43 8.920 -9.873 1.633 367 HG3 GLU 43 HG3 GLU 43 8.938 -8.314 0.811 368 H ILE 44 H ILE 44 6.151 -8.953 5.003 369 HA ILE 44 HA ILE 44 5.956 -6.580 6.569 370 HB ILE 44 HB ILE 44 4.134 -9.032 6.374 371 HG12 ILE 44 HG12 ILE 44 3.827 -6.201 5.243 372 HG13 ILE 44 HG13 ILE 44 4.203 -7.650 4.317 373 HG21 ILE 44 HG21 ILE 44 3.566 -6.445 7.865 374 HG22 ILE 44 HG22 ILE 44 3.816 -8.035 8.590 375 HG23 ILE 44 HG23 ILE 44 2.404 -7.741 7.579 376 HD11 ILE 44 HD11 ILE 44 1.886 -7.035 4.044 377 HD12 ILE 44 HD12 ILE 44 1.621 -7.102 5.784 378 HD13 ILE 44 HD13 ILE 44 2.002 -8.578 4.888 379 H GLU 45 H GLU 45 6.404 -10.022 7.308 380 HA GLU 45 HA GLU 45 6.500 -9.925 10.134 381 HB2 GLU 45 HB2 GLU 45 6.225 -12.011 8.811 382 HB3 GLU 45 HB3 GLU 45 7.872 -11.864 8.210 383 HG2 GLU 45 HG2 GLU 45 8.704 -12.114 10.545 384 HG3 GLU 45 HG3 GLU 45 7.042 -12.334 11.090 385 H LYS 46 H LYS 46 8.964 -9.464 7.651 386 HA LYS 46 HA LYS 46 11.249 -9.191 9.348 387 HB2 LYS 46 HB2 LYS 46 10.667 -8.361 6.479 388 HB3 LYS 46 HB3 LYS 46 12.229 -8.070 7.238 389 HG2 LYS 46 HG2 LYS 46 12.718 -10.399 7.402 390 HG3 LYS 46 HG3 LYS 46 11.042 -10.854 7.081 391 HD2 LYS 46 HD2 LYS 46 12.490 -11.269 5.121 392 HD3 LYS 46 HD3 LYS 46 11.227 -10.087 4.768 393 HE2 LYS 46 HE2 LYS 46 13.324 -9.370 3.778 394 HE3 LYS 46 HE3 LYS 46 12.893 -8.261 5.081 395 HZ1 LYS 46 HZ1 LYS 46 14.468 -9.367 6.515 396 HZ2 LYS 46 HZ2 LYS 46 15.244 -8.886 5.096 397 HZ3 LYS 46 HZ3 LYS 46 14.823 -10.505 5.320 398 H ALA 47 H ALA 47 8.926 -6.916 7.949 399 HA ALA 47 HA ALA 47 10.145 -4.502 8.758 400 HB1 ALA 47 HB1 ALA 47 7.201 -5.105 8.276 401 HB2 ALA 47 HB2 ALA 47 8.373 -4.617 7.052 402 HB3 ALA 47 HB3 ALA 47 7.934 -3.494 8.336 403 H ARG 48 H ARG 48 7.766 -6.615 10.336 404 HA ARG 48 HA ARG 48 7.310 -5.207 12.722 405 HB2 ARG 48 HB2 ARG 48 7.297 -8.177 12.089 406 HB3 ARG 48 HB3 ARG 48 6.780 -7.540 13.650 407 HG2 ARG 48 HG2 ARG 48 4.899 -6.420 12.689 408 HG3 ARG 48 HG3 ARG 48 5.509 -6.673 11.043 409 HD2 ARG 48 HD2 ARG 48 3.625 -8.227 11.803 410 HD3 ARG 48 HD3 ARG 48 5.036 -8.986 11.088 411 HE ARG 48 HE ARG 48 5.421 -10.062 13.038 412 HH11 ARG 48 HH11 ARG 48 3.158 -7.475 13.813 413 HH12 ARG 48 HH12 ARG 48 2.913 -8.031 15.438 414 HH21 ARG 48 HH21 ARG 48 5.149 -10.715 15.157 415 HH22 ARG 48 HH22 ARG 48 4.045 -9.867 16.192 416 H LYS 49 H LYS 49 9.841 -7.552 11.879 417 HA LYS 49 HA LYS 49 11.002 -7.878 14.450 418 HB2 LYS 49 HB2 LYS 49 11.262 -9.222 12.127 419 HB3 LYS 49 HB3 LYS 49 12.662 -8.187 11.921 420 HG2 LYS 49 HG2 LYS 49 12.193 -10.080 14.251 421 HG3 LYS 49 HG3 LYS 49 13.202 -10.423 12.849 422 HD2 LYS 49 HD2 LYS 49 14.752 -8.636 13.484 423 HD3 LYS 49 HD3 LYS 49 13.705 -8.176 14.830 424 HE2 LYS 49 HE2 LYS 49 14.093 -10.391 15.875 425 HE3 LYS 49 HE3 LYS 49 15.163 -10.825 14.538 426 HZ1 LYS 49 HZ1 LYS 49 15.590 -8.617 16.482 427 HZ2 LYS 49 HZ2 LYS 49 16.585 -8.938 15.161 428 HZ3 LYS 49 HZ3 LYS 49 16.453 -10.067 16.410 429 H GLN 50 H GLN 50 11.646 -5.658 11.761 430 HA GLN 50 HA GLN 50 13.943 -4.423 13.132 431 HB2 GLN 50 HB2 GLN 50 12.858 -3.914 10.323 432 HB3 GLN 50 HB3 GLN 50 14.378 -3.310 10.977 433 HG2 GLN 50 HG2 GLN 50 13.673 -6.205 10.429 434 HG3 GLN 50 HG3 GLN 50 14.774 -5.206 9.482 435 HE21 GLN 50 HE21 GLN 50 15.186 -7.782 10.894 436 HE22 GLN 50 HE22 GLN 50 16.533 -7.522 11.947 437 H GLY 51 H GLY 51 10.656 -3.992 13.239 438 HA2 GLY 51 HA2 GLY 51 9.282 -2.320 14.006 439 HA3 GLY 51 HA3 GLY 51 10.732 -1.538 14.622 440 H ARG 52 H ARG 52 9.808 -2.254 11.312 441 HA ARG 52 HA ARG 52 9.832 0.599 10.570 442 HB2 ARG 52 HB2 ARG 52 11.217 -1.789 9.279 443 HB3 ARG 52 HB3 ARG 52 10.799 -0.382 8.307 444 HG2 ARG 52 HG2 ARG 52 12.607 -0.374 10.748 445 HG3 ARG 52 HG3 ARG 52 13.128 -0.257 9.064 446 HD2 ARG 52 HD2 ARG 52 11.771 1.865 8.868 447 HD3 ARG 52 HD3 ARG 52 11.461 1.765 10.603 448 HE ARG 52 HE ARG 52 14.067 1.779 10.699 449 HH11 ARG 52 HH11 ARG 52 11.992 3.664 8.581 450 HH12 ARG 52 HH12 ARG 52 13.104 4.981 8.438 451 HH21 ARG 52 HH21 ARG 52 15.548 3.502 10.478 452 HH22 ARG 52 HH22 ARG 52 15.131 4.892 9.518 453 HA PRO 53 HA PRO 53 6.067 -0.444 8.235 454 HB2 PRO 53 HB2 PRO 53 5.945 1.584 6.461 455 HB3 PRO 53 HB3 PRO 53 5.766 1.889 8.203 456 HG2 PRO 53 HG2 PRO 53 8.211 2.218 6.487 457 HG3 PRO 53 HG3 PRO 53 7.512 3.352 7.666 458 HD2 PRO 53 HD2 PRO 53 9.598 1.702 8.287 459 HD3 PRO 53 HD3 PRO 53 8.396 2.222 9.490 460 H ILE 54 H ILE 54 5.354 -0.563 5.825 461 HA ILE 54 HA ILE 54 7.376 -1.271 3.879 462 HB ILE 54 HB ILE 54 7.357 -3.404 5.004 463 HG12 ILE 54 HG12 ILE 54 5.570 -3.554 2.532 464 HG13 ILE 54 HG13 ILE 54 7.330 -3.573 2.549 465 HG21 ILE 54 HG21 ILE 54 4.325 -3.422 4.884 466 HG22 ILE 54 HG22 ILE 54 5.298 -3.151 6.330 467 HG23 ILE 54 HG23 ILE 54 5.343 -4.718 5.520 468 HD11 ILE 54 HD11 ILE 54 5.511 -5.713 3.643 469 HD12 ILE 54 HD12 ILE 54 7.279 -5.734 3.703 470 HD13 ILE 54 HD13 ILE 54 6.446 -5.769 2.151 471 H VAL 55 H VAL 55 6.617 -0.678 1.923 472 HA VAL 55 HA VAL 55 3.728 -0.219 1.525 473 HB VAL 55 HB VAL 55 6.060 0.779 -0.191 474 HG11 VAL 55 HG11 VAL 55 4.392 2.316 -1.160 475 HG12 VAL 55 HG12 VAL 55 3.121 1.566 -0.187 476 HG13 VAL 55 HG13 VAL 55 3.955 0.627 -1.432 477 HG21 VAL 55 HG21 VAL 55 4.498 2.297 1.934 478 HG22 VAL 55 HG22 VAL 55 5.720 2.981 0.856 479 HG23 VAL 55 HG23 VAL 55 6.182 1.771 2.051 480 H VAL 56 H VAL 56 2.749 -1.950 0.633 481 HA VAL 56 HA VAL 56 4.143 -3.708 -1.281 482 HB VAL 56 HB VAL 56 1.413 -4.077 0.070 483 HG11 VAL 56 HG11 VAL 56 1.615 -6.442 -0.648 484 HG12 VAL 56 HG12 VAL 56 3.106 -6.058 -1.516 485 HG13 VAL 56 HG13 VAL 56 1.575 -5.338 -2.026 486 HG21 VAL 56 HG21 VAL 56 2.557 -5.690 1.559 487 HG22 VAL 56 HG22 VAL 56 3.225 -4.068 1.736 488 HG23 VAL 56 HG23 VAL 56 4.110 -5.293 0.819 489 H PHE 57 H PHE 57 3.879 -3.154 -3.376 490 HA PHE 57 HA PHE 57 1.626 -1.574 -4.297 491 HB2 PHE 57 HB2 PHE 57 4.073 -2.671 -5.750 492 HB3 PHE 57 HB3 PHE 57 2.865 -1.603 -6.473 493 HD1 PHE 57 HD1 PHE 57 2.500 0.701 -5.458 494 HD2 PHE 57 HD2 PHE 57 5.851 -1.742 -4.415 495 HE1 PHE 57 HE1 PHE 57 3.638 2.664 -4.514 496 HE2 PHE 57 HE2 PHE 57 6.985 0.233 -3.483 497 HZ PHE 57 HZ PHE 57 5.878 2.432 -3.521 498 H VAL 58 H VAL 58 -0.165 -2.574 -4.587 499 HA VAL 58 HA VAL 58 -0.379 -5.306 -5.685 500 HB VAL 58 HB VAL 58 -2.452 -3.523 -4.285 501 HG11 VAL 58 HG11 VAL 58 -3.525 -5.093 -5.851 502 HG12 VAL 58 HG12 VAL 58 -3.893 -5.506 -4.176 503 HG13 VAL 58 HG13 VAL 58 -2.697 -6.447 -5.074 504 HG21 VAL 58 HG21 VAL 58 -0.962 -5.944 -3.197 505 HG22 VAL 58 HG22 VAL 58 -2.219 -5.037 -2.347 506 HG23 VAL 58 HG23 VAL 58 -0.681 -4.262 -2.736 507 H ARG 59 H ARG 59 -1.523 -5.617 -7.676 508 HA ARG 59 HA ARG 59 -1.838 -3.246 -9.375 509 HB2 ARG 59 HB2 ARG 59 -0.739 -5.398 -10.161 510 HB3 ARG 59 HB3 ARG 59 -2.298 -6.198 -10.034 511 HG2 ARG 59 HG2 ARG 59 -3.210 -4.720 -11.771 512 HG3 ARG 59 HG3 ARG 59 -1.662 -3.879 -11.888 513 HD2 ARG 59 HD2 ARG 59 -2.086 -6.835 -12.479 514 HD3 ARG 59 HD3 ARG 59 -2.008 -5.560 -13.697 515 HE ARG 59 HE ARG 59 0.333 -5.334 -12.247 516 HH11 ARG 59 HH11 ARG 59 -1.141 -7.885 -14.215 517 HH12 ARG 59 HH12 ARG 59 0.388 -8.562 -14.684 518 HH21 ARG 59 HH21 ARG 59 2.315 -6.241 -12.862 519 HH22 ARG 59 HH22 ARG 59 2.362 -7.622 -13.910 520 H GLY 60 H GLY 60 -3.868 -2.678 -10.342 521 HA2 GLY 60 HA2 GLY 60 -6.180 -2.883 -8.675 522 HA3 GLY 60 HA3 GLY 60 -6.102 -2.153 -10.275 523 H GLY 61 H GLY 61 -6.962 -4.954 -8.470 524 HA2 GLY 61 HA2 GLY 61 -8.720 -6.391 -9.616 525 HA3 GLY 61 HA3 GLY 61 -7.513 -6.623 -10.880 526 H ASP 62 H ASP 62 -5.716 -6.376 -8.209 527 HA ASP 62 HA ASP 62 -5.578 -9.261 -7.636 528 HB2 ASP 62 HB2 ASP 62 -3.687 -6.949 -7.007 529 HB3 ASP 62 HB3 ASP 62 -3.426 -8.603 -6.453 530 H ASP 63 H ASP 63 -7.795 -7.840 -6.592 531 HA ASP 63 HA ASP 63 -7.395 -6.876 -3.949 532 HB2 ASP 63 HB2 ASP 63 -9.972 -7.801 -5.303 533 HB3 ASP 63 HB3 ASP 63 -9.875 -6.854 -3.817 534 H GLU 64 H GLU 64 -8.032 -10.103 -5.199 535 HA GLU 64 HA GLU 64 -8.726 -11.422 -2.775 536 HB2 GLU 64 HB2 GLU 64 -9.087 -12.455 -4.987 537 HB3 GLU 64 HB3 GLU 64 -7.357 -12.508 -5.281 538 HG2 GLU 64 HG2 GLU 64 -7.112 -14.103 -3.379 539 HG3 GLU 64 HG3 GLU 64 -8.860 -14.058 -3.153 540 H ARG 65 H ARG 65 -5.659 -10.565 -4.269 541 HA ARG 65 HA ARG 65 -3.951 -11.781 -2.289 542 HB2 ARG 65 HB2 ARG 65 -3.369 -9.517 -4.268 543 HB3 ARG 65 HB3 ARG 65 -2.163 -10.403 -3.337 544 HG2 ARG 65 HG2 ARG 65 -2.699 -12.469 -4.529 545 HG3 ARG 65 HG3 ARG 65 -3.980 -11.652 -5.430 546 HD2 ARG 65 HD2 ARG 65 -2.364 -10.248 -6.572 547 HD3 ARG 65 HD3 ARG 65 -1.049 -10.843 -5.551 548 HE ARG 65 HE ARG 65 -2.024 -13.102 -6.740 549 HH11 ARG 65 HH11 ARG 65 -0.797 -10.046 -8.012 550 HH12 ARG 65 HH12 ARG 65 -0.191 -10.767 -9.469 551 HH21 ARG 65 HH21 ARG 65 -1.183 -14.028 -8.655 552 HH22 ARG 65 HH22 ARG 65 -0.409 -13.013 -9.831 553 H ALA 66 H ALA 66 -5.256 -8.526 -2.864 554 HA ALA 66 HA ALA 66 -3.793 -7.098 -0.939 555 HB1 ALA 66 HB1 ALA 66 -6.519 -6.432 -2.115 556 HB2 ALA 66 HB2 ALA 66 -4.958 -6.042 -2.835 557 HB3 ALA 66 HB3 ALA 66 -5.419 -5.300 -1.306 558 H LYS 67 H LYS 67 -6.899 -8.801 -0.681 559 HA LYS 67 HA LYS 67 -7.654 -7.786 1.859 560 HB2 LYS 67 HB2 LYS 67 -9.330 -9.567 1.929 561 HB3 LYS 67 HB3 LYS 67 -9.278 -8.868 0.317 562 HG2 LYS 67 HG2 LYS 67 -8.033 -10.781 -0.529 563 HG3 LYS 67 HG3 LYS 67 -7.920 -11.469 1.091 564 HD2 LYS 67 HD2 LYS 67 -10.399 -11.756 1.122 565 HD3 LYS 67 HD3 LYS 67 -10.486 -11.098 -0.517 566 HE2 LYS 67 HE2 LYS 67 -9.053 -12.966 -1.320 567 HE3 LYS 67 HE3 LYS 67 -9.023 -13.636 0.312 568 HZ1 LYS 67 HZ1 LYS 67 -11.472 -13.255 -1.331 569 HZ2 LYS 67 HZ2 LYS 67 -11.399 -13.986 0.191 570 HZ3 LYS 67 HZ3 LYS 67 -10.654 -14.717 -1.136 571 H ASP 68 H ASP 68 -5.828 -10.651 0.870 572 HA ASP 68 HA ASP 68 -5.570 -11.857 3.437 573 HB2 ASP 68 HB2 ASP 68 -4.227 -12.248 0.747 574 HB3 ASP 68 HB3 ASP 68 -3.556 -13.066 2.152 575 H ILE 69 H ILE 69 -3.517 -9.696 1.576 576 HA ILE 69 HA ILE 69 -1.262 -9.662 3.311 577 HB ILE 69 HB ILE 69 -2.258 -7.655 1.229 578 HG12 ILE 69 HG12 ILE 69 -0.028 -9.747 0.987 579 HG13 ILE 69 HG13 ILE 69 -1.659 -9.965 0.365 580 HG21 ILE 69 HG21 ILE 69 0.428 -7.765 2.633 581 HG22 ILE 69 HG22 ILE 69 -0.796 -6.501 2.789 582 HG23 ILE 69 HG23 ILE 69 0.046 -6.731 1.255 583 HD11 ILE 69 HD11 ILE 69 0.320 -7.878 -0.550 584 HD12 ILE 69 HD12 ILE 69 -1.328 -8.067 -1.157 585 HD13 ILE 69 HD13 ILE 69 -0.142 -9.349 -1.409 586 H ALA 70 H ALA 70 -4.115 -7.567 2.937 587 HA ALA 70 HA ALA 70 -3.455 -5.613 4.898 588 HB1 ALA 70 HB1 ALA 70 -5.750 -4.840 4.582 589 HB2 ALA 70 HB2 ALA 70 -6.173 -6.349 3.764 590 HB3 ALA 70 HB3 ALA 70 -5.026 -5.235 3.027 591 H GLU 71 H GLU 71 -5.350 -8.604 4.984 592 HA GLU 71 HA GLU 71 -6.422 -8.279 7.620 593 HB2 GLU 71 HB2 GLU 71 -7.505 -9.749 5.971 594 HB3 GLU 71 HB3 GLU 71 -6.074 -10.769 5.876 595 HG2 GLU 71 HG2 GLU 71 -6.424 -11.356 8.299 596 HG3 GLU 71 HG3 GLU 71 -7.936 -10.452 8.255 597 H TYR 72 H TYR 72 -3.594 -9.947 6.235 598 HA TYR 72 HA TYR 72 -2.635 -11.186 8.578 599 HB2 TYR 72 HB2 TYR 72 -1.690 -11.789 6.399 600 HB3 TYR 72 HB3 TYR 72 -1.100 -10.153 6.143 601 HD1 TYR 72 HD1 TYR 72 -0.714 -13.030 8.561 602 HD2 TYR 72 HD2 TYR 72 1.181 -9.734 6.609 603 HE1 TYR 72 HE1 TYR 72 1.442 -13.671 9.553 604 HE2 TYR 72 HE2 TYR 72 3.332 -10.382 7.603 605 HH TYR 72 HH TYR 72 4.168 -11.642 9.527 606 H ALA 73 H ALA 73 -1.704 -8.082 7.097 607 HA ALA 73 HA ALA 73 -0.055 -7.066 9.094 608 HB1 ALA 73 HB1 ALA 73 -0.476 -4.884 8.024 609 HB2 ALA 73 HB2 ALA 73 -1.851 -5.580 7.158 610 HB3 ALA 73 HB3 ALA 73 -0.215 -6.157 6.829 611 H GLN 74 H GLN 74 -3.571 -6.966 8.808 612 HA GLN 74 HA GLN 74 -4.222 -5.132 10.863 613 HB2 GLN 74 HB2 GLN 74 -5.774 -6.040 9.053 614 HB3 GLN 74 HB3 GLN 74 -5.831 -7.557 9.936 615 HG2 GLN 74 HG2 GLN 74 -7.816 -6.426 10.498 616 HG3 GLN 74 HG3 GLN 74 -6.772 -6.244 11.905 617 HE21 GLN 74 HE21 GLN 74 -8.340 -4.637 9.273 618 HE22 GLN 74 HE22 GLN 74 -7.999 -3.021 9.757 619 H LYS 75 H LYS 75 -3.860 -8.661 10.821 620 HA LYS 75 HA LYS 75 -4.471 -9.140 13.578 621 HB2 LYS 75 HB2 LYS 75 -3.105 -10.896 11.489 622 HB3 LYS 75 HB3 LYS 75 -3.620 -11.457 13.080 623 HG2 LYS 75 HG2 LYS 75 -5.962 -11.062 12.528 624 HG3 LYS 75 HG3 LYS 75 -5.508 -10.305 10.998 625 HD2 LYS 75 HD2 LYS 75 -6.288 -12.589 10.587 626 HD3 LYS 75 HD3 LYS 75 -4.570 -12.465 10.204 627 HE2 LYS 75 HE2 LYS 75 -4.035 -13.484 12.409 628 HE3 LYS 75 HE3 LYS 75 -5.762 -13.651 12.734 629 HZ1 LYS 75 HZ1 LYS 75 -4.282 -14.953 10.501 630 HZ2 LYS 75 HZ2 LYS 75 -5.939 -15.098 10.791 631 HZ3 LYS 75 HZ3 LYS 75 -4.832 -15.708 11.908 632 H GLU 76 H GLU 76 -1.555 -8.312 11.816 633 HA GLU 76 HA GLU 76 0.272 -9.066 13.947 634 HB2 GLU 76 HB2 GLU 76 0.784 -7.386 11.451 635 HB3 GLU 76 HB3 GLU 76 2.006 -8.060 12.517 636 HG2 GLU 76 HG2 GLU 76 0.160 -9.581 10.673 637 HG3 GLU 76 HG3 GLU 76 1.894 -9.372 10.500 638 H GLY 77 H GLY 77 -1.915 -6.613 13.767 639 HA2 GLY 77 HA2 GLY 77 -2.256 -4.713 15.007 640 HA3 GLY 77 HA3 GLY 77 -0.827 -5.135 15.940 641 H LEU 78 H LEU 78 -1.184 -4.447 12.501 642 HA LEU 78 HA LEU 78 0.714 -2.166 12.712 643 HB2 LEU 78 HB2 LEU 78 0.220 -3.874 10.235 644 HB3 LEU 78 HB3 LEU 78 1.531 -2.735 10.505 645 HG LEU 78 HG LEU 78 1.196 -5.431 11.886 646 HD11 LEU 78 HD11 LEU 78 3.146 -6.132 10.583 647 HD12 LEU 78 HD12 LEU 78 3.162 -4.577 9.748 648 HD13 LEU 78 HD13 LEU 78 1.798 -5.679 9.540 649 HD21 LEU 78 HD21 LEU 78 3.415 -5.100 12.812 650 HD22 LEU 78 HD22 LEU 78 2.328 -3.821 13.348 651 HD23 LEU 78 HD23 LEU 78 3.509 -3.495 12.078 652 H ARG 79 H ARG 79 -0.016 -0.224 11.840 653 HA ARG 79 HA ARG 79 -2.763 0.120 11.205 654 HB2 ARG 79 HB2 ARG 79 -0.401 2.012 10.840 655 HB3 ARG 79 HB3 ARG 79 -2.057 2.467 10.468 656 HG2 ARG 79 HG2 ARG 79 -1.862 3.332 12.596 657 HG3 ARG 79 HG3 ARG 79 -2.523 1.740 12.964 658 HD2 ARG 79 HD2 ARG 79 -0.762 2.138 14.520 659 HD3 ARG 79 HD3 ARG 79 -0.119 0.968 13.359 660 HE ARG 79 HE ARG 79 0.639 3.346 12.313 661 HH11 ARG 79 HH11 ARG 79 1.083 2.013 15.551 662 HH12 ARG 79 HH12 ARG 79 2.555 2.895 15.827 663 HH21 ARG 79 HH21 ARG 79 2.546 4.504 12.703 664 HH22 ARG 79 HH22 ARG 79 3.384 4.310 14.213 665 H VAL 80 H VAL 80 -3.725 -0.519 9.377 666 HA VAL 80 HA VAL 80 -2.141 -1.022 6.954 667 HB VAL 80 HB VAL 80 -5.079 -1.749 7.454 668 HG11 VAL 80 HG11 VAL 80 -4.770 -3.327 5.577 669 HG12 VAL 80 HG12 VAL 80 -3.111 -2.760 5.360 670 HG13 VAL 80 HG13 VAL 80 -4.464 -1.662 5.072 671 HG21 VAL 80 HG21 VAL 80 -2.621 -3.501 7.848 672 HG22 VAL 80 HG22 VAL 80 -4.299 -4.042 7.956 673 HG23 VAL 80 HG23 VAL 80 -3.670 -2.876 9.121 674 H ILE 81 H ILE 81 -2.048 0.507 5.494 675 HA ILE 81 HA ILE 81 -4.311 2.350 5.000 676 HB ILE 81 HB ILE 81 -1.306 2.729 4.555 677 HG12 ILE 81 HG12 ILE 81 -1.760 4.940 5.772 678 HG13 ILE 81 HG13 ILE 81 -3.376 4.342 6.124 679 HG21 ILE 81 HG21 ILE 81 -1.800 4.865 3.400 680 HG22 ILE 81 HG22 ILE 81 -3.520 4.471 3.417 681 HG23 ILE 81 HG23 ILE 81 -2.395 3.470 2.496 682 HD11 ILE 81 HD11 ILE 81 -0.792 3.096 7.047 683 HD12 ILE 81 HD12 ILE 81 -2.414 2.531 7.441 684 HD13 ILE 81 HD13 ILE 81 -1.866 4.103 8.012 685 H VAL 82 H VAL 82 -5.069 2.464 2.851 686 HA VAL 82 HA VAL 82 -3.849 0.681 0.809 687 HB VAL 82 HB VAL 82 -6.847 0.991 1.411 688 HG11 VAL 82 HG11 VAL 82 -7.247 -0.587 -0.445 689 HG12 VAL 82 HG12 VAL 82 -5.530 -0.549 -0.853 690 HG13 VAL 82 HG13 VAL 82 -6.506 0.912 -1.007 691 HG21 VAL 82 HG21 VAL 82 -5.743 -0.578 2.956 692 HG22 VAL 82 HG22 VAL 82 -5.092 -1.494 1.594 693 HG23 VAL 82 HG23 VAL 82 -6.837 -1.435 1.868 694 H ILE 83 H ILE 83 -3.111 2.108 -0.757 695 HA ILE 83 HA ILE 83 -4.673 4.582 -1.296 696 HB ILE 83 HB ILE 83 -1.706 4.039 -1.851 697 HG12 ILE 83 HG12 ILE 83 -3.057 5.828 0.231 698 HG13 ILE 83 HG13 ILE 83 -2.254 4.300 0.566 699 HG21 ILE 83 HG21 ILE 83 -3.320 6.597 -2.267 700 HG22 ILE 83 HG22 ILE 83 -2.663 5.565 -3.541 701 HG23 ILE 83 HG23 ILE 83 -1.575 6.440 -2.465 702 HD11 ILE 83 HD11 ILE 83 -0.130 5.272 -0.142 703 HD12 ILE 83 HD12 ILE 83 -0.878 6.143 1.195 704 HD13 ILE 83 HD13 ILE 83 -0.945 6.815 -0.434 705 H ILE 84 H ILE 84 -6.019 4.159 -2.918 706 HA ILE 84 HA ILE 84 -5.290 2.436 -5.166 707 HB ILE 84 HB ILE 84 -7.889 4.024 -4.800 708 HG12 ILE 84 HG12 ILE 84 -7.381 1.134 -3.927 709 HG13 ILE 84 HG13 ILE 84 -7.394 2.502 -2.821 710 HG21 ILE 84 HG21 ILE 84 -8.844 2.318 -6.319 711 HG22 ILE 84 HG22 ILE 84 -7.271 1.530 -6.444 712 HG23 ILE 84 HG23 ILE 84 -7.495 3.160 -7.085 713 HD11 ILE 84 HD11 ILE 84 -9.729 2.934 -3.393 714 HD12 ILE 84 HD12 ILE 84 -9.469 1.319 -2.738 715 HD13 ILE 84 HD13 ILE 84 -9.714 1.533 -4.471 716 H VAL 85 H VAL 85 -4.366 3.272 -6.972 717 HA VAL 85 HA VAL 85 -4.639 6.147 -7.626 718 HB VAL 85 HB VAL 85 -2.465 4.289 -8.725 719 HG11 VAL 85 HG11 VAL 85 -1.295 6.413 -9.212 720 HG12 VAL 85 HG12 VAL 85 -2.655 7.323 -8.550 721 HG13 VAL 85 HG13 VAL 85 -2.870 6.344 -10.005 722 HG21 VAL 85 HG21 VAL 85 -2.253 6.039 -6.249 723 HG22 VAL 85 HG22 VAL 85 -0.911 5.201 -7.032 724 HG23 VAL 85 HG23 VAL 85 -2.216 4.273 -6.292 725 H SER 86 H SER 86 -6.275 6.291 -9.046 726 HA SER 86 HA SER 86 -6.195 4.897 -11.597 727 HB2 SER 86 HB2 SER 86 -7.558 3.321 -10.283 728 HB3 SER 86 HB3 SER 86 -8.582 4.630 -9.698 729 HG SER 86 HG SER 86 -9.750 4.299 -11.399 730 H GLN 87 H GLN 87 -6.776 6.330 -13.138 731 HA GLN 87 HA GLN 87 -7.600 8.983 -12.691 732 HB2 GLN 87 HB2 GLN 87 -8.067 9.073 -15.132 733 HB3 GLN 87 HB3 GLN 87 -6.521 8.302 -14.795 734 HG2 GLN 87 HG2 GLN 87 -7.434 6.109 -15.234 735 HG3 GLN 87 HG3 GLN 87 -9.070 6.759 -15.335 736 HE21 GLN 87 HE21 GLN 87 -9.426 5.972 -17.427 737 HE22 GLN 87 HE22 GLN 87 -8.625 6.619 -18.819 738 H ASP 88 H ASP 88 -9.366 6.033 -13.129 739 HA ASP 88 HA ASP 88 -11.994 7.155 -13.492 740 HB2 ASP 88 HB2 ASP 88 -11.225 4.911 -14.396 741 HB3 ASP 88 HB3 ASP 88 -11.169 4.308 -12.743 742 H GLU 89 H GLU 89 -12.847 8.251 -11.834 743 HA GLU 89 HA GLU 89 -12.065 7.961 -9.102 744 HB2 GLU 89 HB2 GLU 89 -12.986 10.054 -10.531 745 HB3 GLU 89 HB3 GLU 89 -14.524 9.548 -9.855 746 HG2 GLU 89 HG2 GLU 89 -12.061 10.229 -8.221 747 HG3 GLU 89 HG3 GLU 89 -13.347 11.368 -8.589 748 H GLU 90 H GLU 90 -14.606 6.578 -11.014 749 HA GLU 90 HA GLU 90 -16.408 5.796 -8.969 750 HB2 GLU 90 HB2 GLU 90 -15.865 4.616 -11.722 751 HB3 GLU 90 HB3 GLU 90 -17.176 4.068 -10.678 752 HG2 GLU 90 HG2 GLU 90 -18.232 6.258 -10.764 753 HG3 GLU 90 HG3 GLU 90 -16.864 6.921 -11.659 754 H ALA 91 H ALA 91 -13.659 4.105 -10.484 755 HA ALA 91 HA ALA 91 -13.765 1.736 -8.927 756 HB1 ALA 91 HB1 ALA 91 -11.493 1.315 -9.779 757 HB2 ALA 91 HB2 ALA 91 -11.385 2.985 -10.351 758 HB3 ALA 91 HB3 ALA 91 -12.556 1.877 -11.071 759 H LEU 92 H LEU 92 -12.204 4.857 -8.461 760 HA LEU 92 HA LEU 92 -10.575 4.287 -6.233 761 HB2 LEU 92 HB2 LEU 92 -11.970 6.847 -7.090 762 HB3 LEU 92 HB3 LEU 92 -10.853 6.784 -5.739 763 HG LEU 92 HG LEU 92 -10.161 6.274 -8.659 764 HD11 LEU 92 HD11 LEU 92 -9.420 8.547 -6.782 765 HD12 LEU 92 HD12 LEU 92 -10.576 8.632 -8.115 766 HD13 LEU 92 HD13 LEU 92 -8.869 8.353 -8.451 767 HD21 LEU 92 HD21 LEU 92 -7.829 6.134 -7.915 768 HD22 LEU 92 HD22 LEU 92 -8.797 4.846 -7.204 769 HD23 LEU 92 HD23 LEU 92 -8.339 6.248 -6.229 770 H ARG 93 H ARG 93 -13.914 5.588 -6.393 771 HA ARG 93 HA ARG 93 -14.130 5.934 -3.560 772 HB2 ARG 93 HB2 ARG 93 -15.319 7.387 -5.185 773 HB3 ARG 93 HB3 ARG 93 -16.310 6.022 -5.695 774 HG2 ARG 93 HG2 ARG 93 -17.571 7.455 -4.167 775 HG3 ARG 93 HG3 ARG 93 -17.288 5.882 -3.419 776 HD2 ARG 93 HD2 ARG 93 -15.328 6.923 -2.190 777 HD3 ARG 93 HD3 ARG 93 -15.849 8.492 -2.822 778 HE ARG 93 HE ARG 93 -17.900 7.012 -1.416 779 HH11 ARG 93 HH11 ARG 93 -15.278 9.321 -1.042 780 HH12 ARG 93 HH12 ARG 93 -15.890 9.970 0.444 781 HH21 ARG 93 HH21 ARG 93 -18.701 7.853 0.537 782 HH22 ARG 93 HH22 ARG 93 -17.849 9.131 1.348 783 H LYS 94 H LYS 94 -15.272 3.455 -5.811 784 HA LYS 94 HA LYS 94 -16.902 2.050 -3.925 785 HB2 LYS 94 HB2 LYS 94 -15.649 1.166 -6.556 786 HB3 LYS 94 HB3 LYS 94 -16.816 0.205 -5.647 787 HG2 LYS 94 HG2 LYS 94 -18.512 1.946 -5.919 788 HG3 LYS 94 HG3 LYS 94 -17.345 2.978 -6.754 789 HD2 LYS 94 HD2 LYS 94 -17.179 1.296 -8.575 790 HD3 LYS 94 HD3 LYS 94 -18.382 0.292 -7.749 791 HE2 LYS 94 HE2 LYS 94 -18.817 3.102 -8.817 792 HE3 LYS 94 HE3 LYS 94 -19.428 1.608 -9.530 793 HZ1 LYS 94 HZ1 LYS 94 -20.198 2.771 -6.905 794 HZ2 LYS 94 HZ2 LYS 94 -20.689 1.253 -7.439 795 HZ3 LYS 94 HZ3 LYS 94 -21.169 2.631 -8.282 796 H GLY 95 H GLY 95 -13.541 1.766 -5.039 797 HA2 GLY 95 HA2 GLY 95 -12.766 -0.416 -3.373 798 HA3 GLY 95 HA3 GLY 95 -11.703 0.769 -4.101 799 H TYR 96 H TYR 96 -12.953 3.060 -2.899 800 HA TYR 96 HA TYR 96 -11.370 3.370 -0.616 801 HB2 TYR 96 HB2 TYR 96 -12.124 5.311 -1.904 802 HB3 TYR 96 HB3 TYR 96 -13.805 4.954 -1.546 803 HD1 TYR 96 HD2 TYR 96 -10.608 5.613 0.352 804 HD2 TYR 96 HD1 TYR 96 -14.811 6.332 0.078 805 HE1 TYR 96 HE2 TYR 96 -10.491 7.112 2.289 806 HE2 TYR 96 HE1 TYR 96 -14.683 7.836 2.021 807 HH TYR 96 HH TYR 96 -11.733 8.956 3.305 808 H GLU 97 H GLU 97 -14.877 2.978 -0.908 809 HA GLU 97 HA GLU 97 -15.381 2.785 1.881 810 HB2 GLU 97 HB2 GLU 97 -17.107 2.019 -0.511 811 HB3 GLU 97 HB3 GLU 97 -17.688 2.185 1.143 812 HG2 GLU 97 HG2 GLU 97 -16.432 4.460 -0.425 813 HG3 GLU 97 HG3 GLU 97 -18.161 4.134 -0.373 814 H ASP 98 H ASP 98 -14.658 0.421 -0.602 815 HA ASP 98 HA ASP 98 -15.738 -1.912 0.599 816 HB2 ASP 98 HB2 ASP 98 -15.211 -1.811 -1.805 817 HB3 ASP 98 HB3 ASP 98 -13.499 -1.598 -1.461 818 H LYS 99 H LYS 99 -12.319 -0.747 0.518 819 HA LYS 99 HA LYS 99 -11.472 -2.858 2.319 820 HB2 LYS 99 HB2 LYS 99 -9.932 -0.446 1.266 821 HB3 LYS 99 HB3 LYS 99 -9.243 -1.680 2.306 822 HG2 LYS 99 HG2 LYS 99 -8.502 -2.332 0.188 823 HG3 LYS 99 HG3 LYS 99 -9.917 -3.364 0.420 824 HD2 LYS 99 HD2 LYS 99 -11.269 -1.826 -0.963 825 HD3 LYS 99 HD3 LYS 99 -9.880 -0.753 -1.142 826 HE2 LYS 99 HE2 LYS 99 -10.087 -2.030 -3.158 827 HE3 LYS 99 HE3 LYS 99 -8.668 -2.629 -2.299 828 HZ1 LYS 99 HZ1 LYS 99 -11.349 -3.916 -2.283 829 HZ2 LYS 99 HZ2 LYS 99 -9.946 -4.519 -1.546 830 HZ3 LYS 99 HZ3 LYS 99 -10.045 -4.400 -3.232 831 H LYS 100 H LYS 100 -12.456 0.504 2.589 832 HA LYS 100 HA LYS 100 -11.412 1.116 5.145 833 HB2 LYS 100 HB2 LYS 100 -12.171 2.805 3.532 834 HB3 LYS 100 HB3 LYS 100 -13.835 2.261 3.716 835 HG2 LYS 100 HG2 LYS 100 -13.836 3.021 6.052 836 HG3 LYS 100 HG3 LYS 100 -12.146 3.520 5.895 837 HD2 LYS 100 HD2 LYS 100 -12.732 5.230 4.263 838 HD3 LYS 100 HD3 LYS 100 -14.406 4.655 4.194 839 HE2 LYS 100 HE2 LYS 100 -13.066 5.828 6.653 840 HE3 LYS 100 HE3 LYS 100 -14.172 6.689 5.582 841 HZ1 LYS 100 HZ1 LYS 100 -15.866 4.973 6.127 842 HZ2 LYS 100 HZ2 LYS 100 -15.388 5.903 7.459 843 HZ3 LYS 100 HZ3 LYS 100 -14.800 4.333 7.272 844 H LYS 101 H LYS 101 -14.502 -0.320 4.179 845 HA LYS 101 HA LYS 101 -15.656 -0.331 6.806 846 HB2 LYS 101 HB2 LYS 101 -17.448 -1.654 5.844 847 HB3 LYS 101 HB3 LYS 101 -17.014 -0.377 4.711 848 HG2 LYS 101 HG2 LYS 101 -15.762 -1.974 3.341 849 HG3 LYS 101 HG3 LYS 101 -16.109 -3.266 4.490 850 HD2 LYS 101 HD2 LYS 101 -18.153 -1.772 2.794 851 HD3 LYS 101 HD3 LYS 101 -17.589 -3.423 2.538 852 HE2 LYS 101 HE2 LYS 101 -18.562 -4.082 4.714 853 HE3 LYS 101 HE3 LYS 101 -19.148 -2.432 4.944 854 HZ1 LYS 101 HZ1 LYS 101 -20.928 -3.777 4.102 855 HZ2 LYS 101 HZ2 LYS 101 -19.986 -4.333 2.818 856 HZ3 LYS 101 HZ3 LYS 101 -20.462 -2.715 2.875 857 H LYS 102 H LYS 102 -13.267 -2.278 5.335 858 HA LYS 102 HA LYS 102 -13.542 -4.500 7.238 859 HB2 LYS 102 HB2 LYS 102 -11.691 -4.039 4.859 860 HB3 LYS 102 HB3 LYS 102 -11.509 -5.407 5.955 861 HG2 LYS 102 HG2 LYS 102 -13.837 -6.143 5.346 862 HG3 LYS 102 HG3 LYS 102 -13.894 -4.843 4.151 863 HD2 LYS 102 HD2 LYS 102 -11.732 -6.980 4.147 864 HD3 LYS 102 HD3 LYS 102 -13.255 -7.182 3.290 865 HE2 LYS 102 HE2 LYS 102 -11.398 -4.839 2.785 866 HE3 LYS 102 HE3 LYS 102 -11.289 -6.363 1.903 867 HZ1 LYS 102 HZ1 LYS 102 -13.727 -4.670 2.010 868 HZ2 LYS 102 HZ2 LYS 102 -13.507 -6.067 1.094 869 HZ3 LYS 102 HZ3 LYS 102 -12.616 -4.683 0.739 870 H GLY 103 H GLY 103 -12.488 -1.499 7.598 871 HA2 GLY 103 HA2 GLY 103 -11.383 -0.597 9.428 872 HA3 GLY 103 HA3 GLY 103 -10.758 -2.189 9.823 873 H TYR 104 H TYR 104 -10.298 -0.861 6.602 874 HA TYR 104 HA TYR 104 -7.414 -0.447 7.194 875 HB2 TYR 104 HB2 TYR 104 -8.648 -0.858 4.431 876 HB3 TYR 104 HB3 TYR 104 -6.948 -0.965 4.874 877 HD1 TYR 104 HD2 TYR 104 -7.199 -2.818 7.312 878 HD2 TYR 104 HD1 TYR 104 -9.033 -2.986 3.456 879 HE1 TYR 104 HE2 TYR 104 -7.448 -5.258 7.522 880 HE2 TYR 104 HE1 TYR 104 -9.275 -5.411 3.667 881 HH TYR 104 HH TYR 104 -8.215 -7.280 4.923 882 H ASP 105 H ASP 105 -6.667 1.661 7.037 883 HA ASP 105 HA ASP 105 -8.512 3.810 6.455 884 HB2 ASP 105 HB2 ASP 105 -6.742 3.938 8.255 885 HB3 ASP 105 HB3 ASP 105 -5.511 3.968 6.996 886 H VAL 106 H VAL 106 -9.017 4.198 4.330 887 HA VAL 106 HA VAL 106 -7.034 3.566 2.237 888 HB VAL 106 HB VAL 106 -10.055 4.005 1.909 889 HG11 VAL 106 HG11 VAL 106 -8.770 4.358 -0.178 890 HG12 VAL 106 HG12 VAL 106 -9.757 2.898 -0.279 891 HG13 VAL 106 HG13 VAL 106 -8.020 2.769 0.008 892 HG21 VAL 106 HG21 VAL 106 -8.518 1.395 2.153 893 HG22 VAL 106 HG22 VAL 106 -10.242 1.545 1.789 894 HG23 VAL 106 HG23 VAL 106 -9.622 2.068 3.355 895 H TYR 107 H TYR 107 -6.257 5.071 0.886 896 HA TYR 107 HA TYR 107 -7.487 7.760 0.668 897 HB2 TYR 107 HB2 TYR 107 -4.563 6.927 0.247 898 HB3 TYR 107 HB3 TYR 107 -5.208 8.542 -0.039 899 HD1 TYR 107 HD1 TYR 107 -6.202 9.823 1.953 900 HD2 TYR 107 HD2 TYR 107 -3.807 6.321 2.440 901 HE1 TYR 107 HE1 TYR 107 -5.814 10.414 4.300 902 HE2 TYR 107 HE2 TYR 107 -3.420 6.912 4.803 903 HH TYR 107 HH TYR 107 -5.229 9.059 6.461 904 H THR 108 H THR 108 -7.523 8.619 -1.509 905 HA THR 108 HA THR 108 -7.155 6.671 -3.702 906 HB THR 108 HB THR 108 -9.316 7.469 -4.720 907 HG1 THR 108 HG1 THR 108 -10.637 8.804 -3.657 908 HG21 THR 108 HG21 THR 108 -9.669 6.202 -1.978 909 HG22 THR 108 HG22 THR 108 -9.276 5.333 -3.464 910 HG23 THR 108 HG23 THR 108 -10.832 6.151 -3.303 911 H SER 109 H SER 109 -6.764 7.622 -5.771 912 HA SER 109 HA SER 109 -6.199 10.482 -5.953 913 HB2 SER 109 HB2 SER 109 -3.784 9.982 -6.621 914 HB3 SER 109 HB3 SER 109 -4.150 9.752 -4.915 915 HG SER 109 HG SER 109 -4.562 7.448 -5.653 916 H ARG 110 H ARG 110 -6.087 11.220 -8.028 917 HA ARG 110 HA ARG 110 -6.843 9.373 -10.174 918 HB2 ARG 110 HB2 ARG 110 -6.905 12.398 -9.914 919 HB3 ARG 110 HB3 ARG 110 -6.979 11.646 -11.502 920 HG2 ARG 110 HG2 ARG 110 -9.211 12.124 -10.862 921 HG3 ARG 110 HG3 ARG 110 -9.021 10.373 -10.737 922 HD2 ARG 110 HD2 ARG 110 -10.280 11.092 -8.847 923 HD3 ARG 110 HD3 ARG 110 -8.666 10.698 -8.253 924 HE ARG 110 HE ARG 110 -9.173 13.495 -8.906 925 HH11 ARG 110 HH11 ARG 110 -9.046 11.077 -6.324 926 HH12 ARG 110 HH12 ARG 110 -8.904 12.262 -5.067 927 HH21 ARG 110 HH21 ARG 110 -8.959 15.019 -7.233 928 HH22 ARG 110 HH22 ARG 110 -8.854 14.494 -5.582 929 H ASN 111 H ASN 111 -4.039 11.124 -9.024 930 HA ASN 111 HA ASN 111 -2.526 10.311 -11.438 931 HB2 ASN 111 HB2 ASN 111 -1.481 12.451 -11.701 932 HB3 ASN 111 HB3 ASN 111 -3.210 12.752 -11.604 933 HD21 ASN 111 HD21 ASN 111 -4.037 13.765 -9.689 934 HD22 ASN 111 HD22 ASN 111 -2.991 14.656 -8.639 935 H GLU 112 H GLU 112 -0.105 10.872 -11.039 936 HA GLU 112 HA GLU 112 0.792 9.073 -9.061 937 HB2 GLU 112 HB2 GLU 112 1.925 9.435 -11.248 938 HB3 GLU 112 HB3 GLU 112 2.391 11.053 -10.738 939 HG2 GLU 112 HG2 GLU 112 3.681 9.945 -8.834 940 HG3 GLU 112 HG3 GLU 112 3.397 8.403 -9.651 941 H ASP 113 H ASP 113 1.061 12.632 -9.325 942 HA ASP 113 HA ASP 113 2.666 13.032 -7.033 943 HB2 ASP 113 HB2 ASP 113 0.818 14.938 -8.515 944 HB3 ASP 113 HB3 ASP 113 1.884 15.455 -7.215 945 H GLU 114 H GLU 114 -0.831 12.901 -7.479 946 HA GLU 114 HA GLU 114 -1.576 13.833 -4.903 947 HB2 GLU 114 HB2 GLU 114 -3.071 13.801 -6.870 948 HB3 GLU 114 HB3 GLU 114 -3.118 12.049 -6.822 949 HG2 GLU 114 HG2 GLU 114 -4.420 12.029 -4.853 950 HG3 GLU 114 HG3 GLU 114 -3.995 13.690 -4.452 951 H ALA 115 H ALA 115 -1.105 10.620 -6.285 952 HA ALA 115 HA ALA 115 -1.642 9.025 -4.006 953 HB1 ALA 115 HB1 ALA 115 -0.471 7.265 -5.272 954 HB2 ALA 115 HB2 ALA 115 0.165 8.478 -6.390 955 HB3 ALA 115 HB3 ALA 115 -1.570 8.167 -6.315 956 H LYS 116 H LYS 116 1.218 10.695 -5.141 957 HA LYS 116 HA LYS 116 3.241 9.330 -3.681 958 HB2 LYS 116 HB2 LYS 116 3.645 10.561 -5.761 959 HB3 LYS 116 HB3 LYS 116 3.145 12.073 -5.019 960 HG2 LYS 116 HG2 LYS 116 5.124 12.069 -3.583 961 HG3 LYS 116 HG3 LYS 116 5.609 10.483 -4.204 962 HD2 LYS 116 HD2 LYS 116 5.395 13.061 -5.821 963 HD3 LYS 116 HD3 LYS 116 6.894 12.280 -5.306 964 HE2 LYS 116 HE2 LYS 116 6.308 10.295 -6.672 965 HE3 LYS 116 HE3 LYS 116 4.847 11.127 -7.234 966 HZ1 LYS 116 HZ1 LYS 116 6.240 12.811 -8.256 967 HZ2 LYS 116 HZ2 LYS 116 6.666 11.279 -8.835 968 HZ3 LYS 116 HZ3 LYS 116 7.636 12.050 -7.688 969 H LYS 117 H LYS 117 1.467 12.354 -3.178 970 HA LYS 117 HA LYS 117 2.812 13.106 -0.768 971 HB2 LYS 117 HB2 LYS 117 0.125 13.996 -1.914 972 HB3 LYS 117 HB3 LYS 117 0.909 14.734 -0.515 973 HG2 LYS 117 HG2 LYS 117 2.845 15.358 -1.914 974 HG3 LYS 117 HG3 LYS 117 2.061 14.636 -3.324 975 HD2 LYS 117 HD2 LYS 117 0.178 16.274 -3.060 976 HD3 LYS 117 HD3 LYS 117 1.052 17.025 -1.721 977 HE2 LYS 117 HE2 LYS 117 2.907 17.586 -3.250 978 HE3 LYS 117 HE3 LYS 117 2.036 16.829 -4.588 979 HZ1 LYS 117 HZ1 LYS 117 0.256 18.487 -4.271 980 HZ2 LYS 117 HZ2 LYS 117 1.738 19.206 -4.638 981 HZ3 LYS 117 HZ3 LYS 117 1.164 19.228 -3.052 982 H LYS 118 H LYS 118 -0.281 11.462 -1.468 983 HA LYS 118 HA LYS 118 -1.183 10.998 1.153 984 HB2 LYS 118 HB2 LYS 118 -1.577 9.427 -1.432 985 HB3 LYS 118 HB3 LYS 118 -2.414 9.006 0.061 986 HG2 LYS 118 HG2 LYS 118 -2.626 11.691 -1.338 987 HG3 LYS 118 HG3 LYS 118 -3.796 10.373 -1.495 988 HD2 LYS 118 HD2 LYS 118 -4.430 10.536 0.809 989 HD3 LYS 118 HD3 LYS 118 -3.070 11.590 1.197 990 HE2 LYS 118 HE2 LYS 118 -5.343 12.370 -0.656 991 HE3 LYS 118 HE3 LYS 118 -5.269 12.765 1.063 992 HZ1 LYS 118 HZ1 LYS 118 -3.168 13.921 0.640 993 HZ2 LYS 118 HZ2 LYS 118 -4.460 14.593 -0.222 994 HZ3 LYS 118 HZ3 LYS 118 -3.336 13.614 -1.015 995 H LEU 119 H LEU 119 1.117 9.286 -0.828 996 HA LEU 119 HA LEU 119 1.429 6.915 0.690 997 HB2 LEU 119 HB2 LEU 119 2.027 7.161 -1.699 998 HB3 LEU 119 HB3 LEU 119 3.298 8.292 -1.269 999 HG LEU 119 HG LEU 119 4.602 6.522 -0.209 1000 HD11 LEU 119 HD11 LEU 119 2.288 4.662 -0.843 1001 HD12 LEU 119 HD12 LEU 119 2.813 5.173 0.763 1002 HD13 LEU 119 HD13 LEU 119 3.868 4.171 -0.227 1003 HD21 LEU 119 HD21 LEU 119 3.541 5.727 -2.940 1004 HD22 LEU 119 HD22 LEU 119 5.021 5.112 -2.208 1005 HD23 LEU 119 HD23 LEU 119 4.886 6.821 -2.606 1006 H LYS 120 H LYS 120 3.328 9.934 0.490 1007 HA LYS 120 HA LYS 120 5.198 9.168 2.511 1008 HB2 LYS 120 HB2 LYS 120 4.599 11.938 1.403 1009 HB3 LYS 120 HB3 LYS 120 5.953 11.541 2.464 1010 HG2 LYS 120 HG2 LYS 120 6.764 9.927 0.717 1011 HG3 LYS 120 HG3 LYS 120 5.490 10.513 -0.350 1012 HD2 LYS 120 HD2 LYS 120 7.807 12.135 0.765 1013 HD3 LYS 120 HD3 LYS 120 7.623 11.570 -0.895 1014 HE2 LYS 120 HE2 LYS 120 6.990 13.813 -1.023 1015 HE3 LYS 120 HE3 LYS 120 5.438 12.988 -0.912 1016 HZ1 LYS 120 HZ1 LYS 120 5.602 14.969 0.513 1017 HZ2 LYS 120 HZ2 LYS 120 6.860 14.258 1.376 1018 HZ3 LYS 120 HZ3 LYS 120 5.318 13.578 1.425 1019 H GLU 121 H GLU 121 2.105 10.883 2.564 1020 HA GLU 121 HA GLU 121 2.106 11.889 5.196 1021 HB2 GLU 121 HB2 GLU 121 -0.172 10.900 3.422 1022 HB3 GLU 121 HB3 GLU 121 -0.471 11.521 5.041 1023 HG2 GLU 121 HG2 GLU 121 0.414 13.709 4.413 1024 HG3 GLU 121 HG3 GLU 121 0.858 13.096 2.824 1025 H ALA 122 H ALA 122 1.279 8.706 3.916 1026 HA ALA 122 HA ALA 122 0.556 7.473 6.394 1027 HB1 ALA 122 HB1 ALA 122 -0.254 6.636 4.222 1028 HB2 ALA 122 HB2 ALA 122 0.601 5.371 5.107 1029 HB3 ALA 122 HB3 ALA 122 1.392 6.198 3.759 1030 H LEU 123 H LEU 123 3.574 7.682 4.533 1031 HA LEU 123 HA LEU 123 5.167 5.959 6.155 1032 HB2 LEU 123 HB2 LEU 123 5.947 8.252 4.309 1033 HB3 LEU 123 HB3 LEU 123 7.105 7.147 5.035 1034 HG LEU 123 HG LEU 123 4.917 6.323 3.080 1035 HD11 LEU 123 HD11 LEU 123 6.708 6.035 1.425 1036 HD12 LEU 123 HD12 LEU 123 7.896 6.664 2.570 1037 HD13 LEU 123 HD13 LEU 123 6.611 7.713 1.963 1038 HD21 LEU 123 HD21 LEU 123 6.102 4.169 2.990 1039 HD22 LEU 123 HD22 LEU 123 5.496 4.512 4.606 1040 HD23 LEU 123 HD23 LEU 123 7.213 4.718 4.245 1041 H GLU 124 H GLU 124 4.280 9.342 6.396 1042 HA GLU 124 HA GLU 124 6.157 10.123 8.410 1043 HB2 GLU 124 HB2 GLU 124 3.555 11.343 7.406 1044 HB3 GLU 124 HB3 GLU 124 4.480 12.080 8.712 1045 HG2 GLU 124 HG2 GLU 124 6.374 12.465 7.265 1046 HG3 GLU 124 HG3 GLU 124 5.641 11.533 5.958 1047 H LYS 125 H LYS 125 3.038 8.531 8.474 1048 HA LYS 125 HA LYS 125 2.501 8.904 11.292 1049 HB2 LYS 125 HB2 LYS 125 1.329 6.855 9.365 1050 HB3 LYS 125 HB3 LYS 125 0.691 7.259 10.958 1051 HG2 LYS 125 HG2 LYS 125 0.770 9.028 8.509 1052 HG3 LYS 125 HG3 LYS 125 -0.651 8.324 9.273 1053 HD2 LYS 125 HD2 LYS 125 -0.247 9.740 11.283 1054 HD3 LYS 125 HD3 LYS 125 1.153 10.462 10.479 1055 HE2 LYS 125 HE2 LYS 125 -1.744 10.648 9.574 1056 HE3 LYS 125 HE3 LYS 125 -0.781 11.944 10.284 1057 HZ1 LYS 125 HZ1 LYS 125 -0.278 10.623 7.674 1058 HZ2 LYS 125 HZ2 LYS 125 0.690 11.826 8.351 1059 HZ3 LYS 125 HZ3 LYS 125 -0.900 12.178 7.906 1060 H SER 126 H SER 126 4.560 6.847 9.504 1061 HA SER 126 HA SER 126 4.856 4.933 11.750 1062 HB2 SER 126 HB2 SER 126 6.112 3.532 10.157 1063 HB3 SER 126 HB3 SER 126 4.525 3.935 9.502 1064 HG SER 126 HG SER 126 5.666 5.704 8.408 1065 H GLY 127 H GLY 127 7.392 4.122 11.659 1066 HA2 GLY 127 HA2 GLY 127 8.993 6.390 12.510 1067 HA3 GLY 127 HA3 GLY 127 9.484 4.703 12.481 1068 H SER 128 H SER 128 8.515 7.173 10.111 1069 HA SER 128 HA SER 128 11.058 6.926 8.674 1070 HB2 SER 128 HB2 SER 128 8.355 6.712 7.251 1071 HB3 SER 128 HB3 SER 128 9.952 6.649 6.503 1072 HG SER 128 HG SER 128 8.626 4.733 8.047 1073 H LEU 129 H LEU 129 11.521 8.968 9.495 1074 HA LEU 129 HA LEU 129 9.964 11.256 8.460 1075 HB2 LEU 129 HB2 LEU 129 10.807 10.798 11.351 1076 HB3 LEU 129 HB3 LEU 129 10.407 12.395 10.740 1077 HG LEU 129 HG LEU 129 8.494 10.026 10.827 1078 HD11 LEU 129 HD11 LEU 129 7.338 11.256 12.614 1079 HD12 LEU 129 HD12 LEU 129 8.581 12.509 12.579 1080 HD13 LEU 129 HD13 LEU 129 8.994 10.867 13.077 1081 HD21 LEU 129 HD21 LEU 129 6.761 11.678 10.216 1082 HD22 LEU 129 HD22 LEU 129 7.978 11.491 8.957 1083 HD23 LEU 129 HD23 LEU 129 8.013 12.908 10.010 1084 H GLU 130 H GLU 130 11.456 11.951 7.030 1085 HA GLU 130 HA GLU 130 14.048 12.906 8.106 1086 HB2 GLU 130 HB2 GLU 130 13.807 11.440 5.868 1087 HB3 GLU 130 HB3 GLU 130 13.365 12.974 5.140 1088 HG2 GLU 130 HG2 GLU 130 15.977 12.368 6.570 1089 HG3 GLU 130 HG3 GLU 130 15.747 12.417 4.829 1090 H HIS 131 H HIS 131 14.241 15.086 8.392 1091 HA HIS 131 HA HIS 131 11.930 16.773 8.097 1092 HB2 HIS 131 HB2 HIS 131 13.559 16.980 10.024 1093 HB3 HIS 131 HB3 HIS 131 14.764 17.586 8.894 1094 HD2 HIS 131 HD2 HIS 131 11.158 18.720 10.090 1095 HE1 HIS 131 HE1 HIS 131 13.558 22.100 9.257 1096 HE2 HIS 131 HE2 HIS 131 11.329 21.305 10.159 1097 H HIS 132 H HIS 132 11.639 16.579 5.842 1098 HA HIS 132 HA HIS 132 13.557 17.504 3.923 1099 HB2 HIS 132 HB2 HIS 132 10.550 17.057 3.619 1100 HB3 HIS 132 HB3 HIS 132 11.683 17.297 2.295 1101 HD2 HIS 132 HD2 HIS 132 13.893 15.122 2.717 1102 HE1 HIS 132 HE1 HIS 132 10.733 12.381 3.350 1103 HE2 HIS 132 HE2 HIS 132 13.223 12.631 2.975 1104 H HIS 133 H HIS 133 14.198 19.554 4.165 1105 HA HIS 133 HA HIS 133 12.584 21.771 4.946 1106 HB2 HIS 133 HB2 HIS 133 15.304 21.703 3.554 1107 HB3 HIS 133 HB3 HIS 133 14.540 23.173 4.142 1108 HD1 HIS 133 HD1 HIS 133 15.129 23.840 6.442 1109 HD2 HIS 133 HD2 HIS 133 15.897 19.818 5.781 1110 HE1 HIS 133 HE1 HIS 133 16.321 23.037 8.496 1111 HE2 HIS 133 HE2 HIS 133 16.479 20.554 8.173 1112 H HIS 134 H HIS 134 10.762 21.881 3.646 1113 HA HIS 134 HA HIS 134 10.971 21.632 0.750 1114 HB2 HIS 134 HB2 HIS 134 9.130 20.520 2.004 1115 HB3 HIS 134 HB3 HIS 134 8.507 22.097 2.486 1116 HD1 HIS 134 HD1 HIS 134 9.219 20.176 -0.725 1117 HD2 HIS 134 HD2 HIS 134 6.634 23.066 0.750 1118 HE1 HIS 134 HE1 HIS 134 7.584 20.614 -2.574 1119 HE2 HIS 134 HE2 HIS 134 5.907 22.192 -1.561 1120 H HIS 135 H HIS 135 11.668 23.333 -0.296 1121 HA HIS 135 HA HIS 135 10.397 25.965 -0.071 1122 HB2 HIS 135 HB2 HIS 135 12.454 25.889 1.460 1123 HB3 HIS 135 HB3 HIS 135 13.443 25.629 0.032 1124 HD1 HIS 135 HD1 HIS 135 12.221 28.249 2.170 1125 HD2 HIS 135 HD2 HIS 135 13.250 27.981 -1.848 1126 HE1 HIS 135 HE1 HIS 135 12.590 30.615 1.413 1127 HE2 HIS 135 HE2 HIS 135 13.141 30.431 -1.031 1128 H HIS 136 H HIS 136 9.591 24.654 -1.996 1129 HA HIS 136 HA HIS 136 9.289 24.370 -4.202 1130 HB2 HIS 136 HB2 HIS 136 11.263 26.680 -4.390 1131 HB3 HIS 136 HB3 HIS 136 10.410 26.030 -5.781 1132 HD1 HIS 136 HD1 HIS 136 8.518 27.487 -6.384 1133 HD2 HIS 136 HD2 HIS 136 9.131 27.394 -2.276 1134 HE1 HIS 136 HE1 HIS 136 6.768 29.002 -5.403 1135 HE2 HIS 136 HE2 HIS 136 7.310 29.085 -2.956 Start of MODEL 15 1 H1 MET 1 H1 MET 1 2.672 -3.369 16.029 2 H2 MET 1 H2 MET 1 1.517 -2.369 15.310 3 H3 MET 1 H3 MET 1 1.748 -2.322 16.983 4 HA MET 1 HA MET 1 2.733 -0.422 15.892 5 HB2 MET 1 HB2 MET 1 3.756 -1.274 17.989 6 HB3 MET 1 HB3 MET 1 4.786 -2.352 17.059 7 HG2 MET 1 HG2 MET 1 5.850 -0.357 16.004 8 HG3 MET 1 HG3 MET 1 4.872 0.676 17.050 9 HE1 MET 1 HE1 MET 1 7.116 1.880 17.960 10 HE2 MET 1 HE2 MET 1 8.038 0.860 16.851 11 HE3 MET 1 HE3 MET 1 8.505 0.970 18.548 12 H GLY 2 H GLY 2 2.960 0.003 13.800 13 HA2 GLY 2 HA2 GLY 2 4.883 -0.062 12.061 14 HA3 GLY 2 HA3 GLY 2 4.483 -1.782 11.997 15 H VAL 3 H VAL 3 4.237 -0.407 9.685 16 HA VAL 3 HA VAL 3 1.317 -0.235 9.247 17 HB VAL 3 HB VAL 3 3.330 1.902 8.359 18 HG11 VAL 3 HG11 VAL 3 0.400 1.705 7.589 19 HG12 VAL 3 HG12 VAL 3 1.775 1.459 6.505 20 HG13 VAL 3 HG13 VAL 3 1.483 3.050 7.211 21 HG21 VAL 3 HG21 VAL 3 0.851 2.186 10.103 22 HG22 VAL 3 HG22 VAL 3 1.949 3.491 9.634 23 HG23 VAL 3 HG23 VAL 3 2.519 2.194 10.684 24 H VAL 4 H VAL 4 0.691 -1.210 7.340 25 HA VAL 4 HA VAL 4 2.774 -1.888 5.328 26 HB VAL 4 HB VAL 4 0.213 -3.471 5.902 27 HG11 VAL 4 HG11 VAL 4 2.544 -4.126 4.060 28 HG12 VAL 4 HG12 VAL 4 0.921 -3.650 3.557 29 HG13 VAL 4 HG13 VAL 4 1.170 -5.182 4.395 30 HG21 VAL 4 HG21 VAL 4 1.788 -3.718 7.776 31 HG22 VAL 4 HG22 VAL 4 3.073 -4.183 6.660 32 HG23 VAL 4 HG23 VAL 4 1.664 -5.226 6.867 33 H ILE 5 H ILE 5 2.536 -0.547 3.646 34 HA ILE 5 HA ILE 5 -0.059 0.700 3.064 35 HB ILE 5 HB ILE 5 2.717 1.428 2.018 36 HG12 ILE 5 HG12 ILE 5 1.063 2.794 4.191 37 HG13 ILE 5 HG13 ILE 5 2.484 1.801 4.477 38 HG21 ILE 5 HG21 ILE 5 1.671 3.521 1.220 39 HG22 ILE 5 HG22 ILE 5 0.095 2.945 1.763 40 HG23 ILE 5 HG23 ILE 5 0.936 2.106 0.460 41 HD11 ILE 5 HD11 ILE 5 3.010 4.148 4.651 42 HD12 ILE 5 HD12 ILE 5 2.438 4.437 3.008 43 HD13 ILE 5 HD13 ILE 5 3.864 3.430 3.287 44 H LEU 6 H LEU 6 -1.232 -0.497 1.659 45 HA LEU 6 HA LEU 6 0.012 -2.001 -0.539 46 HB2 LEU 6 HB2 LEU 6 -2.914 -1.914 0.261 47 HB3 LEU 6 HB3 LEU 6 -2.115 -3.147 -0.691 48 HG LEU 6 HG LEU 6 -1.608 -2.629 2.262 49 HD11 LEU 6 HD11 LEU 6 -3.851 -3.465 1.944 50 HD12 LEU 6 HD12 LEU 6 -2.832 -4.699 2.678 51 HD13 LEU 6 HD13 LEU 6 -3.250 -4.808 0.965 52 HD21 LEU 6 HD21 LEU 6 -0.653 -4.884 0.484 53 HD22 LEU 6 HD22 LEU 6 -0.391 -4.739 2.226 54 HD23 LEU 6 HD23 LEU 6 0.334 -3.568 1.130 55 H VAL 7 H VAL 7 0.437 -0.564 -2.187 56 HA VAL 7 HA VAL 7 -1.533 1.503 -2.884 57 HB VAL 7 HB VAL 7 1.290 1.041 -3.975 58 HG11 VAL 7 HG11 VAL 7 -0.146 2.258 -5.582 59 HG12 VAL 7 HG12 VAL 7 1.096 3.320 -4.917 60 HG13 VAL 7 HG13 VAL 7 -0.565 3.432 -4.331 61 HG21 VAL 7 HG21 VAL 7 1.962 2.961 -2.574 62 HG22 VAL 7 HG22 VAL 7 1.331 1.643 -1.584 63 HG23 VAL 7 HG23 VAL 7 0.327 3.058 -1.909 64 H LEU 8 H LEU 8 -3.160 0.669 -4.080 65 HA LEU 8 HA LEU 8 -2.751 -1.390 -6.127 66 HB2 LEU 8 HB2 LEU 8 -5.239 -0.084 -4.951 67 HB3 LEU 8 HB3 LEU 8 -5.322 -1.113 -6.369 68 HG LEU 8 HG LEU 8 -4.377 -3.007 -4.988 69 HD11 LEU 8 HD11 LEU 8 -3.254 -1.771 -3.241 70 HD12 LEU 8 HD12 LEU 8 -4.444 -2.866 -2.545 71 HD13 LEU 8 HD13 LEU 8 -4.792 -1.139 -2.656 72 HD21 LEU 8 HD21 LEU 8 -6.770 -2.849 -5.434 73 HD22 LEU 8 HD22 LEU 8 -6.992 -1.838 -4.003 74 HD23 LEU 8 HD23 LEU 8 -6.475 -3.517 -3.829 75 H THR 9 H THR 9 -1.939 -0.561 -8.004 76 HA THR 9 HA THR 9 -2.854 2.099 -8.943 77 HB THR 9 HB THR 9 -0.763 1.987 -10.381 78 HG1 THR 9 HG1 THR 9 -0.090 -0.256 -8.743 79 HG21 THR 9 HG21 THR 9 0.865 2.415 -8.572 80 HG22 THR 9 HG22 THR 9 -0.252 1.717 -7.398 81 HG23 THR 9 HG23 THR 9 -0.673 3.211 -8.237 82 H GLY 10 H GLY 10 -4.064 2.194 -10.733 83 HA2 GLY 10 HA2 GLY 10 -4.611 -0.090 -12.455 84 HA3 GLY 10 HA3 GLY 10 -5.273 1.534 -12.587 85 H ASP 11 H ASP 11 -1.993 1.763 -12.205 86 HA ASP 11 HA ASP 11 -1.168 1.434 -14.977 87 HB2 ASP 11 HB2 ASP 11 -2.102 3.823 -14.581 88 HB3 ASP 11 HB3 ASP 11 -0.742 4.075 -13.496 89 H GLU 12 H GLU 12 0.696 0.280 -14.805 90 HA GLU 12 HA GLU 12 1.752 -0.334 -12.232 91 HB2 GLU 12 HB2 GLU 12 1.585 -2.066 -13.937 92 HB3 GLU 12 HB3 GLU 12 2.703 -1.199 -14.984 93 HG2 GLU 12 HG2 GLU 12 4.533 -1.548 -13.382 94 HG3 GLU 12 HG3 GLU 12 3.436 -2.332 -12.250 95 H ARG 13 H ARG 13 3.076 1.624 -14.953 96 HA ARG 13 HA ARG 13 5.689 1.829 -13.862 97 HB2 ARG 13 HB2 ARG 13 6.021 3.799 -15.419 98 HB3 ARG 13 HB3 ARG 13 5.540 2.289 -16.170 99 HG2 ARG 13 HG2 ARG 13 4.302 3.868 -17.328 100 HG3 ARG 13 HG3 ARG 13 3.151 3.235 -16.159 101 HD2 ARG 13 HD2 ARG 13 3.667 5.282 -14.717 102 HD3 ARG 13 HD3 ARG 13 4.581 5.915 -16.094 103 HE ARG 13 HE ARG 13 1.993 5.149 -16.932 104 HH11 ARG 13 HH11 ARG 13 3.522 7.696 -15.036 105 HH12 ARG 13 HH12 ARG 13 2.272 8.852 -15.373 106 HH21 ARG 13 HH21 ARG 13 0.338 6.640 -17.288 107 HH22 ARG 13 HH22 ARG 13 0.469 8.248 -16.648 108 H ILE 14 H ILE 14 2.760 3.672 -13.248 109 HA ILE 14 HA ILE 14 3.818 5.783 -11.710 110 HB ILE 14 HB ILE 14 1.122 4.359 -11.554 111 HG12 ILE 14 HG12 ILE 14 1.955 7.076 -12.674 112 HG13 ILE 14 HG13 ILE 14 1.441 5.672 -13.601 113 HG21 ILE 14 HG21 ILE 14 1.936 6.816 -9.967 114 HG22 ILE 14 HG22 ILE 14 1.542 5.229 -9.307 115 HG23 ILE 14 HG23 ILE 14 0.291 6.191 -10.095 116 HD11 ILE 14 HD11 ILE 14 -0.332 7.267 -13.554 117 HD12 ILE 14 HD12 ILE 14 -0.267 7.384 -11.796 118 HD13 ILE 14 HD13 ILE 14 -0.813 5.891 -12.564 119 H ALA 15 H ALA 15 2.843 2.462 -10.784 120 HA ALA 15 HA ALA 15 3.279 2.594 -8.016 121 HB1 ALA 15 HB1 ALA 15 3.381 0.138 -8.079 122 HB2 ALA 15 HB2 ALA 15 3.595 0.179 -9.833 123 HB3 ALA 15 HB3 ALA 15 2.086 0.739 -9.113 124 H GLU 16 H GLU 16 5.523 1.973 -10.667 125 HA GLU 16 HA GLU 16 7.780 1.244 -9.037 126 HB2 GLU 16 HB2 GLU 16 7.663 2.098 -11.959 127 HB3 GLU 16 HB3 GLU 16 9.028 1.310 -11.169 128 HG2 GLU 16 HG2 GLU 16 7.703 -0.729 -10.826 129 HG3 GLU 16 HG3 GLU 16 6.282 0.054 -11.517 130 H GLU 17 H GLU 17 6.567 4.249 -10.460 131 HA GLU 17 HA GLU 17 8.843 5.892 -9.823 132 HB2 GLU 17 HB2 GLU 17 5.951 6.673 -10.391 133 HB3 GLU 17 HB3 GLU 17 7.293 7.808 -10.280 134 HG2 GLU 17 HG2 GLU 17 6.967 5.626 -12.345 135 HG3 GLU 17 HG3 GLU 17 6.686 7.341 -12.602 136 H LEU 18 H LEU 18 5.902 4.968 -8.197 137 HA LEU 18 HA LEU 18 6.143 6.728 -5.942 138 HB2 LEU 18 HB2 LEU 18 4.504 4.194 -6.372 139 HB3 LEU 18 HB3 LEU 18 4.405 5.181 -4.924 140 HG LEU 18 HG LEU 18 3.649 6.097 -7.726 141 HD11 LEU 18 HD11 LEU 18 2.083 4.440 -6.842 142 HD12 LEU 18 HD12 LEU 18 1.333 6.030 -6.938 143 HD13 LEU 18 HD13 LEU 18 1.865 5.399 -5.376 144 HD21 LEU 18 HD21 LEU 18 4.478 7.979 -6.401 145 HD22 LEU 18 HD22 LEU 18 3.371 7.575 -5.085 146 HD23 LEU 18 HD23 LEU 18 2.736 8.110 -6.642 147 H ARG 19 H ARG 19 7.157 3.442 -6.754 148 HA ARG 19 HA ARG 19 8.097 2.570 -4.229 149 HB2 ARG 19 HB2 ARG 19 7.751 1.064 -6.191 150 HB3 ARG 19 HB3 ARG 19 9.099 1.834 -7.027 151 HG2 ARG 19 HG2 ARG 19 10.636 1.036 -5.250 152 HG3 ARG 19 HG3 ARG 19 9.275 0.256 -4.445 153 HD2 ARG 19 HD2 ARG 19 8.961 -1.222 -6.399 154 HD3 ARG 19 HD3 ARG 19 10.322 -0.433 -7.210 155 HE ARG 19 HE ARG 19 10.962 -1.502 -4.613 156 HH11 ARG 19 HH11 ARG 19 10.812 -2.285 -8.046 157 HH12 ARG 19 HH12 ARG 19 11.929 -3.608 -7.911 158 HH21 ARG 19 HH21 ARG 19 12.396 -3.233 -4.445 159 HH22 ARG 19 HH22 ARG 19 12.824 -4.139 -5.861 160 H LYS 20 H LYS 20 9.707 4.084 -6.956 161 HA LYS 20 HA LYS 20 12.241 4.653 -6.068 162 HB2 LYS 20 HB2 LYS 20 11.531 5.004 -8.342 163 HB3 LYS 20 HB3 LYS 20 10.220 6.064 -7.851 164 HG2 LYS 20 HG2 LYS 20 11.916 7.775 -7.200 165 HG3 LYS 20 HG3 LYS 20 13.170 6.714 -7.847 166 HD2 LYS 20 HD2 LYS 20 10.820 7.841 -9.438 167 HD3 LYS 20 HD3 LYS 20 12.472 8.475 -9.489 168 HE2 LYS 20 HE2 LYS 20 13.252 6.279 -10.389 169 HE3 LYS 20 HE3 LYS 20 11.584 5.703 -10.379 170 HZ1 LYS 20 HZ1 LYS 20 12.557 8.032 -11.948 171 HZ2 LYS 20 HZ2 LYS 20 11.009 7.368 -11.990 172 HZ3 LYS 20 HZ3 LYS 20 12.318 6.481 -12.570 173 H GLU 21 H GLU 21 9.203 6.388 -5.532 174 HA GLU 21 HA GLU 21 10.385 8.693 -4.337 175 HB2 GLU 21 HB2 GLU 21 8.257 8.626 -5.704 176 HB3 GLU 21 HB3 GLU 21 7.459 7.866 -4.333 177 HG2 GLU 21 HG2 GLU 21 6.997 10.267 -4.447 178 HG3 GLU 21 HG3 GLU 21 7.862 9.852 -2.968 179 H VAL 22 H VAL 22 8.895 5.752 -3.037 180 HA VAL 22 HA VAL 22 8.613 6.504 -0.321 181 HB VAL 22 HB VAL 22 9.118 3.740 -1.547 182 HG11 VAL 22 HG11 VAL 22 8.275 4.384 1.306 183 HG12 VAL 22 HG12 VAL 22 9.807 3.659 0.808 184 HG13 VAL 22 HG13 VAL 22 8.298 2.771 0.591 185 HG21 VAL 22 HG21 VAL 22 6.547 5.014 -0.556 186 HG22 VAL 22 HG22 VAL 22 6.701 3.374 -1.191 187 HG23 VAL 22 HG23 VAL 22 6.993 4.758 -2.241 188 H GLN 23 H GLN 23 11.259 5.049 -2.138 189 HA GLN 23 HA GLN 23 13.118 4.668 -0.041 190 HB2 GLN 23 HB2 GLN 23 13.588 5.033 -3.033 191 HB3 GLN 23 HB3 GLN 23 14.770 4.388 -1.893 192 HG2 GLN 23 HG2 GLN 23 13.486 2.404 -1.519 193 HG3 GLN 23 HG3 GLN 23 12.066 3.091 -2.313 194 HE21 GLN 23 HE21 GLN 23 11.865 1.435 -3.807 195 HE22 GLN 23 HE22 GLN 23 12.991 1.182 -5.093 196 H LYS 24 H LYS 24 12.375 7.425 -2.102 197 HA LYS 24 HA LYS 24 14.637 9.036 -1.285 198 HB2 LYS 24 HB2 LYS 24 12.092 9.776 -2.799 199 HB3 LYS 24 HB3 LYS 24 13.433 10.881 -2.517 200 HG2 LYS 24 HG2 LYS 24 13.521 8.333 -4.160 201 HG3 LYS 24 HG3 LYS 24 13.536 9.983 -4.782 202 HD2 LYS 24 HD2 LYS 24 15.732 10.349 -3.606 203 HD3 LYS 24 HD3 LYS 24 15.712 8.653 -3.115 204 HE2 LYS 24 HE2 LYS 24 15.734 7.985 -5.511 205 HE3 LYS 24 HE3 LYS 24 15.808 9.688 -5.973 206 HZ1 LYS 24 HZ1 LYS 24 17.993 8.593 -5.973 207 HZ2 LYS 24 HZ2 LYS 24 17.848 8.293 -4.319 208 HZ3 LYS 24 HZ3 LYS 24 17.934 9.883 -4.880 209 H HIS 25 H HIS 25 11.351 8.523 -0.142 210 HA HIS 25 HA HIS 25 11.349 10.844 1.627 211 HB2 HIS 25 HB2 HIS 25 9.225 10.042 0.599 212 HB3 HIS 25 HB3 HIS 25 9.370 8.518 1.468 213 HD2 HIS 25 HD2 HIS 25 8.668 8.625 4.191 214 HE1 HIS 25 HE1 HIS 25 7.373 12.642 4.119 215 HE2 HIS 25 HE2 HIS 25 7.568 10.547 5.522 216 H ASP 26 H ASP 26 12.217 7.462 1.800 217 HA ASP 26 HA ASP 26 13.640 7.810 4.241 218 HB2 ASP 26 HB2 ASP 26 11.292 7.602 5.147 219 HB3 ASP 26 HB3 ASP 26 11.180 6.006 4.426 220 HA PRO 27 HA PRO 27 15.660 4.514 1.922 221 HB2 PRO 27 HB2 PRO 27 17.892 4.172 3.423 222 HB3 PRO 27 HB3 PRO 27 17.589 5.696 2.557 223 HG2 PRO 27 HG2 PRO 27 17.101 5.067 5.459 224 HG3 PRO 27 HG3 PRO 27 17.893 6.488 4.740 225 HD2 PRO 27 HD2 PRO 27 15.267 6.496 5.525 226 HD3 PRO 27 HD3 PRO 27 15.877 7.502 4.193 227 H ASN 28 H ASN 28 14.416 4.014 5.108 228 HA ASN 28 HA ASN 28 15.460 1.289 5.419 229 HB2 ASN 28 HB2 ASN 28 13.579 2.777 7.308 230 HB3 ASN 28 HB3 ASN 28 14.568 1.365 7.670 231 HD21 ASN 28 HD21 ASN 28 14.527 4.806 7.246 232 HD22 ASN 28 HD22 ASN 28 16.114 5.106 7.863 233 H VAL 29 H VAL 29 12.463 2.936 4.591 234 HA VAL 29 HA VAL 29 10.683 0.734 4.986 235 HB VAL 29 HB VAL 29 10.235 3.036 3.028 236 HG11 VAL 29 HG11 VAL 29 8.624 1.181 2.799 237 HG12 VAL 29 HG12 VAL 29 7.829 2.613 3.457 238 HG13 VAL 29 HG13 VAL 29 8.253 1.270 4.522 239 HG21 VAL 29 HG21 VAL 29 10.838 3.965 5.207 240 HG22 VAL 29 HG22 VAL 29 9.612 2.972 5.992 241 HG23 VAL 29 HG23 VAL 29 9.129 4.244 4.868 242 H LYS 30 H LYS 30 10.500 -1.055 3.782 243 HA LYS 30 HA LYS 30 11.715 -1.147 1.096 244 HB2 LYS 30 HB2 LYS 30 11.240 -3.286 3.172 245 HB3 LYS 30 HB3 LYS 30 11.446 -3.718 1.470 246 HG2 LYS 30 HG2 LYS 30 13.589 -2.216 1.604 247 HG3 LYS 30 HG3 LYS 30 13.431 -2.440 3.347 248 HD2 LYS 30 HD2 LYS 30 13.595 -4.703 1.324 249 HD3 LYS 30 HD3 LYS 30 14.957 -4.057 2.217 250 HE2 LYS 30 HE2 LYS 30 13.885 -4.738 4.347 251 HE3 LYS 30 HE3 LYS 30 12.520 -5.392 3.432 252 HZ1 LYS 30 HZ1 LYS 30 13.852 -7.062 2.515 253 HZ2 LYS 30 HZ2 LYS 30 14.325 -6.993 4.135 254 HZ3 LYS 30 HZ3 LYS 30 15.290 -6.294 2.947 255 H THR 31 H THR 31 10.718 -2.626 -0.426 256 HA THR 31 HA THR 31 7.801 -2.173 -0.598 257 HB THR 31 HB THR 31 8.218 -1.298 -2.961 258 HG1 THR 31 HG1 THR 31 10.732 -1.978 -2.345 259 HG21 THR 31 HG21 THR 31 8.851 0.993 -2.299 260 HG22 THR 31 HG22 THR 31 9.429 0.398 -0.739 261 HG23 THR 31 HG23 THR 31 7.712 0.304 -1.140 262 H VAL 32 H VAL 32 6.761 -3.903 -1.448 263 HA VAL 32 HA VAL 32 8.302 -6.008 -2.876 264 HB VAL 32 HB VAL 32 6.001 -6.426 -0.911 265 HG11 VAL 32 HG11 VAL 32 6.001 -8.142 -2.690 266 HG12 VAL 32 HG12 VAL 32 6.442 -8.847 -1.136 267 HG13 VAL 32 HG13 VAL 32 7.690 -8.519 -2.341 268 HG21 VAL 32 HG21 VAL 32 8.074 -5.786 0.264 269 HG22 VAL 32 HG22 VAL 32 8.951 -7.084 -0.550 270 HG23 VAL 32 HG23 VAL 32 7.662 -7.471 0.592 271 HA PRO 33 HA PRO 33 4.974 -5.364 -5.934 272 HB2 PRO 33 HB2 PRO 33 5.884 -6.994 -7.890 273 HB3 PRO 33 HB3 PRO 33 6.747 -5.500 -7.472 274 HG2 PRO 33 HG2 PRO 33 7.370 -8.321 -6.652 275 HG3 PRO 33 HG3 PRO 33 8.472 -7.055 -7.241 276 HD2 PRO 33 HD2 PRO 33 8.134 -7.634 -4.569 277 HD3 PRO 33 HD3 PRO 33 8.627 -6.038 -5.176 278 H THR 34 H THR 34 3.573 -6.881 -7.362 279 HA THR 34 HA THR 34 1.908 -8.425 -5.671 280 HB THR 34 HB THR 34 0.586 -8.920 -7.694 281 HG1 THR 34 HG1 THR 34 1.386 -8.522 -9.727 282 HG21 THR 34 HG21 THR 34 0.325 -6.650 -6.779 283 HG22 THR 34 HG22 THR 34 0.173 -6.633 -8.534 284 HG23 THR 34 HG23 THR 34 1.667 -6.076 -7.770 285 H LYS 35 H LYS 35 4.439 -9.303 -7.910 286 HA LYS 35 HA LYS 35 3.921 -11.975 -8.513 287 HB2 LYS 35 HB2 LYS 35 6.641 -10.657 -8.140 288 HB3 LYS 35 HB3 LYS 35 6.339 -12.139 -9.041 289 HG2 LYS 35 HG2 LYS 35 5.125 -10.918 -10.754 290 HG3 LYS 35 HG3 LYS 35 5.213 -9.423 -9.817 291 HD2 LYS 35 HD2 LYS 35 7.601 -10.927 -10.987 292 HD3 LYS 35 HD3 LYS 35 6.905 -9.438 -11.635 293 HE2 LYS 35 HE2 LYS 35 7.498 -8.258 -9.526 294 HE3 LYS 35 HE3 LYS 35 8.216 -9.745 -8.904 295 HZ1 LYS 35 HZ1 LYS 35 9.881 -8.230 -9.806 296 HZ2 LYS 35 HZ2 LYS 35 9.140 -8.285 -11.323 297 HZ3 LYS 35 HZ3 LYS 35 9.844 -9.677 -10.674 298 H ASP 36 H ASP 36 5.618 -10.545 -5.793 299 HA ASP 36 HA ASP 36 6.498 -13.092 -4.676 300 HB2 ASP 36 HB2 ASP 36 6.938 -10.192 -3.825 301 HB3 ASP 36 HB3 ASP 36 7.673 -11.577 -3.026 302 H LYS 37 H LYS 37 3.737 -12.981 -4.677 303 HA LYS 37 HA LYS 37 2.343 -11.648 -2.687 304 HB2 LYS 37 HB2 LYS 37 1.205 -12.696 -4.563 305 HB3 LYS 37 HB3 LYS 37 1.742 -14.294 -4.059 306 HG2 LYS 37 HG2 LYS 37 -0.597 -14.049 -3.504 307 HG3 LYS 37 HG3 LYS 37 0.339 -14.091 -2.008 308 HD2 LYS 37 HD2 LYS 37 0.213 -11.555 -1.968 309 HD3 LYS 37 HD3 LYS 37 -0.894 -11.652 -3.342 310 HE2 LYS 37 HE2 LYS 37 -1.342 -12.827 -0.578 311 HE3 LYS 37 HE3 LYS 37 -2.155 -11.421 -1.260 312 HZ1 LYS 37 HZ1 LYS 37 -2.415 -14.243 -2.145 313 HZ2 LYS 37 HZ2 LYS 37 -3.074 -12.939 -2.985 314 HZ3 LYS 37 HZ3 LYS 37 -3.606 -13.287 -1.420 315 H GLU 38 H GLU 38 3.598 -15.000 -2.538 316 HA GLU 38 HA GLU 38 2.646 -15.551 0.110 317 HB2 GLU 38 HB2 GLU 38 4.870 -16.971 -1.415 318 HB3 GLU 38 HB3 GLU 38 3.966 -17.610 -0.042 319 HG2 GLU 38 HG2 GLU 38 1.905 -17.615 -1.420 320 HG3 GLU 38 HG3 GLU 38 2.828 -16.990 -2.782 321 H LYS 39 H LYS 39 5.576 -14.286 -1.287 322 HA LYS 39 HA LYS 39 7.268 -14.485 0.998 323 HB2 LYS 39 HB2 LYS 39 7.525 -12.812 -1.541 324 HB3 LYS 39 HB3 LYS 39 8.794 -12.979 -0.330 325 HG2 LYS 39 HG2 LYS 39 8.855 -15.442 -0.782 326 HG3 LYS 39 HG3 LYS 39 7.635 -15.213 -2.032 327 HD2 LYS 39 HD2 LYS 39 9.709 -15.341 -3.196 328 HD3 LYS 39 HD3 LYS 39 9.283 -13.633 -3.189 329 HE2 LYS 39 HE2 LYS 39 11.266 -14.932 -1.288 330 HE3 LYS 39 HE3 LYS 39 11.700 -14.057 -2.753 331 HZ1 LYS 39 HZ1 LYS 39 11.955 -12.633 -0.870 332 HZ2 LYS 39 HZ2 LYS 39 10.380 -12.929 -0.344 333 HZ3 LYS 39 HZ3 LYS 39 10.643 -12.070 -1.771 334 H VAL 40 H VAL 40 4.933 -12.076 -0.125 335 HA VAL 40 HA VAL 40 5.738 -9.767 1.216 336 HB VAL 40 HB VAL 40 2.824 -10.676 0.919 337 HG11 VAL 40 HG11 VAL 40 4.000 -7.896 1.303 338 HG12 VAL 40 HG12 VAL 40 3.072 -8.819 2.490 339 HG13 VAL 40 HG13 VAL 40 2.294 -8.254 1.012 340 HG21 VAL 40 HG21 VAL 40 3.891 -10.672 -1.291 341 HG22 VAL 40 HG22 VAL 40 4.457 -9.023 -1.040 342 HG23 VAL 40 HG23 VAL 40 2.728 -9.352 -1.169 343 H LYS 41 H LYS 41 3.784 -12.481 2.339 344 HA LYS 41 HA LYS 41 2.976 -11.684 4.861 345 HB2 LYS 41 HB2 LYS 41 2.120 -13.637 3.636 346 HB3 LYS 41 HB3 LYS 41 3.670 -14.453 3.797 347 HG2 LYS 41 HG2 LYS 41 3.354 -14.623 6.221 348 HG3 LYS 41 HG3 LYS 41 1.837 -13.723 6.100 349 HD2 LYS 41 HD2 LYS 41 0.909 -15.543 4.654 350 HD3 LYS 41 HD3 LYS 41 2.403 -16.457 4.876 351 HE2 LYS 41 HE2 LYS 41 1.971 -16.674 7.254 352 HE3 LYS 41 HE3 LYS 41 0.578 -15.596 7.141 353 HZ1 LYS 41 HZ1 LYS 41 0.796 -18.247 5.815 354 HZ2 LYS 41 HZ2 LYS 41 -0.543 -17.215 5.772 355 HZ3 LYS 41 HZ3 LYS 41 -0.073 -17.922 7.229 356 H GLU 42 H GLU 42 5.968 -13.307 3.872 357 HA GLU 42 HA GLU 42 7.123 -13.562 6.465 358 HB2 GLU 42 HB2 GLU 42 8.456 -13.538 3.723 359 HB3 GLU 42 HB3 GLU 42 9.226 -14.059 5.216 360 HG2 GLU 42 HG2 GLU 42 6.889 -15.389 3.823 361 HG3 GLU 42 HG3 GLU 42 8.549 -15.980 3.901 362 H GLU 43 H GLU 43 7.321 -11.116 3.894 363 HA GLU 43 HA GLU 43 9.418 -9.598 5.102 364 HB2 GLU 43 HB2 GLU 43 7.549 -8.793 2.848 365 HB3 GLU 43 HB3 GLU 43 9.022 -7.947 3.311 366 HG2 GLU 43 HG2 GLU 43 8.785 -10.703 2.082 367 HG3 GLU 43 HG3 GLU 43 9.515 -9.271 1.369 368 H ILE 44 H ILE 44 6.001 -9.597 5.492 369 HA ILE 44 HA ILE 44 5.684 -7.025 6.725 370 HB ILE 44 HB ILE 44 3.987 -9.562 6.783 371 HG12 ILE 44 HG12 ILE 44 3.529 -6.864 5.424 372 HG13 ILE 44 HG13 ILE 44 4.059 -8.337 4.622 373 HG21 ILE 44 HG21 ILE 44 3.230 -6.903 8.043 374 HG22 ILE 44 HG22 ILE 44 3.591 -8.391 8.917 375 HG23 ILE 44 HG23 ILE 44 2.170 -8.306 7.878 376 HD11 ILE 44 HD11 ILE 44 1.380 -7.868 5.924 377 HD12 ILE 44 HD12 ILE 44 1.917 -9.398 5.222 378 HD13 ILE 44 HD13 ILE 44 1.738 -7.976 4.201 379 H GLU 45 H GLU 45 6.410 -10.317 7.860 380 HA GLU 45 HA GLU 45 6.545 -9.738 10.651 381 HB2 GLU 45 HB2 GLU 45 6.296 -12.050 9.768 382 HB3 GLU 45 HB3 GLU 45 7.909 -11.963 9.072 383 HG2 GLU 45 HG2 GLU 45 8.849 -11.679 11.358 384 HG3 GLU 45 HG3 GLU 45 7.232 -11.867 12.031 385 H LYS 46 H LYS 46 8.878 -9.588 7.973 386 HA LYS 46 HA LYS 46 11.230 -9.040 9.472 387 HB2 LYS 46 HB2 LYS 46 10.633 -7.990 6.672 388 HB3 LYS 46 HB3 LYS 46 12.217 -8.192 7.408 389 HG2 LYS 46 HG2 LYS 46 10.330 -10.347 6.449 390 HG3 LYS 46 HG3 LYS 46 11.902 -9.920 5.787 391 HD2 LYS 46 HD2 LYS 46 12.916 -10.700 7.984 392 HD3 LYS 46 HD3 LYS 46 11.309 -11.292 8.420 393 HE2 LYS 46 HE2 LYS 46 13.019 -12.223 6.085 394 HE3 LYS 46 HE3 LYS 46 12.587 -13.147 7.524 395 HZ1 LYS 46 HZ1 LYS 46 10.227 -12.892 6.808 396 HZ2 LYS 46 HZ2 LYS 46 11.178 -13.856 5.796 397 HZ3 LYS 46 HZ3 LYS 46 10.791 -12.274 5.337 398 H ALA 47 H ALA 47 8.702 -7.008 8.089 399 HA ALA 47 HA ALA 47 9.722 -4.449 8.661 400 HB1 ALA 47 HB1 ALA 47 7.882 -4.864 7.070 401 HB2 ALA 47 HB2 ALA 47 7.407 -3.680 8.288 402 HB3 ALA 47 HB3 ALA 47 6.825 -5.344 8.398 403 H ARG 48 H ARG 48 7.623 -6.636 10.547 404 HA ARG 48 HA ARG 48 7.140 -4.998 12.794 405 HB2 ARG 48 HB2 ARG 48 7.325 -8.033 12.607 406 HB3 ARG 48 HB3 ARG 48 6.743 -7.169 14.027 407 HG2 ARG 48 HG2 ARG 48 4.857 -6.271 12.718 408 HG3 ARG 48 HG3 ARG 48 5.441 -7.125 11.285 409 HD2 ARG 48 HD2 ARG 48 3.630 -8.383 12.347 410 HD3 ARG 48 HD3 ARG 48 5.143 -9.284 12.454 411 HE ARG 48 HE ARG 48 4.607 -7.666 14.784 412 HH11 ARG 48 HH11 ARG 48 3.955 -10.817 13.314 413 HH12 ARG 48 HH12 ARG 48 3.612 -11.574 14.835 414 HH21 ARG 48 HH21 ARG 48 4.135 -8.699 16.757 415 HH22 ARG 48 HH22 ARG 48 3.709 -10.381 16.784 416 H LYS 49 H LYS 49 9.713 -7.343 12.102 417 HA LYS 49 HA LYS 49 10.989 -7.303 14.634 418 HB2 LYS 49 HB2 LYS 49 11.119 -9.052 12.682 419 HB3 LYS 49 HB3 LYS 49 12.370 -8.026 12.006 420 HG2 LYS 49 HG2 LYS 49 12.524 -9.257 14.778 421 HG3 LYS 49 HG3 LYS 49 13.162 -10.041 13.337 422 HD2 LYS 49 HD2 LYS 49 14.752 -8.184 13.013 423 HD3 LYS 49 HD3 LYS 49 14.074 -7.341 14.407 424 HE2 LYS 49 HE2 LYS 49 14.800 -9.256 15.852 425 HE3 LYS 49 HE3 LYS 49 15.566 -9.988 14.441 426 HZ1 LYS 49 HZ1 LYS 49 16.250 -7.327 15.574 427 HZ2 LYS 49 HZ2 LYS 49 17.009 -8.072 14.259 428 HZ3 LYS 49 HZ3 LYS 49 17.143 -8.745 15.803 429 H GLN 50 H GLN 50 11.528 -5.542 11.610 430 HA GLN 50 HA GLN 50 13.857 -4.081 12.529 431 HB2 GLN 50 HB2 GLN 50 12.158 -3.883 9.998 432 HB3 GLN 50 HB3 GLN 50 13.564 -2.868 10.294 433 HG2 GLN 50 HG2 GLN 50 13.592 -5.892 10.076 434 HG3 GLN 50 HG3 GLN 50 14.083 -4.768 8.812 435 HE21 GLN 50 HE21 GLN 50 15.626 -6.887 10.141 436 HE22 GLN 50 HE22 GLN 50 17.011 -6.120 10.829 437 H GLY 51 H GLY 51 10.493 -3.699 12.946 438 HA2 GLY 51 HA2 GLY 51 9.202 -2.056 13.885 439 HA3 GLY 51 HA3 GLY 51 10.683 -1.232 14.341 440 H ARG 52 H ARG 52 9.913 -2.018 11.032 441 HA ARG 52 HA ARG 52 9.487 0.834 10.359 442 HB2 ARG 52 HB2 ARG 52 11.296 -1.241 9.062 443 HB3 ARG 52 HB3 ARG 52 10.699 0.124 8.125 444 HG2 ARG 52 HG2 ARG 52 12.337 0.344 10.673 445 HG3 ARG 52 HG3 ARG 52 12.961 0.527 9.031 446 HD2 ARG 52 HD2 ARG 52 11.476 2.478 8.678 447 HD3 ARG 52 HD3 ARG 52 10.853 2.302 10.322 448 HE ARG 52 HE ARG 52 13.437 2.565 10.825 449 HH11 ARG 52 HH11 ARG 52 11.383 4.441 8.673 450 HH12 ARG 52 HH12 ARG 52 12.320 5.890 8.842 451 HH21 ARG 52 HH21 ARG 52 14.691 4.450 10.989 452 HH22 ARG 52 HH22 ARG 52 14.200 5.897 10.163 453 HA PRO 53 HA PRO 53 5.987 -0.707 7.959 454 HB2 PRO 53 HB2 PRO 53 5.613 1.285 6.150 455 HB3 PRO 53 HB3 PRO 53 5.299 1.529 7.883 456 HG2 PRO 53 HG2 PRO 53 7.734 2.289 6.297 457 HG3 PRO 53 HG3 PRO 53 6.807 3.264 7.458 458 HD2 PRO 53 HD2 PRO 53 9.105 1.987 8.164 459 HD3 PRO 53 HD3 PRO 53 7.770 2.235 9.311 460 H ILE 54 H ILE 54 5.311 -1.158 5.692 461 HA ILE 54 HA ILE 54 7.440 -1.661 3.739 462 HB ILE 54 HB ILE 54 7.442 -3.763 4.940 463 HG12 ILE 54 HG12 ILE 54 5.842 -4.033 2.354 464 HG13 ILE 54 HG13 ILE 54 7.594 -4.052 2.519 465 HG21 ILE 54 HG21 ILE 54 5.307 -3.536 6.139 466 HG22 ILE 54 HG22 ILE 54 5.460 -5.129 5.396 467 HG23 ILE 54 HG23 ILE 54 4.430 -3.905 4.651 468 HD11 ILE 54 HD11 ILE 54 5.678 -6.160 3.512 469 HD12 ILE 54 HD12 ILE 54 7.426 -6.172 3.760 470 HD13 ILE 54 HD13 ILE 54 6.767 -6.269 2.131 471 H VAL 55 H VAL 55 6.722 -1.023 1.788 472 HA VAL 55 HA VAL 55 3.839 -0.530 1.385 473 HB VAL 55 HB VAL 55 6.193 0.589 -0.216 474 HG11 VAL 55 HG11 VAL 55 4.539 2.206 -1.100 475 HG12 VAL 55 HG12 VAL 55 3.257 1.375 -0.216 476 HG13 VAL 55 HG13 VAL 55 4.115 0.542 -1.514 477 HG21 VAL 55 HG21 VAL 55 6.270 1.412 2.110 478 HG22 VAL 55 HG22 VAL 55 4.598 1.960 1.982 479 HG23 VAL 55 HG23 VAL 55 5.850 2.709 0.990 480 H VAL 56 H VAL 56 2.895 -2.238 0.435 481 HA VAL 56 HA VAL 56 4.291 -3.889 -1.552 482 HB VAL 56 HB VAL 56 1.496 -4.276 -0.348 483 HG11 VAL 56 HG11 VAL 56 1.731 -6.621 -1.144 484 HG12 VAL 56 HG12 VAL 56 3.277 -6.217 -1.894 485 HG13 VAL 56 HG13 VAL 56 1.790 -5.468 -2.479 486 HG21 VAL 56 HG21 VAL 56 4.132 -5.542 0.535 487 HG22 VAL 56 HG22 VAL 56 2.532 -5.938 1.166 488 HG23 VAL 56 HG23 VAL 56 3.208 -4.331 1.431 489 H PHE 57 H PHE 57 4.093 -3.291 -3.632 490 HA PHE 57 HA PHE 57 1.916 -1.565 -4.517 491 HB2 PHE 57 HB2 PHE 57 4.434 -2.592 -5.894 492 HB3 PHE 57 HB3 PHE 57 3.214 -1.599 -6.708 493 HD1 PHE 57 HD1 PHE 57 2.687 0.685 -5.848 494 HD2 PHE 57 HD2 PHE 57 6.005 -1.570 -4.360 495 HE1 PHE 57 HE1 PHE 57 3.614 2.726 -4.843 496 HE2 PHE 57 HE2 PHE 57 6.932 0.488 -3.378 497 HZ PHE 57 HZ PHE 57 5.737 2.629 -3.602 498 H VAL 58 H VAL 58 0.136 -2.512 -4.805 499 HA VAL 58 HA VAL 58 -0.176 -5.104 -6.161 500 HB VAL 58 HB VAL 58 -2.264 -3.438 -4.662 501 HG11 VAL 58 HG11 VAL 58 -3.596 -5.514 -4.615 502 HG12 VAL 58 HG12 VAL 58 -2.344 -6.350 -5.537 503 HG13 VAL 58 HG13 VAL 58 -3.243 -5.022 -6.273 504 HG21 VAL 58 HG21 VAL 58 -1.985 -4.979 -2.747 505 HG22 VAL 58 HG22 VAL 58 -0.486 -4.112 -3.090 506 HG23 VAL 58 HG23 VAL 58 -0.663 -5.795 -3.588 507 H ARG 59 H ARG 59 -1.538 -5.168 -8.101 508 HA ARG 59 HA ARG 59 -1.903 -2.638 -9.510 509 HB2 ARG 59 HB2 ARG 59 -2.440 -5.530 -10.250 510 HB3 ARG 59 HB3 ARG 59 -3.022 -4.212 -11.260 511 HG2 ARG 59 HG2 ARG 59 -0.679 -3.441 -11.587 512 HG3 ARG 59 HG3 ARG 59 -0.107 -4.792 -10.604 513 HD2 ARG 59 HD2 ARG 59 -0.895 -6.402 -12.219 514 HD3 ARG 59 HD3 ARG 59 -1.765 -5.165 -13.125 515 HE ARG 59 HE ARG 59 1.083 -4.692 -13.034 516 HH11 ARG 59 HH11 ARG 59 -1.420 -6.540 -14.711 517 HH12 ARG 59 HH12 ARG 59 -0.494 -6.698 -16.166 518 HH21 ARG 59 HH21 ARG 59 2.261 -4.890 -15.007 519 HH22 ARG 59 HH22 ARG 59 1.573 -5.773 -16.334 520 H GLY 60 H GLY 60 -4.035 -2.117 -10.488 521 HA2 GLY 60 HA2 GLY 60 -5.976 -1.794 -8.373 522 HA3 GLY 60 HA3 GLY 60 -6.013 -1.061 -9.968 523 H GLY 61 H GLY 61 -5.559 -4.255 -10.563 524 HA2 GLY 61 HA2 GLY 61 -8.426 -5.028 -10.383 525 HA3 GLY 61 HA3 GLY 61 -7.395 -5.442 -11.752 526 H ASP 62 H ASP 62 -6.030 -5.438 -8.571 527 HA ASP 62 HA ASP 62 -6.136 -8.390 -8.338 528 HB2 ASP 62 HB2 ASP 62 -3.651 -6.622 -8.309 529 HB3 ASP 62 HB3 ASP 62 -3.653 -8.220 -7.568 530 H ASP 63 H ASP 63 -7.707 -6.515 -7.065 531 HA ASP 63 HA ASP 63 -7.045 -5.667 -4.513 532 HB2 ASP 63 HB2 ASP 63 -9.730 -6.629 -5.601 533 HB3 ASP 63 HB3 ASP 63 -9.534 -5.821 -4.047 534 H GLU 64 H GLU 64 -7.894 -8.915 -5.611 535 HA GLU 64 HA GLU 64 -8.538 -10.134 -3.161 536 HB2 GLU 64 HB2 GLU 64 -7.273 -11.373 -5.635 537 HB3 GLU 64 HB3 GLU 64 -7.942 -12.294 -4.293 538 HG2 GLU 64 HG2 GLU 64 -9.482 -10.418 -6.098 539 HG3 GLU 64 HG3 GLU 64 -9.495 -12.177 -6.191 540 H ARG 65 H ARG 65 -5.372 -9.600 -4.713 541 HA ARG 65 HA ARG 65 -3.801 -11.003 -2.790 542 HB2 ARG 65 HB2 ARG 65 -2.871 -8.594 -4.429 543 HB3 ARG 65 HB3 ARG 65 -1.862 -9.841 -3.700 544 HG2 ARG 65 HG2 ARG 65 -2.880 -11.506 -5.262 545 HG3 ARG 65 HG3 ARG 65 -3.763 -10.186 -6.029 546 HD2 ARG 65 HD2 ARG 65 -1.389 -9.119 -6.360 547 HD3 ARG 65 HD3 ARG 65 -0.798 -10.758 -6.059 548 HE ARG 65 HE ARG 65 -2.851 -10.389 -8.113 549 HH11 ARG 65 HH11 ARG 65 0.547 -11.045 -7.446 550 HH12 ARG 65 HH12 ARG 65 0.884 -11.565 -9.066 551 HH21 ARG 65 HH21 ARG 65 -2.363 -10.953 -10.245 552 HH22 ARG 65 HH22 ARG 65 -0.767 -11.511 -10.654 553 H ALA 66 H ALA 66 -4.766 -7.616 -3.158 554 HA ALA 66 HA ALA 66 -3.302 -6.416 -1.121 555 HB1 ALA 66 HB1 ALA 66 -4.913 -4.567 -1.278 556 HB2 ALA 66 HB2 ALA 66 -6.033 -5.606 -2.167 557 HB3 ALA 66 HB3 ALA 66 -4.477 -5.168 -2.878 558 H LYS 67 H LYS 67 -6.646 -7.689 -0.972 559 HA LYS 67 HA LYS 67 -7.123 -6.852 1.712 560 HB2 LYS 67 HB2 LYS 67 -9.234 -8.116 1.542 561 HB3 LYS 67 HB3 LYS 67 -8.960 -7.115 0.122 562 HG2 LYS 67 HG2 LYS 67 -8.096 -9.201 -1.055 563 HG3 LYS 67 HG3 LYS 67 -8.668 -10.125 0.335 564 HD2 LYS 67 HD2 LYS 67 -10.322 -10.195 -1.478 565 HD3 LYS 67 HD3 LYS 67 -10.981 -9.331 -0.086 566 HE2 LYS 67 HE2 LYS 67 -10.507 -7.177 -1.207 567 HE3 LYS 67 HE3 LYS 67 -9.822 -8.045 -2.583 568 HZ1 LYS 67 HZ1 LYS 67 -11.988 -9.061 -2.966 569 HZ2 LYS 67 HZ2 LYS 67 -12.091 -7.376 -3.029 570 HZ3 LYS 67 HZ3 LYS 67 -12.646 -8.205 -1.665 571 H ASP 68 H ASP 68 -5.841 -9.830 0.341 572 HA ASP 68 HA ASP 68 -5.918 -11.469 2.669 573 HB2 ASP 68 HB2 ASP 68 -4.055 -11.469 0.259 574 HB3 ASP 68 HB3 ASP 68 -3.950 -12.678 1.530 575 H ILE 69 H ILE 69 -3.333 -9.498 1.267 576 HA ILE 69 HA ILE 69 -1.383 -9.757 3.284 577 HB ILE 69 HB ILE 69 -1.852 -7.535 1.235 578 HG12 ILE 69 HG12 ILE 69 0.093 -9.887 1.058 579 HG13 ILE 69 HG13 ILE 69 -1.509 -9.896 0.333 580 HG21 ILE 69 HG21 ILE 69 -0.384 -6.705 3.012 581 HG22 ILE 69 HG22 ILE 69 0.521 -6.929 1.515 582 HG23 ILE 69 HG23 ILE 69 0.670 -8.107 2.817 583 HD11 ILE 69 HD11 ILE 69 0.752 -8.028 -0.388 584 HD12 ILE 69 HD12 ILE 69 -0.867 -8.008 -1.093 585 HD13 ILE 69 HD13 ILE 69 0.175 -9.411 -1.319 586 H ALA 70 H ALA 70 -4.136 -7.646 2.902 587 HA ALA 70 HA ALA 70 -3.510 -5.642 4.831 588 HB1 ALA 70 HB1 ALA 70 -5.025 -5.295 2.904 589 HB2 ALA 70 HB2 ALA 70 -5.799 -4.891 4.432 590 HB3 ALA 70 HB3 ALA 70 -6.189 -6.410 3.617 591 H GLU 71 H GLU 71 -5.672 -8.500 4.832 592 HA GLU 71 HA GLU 71 -6.701 -8.204 7.438 593 HB2 GLU 71 HB2 GLU 71 -7.703 -9.744 5.756 594 HB3 GLU 71 HB3 GLU 71 -6.295 -10.797 5.880 595 HG2 GLU 71 HG2 GLU 71 -6.836 -11.100 8.333 596 HG3 GLU 71 HG3 GLU 71 -8.325 -10.198 8.065 597 H TYR 72 H TYR 72 -3.898 -9.954 6.174 598 HA TYR 72 HA TYR 72 -3.069 -11.194 8.572 599 HB2 TYR 72 HB2 TYR 72 -2.263 -11.989 6.392 600 HB3 TYR 72 HB3 TYR 72 -1.461 -10.453 6.085 601 HD1 TYR 72 HD1 TYR 72 -1.436 -13.338 8.511 602 HD2 TYR 72 HD2 TYR 72 0.841 -10.219 6.681 603 HE1 TYR 72 HE1 TYR 72 0.606 -14.185 9.590 604 HE2 TYR 72 HE2 TYR 72 2.877 -11.068 7.759 605 HH TYR 72 HH TYR 72 3.471 -12.430 9.768 606 H ALA 73 H ALA 73 -2.137 -8.136 7.017 607 HA ALA 73 HA ALA 73 -0.102 -7.322 8.764 608 HB1 ALA 73 HB1 ALA 73 -0.469 -6.330 6.560 609 HB2 ALA 73 HB2 ALA 73 -0.470 -5.079 7.808 610 HB3 ALA 73 HB3 ALA 73 -1.994 -5.633 7.105 611 H GLN 74 H GLN 74 -3.583 -6.393 8.760 612 HA GLN 74 HA GLN 74 -3.528 -4.843 11.126 613 HB2 GLN 74 HB2 GLN 74 -5.390 -4.635 9.541 614 HB3 GLN 74 HB3 GLN 74 -5.863 -6.307 9.821 615 HG2 GLN 74 HG2 GLN 74 -6.443 -5.756 12.159 616 HG3 GLN 74 HG3 GLN 74 -5.950 -4.090 11.897 617 HE21 GLN 74 HE21 GLN 74 -7.140 -3.668 9.371 618 HE22 GLN 74 HE22 GLN 74 -8.855 -3.693 9.580 619 H LYS 75 H LYS 75 -3.904 -8.281 10.555 620 HA LYS 75 HA LYS 75 -4.731 -9.093 13.160 621 HB2 LYS 75 HB2 LYS 75 -5.024 -10.413 11.051 622 HB3 LYS 75 HB3 LYS 75 -3.289 -10.699 11.004 623 HG2 LYS 75 HG2 LYS 75 -3.418 -12.019 13.063 624 HG3 LYS 75 HG3 LYS 75 -5.133 -11.639 13.234 625 HD2 LYS 75 HD2 LYS 75 -3.884 -13.239 10.962 626 HD3 LYS 75 HD3 LYS 75 -4.799 -13.915 12.310 627 HE2 LYS 75 HE2 LYS 75 -6.811 -12.677 11.548 628 HE3 LYS 75 HE3 LYS 75 -5.888 -12.020 10.195 629 HZ1 LYS 75 HZ1 LYS 75 -6.503 -14.888 10.662 630 HZ2 LYS 75 HZ2 LYS 75 -5.572 -14.289 9.392 631 HZ3 LYS 75 HZ3 LYS 75 -7.212 -13.893 9.492 632 H GLU 76 H GLU 76 -1.553 -8.497 11.665 633 HA GLU 76 HA GLU 76 0.017 -9.516 13.873 634 HB2 GLU 76 HB2 GLU 76 0.793 -7.579 11.641 635 HB3 GLU 76 HB3 GLU 76 1.916 -8.370 12.737 636 HG2 GLU 76 HG2 GLU 76 0.181 -9.752 10.679 637 HG3 GLU 76 HG3 GLU 76 1.896 -9.418 10.521 638 H GLY 77 H GLY 77 -1.912 -6.784 13.495 639 HA2 GLY 77 HA2 GLY 77 -2.403 -5.173 15.098 640 HA3 GLY 77 HA3 GLY 77 -0.881 -5.504 15.918 641 H LEU 78 H LEU 78 -1.211 -4.903 12.477 642 HA LEU 78 HA LEU 78 0.387 -2.422 12.720 643 HB2 LEU 78 HB2 LEU 78 0.106 -4.145 10.215 644 HB3 LEU 78 HB3 LEU 78 1.289 -2.882 10.528 645 HG LEU 78 HG LEU 78 1.201 -5.643 11.805 646 HD11 LEU 78 HD11 LEU 78 3.316 -6.031 10.646 647 HD12 LEU 78 HD12 LEU 78 3.225 -4.430 9.905 648 HD13 LEU 78 HD13 LEU 78 2.022 -5.659 9.508 649 HD21 LEU 78 HD21 LEU 78 3.180 -3.413 12.340 650 HD22 LEU 78 HD22 LEU 78 3.296 -5.072 12.937 651 HD23 LEU 78 HD23 LEU 78 1.975 -4.038 13.467 652 H ARG 79 H ARG 79 -0.286 -0.564 11.600 653 HA ARG 79 HA ARG 79 -3.024 -0.341 10.770 654 HB2 ARG 79 HB2 ARG 79 -0.671 1.563 10.772 655 HB3 ARG 79 HB3 ARG 79 -2.134 2.002 9.900 656 HG2 ARG 79 HG2 ARG 79 -2.061 1.317 12.850 657 HG3 ARG 79 HG3 ARG 79 -1.954 2.953 12.200 658 HD2 ARG 79 HD2 ARG 79 -4.235 2.587 12.874 659 HD3 ARG 79 HD3 ARG 79 -4.198 2.600 11.109 660 HE ARG 79 HE ARG 79 -4.128 0.025 12.530 661 HH11 ARG 79 HH11 ARG 79 -5.957 2.226 10.455 662 HH12 ARG 79 HH12 ARG 79 -7.146 1.019 10.051 663 HH21 ARG 79 HH21 ARG 79 -5.712 -1.506 12.020 664 HH22 ARG 79 HH22 ARG 79 -7.004 -1.087 10.938 665 H VAL 80 H VAL 80 -3.818 -0.852 8.854 666 HA VAL 80 HA VAL 80 -2.035 -1.318 6.561 667 HB VAL 80 HB VAL 80 -5.016 -1.917 6.803 668 HG11 VAL 80 HG11 VAL 80 -4.670 -3.391 4.870 669 HG12 VAL 80 HG12 VAL 80 -2.966 -2.939 4.803 670 HG13 VAL 80 HG13 VAL 80 -4.212 -1.732 4.478 671 HG21 VAL 80 HG21 VAL 80 -3.781 -3.174 8.514 672 HG22 VAL 80 HG22 VAL 80 -2.693 -3.811 7.280 673 HG23 VAL 80 HG23 VAL 80 -4.401 -4.252 7.260 674 H ILE 81 H ILE 81 -1.745 0.386 5.274 675 HA ILE 81 HA ILE 81 -3.962 2.297 4.822 676 HB ILE 81 HB ILE 81 -0.943 2.669 4.737 677 HG12 ILE 81 HG12 ILE 81 -1.482 4.797 5.994 678 HG13 ILE 81 HG13 ILE 81 -3.183 4.360 5.961 679 HG21 ILE 81 HG21 ILE 81 -1.251 4.859 3.591 680 HG22 ILE 81 HG22 ILE 81 -2.937 4.448 3.294 681 HG23 ILE 81 HG23 ILE 81 -1.653 3.489 2.557 682 HD11 ILE 81 HD11 ILE 81 -1.005 2.829 7.370 683 HD12 ILE 81 HD12 ILE 81 -2.725 2.446 7.392 684 HD13 ILE 81 HD13 ILE 81 -2.144 3.941 8.123 685 H VAL 82 H VAL 82 -5.045 1.773 3.008 686 HA VAL 82 HA VAL 82 -3.658 0.492 0.725 687 HB VAL 82 HB VAL 82 -6.648 0.900 1.249 688 HG11 VAL 82 HG11 VAL 82 -7.040 -0.588 -0.677 689 HG12 VAL 82 HG12 VAL 82 -5.305 -0.652 -0.985 690 HG13 VAL 82 HG13 VAL 82 -6.175 0.874 -1.155 691 HG21 VAL 82 HG21 VAL 82 -5.689 -0.745 2.811 692 HG22 VAL 82 HG22 VAL 82 -5.008 -1.656 1.461 693 HG23 VAL 82 HG23 VAL 82 -6.762 -1.542 1.650 694 H ILE 83 H ILE 83 -2.931 1.945 -0.841 695 HA ILE 83 HA ILE 83 -4.467 4.459 -1.265 696 HB ILE 83 HB ILE 83 -1.523 3.914 -1.880 697 HG12 ILE 83 HG12 ILE 83 -2.805 5.670 0.265 698 HG13 ILE 83 HG13 ILE 83 -2.058 4.104 0.551 699 HG21 ILE 83 HG21 ILE 83 -3.109 6.498 -2.200 700 HG22 ILE 83 HG22 ILE 83 -2.482 5.499 -3.514 701 HG23 ILE 83 HG23 ILE 83 -1.367 6.328 -2.429 702 HD11 ILE 83 HD11 ILE 83 0.093 5.015 -0.148 703 HD12 ILE 83 HD12 ILE 83 -0.607 5.873 1.222 704 HD13 ILE 83 HD13 ILE 83 -0.660 6.596 -0.385 705 H ILE 84 H ILE 84 -5.846 4.080 -2.856 706 HA ILE 84 HA ILE 84 -5.168 2.410 -5.164 707 HB ILE 84 HB ILE 84 -7.770 3.916 -4.600 708 HG12 ILE 84 HG12 ILE 84 -7.157 0.987 -3.991 709 HG13 ILE 84 HG13 ILE 84 -7.150 2.264 -2.782 710 HG21 ILE 84 HG21 ILE 84 -7.493 3.268 -6.970 711 HG22 ILE 84 HG22 ILE 84 -8.782 2.329 -6.212 712 HG23 ILE 84 HG23 ILE 84 -7.202 1.594 -6.488 713 HD11 ILE 84 HD11 ILE 84 -9.517 1.354 -4.392 714 HD12 ILE 84 HD12 ILE 84 -9.511 2.681 -3.225 715 HD13 ILE 84 HD13 ILE 84 -9.187 1.034 -2.691 716 H VAL 85 H VAL 85 -4.247 3.314 -6.858 717 HA VAL 85 HA VAL 85 -4.497 6.189 -7.475 718 HB VAL 85 HB VAL 85 -2.383 4.240 -8.519 719 HG11 VAL 85 HG11 VAL 85 -2.412 7.278 -8.445 720 HG12 VAL 85 HG12 VAL 85 -2.670 6.270 -9.872 721 HG13 VAL 85 HG13 VAL 85 -1.103 6.271 -9.063 722 HG21 VAL 85 HG21 VAL 85 -0.823 5.115 -6.816 723 HG22 VAL 85 HG22 VAL 85 -2.196 4.288 -6.076 724 HG23 VAL 85 HG23 VAL 85 -2.132 6.051 -6.092 725 H SER 86 H SER 86 -6.102 6.435 -8.992 726 HA SER 86 HA SER 86 -6.012 4.914 -11.463 727 HB2 SER 86 HB2 SER 86 -7.393 3.434 -10.001 728 HB3 SER 86 HB3 SER 86 -8.505 4.768 -9.701 729 HG SER 86 HG SER 86 -8.428 3.044 -11.767 730 H GLN 87 H GLN 87 -6.929 5.955 -13.125 731 HA GLN 87 HA GLN 87 -7.591 8.734 -12.946 732 HB2 GLN 87 HB2 GLN 87 -7.891 8.589 -15.400 733 HB3 GLN 87 HB3 GLN 87 -6.390 7.825 -14.892 734 HG2 GLN 87 HG2 GLN 87 -7.453 5.597 -15.080 735 HG3 GLN 87 HG3 GLN 87 -8.953 6.357 -15.606 736 HE21 GLN 87 HE21 GLN 87 -7.348 4.397 -17.003 737 HE22 GLN 87 HE22 GLN 87 -6.893 5.116 -18.511 738 H ASP 88 H ASP 88 -9.407 5.901 -12.550 739 HA ASP 88 HA ASP 88 -12.005 7.227 -13.043 740 HB2 ASP 88 HB2 ASP 88 -11.775 5.033 -14.114 741 HB3 ASP 88 HB3 ASP 88 -11.293 4.296 -12.591 742 H GLU 89 H GLU 89 -12.784 8.257 -11.313 743 HA GLU 89 HA GLU 89 -11.985 7.844 -8.622 744 HB2 GLU 89 HB2 GLU 89 -14.352 9.403 -9.713 745 HB3 GLU 89 HB3 GLU 89 -13.851 9.407 -8.025 746 HG2 GLU 89 HG2 GLU 89 -11.608 10.299 -8.775 747 HG3 GLU 89 HG3 GLU 89 -12.295 10.474 -10.392 748 H GLU 90 H GLU 90 -14.435 6.356 -10.538 749 HA GLU 90 HA GLU 90 -16.053 5.370 -8.378 750 HB2 GLU 90 HB2 GLU 90 -15.845 4.429 -11.274 751 HB3 GLU 90 HB3 GLU 90 -17.113 3.966 -10.134 752 HG2 GLU 90 HG2 GLU 90 -17.899 6.276 -9.998 753 HG3 GLU 90 HG3 GLU 90 -16.578 6.822 -11.028 754 H ALA 91 H ALA 91 -13.220 4.168 -10.157 755 HA ALA 91 HA ALA 91 -13.077 1.605 -8.859 756 HB1 ALA 91 HB1 ALA 91 -10.778 1.512 -9.754 757 HB2 ALA 91 HB2 ALA 91 -10.877 3.216 -10.215 758 HB3 ALA 91 HB3 ALA 91 -11.920 2.024 -10.995 759 H LEU 92 H LEU 92 -11.765 4.826 -8.242 760 HA LEU 92 HA LEU 92 -10.058 4.306 -6.086 761 HB2 LEU 92 HB2 LEU 92 -11.725 6.789 -6.669 762 HB3 LEU 92 HB3 LEU 92 -10.469 6.724 -5.448 763 HG LEU 92 HG LEU 92 -10.053 6.442 -8.450 764 HD11 LEU 92 HD11 LEU 92 -9.233 8.699 -6.595 765 HD12 LEU 92 HD12 LEU 92 -10.554 8.752 -7.765 766 HD13 LEU 92 HD13 LEU 92 -8.891 8.588 -8.326 767 HD21 LEU 92 HD21 LEU 92 -7.993 6.418 -6.232 768 HD22 LEU 92 HD22 LEU 92 -7.655 6.442 -7.964 769 HD23 LEU 92 HD23 LEU 92 -8.458 5.049 -7.246 770 H ARG 93 H ARG 93 -13.515 5.264 -6.066 771 HA ARG 93 HA ARG 93 -13.756 5.146 -3.206 772 HB2 ARG 93 HB2 ARG 93 -15.784 5.551 -5.423 773 HB3 ARG 93 HB3 ARG 93 -16.263 5.426 -3.733 774 HG2 ARG 93 HG2 ARG 93 -14.696 7.376 -3.255 775 HG3 ARG 93 HG3 ARG 93 -14.555 7.579 -5.006 776 HD2 ARG 93 HD2 ARG 93 -16.269 9.082 -4.071 777 HD3 ARG 93 HD3 ARG 93 -16.995 7.907 -5.173 778 HE ARG 93 HE ARG 93 -17.311 6.685 -2.797 779 HH11 ARG 93 HH11 ARG 93 -18.099 9.995 -3.780 780 HH12 ARG 93 HH12 ARG 93 -19.411 10.128 -2.650 781 HH21 ARG 93 HH21 ARG 93 -19.040 6.886 -1.343 782 HH22 ARG 93 HH22 ARG 93 -19.942 8.372 -1.276 783 H LYS 94 H LYS 94 -14.459 2.877 -5.814 784 HA LYS 94 HA LYS 94 -16.173 1.105 -4.482 785 HB2 LYS 94 HB2 LYS 94 -15.891 0.982 -6.875 786 HB3 LYS 94 HB3 LYS 94 -14.163 0.696 -6.725 787 HG2 LYS 94 HG2 LYS 94 -14.537 -1.514 -5.849 788 HG3 LYS 94 HG3 LYS 94 -16.277 -1.239 -5.754 789 HD2 LYS 94 HD2 LYS 94 -16.509 -1.233 -8.139 790 HD3 LYS 94 HD3 LYS 94 -14.764 -1.123 -8.388 791 HE2 LYS 94 HE2 LYS 94 -16.141 -3.515 -7.121 792 HE3 LYS 94 HE3 LYS 94 -15.734 -3.396 -8.835 793 HZ1 LYS 94 HZ1 LYS 94 -13.401 -3.127 -8.209 794 HZ2 LYS 94 HZ2 LYS 94 -14.030 -4.595 -7.662 795 HZ3 LYS 94 HZ3 LYS 94 -13.804 -3.318 -6.577 796 H GLY 95 H GLY 95 -12.612 0.991 -4.840 797 HA2 GLY 95 HA2 GLY 95 -12.230 -1.167 -2.979 798 HA3 GLY 95 HA3 GLY 95 -10.995 -0.123 -3.646 799 H TYR 96 H TYR 96 -12.327 2.346 -2.737 800 HA TYR 96 HA TYR 96 -10.914 2.752 -0.357 801 HB2 TYR 96 HB2 TYR 96 -11.411 4.637 -1.791 802 HB3 TYR 96 HB3 TYR 96 -13.139 4.373 -1.646 803 HD1 TYR 96 HD2 TYR 96 -10.136 5.303 0.417 804 HD2 TYR 96 HD1 TYR 96 -14.364 5.664 -0.045 805 HE1 TYR 96 HE2 TYR 96 -10.207 6.913 2.265 806 HE2 TYR 96 HE1 TYR 96 -14.429 7.276 1.815 807 HH TYR 96 HH TYR 96 -11.547 8.585 3.228 808 H GLU 97 H GLU 97 -14.416 2.570 -0.858 809 HA GLU 97 HA GLU 97 -15.036 2.791 1.931 810 HB2 GLU 97 HB2 GLU 97 -16.823 2.091 -0.447 811 HB3 GLU 97 HB3 GLU 97 -17.381 2.586 1.155 812 HG2 GLU 97 HG2 GLU 97 -16.397 4.802 0.882 813 HG3 GLU 97 HG3 GLU 97 -15.643 4.326 -0.635 814 H ASP 98 H ASP 98 -14.722 0.157 -0.363 815 HA ASP 98 HA ASP 98 -15.860 -1.979 1.077 816 HB2 ASP 98 HB2 ASP 98 -15.386 -2.293 -1.248 817 HB3 ASP 98 HB3 ASP 98 -13.726 -1.759 -1.077 818 H LYS 99 H LYS 99 -12.453 -0.923 0.909 819 HA LYS 99 HA LYS 99 -11.563 -2.867 2.852 820 HB2 LYS 99 HB2 LYS 99 -10.135 -0.676 1.302 821 HB3 LYS 99 HB3 LYS 99 -9.304 -1.775 2.407 822 HG2 LYS 99 HG2 LYS 99 -9.787 -3.679 1.061 823 HG3 LYS 99 HG3 LYS 99 -11.009 -2.819 0.124 824 HD2 LYS 99 HD2 LYS 99 -9.155 -1.396 -0.832 825 HD3 LYS 99 HD3 LYS 99 -7.994 -2.442 -0.004 826 HE2 LYS 99 HE2 LYS 99 -8.294 -3.091 -2.377 827 HE3 LYS 99 HE3 LYS 99 -8.809 -4.379 -1.285 828 HZ1 LYS 99 HZ1 LYS 99 -10.668 -2.432 -2.537 829 HZ2 LYS 99 HZ2 LYS 99 -11.087 -3.819 -1.661 830 HZ3 LYS 99 HZ3 LYS 99 -10.340 -3.962 -3.168 831 H LYS 100 H LYS 100 -12.481 0.496 2.908 832 HA LYS 100 HA LYS 100 -11.274 1.301 5.338 833 HB2 LYS 100 HB2 LYS 100 -12.193 2.865 3.652 834 HB3 LYS 100 HB3 LYS 100 -13.824 2.327 4.032 835 HG2 LYS 100 HG2 LYS 100 -13.670 3.307 6.265 836 HG3 LYS 100 HG3 LYS 100 -11.972 3.723 5.994 837 HD2 LYS 100 HD2 LYS 100 -12.679 5.204 4.093 838 HD3 LYS 100 HD3 LYS 100 -14.363 4.842 4.472 839 HE2 LYS 100 HE2 LYS 100 -12.433 6.175 6.399 840 HE3 LYS 100 HE3 LYS 100 -13.560 7.041 5.355 841 HZ1 LYS 100 HZ1 LYS 100 -14.275 5.130 7.508 842 HZ2 LYS 100 HZ2 LYS 100 -15.382 5.862 6.466 843 HZ3 LYS 100 HZ3 LYS 100 -14.481 6.807 7.536 844 H LYS 101 H LYS 101 -14.395 -0.242 4.611 845 HA LYS 101 HA LYS 101 -15.601 -0.251 7.153 846 HB2 LYS 101 HB2 LYS 101 -15.753 -2.334 4.925 847 HB3 LYS 101 HB3 LYS 101 -16.820 -2.327 6.328 848 HG2 LYS 101 HG2 LYS 101 -17.828 -0.251 5.650 849 HG3 LYS 101 HG3 LYS 101 -16.636 -0.029 4.370 850 HD2 LYS 101 HD2 LYS 101 -17.515 -2.159 3.301 851 HD3 LYS 101 HD3 LYS 101 -18.811 -2.154 4.503 852 HE2 LYS 101 HE2 LYS 101 -18.268 0.028 2.459 853 HE3 LYS 101 HE3 LYS 101 -19.551 -1.179 2.362 854 HZ1 LYS 101 HZ1 LYS 101 -20.521 -0.256 4.370 855 HZ2 LYS 101 HZ2 LYS 101 -20.376 0.934 3.181 856 HZ3 LYS 101 HZ3 LYS 101 -19.289 0.893 4.472 857 H LYS 102 H LYS 102 -13.112 -2.296 5.778 858 HA LYS 102 HA LYS 102 -13.217 -4.400 7.758 859 HB2 LYS 102 HB2 LYS 102 -11.085 -3.839 5.649 860 HB3 LYS 102 HB3 LYS 102 -11.358 -5.363 6.494 861 HG2 LYS 102 HG2 LYS 102 -13.551 -5.607 5.378 862 HG3 LYS 102 HG3 LYS 102 -13.311 -4.057 4.568 863 HD2 LYS 102 HD2 LYS 102 -12.825 -5.876 3.027 864 HD3 LYS 102 HD3 LYS 102 -11.341 -4.987 3.382 865 HE2 LYS 102 HE2 LYS 102 -10.999 -7.442 3.336 866 HE3 LYS 102 HE3 LYS 102 -10.623 -6.755 4.918 867 HZ1 LYS 102 HZ1 LYS 102 -12.757 -7.515 5.730 868 HZ2 LYS 102 HZ2 LYS 102 -11.916 -8.817 5.062 869 HZ3 LYS 102 HZ3 LYS 102 -13.180 -8.098 4.203 870 H GLY 103 H GLY 103 -11.912 -1.306 7.771 871 HA2 GLY 103 HA2 GLY 103 -11.023 -0.332 9.720 872 HA3 GLY 103 HA3 GLY 103 -10.357 -1.885 10.202 873 H TYR 104 H TYR 104 -9.947 -0.740 6.925 874 HA TYR 104 HA TYR 104 -7.060 -0.301 7.412 875 HB2 TYR 104 HB2 TYR 104 -8.399 -0.631 4.693 876 HB3 TYR 104 HB3 TYR 104 -6.688 -0.787 5.073 877 HD1 TYR 104 HD2 TYR 104 -7.077 -2.665 7.557 878 HD2 TYR 104 HD1 TYR 104 -8.689 -2.749 3.608 879 HE1 TYR 104 HE2 TYR 104 -7.400 -5.095 7.738 880 HE2 TYR 104 HE1 TYR 104 -9.013 -5.169 3.788 881 HH TYR 104 HH TYR 104 -8.798 -6.856 6.730 882 H ASP 105 H ASP 105 -6.206 1.758 7.125 883 HA ASP 105 HA ASP 105 -7.951 3.996 6.553 884 HB2 ASP 105 HB2 ASP 105 -4.905 4.002 6.787 885 HB3 ASP 105 HB3 ASP 105 -5.974 5.402 6.887 886 H VAL 106 H VAL 106 -8.650 4.044 4.450 887 HA VAL 106 HA VAL 106 -6.730 3.424 2.300 888 HB VAL 106 HB VAL 106 -9.748 3.754 1.963 889 HG11 VAL 106 HG11 VAL 106 -7.626 2.440 0.213 890 HG12 VAL 106 HG12 VAL 106 -8.464 3.957 -0.122 891 HG13 VAL 106 HG13 VAL 106 -9.359 2.437 -0.120 892 HG21 VAL 106 HG21 VAL 106 -9.922 1.289 2.034 893 HG22 VAL 106 HG22 VAL 106 -9.352 1.937 3.574 894 HG23 VAL 106 HG23 VAL 106 -8.211 1.176 2.462 895 H TYR 107 H TYR 107 -6.280 4.861 0.713 896 HA TYR 107 HA TYR 107 -7.287 7.614 0.821 897 HB2 TYR 107 HB2 TYR 107 -4.427 6.638 0.330 898 HB3 TYR 107 HB3 TYR 107 -4.961 8.300 0.097 899 HD1 TYR 107 HD1 TYR 107 -5.626 9.693 2.075 900 HD2 TYR 107 HD2 TYR 107 -3.964 5.793 2.579 901 HE1 TYR 107 HE1 TYR 107 -5.168 10.195 4.431 902 HE2 TYR 107 HE2 TYR 107 -3.503 6.293 4.940 903 HH TYR 107 HH TYR 107 -3.168 8.269 6.392 904 H THR 108 H THR 108 -7.741 8.482 -1.140 905 HA THR 108 HA THR 108 -7.608 6.769 -3.552 906 HB THR 108 HB THR 108 -9.503 8.205 -4.378 907 HG1 THR 108 HG1 THR 108 -8.794 9.817 -2.402 908 HG21 THR 108 HG21 THR 108 -10.036 6.088 -3.213 909 HG22 THR 108 HG22 THR 108 -11.260 7.317 -2.891 910 HG23 THR 108 HG23 THR 108 -10.048 6.939 -1.664 911 H SER 109 H SER 109 -6.824 7.720 -5.497 912 HA SER 109 HA SER 109 -5.825 10.471 -5.415 913 HB2 SER 109 HB2 SER 109 -3.577 9.697 -6.329 914 HB3 SER 109 HB3 SER 109 -3.874 9.322 -4.641 915 HG SER 109 HG SER 109 -4.610 7.213 -5.490 916 H ARG 110 H ARG 110 -6.077 11.490 -7.207 917 HA ARG 110 HA ARG 110 -7.469 10.709 -9.470 918 HB2 ARG 110 HB2 ARG 110 -7.156 13.034 -8.676 919 HB3 ARG 110 HB3 ARG 110 -5.445 12.941 -9.042 920 HG2 ARG 110 HG2 ARG 110 -6.229 14.191 -10.817 921 HG3 ARG 110 HG3 ARG 110 -6.230 12.573 -11.512 922 HD2 ARG 110 HD2 ARG 110 -8.682 13.858 -10.278 923 HD3 ARG 110 HD3 ARG 110 -8.267 14.001 -11.984 924 HE ARG 110 HE ARG 110 -8.337 11.274 -11.326 925 HH11 ARG 110 HH11 ARG 110 -10.555 14.007 -11.644 926 HH12 ARG 110 HH12 ARG 110 -11.903 13.010 -12.082 927 HH21 ARG 110 HH21 ARG 110 -10.127 9.996 -11.966 928 HH22 ARG 110 HH22 ARG 110 -11.662 10.752 -12.264 929 H ASN 111 H ASN 111 -3.987 10.937 -8.903 930 HA ASN 111 HA ASN 111 -3.248 8.822 -10.646 931 HB2 ASN 111 HB2 ASN 111 -2.094 9.970 -12.427 932 HB3 ASN 111 HB3 ASN 111 -3.689 10.700 -12.342 933 HD21 ASN 111 HD21 ASN 111 -3.864 12.831 -11.461 934 HD22 ASN 111 HD22 ASN 111 -2.498 13.886 -11.391 935 H GLU 112 H GLU 112 -0.525 9.613 -11.078 936 HA GLU 112 HA GLU 112 0.731 8.836 -8.750 937 HB2 GLU 112 HB2 GLU 112 1.721 8.774 -11.046 938 HB3 GLU 112 HB3 GLU 112 1.942 10.518 -10.980 939 HG2 GLU 112 HG2 GLU 112 3.410 10.125 -8.919 940 HG3 GLU 112 HG3 GLU 112 3.344 8.406 -9.309 941 H ASP 113 H ASP 113 0.003 12.177 -9.799 942 HA ASP 113 HA ASP 113 1.746 13.598 -8.123 943 HB2 ASP 113 HB2 ASP 113 -1.032 14.441 -9.070 944 HB3 ASP 113 HB3 ASP 113 0.148 15.527 -8.339 945 H GLU 114 H GLU 114 -1.622 12.673 -7.601 946 HA GLU 114 HA GLU 114 -1.820 13.684 -4.929 947 HB2 GLU 114 HB2 GLU 114 -3.635 11.887 -6.589 948 HB3 GLU 114 HB3 GLU 114 -4.032 12.390 -4.954 949 HG2 GLU 114 HG2 GLU 114 -5.206 13.774 -6.558 950 HG3 GLU 114 HG3 GLU 114 -4.045 14.737 -5.653 951 H ALA 115 H ALA 115 -1.216 10.539 -6.399 952 HA ALA 115 HA ALA 115 -1.431 8.824 -4.184 953 HB1 ALA 115 HB1 ALA 115 -1.275 8.043 -6.517 954 HB2 ALA 115 HB2 ALA 115 -0.052 7.269 -5.508 955 HB3 ALA 115 HB3 ALA 115 0.401 8.584 -6.599 956 H LYS 116 H LYS 116 1.216 10.746 -5.417 957 HA LYS 116 HA LYS 116 3.350 9.803 -3.816 958 HB2 LYS 116 HB2 LYS 116 3.573 10.989 -5.984 959 HB3 LYS 116 HB3 LYS 116 2.930 12.456 -5.264 960 HG2 LYS 116 HG2 LYS 116 4.898 12.783 -3.940 961 HG3 LYS 116 HG3 LYS 116 5.501 11.164 -4.303 962 HD2 LYS 116 HD2 LYS 116 5.190 13.438 -6.313 963 HD3 LYS 116 HD3 LYS 116 6.710 12.894 -5.604 964 HE2 LYS 116 HE2 LYS 116 6.470 10.704 -6.706 965 HE3 LYS 116 HE3 LYS 116 4.907 11.186 -7.368 966 HZ1 LYS 116 HZ1 LYS 116 6.594 11.414 -9.034 967 HZ2 LYS 116 HZ2 LYS 116 7.550 12.378 -8.026 968 HZ3 LYS 116 HZ3 LYS 116 6.068 12.961 -8.595 969 H LYS 117 H LYS 117 0.947 12.370 -3.432 970 HA LYS 117 HA LYS 117 2.038 13.566 -1.071 971 HB2 LYS 117 HB2 LYS 117 -0.855 13.577 -2.038 972 HB3 LYS 117 HB3 LYS 117 -0.154 14.686 -0.864 973 HG2 LYS 117 HG2 LYS 117 0.603 14.495 -3.792 974 HG3 LYS 117 HG3 LYS 117 -0.444 15.719 -3.084 975 HD2 LYS 117 HD2 LYS 117 2.483 15.321 -2.353 976 HD3 LYS 117 HD3 LYS 117 1.886 16.507 -3.515 977 HE2 LYS 117 HE2 LYS 117 0.607 17.637 -1.756 978 HE3 LYS 117 HE3 LYS 117 1.117 16.422 -0.577 979 HZ1 LYS 117 HZ1 LYS 117 3.403 17.123 -0.910 980 HZ2 LYS 117 HZ2 LYS 117 2.447 18.422 -0.414 981 HZ3 LYS 117 HZ3 LYS 117 2.911 18.289 -2.031 982 H LYS 118 H LYS 118 -0.627 11.260 -1.645 983 HA LYS 118 HA LYS 118 -1.456 10.904 1.024 984 HB2 LYS 118 HB2 LYS 118 -1.762 9.003 -1.342 985 HB3 LYS 118 HB3 LYS 118 -2.703 8.928 0.139 986 HG2 LYS 118 HG2 LYS 118 -2.791 11.407 -1.589 987 HG3 LYS 118 HG3 LYS 118 -3.720 9.985 -2.039 988 HD2 LYS 118 HD2 LYS 118 -5.166 11.515 -0.868 989 HD3 LYS 118 HD3 LYS 118 -4.912 10.098 0.141 990 HE2 LYS 118 HE2 LYS 118 -4.893 12.189 1.454 991 HE3 LYS 118 HE3 LYS 118 -3.340 11.362 1.541 992 HZ1 LYS 118 HZ1 LYS 118 -2.471 12.893 -0.105 993 HZ2 LYS 118 HZ2 LYS 118 -3.083 13.737 1.217 994 HZ3 LYS 118 HZ3 LYS 118 -3.965 13.672 -0.224 995 H LEU 119 H LEU 119 1.018 9.299 -0.899 996 HA LEU 119 HA LEU 119 1.399 7.014 0.752 997 HB2 LEU 119 HB2 LEU 119 2.251 7.727 -1.790 998 HB3 LEU 119 HB3 LEU 119 3.743 7.866 -0.886 999 HG LEU 119 HG LEU 119 2.011 5.362 -1.033 1000 HD11 LEU 119 HD11 LEU 119 3.029 5.817 -3.181 1001 HD12 LEU 119 HD12 LEU 119 3.781 4.409 -2.433 1002 HD13 LEU 119 HD13 LEU 119 4.624 5.962 -2.437 1003 HD21 LEU 119 HD21 LEU 119 4.750 5.719 0.222 1004 HD22 LEU 119 HD22 LEU 119 3.885 4.190 0.039 1005 HD23 LEU 119 HD23 LEU 119 3.230 5.451 1.081 1006 H LYS 120 H LYS 120 3.049 10.135 0.443 1007 HA LYS 120 HA LYS 120 5.042 9.591 2.399 1008 HB2 LYS 120 HB2 LYS 120 4.108 12.217 1.176 1009 HB3 LYS 120 HB3 LYS 120 5.473 12.080 2.293 1010 HG2 LYS 120 HG2 LYS 120 6.478 10.389 0.688 1011 HG3 LYS 120 HG3 LYS 120 5.229 10.864 -0.471 1012 HD2 LYS 120 HD2 LYS 120 6.075 13.144 -0.530 1013 HD3 LYS 120 HD3 LYS 120 7.195 12.812 0.799 1014 HE2 LYS 120 HE2 LYS 120 8.272 11.072 -0.701 1015 HE3 LYS 120 HE3 LYS 120 7.288 11.711 -2.017 1016 HZ1 LYS 120 HZ1 LYS 120 9.357 13.148 -0.467 1017 HZ2 LYS 120 HZ2 LYS 120 8.334 13.889 -1.580 1018 HZ3 LYS 120 HZ3 LYS 120 9.418 12.702 -2.095 1019 H GLU 121 H GLU 121 1.856 11.116 2.546 1020 HA GLU 121 HA GLU 121 1.928 12.005 5.231 1021 HB2 GLU 121 HB2 GLU 121 -0.385 11.124 3.454 1022 HB3 GLU 121 HB3 GLU 121 -0.618 11.817 5.061 1023 HG2 GLU 121 HG2 GLU 121 0.299 13.926 4.405 1024 HG3 GLU 121 HG3 GLU 121 0.950 13.259 2.907 1025 H ALA 122 H ALA 122 0.971 8.895 3.812 1026 HA ALA 122 HA ALA 122 0.280 7.540 6.215 1027 HB1 ALA 122 HB1 ALA 122 1.244 6.440 3.554 1028 HB2 ALA 122 HB2 ALA 122 -0.431 6.781 3.992 1029 HB3 ALA 122 HB3 ALA 122 0.452 5.505 4.831 1030 H LEU 123 H LEU 123 3.316 8.019 4.495 1031 HA LEU 123 HA LEU 123 4.915 6.223 6.037 1032 HB2 LEU 123 HB2 LEU 123 5.581 8.501 4.149 1033 HB3 LEU 123 HB3 LEU 123 6.838 7.611 4.990 1034 HG LEU 123 HG LEU 123 4.834 6.329 3.085 1035 HD11 LEU 123 HD11 LEU 123 7.713 7.094 2.511 1036 HD12 LEU 123 HD12 LEU 123 6.276 7.877 1.848 1037 HD13 LEU 123 HD13 LEU 123 6.632 6.201 1.432 1038 HD21 LEU 123 HD21 LEU 123 7.358 5.200 4.337 1039 HD22 LEU 123 HD22 LEU 123 6.344 4.387 3.141 1040 HD23 LEU 123 HD23 LEU 123 5.696 4.753 4.737 1041 H GLU 124 H GLU 124 4.076 9.667 6.338 1042 HA GLU 124 HA GLU 124 5.902 10.406 8.377 1043 HB2 GLU 124 HB2 GLU 124 3.149 11.495 7.656 1044 HB3 GLU 124 HB3 GLU 124 4.151 12.221 8.909 1045 HG2 GLU 124 HG2 GLU 124 5.892 12.721 7.252 1046 HG3 GLU 124 HG3 GLU 124 4.944 11.945 5.994 1047 H LYS 125 H LYS 125 2.727 8.820 8.494 1048 HA LYS 125 HA LYS 125 2.436 9.027 11.365 1049 HB2 LYS 125 HB2 LYS 125 0.822 7.129 9.615 1050 HB3 LYS 125 HB3 LYS 125 0.348 7.870 11.138 1051 HG2 LYS 125 HG2 LYS 125 0.524 9.139 8.406 1052 HG3 LYS 125 HG3 LYS 125 -0.901 8.954 9.421 1053 HD2 LYS 125 HD2 LYS 125 -0.135 10.695 10.934 1054 HD3 LYS 125 HD3 LYS 125 1.454 10.738 10.165 1055 HE2 LYS 125 HE2 LYS 125 0.313 11.514 8.042 1056 HE3 LYS 125 HE3 LYS 125 -1.181 11.658 8.970 1057 HZ1 LYS 125 HZ1 LYS 125 1.349 13.103 9.564 1058 HZ2 LYS 125 HZ2 LYS 125 -0.106 13.273 10.400 1059 HZ3 LYS 125 HZ3 LYS 125 0.001 13.771 8.792 1060 H SER 126 H SER 126 3.873 6.759 9.156 1061 HA SER 126 HA SER 126 4.169 4.626 11.126 1062 HB2 SER 126 HB2 SER 126 5.361 3.444 9.280 1063 HB3 SER 126 HB3 SER 126 3.757 3.988 8.811 1064 HG SER 126 HG SER 126 4.596 5.216 7.362 1065 H GLY 127 H GLY 127 5.663 7.516 10.656 1066 HA2 GLY 127 HA2 GLY 127 7.407 8.355 11.929 1067 HA3 GLY 127 HA3 GLY 127 7.960 6.723 12.262 1068 H SER 128 H SER 128 7.444 6.909 9.006 1069 HA SER 128 HA SER 128 10.245 6.924 8.348 1070 HB2 SER 128 HB2 SER 128 7.844 6.946 6.467 1071 HB3 SER 128 HB3 SER 128 9.473 6.356 6.128 1072 HG SER 128 HG SER 128 7.407 5.173 7.539 1073 H LEU 129 H LEU 129 11.279 8.847 8.387 1074 HA LEU 129 HA LEU 129 10.201 11.205 6.987 1075 HB2 LEU 129 HB2 LEU 129 11.143 11.196 9.893 1076 HB3 LEU 129 HB3 LEU 129 10.903 12.661 8.958 1077 HG LEU 129 HG LEU 129 8.698 10.688 9.686 1078 HD11 LEU 129 HD11 LEU 129 9.524 11.825 11.687 1079 HD12 LEU 129 HD12 LEU 129 7.906 12.382 11.272 1080 HD13 LEU 129 HD13 LEU 129 9.307 13.398 10.913 1081 HD21 LEU 129 HD21 LEU 129 8.214 11.853 7.603 1082 HD22 LEU 129 HD22 LEU 129 8.538 13.413 8.364 1083 HD23 LEU 129 HD23 LEU 129 7.159 12.443 8.887 1084 H GLU 130 H GLU 130 11.787 11.584 5.521 1085 HA GLU 130 HA GLU 130 14.616 11.304 6.213 1086 HB2 GLU 130 HB2 GLU 130 13.695 10.577 3.957 1087 HB3 GLU 130 HB3 GLU 130 13.401 12.268 3.588 1088 HG2 GLU 130 HG2 GLU 130 15.435 11.668 2.514 1089 HG3 GLU 130 HG3 GLU 130 15.874 12.677 3.885 1090 H HIS 131 H HIS 131 12.738 13.887 4.591 1091 HA HIS 131 HA HIS 131 13.905 15.930 6.381 1092 HB2 HIS 131 HB2 HIS 131 13.653 16.218 3.339 1093 HB3 HIS 131 HB3 HIS 131 14.163 17.491 4.451 1094 HD2 HIS 131 HD2 HIS 131 15.643 14.631 2.396 1095 HE1 HIS 131 HE1 HIS 131 18.643 15.921 5.077 1096 HE2 HIS 131 HE2 HIS 131 18.073 14.299 3.222 1097 H HIS 132 H HIS 132 12.708 18.041 6.102 1098 HA HIS 132 HA HIS 132 9.833 17.819 5.494 1099 HB2 HIS 132 HB2 HIS 132 9.217 18.812 7.667 1100 HB3 HIS 132 HB3 HIS 132 10.133 17.335 7.950 1101 HD2 HIS 132 HD2 HIS 132 12.858 17.795 8.806 1102 HE1 HIS 132 HE1 HIS 132 12.041 21.759 10.026 1103 HE2 HIS 132 HE2 HIS 132 13.786 19.929 9.949 1104 H HIS 133 H HIS 133 8.827 20.054 5.480 1105 HA HIS 133 HA HIS 133 8.671 22.153 4.657 1106 HB2 HIS 133 HB2 HIS 133 9.436 22.743 6.892 1107 HB3 HIS 133 HB3 HIS 133 11.119 22.516 6.440 1108 HD1 HIS 133 HD1 HIS 133 12.325 24.625 5.868 1109 HD2 HIS 133 HD2 HIS 133 8.221 25.010 5.336 1110 HE1 HIS 133 HE1 HIS 133 11.953 27.013 5.186 1111 HE2 HIS 133 HE2 HIS 133 9.452 27.257 5.030 1112 H HIS 134 H HIS 134 8.936 22.055 2.466 1113 HA HIS 134 HA HIS 134 11.476 21.530 1.227 1114 HB2 HIS 134 HB2 HIS 134 8.774 22.276 0.040 1115 HB3 HIS 134 HB3 HIS 134 10.189 21.860 -0.926 1116 HD1 HIS 134 HD1 HIS 134 7.301 20.245 -0.384 1117 HD2 HIS 134 HD2 HIS 134 11.162 19.185 0.738 1118 HE1 HIS 134 HE1 HIS 134 7.253 17.758 -0.038 1119 HE2 HIS 134 HE2 HIS 134 9.595 17.140 0.614 1120 H HIS 135 H HIS 135 9.325 24.437 1.203 1121 HA HIS 135 HA HIS 135 11.651 26.181 1.243 1122 HB2 HIS 135 HB2 HIS 135 11.364 25.644 -1.215 1123 HB3 HIS 135 HB3 HIS 135 9.767 26.381 -1.161 1124 HD1 HIS 135 HD1 HIS 135 9.743 28.803 -1.828 1125 HD2 HIS 135 HD2 HIS 135 13.484 27.622 -0.451 1126 HE1 HIS 135 HE1 HIS 135 11.256 30.781 -2.177 1127 HE2 HIS 135 HE2 HIS 135 13.479 30.077 -1.249 1128 H HIS 136 H HIS 136 8.138 25.861 0.972 1129 HA HIS 136 HA HIS 136 7.623 28.582 1.885 1130 HB2 HIS 136 HB2 HIS 136 6.227 27.598 0.082 1131 HB3 HIS 136 HB3 HIS 136 5.678 26.335 1.177 1132 HD1 HIS 136 HD1 HIS 136 3.901 26.995 2.945 1133 HD2 HIS 136 HD2 HIS 136 5.025 30.126 0.465 1134 HE1 HIS 136 HE1 HIS 136 2.208 28.799 3.335 1135 HE2 HIS 136 HE2 HIS 136 3.051 30.752 1.998 Start of MODEL 16 1 H1 MET 1 H1 MET 1 4.579 -0.318 15.964 2 H2 MET 1 H2 MET 1 6.040 -0.895 16.576 3 H3 MET 1 H3 MET 1 4.631 -1.034 17.493 4 HA MET 1 HA MET 1 5.266 -3.132 16.514 5 HB2 MET 1 HB2 MET 1 2.707 -1.869 15.443 6 HB3 MET 1 HB3 MET 1 3.047 -3.589 15.327 7 HG2 MET 1 HG2 MET 1 2.807 -2.065 17.932 8 HG3 MET 1 HG3 MET 1 1.511 -3.000 17.187 9 HE1 MET 1 HE1 MET 1 2.967 -6.677 17.420 10 HE2 MET 1 HE2 MET 1 3.159 -5.582 16.052 11 HE3 MET 1 HE3 MET 1 1.606 -5.692 16.882 12 H GLY 2 H GLY 2 3.825 -1.268 13.856 13 HA2 GLY 2 HA2 GLY 2 5.773 -1.168 11.941 14 HA3 GLY 2 HA3 GLY 2 5.125 -2.811 11.817 15 H VAL 3 H VAL 3 4.796 -0.992 9.703 16 HA VAL 3 HA VAL 3 1.871 -0.517 9.698 17 HB VAL 3 HB VAL 3 3.963 1.585 8.911 18 HG11 VAL 3 HG11 VAL 3 0.937 1.739 8.638 19 HG12 VAL 3 HG12 VAL 3 2.099 1.650 7.313 20 HG13 VAL 3 HG13 VAL 3 2.057 3.074 8.353 21 HG21 VAL 3 HG21 VAL 3 3.614 1.476 11.346 22 HG22 VAL 3 HG22 VAL 3 1.872 1.643 11.123 23 HG23 VAL 3 HG23 VAL 3 2.943 2.976 10.701 24 H VAL 4 H VAL 4 1.006 -1.389 7.865 25 HA VAL 4 HA VAL 4 2.825 -2.006 5.596 26 HB VAL 4 HB VAL 4 0.188 -3.378 6.299 27 HG11 VAL 4 HG11 VAL 4 0.909 -5.106 4.687 28 HG12 VAL 4 HG12 VAL 4 2.354 -4.162 4.314 29 HG13 VAL 4 HG13 VAL 4 0.758 -3.528 3.909 30 HG21 VAL 4 HG21 VAL 4 3.017 -4.355 6.835 31 HG22 VAL 4 HG22 VAL 4 1.535 -5.271 7.121 32 HG23 VAL 4 HG23 VAL 4 1.863 -3.811 8.057 33 H ILE 5 H ILE 5 2.589 -0.577 4.038 34 HA ILE 5 HA ILE 5 0.057 0.761 3.427 35 HB ILE 5 HB ILE 5 2.857 1.285 2.299 36 HG12 ILE 5 HG12 ILE 5 2.591 3.501 3.725 37 HG13 ILE 5 HG13 ILE 5 1.438 2.566 4.661 38 HG21 ILE 5 HG21 ILE 5 1.916 3.408 1.446 39 HG22 ILE 5 HG22 ILE 5 0.324 2.933 2.032 40 HG23 ILE 5 HG23 ILE 5 1.103 1.999 0.754 41 HD11 ILE 5 HD11 ILE 5 3.209 0.962 5.217 42 HD12 ILE 5 HD12 ILE 5 3.631 2.605 5.700 43 HD13 ILE 5 HD13 ILE 5 4.354 1.902 4.255 44 H LEU 6 H LEU 6 -1.152 -0.545 2.097 45 HA LEU 6 HA LEU 6 0.040 -2.092 -0.100 46 HB2 LEU 6 HB2 LEU 6 -2.819 -1.999 0.911 47 HB3 LEU 6 HB3 LEU 6 -2.165 -3.168 -0.222 48 HG LEU 6 HG LEU 6 -1.346 -2.886 2.693 49 HD11 LEU 6 HD11 LEU 6 -3.067 -4.989 1.369 50 HD12 LEU 6 HD12 LEU 6 -3.595 -3.750 2.513 51 HD13 LEU 6 HD13 LEU 6 -2.488 -5.014 3.039 52 HD21 LEU 6 HD21 LEU 6 0.502 -3.669 1.326 53 HD22 LEU 6 HD22 LEU 6 -0.511 -4.932 0.621 54 HD23 LEU 6 HD23 LEU 6 -0.109 -4.972 2.339 55 H VAL 7 H VAL 7 0.361 -0.779 -1.829 56 HA VAL 7 HA VAL 7 -1.634 1.231 -2.564 57 HB VAL 7 HB VAL 7 1.107 0.861 -3.854 58 HG11 VAL 7 HG11 VAL 7 0.780 3.252 -4.480 59 HG12 VAL 7 HG12 VAL 7 -0.821 3.213 -3.748 60 HG13 VAL 7 HG13 VAL 7 -0.472 2.207 -5.154 61 HG21 VAL 7 HG21 VAL 7 1.465 1.209 -1.441 62 HG22 VAL 7 HG22 VAL 7 0.427 2.636 -1.476 63 HG23 VAL 7 HG23 VAL 7 1.955 2.638 -2.358 64 H LEU 8 H LEU 8 -3.224 0.358 -3.755 65 HA LEU 8 HA LEU 8 -2.785 -1.737 -5.736 66 HB2 LEU 8 HB2 LEU 8 -5.288 -0.288 -4.777 67 HB3 LEU 8 HB3 LEU 8 -5.309 -1.438 -6.103 68 HG LEU 8 HG LEU 8 -4.539 -3.237 -4.518 69 HD11 LEU 8 HD11 LEU 8 -4.954 -1.170 -2.345 70 HD12 LEU 8 HD12 LEU 8 -3.420 -1.903 -2.816 71 HD13 LEU 8 HD13 LEU 8 -4.682 -2.897 -2.095 72 HD21 LEU 8 HD21 LEU 8 -7.119 -1.847 -3.740 73 HD22 LEU 8 HD22 LEU 8 -6.709 -3.534 -3.409 74 HD23 LEU 8 HD23 LEU 8 -6.907 -2.986 -5.073 75 H THR 9 H THR 9 -1.846 -0.989 -7.543 76 HA THR 9 HA THR 9 -2.597 1.618 -8.713 77 HB THR 9 HB THR 9 -0.403 1.462 -9.912 78 HG1 THR 9 HG1 THR 9 0.000 -0.880 -8.315 79 HG21 THR 9 HG21 THR 9 -0.439 2.643 -7.741 80 HG22 THR 9 HG22 THR 9 1.105 1.826 -7.993 81 HG23 THR 9 HG23 THR 9 -0.100 1.128 -6.906 82 H GLY 10 H GLY 10 -2.786 1.724 -11.022 83 HA2 GLY 10 HA2 GLY 10 -4.042 -0.561 -12.282 84 HA3 GLY 10 HA3 GLY 10 -3.778 1.027 -12.988 85 H ASP 11 H ASP 11 -0.796 0.599 -12.075 86 HA ASP 11 HA ASP 11 0.192 -1.255 -14.054 87 HB2 ASP 11 HB2 ASP 11 -0.656 0.726 -15.422 88 HB3 ASP 11 HB3 ASP 11 0.534 1.737 -14.617 89 H GLU 12 H GLU 12 2.519 -1.368 -14.107 90 HA GLU 12 HA GLU 12 3.666 -1.033 -11.502 91 HB2 GLU 12 HB2 GLU 12 4.752 -2.231 -14.066 92 HB3 GLU 12 HB3 GLU 12 5.785 -2.023 -12.655 93 HG2 GLU 12 HG2 GLU 12 4.911 -4.301 -12.784 94 HG3 GLU 12 HG3 GLU 12 4.335 -3.473 -11.336 95 H ARG 13 H ARG 13 3.948 0.810 -14.501 96 HA ARG 13 HA ARG 13 6.328 2.235 -13.843 97 HB2 ARG 13 HB2 ARG 13 4.009 3.211 -15.565 98 HB3 ARG 13 HB3 ARG 13 5.629 3.895 -15.519 99 HG2 ARG 13 HG2 ARG 13 5.876 1.082 -16.158 100 HG3 ARG 13 HG3 ARG 13 4.631 1.770 -17.194 101 HD2 ARG 13 HD2 ARG 13 6.737 1.898 -18.340 102 HD3 ARG 13 HD3 ARG 13 6.262 3.537 -17.883 103 HE ARG 13 HE ARG 13 7.959 2.404 -15.897 104 HH11 ARG 13 HH11 ARG 13 8.099 3.837 -19.122 105 HH12 ARG 13 HH12 ARG 13 9.743 4.333 -18.948 106 HH21 ARG 13 HH21 ARG 13 10.128 3.002 -15.726 107 HH22 ARG 13 HH22 ARG 13 10.899 3.861 -17.021 108 H ILE 14 H ILE 14 2.931 2.674 -12.977 109 HA ILE 14 HA ILE 14 3.168 5.192 -11.635 110 HB ILE 14 HB ILE 14 1.166 2.942 -11.085 111 HG12 ILE 14 HG12 ILE 14 0.857 5.338 -12.962 112 HG13 ILE 14 HG13 ILE 14 1.093 3.670 -13.471 113 HG21 ILE 14 HG21 ILE 14 0.991 5.902 -10.384 114 HG22 ILE 14 HG22 ILE 14 1.267 4.582 -9.246 115 HG23 ILE 14 HG23 ILE 14 -0.272 4.701 -10.099 116 HD11 ILE 14 HD11 ILE 14 -1.299 4.745 -11.974 117 HD12 ILE 14 HD12 ILE 14 -1.057 3.064 -12.465 118 HD13 ILE 14 HD13 ILE 14 -1.224 4.323 -13.686 119 H ALA 15 H ALA 15 3.034 1.812 -10.512 120 HA ALA 15 HA ALA 15 3.625 2.128 -7.800 121 HB1 ALA 15 HB1 ALA 15 4.218 -0.256 -9.588 122 HB2 ALA 15 HB2 ALA 15 2.680 0.082 -8.794 123 HB3 ALA 15 HB3 ALA 15 4.104 -0.282 -7.822 124 H GLU 16 H GLU 16 5.724 2.103 -10.545 125 HA GLU 16 HA GLU 16 8.261 1.564 -9.385 126 HB2 GLU 16 HB2 GLU 16 7.825 1.289 -11.754 127 HB3 GLU 16 HB3 GLU 16 7.335 2.968 -11.917 128 HG2 GLU 16 HG2 GLU 16 9.689 3.657 -11.460 129 HG3 GLU 16 HG3 GLU 16 10.144 1.948 -11.423 130 H GLU 17 H GLU 17 6.644 4.592 -10.365 131 HA GLU 17 HA GLU 17 8.572 6.428 -9.452 132 HB2 GLU 17 HB2 GLU 17 5.574 6.677 -9.894 133 HB3 GLU 17 HB3 GLU 17 6.569 8.051 -9.420 134 HG2 GLU 17 HG2 GLU 17 6.941 6.403 -11.933 135 HG3 GLU 17 HG3 GLU 17 6.164 7.984 -11.842 136 H LEU 18 H LEU 18 5.946 4.808 -7.851 137 HA LEU 18 HA LEU 18 5.982 6.263 -5.400 138 HB2 LEU 18 HB2 LEU 18 4.922 3.479 -6.030 139 HB3 LEU 18 HB3 LEU 18 4.507 4.440 -4.617 140 HG LEU 18 HG LEU 18 3.804 5.100 -7.498 141 HD11 LEU 18 HD11 LEU 18 1.486 4.723 -6.855 142 HD12 LEU 18 HD12 LEU 18 1.999 4.268 -5.228 143 HD13 LEU 18 HD13 LEU 18 2.465 3.276 -6.611 144 HD21 LEU 18 HD21 LEU 18 3.118 6.674 -5.005 145 HD22 LEU 18 HD22 LEU 18 2.512 6.991 -6.633 146 HD23 LEU 18 HD23 LEU 18 4.230 7.167 -6.288 147 H ARG 19 H ARG 19 7.396 3.182 -6.511 148 HA ARG 19 HA ARG 19 8.640 2.282 -4.161 149 HB2 ARG 19 HB2 ARG 19 8.345 0.784 -6.028 150 HB3 ARG 19 HB3 ARG 19 9.251 1.819 -7.114 151 HG2 ARG 19 HG2 ARG 19 10.759 0.709 -4.769 152 HG3 ARG 19 HG3 ARG 19 10.270 -0.449 -6.003 153 HD2 ARG 19 HD2 ARG 19 11.912 2.063 -6.517 154 HD3 ARG 19 HD3 ARG 19 12.567 0.428 -6.367 155 HE ARG 19 HE ARG 19 10.715 0.159 -8.327 156 HH11 ARG 19 HH11 ARG 19 13.421 2.402 -8.007 157 HH12 ARG 19 HH12 ARG 19 13.654 2.534 -9.719 158 HH21 ARG 19 HH21 ARG 19 11.088 0.301 -10.555 159 HH22 ARG 19 HH22 ARG 19 12.332 1.340 -11.167 160 H LYS 20 H LYS 20 9.850 4.360 -6.757 161 HA LYS 20 HA LYS 20 12.455 4.907 -5.909 162 HB2 LYS 20 HB2 LYS 20 10.429 6.707 -7.311 163 HB3 LYS 20 HB3 LYS 20 12.138 7.099 -7.151 164 HG2 LYS 20 HG2 LYS 20 12.779 5.299 -8.606 165 HG3 LYS 20 HG3 LYS 20 11.151 4.612 -8.578 166 HD2 LYS 20 HD2 LYS 20 11.630 5.851 -10.700 167 HD3 LYS 20 HD3 LYS 20 10.259 6.513 -9.811 168 HE2 LYS 20 HE2 LYS 20 11.742 8.309 -8.915 169 HE3 LYS 20 HE3 LYS 20 13.072 7.662 -9.876 170 HZ1 LYS 20 HZ1 LYS 20 12.002 9.528 -10.964 171 HZ2 LYS 20 HZ2 LYS 20 10.518 8.720 -10.960 172 HZ3 LYS 20 HZ3 LYS 20 11.802 8.118 -11.871 173 H GLU 21 H GLU 21 9.379 6.560 -5.201 174 HA GLU 21 HA GLU 21 10.465 8.695 -3.740 175 HB2 GLU 21 HB2 GLU 21 8.209 8.686 -4.857 176 HB3 GLU 21 HB3 GLU 21 7.616 7.632 -3.577 177 HG2 GLU 21 HG2 GLU 21 6.971 9.967 -3.174 178 HG3 GLU 21 HG3 GLU 21 8.047 9.385 -1.905 179 H VAL 22 H VAL 22 9.318 5.505 -2.744 180 HA VAL 22 HA VAL 22 9.123 5.901 0.040 181 HB VAL 22 HB VAL 22 9.867 3.348 -1.470 182 HG11 VAL 22 HG11 VAL 22 8.926 3.677 1.407 183 HG12 VAL 22 HG12 VAL 22 10.528 3.146 0.887 184 HG13 VAL 22 HG13 VAL 22 9.117 2.134 0.569 185 HG21 VAL 22 HG21 VAL 22 7.660 4.241 -2.115 186 HG22 VAL 22 HG22 VAL 22 7.165 4.266 -0.425 187 HG23 VAL 22 HG23 VAL 22 7.501 2.729 -1.227 188 H GLN 23 H GLN 23 11.845 4.785 -1.979 189 HA GLN 23 HA GLN 23 13.736 4.442 0.130 190 HB2 GLN 23 HB2 GLN 23 14.240 4.946 -2.836 191 HB3 GLN 23 HB3 GLN 23 15.426 4.337 -1.681 192 HG2 GLN 23 HG2 GLN 23 14.091 2.291 -1.370 193 HG3 GLN 23 HG3 GLN 23 12.881 2.897 -2.505 194 HE21 GLN 23 HE21 GLN 23 14.504 0.464 -2.675 195 HE22 GLN 23 HE22 GLN 23 15.387 0.577 -4.155 196 H LYS 24 H LYS 24 12.924 7.122 -2.017 197 HA LYS 24 HA LYS 24 15.051 8.889 -1.253 198 HB2 LYS 24 HB2 LYS 24 12.419 9.409 -2.706 199 HB3 LYS 24 HB3 LYS 24 13.693 10.611 -2.528 200 HG2 LYS 24 HG2 LYS 24 13.978 7.960 -3.986 201 HG3 LYS 24 HG3 LYS 24 13.700 9.518 -4.760 202 HD2 LYS 24 HD2 LYS 24 16.148 8.817 -3.084 203 HD3 LYS 24 HD3 LYS 24 16.089 8.800 -4.848 204 HE2 LYS 24 HE2 LYS 24 15.665 11.209 -4.899 205 HE3 LYS 24 HE3 LYS 24 15.584 11.261 -3.135 206 HZ1 LYS 24 HZ1 LYS 24 17.912 10.527 -3.086 207 HZ2 LYS 24 HZ2 LYS 24 17.724 12.010 -3.872 208 HZ3 LYS 24 HZ3 LYS 24 17.973 10.599 -4.772 209 H HIS 25 H HIS 25 11.940 8.142 0.071 210 HA HIS 25 HA HIS 25 11.708 10.564 1.692 211 HB2 HIS 25 HB2 HIS 25 9.720 9.360 0.636 212 HB3 HIS 25 HB3 HIS 25 9.994 8.030 1.751 213 HD2 HIS 25 HD2 HIS 25 9.084 8.456 4.351 214 HE1 HIS 25 HE1 HIS 25 7.301 12.197 3.513 215 HE2 HIS 25 HE2 HIS 25 7.657 10.411 5.269 216 H ASP 26 H ASP 26 12.200 7.075 2.164 217 HA ASP 26 HA ASP 26 13.898 7.506 4.475 218 HB2 ASP 26 HB2 ASP 26 11.571 7.362 5.428 219 HB3 ASP 26 HB3 ASP 26 11.397 5.774 4.707 220 HA PRO 27 HA PRO 27 15.663 4.306 1.791 221 HB2 PRO 27 HB2 PRO 27 17.971 4.326 3.685 222 HB3 PRO 27 HB3 PRO 27 17.920 4.758 1.964 223 HG2 PRO 27 HG2 PRO 27 18.238 6.647 3.839 224 HG3 PRO 27 HG3 PRO 27 17.269 6.956 2.377 225 HD2 PRO 27 HD2 PRO 27 16.308 6.219 5.149 226 HD3 PRO 27 HD3 PRO 27 15.720 7.503 4.061 227 H ASN 28 H ASN 28 14.508 3.784 4.906 228 HA ASN 28 HA ASN 28 15.605 1.036 5.161 229 HB2 ASN 28 HB2 ASN 28 14.214 2.624 7.364 230 HB3 ASN 28 HB3 ASN 28 15.220 1.188 7.534 231 HD21 ASN 28 HD21 ASN 28 15.198 4.625 7.059 232 HD22 ASN 28 HD22 ASN 28 16.882 4.888 7.356 233 H VAL 29 H VAL 29 12.700 2.794 4.479 234 HA VAL 29 HA VAL 29 10.804 0.835 5.384 235 HB VAL 29 HB VAL 29 10.430 2.953 3.213 236 HG11 VAL 29 HG11 VAL 29 7.991 2.667 3.603 237 HG12 VAL 29 HG12 VAL 29 8.327 1.352 4.731 238 HG13 VAL 29 HG13 VAL 29 8.730 1.170 3.024 239 HG21 VAL 29 HG21 VAL 29 11.010 3.963 5.361 240 HG22 VAL 29 HG22 VAL 29 9.720 3.061 6.154 241 HG23 VAL 29 HG23 VAL 29 9.325 4.295 4.956 242 H LYS 30 H LYS 30 10.310 -1.046 4.469 243 HA LYS 30 HA LYS 30 11.602 -2.164 2.233 244 HB2 LYS 30 HB2 LYS 30 9.258 -2.952 3.976 245 HB3 LYS 30 HB3 LYS 30 9.588 -3.900 2.536 246 HG2 LYS 30 HG2 LYS 30 11.569 -3.421 4.788 247 HG3 LYS 30 HG3 LYS 30 10.570 -4.866 4.606 248 HD2 LYS 30 HD2 LYS 30 12.754 -3.904 2.716 249 HD3 LYS 30 HD3 LYS 30 12.796 -5.331 3.754 250 HE2 LYS 30 HE2 LYS 30 10.929 -6.319 2.439 251 HE3 LYS 30 HE3 LYS 30 10.940 -4.901 1.389 252 HZ1 LYS 30 HZ1 LYS 30 12.150 -6.704 0.397 253 HZ2 LYS 30 HZ2 LYS 30 13.162 -6.836 1.735 254 HZ3 LYS 30 HZ3 LYS 30 13.224 -5.452 0.767 255 H THR 31 H THR 31 10.947 -2.529 0.119 256 HA THR 31 HA THR 31 8.231 -1.716 -0.739 257 HB THR 31 HB THR 31 9.207 -1.239 -3.033 258 HG1 THR 31 HG1 THR 31 11.730 -0.964 -1.799 259 HG21 THR 31 HG21 THR 31 8.648 0.627 -1.490 260 HG22 THR 31 HG22 THR 31 10.015 1.011 -2.544 261 HG23 THR 31 HG23 THR 31 10.295 0.577 -0.856 262 H VAL 32 H VAL 32 7.121 -3.346 -1.619 263 HA VAL 32 HA VAL 32 8.552 -5.659 -2.811 264 HB VAL 32 HB VAL 32 5.898 -5.849 -1.293 265 HG11 VAL 32 HG11 VAL 32 6.162 -7.529 -3.083 266 HG12 VAL 32 HG12 VAL 32 6.225 -8.294 -1.496 267 HG13 VAL 32 HG13 VAL 32 7.715 -8.029 -2.403 268 HG21 VAL 32 HG21 VAL 32 7.710 -5.364 0.304 269 HG22 VAL 32 HG22 VAL 32 8.653 -6.712 -0.335 270 HG23 VAL 32 HG23 VAL 32 7.127 -7.021 0.500 271 HA PRO 33 HA PRO 33 5.942 -3.961 -6.174 272 HB2 PRO 33 HB2 PRO 33 7.051 -5.387 -8.242 273 HB3 PRO 33 HB3 PRO 33 7.875 -3.995 -7.502 274 HG2 PRO 33 HG2 PRO 33 8.296 -6.925 -6.965 275 HG3 PRO 33 HG3 PRO 33 9.508 -5.653 -7.238 276 HD2 PRO 33 HD2 PRO 33 8.870 -6.498 -4.741 277 HD3 PRO 33 HD3 PRO 33 9.319 -4.810 -5.074 278 H THR 34 H THR 34 4.622 -5.005 -7.989 279 HA THR 34 HA THR 34 2.754 -6.859 -6.946 280 HB THR 34 HB THR 34 1.691 -6.802 -9.178 281 HG1 THR 34 HG1 THR 34 2.902 -5.388 -10.773 282 HG21 THR 34 HG21 THR 34 1.307 -4.813 -7.769 283 HG22 THR 34 HG22 THR 34 1.372 -4.362 -9.474 284 HG23 THR 34 HG23 THR 34 2.757 -4.050 -8.423 285 H LYS 35 H LYS 35 5.719 -7.308 -8.593 286 HA LYS 35 HA LYS 35 5.618 -9.818 -9.765 287 HB2 LYS 35 HB2 LYS 35 7.843 -8.518 -8.135 288 HB3 LYS 35 HB3 LYS 35 8.067 -9.919 -9.173 289 HG2 LYS 35 HG2 LYS 35 7.702 -8.627 -11.154 290 HG3 LYS 35 HG3 LYS 35 7.113 -7.246 -10.227 291 HD2 LYS 35 HD2 LYS 35 9.401 -6.837 -11.041 292 HD3 LYS 35 HD3 LYS 35 9.362 -6.882 -9.284 293 HE2 LYS 35 HE2 LYS 35 10.228 -9.247 -10.983 294 HE3 LYS 35 HE3 LYS 35 11.346 -8.025 -10.392 295 HZ1 LYS 35 HZ1 LYS 35 10.556 -8.637 -8.096 296 HZ2 LYS 35 HZ2 LYS 35 11.452 -9.817 -8.901 297 HZ3 LYS 35 HZ3 LYS 35 9.775 -9.966 -8.791 298 H ASP 36 H ASP 36 6.469 -8.979 -6.397 299 HA ASP 36 HA ASP 36 6.891 -11.804 -5.723 300 HB2 ASP 36 HB2 ASP 36 7.684 -9.205 -4.336 301 HB3 ASP 36 HB3 ASP 36 8.044 -10.803 -3.699 302 H LYS 37 H LYS 37 4.417 -11.854 -5.878 303 HA LYS 37 HA LYS 37 2.726 -10.584 -4.023 304 HB2 LYS 37 HB2 LYS 37 2.287 -13.166 -5.577 305 HB3 LYS 37 HB3 LYS 37 1.021 -12.259 -4.750 306 HG2 LYS 37 HG2 LYS 37 1.491 -10.310 -6.227 307 HG3 LYS 37 HG3 LYS 37 2.686 -11.285 -7.091 308 HD2 LYS 37 HD2 LYS 37 0.875 -12.887 -7.725 309 HD3 LYS 37 HD3 LYS 37 -0.299 -11.855 -6.897 310 HE2 LYS 37 HE2 LYS 37 1.354 -11.149 -9.337 311 HE3 LYS 37 HE3 LYS 37 -0.393 -11.376 -9.261 312 HZ1 LYS 37 HZ1 LYS 37 -0.500 -9.449 -7.770 313 HZ2 LYS 37 HZ2 LYS 37 0.123 -9.056 -9.294 314 HZ3 LYS 37 HZ3 LYS 37 1.163 -9.213 -7.968 315 H GLU 38 H GLU 38 4.273 -13.779 -3.914 316 HA GLU 38 HA GLU 38 3.022 -14.685 -1.501 317 HB2 GLU 38 HB2 GLU 38 5.669 -15.595 -2.738 318 HB3 GLU 38 HB3 GLU 38 4.805 -16.425 -1.449 319 HG2 GLU 38 HG2 GLU 38 4.359 -17.633 -3.455 320 HG3 GLU 38 HG3 GLU 38 2.882 -16.753 -3.052 321 H LYS 39 H LYS 39 6.061 -13.107 -2.343 322 HA LYS 39 HA LYS 39 7.359 -13.338 0.158 323 HB2 LYS 39 HB2 LYS 39 7.951 -11.351 -2.072 324 HB3 LYS 39 HB3 LYS 39 9.054 -11.836 -0.784 325 HG2 LYS 39 HG2 LYS 39 7.944 -13.714 -2.882 326 HG3 LYS 39 HG3 LYS 39 9.516 -12.923 -2.986 327 HD2 LYS 39 HD2 LYS 39 10.281 -14.122 -0.991 328 HD3 LYS 39 HD3 LYS 39 8.682 -14.844 -0.772 329 HE2 LYS 39 HE2 LYS 39 10.295 -16.419 -1.814 330 HE3 LYS 39 HE3 LYS 39 8.923 -16.084 -2.869 331 HZ1 LYS 39 HZ1 LYS 39 11.072 -16.078 -4.029 332 HZ2 LYS 39 HZ2 LYS 39 11.572 -14.764 -3.090 333 HZ3 LYS 39 HZ3 LYS 39 10.273 -14.595 -4.151 334 H VAL 40 H VAL 40 4.975 -11.094 -0.967 335 HA VAL 40 HA VAL 40 5.368 -8.800 0.520 336 HB VAL 40 HB VAL 40 2.709 -10.247 0.024 337 HG11 VAL 40 HG11 VAL 40 3.180 -7.371 0.902 338 HG12 VAL 40 HG12 VAL 40 2.438 -8.652 1.861 339 HG13 VAL 40 HG13 VAL 40 1.620 -8.045 0.422 340 HG21 VAL 40 HG21 VAL 40 3.992 -7.974 -1.557 341 HG22 VAL 40 HG22 VAL 40 2.409 -8.684 -1.880 342 HG23 VAL 40 HG23 VAL 40 3.868 -9.653 -2.078 343 H LYS 41 H LYS 41 3.722 -11.790 1.536 344 HA LYS 41 HA LYS 41 2.951 -11.096 4.131 345 HB2 LYS 41 HB2 LYS 41 2.072 -12.975 2.730 346 HB3 LYS 41 HB3 LYS 41 3.579 -13.846 2.950 347 HG2 LYS 41 HG2 LYS 41 1.924 -13.077 5.353 348 HG3 LYS 41 HG3 LYS 41 1.450 -14.456 4.363 349 HD2 LYS 41 HD2 LYS 41 3.740 -15.444 4.759 350 HD3 LYS 41 HD3 LYS 41 4.071 -14.119 5.876 351 HE2 LYS 41 HE2 LYS 41 3.364 -16.169 7.057 352 HE3 LYS 41 HE3 LYS 41 2.224 -14.850 7.317 353 HZ1 LYS 41 HZ1 LYS 41 1.889 -17.104 5.420 354 HZ2 LYS 41 HZ2 LYS 41 0.805 -15.821 5.599 355 HZ3 LYS 41 HZ3 LYS 41 1.066 -16.892 6.876 356 H GLU 42 H GLU 42 5.886 -12.665 2.921 357 HA GLU 42 HA GLU 42 7.193 -13.220 5.349 358 HB2 GLU 42 HB2 GLU 42 8.203 -12.741 2.524 359 HB3 GLU 42 HB3 GLU 42 9.324 -13.058 3.839 360 HG2 GLU 42 HG2 GLU 42 8.908 -15.068 2.531 361 HG3 GLU 42 HG3 GLU 42 8.340 -15.270 4.189 362 H GLU 43 H GLU 43 7.354 -10.372 3.207 363 HA GLU 43 HA GLU 43 9.391 -9.048 4.728 364 HB2 GLU 43 HB2 GLU 43 7.682 -7.896 2.493 365 HB3 GLU 43 HB3 GLU 43 9.192 -7.231 3.106 366 HG2 GLU 43 HG2 GLU 43 8.845 -9.820 1.571 367 HG3 GLU 43 HG3 GLU 43 9.561 -8.333 0.973 368 H ILE 44 H ILE 44 5.902 -8.989 4.792 369 HA ILE 44 HA ILE 44 5.405 -6.617 6.237 370 HB ILE 44 HB ILE 44 3.937 -9.292 6.183 371 HG12 ILE 44 HG12 ILE 44 3.176 -6.568 5.037 372 HG13 ILE 44 HG13 ILE 44 3.836 -7.915 4.116 373 HG21 ILE 44 HG21 ILE 44 2.029 -8.255 7.392 374 HG22 ILE 44 HG22 ILE 44 3.000 -6.812 7.676 375 HG23 ILE 44 HG23 ILE 44 3.474 -8.347 8.403 376 HD11 ILE 44 HD11 ILE 44 1.471 -7.766 3.789 377 HD12 ILE 44 HD12 ILE 44 1.172 -7.849 5.524 378 HD13 ILE 44 HD13 ILE 44 1.847 -9.243 4.671 379 H GLU 45 H GLU 45 5.909 -9.977 7.383 380 HA GLU 45 HA GLU 45 5.959 -9.346 10.143 381 HB2 GLU 45 HB2 GLU 45 5.417 -11.603 9.375 382 HB3 GLU 45 HB3 GLU 45 7.038 -11.803 8.709 383 HG2 GLU 45 HG2 GLU 45 8.035 -11.776 10.904 384 HG3 GLU 45 HG3 GLU 45 6.525 -11.269 11.652 385 H LYS 46 H LYS 46 8.485 -9.578 7.680 386 HA LYS 46 HA LYS 46 10.763 -9.237 9.283 387 HB2 LYS 46 HB2 LYS 46 11.356 -9.797 7.115 388 HB3 LYS 46 HB3 LYS 46 10.073 -8.842 6.394 389 HG2 LYS 46 HG2 LYS 46 11.370 -6.788 6.756 390 HG3 LYS 46 HG3 LYS 46 12.667 -7.715 7.508 391 HD2 LYS 46 HD2 LYS 46 11.726 -8.094 4.637 392 HD3 LYS 46 HD3 LYS 46 13.085 -7.070 5.100 393 HE2 LYS 46 HE2 LYS 46 14.300 -9.006 5.961 394 HE3 LYS 46 HE3 LYS 46 12.916 -10.055 5.641 395 HZ1 LYS 46 HZ1 LYS 46 14.567 -10.279 3.916 396 HZ2 LYS 46 HZ2 LYS 46 14.530 -8.622 3.592 397 HZ3 LYS 46 HZ3 LYS 46 13.174 -9.577 3.274 398 H ALA 47 H ALA 47 8.621 -6.829 7.752 399 HA ALA 47 HA ALA 47 10.121 -4.519 8.333 400 HB1 ALA 47 HB1 ALA 47 7.130 -4.767 7.874 401 HB2 ALA 47 HB2 ALA 47 8.360 -4.576 6.622 402 HB3 ALA 47 HB3 ALA 47 8.078 -3.272 7.776 403 H ARG 48 H ARG 48 7.269 -5.907 9.983 404 HA ARG 48 HA ARG 48 7.184 -3.996 12.072 405 HB2 ARG 48 HB2 ARG 48 5.545 -5.428 13.148 406 HB3 ARG 48 HB3 ARG 48 5.214 -5.337 11.424 407 HG2 ARG 48 HG2 ARG 48 6.071 -7.567 11.064 408 HG3 ARG 48 HG3 ARG 48 6.677 -7.661 12.718 409 HD2 ARG 48 HD2 ARG 48 4.306 -7.506 13.536 410 HD3 ARG 48 HD3 ARG 48 3.764 -7.572 11.858 411 HE ARG 48 HE ARG 48 4.266 -9.816 11.775 412 HH11 ARG 48 HH11 ARG 48 5.485 -8.533 14.819 413 HH12 ARG 48 HH12 ARG 48 5.779 -10.106 15.488 414 HH21 ARG 48 HH21 ARG 48 4.609 -11.852 12.678 415 HH22 ARG 48 HH22 ARG 48 5.284 -11.984 14.276 416 H LYS 49 H LYS 49 8.930 -7.032 11.733 417 HA LYS 49 HA LYS 49 9.653 -7.389 14.483 418 HB2 LYS 49 HB2 LYS 49 9.686 -9.075 12.444 419 HB3 LYS 49 HB3 LYS 49 11.299 -8.458 12.152 420 HG2 LYS 49 HG2 LYS 49 10.455 -9.678 14.798 421 HG3 LYS 49 HG3 LYS 49 11.073 -10.643 13.461 422 HD2 LYS 49 HD2 LYS 49 13.195 -9.303 13.542 423 HD3 LYS 49 HD3 LYS 49 12.573 -8.463 14.964 424 HE2 LYS 49 HE2 LYS 49 14.085 -10.254 15.656 425 HE3 LYS 49 HE3 LYS 49 12.442 -10.649 16.161 426 HZ1 LYS 49 HZ1 LYS 49 13.608 -12.551 15.205 427 HZ2 LYS 49 HZ2 LYS 49 13.790 -11.721 13.742 428 HZ3 LYS 49 HZ3 LYS 49 12.250 -12.140 14.288 429 H GLN 50 H GLN 50 10.985 -5.613 11.766 430 HA GLN 50 HA GLN 50 13.379 -4.772 13.232 431 HB2 GLN 50 HB2 GLN 50 12.453 -4.085 10.414 432 HB3 GLN 50 HB3 GLN 50 14.005 -3.640 11.113 433 HG2 GLN 50 HG2 GLN 50 13.035 -6.425 10.414 434 HG3 GLN 50 HG3 GLN 50 14.351 -5.533 9.660 435 HE21 GLN 50 HE21 GLN 50 13.397 -7.472 12.374 436 HE22 GLN 50 HE22 GLN 50 14.968 -7.673 13.061 437 H GLY 51 H GLY 51 10.171 -3.748 13.004 438 HA2 GLY 51 HA2 GLY 51 9.106 -1.960 13.989 439 HA3 GLY 51 HA3 GLY 51 10.668 -1.340 14.499 440 H ARG 52 H ARG 52 9.444 -2.024 11.249 441 HA ARG 52 HA ARG 52 9.743 0.801 10.433 442 HB2 ARG 52 HB2 ARG 52 11.007 -1.661 9.136 443 HB3 ARG 52 HB3 ARG 52 10.781 -0.162 8.245 444 HG2 ARG 52 HG2 ARG 52 12.410 -0.415 10.795 445 HG3 ARG 52 HG3 ARG 52 13.082 -0.425 9.163 446 HD2 ARG 52 HD2 ARG 52 12.337 1.862 8.778 447 HD3 ARG 52 HD3 ARG 52 11.462 1.884 10.312 448 HE ARG 52 HE ARG 52 13.939 1.389 11.149 449 HH11 ARG 52 HH11 ARG 52 12.775 3.841 8.895 450 HH12 ARG 52 HH12 ARG 52 14.030 4.960 9.291 451 HH21 ARG 52 HH21 ARG 52 15.593 2.838 11.613 452 HH22 ARG 52 HH22 ARG 52 15.635 4.388 10.841 453 HA PRO 53 HA PRO 53 6.044 -0.152 7.992 454 HB2 PRO 53 HB2 PRO 53 6.676 1.937 6.021 455 HB3 PRO 53 HB3 PRO 53 5.434 1.951 7.285 456 HG2 PRO 53 HG2 PRO 53 7.649 3.568 7.319 457 HG3 PRO 53 HG3 PRO 53 6.763 3.069 8.778 458 HD2 PRO 53 HD2 PRO 53 9.334 1.970 7.660 459 HD3 PRO 53 HD3 PRO 53 8.871 2.263 9.353 460 H ILE 54 H ILE 54 5.419 -0.695 5.744 461 HA ILE 54 HA ILE 54 7.539 -1.396 3.858 462 HB ILE 54 HB ILE 54 7.324 -3.523 4.967 463 HG12 ILE 54 HG12 ILE 54 5.617 -3.545 2.436 464 HG13 ILE 54 HG13 ILE 54 7.352 -3.799 2.544 465 HG21 ILE 54 HG21 ILE 54 4.301 -3.307 4.803 466 HG22 ILE 54 HG22 ILE 54 5.273 -3.080 6.257 467 HG23 ILE 54 HG23 ILE 54 5.206 -4.665 5.479 468 HD11 ILE 54 HD11 ILE 54 5.204 -5.651 3.563 469 HD12 ILE 54 HD12 ILE 54 6.943 -5.910 3.731 470 HD13 ILE 54 HD13 ILE 54 6.208 -5.868 2.130 471 H VAL 55 H VAL 55 6.907 -0.478 1.983 472 HA VAL 55 HA VAL 55 4.062 -0.094 1.384 473 HB VAL 55 HB VAL 55 6.492 0.993 -0.105 474 HG11 VAL 55 HG11 VAL 55 3.543 1.698 -0.364 475 HG12 VAL 55 HG12 VAL 55 4.490 0.777 -1.535 476 HG13 VAL 55 HG13 VAL 55 4.871 2.472 -1.234 477 HG21 VAL 55 HG21 VAL 55 6.358 1.937 2.171 478 HG22 VAL 55 HG22 VAL 55 4.677 2.405 1.893 479 HG23 VAL 55 HG23 VAL 55 5.971 3.162 0.959 480 H VAL 56 H VAL 56 3.270 -1.864 0.604 481 HA VAL 56 HA VAL 56 4.522 -3.610 -1.352 482 HB VAL 56 HB VAL 56 1.739 -3.721 -0.069 483 HG11 VAL 56 HG11 VAL 56 3.254 -5.872 -1.608 484 HG12 VAL 56 HG12 VAL 56 1.836 -4.988 -2.179 485 HG13 VAL 56 HG13 VAL 56 1.699 -6.082 -0.800 486 HG21 VAL 56 HG21 VAL 56 4.273 -5.209 0.741 487 HG22 VAL 56 HG22 VAL 56 2.672 -5.426 1.451 488 HG23 VAL 56 HG23 VAL 56 3.515 -3.886 1.635 489 H PHE 57 H PHE 57 3.806 -3.787 -3.451 490 HA PHE 57 HA PHE 57 1.822 -1.856 -4.469 491 HB2 PHE 57 HB2 PHE 57 4.172 -3.127 -5.951 492 HB3 PHE 57 HB3 PHE 57 3.060 -1.913 -6.595 493 HD1 PHE 57 HD1 PHE 57 2.893 0.337 -5.240 494 HD2 PHE 57 HD2 PHE 57 6.198 -2.371 -4.926 495 HE1 PHE 57 HE1 PHE 57 4.276 2.122 -4.278 496 HE2 PHE 57 HE2 PHE 57 7.573 -0.569 -3.975 497 HZ PHE 57 HZ PHE 57 6.611 1.674 -3.645 498 H VAL 58 H VAL 58 0.023 -2.809 -4.930 499 HA VAL 58 HA VAL 58 -0.146 -5.579 -5.982 500 HB VAL 58 HB VAL 58 -2.153 -4.062 -4.215 501 HG11 VAL 58 HG11 VAL 58 -2.327 -6.892 -5.298 502 HG12 VAL 58 HG12 VAL 58 -3.329 -5.527 -5.788 503 HG13 VAL 58 HG13 VAL 58 -3.451 -6.166 -4.150 504 HG21 VAL 58 HG21 VAL 58 -0.204 -4.824 -2.917 505 HG22 VAL 58 HG22 VAL 58 -0.423 -6.469 -3.521 506 HG23 VAL 58 HG23 VAL 58 -1.645 -5.746 -2.469 507 H ARG 59 H ARG 59 -1.729 -5.811 -7.740 508 HA ARG 59 HA ARG 59 -2.329 -3.345 -9.205 509 HB2 ARG 59 HB2 ARG 59 -2.789 -6.284 -9.876 510 HB3 ARG 59 HB3 ARG 59 -3.329 -4.970 -10.912 511 HG2 ARG 59 HG2 ARG 59 -0.970 -4.227 -11.174 512 HG3 ARG 59 HG3 ARG 59 -0.447 -5.595 -10.185 513 HD2 ARG 59 HD2 ARG 59 -1.385 -7.158 -11.851 514 HD3 ARG 59 HD3 ARG 59 -1.934 -5.799 -12.832 515 HE ARG 59 HE ARG 59 0.770 -5.426 -12.515 516 HH11 ARG 59 HH11 ARG 59 -1.224 -7.949 -13.922 517 HH12 ARG 59 HH12 ARG 59 -0.016 -8.431 -15.065 518 HH21 ARG 59 HH21 ARG 59 2.339 -6.064 -14.023 519 HH22 ARG 59 HH22 ARG 59 2.002 -7.364 -15.124 520 H GLY 60 H GLY 60 -4.512 -2.870 -9.992 521 HA2 GLY 60 HA2 GLY 60 -6.581 -2.968 -8.024 522 HA3 GLY 60 HA3 GLY 60 -6.742 -2.385 -9.673 523 H GLY 61 H GLY 61 -5.868 -4.910 -10.879 524 HA2 GLY 61 HA2 GLY 61 -8.274 -6.562 -10.670 525 HA3 GLY 61 HA3 GLY 61 -6.943 -6.772 -11.795 526 H ASP 62 H ASP 62 -5.657 -6.376 -8.775 527 HA ASP 62 HA ASP 62 -5.497 -9.276 -8.134 528 HB2 ASP 62 HB2 ASP 62 -3.380 -8.059 -8.994 529 HB3 ASP 62 HB3 ASP 62 -3.443 -7.079 -7.537 530 H ASP 63 H ASP 63 -7.517 -7.331 -7.378 531 HA ASP 63 HA ASP 63 -7.092 -5.930 -4.986 532 HB2 ASP 63 HB2 ASP 63 -8.826 -5.345 -6.638 533 HB3 ASP 63 HB3 ASP 63 -9.701 -6.830 -6.285 534 H GLU 64 H GLU 64 -8.470 -9.154 -5.565 535 HA GLU 64 HA GLU 64 -9.460 -9.684 -2.996 536 HB2 GLU 64 HB2 GLU 64 -8.560 -11.458 -5.268 537 HB3 GLU 64 HB3 GLU 64 -8.909 -12.193 -3.708 538 HG2 GLU 64 HG2 GLU 64 -10.837 -10.591 -5.407 539 HG3 GLU 64 HG3 GLU 64 -10.847 -12.335 -5.152 540 H ARG 65 H ARG 65 -6.251 -10.356 -4.383 541 HA ARG 65 HA ARG 65 -5.082 -11.509 -2.113 542 HB2 ARG 65 HB2 ARG 65 -4.019 -11.746 -4.234 543 HB3 ARG 65 HB3 ARG 65 -3.955 -10.005 -4.489 544 HG2 ARG 65 HG2 ARG 65 -2.214 -9.734 -2.867 545 HG3 ARG 65 HG3 ARG 65 -2.407 -11.386 -2.278 546 HD2 ARG 65 HD2 ARG 65 -1.563 -10.782 -5.126 547 HD3 ARG 65 HD3 ARG 65 -0.411 -10.906 -3.800 548 HE ARG 65 HE ARG 65 -0.918 -13.200 -3.551 549 HH11 ARG 65 HH11 ARG 65 -2.574 -11.836 -6.340 550 HH12 ARG 65 HH12 ARG 65 -2.866 -13.388 -7.062 551 HH21 ARG 65 HH21 ARG 65 -1.276 -15.190 -4.512 552 HH22 ARG 65 HH22 ARG 65 -2.125 -15.292 -6.021 553 H ALA 66 H ALA 66 -5.403 -8.109 -3.124 554 HA ALA 66 HA ALA 66 -3.746 -6.852 -1.255 555 HB1 ALA 66 HB1 ALA 66 -5.003 -4.814 -1.724 556 HB2 ALA 66 HB2 ALA 66 -6.316 -5.760 -2.436 557 HB3 ALA 66 HB3 ALA 66 -4.732 -5.724 -3.209 558 H LYS 67 H LYS 67 -7.280 -7.500 -0.969 559 HA LYS 67 HA LYS 67 -7.486 -6.408 1.669 560 HB2 LYS 67 HB2 LYS 67 -9.789 -7.725 1.658 561 HB3 LYS 67 HB3 LYS 67 -9.563 -6.278 0.699 562 HG2 LYS 67 HG2 LYS 67 -10.144 -7.366 -1.175 563 HG3 LYS 67 HG3 LYS 67 -8.841 -8.523 -0.955 564 HD2 LYS 67 HD2 LYS 67 -11.542 -8.823 0.411 565 HD3 LYS 67 HD3 LYS 67 -11.212 -9.468 -1.196 566 HE2 LYS 67 HE2 LYS 67 -9.333 -10.807 -0.218 567 HE3 LYS 67 HE3 LYS 67 -9.816 -10.247 1.388 568 HZ1 LYS 67 HZ1 LYS 67 -10.749 -12.403 0.955 569 HZ2 LYS 67 HZ2 LYS 67 -11.442 -11.874 -0.495 570 HZ3 LYS 67 HZ3 LYS 67 -12.007 -11.272 0.979 571 H ASP 68 H ASP 68 -6.740 -9.649 0.509 572 HA ASP 68 HA ASP 68 -6.921 -10.980 3.046 573 HB2 ASP 68 HB2 ASP 68 -5.477 -11.633 0.464 574 HB3 ASP 68 HB3 ASP 68 -5.173 -12.599 1.899 575 H ILE 69 H ILE 69 -4.289 -9.288 1.374 576 HA ILE 69 HA ILE 69 -2.220 -9.836 3.265 577 HB ILE 69 HB ILE 69 -2.504 -7.594 1.202 578 HG12 ILE 69 HG12 ILE 69 -0.809 -10.135 1.054 579 HG13 ILE 69 HG13 ILE 69 -2.364 -9.927 0.258 580 HG21 ILE 69 HG21 ILE 69 -0.029 -8.377 2.772 581 HG22 ILE 69 HG22 ILE 69 -0.951 -6.884 2.962 582 HG23 ILE 69 HG23 ILE 69 -0.083 -7.200 1.460 583 HD11 ILE 69 HD11 ILE 69 0.117 -8.299 -0.306 584 HD12 ILE 69 HD12 ILE 69 -1.445 -8.137 -1.114 585 HD13 ILE 69 HD13 ILE 69 -0.512 -9.621 -1.288 586 H ALA 70 H ALA 70 -4.616 -7.288 2.849 587 HA ALA 70 HA ALA 70 -3.823 -5.509 4.899 588 HB1 ALA 70 HB1 ALA 70 -6.562 -5.955 3.656 589 HB2 ALA 70 HB2 ALA 70 -5.309 -4.883 3.034 590 HB3 ALA 70 HB3 ALA 70 -6.063 -4.534 4.588 591 H GLU 71 H GLU 71 -6.044 -8.242 4.789 592 HA GLU 71 HA GLU 71 -7.074 -8.190 7.417 593 HB2 GLU 71 HB2 GLU 71 -8.131 -9.455 5.634 594 HB3 GLU 71 HB3 GLU 71 -6.681 -10.416 5.373 595 HG2 GLU 71 HG2 GLU 71 -6.991 -11.464 7.592 596 HG3 GLU 71 HG3 GLU 71 -8.452 -10.511 7.834 597 H TYR 72 H TYR 72 -4.223 -9.747 5.984 598 HA TYR 72 HA TYR 72 -3.338 -11.166 8.272 599 HB2 TYR 72 HB2 TYR 72 -2.526 -11.756 6.019 600 HB3 TYR 72 HB3 TYR 72 -1.752 -10.180 5.850 601 HD1 TYR 72 HD1 TYR 72 -1.737 -13.154 8.164 602 HD2 TYR 72 HD2 TYR 72 0.582 -10.047 6.360 603 HE1 TYR 72 HE1 TYR 72 0.281 -14.044 9.222 604 HE2 TYR 72 HE2 TYR 72 2.614 -10.951 7.422 605 HH TYR 72 HH TYR 72 3.107 -12.375 9.533 606 H ALA 73 H ALA 73 -2.491 -7.983 6.940 607 HA ALA 73 HA ALA 73 -0.434 -7.285 8.730 608 HB1 ALA 73 HB1 ALA 73 -0.769 -4.997 7.868 609 HB2 ALA 73 HB2 ALA 73 -2.300 -5.494 7.137 610 HB3 ALA 73 HB3 ALA 73 -0.778 -6.183 6.564 611 H GLN 74 H GLN 74 -3.935 -6.684 8.800 612 HA GLN 74 HA GLN 74 -4.036 -5.096 11.156 613 HB2 GLN 74 HB2 GLN 74 -5.870 -5.118 9.516 614 HB3 GLN 74 HB3 GLN 74 -6.170 -6.825 9.834 615 HG2 GLN 74 HG2 GLN 74 -6.835 -6.262 12.159 616 HG3 GLN 74 HG3 GLN 74 -6.557 -4.554 11.816 617 HE21 GLN 74 HE21 GLN 74 -8.015 -3.464 10.433 618 HE22 GLN 74 HE22 GLN 74 -9.568 -4.113 10.082 619 H LYS 75 H LYS 75 -4.263 -8.574 10.532 620 HA LYS 75 HA LYS 75 -4.851 -9.492 13.145 621 HB2 LYS 75 HB2 LYS 75 -5.090 -10.874 11.101 622 HB3 LYS 75 HB3 LYS 75 -3.341 -10.900 10.901 623 HG2 LYS 75 HG2 LYS 75 -3.092 -12.172 12.990 624 HG3 LYS 75 HG3 LYS 75 -4.832 -12.092 13.273 625 HD2 LYS 75 HD2 LYS 75 -3.463 -13.504 10.949 626 HD3 LYS 75 HD3 LYS 75 -4.168 -14.291 12.363 627 HE2 LYS 75 HE2 LYS 75 -6.408 -13.494 11.704 628 HE3 LYS 75 HE3 LYS 75 -5.712 -12.660 10.310 629 HZ1 LYS 75 HZ1 LYS 75 -5.672 -15.590 10.779 630 HZ2 LYS 75 HZ2 LYS 75 -4.977 -14.805 9.457 631 HZ3 LYS 75 HZ3 LYS 75 -6.653 -14.774 9.671 632 H GLU 76 H GLU 76 -1.785 -8.710 11.519 633 HA GLU 76 HA GLU 76 -0.028 -9.577 13.624 634 HB2 GLU 76 HB2 GLU 76 0.456 -7.593 11.356 635 HB3 GLU 76 HB3 GLU 76 1.709 -8.293 12.371 636 HG2 GLU 76 HG2 GLU 76 -0.076 -9.858 10.486 637 HG3 GLU 76 HG3 GLU 76 1.556 -9.319 10.114 638 H GLY 77 H GLY 77 -2.156 -6.952 13.371 639 HA2 GLY 77 HA2 GLY 77 -2.659 -5.267 14.847 640 HA3 GLY 77 HA3 GLY 77 -1.282 -5.740 15.837 641 H LEU 78 H LEU 78 -1.520 -4.742 12.449 642 HA LEU 78 HA LEU 78 0.444 -2.566 12.928 643 HB2 LEU 78 HB2 LEU 78 0.031 -4.093 10.319 644 HB3 LEU 78 HB3 LEU 78 1.316 -2.954 10.695 645 HG LEU 78 HG LEU 78 0.975 -5.762 11.814 646 HD11 LEU 78 HD11 LEU 78 3.110 -6.238 10.714 647 HD12 LEU 78 HD12 LEU 78 3.148 -4.598 10.058 648 HD13 LEU 78 HD13 LEU 78 1.879 -5.721 9.561 649 HD21 LEU 78 HD21 LEU 78 1.794 -4.359 13.619 650 HD22 LEU 78 HD22 LEU 78 3.072 -3.719 12.590 651 HD23 LEU 78 HD23 LEU 78 3.078 -5.422 13.051 652 H ARG 79 H ARG 79 0.168 -0.636 11.681 653 HA ARG 79 HA ARG 79 -2.554 0.124 11.123 654 HB2 ARG 79 HB2 ARG 79 0.114 1.545 10.942 655 HB3 ARG 79 HB3 ARG 79 -1.285 2.254 10.149 656 HG2 ARG 79 HG2 ARG 79 -0.912 3.236 12.362 657 HG3 ARG 79 HG3 ARG 79 -2.465 2.410 12.281 658 HD2 ARG 79 HD2 ARG 79 -1.432 0.453 13.461 659 HD3 ARG 79 HD3 ARG 79 0.066 1.378 13.614 660 HE ARG 79 HE ARG 79 -1.269 3.030 14.914 661 HH11 ARG 79 HH11 ARG 79 -2.398 -0.296 14.772 662 HH12 ARG 79 HH12 ARG 79 -3.261 -0.196 16.272 663 HH21 ARG 79 HH21 ARG 79 -2.376 3.141 16.888 664 HH22 ARG 79 HH22 ARG 79 -3.247 1.761 17.474 665 H VAL 80 H VAL 80 -3.555 -0.513 9.340 666 HA VAL 80 HA VAL 80 -2.055 -1.243 6.919 667 HB VAL 80 HB VAL 80 -5.039 -1.618 7.446 668 HG11 VAL 80 HG11 VAL 80 -4.909 -3.309 5.655 669 HG12 VAL 80 HG12 VAL 80 -3.191 -2.967 5.440 670 HG13 VAL 80 HG13 VAL 80 -4.391 -1.724 5.071 671 HG21 VAL 80 HG21 VAL 80 -4.546 -3.955 8.088 672 HG22 VAL 80 HG22 VAL 80 -3.802 -2.805 9.201 673 HG23 VAL 80 HG23 VAL 80 -2.814 -3.618 7.988 674 H ILE 81 H ILE 81 -1.777 0.356 5.519 675 HA ILE 81 HA ILE 81 -3.873 2.402 5.102 676 HB ILE 81 HB ILE 81 -0.838 2.574 4.856 677 HG12 ILE 81 HG12 ILE 81 -1.207 4.771 6.122 678 HG13 ILE 81 HG13 ILE 81 -2.898 4.328 6.282 679 HG21 ILE 81 HG21 ILE 81 -1.095 4.792 3.736 680 HG22 ILE 81 HG22 ILE 81 -2.813 4.463 3.541 681 HG23 ILE 81 HG23 ILE 81 -1.624 3.442 2.733 682 HD11 ILE 81 HD11 ILE 81 -0.566 2.804 7.426 683 HD12 ILE 81 HD12 ILE 81 -2.269 2.410 7.641 684 HD13 ILE 81 HD13 ILE 81 -1.621 3.904 8.310 685 H VAL 82 H VAL 82 -5.032 1.902 3.329 686 HA VAL 82 HA VAL 82 -3.793 0.406 1.089 687 HB VAL 82 HB VAL 82 -6.744 0.884 1.758 688 HG11 VAL 82 HG11 VAL 82 -5.538 -0.884 -0.398 689 HG12 VAL 82 HG12 VAL 82 -6.432 0.614 -0.659 690 HG13 VAL 82 HG13 VAL 82 -7.252 -0.795 0.016 691 HG21 VAL 82 HG21 VAL 82 -5.681 -0.608 3.409 692 HG22 VAL 82 HG22 VAL 82 -5.092 -1.651 2.112 693 HG23 VAL 82 HG23 VAL 82 -6.827 -1.503 2.405 694 H ILE 83 H ILE 83 -3.031 1.788 -0.480 695 HA ILE 83 HA ILE 83 -4.459 4.335 -1.043 696 HB ILE 83 HB ILE 83 -1.564 3.550 -1.645 697 HG12 ILE 83 HG12 ILE 83 -2.652 5.547 0.392 698 HG13 ILE 83 HG13 ILE 83 -2.050 3.942 0.780 699 HG21 ILE 83 HG21 ILE 83 -1.245 5.911 -2.348 700 HG22 ILE 83 HG22 ILE 83 -2.970 6.209 -2.127 701 HG23 ILE 83 HG23 ILE 83 -2.423 5.081 -3.371 702 HD11 ILE 83 HD11 ILE 83 -0.419 5.613 1.307 703 HD12 ILE 83 HD12 ILE 83 -0.436 6.221 -0.348 704 HD13 ILE 83 HD13 ILE 83 0.173 4.600 -0.008 705 H ILE 84 H ILE 84 -5.771 4.116 -2.773 706 HA ILE 84 HA ILE 84 -5.078 2.180 -4.909 707 HB ILE 84 HB ILE 84 -7.796 3.360 -4.169 708 HG12 ILE 84 HG12 ILE 84 -6.628 0.574 -3.691 709 HG13 ILE 84 HG13 ILE 84 -6.870 1.801 -2.457 710 HG21 ILE 84 HG21 ILE 84 -8.745 1.698 -5.749 711 HG22 ILE 84 HG22 ILE 84 -7.115 1.196 -6.203 712 HG23 ILE 84 HG23 ILE 84 -7.672 2.828 -6.582 713 HD11 ILE 84 HD11 ILE 84 -8.555 0.130 -2.319 714 HD12 ILE 84 HD12 ILE 84 -9.012 0.375 -4.004 715 HD13 ILE 84 HD13 ILE 84 -9.279 1.657 -2.817 716 H VAL 85 H VAL 85 -4.587 2.914 -6.851 717 HA VAL 85 HA VAL 85 -4.886 5.758 -7.562 718 HB VAL 85 HB VAL 85 -2.890 3.811 -8.814 719 HG11 VAL 85 HG11 VAL 85 -1.686 5.872 -9.464 720 HG12 VAL 85 HG12 VAL 85 -2.925 6.849 -8.675 721 HG13 VAL 85 HG13 VAL 85 -3.341 5.867 -10.082 722 HG21 VAL 85 HG21 VAL 85 -2.403 3.811 -6.405 723 HG22 VAL 85 HG22 VAL 85 -2.331 5.574 -6.399 724 HG23 VAL 85 HG23 VAL 85 -1.126 4.647 -7.296 725 H SER 86 H SER 86 -6.588 5.952 -8.920 726 HA SER 86 HA SER 86 -6.781 4.317 -11.319 727 HB2 SER 86 HB2 SER 86 -8.127 3.012 -9.678 728 HB3 SER 86 HB3 SER 86 -9.094 4.441 -9.325 729 HG SER 86 HG SER 86 -9.122 2.758 -11.545 730 H GLN 87 H GLN 87 -7.638 5.439 -12.988 731 HA GLN 87 HA GLN 87 -8.253 8.228 -12.821 732 HB2 GLN 87 HB2 GLN 87 -8.784 8.061 -15.223 733 HB3 GLN 87 HB3 GLN 87 -7.285 7.207 -14.871 734 HG2 GLN 87 HG2 GLN 87 -8.485 5.048 -14.933 735 HG3 GLN 87 HG3 GLN 87 -9.997 5.890 -15.261 736 HE21 GLN 87 HE21 GLN 87 -8.695 3.850 -16.860 737 HE22 GLN 87 HE22 GLN 87 -8.401 4.558 -18.406 738 H ASP 88 H ASP 88 -10.097 5.292 -12.652 739 HA ASP 88 HA ASP 88 -12.718 6.493 -12.967 740 HB2 ASP 88 HB2 ASP 88 -11.943 3.725 -11.931 741 HB3 ASP 88 HB3 ASP 88 -13.565 4.244 -12.377 742 H GLU 89 H GLU 89 -13.232 7.905 -11.383 743 HA GLU 89 HA GLU 89 -12.583 7.794 -8.648 744 HB2 GLU 89 HB2 GLU 89 -13.474 9.771 -10.047 745 HB3 GLU 89 HB3 GLU 89 -15.077 9.093 -9.835 746 HG2 GLU 89 HG2 GLU 89 -13.287 9.937 -7.532 747 HG3 GLU 89 HG3 GLU 89 -14.460 10.998 -8.295 748 H GLU 90 H GLU 90 -15.153 6.337 -10.533 749 HA GLU 90 HA GLU 90 -16.855 5.341 -8.532 750 HB2 GLU 90 HB2 GLU 90 -16.177 4.176 -11.264 751 HB3 GLU 90 HB3 GLU 90 -17.579 3.728 -10.295 752 HG2 GLU 90 HG2 GLU 90 -18.537 5.942 -10.540 753 HG3 GLU 90 HG3 GLU 90 -17.074 6.539 -11.320 754 H ALA 91 H ALA 91 -13.919 3.940 -9.997 755 HA ALA 91 HA ALA 91 -13.941 1.468 -8.556 756 HB1 ALA 91 HB1 ALA 91 -12.705 1.734 -10.665 757 HB2 ALA 91 HB2 ALA 91 -11.631 1.205 -9.368 758 HB3 ALA 91 HB3 ALA 91 -11.619 2.892 -9.899 759 H LEU 92 H LEU 92 -12.343 4.607 -8.076 760 HA LEU 92 HA LEU 92 -10.869 4.072 -5.762 761 HB2 LEU 92 HB2 LEU 92 -12.197 6.641 -6.702 762 HB3 LEU 92 HB3 LEU 92 -11.131 6.575 -5.308 763 HG LEU 92 HG LEU 92 -10.339 5.994 -8.191 764 HD11 LEU 92 HD11 LEU 92 -9.605 8.306 -6.366 765 HD12 LEU 92 HD12 LEU 92 -10.699 8.375 -7.749 766 HD13 LEU 92 HD13 LEU 92 -8.988 8.039 -8.000 767 HD21 LEU 92 HD21 LEU 92 -9.067 4.559 -6.663 768 HD22 LEU 92 HD22 LEU 92 -8.610 5.961 -5.691 769 HD23 LEU 92 HD23 LEU 92 -8.031 5.806 -7.353 770 H ARG 93 H ARG 93 -14.264 4.964 -6.185 771 HA ARG 93 HA ARG 93 -14.922 5.444 -3.472 772 HB2 ARG 93 HB2 ARG 93 -16.319 6.311 -5.292 773 HB3 ARG 93 HB3 ARG 93 -16.678 4.678 -5.851 774 HG2 ARG 93 HG2 ARG 93 -17.878 4.217 -3.743 775 HG3 ARG 93 HG3 ARG 93 -17.514 5.843 -3.174 776 HD2 ARG 93 HD2 ARG 93 -18.915 6.811 -4.902 777 HD3 ARG 93 HD3 ARG 93 -19.165 5.229 -5.647 778 HE ARG 93 HE ARG 93 -20.051 5.714 -2.873 779 HH11 ARG 93 HH11 ARG 93 -20.912 4.906 -6.192 780 HH12 ARG 93 HH12 ARG 93 -22.541 4.470 -5.786 781 HH21 ARG 93 HH21 ARG 93 -22.189 5.152 -2.366 782 HH22 ARG 93 HH22 ARG 93 -23.263 4.610 -3.615 783 H LYS 94 H LYS 94 -15.204 2.526 -5.546 784 HA LYS 94 HA LYS 94 -16.522 0.840 -3.696 785 HB2 LYS 94 HB2 LYS 94 -14.628 0.096 -5.974 786 HB3 LYS 94 HB3 LYS 94 -15.595 -1.070 -5.073 787 HG2 LYS 94 HG2 LYS 94 -17.657 0.071 -5.875 788 HG3 LYS 94 HG3 LYS 94 -16.650 1.151 -6.847 789 HD2 LYS 94 HD2 LYS 94 -15.788 -0.786 -8.122 790 HD3 LYS 94 HD3 LYS 94 -16.744 -1.884 -7.122 791 HE2 LYS 94 HE2 LYS 94 -18.815 -0.749 -7.961 792 HE3 LYS 94 HE3 LYS 94 -17.803 0.211 -9.045 793 HZ1 LYS 94 HZ1 LYS 94 -18.729 -1.691 -10.181 794 HZ2 LYS 94 HZ2 LYS 94 -18.059 -2.748 -9.051 795 HZ3 LYS 94 HZ3 LYS 94 -17.052 -1.860 -10.075 796 H GLY 95 H GLY 95 -13.085 1.205 -4.512 797 HA2 GLY 95 HA2 GLY 95 -12.102 -0.749 -2.694 798 HA3 GLY 95 HA3 GLY 95 -11.169 0.458 -3.549 799 H TYR 96 H TYR 96 -12.652 2.723 -2.442 800 HA TYR 96 HA TYR 96 -11.076 3.227 -0.149 801 HB2 TYR 96 HB2 TYR 96 -11.815 5.090 -1.517 802 HB3 TYR 96 HB3 TYR 96 -13.505 4.701 -1.238 803 HD1 TYR 96 HD2 TYR 96 -10.419 5.472 0.797 804 HD2 TYR 96 HD1 TYR 96 -14.627 6.095 0.329 805 HE1 TYR 96 HE2 TYR 96 -10.407 6.986 2.726 806 HE2 TYR 96 HE1 TYR 96 -14.609 7.605 2.272 807 HH TYR 96 HH TYR 96 -11.714 8.763 3.702 808 H GLU 97 H GLU 97 -14.575 2.741 -0.521 809 HA GLU 97 HA GLU 97 -15.051 2.946 2.288 810 HB2 GLU 97 HB2 GLU 97 -16.929 2.102 0.043 811 HB3 GLU 97 HB3 GLU 97 -17.408 2.490 1.698 812 HG2 GLU 97 HG2 GLU 97 -16.472 4.801 1.382 813 HG3 GLU 97 HG3 GLU 97 -16.155 4.397 -0.307 814 H ASP 98 H ASP 98 -14.939 0.229 -0.023 815 HA ASP 98 HA ASP 98 -15.967 -1.826 1.568 816 HB2 ASP 98 HB2 ASP 98 -15.562 -2.113 -0.832 817 HB3 ASP 98 HB3 ASP 98 -13.828 -1.948 -0.601 818 H LYS 99 H LYS 99 -12.578 -0.753 1.265 819 HA LYS 99 HA LYS 99 -11.567 -2.706 3.144 820 HB2 LYS 99 HB2 LYS 99 -10.286 -0.408 1.627 821 HB3 LYS 99 HB3 LYS 99 -9.404 -1.246 2.896 822 HG2 LYS 99 HG2 LYS 99 -8.766 -2.151 0.737 823 HG3 LYS 99 HG3 LYS 99 -9.648 -3.382 1.648 824 HD2 LYS 99 HD2 LYS 99 -11.689 -2.896 0.334 825 HD3 LYS 99 HD3 LYS 99 -10.827 -1.641 -0.554 826 HE2 LYS 99 HE2 LYS 99 -9.342 -3.319 -1.534 827 HE3 LYS 99 HE3 LYS 99 -10.122 -4.589 -0.583 828 HZ1 LYS 99 HZ1 LYS 99 -12.174 -4.176 -1.745 829 HZ2 LYS 99 HZ2 LYS 99 -10.953 -4.490 -2.851 830 HZ3 LYS 99 HZ3 LYS 99 -11.482 -2.907 -2.618 831 H LYS 100 H LYS 100 -12.483 0.707 3.252 832 HA LYS 100 HA LYS 100 -11.433 1.323 5.829 833 HB2 LYS 100 HB2 LYS 100 -11.993 3.018 4.111 834 HB3 LYS 100 HB3 LYS 100 -13.702 2.636 4.285 835 HG2 LYS 100 HG2 LYS 100 -13.663 3.484 6.600 836 HG3 LYS 100 HG3 LYS 100 -11.936 3.832 6.449 837 HD2 LYS 100 HD2 LYS 100 -12.376 5.486 4.701 838 HD3 LYS 100 HD3 LYS 100 -14.094 5.069 4.689 839 HE2 LYS 100 HE2 LYS 100 -12.627 6.269 7.065 840 HE3 LYS 100 HE3 LYS 100 -13.596 7.185 5.910 841 HZ1 LYS 100 HZ1 LYS 100 -14.597 5.015 7.674 842 HZ2 LYS 100 HZ2 LYS 100 -15.530 5.878 6.562 843 HZ3 LYS 100 HZ3 LYS 100 -14.855 6.670 7.895 844 H LYS 101 H LYS 101 -14.425 -0.144 4.740 845 HA LYS 101 HA LYS 101 -15.910 -0.116 7.175 846 HB2 LYS 101 HB2 LYS 101 -16.001 -1.975 4.762 847 HB3 LYS 101 HB3 LYS 101 -17.132 -2.096 6.107 848 HG2 LYS 101 HG2 LYS 101 -18.077 0.067 5.620 849 HG3 LYS 101 HG3 LYS 101 -16.820 0.412 4.431 850 HD2 LYS 101 HD2 LYS 101 -18.943 -0.219 3.325 851 HD3 LYS 101 HD3 LYS 101 -17.665 -1.381 2.971 852 HE2 LYS 101 HE2 LYS 101 -18.601 -2.910 4.693 853 HE3 LYS 101 HE3 LYS 101 -19.888 -1.747 5.012 854 HZ1 LYS 101 HZ1 LYS 101 -20.735 -2.058 2.830 855 HZ2 LYS 101 HZ2 LYS 101 -20.513 -3.590 3.506 856 HZ3 LYS 101 HZ3 LYS 101 -19.414 -2.999 2.363 857 H LYS 102 H LYS 102 -13.444 -2.229 5.815 858 HA LYS 102 HA LYS 102 -13.576 -4.234 7.908 859 HB2 LYS 102 HB2 LYS 102 -11.322 -3.790 5.909 860 HB3 LYS 102 HB3 LYS 102 -11.706 -5.276 6.777 861 HG2 LYS 102 HG2 LYS 102 -13.792 -5.492 5.473 862 HG3 LYS 102 HG3 LYS 102 -13.410 -3.987 4.631 863 HD2 LYS 102 HD2 LYS 102 -11.178 -5.222 3.958 864 HD3 LYS 102 HD3 LYS 102 -12.055 -6.688 4.406 865 HE2 LYS 102 HE2 LYS 102 -12.752 -4.697 2.230 866 HE3 LYS 102 HE3 LYS 102 -12.324 -6.398 2.043 867 HZ1 LYS 102 HZ1 LYS 102 -14.694 -6.023 1.793 868 HZ2 LYS 102 HZ2 LYS 102 -14.783 -5.372 3.348 869 HZ3 LYS 102 HZ3 LYS 102 -14.386 -6.999 3.138 870 H GLY 103 H GLY 103 -12.482 -1.105 7.918 871 HA2 GLY 103 HA2 GLY 103 -11.479 0.052 9.629 872 HA3 GLY 103 HA3 GLY 103 -11.028 -1.462 10.392 873 H TYR 104 H TYR 104 -10.298 -0.188 7.152 874 HA TYR 104 HA TYR 104 -7.407 -0.089 7.833 875 HB2 TYR 104 HB2 TYR 104 -8.574 -0.424 5.034 876 HB3 TYR 104 HB3 TYR 104 -6.885 -0.563 5.501 877 HD1 TYR 104 HD2 TYR 104 -7.189 -2.414 7.922 878 HD2 TYR 104 HD1 TYR 104 -8.985 -2.541 4.055 879 HE1 TYR 104 HE2 TYR 104 -7.486 -4.843 8.127 880 HE2 TYR 104 HE1 TYR 104 -9.281 -4.960 4.261 881 HH TYR 104 HH TYR 104 -8.260 -6.838 5.509 882 H ASP 105 H ASP 105 -6.320 1.818 7.374 883 HA ASP 105 HA ASP 105 -7.829 4.231 6.855 884 HB2 ASP 105 HB2 ASP 105 -4.803 3.816 7.034 885 HB3 ASP 105 HB3 ASP 105 -5.627 5.372 7.072 886 H VAL 106 H VAL 106 -8.581 4.382 4.755 887 HA VAL 106 HA VAL 106 -6.800 3.533 2.556 888 HB VAL 106 HB VAL 106 -9.806 4.014 2.326 889 HG11 VAL 106 HG11 VAL 106 -7.841 2.505 0.548 890 HG12 VAL 106 HG12 VAL 106 -8.599 4.055 0.178 891 HG13 VAL 106 HG13 VAL 106 -9.585 2.595 0.284 892 HG21 VAL 106 HG21 VAL 106 -9.439 2.241 3.995 893 HG22 VAL 106 HG22 VAL 106 -8.382 1.381 2.873 894 HG23 VAL 106 HG23 VAL 106 -10.099 1.559 2.505 895 H TYR 107 H TYR 107 -6.303 4.857 0.905 896 HA TYR 107 HA TYR 107 -7.084 7.699 0.936 897 HB2 TYR 107 HB2 TYR 107 -4.322 6.488 0.402 898 HB3 TYR 107 HB3 TYR 107 -4.733 8.177 0.136 899 HD1 TYR 107 HD2 TYR 107 -4.353 5.578 2.796 900 HD2 TYR 107 HD1 TYR 107 -4.635 9.761 1.959 901 HE1 TYR 107 HE2 TYR 107 -3.689 6.083 5.108 902 HE2 TYR 107 HE1 TYR 107 -3.970 10.263 4.270 903 HH TYR 107 HH TYR 107 -2.661 7.927 6.373 904 H THR 108 H THR 108 -7.700 8.424 -1.052 905 HA THR 108 HA THR 108 -7.453 6.625 -3.393 906 HB THR 108 HB THR 108 -9.377 7.986 -4.329 907 HG1 THR 108 HG1 THR 108 -9.566 9.844 -3.260 908 HG21 THR 108 HG21 THR 108 -9.794 5.807 -3.213 909 HG22 THR 108 HG22 THR 108 -11.126 6.936 -2.964 910 HG23 THR 108 HG23 THR 108 -9.970 6.643 -1.665 911 H SER 109 H SER 109 -6.586 7.397 -5.269 912 HA SER 109 HA SER 109 -5.549 10.163 -5.329 913 HB2 SER 109 HB2 SER 109 -3.459 9.229 -6.404 914 HB3 SER 109 HB3 SER 109 -3.669 8.770 -4.715 915 HG SER 109 HG SER 109 -4.500 6.773 -5.460 916 H ARG 110 H ARG 110 -5.944 11.205 -7.155 917 HA ARG 110 HA ARG 110 -7.508 9.972 -9.251 918 HB2 ARG 110 HB2 ARG 110 -6.487 12.837 -9.033 919 HB3 ARG 110 HB3 ARG 110 -7.709 12.261 -10.160 920 HG2 ARG 110 HG2 ARG 110 -7.974 12.403 -7.139 921 HG3 ARG 110 HG3 ARG 110 -8.753 13.465 -8.312 922 HD2 ARG 110 HD2 ARG 110 -9.264 10.479 -8.035 923 HD3 ARG 110 HD3 ARG 110 -10.296 11.757 -7.399 924 HE ARG 110 HE ARG 110 -10.800 12.420 -9.672 925 HH11 ARG 110 HH11 ARG 110 -9.317 9.241 -9.382 926 HH12 ARG 110 HH12 ARG 110 -9.921 8.693 -10.906 927 HH21 ARG 110 HH21 ARG 110 -11.567 11.676 -11.676 928 HH22 ARG 110 HH22 ARG 110 -11.192 10.065 -12.202 929 H ASN 111 H ASN 111 -4.190 10.566 -8.706 930 HA ASN 111 HA ASN 111 -3.352 9.571 -11.261 931 HB2 ASN 111 HB2 ASN 111 -2.177 11.556 -12.067 932 HB3 ASN 111 HB3 ASN 111 -3.868 11.969 -11.813 933 HD21 ASN 111 HD21 ASN 111 -4.403 13.312 -10.015 934 HD22 ASN 111 HD22 ASN 111 -3.210 14.308 -9.259 935 H GLU 112 H GLU 112 -0.765 10.172 -11.360 936 HA GLU 112 HA GLU 112 0.431 8.543 -9.392 937 HB2 GLU 112 HB2 GLU 112 1.262 8.738 -11.716 938 HB3 GLU 112 HB3 GLU 112 1.717 10.410 -11.421 939 HG2 GLU 112 HG2 GLU 112 3.160 9.224 -9.443 940 HG3 GLU 112 HG3 GLU 112 3.090 7.879 -10.582 941 H ASP 113 H ASP 113 0.492 12.104 -9.877 942 HA ASP 113 HA ASP 113 2.415 12.751 -7.914 943 HB2 ASP 113 HB2 ASP 113 0.110 14.445 -8.965 944 HB3 ASP 113 HB3 ASP 113 1.427 15.073 -7.975 945 H GLU 114 H GLU 114 -1.122 12.514 -7.726 946 HA GLU 114 HA GLU 114 -1.433 13.127 -4.998 947 HB2 GLU 114 HB2 GLU 114 -3.098 11.609 -7.003 948 HB3 GLU 114 HB3 GLU 114 -3.535 11.493 -5.302 949 HG2 GLU 114 HG2 GLU 114 -3.262 14.057 -6.858 950 HG3 GLU 114 HG3 GLU 114 -4.786 13.247 -6.492 951 H ALA 115 H ALA 115 -0.975 9.995 -6.636 952 HA ALA 115 HA ALA 115 -1.175 8.280 -4.426 953 HB1 ALA 115 HB1 ALA 115 0.007 6.639 -5.848 954 HB2 ALA 115 HB2 ALA 115 0.485 7.931 -6.955 955 HB3 ALA 115 HB3 ALA 115 -1.220 7.508 -6.769 956 H LYS 116 H LYS 116 1.563 9.996 -5.779 957 HA LYS 116 HA LYS 116 3.663 8.819 -4.289 958 HB2 LYS 116 HB2 LYS 116 3.909 9.951 -6.477 959 HB3 LYS 116 HB3 LYS 116 3.476 11.491 -5.748 960 HG2 LYS 116 HG2 LYS 116 5.527 11.616 -4.543 961 HG3 LYS 116 HG3 LYS 116 5.901 9.917 -4.843 962 HD2 LYS 116 HD2 LYS 116 5.793 12.085 -6.979 963 HD3 LYS 116 HD3 LYS 116 7.271 11.457 -6.246 964 HE2 LYS 116 HE2 LYS 116 6.770 9.210 -7.151 965 HE3 LYS 116 HE3 LYS 116 5.283 9.828 -7.878 966 HZ1 LYS 116 HZ1 LYS 116 7.000 9.728 -9.526 967 HZ2 LYS 116 HZ2 LYS 116 8.058 10.631 -8.566 968 HZ3 LYS 116 HZ3 LYS 116 6.668 11.354 -9.200 969 H LYS 117 H LYS 117 1.719 11.746 -3.895 970 HA LYS 117 HA LYS 117 2.926 12.660 -1.486 971 HB2 LYS 117 HB2 LYS 117 1.883 14.093 -3.177 972 HB3 LYS 117 HB3 LYS 117 0.333 13.319 -2.929 973 HG2 LYS 117 HG2 LYS 117 1.636 14.690 -0.598 974 HG3 LYS 117 HG3 LYS 117 0.930 15.681 -1.870 975 HD2 LYS 117 HD2 LYS 117 -0.521 13.613 -0.175 976 HD3 LYS 117 HD3 LYS 117 -0.700 15.366 -0.073 977 HE2 LYS 117 HE2 LYS 117 -1.598 15.396 -2.392 978 HE3 LYS 117 HE3 LYS 117 -1.453 13.637 -2.459 979 HZ1 LYS 117 HZ1 LYS 117 -3.211 15.223 -0.676 980 HZ2 LYS 117 HZ2 LYS 117 -3.003 13.554 -0.556 981 HZ3 LYS 117 HZ3 LYS 117 -3.688 14.220 -1.955 982 H LYS 118 H LYS 118 0.311 10.403 -2.260 983 HA LYS 118 HA LYS 118 -0.926 10.334 0.327 984 HB2 LYS 118 HB2 LYS 118 -1.044 8.413 -2.036 985 HB3 LYS 118 HB3 LYS 118 -1.911 8.103 -0.539 986 HG2 LYS 118 HG2 LYS 118 -2.350 10.443 -2.420 987 HG3 LYS 118 HG3 LYS 118 -3.414 9.053 -2.192 988 HD2 LYS 118 HD2 LYS 118 -3.789 9.735 0.157 989 HD3 LYS 118 HD3 LYS 118 -2.726 11.123 -0.076 990 HE2 LYS 118 HE2 LYS 118 -4.300 12.023 -1.760 991 HE3 LYS 118 HE3 LYS 118 -5.370 10.638 -1.487 992 HZ1 LYS 118 HZ1 LYS 118 -5.618 11.304 0.805 993 HZ2 LYS 118 HZ2 LYS 118 -6.035 12.598 -0.201 994 HZ3 LYS 118 HZ3 LYS 118 -4.545 12.588 0.599 995 H LEU 119 H LEU 119 1.595 8.396 -1.282 996 HA LEU 119 HA LEU 119 2.108 6.545 0.766 997 HB2 LEU 119 HB2 LEU 119 3.746 7.628 -1.513 998 HB3 LEU 119 HB3 LEU 119 4.610 6.805 -0.225 999 HG LEU 119 HG LEU 119 3.108 4.790 -0.605 1000 HD11 LEU 119 HD11 LEU 119 2.310 6.234 -3.139 1001 HD12 LEU 119 HD12 LEU 119 1.254 5.858 -1.776 1002 HD13 LEU 119 HD13 LEU 119 1.949 4.554 -2.735 1003 HD21 LEU 119 HD21 LEU 119 5.395 4.874 -1.411 1004 HD22 LEU 119 HD22 LEU 119 4.869 5.656 -2.904 1005 HD23 LEU 119 HD23 LEU 119 4.365 4.000 -2.543 1006 H LYS 120 H LYS 120 3.319 9.838 0.229 1007 HA LYS 120 HA LYS 120 4.990 9.990 2.502 1008 HB2 LYS 120 HB2 LYS 120 3.572 12.157 0.905 1009 HB3 LYS 120 HB3 LYS 120 4.660 12.513 2.246 1010 HG2 LYS 120 HG2 LYS 120 6.464 11.248 1.036 1011 HG3 LYS 120 HG3 LYS 120 5.375 11.133 -0.355 1012 HD2 LYS 120 HD2 LYS 120 5.303 13.581 -0.545 1013 HD3 LYS 120 HD3 LYS 120 6.274 13.755 0.921 1014 HE2 LYS 120 HE2 LYS 120 7.199 12.488 -1.678 1015 HE3 LYS 120 HE3 LYS 120 7.627 14.099 -1.104 1016 HZ1 LYS 120 HZ1 LYS 120 8.808 13.146 0.732 1017 HZ2 LYS 120 HZ2 LYS 120 9.346 12.396 -0.687 1018 HZ3 LYS 120 HZ3 LYS 120 8.281 11.588 0.347 1019 H GLU 121 H GLU 121 1.504 10.632 2.085 1020 HA GLU 121 HA GLU 121 0.995 11.657 4.678 1021 HB2 GLU 121 HB2 GLU 121 -0.836 10.232 2.723 1022 HB3 GLU 121 HB3 GLU 121 -1.402 10.865 4.269 1023 HG2 GLU 121 HG2 GLU 121 -0.570 13.145 3.530 1024 HG3 GLU 121 HG3 GLU 121 -0.287 12.440 1.933 1025 H ALA 122 H ALA 122 1.270 8.370 3.485 1026 HA ALA 122 HA ALA 122 0.369 7.067 5.887 1027 HB1 ALA 122 HB1 ALA 122 2.011 6.008 3.558 1028 HB2 ALA 122 HB2 ALA 122 0.253 5.986 3.676 1029 HB3 ALA 122 HB3 ALA 122 1.213 5.028 4.802 1030 H LEU 123 H LEU 123 3.547 7.724 4.420 1031 HA LEU 123 HA LEU 123 5.072 6.255 6.312 1032 HB2 LEU 123 HB2 LEU 123 5.861 8.240 4.136 1033 HB3 LEU 123 HB3 LEU 123 7.043 7.391 5.124 1034 HG LEU 123 HG LEU 123 5.045 6.060 3.240 1035 HD11 LEU 123 HD11 LEU 123 6.803 7.236 2.003 1036 HD12 LEU 123 HD12 LEU 123 6.983 5.490 1.841 1037 HD13 LEU 123 HD13 LEU 123 8.049 6.391 2.925 1038 HD21 LEU 123 HD21 LEU 123 7.237 4.794 4.917 1039 HD22 LEU 123 HD22 LEU 123 6.247 3.963 3.714 1040 HD23 LEU 123 HD23 LEU 123 5.496 4.625 5.162 1041 H GLU 124 H GLU 124 4.512 9.742 5.868 1042 HA GLU 124 HA GLU 124 6.247 10.745 7.822 1043 HB2 GLU 124 HB2 GLU 124 3.706 11.818 6.575 1044 HB3 GLU 124 HB3 GLU 124 4.516 12.727 7.843 1045 HG2 GLU 124 HG2 GLU 124 6.526 12.923 6.517 1046 HG3 GLU 124 HG3 GLU 124 5.882 11.852 5.280 1047 H LYS 125 H LYS 125 2.876 9.673 8.135 1048 HA LYS 125 HA LYS 125 2.636 10.412 10.920 1049 HB2 LYS 125 HB2 LYS 125 0.804 8.781 9.119 1050 HB3 LYS 125 HB3 LYS 125 0.383 9.344 10.737 1051 HG2 LYS 125 HG2 LYS 125 0.539 11.687 9.986 1052 HG3 LYS 125 HG3 LYS 125 1.040 11.153 8.377 1053 HD2 LYS 125 HD2 LYS 125 -1.175 9.959 8.157 1054 HD3 LYS 125 HD3 LYS 125 -1.666 10.675 9.697 1055 HE2 LYS 125 HE2 LYS 125 -2.552 11.934 7.752 1056 HE3 LYS 125 HE3 LYS 125 -1.473 12.925 8.734 1057 HZ1 LYS 125 HZ1 LYS 125 -0.627 11.517 6.260 1058 HZ2 LYS 125 HZ2 LYS 125 0.264 12.654 7.142 1059 HZ3 LYS 125 HZ3 LYS 125 -1.126 13.128 6.306 1060 H SER 126 H SER 126 3.956 7.704 9.274 1061 HA SER 126 HA SER 126 3.289 5.761 11.373 1062 HB2 SER 126 HB2 SER 126 4.100 4.056 9.819 1063 HB3 SER 126 HB3 SER 126 2.934 5.103 9.018 1064 HG SER 126 HG SER 126 4.408 5.370 7.595 1065 H GLY 127 H GLY 127 5.981 7.701 10.376 1066 HA2 GLY 127 HA2 GLY 127 7.590 7.721 12.429 1067 HA3 GLY 127 HA3 GLY 127 7.900 6.063 11.938 1068 H SER 128 H SER 128 7.507 7.242 9.051 1069 HA SER 128 HA SER 128 10.343 7.930 8.641 1070 HB2 SER 128 HB2 SER 128 8.142 7.196 6.643 1071 HB3 SER 128 HB3 SER 128 9.862 7.367 6.282 1072 HG SER 128 HG SER 128 10.297 5.606 7.546 1073 H LEU 129 H LEU 129 10.704 10.107 8.800 1074 HA LEU 129 HA LEU 129 10.491 12.325 8.872 1075 HB2 LEU 129 HB2 LEU 129 8.549 11.909 6.589 1076 HB3 LEU 129 HB3 LEU 129 8.768 13.499 7.292 1077 HG LEU 129 HG LEU 129 10.109 13.328 5.295 1078 HD11 LEU 129 HD11 LEU 129 11.918 13.243 7.723 1079 HD12 LEU 129 HD12 LEU 129 11.062 14.660 7.107 1080 HD13 LEU 129 HD13 LEU 129 12.327 13.910 6.139 1081 HD21 LEU 129 HD21 LEU 129 10.328 10.893 5.209 1082 HD22 LEU 129 HD22 LEU 129 11.501 10.952 6.521 1083 HD23 LEU 129 HD23 LEU 129 11.878 11.703 4.968 1084 H GLU 130 H GLU 130 9.798 11.745 10.985 1085 HA GLU 130 HA GLU 130 7.050 11.785 11.791 1086 HB2 GLU 130 HB2 GLU 130 9.601 12.207 13.407 1087 HB3 GLU 130 HB3 GLU 130 8.001 11.922 14.096 1088 HG2 GLU 130 HG2 GLU 130 7.937 9.691 13.037 1089 HG3 GLU 130 HG3 GLU 130 9.526 9.974 12.334 1090 H HIS 131 H HIS 131 6.099 13.393 13.212 1091 HA HIS 131 HA HIS 131 5.321 15.417 13.787 1092 HB2 HIS 131 HB2 HIS 131 7.486 15.958 14.760 1093 HB3 HIS 131 HB3 HIS 131 8.157 16.361 13.187 1094 HD2 HIS 131 HD2 HIS 131 7.802 18.972 12.389 1095 HE1 HIS 131 HE1 HIS 131 5.358 20.120 15.631 1096 HE2 HIS 131 HE2 HIS 131 6.556 20.911 13.555 1097 H HIS 132 H HIS 132 3.934 16.666 12.674 1098 HA HIS 132 HA HIS 132 3.524 16.216 9.973 1099 HB2 HIS 132 HB2 HIS 132 2.388 18.468 11.683 1100 HB3 HIS 132 HB3 HIS 132 1.746 17.970 10.116 1101 HD2 HIS 132 HD2 HIS 132 1.333 17.128 13.805 1102 HE1 HIS 132 HE1 HIS 132 -0.371 13.939 11.625 1103 HE2 HIS 132 HE2 HIS 132 -0.267 15.103 13.868 1104 H HIS 133 H HIS 133 4.823 16.763 8.418 1105 HA HIS 133 HA HIS 133 6.637 18.935 8.309 1106 HB2 HIS 133 HB2 HIS 133 6.905 16.733 7.121 1107 HB3 HIS 133 HB3 HIS 133 5.586 17.168 6.044 1108 HD1 HIS 133 HD1 HIS 133 9.167 18.000 6.837 1109 HD2 HIS 133 HD2 HIS 133 6.329 18.803 3.902 1110 HE1 HIS 133 HE1 HIS 133 10.433 19.027 4.933 1111 HE2 HIS 133 HE2 HIS 133 8.691 19.587 3.209 1112 H HIS 134 H HIS 134 6.383 20.990 7.562 1113 HA HIS 134 HA HIS 134 3.866 22.160 7.544 1114 HB2 HIS 134 HB2 HIS 134 6.506 23.271 6.528 1115 HB3 HIS 134 HB3 HIS 134 5.050 24.248 6.673 1116 HD1 HIS 134 HD1 HIS 134 7.623 24.914 8.221 1117 HD2 HIS 134 HD2 HIS 134 4.479 22.700 9.778 1118 HE1 HIS 134 HE1 HIS 134 7.768 25.196 10.703 1119 HE2 HIS 134 HE2 HIS 134 6.024 23.639 11.607 1120 H HIS 135 H HIS 135 5.971 21.540 4.728 1121 HA HIS 135 HA HIS 135 5.573 21.056 2.566 1122 HB2 HIS 135 HB2 HIS 135 3.887 19.449 3.406 1123 HB3 HIS 135 HB3 HIS 135 2.664 20.708 3.413 1124 HD1 HIS 135 HD1 HIS 135 3.879 17.985 1.426 1125 HD2 HIS 135 HD2 HIS 135 2.112 21.656 0.597 1126 HE1 HIS 135 HE1 HIS 135 2.973 17.793 -0.908 1127 HE2 HIS 135 HE2 HIS 135 2.005 20.057 -1.424 1128 H HIS 136 H HIS 136 5.882 22.674 1.152 1129 HA HIS 136 HA HIS 136 4.380 25.137 1.122 1130 HB2 HIS 136 HB2 HIS 136 6.447 24.032 -0.834 1131 HB3 HIS 136 HB3 HIS 136 5.730 25.637 -0.946 1132 HD1 HIS 136 HD1 HIS 136 8.445 23.779 0.692 1133 HD2 HIS 136 HD2 HIS 136 6.501 27.414 1.210 1134 HE1 HIS 136 HE1 HIS 136 9.951 25.141 2.160 1135 HE2 HIS 136 HE2 HIS 136 8.671 27.260 2.601 Start of MODEL 17 1 H1 MET 1 H1 MET 1 3.728 -0.878 16.334 2 H2 MET 1 H2 MET 1 3.091 -1.964 17.457 3 H3 MET 1 H3 MET 1 2.588 -2.022 15.847 4 HA MET 1 HA MET 1 5.294 -2.604 16.846 5 HB2 MET 1 HB2 MET 1 3.390 -4.268 17.319 6 HB3 MET 1 HB3 MET 1 3.273 -4.509 15.586 7 HG2 MET 1 HG2 MET 1 5.496 -5.473 15.521 8 HG3 MET 1 HG3 MET 1 5.765 -5.069 17.216 9 HE1 MET 1 HE1 MET 1 4.536 -6.267 19.246 10 HE2 MET 1 HE2 MET 1 3.344 -7.551 19.057 11 HE3 MET 1 HE3 MET 1 2.936 -5.899 18.593 12 H GLY 2 H GLY 2 3.475 -1.324 14.315 13 HA2 GLY 2 HA2 GLY 2 5.363 -0.612 12.533 14 HA3 GLY 2 HA3 GLY 2 5.053 -2.288 12.066 15 H VAL 3 H VAL 3 4.476 -0.682 10.096 16 HA VAL 3 HA VAL 3 1.528 -0.738 9.939 17 HB VAL 3 HB VAL 3 3.212 1.682 9.081 18 HG11 VAL 3 HG11 VAL 3 0.239 1.196 8.638 19 HG12 VAL 3 HG12 VAL 3 1.485 1.250 7.388 20 HG13 VAL 3 HG13 VAL 3 1.089 2.707 8.299 21 HG21 VAL 3 HG21 VAL 3 0.989 1.490 11.151 22 HG22 VAL 3 HG22 VAL 3 1.789 2.983 10.648 23 HG23 VAL 3 HG23 VAL 3 2.706 1.728 11.483 24 H VAL 4 H VAL 4 0.800 -1.349 7.886 25 HA VAL 4 HA VAL 4 2.793 -1.820 5.748 26 HB VAL 4 HB VAL 4 0.187 -3.349 6.235 27 HG11 VAL 4 HG11 VAL 4 2.444 -3.904 4.272 28 HG12 VAL 4 HG12 VAL 4 0.842 -3.288 3.857 29 HG13 VAL 4 HG13 VAL 4 1.018 -4.913 4.522 30 HG21 VAL 4 HG21 VAL 4 3.037 -4.231 6.807 31 HG22 VAL 4 HG22 VAL 4 1.598 -5.239 6.952 32 HG23 VAL 4 HG23 VAL 4 1.806 -3.845 8.012 33 H ILE 5 H ILE 5 2.531 -0.293 4.243 34 HA ILE 5 HA ILE 5 -0.081 0.871 3.616 35 HB ILE 5 HB ILE 5 2.685 1.594 2.503 36 HG12 ILE 5 HG12 ILE 5 2.273 3.767 3.946 37 HG13 ILE 5 HG13 ILE 5 1.142 2.776 4.856 38 HG21 ILE 5 HG21 ILE 5 1.568 3.661 1.699 39 HG22 ILE 5 HG22 ILE 5 0.019 3.028 2.249 40 HG23 ILE 5 HG23 ILE 5 0.899 2.205 0.959 41 HD11 ILE 5 HD11 ILE 5 4.098 2.253 4.522 42 HD12 ILE 5 HD12 ILE 5 2.974 1.263 5.459 43 HD13 ILE 5 HD13 ILE 5 3.305 2.925 5.949 44 H LEU 6 H LEU 6 -1.217 -0.469 2.250 45 HA LEU 6 HA LEU 6 0.047 -1.949 0.060 46 HB2 LEU 6 HB2 LEU 6 -2.869 -1.831 0.939 47 HB3 LEU 6 HB3 LEU 6 -2.178 -2.991 -0.180 48 HG LEU 6 HG LEU 6 -1.422 -2.821 2.763 49 HD11 LEU 6 HD11 LEU 6 -3.380 -4.709 1.425 50 HD12 LEU 6 HD12 LEU 6 -3.774 -3.414 2.561 51 HD13 LEU 6 HD13 LEU 6 -2.824 -4.793 3.102 52 HD21 LEU 6 HD21 LEU 6 0.304 -3.833 1.379 53 HD22 LEU 6 HD22 LEU 6 -0.868 -4.957 0.686 54 HD23 LEU 6 HD23 LEU 6 -0.461 -5.046 2.402 55 H VAL 7 H VAL 7 0.476 -0.465 -1.561 56 HA VAL 7 HA VAL 7 -1.552 1.437 -2.451 57 HB VAL 7 HB VAL 7 1.255 0.986 -3.602 58 HG11 VAL 7 HG11 VAL 7 -0.657 3.344 -3.886 59 HG12 VAL 7 HG12 VAL 7 -0.284 2.162 -5.141 60 HG13 VAL 7 HG13 VAL 7 0.974 3.252 -4.558 61 HG21 VAL 7 HG21 VAL 7 0.373 3.016 -1.511 62 HG22 VAL 7 HG22 VAL 7 1.969 2.937 -2.264 63 HG23 VAL 7 HG23 VAL 7 1.418 1.621 -1.226 64 H LEU 8 H LEU 8 -3.134 0.405 -3.561 65 HA LEU 8 HA LEU 8 -2.605 -1.675 -5.551 66 HB2 LEU 8 HB2 LEU 8 -5.177 -0.397 -4.514 67 HB3 LEU 8 HB3 LEU 8 -5.150 -1.557 -5.833 68 HG LEU 8 HG LEU 8 -4.090 -3.227 -4.195 69 HD11 LEU 8 HD11 LEU 8 -4.980 -1.241 -2.101 70 HD12 LEU 8 HD12 LEU 8 -3.316 -1.694 -2.471 71 HD13 LEU 8 HD13 LEU 8 -4.423 -2.891 -1.802 72 HD21 LEU 8 HD21 LEU 8 -6.415 -3.401 -4.888 73 HD22 LEU 8 HD22 LEU 8 -6.902 -2.288 -3.608 74 HD23 LEU 8 HD23 LEU 8 -6.226 -3.865 -3.197 75 H THR 9 H THR 9 -1.868 -0.928 -7.458 76 HA THR 9 HA THR 9 -2.624 1.757 -8.427 77 HB THR 9 HB THR 9 -0.551 1.611 -9.798 78 HG1 THR 9 HG1 THR 9 0.270 -0.292 -10.174 79 HG21 THR 9 HG21 THR 9 -0.000 0.901 -6.892 80 HG22 THR 9 HG22 THR 9 -0.325 2.521 -7.508 81 HG23 THR 9 HG23 THR 9 1.140 1.670 -8.003 82 H GLY 10 H GLY 10 -3.552 2.013 -10.404 83 HA2 GLY 10 HA2 GLY 10 -4.661 -0.294 -11.821 84 HA3 GLY 10 HA3 GLY 10 -5.009 1.404 -12.117 85 H ASP 11 H ASP 11 -1.953 1.738 -12.025 86 HA ASP 11 HA ASP 11 -1.162 0.454 -14.567 87 HB2 ASP 11 HB2 ASP 11 -0.354 3.218 -13.537 88 HB3 ASP 11 HB3 ASP 11 0.279 2.453 -14.984 89 H GLU 12 H GLU 12 0.552 -0.877 -14.232 90 HA GLU 12 HA GLU 12 1.787 -1.261 -11.717 91 HB2 GLU 12 HB2 GLU 12 1.485 -3.015 -13.512 92 HB3 GLU 12 HB3 GLU 12 2.796 -2.264 -14.416 93 HG2 GLU 12 HG2 GLU 12 4.367 -2.761 -12.584 94 HG3 GLU 12 HG3 GLU 12 3.063 -3.435 -11.618 95 H ARG 13 H ARG 13 2.591 0.777 -14.425 96 HA ARG 13 HA ARG 13 5.280 1.382 -13.979 97 HB2 ARG 13 HB2 ARG 13 3.969 2.111 -15.973 98 HB3 ARG 13 HB3 ARG 13 3.087 3.259 -14.968 99 HG2 ARG 13 HG2 ARG 13 5.284 4.398 -14.464 100 HG3 ARG 13 HG3 ARG 13 6.053 3.306 -15.619 101 HD2 ARG 13 HD2 ARG 13 4.601 4.197 -17.409 102 HD3 ARG 13 HD3 ARG 13 3.852 5.298 -16.248 103 HE ARG 13 HE ARG 13 6.549 5.472 -17.379 104 HH11 ARG 13 HH11 ARG 13 4.211 6.853 -15.156 105 HH12 ARG 13 HH12 ARG 13 5.045 8.364 -15.044 106 HH21 ARG 13 HH21 ARG 13 7.617 7.466 -17.232 107 HH22 ARG 13 HH22 ARG 13 6.969 8.713 -16.217 108 H ILE 14 H ILE 14 2.345 2.689 -12.470 109 HA ILE 14 HA ILE 14 3.409 4.810 -10.989 110 HB ILE 14 HB ILE 14 1.099 2.990 -10.168 111 HG12 ILE 14 HG12 ILE 14 0.850 4.084 -12.468 112 HG13 ILE 14 HG13 ILE 14 -0.434 4.416 -11.321 113 HG21 ILE 14 HG21 ILE 14 1.756 5.815 -9.258 114 HG22 ILE 14 HG22 ILE 14 1.848 4.345 -8.284 115 HG23 ILE 14 HG23 ILE 14 0.283 4.930 -8.848 116 HD11 ILE 14 HD11 ILE 14 0.454 6.639 -10.931 117 HD12 ILE 14 HD12 ILE 14 0.149 6.358 -12.642 118 HD13 ILE 14 HD13 ILE 14 1.803 6.314 -12.030 119 H ALA 15 H ALA 15 3.193 1.354 -10.282 120 HA ALA 15 HA ALA 15 3.903 1.303 -7.591 121 HB1 ALA 15 HB1 ALA 15 4.450 -0.794 -9.711 122 HB2 ALA 15 HB2 ALA 15 2.956 -0.609 -8.794 123 HB3 ALA 15 HB3 ALA 15 4.440 -1.060 -7.958 124 H GLU 16 H GLU 16 5.974 1.296 -10.481 125 HA GLU 16 HA GLU 16 8.454 0.886 -9.071 126 HB2 GLU 16 HB2 GLU 16 7.904 0.271 -11.514 127 HB3 GLU 16 HB3 GLU 16 8.087 1.969 -11.903 128 HG2 GLU 16 HG2 GLU 16 10.272 0.212 -10.739 129 HG3 GLU 16 HG3 GLU 16 10.076 0.540 -12.453 130 H GLU 17 H GLU 17 6.844 3.692 -10.610 131 HA GLU 17 HA GLU 17 9.060 5.445 -10.280 132 HB2 GLU 17 HB2 GLU 17 7.647 7.196 -11.191 133 HB3 GLU 17 HB3 GLU 17 7.415 5.710 -12.099 134 HG2 GLU 17 HG2 GLU 17 5.302 5.319 -10.768 135 HG3 GLU 17 HG3 GLU 17 5.515 6.925 -10.069 136 H LEU 18 H LEU 18 6.217 4.818 -8.297 137 HA LEU 18 HA LEU 18 6.733 6.924 -6.401 138 HB2 LEU 18 HB2 LEU 18 5.092 4.371 -6.131 139 HB3 LEU 18 HB3 LEU 18 5.173 5.627 -4.908 140 HG LEU 18 HG LEU 18 3.914 5.847 -7.670 141 HD11 LEU 18 HD11 LEU 18 1.841 6.205 -6.406 142 HD12 LEU 18 HD12 LEU 18 2.717 6.049 -4.884 143 HD13 LEU 18 HD13 LEU 18 2.579 4.666 -5.971 144 HD21 LEU 18 HD21 LEU 18 3.293 8.169 -7.073 145 HD22 LEU 18 HD22 LEU 18 5.037 7.974 -7.216 146 HD23 LEU 18 HD23 LEU 18 4.288 8.065 -5.619 147 H ARG 19 H ARG 19 7.589 3.485 -6.684 148 HA ARG 19 HA ARG 19 8.447 2.952 -4.077 149 HB2 ARG 19 HB2 ARG 19 8.021 1.213 -5.783 150 HB3 ARG 19 HB3 ARG 19 9.445 1.728 -6.689 151 HG2 ARG 19 HG2 ARG 19 10.899 1.018 -4.837 152 HG3 ARG 19 HG3 ARG 19 9.481 0.587 -3.878 153 HD2 ARG 19 HD2 ARG 19 8.867 -1.104 -5.613 154 HD3 ARG 19 HD3 ARG 19 10.368 -0.714 -6.469 155 HE ARG 19 HE ARG 19 10.516 -1.584 -3.672 156 HH11 ARG 19 HH11 ARG 19 11.124 -2.354 -7.046 157 HH12 ARG 19 HH12 ARG 19 12.144 -3.701 -6.670 158 HH21 ARG 19 HH21 ARG 19 11.793 -3.369 -3.197 159 HH22 ARG 19 HH22 ARG 19 12.518 -4.274 -4.481 160 H LYS 20 H LYS 20 10.343 3.921 -6.904 161 HA LYS 20 HA LYS 20 12.891 3.942 -5.729 162 HB2 LYS 20 HB2 LYS 20 13.610 5.128 -7.741 163 HB3 LYS 20 HB3 LYS 20 12.429 3.905 -8.189 164 HG2 LYS 20 HG2 LYS 20 10.699 5.861 -8.086 165 HG3 LYS 20 HG3 LYS 20 12.109 6.910 -8.144 166 HD2 LYS 20 HD2 LYS 20 11.162 4.948 -10.262 167 HD3 LYS 20 HD3 LYS 20 11.239 6.703 -10.371 168 HE2 LYS 20 HE2 LYS 20 13.094 6.095 -11.630 169 HE3 LYS 20 HE3 LYS 20 13.845 6.316 -10.049 170 HZ1 LYS 20 HZ1 LYS 20 14.560 4.275 -11.135 171 HZ2 LYS 20 HZ2 LYS 20 12.963 3.718 -11.198 172 HZ3 LYS 20 HZ3 LYS 20 13.728 3.926 -9.707 173 H GLU 21 H GLU 21 10.340 6.350 -5.826 174 HA GLU 21 HA GLU 21 11.895 8.575 -4.876 175 HB2 GLU 21 HB2 GLU 21 9.881 8.673 -6.412 176 HB3 GLU 21 HB3 GLU 21 8.868 8.308 -5.024 177 HG2 GLU 21 HG2 GLU 21 10.734 10.691 -5.023 178 HG3 GLU 21 HG3 GLU 21 9.146 10.773 -5.774 179 H VAL 22 H VAL 22 9.723 6.192 -3.436 180 HA VAL 22 HA VAL 22 9.556 7.226 -0.802 181 HB VAL 22 HB VAL 22 9.246 4.384 -1.891 182 HG11 VAL 22 HG11 VAL 22 8.630 5.332 0.940 183 HG12 VAL 22 HG12 VAL 22 9.858 4.151 0.476 184 HG13 VAL 22 HG13 VAL 22 8.149 3.774 0.262 185 HG21 VAL 22 HG21 VAL 22 6.833 4.804 -1.563 186 HG22 VAL 22 HG22 VAL 22 7.554 5.988 -2.653 187 HG23 VAL 22 HG23 VAL 22 7.194 6.432 -0.985 188 H GLN 23 H GLN 23 11.911 5.177 -2.446 189 HA GLN 23 HA GLN 23 13.511 4.550 -0.169 190 HB2 GLN 23 HB2 GLN 23 14.186 4.584 -3.141 191 HB3 GLN 23 HB3 GLN 23 15.268 3.967 -1.894 192 HG2 GLN 23 HG2 GLN 23 12.503 2.874 -2.510 193 HG3 GLN 23 HG3 GLN 23 14.024 2.162 -3.044 194 HE21 GLN 23 HE21 GLN 23 11.843 1.113 -1.297 195 HE22 GLN 23 HE22 GLN 23 12.609 0.622 0.170 196 H LYS 24 H LYS 24 13.335 7.328 -2.309 197 HA LYS 24 HA LYS 24 15.776 8.573 -1.394 198 HB2 LYS 24 HB2 LYS 24 13.394 9.822 -2.823 199 HB3 LYS 24 HB3 LYS 24 14.966 10.578 -2.613 200 HG2 LYS 24 HG2 LYS 24 14.551 8.017 -4.188 201 HG3 LYS 24 HG3 LYS 24 14.452 9.616 -4.911 202 HD2 LYS 24 HD2 LYS 24 16.621 8.919 -5.449 203 HD3 LYS 24 HD3 LYS 24 16.884 9.950 -4.049 204 HE2 LYS 24 HE2 LYS 24 16.552 7.027 -3.468 205 HE3 LYS 24 HE3 LYS 24 18.010 7.474 -4.347 206 HZ1 LYS 24 HZ1 LYS 24 18.249 7.423 -1.892 207 HZ2 LYS 24 HZ2 LYS 24 17.208 8.750 -1.790 208 HZ3 LYS 24 HZ3 LYS 24 18.680 8.896 -2.597 209 H HIS 25 H HIS 25 12.382 8.629 -0.468 210 HA HIS 25 HA HIS 25 12.484 10.811 1.368 211 HB2 HIS 25 HB2 HIS 25 10.377 9.951 0.332 212 HB3 HIS 25 HB3 HIS 25 10.540 8.453 1.240 213 HD2 HIS 25 HD2 HIS 25 9.840 8.616 3.967 214 HE1 HIS 25 HE1 HIS 25 8.255 12.519 3.652 215 HE2 HIS 25 HE2 HIS 25 8.667 10.564 5.194 216 H ASP 26 H ASP 26 12.601 7.289 1.748 217 HA ASP 26 HA ASP 26 14.398 7.373 3.990 218 HB2 ASP 26 HB2 ASP 26 12.210 7.661 5.161 219 HB3 ASP 26 HB3 ASP 26 11.603 6.196 4.401 220 HA PRO 27 HA PRO 27 15.271 3.789 1.281 221 HB2 PRO 27 HB2 PRO 27 17.847 3.582 2.761 222 HB3 PRO 27 HB3 PRO 27 17.556 3.957 1.049 223 HG2 PRO 27 HG2 PRO 27 18.446 5.825 2.780 224 HG3 PRO 27 HG3 PRO 27 17.372 6.234 1.421 225 HD2 PRO 27 HD2 PRO 27 16.661 5.829 4.334 226 HD3 PRO 27 HD3 PRO 27 16.139 7.108 3.205 227 H ASN 28 H ASN 28 14.868 3.806 4.674 228 HA ASN 28 HA ASN 28 15.561 0.991 5.068 229 HB2 ASN 28 HB2 ASN 28 14.548 3.100 7.021 230 HB3 ASN 28 HB3 ASN 28 14.901 1.434 7.467 231 HD21 ASN 28 HD21 ASN 28 16.785 3.612 5.330 232 HD22 ASN 28 HD22 ASN 28 18.194 3.608 6.324 233 H VAL 29 H VAL 29 12.751 2.926 4.343 234 HA VAL 29 HA VAL 29 10.704 1.148 5.164 235 HB VAL 29 HB VAL 29 10.725 3.121 2.819 236 HG11 VAL 29 HG11 VAL 29 8.243 2.936 2.799 237 HG12 VAL 29 HG12 VAL 29 8.329 1.645 4.000 238 HG13 VAL 29 HG13 VAL 29 9.007 1.397 2.389 239 HG21 VAL 29 HG21 VAL 29 10.945 4.193 5.024 240 HG22 VAL 29 HG22 VAL 29 9.499 3.360 5.591 241 HG23 VAL 29 HG23 VAL 29 9.376 4.565 4.305 242 H LYS 30 H LYS 30 10.457 -0.896 4.557 243 HA LYS 30 HA LYS 30 11.695 -2.058 2.237 244 HB2 LYS 30 HB2 LYS 30 9.680 -3.166 4.244 245 HB3 LYS 30 HB3 LYS 30 10.395 -4.131 2.952 246 HG2 LYS 30 HG2 LYS 30 11.935 -2.747 5.168 247 HG3 LYS 30 HG3 LYS 30 11.519 -4.457 5.134 248 HD2 LYS 30 HD2 LYS 30 13.054 -3.375 2.777 249 HD3 LYS 30 HD3 LYS 30 13.917 -3.534 4.296 250 HE2 LYS 30 HE2 LYS 30 14.244 -5.536 2.948 251 HE3 LYS 30 HE3 LYS 30 13.297 -5.943 4.378 252 HZ1 LYS 30 HZ1 LYS 30 12.243 -5.510 1.636 253 HZ2 LYS 30 HZ2 LYS 30 11.294 -5.857 2.986 254 HZ3 LYS 30 HZ3 LYS 30 12.402 -6.994 2.416 255 H THR 31 H THR 31 10.768 -2.507 0.311 256 HA THR 31 HA THR 31 7.962 -1.714 -0.202 257 HB THR 31 HB THR 31 8.729 -0.485 -2.291 258 HG1 THR 31 HG1 THR 31 11.260 -0.901 -1.065 259 HG21 THR 31 HG21 THR 31 8.058 0.809 -0.287 260 HG22 THR 31 HG22 THR 31 9.339 1.622 -1.185 261 HG23 THR 31 HG23 THR 31 9.721 0.751 0.302 262 H VAL 32 H VAL 32 7.010 -3.298 -1.323 263 HA VAL 32 HA VAL 32 8.709 -5.299 -2.706 264 HB VAL 32 HB VAL 32 5.927 -5.793 -1.542 265 HG11 VAL 32 HG11 VAL 32 8.111 -7.717 -2.430 266 HG12 VAL 32 HG12 VAL 32 6.615 -7.369 -3.301 267 HG13 VAL 32 HG13 VAL 32 6.554 -8.180 -1.735 268 HG21 VAL 32 HG21 VAL 32 7.419 -5.183 0.316 269 HG22 VAL 32 HG22 VAL 32 8.594 -6.392 -0.209 270 HG23 VAL 32 HG23 VAL 32 7.009 -6.900 0.380 271 HA PRO 33 HA PRO 33 6.297 -3.860 -6.315 272 HB2 PRO 33 HB2 PRO 33 7.541 -5.395 -8.223 273 HB3 PRO 33 HB3 PRO 33 8.280 -3.936 -7.535 274 HG2 PRO 33 HG2 PRO 33 8.798 -6.804 -6.845 275 HG3 PRO 33 HG3 PRO 33 9.954 -5.471 -7.047 276 HD2 PRO 33 HD2 PRO 33 9.109 -6.338 -4.588 277 HD3 PRO 33 HD3 PRO 33 9.603 -4.659 -4.907 278 H THR 34 H THR 34 5.034 -5.018 -8.111 279 HA THR 34 HA THR 34 3.047 -6.507 -6.731 280 HB THR 34 HB THR 34 1.785 -6.458 -8.837 281 HG1 THR 34 HG1 THR 34 2.754 -5.933 -10.776 282 HG21 THR 34 HG21 THR 34 1.901 -4.299 -7.613 283 HG22 THR 34 HG22 THR 34 1.813 -4.033 -9.354 284 HG23 THR 34 HG23 THR 34 3.354 -3.859 -8.512 285 H LYS 35 H LYS 35 5.604 -7.440 -8.970 286 HA LYS 35 HA LYS 35 4.666 -10.083 -9.547 287 HB2 LYS 35 HB2 LYS 35 6.872 -10.416 -10.602 288 HB3 LYS 35 HB3 LYS 35 6.155 -8.879 -11.073 289 HG2 LYS 35 HG2 LYS 35 7.608 -7.692 -9.464 290 HG3 LYS 35 HG3 LYS 35 8.342 -9.232 -8.999 291 HD2 LYS 35 HD2 LYS 35 9.094 -9.514 -11.400 292 HD3 LYS 35 HD3 LYS 35 8.473 -7.892 -11.730 293 HE2 LYS 35 HE2 LYS 35 10.853 -7.729 -11.358 294 HE3 LYS 35 HE3 LYS 35 10.039 -7.000 -9.974 295 HZ1 LYS 35 HZ1 LYS 35 11.835 -8.383 -9.234 296 HZ2 LYS 35 HZ2 LYS 35 11.236 -9.718 -10.080 297 HZ3 LYS 35 HZ3 LYS 35 10.378 -9.098 -8.772 298 H ASP 36 H ASP 36 6.450 -8.737 -6.902 299 HA ASP 36 HA ASP 36 7.228 -11.404 -5.900 300 HB2 ASP 36 HB2 ASP 36 8.125 -8.597 -5.080 301 HB3 ASP 36 HB3 ASP 36 8.603 -10.060 -4.224 302 H LYS 37 H LYS 37 4.417 -10.392 -5.897 303 HA LYS 37 HA LYS 37 3.655 -9.558 -3.312 304 HB2 LYS 37 HB2 LYS 37 1.360 -10.089 -3.898 305 HB3 LYS 37 HB3 LYS 37 2.163 -9.335 -5.272 306 HG2 LYS 37 HG2 LYS 37 2.344 -11.409 -6.439 307 HG3 LYS 37 HG3 LYS 37 1.857 -12.332 -5.012 308 HD2 LYS 37 HD2 LYS 37 -0.403 -11.341 -5.122 309 HD3 LYS 37 HD3 LYS 37 0.066 -10.389 -6.537 310 HE2 LYS 37 HE2 LYS 37 0.064 -13.427 -6.415 311 HE3 LYS 37 HE3 LYS 37 -1.226 -12.448 -7.113 312 HZ1 LYS 37 HZ1 LYS 37 1.587 -12.464 -8.060 313 HZ2 LYS 37 HZ2 LYS 37 0.305 -11.625 -8.757 314 HZ3 LYS 37 HZ3 LYS 37 0.318 -13.311 -8.779 315 H GLU 38 H GLU 38 4.693 -12.595 -4.409 316 HA GLU 38 HA GLU 38 3.565 -14.364 -2.519 317 HB2 GLU 38 HB2 GLU 38 6.338 -14.579 -3.749 318 HB3 GLU 38 HB3 GLU 38 5.333 -15.901 -3.166 319 HG2 GLU 38 HG2 GLU 38 4.814 -14.167 -5.600 320 HG3 GLU 38 HG3 GLU 38 5.369 -15.836 -5.610 321 H LYS 39 H LYS 39 6.410 -12.270 -2.430 322 HA LYS 39 HA LYS 39 7.370 -13.222 0.132 323 HB2 LYS 39 HB2 LYS 39 8.277 -10.977 -1.716 324 HB3 LYS 39 HB3 LYS 39 9.055 -11.321 -0.174 325 HG2 LYS 39 HG2 LYS 39 8.881 -13.203 -2.539 326 HG3 LYS 39 HG3 LYS 39 10.304 -12.300 -2.010 327 HD2 LYS 39 HD2 LYS 39 10.182 -13.546 0.187 328 HD3 LYS 39 HD3 LYS 39 8.891 -14.532 -0.505 329 HE2 LYS 39 HE2 LYS 39 10.968 -15.747 -0.668 330 HE3 LYS 39 HE3 LYS 39 10.498 -15.263 -2.298 331 HZ1 LYS 39 HZ1 LYS 39 12.479 -13.847 -0.596 332 HZ2 LYS 39 HZ2 LYS 39 12.078 -13.459 -2.190 333 HZ3 LYS 39 HZ3 LYS 39 12.859 -14.916 -1.848 334 H VAL 40 H VAL 40 5.031 -10.898 -0.837 335 HA VAL 40 HA VAL 40 5.419 -8.742 0.874 336 HB VAL 40 HB VAL 40 2.833 -9.975 -0.187 337 HG11 VAL 40 HG11 VAL 40 1.655 -7.878 0.476 338 HG12 VAL 40 HG12 VAL 40 3.087 -7.376 1.379 339 HG13 VAL 40 HG13 VAL 40 2.197 -8.815 1.871 340 HG21 VAL 40 HG21 VAL 40 2.843 -8.039 -1.717 341 HG22 VAL 40 HG22 VAL 40 4.353 -8.941 -1.848 342 HG23 VAL 40 HG23 VAL 40 4.312 -7.423 -0.948 343 H LYS 41 H LYS 41 3.701 -11.792 1.530 344 HA LYS 41 HA LYS 41 2.758 -11.247 4.100 345 HB2 LYS 41 HB2 LYS 41 1.968 -13.128 2.708 346 HB3 LYS 41 HB3 LYS 41 3.541 -13.913 2.850 347 HG2 LYS 41 HG2 LYS 41 3.221 -14.164 5.266 348 HG3 LYS 41 HG3 LYS 41 1.669 -13.329 5.161 349 HD2 LYS 41 HD2 LYS 41 0.782 -15.157 3.740 350 HD3 LYS 41 HD3 LYS 41 2.340 -15.991 3.841 351 HE2 LYS 41 HE2 LYS 41 2.077 -16.229 6.270 352 HE3 LYS 41 HE3 LYS 41 0.558 -15.332 6.213 353 HZ1 LYS 41 HZ1 LYS 41 -0.402 -17.084 4.895 354 HZ2 LYS 41 HZ2 LYS 41 0.213 -17.712 6.333 355 HZ3 LYS 41 HZ3 LYS 41 1.052 -17.940 4.886 356 H GLU 42 H GLU 42 5.866 -12.577 3.009 357 HA GLU 42 HA GLU 42 6.974 -13.222 5.545 358 HB2 GLU 42 HB2 GLU 42 8.420 -12.496 2.957 359 HB3 GLU 42 HB3 GLU 42 9.166 -13.237 4.368 360 HG2 GLU 42 HG2 GLU 42 7.584 -15.207 4.020 361 HG3 GLU 42 HG3 GLU 42 7.151 -14.462 2.475 362 H GLU 43 H GLU 43 7.292 -10.398 3.405 363 HA GLU 43 HA GLU 43 9.218 -9.054 4.991 364 HB2 GLU 43 HB2 GLU 43 7.457 -7.836 2.815 365 HB3 GLU 43 HB3 GLU 43 8.968 -7.182 3.435 366 HG2 GLU 43 HG2 GLU 43 8.580 -9.642 1.727 367 HG3 GLU 43 HG3 GLU 43 9.402 -8.152 1.288 368 H ILE 44 H ILE 44 5.699 -8.985 4.983 369 HA ILE 44 HA ILE 44 5.291 -6.674 6.590 370 HB ILE 44 HB ILE 44 3.613 -9.196 6.168 371 HG12 ILE 44 HG12 ILE 44 3.219 -6.314 5.220 372 HG13 ILE 44 HG13 ILE 44 3.754 -7.661 4.221 373 HG21 ILE 44 HG21 ILE 44 1.726 -8.065 7.329 374 HG22 ILE 44 HG22 ILE 44 2.813 -6.761 7.803 375 HG23 ILE 44 HG23 ILE 44 3.075 -8.391 8.422 376 HD11 ILE 44 HD11 ILE 44 1.044 -7.388 5.522 377 HD12 ILE 44 HD12 ILE 44 1.583 -8.754 4.541 378 HD13 ILE 44 HD13 ILE 44 1.429 -7.155 3.818 379 H GLU 45 H GLU 45 5.753 -10.114 7.347 380 HA GLU 45 HA GLU 45 5.542 -9.929 10.183 381 HB2 GLU 45 HB2 GLU 45 5.177 -12.011 8.913 382 HB3 GLU 45 HB3 GLU 45 6.860 -12.027 8.400 383 HG2 GLU 45 HG2 GLU 45 7.581 -12.393 10.714 384 HG3 GLU 45 HG3 GLU 45 5.908 -12.284 11.270 385 H LYS 46 H LYS 46 8.205 -9.623 7.910 386 HA LYS 46 HA LYS 46 10.347 -9.567 9.831 387 HB2 LYS 46 HB2 LYS 46 10.201 -8.721 6.901 388 HB3 LYS 46 HB3 LYS 46 11.698 -8.773 7.834 389 HG2 LYS 46 HG2 LYS 46 11.561 -11.163 8.088 390 HG3 LYS 46 HG3 LYS 46 9.917 -11.200 7.448 391 HD2 LYS 46 HD2 LYS 46 10.785 -10.485 5.224 392 HD3 LYS 46 HD3 LYS 46 12.428 -10.497 5.875 393 HE2 LYS 46 HE2 LYS 46 12.322 -12.898 6.249 394 HE3 LYS 46 HE3 LYS 46 10.612 -12.932 5.805 395 HZ1 LYS 46 HZ1 LYS 46 11.275 -12.217 3.560 396 HZ2 LYS 46 HZ2 LYS 46 11.895 -13.714 3.980 397 HZ3 LYS 46 HZ3 LYS 46 12.897 -12.339 4.005 398 H ALA 47 H ALA 47 8.424 -7.122 8.112 399 HA ALA 47 HA ALA 47 9.771 -4.821 9.152 400 HB1 ALA 47 HB1 ALA 47 8.462 -4.736 7.074 401 HB2 ALA 47 HB2 ALA 47 7.884 -3.548 8.240 402 HB3 ALA 47 HB3 ALA 47 6.975 -5.042 7.972 403 H ARG 48 H ARG 48 7.060 -6.788 10.216 404 HA ARG 48 HA ARG 48 6.046 -5.313 12.363 405 HB2 ARG 48 HB2 ARG 48 4.972 -7.372 11.568 406 HB3 ARG 48 HB3 ARG 48 6.392 -8.322 11.980 407 HG2 ARG 48 HG2 ARG 48 5.965 -7.744 14.411 408 HG3 ARG 48 HG3 ARG 48 4.438 -7.022 13.904 409 HD2 ARG 48 HD2 ARG 48 3.729 -9.221 12.987 410 HD3 ARG 48 HD3 ARG 48 5.255 -9.926 13.530 411 HE ARG 48 HE ARG 48 4.176 -8.836 15.798 412 HH11 ARG 48 HH11 ARG 48 3.011 -11.198 13.457 413 HH12 ARG 48 HH12 ARG 48 2.028 -12.036 14.618 414 HH21 ARG 48 HH21 ARG 48 2.885 -9.927 17.302 415 HH22 ARG 48 HH22 ARG 48 1.957 -11.307 16.812 416 H LYS 49 H LYS 49 8.721 -7.638 12.220 417 HA LYS 49 HA LYS 49 9.403 -7.605 14.985 418 HB2 LYS 49 HB2 LYS 49 9.856 -9.434 13.234 419 HB3 LYS 49 HB3 LYS 49 11.194 -8.458 12.662 420 HG2 LYS 49 HG2 LYS 49 11.011 -9.412 15.537 421 HG3 LYS 49 HG3 LYS 49 11.705 -10.414 14.263 422 HD2 LYS 49 HD2 LYS 49 13.372 -8.562 13.816 423 HD3 LYS 49 HD3 LYS 49 12.727 -7.708 15.223 424 HE2 LYS 49 HE2 LYS 49 14.731 -8.909 15.875 425 HE3 LYS 49 HE3 LYS 49 13.340 -9.682 16.639 426 HZ1 LYS 49 HZ1 LYS 49 14.835 -11.325 15.739 427 HZ2 LYS 49 HZ2 LYS 49 14.757 -10.629 14.202 428 HZ3 LYS 49 HZ3 LYS 49 13.389 -11.358 14.869 429 H GLN 50 H GLN 50 10.583 -5.869 12.139 430 HA GLN 50 HA GLN 50 12.766 -4.567 13.580 431 HB2 GLN 50 HB2 GLN 50 11.830 -4.343 10.681 432 HB3 GLN 50 HB3 GLN 50 13.261 -3.556 11.336 433 HG2 GLN 50 HG2 GLN 50 12.812 -6.551 11.158 434 HG3 GLN 50 HG3 GLN 50 13.843 -5.601 10.094 435 HE21 GLN 50 HE21 GLN 50 14.504 -7.891 11.827 436 HE22 GLN 50 HE22 GLN 50 15.754 -7.339 12.883 437 H GLY 51 H GLY 51 9.471 -3.989 13.166 438 HA2 GLY 51 HA2 GLY 51 8.104 -2.247 13.739 439 HA3 GLY 51 HA3 GLY 51 9.514 -1.379 14.315 440 H ARG 52 H ARG 52 9.659 -2.451 11.067 441 HA ARG 52 HA ARG 52 9.866 0.262 10.092 442 HB2 ARG 52 HB2 ARG 52 10.203 -2.467 8.776 443 HB3 ARG 52 HB3 ARG 52 10.367 -0.963 7.878 444 HG2 ARG 52 HG2 ARG 52 12.061 -1.521 10.325 445 HG3 ARG 52 HG3 ARG 52 12.511 -2.125 8.730 446 HD2 ARG 52 HD2 ARG 52 13.684 -0.057 9.163 447 HD3 ARG 52 HD3 ARG 52 12.524 0.201 7.865 448 HE ARG 52 HE ARG 52 11.833 0.991 10.627 449 HH11 ARG 52 HH11 ARG 52 12.523 1.982 7.322 450 HH12 ARG 52 HH12 ARG 52 11.998 3.617 7.563 451 HH21 ARG 52 HH21 ARG 52 11.173 3.147 10.944 452 HH22 ARG 52 HH22 ARG 52 11.234 4.272 9.620 453 HA PRO 53 HA PRO 53 5.796 0.175 7.954 454 HB2 PRO 53 HB2 PRO 53 6.175 2.401 6.379 455 HB3 PRO 53 HB3 PRO 53 5.718 2.512 8.093 456 HG2 PRO 53 HG2 PRO 53 8.417 2.857 6.840 457 HG3 PRO 53 HG3 PRO 53 7.657 3.787 8.154 458 HD2 PRO 53 HD2 PRO 53 9.511 1.813 8.600 459 HD3 PRO 53 HD3 PRO 53 8.246 2.238 9.771 460 H ILE 54 H ILE 54 5.365 -0.978 6.169 461 HA ILE 54 HA ILE 54 7.422 -1.267 4.055 462 HB ILE 54 HB ILE 54 7.296 -3.392 5.143 463 HG12 ILE 54 HG12 ILE 54 5.571 -3.461 2.620 464 HG13 ILE 54 HG13 ILE 54 7.321 -3.618 2.705 465 HG21 ILE 54 HG21 ILE 54 4.272 -3.284 4.989 466 HG22 ILE 54 HG22 ILE 54 5.242 -3.056 6.444 467 HG23 ILE 54 HG23 ILE 54 5.224 -4.625 5.636 468 HD11 ILE 54 HD11 ILE 54 7.035 -5.761 3.881 469 HD12 ILE 54 HD12 ILE 54 6.305 -5.741 2.279 470 HD13 ILE 54 HD13 ILE 54 5.284 -5.600 3.708 471 H VAL 55 H VAL 55 6.796 -0.384 2.187 472 HA VAL 55 HA VAL 55 3.950 0.001 1.579 473 HB VAL 55 HB VAL 55 6.416 1.048 0.104 474 HG11 VAL 55 HG11 VAL 55 4.501 0.775 -1.414 475 HG12 VAL 55 HG12 VAL 55 4.797 2.489 -1.112 476 HG13 VAL 55 HG13 VAL 55 3.463 1.668 -0.299 477 HG21 VAL 55 HG21 VAL 55 5.804 3.246 1.068 478 HG22 VAL 55 HG22 VAL 55 6.169 2.073 2.334 479 HG23 VAL 55 HG23 VAL 55 4.492 2.488 1.974 480 H VAL 56 H VAL 56 3.150 -1.805 0.845 481 HA VAL 56 HA VAL 56 4.411 -3.579 -1.082 482 HB VAL 56 HB VAL 56 1.638 -3.568 0.221 483 HG11 VAL 56 HG11 VAL 56 1.516 -4.759 -1.921 484 HG12 VAL 56 HG12 VAL 56 1.413 -5.906 -0.584 485 HG13 VAL 56 HG13 VAL 56 2.920 -5.739 -1.489 486 HG21 VAL 56 HG21 VAL 56 4.096 -5.257 0.839 487 HG22 VAL 56 HG22 VAL 56 2.523 -5.388 1.630 488 HG23 VAL 56 HG23 VAL 56 3.484 -3.920 1.820 489 H PHE 57 H PHE 57 3.850 -3.668 -3.249 490 HA PHE 57 HA PHE 57 1.836 -1.749 -4.270 491 HB2 PHE 57 HB2 PHE 57 4.301 -2.920 -5.644 492 HB3 PHE 57 HB3 PHE 57 3.122 -1.852 -6.414 493 HD1 PHE 57 HD1 PHE 57 2.764 0.500 -5.409 494 HD2 PHE 57 HD2 PHE 57 6.115 -1.964 -4.383 495 HE1 PHE 57 HE1 PHE 57 3.962 2.472 -4.550 496 HE2 PHE 57 HE2 PHE 57 7.300 0.017 -3.535 497 HZ PHE 57 HZ PHE 57 6.226 2.232 -3.617 498 H VAL 58 H VAL 58 0.164 -2.530 -5.345 499 HA VAL 58 HA VAL 58 -0.110 -5.437 -5.857 500 HB VAL 58 HB VAL 58 -2.167 -3.483 -4.695 501 HG11 VAL 58 HG11 VAL 58 -3.690 -5.404 -4.494 502 HG12 VAL 58 HG12 VAL 58 -2.505 -6.439 -5.296 503 HG13 VAL 58 HG13 VAL 58 -3.258 -5.112 -6.182 504 HG21 VAL 58 HG21 VAL 58 -0.832 -5.881 -3.377 505 HG22 VAL 58 HG22 VAL 58 -2.071 -4.855 -2.645 506 HG23 VAL 58 HG23 VAL 58 -0.483 -4.185 -3.028 507 H ARG 59 H ARG 59 -1.062 -5.919 -7.878 508 HA ARG 59 HA ARG 59 -1.175 -3.647 -9.747 509 HB2 ARG 59 HB2 ARG 59 0.319 -5.804 -9.963 510 HB3 ARG 59 HB3 ARG 59 -1.141 -6.584 -10.527 511 HG2 ARG 59 HG2 ARG 59 0.051 -4.126 -11.848 512 HG3 ARG 59 HG3 ARG 59 0.490 -5.769 -12.296 513 HD2 ARG 59 HD2 ARG 59 -1.949 -6.181 -12.854 514 HD3 ARG 59 HD3 ARG 59 -2.233 -4.457 -12.590 515 HE ARG 59 HE ARG 59 -1.008 -3.948 -14.520 516 HH11 ARG 59 HH11 ARG 59 -1.079 -7.425 -14.014 517 HH12 ARG 59 HH12 ARG 59 -0.537 -7.781 -15.622 518 HH21 ARG 59 HH21 ARG 59 -0.254 -4.458 -16.622 519 HH22 ARG 59 HH22 ARG 59 -0.078 -6.120 -17.076 520 H GLY 60 H GLY 60 -3.294 -3.093 -8.802 521 HA2 GLY 60 HA2 GLY 60 -5.514 -2.718 -9.092 522 HA3 GLY 60 HA3 GLY 60 -5.274 -3.362 -10.697 523 H GLY 61 H GLY 61 -5.647 -5.602 -11.081 524 HA2 GLY 61 HA2 GLY 61 -8.043 -6.605 -10.004 525 HA3 GLY 61 HA3 GLY 61 -6.957 -7.477 -11.069 526 H ASP 62 H ASP 62 -4.792 -7.052 -8.806 527 HA ASP 62 HA ASP 62 -5.311 -9.444 -7.261 528 HB2 ASP 62 HB2 ASP 62 -3.167 -7.304 -6.907 529 HB3 ASP 62 HB3 ASP 62 -3.193 -8.844 -6.055 530 H ASP 63 H ASP 63 -7.010 -6.822 -7.035 531 HA ASP 63 HA ASP 63 -7.024 -5.601 -4.594 532 HB2 ASP 63 HB2 ASP 63 -8.475 -5.046 -6.549 533 HB3 ASP 63 HB3 ASP 63 -9.424 -6.499 -6.271 534 H GLU 64 H GLU 64 -8.578 -8.652 -5.474 535 HA GLU 64 HA GLU 64 -9.910 -9.258 -3.083 536 HB2 GLU 64 HB2 GLU 64 -8.769 -11.185 -5.159 537 HB3 GLU 64 HB3 GLU 64 -9.973 -11.594 -3.940 538 HG2 GLU 64 HG2 GLU 64 -11.558 -10.004 -4.967 539 HG3 GLU 64 HG3 GLU 64 -10.358 -9.603 -6.196 540 H ARG 65 H ARG 65 -6.639 -9.920 -4.161 541 HA ARG 65 HA ARG 65 -5.893 -11.626 -1.969 542 HB2 ARG 65 HB2 ARG 65 -4.190 -10.251 -4.107 543 HB3 ARG 65 HB3 ARG 65 -3.640 -11.532 -3.026 544 HG2 ARG 65 HG2 ARG 65 -5.101 -13.152 -4.052 545 HG3 ARG 65 HG3 ARG 65 -5.938 -11.907 -4.976 546 HD2 ARG 65 HD2 ARG 65 -3.846 -11.490 -6.264 547 HD3 ARG 65 HD3 ARG 65 -3.051 -12.784 -5.366 548 HE ARG 65 HE ARG 65 -4.822 -14.291 -6.317 549 HH11 ARG 65 HH11 ARG 65 -3.851 -11.417 -8.093 550 HH12 ARG 65 HH12 ARG 65 -4.313 -12.073 -9.629 551 HH21 ARG 65 HH21 ARG 65 -5.475 -15.117 -8.288 552 HH22 ARG 65 HH22 ARG 65 -5.244 -14.199 -9.739 553 H ALA 66 H ALA 66 -5.619 -8.228 -2.786 554 HA ALA 66 HA ALA 66 -3.590 -7.453 -0.971 555 HB1 ALA 66 HB1 ALA 66 -4.233 -6.138 -2.944 556 HB2 ALA 66 HB2 ALA 66 -4.304 -5.168 -1.474 557 HB3 ALA 66 HB3 ALA 66 -5.795 -5.767 -2.211 558 H LYS 67 H LYS 67 -7.106 -7.706 -0.641 559 HA LYS 67 HA LYS 67 -7.202 -6.406 1.933 560 HB2 LYS 67 HB2 LYS 67 -9.572 -6.989 1.947 561 HB3 LYS 67 HB3 LYS 67 -9.105 -6.316 0.388 562 HG2 LYS 67 HG2 LYS 67 -8.927 -8.692 -0.477 563 HG3 LYS 67 HG3 LYS 67 -9.649 -9.220 1.045 564 HD2 LYS 67 HD2 LYS 67 -11.399 -9.095 -0.597 565 HD3 LYS 67 HD3 LYS 67 -11.640 -7.766 0.534 566 HE2 LYS 67 HE2 LYS 67 -10.625 -6.209 -1.084 567 HE3 LYS 67 HE3 LYS 67 -10.343 -7.543 -2.204 568 HZ1 LYS 67 HZ1 LYS 67 -12.974 -6.505 -1.299 569 HZ2 LYS 67 HZ2 LYS 67 -12.768 -7.883 -2.262 570 HZ3 LYS 67 HZ3 LYS 67 -12.298 -6.368 -2.848 571 H ASP 68 H ASP 68 -6.882 -9.752 0.834 572 HA ASP 68 HA ASP 68 -7.093 -11.006 3.398 573 HB2 ASP 68 HB2 ASP 68 -5.589 -11.869 0.887 574 HB3 ASP 68 HB3 ASP 68 -5.711 -12.870 2.330 575 H ILE 69 H ILE 69 -4.425 -9.621 1.555 576 HA ILE 69 HA ILE 69 -2.298 -10.089 3.370 577 HB ILE 69 HB ILE 69 -2.710 -8.031 1.146 578 HG12 ILE 69 HG12 ILE 69 -0.985 -10.559 1.215 579 HG13 ILE 69 HG13 ILE 69 -2.542 -10.417 0.413 580 HG21 ILE 69 HG21 ILE 69 -0.149 -8.536 2.685 581 HG22 ILE 69 HG22 ILE 69 -1.122 -7.064 2.726 582 HG23 ILE 69 HG23 ILE 69 -0.294 -7.535 1.240 583 HD11 ILE 69 HD11 ILE 69 -0.011 -8.950 -0.332 584 HD12 ILE 69 HD12 ILE 69 -1.582 -8.739 -1.113 585 HD13 ILE 69 HD13 ILE 69 -0.759 -10.295 -1.196 586 H ALA 70 H ALA 70 -4.713 -7.534 3.022 587 HA ALA 70 HA ALA 70 -3.710 -5.675 4.900 588 HB1 ALA 70 HB1 ALA 70 -5.381 -5.091 3.188 589 HB2 ALA 70 HB2 ALA 70 -5.945 -4.672 4.806 590 HB3 ALA 70 HB3 ALA 70 -6.579 -6.108 3.993 591 H GLU 71 H GLU 71 -5.995 -8.383 5.163 592 HA GLU 71 HA GLU 71 -6.673 -8.061 7.887 593 HB2 GLU 71 HB2 GLU 71 -7.995 -9.465 6.338 594 HB3 GLU 71 HB3 GLU 71 -6.647 -10.592 6.176 595 HG2 GLU 71 HG2 GLU 71 -6.807 -11.082 8.617 596 HG3 GLU 71 HG3 GLU 71 -8.182 -9.994 8.733 597 H TYR 72 H TYR 72 -4.160 -9.971 6.237 598 HA TYR 72 HA TYR 72 -3.038 -11.261 8.444 599 HB2 TYR 72 HB2 TYR 72 -2.462 -11.975 6.185 600 HB3 TYR 72 HB3 TYR 72 -1.757 -10.404 5.803 601 HD1 TYR 72 HD1 TYR 72 -1.320 -13.385 8.060 602 HD2 TYR 72 HD2 TYR 72 0.576 -10.027 6.206 603 HE1 TYR 72 HE1 TYR 72 0.860 -14.140 8.903 604 HE2 TYR 72 HE2 TYR 72 2.751 -10.796 7.044 605 HH TYR 72 HH TYR 72 3.546 -12.215 9.020 606 H ALA 73 H ALA 73 -2.217 -8.140 6.970 607 HA ALA 73 HA ALA 73 -0.055 -7.405 8.591 608 HB1 ALA 73 HB1 ALA 73 -0.548 -5.116 7.798 609 HB2 ALA 73 HB2 ALA 73 -2.110 -5.670 7.192 610 HB3 ALA 73 HB3 ALA 73 -0.614 -6.293 6.489 611 H GLN 74 H GLN 74 -3.539 -6.879 8.953 612 HA GLN 74 HA GLN 74 -3.462 -5.330 11.345 613 HB2 GLN 74 HB2 GLN 74 -5.372 -5.379 9.731 614 HB3 GLN 74 HB3 GLN 74 -5.727 -7.034 10.210 615 HG2 GLN 74 HG2 GLN 74 -6.250 -6.248 12.494 616 HG3 GLN 74 HG3 GLN 74 -5.872 -4.597 12.008 617 HE21 GLN 74 HE21 GLN 74 -7.651 -6.908 9.970 618 HE22 GLN 74 HE22 GLN 74 -9.155 -6.065 10.044 619 H LYS 75 H LYS 75 -3.562 -8.791 10.683 620 HA LYS 75 HA LYS 75 -4.013 -9.752 13.341 621 HB2 LYS 75 HB2 LYS 75 -2.750 -11.134 10.932 622 HB3 LYS 75 HB3 LYS 75 -3.169 -11.945 12.439 623 HG2 LYS 75 HG2 LYS 75 -5.549 -11.477 12.078 624 HG3 LYS 75 HG3 LYS 75 -5.169 -10.560 10.623 625 HD2 LYS 75 HD2 LYS 75 -5.953 -12.783 9.980 626 HD3 LYS 75 HD3 LYS 75 -4.241 -12.631 9.574 627 HE2 LYS 75 HE2 LYS 75 -3.656 -13.887 11.630 628 HE3 LYS 75 HE3 LYS 75 -5.371 -14.045 12.016 629 HZ1 LYS 75 HZ1 LYS 75 -5.661 -15.283 9.944 630 HZ2 LYS 75 HZ2 LYS 75 -4.560 -16.034 10.975 631 HZ3 LYS 75 HZ3 LYS 75 -4.006 -15.174 9.630 632 H GLU 76 H GLU 76 -1.149 -8.735 11.567 633 HA GLU 76 HA GLU 76 0.774 -9.792 13.442 634 HB2 GLU 76 HB2 GLU 76 1.061 -7.676 11.274 635 HB3 GLU 76 HB3 GLU 76 2.401 -8.402 12.151 636 HG2 GLU 76 HG2 GLU 76 0.500 -9.851 10.289 637 HG3 GLU 76 HG3 GLU 76 2.144 -9.355 9.903 638 H GLY 77 H GLY 77 -1.449 -7.405 13.843 639 HA2 GLY 77 HA2 GLY 77 -1.750 -5.832 15.491 640 HA3 GLY 77 HA3 GLY 77 -0.134 -6.179 16.093 641 H LEU 78 H LEU 78 -0.711 -5.379 12.746 642 HA LEU 78 HA LEU 78 0.728 -2.805 13.062 643 HB2 LEU 78 HB2 LEU 78 0.376 -4.326 10.446 644 HB3 LEU 78 HB3 LEU 78 1.541 -3.065 10.821 645 HG LEU 78 HG LEU 78 1.593 -5.963 11.743 646 HD11 LEU 78 HD11 LEU 78 2.386 -5.627 9.465 647 HD12 LEU 78 HD12 LEU 78 3.717 -6.080 10.528 648 HD13 LEU 78 HD13 LEU 78 3.529 -4.399 10.018 649 HD21 LEU 78 HD21 LEU 78 2.332 -4.573 13.614 650 HD22 LEU 78 HD22 LEU 78 3.516 -3.785 12.573 651 HD23 LEU 78 HD23 LEU 78 3.665 -5.504 12.936 652 H ARG 79 H ARG 79 -0.061 -0.975 11.837 653 HA ARG 79 HA ARG 79 -2.931 -0.936 11.319 654 HB2 ARG 79 HB2 ARG 79 -0.789 1.224 11.141 655 HB3 ARG 79 HB3 ARG 79 -2.438 1.497 10.588 656 HG2 ARG 79 HG2 ARG 79 -2.221 2.415 12.794 657 HG3 ARG 79 HG3 ARG 79 -3.262 0.995 12.893 658 HD2 ARG 79 HD2 ARG 79 -1.736 1.037 14.790 659 HD3 ARG 79 HD3 ARG 79 -1.327 -0.322 13.743 660 HE ARG 79 HE ARG 79 0.698 0.671 13.237 661 HH11 ARG 79 HH11 ARG 79 -1.254 2.963 15.069 662 HH12 ARG 79 HH12 ARG 79 0.058 4.063 15.328 663 HH21 ARG 79 HH21 ARG 79 2.408 2.139 13.569 664 HH22 ARG 79 HH22 ARG 79 2.137 3.591 14.473 665 H VAL 80 H VAL 80 -3.881 -0.593 9.286 666 HA VAL 80 HA VAL 80 -2.172 -1.256 6.953 667 HB VAL 80 HB VAL 80 -5.132 -1.895 7.335 668 HG11 VAL 80 HG11 VAL 80 -4.510 -1.587 4.972 669 HG12 VAL 80 HG12 VAL 80 -4.871 -3.279 5.310 670 HG13 VAL 80 HG13 VAL 80 -3.194 -2.753 5.152 671 HG21 VAL 80 HG21 VAL 80 -3.752 -3.224 8.886 672 HG22 VAL 80 HG22 VAL 80 -2.747 -3.770 7.542 673 HG23 VAL 80 HG23 VAL 80 -4.445 -4.242 7.622 674 H ILE 81 H ILE 81 -1.894 0.463 5.740 675 HA ILE 81 HA ILE 81 -4.101 2.360 5.249 676 HB ILE 81 HB ILE 81 -1.083 2.657 5.119 677 HG12 ILE 81 HG12 ILE 81 -1.643 4.886 6.269 678 HG13 ILE 81 HG13 ILE 81 -3.313 4.343 6.360 679 HG21 ILE 81 HG21 ILE 81 -3.052 4.397 3.615 680 HG22 ILE 81 HG22 ILE 81 -1.756 3.417 2.927 681 HG23 ILE 81 HG23 ILE 81 -1.368 4.823 3.913 682 HD11 ILE 81 HD11 ILE 81 -2.585 2.462 7.775 683 HD12 ILE 81 HD12 ILE 81 -2.187 4.037 8.459 684 HD13 ILE 81 HD13 ILE 81 -0.931 3.073 7.690 685 H VAL 82 H VAL 82 -5.178 1.966 3.405 686 HA VAL 82 HA VAL 82 -3.884 0.485 1.180 687 HB VAL 82 HB VAL 82 -6.851 0.936 1.799 688 HG11 VAL 82 HG11 VAL 82 -7.321 -0.692 -0.004 689 HG12 VAL 82 HG12 VAL 82 -5.605 -0.743 -0.406 690 HG13 VAL 82 HG13 VAL 82 -6.513 0.754 -0.622 691 HG21 VAL 82 HG21 VAL 82 -5.808 -0.608 3.409 692 HG22 VAL 82 HG22 VAL 82 -5.179 -1.595 2.086 693 HG23 VAL 82 HG23 VAL 82 -6.919 -1.477 2.348 694 H ILE 83 H ILE 83 -3.138 1.853 -0.406 695 HA ILE 83 HA ILE 83 -4.580 4.386 -0.976 696 HB ILE 83 HB ILE 83 -1.673 3.674 -1.616 697 HG12 ILE 83 HG12 ILE 83 -2.833 5.484 0.555 698 HG13 ILE 83 HG13 ILE 83 -2.059 3.928 0.819 699 HG21 ILE 83 HG21 ILE 83 -3.159 6.321 -1.937 700 HG22 ILE 83 HG22 ILE 83 -2.618 5.272 -3.251 701 HG23 ILE 83 HG23 ILE 83 -1.435 6.074 -2.218 702 HD11 ILE 83 HD11 ILE 83 -0.598 5.733 1.386 703 HD12 ILE 83 HD12 ILE 83 -0.737 6.411 -0.235 704 HD13 ILE 83 HD13 ILE 83 0.042 4.844 0.006 705 H ILE 84 H ILE 84 -5.879 4.146 -2.682 706 HA ILE 84 HA ILE 84 -5.234 2.255 -4.849 707 HB ILE 84 HB ILE 84 -7.781 3.916 -4.526 708 HG12 ILE 84 HG12 ILE 84 -7.394 1.056 -3.518 709 HG13 ILE 84 HG13 ILE 84 -7.267 2.466 -2.472 710 HG21 ILE 84 HG21 ILE 84 -7.234 1.323 -6.034 711 HG22 ILE 84 HG22 ILE 84 -7.431 2.918 -6.763 712 HG23 ILE 84 HG23 ILE 84 -8.791 2.148 -5.944 713 HD11 ILE 84 HD11 ILE 84 -9.704 1.615 -4.007 714 HD12 ILE 84 HD12 ILE 84 -9.573 3.050 -2.984 715 HD13 ILE 84 HD13 ILE 84 -9.416 1.443 -2.277 716 H VAL 85 H VAL 85 -4.292 3.040 -6.660 717 HA VAL 85 HA VAL 85 -4.521 5.902 -7.387 718 HB VAL 85 HB VAL 85 -2.421 3.940 -8.462 719 HG11 VAL 85 HG11 VAL 85 -2.792 5.951 -9.826 720 HG12 VAL 85 HG12 VAL 85 -1.199 6.010 -9.070 721 HG13 VAL 85 HG13 VAL 85 -2.518 6.987 -8.421 722 HG21 VAL 85 HG21 VAL 85 -0.793 4.873 -6.841 723 HG22 VAL 85 HG22 VAL 85 -2.110 4.025 -6.027 724 HG23 VAL 85 HG23 VAL 85 -2.089 5.790 -6.066 725 H SER 86 H SER 86 -6.230 6.023 -8.790 726 HA SER 86 HA SER 86 -6.115 4.582 -11.322 727 HB2 SER 86 HB2 SER 86 -8.558 4.365 -9.477 728 HB3 SER 86 HB3 SER 86 -8.546 3.867 -11.167 729 HG SER 86 HG SER 86 -6.516 2.654 -10.023 730 H GLN 87 H GLN 87 -7.112 5.775 -12.980 731 HA GLN 87 HA GLN 87 -7.768 8.563 -12.397 732 HB2 GLN 87 HB2 GLN 87 -7.657 7.115 -15.086 733 HB3 GLN 87 HB3 GLN 87 -7.744 8.858 -14.840 734 HG2 GLN 87 HG2 GLN 87 -5.510 8.719 -13.674 735 HG3 GLN 87 HG3 GLN 87 -5.424 7.030 -14.164 736 HE21 GLN 87 HE21 GLN 87 -5.255 10.340 -15.250 737 HE22 GLN 87 HE22 GLN 87 -4.657 9.992 -16.834 738 H ASP 88 H ASP 88 -9.656 6.551 -11.464 739 HA ASP 88 HA ASP 88 -12.112 7.469 -12.752 740 HB2 ASP 88 HB2 ASP 88 -11.580 5.330 -13.887 741 HB3 ASP 88 HB3 ASP 88 -11.416 4.522 -12.332 742 H GLU 89 H GLU 89 -13.292 8.254 -11.143 743 HA GLU 89 HA GLU 89 -12.728 7.967 -8.400 744 HB2 GLU 89 HB2 GLU 89 -14.977 9.228 -9.991 745 HB3 GLU 89 HB3 GLU 89 -15.121 9.126 -8.241 746 HG2 GLU 89 HG2 GLU 89 -12.707 10.379 -9.568 747 HG3 GLU 89 HG3 GLU 89 -14.162 11.298 -9.236 748 H GLU 90 H GLU 90 -14.849 6.139 -10.481 749 HA GLU 90 HA GLU 90 -16.465 4.986 -8.412 750 HB2 GLU 90 HB2 GLU 90 -16.002 4.035 -11.273 751 HB3 GLU 90 HB3 GLU 90 -17.270 3.463 -10.189 752 HG2 GLU 90 HG2 GLU 90 -18.179 5.803 -10.103 753 HG3 GLU 90 HG3 GLU 90 -16.980 6.266 -11.309 754 H ALA 91 H ALA 91 -13.564 3.921 -10.206 755 HA ALA 91 HA ALA 91 -13.311 1.366 -8.947 756 HB1 ALA 91 HB1 ALA 91 -12.255 1.874 -11.119 757 HB2 ALA 91 HB2 ALA 91 -11.055 1.325 -9.947 758 HB3 ALA 91 HB3 ALA 91 -11.189 3.043 -10.341 759 H LEU 92 H LEU 92 -12.043 4.587 -8.296 760 HA LEU 92 HA LEU 92 -10.332 3.994 -6.152 761 HB2 LEU 92 HB2 LEU 92 -11.878 6.521 -6.840 762 HB3 LEU 92 HB3 LEU 92 -10.744 6.443 -5.502 763 HG LEU 92 HG LEU 92 -10.022 6.034 -8.437 764 HD11 LEU 92 HD11 LEU 92 -10.579 8.373 -7.943 765 HD12 LEU 92 HD12 LEU 92 -8.859 8.187 -8.270 766 HD13 LEU 92 HD13 LEU 92 -9.424 8.383 -6.607 767 HD21 LEU 92 HD21 LEU 92 -8.587 4.703 -6.971 768 HD22 LEU 92 HD22 LEU 92 -8.224 6.129 -5.996 769 HD23 LEU 92 HD23 LEU 92 -7.692 6.048 -7.679 770 H ARG 93 H ARG 93 -13.822 4.854 -6.202 771 HA ARG 93 HA ARG 93 -13.899 5.091 -3.334 772 HB2 ARG 93 HB2 ARG 93 -15.290 6.487 -5.000 773 HB3 ARG 93 HB3 ARG 93 -16.370 5.095 -5.116 774 HG2 ARG 93 HG2 ARG 93 -16.747 5.195 -2.658 775 HG3 ARG 93 HG3 ARG 93 -15.658 6.576 -2.555 776 HD2 ARG 93 HD2 ARG 93 -17.258 7.818 -4.097 777 HD3 ARG 93 HD3 ARG 93 -18.379 6.464 -3.893 778 HE ARG 93 HE ARG 93 -17.774 8.550 -1.998 779 HH11 ARG 93 HH11 ARG 93 -18.973 5.260 -2.239 780 HH12 ARG 93 HH12 ARG 93 -19.784 5.323 -0.709 781 HH21 ARG 93 HH21 ARG 93 -18.743 8.587 0.038 782 HH22 ARG 93 HH22 ARG 93 -19.652 7.215 0.582 783 H LYS 94 H LYS 94 -14.811 2.551 -5.630 784 HA LYS 94 HA LYS 94 -16.433 1.035 -3.838 785 HB2 LYS 94 HB2 LYS 94 -14.889 0.198 -6.319 786 HB3 LYS 94 HB3 LYS 94 -15.888 -0.928 -5.397 787 HG2 LYS 94 HG2 LYS 94 -17.858 0.546 -5.789 788 HG3 LYS 94 HG3 LYS 94 -16.841 1.591 -6.788 789 HD2 LYS 94 HD2 LYS 94 -16.412 -0.354 -8.309 790 HD3 LYS 94 HD3 LYS 94 -17.529 -1.323 -7.336 791 HE2 LYS 94 HE2 LYS 94 -18.650 -0.442 -9.335 792 HE3 LYS 94 HE3 LYS 94 -19.357 0.255 -7.877 793 HZ1 LYS 94 HZ1 LYS 94 -18.038 2.246 -8.232 794 HZ2 LYS 94 HZ2 LYS 94 -19.005 1.924 -9.579 795 HZ3 LYS 94 HZ3 LYS 94 -17.354 1.582 -9.627 796 H GLY 95 H GLY 95 -12.962 0.867 -4.656 797 HA2 GLY 95 HA2 GLY 95 -12.317 -1.184 -2.766 798 HA3 GLY 95 HA3 GLY 95 -11.188 -0.086 -3.544 799 H TYR 96 H TYR 96 -12.393 2.348 -2.661 800 HA TYR 96 HA TYR 96 -11.030 2.832 -0.284 801 HB2 TYR 96 HB2 TYR 96 -11.492 4.687 -1.722 802 HB3 TYR 96 HB3 TYR 96 -13.218 4.386 -1.695 803 HD1 TYR 96 HD2 TYR 96 -10.367 5.523 0.498 804 HD2 TYR 96 HD1 TYR 96 -14.595 5.564 -0.155 805 HE1 TYR 96 HE2 TYR 96 -10.639 7.211 2.273 806 HE2 TYR 96 HE1 TYR 96 -14.856 7.239 1.611 807 HH TYR 96 HH TYR 96 -12.193 8.871 3.045 808 H GLU 97 H GLU 97 -14.537 2.610 -0.797 809 HA GLU 97 HA GLU 97 -15.309 2.708 1.886 810 HB2 GLU 97 HB2 GLU 97 -16.709 1.403 -0.492 811 HB3 GLU 97 HB3 GLU 97 -17.458 1.701 1.073 812 HG2 GLU 97 HG2 GLU 97 -16.351 3.902 -0.689 813 HG3 GLU 97 HG3 GLU 97 -18.024 3.355 -0.742 814 H ASP 98 H ASP 98 -14.564 -0.029 -0.273 815 HA ASP 98 HA ASP 98 -15.552 -2.143 1.225 816 HB2 ASP 98 HB2 ASP 98 -14.830 -2.387 -1.119 817 HB3 ASP 98 HB3 ASP 98 -13.153 -2.114 -0.658 818 H LYS 99 H LYS 99 -12.178 -0.918 1.243 819 HA LYS 99 HA LYS 99 -11.380 -2.692 3.384 820 HB2 LYS 99 HB2 LYS 99 -9.918 -0.477 1.908 821 HB3 LYS 99 HB3 LYS 99 -9.205 -1.284 3.296 822 HG2 LYS 99 HG2 LYS 99 -8.295 -2.334 1.354 823 HG3 LYS 99 HG3 LYS 99 -9.452 -3.483 2.042 824 HD2 LYS 99 HD2 LYS 99 -11.142 -2.761 0.376 825 HD3 LYS 99 HD3 LYS 99 -9.984 -1.615 -0.302 826 HE2 LYS 99 HE2 LYS 99 -8.555 -3.440 -1.050 827 HE3 LYS 99 HE3 LYS 99 -9.603 -4.627 -0.257 828 HZ1 LYS 99 HZ1 LYS 99 -10.382 -2.824 -2.482 829 HZ2 LYS 99 HZ2 LYS 99 -11.418 -3.903 -1.698 830 HZ3 LYS 99 HZ3 LYS 99 -10.107 -4.485 -2.592 831 H LYS 100 H LYS 100 -12.467 0.658 3.152 832 HA LYS 100 HA LYS 100 -11.582 1.566 5.704 833 HB2 LYS 100 HB2 LYS 100 -12.223 3.101 3.887 834 HB3 LYS 100 HB3 LYS 100 -13.886 2.528 3.960 835 HG2 LYS 100 HG2 LYS 100 -14.109 3.482 6.238 836 HG3 LYS 100 HG3 LYS 100 -12.439 4.058 6.154 837 HD2 LYS 100 HD2 LYS 100 -13.017 5.538 4.265 838 HD3 LYS 100 HD3 LYS 100 -14.667 4.909 4.256 839 HE2 LYS 100 HE2 LYS 100 -15.052 5.846 6.499 840 HE3 LYS 100 HE3 LYS 100 -13.387 6.426 6.558 841 HZ1 LYS 100 HZ1 LYS 100 -14.928 8.181 5.974 842 HZ2 LYS 100 HZ2 LYS 100 -15.446 7.319 4.622 843 HZ3 LYS 100 HZ3 LYS 100 -13.860 7.882 4.703 844 H LYS 101 H LYS 101 -14.456 -0.076 4.596 845 HA LYS 101 HA LYS 101 -15.976 0.034 7.038 846 HB2 LYS 101 HB2 LYS 101 -16.226 -1.673 4.520 847 HB3 LYS 101 HB3 LYS 101 -17.397 -1.702 5.838 848 HG2 LYS 101 HG2 LYS 101 -18.056 0.578 5.428 849 HG3 LYS 101 HG3 LYS 101 -16.704 0.837 4.331 850 HD2 LYS 101 HD2 LYS 101 -18.632 0.623 2.950 851 HD3 LYS 101 HD3 LYS 101 -17.748 -0.890 2.779 852 HE2 LYS 101 HE2 LYS 101 -20.160 -0.505 4.581 853 HE3 LYS 101 HE3 LYS 101 -20.230 -1.150 2.945 854 HZ1 LYS 101 HZ1 LYS 101 -20.251 -2.940 4.478 855 HZ2 LYS 101 HZ2 LYS 101 -18.884 -2.379 5.286 856 HZ3 LYS 101 HZ3 LYS 101 -18.750 -2.963 3.708 857 H LYS 102 H LYS 102 -13.424 -1.947 5.802 858 HA LYS 102 HA LYS 102 -13.696 -4.060 7.801 859 HB2 LYS 102 HB2 LYS 102 -11.484 -3.464 5.795 860 HB3 LYS 102 HB3 LYS 102 -11.576 -4.911 6.797 861 HG2 LYS 102 HG2 LYS 102 -13.604 -5.625 5.644 862 HG3 LYS 102 HG3 LYS 102 -13.631 -4.123 4.712 863 HD2 LYS 102 HD2 LYS 102 -11.403 -4.777 3.713 864 HD3 LYS 102 HD3 LYS 102 -11.533 -6.329 4.548 865 HE2 LYS 102 HE2 LYS 102 -13.491 -5.273 2.478 866 HE3 LYS 102 HE3 LYS 102 -12.240 -6.480 2.187 867 HZ1 LYS 102 HZ1 LYS 102 -14.432 -7.459 2.528 868 HZ2 LYS 102 HZ2 LYS 102 -14.501 -6.796 4.079 869 HZ3 LYS 102 HZ3 LYS 102 -13.338 -7.965 3.716 870 H GLY 103 H GLY 103 -12.771 -0.901 7.979 871 HA2 GLY 103 HA2 GLY 103 -12.128 0.093 10.020 872 HA3 GLY 103 HA3 GLY 103 -11.257 -1.366 10.463 873 H TYR 104 H TYR 104 -10.344 -0.905 7.365 874 HA TYR 104 HA TYR 104 -7.721 0.001 8.171 875 HB2 TYR 104 HB2 TYR 104 -8.721 -0.539 5.337 876 HB3 TYR 104 HB3 TYR 104 -7.042 -0.500 5.875 877 HD1 TYR 104 HD2 TYR 104 -7.185 -2.191 8.361 878 HD2 TYR 104 HD1 TYR 104 -9.017 -2.736 4.546 879 HE1 TYR 104 HE2 TYR 104 -7.261 -4.604 8.743 880 HE2 TYR 104 HE1 TYR 104 -9.100 -5.159 4.937 881 HH TYR 104 HH TYR 104 -7.973 -6.841 6.287 882 H ASP 105 H ASP 105 -6.635 1.894 7.421 883 HA ASP 105 HA ASP 105 -8.378 4.180 6.842 884 HB2 ASP 105 HB2 ASP 105 -6.622 4.348 8.621 885 HB3 ASP 105 HB3 ASP 105 -5.375 4.083 7.401 886 H VAL 106 H VAL 106 -8.831 4.522 4.705 887 HA VAL 106 HA VAL 106 -6.897 3.570 2.678 888 HB VAL 106 HB VAL 106 -9.892 4.066 2.273 889 HG11 VAL 106 HG11 VAL 106 -7.831 2.612 0.562 890 HG12 VAL 106 HG12 VAL 106 -8.591 4.159 0.186 891 HG13 VAL 106 HG13 VAL 106 -9.559 2.687 0.224 892 HG21 VAL 106 HG21 VAL 106 -8.472 1.433 2.830 893 HG22 VAL 106 HG22 VAL 106 -10.179 1.615 2.408 894 HG23 VAL 106 HG23 VAL 106 -9.571 2.271 3.930 895 H TYR 107 H TYR 107 -5.818 5.075 1.613 896 HA TYR 107 HA TYR 107 -6.920 7.756 1.097 897 HB2 TYR 107 HB2 TYR 107 -4.177 6.566 0.473 898 HB3 TYR 107 HB3 TYR 107 -4.657 8.223 0.152 899 HD1 TYR 107 HD2 TYR 107 -3.927 5.797 2.876 900 HD2 TYR 107 HD1 TYR 107 -4.495 9.907 1.894 901 HE1 TYR 107 HE2 TYR 107 -3.030 6.449 5.066 902 HE2 TYR 107 HE1 TYR 107 -3.592 10.553 4.085 903 HH TYR 107 HH TYR 107 -3.202 9.686 6.252 904 H THR 108 H THR 108 -7.058 8.503 -1.116 905 HA THR 108 HA THR 108 -6.884 6.496 -3.290 906 HB THR 108 HB THR 108 -8.990 7.603 -4.295 907 HG1 THR 108 HG1 THR 108 -9.382 8.445 -1.592 908 HG21 THR 108 HG21 THR 108 -10.575 6.222 -2.981 909 HG22 THR 108 HG22 THR 108 -9.342 5.993 -1.738 910 HG23 THR 108 HG23 THR 108 -9.096 5.332 -3.357 911 H SER 109 H SER 109 -6.637 7.448 -5.426 912 HA SER 109 HA SER 109 -5.726 10.216 -5.620 913 HB2 SER 109 HB2 SER 109 -3.468 9.379 -6.544 914 HB3 SER 109 HB3 SER 109 -3.697 9.259 -4.806 915 HG SER 109 HG SER 109 -4.380 7.030 -5.257 916 H ARG 110 H ARG 110 -5.961 11.014 -7.657 917 HA ARG 110 HA ARG 110 -7.268 9.293 -9.614 918 HB2 ARG 110 HB2 ARG 110 -6.776 12.299 -9.603 919 HB3 ARG 110 HB3 ARG 110 -7.520 11.450 -10.952 920 HG2 ARG 110 HG2 ARG 110 -9.311 12.397 -9.730 921 HG3 ARG 110 HG3 ARG 110 -9.325 10.679 -9.342 922 HD2 ARG 110 HD2 ARG 110 -8.316 11.107 -7.165 923 HD3 ARG 110 HD3 ARG 110 -8.092 12.813 -7.563 924 HE ARG 110 HE ARG 110 -10.748 11.560 -7.322 925 HH11 ARG 110 HH11 ARG 110 -8.601 14.223 -6.582 926 HH12 ARG 110 HH12 ARG 110 -9.825 15.120 -5.754 927 HH21 ARG 110 HH21 ARG 110 -12.331 12.728 -6.236 928 HH22 ARG 110 HH22 ARG 110 -11.945 14.273 -5.555 929 H ASN 111 H ASN 111 -4.100 10.653 -9.106 930 HA ASN 111 HA ASN 111 -3.045 9.011 -11.246 931 HB2 ASN 111 HB2 ASN 111 -2.194 10.644 -12.725 932 HB3 ASN 111 HB3 ASN 111 -3.765 11.308 -12.310 933 HD21 ASN 111 HD21 ASN 111 -3.822 13.126 -10.842 934 HD22 ASN 111 HD22 ASN 111 -2.443 14.156 -10.679 935 H GLU 112 H GLU 112 -0.473 9.878 -11.406 936 HA GLU 112 HA GLU 112 0.724 8.870 -9.127 937 HB2 GLU 112 HB2 GLU 112 1.874 8.816 -11.255 938 HB3 GLU 112 HB3 GLU 112 1.901 10.565 -11.367 939 HG2 GLU 112 HG2 GLU 112 3.398 9.112 -9.149 940 HG3 GLU 112 HG3 GLU 112 4.110 9.331 -10.743 941 H ASP 113 H ASP 113 0.260 12.326 -10.008 942 HA ASP 113 HA ASP 113 1.821 13.519 -8.063 943 HB2 ASP 113 HB2 ASP 113 -0.814 14.468 -9.240 944 HB3 ASP 113 HB3 ASP 113 0.179 15.485 -8.201 945 H GLU 114 H GLU 114 -1.648 12.676 -7.784 946 HA GLU 114 HA GLU 114 -1.856 13.321 -5.011 947 HB2 GLU 114 HB2 GLU 114 -3.642 11.556 -6.735 948 HB3 GLU 114 HB3 GLU 114 -4.007 12.018 -5.084 949 HG2 GLU 114 HG2 GLU 114 -5.291 13.499 -6.329 950 HG3 GLU 114 HG3 GLU 114 -3.869 14.453 -5.915 951 H ALA 115 H ALA 115 -0.899 10.422 -6.763 952 HA ALA 115 HA ALA 115 -1.264 8.504 -4.706 953 HB1 ALA 115 HB1 ALA 115 0.169 7.050 -6.056 954 HB2 ALA 115 HB2 ALA 115 0.693 8.427 -7.032 955 HB3 ALA 115 HB3 ALA 115 -0.991 7.896 -7.078 956 H LYS 116 H LYS 116 1.654 10.239 -5.781 957 HA LYS 116 HA LYS 116 3.477 9.452 -3.825 958 HB2 LYS 116 HB2 LYS 116 4.213 10.579 -5.857 959 HB3 LYS 116 HB3 LYS 116 3.253 12.006 -5.481 960 HG2 LYS 116 HG2 LYS 116 4.723 12.399 -3.471 961 HG3 LYS 116 HG3 LYS 116 5.744 11.064 -4.001 962 HD2 LYS 116 HD2 LYS 116 5.185 13.361 -5.895 963 HD3 LYS 116 HD3 LYS 116 6.358 13.575 -4.601 964 HE2 LYS 116 HE2 LYS 116 7.478 12.947 -6.679 965 HE3 LYS 116 HE3 LYS 116 7.673 11.686 -5.474 966 HZ1 LYS 116 HZ1 LYS 116 5.859 11.658 -7.794 967 HZ2 LYS 116 HZ2 LYS 116 5.885 10.464 -6.606 968 HZ3 LYS 116 HZ3 LYS 116 7.239 10.720 -7.577 969 H LYS 117 H LYS 117 1.109 12.089 -3.905 970 HA LYS 117 HA LYS 117 1.816 13.502 -1.587 971 HB2 LYS 117 HB2 LYS 117 -0.031 13.850 -3.596 972 HB3 LYS 117 HB3 LYS 117 -1.107 13.311 -2.323 973 HG2 LYS 117 HG2 LYS 117 0.704 15.735 -2.288 974 HG3 LYS 117 HG3 LYS 117 -1.055 15.725 -2.423 975 HD2 LYS 117 HD2 LYS 117 -1.166 14.725 -0.110 976 HD3 LYS 117 HD3 LYS 117 0.588 14.895 0.004 977 HE2 LYS 117 HE2 LYS 117 -1.452 17.124 -0.259 978 HE3 LYS 117 HE3 LYS 117 -0.461 16.751 1.149 979 HZ1 LYS 117 HZ1 LYS 117 0.536 17.723 -1.476 980 HZ2 LYS 117 HZ2 LYS 117 1.508 17.337 -0.149 981 HZ3 LYS 117 HZ3 LYS 117 0.426 18.624 -0.057 982 H LYS 118 H LYS 118 -0.585 10.922 -2.104 983 HA LYS 118 HA LYS 118 -1.481 10.755 0.595 984 HB2 LYS 118 HB2 LYS 118 -1.806 8.785 -1.711 985 HB3 LYS 118 HB3 LYS 118 -2.678 8.701 -0.190 986 HG2 LYS 118 HG2 LYS 118 -2.940 10.915 -2.248 987 HG3 LYS 118 HG3 LYS 118 -4.048 9.567 -2.044 988 HD2 LYS 118 HD2 LYS 118 -5.190 11.239 -0.924 989 HD3 LYS 118 HD3 LYS 118 -4.307 10.512 0.411 990 HE2 LYS 118 HE2 LYS 118 -2.587 12.321 0.181 991 HE3 LYS 118 HE3 LYS 118 -3.587 13.063 -1.071 992 HZ1 LYS 118 HZ1 LYS 118 -4.440 12.580 1.735 993 HZ2 LYS 118 HZ2 LYS 118 -5.345 13.358 0.536 994 HZ3 LYS 118 HZ3 LYS 118 -3.921 14.063 1.114 995 H LEU 119 H LEU 119 1.027 9.185 -1.266 996 HA LEU 119 HA LEU 119 1.364 6.909 0.427 997 HB2 LEU 119 HB2 LEU 119 1.894 6.858 -1.976 998 HB3 LEU 119 HB3 LEU 119 3.175 8.035 -1.738 999 HG LEU 119 HG LEU 119 4.572 6.433 -0.591 1000 HD11 LEU 119 HD11 LEU 119 2.926 5.362 0.844 1001 HD12 LEU 119 HD12 LEU 119 3.844 4.144 -0.031 1002 HD13 LEU 119 HD13 LEU 119 2.201 4.541 -0.542 1003 HD21 LEU 119 HD21 LEU 119 4.562 6.184 -3.036 1004 HD22 LEU 119 HD22 LEU 119 3.241 5.017 -2.930 1005 HD23 LEU 119 HD23 LEU 119 4.822 4.626 -2.248 1006 H LYS 120 H LYS 120 3.141 9.967 0.004 1007 HA LYS 120 HA LYS 120 4.957 9.361 2.140 1008 HB2 LYS 120 HB2 LYS 120 4.520 11.971 0.655 1009 HB3 LYS 120 HB3 LYS 120 5.799 11.671 1.838 1010 HG2 LYS 120 HG2 LYS 120 6.327 9.575 0.278 1011 HG3 LYS 120 HG3 LYS 120 5.478 10.528 -0.937 1012 HD2 LYS 120 HD2 LYS 120 7.899 11.460 0.645 1013 HD3 LYS 120 HD3 LYS 120 7.956 10.804 -0.991 1014 HE2 LYS 120 HE2 LYS 120 6.536 12.707 -1.766 1015 HE3 LYS 120 HE3 LYS 120 6.590 13.378 -0.129 1016 HZ1 LYS 120 HZ1 LYS 120 8.977 12.814 -1.798 1017 HZ2 LYS 120 HZ2 LYS 120 8.964 13.574 -0.292 1018 HZ3 LYS 120 HZ3 LYS 120 8.272 14.342 -1.631 1019 H GLU 121 H GLU 121 1.856 11.037 1.937 1020 HA GLU 121 HA GLU 121 1.684 11.919 4.606 1021 HB2 GLU 121 HB2 GLU 121 -0.422 10.850 2.700 1022 HB3 GLU 121 HB3 GLU 121 -0.845 11.259 4.359 1023 HG2 GLU 121 HG2 GLU 121 0.045 13.595 3.920 1024 HG3 GLU 121 HG3 GLU 121 0.218 13.141 2.225 1025 H ALA 122 H ALA 122 1.018 8.720 3.197 1026 HA ALA 122 HA ALA 122 0.338 7.333 5.564 1027 HB1 ALA 122 HB1 ALA 122 0.683 5.319 4.210 1028 HB2 ALA 122 HB2 ALA 122 1.506 6.270 2.967 1029 HB3 ALA 122 HB3 ALA 122 -0.208 6.541 3.308 1030 H LEU 123 H LEU 123 3.461 8.033 4.042 1031 HA LEU 123 HA LEU 123 5.047 6.261 5.610 1032 HB2 LEU 123 HB2 LEU 123 5.780 8.759 4.037 1033 HB3 LEU 123 HB3 LEU 123 6.974 7.763 4.851 1034 HG LEU 123 HG LEU 123 5.158 6.827 2.588 1035 HD11 LEU 123 HD11 LEU 123 8.134 7.404 2.551 1036 HD12 LEU 123 HD12 LEU 123 6.876 8.398 1.814 1037 HD13 LEU 123 HD13 LEU 123 7.175 6.771 1.210 1038 HD21 LEU 123 HD21 LEU 123 6.550 4.771 2.588 1039 HD22 LEU 123 HD22 LEU 123 5.648 4.969 4.088 1040 HD23 LEU 123 HD23 LEU 123 7.374 5.340 4.042 1041 H GLU 124 H GLU 124 4.228 9.725 5.957 1042 HA GLU 124 HA GLU 124 5.664 10.042 8.427 1043 HB2 GLU 124 HB2 GLU 124 3.479 11.768 7.197 1044 HB3 GLU 124 HB3 GLU 124 4.473 12.208 8.585 1045 HG2 GLU 124 HG2 GLU 124 6.481 11.743 6.880 1046 HG3 GLU 124 HG3 GLU 124 5.232 12.050 5.674 1047 H LYS 125 H LYS 125 2.466 9.011 7.575 1048 HA LYS 125 HA LYS 125 1.218 9.277 10.155 1049 HB2 LYS 125 HB2 LYS 125 0.092 9.432 7.893 1050 HB3 LYS 125 HB3 LYS 125 0.341 7.712 7.675 1051 HG2 LYS 125 HG2 LYS 125 -1.167 8.651 10.091 1052 HG3 LYS 125 HG3 LYS 125 -1.965 8.730 8.521 1053 HD2 LYS 125 HD2 LYS 125 -1.460 6.259 8.242 1054 HD3 LYS 125 HD3 LYS 125 -0.887 6.248 9.916 1055 HE2 LYS 125 HE2 LYS 125 -3.251 5.490 9.694 1056 HE3 LYS 125 HE3 LYS 125 -3.095 6.923 10.713 1057 HZ1 LYS 125 HZ1 LYS 125 -3.841 6.985 7.836 1058 HZ2 LYS 125 HZ2 LYS 125 -3.819 8.296 8.906 1059 HZ3 LYS 125 HZ3 LYS 125 -4.939 7.056 9.115 1060 H SER 126 H SER 126 2.988 6.815 8.387 1061 HA SER 126 HA SER 126 2.490 4.703 10.289 1062 HB2 SER 126 HB2 SER 126 4.234 3.469 9.028 1063 HB3 SER 126 HB3 SER 126 2.989 4.126 7.971 1064 HG SER 126 HG SER 126 4.444 5.240 6.998 1065 H GLY 127 H GLY 127 4.866 7.207 9.765 1066 HA2 GLY 127 HA2 GLY 127 5.663 8.263 11.816 1067 HA3 GLY 127 HA3 GLY 127 5.999 6.665 12.458 1068 H SER 128 H SER 128 6.921 6.877 9.138 1069 HA SER 128 HA SER 128 9.724 6.845 9.771 1070 HB2 SER 128 HB2 SER 128 10.105 6.700 7.348 1071 HB3 SER 128 HB3 SER 128 8.779 5.629 7.788 1072 HG SER 128 HG SER 128 8.805 7.731 6.090 1073 H LEU 129 H LEU 129 7.486 9.250 8.469 1074 HA LEU 129 HA LEU 129 7.450 11.489 8.380 1075 HB2 LEU 129 HB2 LEU 129 9.813 11.344 10.282 1076 HB3 LEU 129 HB3 LEU 129 8.988 12.837 9.855 1077 HG LEU 129 HG LEU 129 7.677 10.489 11.299 1078 HD11 LEU 129 HD11 LEU 129 7.705 11.927 13.290 1079 HD12 LEU 129 HD12 LEU 129 8.619 13.153 12.407 1080 HD13 LEU 129 HD13 LEU 129 9.339 11.573 12.727 1081 HD21 LEU 129 HD21 LEU 129 6.055 11.751 9.966 1082 HD22 LEU 129 HD22 LEU 129 6.598 13.267 10.690 1083 HD23 LEU 129 HD23 LEU 129 5.800 12.046 11.686 1084 H GLU 130 H GLU 130 8.674 13.475 7.634 1085 HA GLU 130 HA GLU 130 10.392 12.784 5.398 1086 HB2 GLU 130 HB2 GLU 130 10.259 15.209 4.822 1087 HB3 GLU 130 HB3 GLU 130 8.685 14.436 4.946 1088 HG2 GLU 130 HG2 GLU 130 8.230 15.512 7.054 1089 HG3 GLU 130 HG3 GLU 130 9.885 16.089 7.186 1090 H HIS 131 H HIS 131 12.506 12.615 5.603 1091 HA HIS 131 HA HIS 131 13.966 13.565 7.936 1092 HB2 HIS 131 HB2 HIS 131 14.919 12.120 5.414 1093 HB3 HIS 131 HB3 HIS 131 15.906 12.426 6.839 1094 HD2 HIS 131 HD2 HIS 131 12.607 10.396 6.010 1095 HE1 HIS 131 HE1 HIS 131 14.680 8.582 9.207 1096 HE2 HIS 131 HE2 HIS 131 12.839 8.308 7.497 1097 H HIS 132 H HIS 132 13.639 14.337 4.556 1098 HA HIS 132 HA HIS 132 15.259 16.791 4.784 1099 HB2 HIS 132 HB2 HIS 132 15.114 16.817 2.301 1100 HB3 HIS 132 HB3 HIS 132 15.792 15.297 2.884 1101 HD2 HIS 132 HD2 HIS 132 13.083 16.482 0.519 1102 HE1 HIS 132 HE1 HIS 132 12.070 12.512 1.553 1103 HE2 HIS 132 HE2 HIS 132 11.693 14.388 -0.087 1104 H HIS 133 H HIS 133 14.232 18.693 3.557 1105 HA HIS 133 HA HIS 133 11.276 18.757 3.738 1106 HB2 HIS 133 HB2 HIS 133 11.363 21.038 4.643 1107 HB3 HIS 133 HB3 HIS 133 12.258 19.955 5.697 1108 HD1 HIS 133 HD1 HIS 133 14.841 20.278 5.807 1109 HD2 HIS 133 HD2 HIS 133 12.887 23.065 3.424 1110 HE1 HIS 133 HE1 HIS 133 16.521 22.093 5.376 1111 HE2 HIS 133 HE2 HIS 133 15.346 23.702 3.849 1112 H HIS 134 H HIS 134 10.257 19.976 2.136 1113 HA HIS 134 HA HIS 134 11.969 20.973 -0.071 1114 HB2 HIS 134 HB2 HIS 134 10.018 20.603 -1.585 1115 HB3 HIS 134 HB3 HIS 134 10.580 19.122 -0.832 1116 HD1 HIS 134 HD1 HIS 134 7.649 21.473 -0.893 1117 HD2 HIS 134 HD2 HIS 134 8.689 17.819 0.789 1118 HE1 HIS 134 HE1 HIS 134 5.509 20.493 -0.028 1119 HE2 HIS 134 HE2 HIS 134 6.168 18.292 0.988 1120 H HIS 135 H HIS 135 12.081 23.117 -0.198 1121 HA HIS 135 HA HIS 135 9.899 24.923 -0.070 1122 HB2 HIS 135 HB2 HIS 135 10.081 24.420 2.396 1123 HB3 HIS 135 HB3 HIS 135 11.741 24.995 2.384 1124 HD1 HIS 135 HD1 HIS 135 12.095 27.581 2.228 1125 HD2 HIS 135 HD2 HIS 135 8.102 26.436 2.427 1126 HE1 HIS 135 HE1 HIS 135 10.818 29.679 2.723 1127 HE2 HIS 135 HE2 HIS 135 8.453 28.911 3.069 1128 H HIS 136 H HIS 136 10.484 26.523 -1.377 1129 HA HIS 136 HA HIS 136 11.605 28.045 -2.600 1130 HB2 HIS 136 HB2 HIS 136 12.074 29.025 -0.346 1131 HB3 HIS 136 HB3 HIS 136 13.557 28.087 -0.247 1132 HD1 HIS 136 HD1 HIS 136 15.604 28.968 -1.526 1133 HD2 HIS 136 HD2 HIS 136 12.178 31.231 -2.176 1134 HE1 HIS 136 HE1 HIS 136 16.388 31.064 -2.665 1135 HE2 HIS 136 HE2 HIS 136 14.324 32.473 -2.902 Start of MODEL 18 1 H1 MET 1 H1 MET 1 2.973 -1.282 15.647 2 H2 MET 1 H2 MET 1 2.413 0.275 15.320 3 H3 MET 1 H3 MET 1 2.968 -0.117 16.869 4 HA MET 1 HA MET 1 4.587 1.194 15.671 5 HB2 MET 1 HB2 MET 1 5.371 -0.446 17.351 6 HB3 MET 1 HB3 MET 1 5.385 -1.716 16.137 7 HG2 MET 1 HG2 MET 1 7.189 -0.530 14.936 8 HG3 MET 1 HG3 MET 1 7.187 0.715 16.184 9 HE1 MET 1 HE1 MET 1 6.786 -1.029 18.892 10 HE2 MET 1 HE2 MET 1 7.954 0.284 18.718 11 HE3 MET 1 HE3 MET 1 8.477 -1.289 19.318 12 H GLY 2 H GLY 2 4.408 -2.085 14.196 13 HA2 GLY 2 HA2 GLY 2 5.619 -1.357 11.721 14 HA3 GLY 2 HA3 GLY 2 4.731 -2.838 12.054 15 H VAL 3 H VAL 3 4.736 -0.567 9.882 16 HA VAL 3 HA VAL 3 1.779 -0.298 9.648 17 HB VAL 3 HB VAL 3 3.967 1.654 8.766 18 HG11 VAL 3 HG11 VAL 3 0.972 1.860 8.302 19 HG12 VAL 3 HG12 VAL 3 2.200 1.595 7.060 20 HG13 VAL 3 HG13 VAL 3 2.155 3.122 7.945 21 HG21 VAL 3 HG21 VAL 3 3.432 1.762 11.179 22 HG22 VAL 3 HG22 VAL 3 1.728 2.018 10.791 23 HG23 VAL 3 HG23 VAL 3 2.929 3.234 10.340 24 H VAL 4 H VAL 4 0.916 -1.156 7.793 25 HA VAL 4 HA VAL 4 2.756 -1.983 5.609 26 HB VAL 4 HB VAL 4 0.103 -3.323 6.351 27 HG11 VAL 4 HG11 VAL 4 2.304 -4.203 4.444 28 HG12 VAL 4 HG12 VAL 4 0.710 -3.595 3.987 29 HG13 VAL 4 HG13 VAL 4 0.858 -5.131 4.842 30 HG21 VAL 4 HG21 VAL 4 1.734 -3.669 8.171 31 HG22 VAL 4 HG22 VAL 4 2.914 -4.284 7.012 32 HG23 VAL 4 HG23 VAL 4 1.419 -5.176 7.306 33 H ILE 5 H ILE 5 2.498 -0.624 3.972 34 HA ILE 5 HA ILE 5 -0.026 0.796 3.471 35 HB ILE 5 HB ILE 5 2.778 1.321 2.351 36 HG12 ILE 5 HG12 ILE 5 1.438 2.844 4.633 37 HG13 ILE 5 HG13 ILE 5 2.591 1.541 4.896 38 HG21 ILE 5 HG21 ILE 5 0.306 3.091 2.345 39 HG22 ILE 5 HG22 ILE 5 0.997 2.266 0.946 40 HG23 ILE 5 HG23 ILE 5 1.900 3.555 1.747 41 HD11 ILE 5 HD11 ILE 5 3.171 4.132 3.466 42 HD12 ILE 5 HD12 ILE 5 4.317 2.820 3.758 43 HD13 ILE 5 HD13 ILE 5 3.630 3.710 5.115 44 H LEU 6 H LEU 6 -1.285 -0.382 2.025 45 HA LEU 6 HA LEU 6 -0.046 -1.957 -0.132 46 HB2 LEU 6 HB2 LEU 6 -2.998 -1.761 0.567 47 HB3 LEU 6 HB3 LEU 6 -2.210 -3.014 -0.371 48 HG LEU 6 HG LEU 6 -1.897 -2.565 2.621 49 HD11 LEU 6 HD11 LEU 6 -3.131 -4.670 2.859 50 HD12 LEU 6 HD12 LEU 6 -3.390 -4.728 1.112 51 HD13 LEU 6 HD13 LEU 6 -4.093 -3.421 2.074 52 HD21 LEU 6 HD21 LEU 6 0.158 -3.461 1.680 53 HD22 LEU 6 HD22 LEU 6 -0.739 -4.750 0.873 54 HD23 LEU 6 HD23 LEU 6 -0.669 -4.688 2.637 55 H VAL 7 H VAL 7 0.483 -0.524 -1.772 56 HA VAL 7 HA VAL 7 -1.458 1.485 -2.656 57 HB VAL 7 HB VAL 7 1.380 0.969 -3.682 58 HG11 VAL 7 HG11 VAL 7 -0.030 2.117 -5.346 59 HG12 VAL 7 HG12 VAL 7 1.194 3.212 -4.703 60 HG13 VAL 7 HG13 VAL 7 -0.478 3.336 -4.149 61 HG21 VAL 7 HG21 VAL 7 2.040 2.940 -2.343 62 HG22 VAL 7 HG22 VAL 7 1.400 1.657 -1.313 63 HG23 VAL 7 HG23 VAL 7 0.401 3.061 -1.697 64 H LEU 8 H LEU 8 -3.043 0.593 -3.830 65 HA LEU 8 HA LEU 8 -2.602 -1.509 -5.817 66 HB2 LEU 8 HB2 LEU 8 -5.091 -0.112 -4.759 67 HB3 LEU 8 HB3 LEU 8 -5.155 -1.156 -6.166 68 HG LEU 8 HG LEU 8 -4.399 -3.081 -4.748 69 HD11 LEU 8 HD11 LEU 8 -4.447 -2.919 -2.305 70 HD12 LEU 8 HD12 LEU 8 -4.682 -1.172 -2.420 71 HD13 LEU 8 HD13 LEU 8 -3.185 -1.901 -3.003 72 HD21 LEU 8 HD21 LEU 8 -6.549 -3.402 -3.590 73 HD22 LEU 8 HD22 LEU 8 -6.783 -2.733 -5.201 74 HD23 LEU 8 HD23 LEU 8 -6.923 -1.686 -3.786 75 H THR 9 H THR 9 -1.585 -0.634 -7.631 76 HA THR 9 HA THR 9 -2.729 1.857 -8.798 77 HB THR 9 HB THR 9 -0.650 1.969 -10.154 78 HG1 THR 9 HG1 THR 9 0.371 0.152 -10.437 79 HG21 THR 9 HG21 THR 9 -0.584 3.076 -7.951 80 HG22 THR 9 HG22 THR 9 1.002 2.437 -8.384 81 HG23 THR 9 HG23 THR 9 -0.003 1.583 -7.213 82 H GLY 10 H GLY 10 -3.991 1.642 -10.574 83 HA2 GLY 10 HA2 GLY 10 -4.321 -0.807 -12.051 84 HA3 GLY 10 HA3 GLY 10 -4.960 0.778 -12.482 85 H ASP 11 H ASP 11 -2.478 2.121 -12.369 86 HA ASP 11 HA ASP 11 -1.198 1.267 -14.864 87 HB2 ASP 11 HB2 ASP 11 -2.093 3.644 -14.545 88 HB3 ASP 11 HB3 ASP 11 -0.816 3.894 -13.360 89 H GLU 12 H GLU 12 0.492 -0.014 -14.587 90 HA GLU 12 HA GLU 12 1.695 -0.507 -12.037 91 HB2 GLU 12 HB2 GLU 12 1.190 -2.233 -13.795 92 HB3 GLU 12 HB3 GLU 12 2.490 -1.571 -14.778 93 HG2 GLU 12 HG2 GLU 12 4.128 -2.195 -13.052 94 HG3 GLU 12 HG3 GLU 12 2.836 -2.827 -12.030 95 H ARG 13 H ARG 13 2.574 1.425 -14.807 96 HA ARG 13 HA ARG 13 5.343 1.790 -14.471 97 HB2 ARG 13 HB2 ARG 13 4.042 2.521 -16.479 98 HB3 ARG 13 HB3 ARG 13 3.273 3.773 -15.513 99 HG2 ARG 13 HG2 ARG 13 5.683 4.665 -15.116 100 HG3 ARG 13 HG3 ARG 13 6.141 3.614 -16.457 101 HD2 ARG 13 HD2 ARG 13 4.129 5.886 -16.542 102 HD3 ARG 13 HD3 ARG 13 5.741 5.882 -17.259 103 HE ARG 13 HE ARG 13 4.209 3.753 -18.316 104 HH11 ARG 13 HH11 ARG 13 4.440 7.266 -18.549 105 HH12 ARG 13 HH12 ARG 13 3.773 7.319 -20.150 106 HH21 ARG 13 HH21 ARG 13 3.295 3.856 -20.413 107 HH22 ARG 13 HH22 ARG 13 3.127 5.395 -21.199 108 H ILE 14 H ILE 14 2.568 3.603 -13.190 109 HA ILE 14 HA ILE 14 3.864 5.588 -11.705 110 HB ILE 14 HB ILE 14 1.140 4.254 -11.309 111 HG12 ILE 14 HG12 ILE 14 1.939 6.939 -12.528 112 HG13 ILE 14 HG13 ILE 14 1.361 5.531 -13.406 113 HG21 ILE 14 HG21 ILE 14 2.159 6.725 -9.869 114 HG22 ILE 14 HG22 ILE 14 1.791 5.166 -9.132 115 HG23 ILE 14 HG23 ILE 14 0.497 6.137 -9.832 116 HD11 ILE 14 HD11 ILE 14 -0.240 7.222 -11.484 117 HD12 ILE 14 HD12 ILE 14 -0.828 5.765 -12.293 118 HD13 ILE 14 HD13 ILE 14 -0.378 7.181 -13.244 119 H ALA 15 H ALA 15 3.045 2.238 -10.816 120 HA ALA 15 HA ALA 15 3.489 2.347 -8.055 121 HB1 ALA 15 HB1 ALA 15 3.888 -0.036 -9.887 122 HB2 ALA 15 HB2 ALA 15 2.357 0.474 -9.177 123 HB3 ALA 15 HB3 ALA 15 3.660 -0.093 -8.132 124 H GLU 16 H GLU 16 5.832 1.848 -10.695 125 HA GLU 16 HA GLU 16 8.055 1.132 -9.034 126 HB2 GLU 16 HB2 GLU 16 7.905 0.612 -11.507 127 HB3 GLU 16 HB3 GLU 16 8.141 2.326 -11.842 128 HG2 GLU 16 HG2 GLU 16 10.344 2.193 -10.622 129 HG3 GLU 16 HG3 GLU 16 10.118 0.451 -10.491 130 H GLU 17 H GLU 17 6.849 4.172 -10.404 131 HA GLU 17 HA GLU 17 9.035 5.861 -9.687 132 HB2 GLU 17 HB2 GLU 17 6.123 6.494 -10.354 133 HB3 GLU 17 HB3 GLU 17 7.363 7.733 -10.134 134 HG2 GLU 17 HG2 GLU 17 8.611 6.932 -12.030 135 HG3 GLU 17 HG3 GLU 17 7.588 5.505 -12.173 136 H LEU 18 H LEU 18 5.992 5.033 -8.131 137 HA LEU 18 HA LEU 18 6.199 6.681 -5.852 138 HB2 LEU 18 HB2 LEU 18 4.757 4.027 -6.243 139 HB3 LEU 18 HB3 LEU 18 4.551 5.061 -4.842 140 HG LEU 18 HG LEU 18 3.764 5.748 -7.701 141 HD11 LEU 18 HD11 LEU 18 1.462 5.656 -6.869 142 HD12 LEU 18 HD12 LEU 18 2.042 5.178 -5.271 143 HD13 LEU 18 HD13 LEU 18 2.283 4.110 -6.656 144 HD21 LEU 18 HD21 LEU 18 3.437 7.444 -5.199 145 HD22 LEU 18 HD22 LEU 18 2.773 7.809 -6.794 146 HD23 LEU 18 HD23 LEU 18 4.516 7.782 -6.557 147 H ARG 19 H ARG 19 7.432 3.439 -6.602 148 HA ARG 19 HA ARG 19 8.330 2.726 -4.022 149 HB2 ARG 19 HB2 ARG 19 8.075 1.090 -5.895 150 HB3 ARG 19 HB3 ARG 19 9.467 1.810 -6.704 151 HG2 ARG 19 HG2 ARG 19 10.889 1.189 -4.750 152 HG3 ARG 19 HG3 ARG 19 9.486 0.434 -3.996 153 HD2 ARG 19 HD2 ARG 19 9.366 -1.189 -5.861 154 HD3 ARG 19 HD3 ARG 19 10.786 -0.433 -6.602 155 HE ARG 19 HE ARG 19 11.009 -1.455 -3.860 156 HH11 ARG 19 HH11 ARG 19 11.904 -1.889 -7.244 157 HH12 ARG 19 HH12 ARG 19 13.165 -3.023 -6.881 158 HH21 ARG 19 HH21 ARG 19 12.646 -2.924 -3.398 159 HH22 ARG 19 HH22 ARG 19 13.585 -3.609 -4.689 160 H LYS 20 H LYS 20 10.025 4.247 -6.768 161 HA LYS 20 HA LYS 20 12.592 4.565 -5.725 162 HB2 LYS 20 HB2 LYS 20 11.122 6.612 -7.456 163 HB3 LYS 20 HB3 LYS 20 12.869 6.437 -7.305 164 HG2 LYS 20 HG2 LYS 20 12.792 4.291 -8.467 165 HG3 LYS 20 HG3 LYS 20 11.028 4.353 -8.507 166 HD2 LYS 20 HD2 LYS 20 11.209 6.486 -9.866 167 HD3 LYS 20 HD3 LYS 20 12.953 6.215 -9.954 168 HE2 LYS 20 HE2 LYS 20 10.773 4.420 -11.064 169 HE3 LYS 20 HE3 LYS 20 11.890 5.422 -11.989 170 HZ1 LYS 20 HZ1 LYS 20 12.675 3.120 -10.288 171 HZ2 LYS 20 HZ2 LYS 20 13.712 4.054 -11.238 172 HZ3 LYS 20 HZ3 LYS 20 12.538 3.090 -11.973 173 H GLU 21 H GLU 21 9.729 6.591 -5.459 174 HA GLU 21 HA GLU 21 10.833 8.806 -4.158 175 HB2 GLU 21 HB2 GLU 21 8.647 8.717 -5.390 176 HB3 GLU 21 HB3 GLU 21 7.960 7.800 -4.055 177 HG2 GLU 21 HG2 GLU 21 7.303 10.146 -3.936 178 HG3 GLU 21 HG3 GLU 21 8.301 9.713 -2.549 179 H VAL 22 H VAL 22 9.329 5.852 -2.858 180 HA VAL 22 HA VAL 22 9.339 6.570 -0.111 181 HB VAL 22 HB VAL 22 9.422 3.793 -1.390 182 HG11 VAL 22 HG11 VAL 22 8.762 4.570 1.477 183 HG12 VAL 22 HG12 VAL 22 10.185 3.672 0.937 184 HG13 VAL 22 HG13 VAL 22 8.580 2.955 0.786 185 HG21 VAL 22 HG21 VAL 22 7.050 5.361 -0.311 186 HG22 VAL 22 HG22 VAL 22 6.998 3.726 -0.981 187 HG23 VAL 22 HG23 VAL 22 7.417 5.094 -2.015 188 H GLN 23 H GLN 23 11.682 4.869 -2.174 189 HA GLN 23 HA GLN 23 13.489 4.116 -0.085 190 HB2 GLN 23 HB2 GLN 23 13.967 4.314 -3.095 191 HB3 GLN 23 HB3 GLN 23 15.019 3.488 -1.945 192 HG2 GLN 23 HG2 GLN 23 13.260 1.856 -1.449 193 HG3 GLN 23 HG3 GLN 23 12.135 2.712 -2.501 194 HE21 GLN 23 HE21 GLN 23 14.872 0.568 -2.384 195 HE22 GLN 23 HE22 GLN 23 14.854 0.122 -4.051 196 H LYS 24 H LYS 24 13.192 6.924 -2.170 197 HA LYS 24 HA LYS 24 15.706 8.135 -1.369 198 HB2 LYS 24 HB2 LYS 24 13.338 9.267 -2.933 199 HB3 LYS 24 HB3 LYS 24 14.866 10.112 -2.677 200 HG2 LYS 24 HG2 LYS 24 16.081 8.413 -3.938 201 HG3 LYS 24 HG3 LYS 24 14.613 7.446 -4.109 202 HD2 LYS 24 HD2 LYS 24 13.583 9.329 -5.427 203 HD3 LYS 24 HD3 LYS 24 15.122 10.196 -5.327 204 HE2 LYS 24 HE2 LYS 24 16.229 8.316 -6.515 205 HE3 LYS 24 HE3 LYS 24 14.671 7.495 -6.640 206 HZ1 LYS 24 HZ1 LYS 24 15.318 10.136 -7.836 207 HZ2 LYS 24 HZ2 LYS 24 13.853 9.318 -7.982 208 HZ3 LYS 24 HZ3 LYS 24 15.250 8.673 -8.668 209 H HIS 25 H HIS 25 12.379 8.152 -0.297 210 HA HIS 25 HA HIS 25 12.499 10.446 1.414 211 HB2 HIS 25 HB2 HIS 25 10.356 9.437 0.607 212 HB3 HIS 25 HB3 HIS 25 10.666 8.001 1.573 213 HD2 HIS 25 HD2 HIS 25 10.190 8.294 4.336 214 HE1 HIS 25 HE1 HIS 25 8.312 12.060 3.956 215 HE2 HIS 25 HE2 HIS 25 8.968 10.220 5.558 216 H ASP 26 H ASP 26 12.987 6.953 1.877 217 HA ASP 26 HA ASP 26 14.854 7.330 4.048 218 HB2 ASP 26 HB2 ASP 26 12.667 7.430 5.266 219 HB3 ASP 26 HB3 ASP 26 12.229 5.869 4.598 220 HA PRO 27 HA PRO 27 16.180 3.676 1.757 221 HB2 PRO 27 HB2 PRO 27 18.550 3.183 2.971 222 HB3 PRO 27 HB3 PRO 27 18.296 4.664 2.024 223 HG2 PRO 27 HG2 PRO 27 18.154 4.307 5.009 224 HG3 PRO 27 HG3 PRO 27 18.993 5.564 4.074 225 HD2 PRO 27 HD2 PRO 27 16.520 5.959 5.186 226 HD3 PRO 27 HD3 PRO 27 17.045 6.780 3.697 227 H ASN 28 H ASN 28 15.271 3.564 5.065 228 HA ASN 28 HA ASN 28 15.931 0.720 5.433 229 HB2 ASN 28 HB2 ASN 28 14.932 2.833 7.379 230 HB3 ASN 28 HB3 ASN 28 15.139 1.140 7.814 231 HD21 ASN 28 HD21 ASN 28 16.463 3.502 8.899 232 HD22 ASN 28 HD22 ASN 28 18.155 3.246 8.672 233 H VAL 29 H VAL 29 13.234 2.625 4.495 234 HA VAL 29 HA VAL 29 11.100 1.008 5.446 235 HB VAL 29 HB VAL 29 11.143 2.667 2.875 236 HG11 VAL 29 HG11 VAL 29 8.793 1.606 4.495 237 HG12 VAL 29 HG12 VAL 29 9.276 1.076 2.883 238 HG13 VAL 29 HG13 VAL 29 8.660 2.711 3.126 239 HG21 VAL 29 HG21 VAL 29 10.241 3.475 5.660 240 HG22 VAL 29 HG22 VAL 29 10.079 4.456 4.199 241 HG23 VAL 29 HG23 VAL 29 11.682 4.060 4.825 242 H LYS 30 H LYS 30 10.237 -0.870 4.691 243 HA LYS 30 HA LYS 30 11.545 -2.420 2.619 244 HB2 LYS 30 HB2 LYS 30 9.122 -2.932 4.404 245 HB3 LYS 30 HB3 LYS 30 9.723 -4.113 3.245 246 HG2 LYS 30 HG2 LYS 30 11.382 -2.970 5.517 247 HG3 LYS 30 HG3 LYS 30 10.476 -4.480 5.619 248 HD2 LYS 30 HD2 LYS 30 12.592 -3.970 3.500 249 HD3 LYS 30 HD3 LYS 30 12.948 -4.694 5.053 250 HE2 LYS 30 HE2 LYS 30 11.517 -6.596 4.590 251 HE3 LYS 30 HE3 LYS 30 10.915 -5.832 3.114 252 HZ1 LYS 30 HZ1 LYS 30 13.731 -6.660 3.572 253 HZ2 LYS 30 HZ2 LYS 30 13.102 -5.999 2.151 254 HZ3 LYS 30 HZ3 LYS 30 12.593 -7.520 2.667 255 H THR 31 H THR 31 10.671 -2.957 0.611 256 HA THR 31 HA THR 31 8.029 -1.875 -0.195 257 HB THR 31 HB THR 31 8.985 -0.991 -2.383 258 HG1 THR 31 HG1 THR 31 11.453 -1.300 -0.991 259 HG21 THR 31 HG21 THR 31 9.964 0.477 0.089 260 HG22 THR 31 HG22 THR 31 8.349 0.607 -0.610 261 HG23 THR 31 HG23 THR 31 9.751 1.181 -1.516 262 H VAL 32 H VAL 32 6.941 -3.436 -1.230 263 HA VAL 32 HA VAL 32 8.409 -5.697 -2.482 264 HB VAL 32 HB VAL 32 5.696 -5.915 -1.085 265 HG11 VAL 32 HG11 VAL 32 7.714 -8.042 -1.902 266 HG12 VAL 32 HG12 VAL 32 6.187 -7.689 -2.716 267 HG13 VAL 32 HG13 VAL 32 6.181 -8.333 -1.074 268 HG21 VAL 32 HG21 VAL 32 6.844 -6.883 0.860 269 HG22 VAL 32 HG22 VAL 32 7.339 -5.210 0.592 270 HG23 VAL 32 HG23 VAL 32 8.412 -6.532 0.125 271 HA PRO 33 HA PRO 33 5.672 -4.455 -5.919 272 HB2 PRO 33 HB2 PRO 33 7.006 -6.355 -7.684 273 HB3 PRO 33 HB3 PRO 33 7.227 -4.601 -7.601 274 HG2 PRO 33 HG2 PRO 33 9.166 -6.436 -6.892 275 HG3 PRO 33 HG3 PRO 33 9.111 -4.758 -6.308 276 HD2 PRO 33 HD2 PRO 33 8.185 -7.273 -4.924 277 HD3 PRO 33 HD3 PRO 33 9.059 -5.871 -4.258 278 H THR 34 H THR 34 4.480 -5.718 -7.712 279 HA THR 34 HA THR 34 2.460 -7.290 -6.549 280 HB THR 34 HB THR 34 1.637 -7.587 -8.901 281 HG1 THR 34 HG1 THR 34 3.172 -7.681 -10.363 282 HG21 THR 34 HG21 THR 34 1.463 -5.193 -9.565 283 HG22 THR 34 HG22 THR 34 2.685 -4.780 -8.357 284 HG23 THR 34 HG23 THR 34 1.120 -5.425 -7.853 285 H LYS 35 H LYS 35 5.222 -8.150 -8.544 286 HA LYS 35 HA LYS 35 4.771 -10.848 -9.075 287 HB2 LYS 35 HB2 LYS 35 7.322 -10.954 -9.329 288 HB3 LYS 35 HB3 LYS 35 6.497 -9.728 -10.288 289 HG2 LYS 35 HG2 LYS 35 7.172 -7.968 -8.792 290 HG3 LYS 35 HG3 LYS 35 7.803 -9.119 -7.616 291 HD2 LYS 35 HD2 LYS 35 8.941 -8.704 -10.410 292 HD3 LYS 35 HD3 LYS 35 9.570 -7.950 -8.945 293 HE2 LYS 35 HE2 LYS 35 10.042 -10.217 -8.016 294 HE3 LYS 35 HE3 LYS 35 9.484 -10.929 -9.532 295 HZ1 LYS 35 HZ1 LYS 35 11.779 -9.061 -9.239 296 HZ2 LYS 35 HZ2 LYS 35 11.248 -9.734 -10.691 297 HZ3 LYS 35 HZ3 LYS 35 11.891 -10.728 -9.485 298 H ASP 36 H ASP 36 6.151 -9.333 -6.198 299 HA ASP 36 HA ASP 36 6.800 -11.921 -4.974 300 HB2 ASP 36 HB2 ASP 36 7.378 -9.046 -4.145 301 HB3 ASP 36 HB3 ASP 36 7.759 -10.426 -3.124 302 H LYS 37 H LYS 37 3.994 -11.373 -5.378 303 HA LYS 37 HA LYS 37 2.595 -10.299 -3.217 304 HB2 LYS 37 HB2 LYS 37 1.574 -10.908 -5.417 305 HB3 LYS 37 HB3 LYS 37 1.701 -12.608 -5.009 306 HG2 LYS 37 HG2 LYS 37 0.085 -10.738 -3.249 307 HG3 LYS 37 HG3 LYS 37 -0.610 -11.376 -4.737 308 HD2 LYS 37 HD2 LYS 37 -0.420 -13.658 -3.935 309 HD3 LYS 37 HD3 LYS 37 0.534 -13.153 -2.548 310 HE2 LYS 37 HE2 LYS 37 -1.467 -11.930 -1.676 311 HE3 LYS 37 HE3 LYS 37 -2.405 -12.569 -3.025 312 HZ1 LYS 37 HZ1 LYS 37 -1.068 -14.177 -0.909 313 HZ2 LYS 37 HZ2 LYS 37 -1.897 -14.824 -2.229 314 HZ3 LYS 37 HZ3 LYS 37 -2.730 -13.920 -1.072 315 H GLU 38 H GLU 38 3.897 -13.551 -3.632 316 HA GLU 38 HA GLU 38 2.586 -14.785 -1.386 317 HB2 GLU 38 HB2 GLU 38 5.120 -15.662 -2.855 318 HB3 GLU 38 HB3 GLU 38 4.076 -16.683 -1.865 319 HG2 GLU 38 HG2 GLU 38 2.260 -16.486 -3.500 320 HG3 GLU 38 HG3 GLU 38 3.214 -15.357 -4.461 321 H LYS 39 H LYS 39 5.558 -13.126 -2.046 322 HA LYS 39 HA LYS 39 6.894 -13.854 0.402 323 HB2 LYS 39 HB2 LYS 39 7.945 -13.510 -1.962 324 HB3 LYS 39 HB3 LYS 39 7.848 -11.786 -1.618 325 HG2 LYS 39 HG2 LYS 39 9.200 -12.231 0.474 326 HG3 LYS 39 HG3 LYS 39 9.391 -13.891 -0.104 327 HD2 LYS 39 HD2 LYS 39 10.567 -13.082 -2.118 328 HD3 LYS 39 HD3 LYS 39 10.312 -11.409 -1.617 329 HE2 LYS 39 HE2 LYS 39 11.724 -11.790 0.375 330 HE3 LYS 39 HE3 LYS 39 11.972 -13.466 -0.117 331 HZ1 LYS 39 HZ1 LYS 39 13.847 -12.133 -0.760 332 HZ2 LYS 39 HZ2 LYS 39 12.861 -11.044 -1.591 333 HZ3 LYS 39 HZ3 LYS 39 13.032 -12.627 -2.157 334 H VAL 40 H VAL 40 4.686 -11.405 -0.539 335 HA VAL 40 HA VAL 40 5.509 -9.094 0.750 336 HB VAL 40 HB VAL 40 2.661 -10.175 0.448 337 HG11 VAL 40 HG11 VAL 40 1.919 -7.817 0.863 338 HG12 VAL 40 HG12 VAL 40 3.570 -7.412 1.339 339 HG13 VAL 40 HG13 VAL 40 2.642 -8.583 2.278 340 HG21 VAL 40 HG21 VAL 40 4.106 -8.030 -1.161 341 HG22 VAL 40 HG22 VAL 40 2.453 -8.595 -1.426 342 HG23 VAL 40 HG23 VAL 40 3.813 -9.681 -1.694 343 H LYS 41 H LYS 41 3.507 -11.714 2.098 344 HA LYS 41 HA LYS 41 3.116 -10.642 4.658 345 HB2 LYS 41 HB2 LYS 41 2.370 -12.917 5.283 346 HB3 LYS 41 HB3 LYS 41 1.682 -12.387 3.749 347 HG2 LYS 41 HG2 LYS 41 3.399 -13.747 2.543 348 HG3 LYS 41 HG3 LYS 41 3.981 -14.344 4.101 349 HD2 LYS 41 HD2 LYS 41 1.205 -14.781 2.918 350 HD3 LYS 41 HD3 LYS 41 2.479 -15.990 3.074 351 HE2 LYS 41 HE2 LYS 41 2.342 -15.775 5.554 352 HE3 LYS 41 HE3 LYS 41 1.023 -14.619 5.363 353 HZ1 LYS 41 HZ1 LYS 41 0.191 -16.837 5.827 354 HZ2 LYS 41 HZ2 LYS 41 0.970 -17.457 4.465 355 HZ3 LYS 41 HZ3 LYS 41 -0.288 -16.344 4.285 356 H GLU 42 H GLU 42 5.730 -12.529 3.316 357 HA GLU 42 HA GLU 42 7.089 -13.179 5.730 358 HB2 GLU 42 HB2 GLU 42 8.244 -12.852 2.925 359 HB3 GLU 42 HB3 GLU 42 8.997 -13.711 4.264 360 HG2 GLU 42 HG2 GLU 42 6.442 -14.493 2.834 361 HG3 GLU 42 HG3 GLU 42 8.014 -15.275 2.669 362 H GLU 43 H GLU 43 7.393 -10.525 3.373 363 HA GLU 43 HA GLU 43 9.597 -9.195 4.566 364 HB2 GLU 43 HB2 GLU 43 7.436 -8.038 2.757 365 HB3 GLU 43 HB3 GLU 43 9.022 -7.336 3.047 366 HG2 GLU 43 HG2 GLU 43 8.629 -10.047 1.757 367 HG3 GLU 43 HG3 GLU 43 8.684 -8.553 0.833 368 H ILE 44 H ILE 44 6.103 -8.943 5.006 369 HA ILE 44 HA ILE 44 5.851 -6.601 6.529 370 HB ILE 44 HB ILE 44 4.185 -9.164 6.492 371 HG12 ILE 44 HG12 ILE 44 3.640 -6.407 5.293 372 HG13 ILE 44 HG13 ILE 44 4.133 -7.836 4.396 373 HG21 ILE 44 HG21 ILE 44 3.829 -8.131 8.694 374 HG22 ILE 44 HG22 ILE 44 2.380 -7.991 7.700 375 HG23 ILE 44 HG23 ILE 44 3.434 -6.592 7.926 376 HD11 ILE 44 HD11 ILE 44 1.787 -7.466 4.094 377 HD12 ILE 44 HD12 ILE 44 1.515 -7.424 5.835 378 HD13 ILE 44 HD13 ILE 44 2.008 -8.929 5.053 379 H GLU 45 H GLU 45 6.718 -9.879 7.432 380 HA GLU 45 HA GLU 45 6.313 -9.871 10.185 381 HB2 GLU 45 HB2 GLU 45 6.694 -11.837 8.667 382 HB3 GLU 45 HB3 GLU 45 8.395 -11.426 8.582 383 HG2 GLU 45 HG2 GLU 45 6.960 -12.180 11.143 384 HG3 GLU 45 HG3 GLU 45 7.779 -13.348 10.113 385 H LYS 46 H LYS 46 9.374 -9.237 8.413 386 HA LYS 46 HA LYS 46 10.751 -8.464 10.828 387 HB2 LYS 46 HB2 LYS 46 12.704 -7.861 9.350 388 HB3 LYS 46 HB3 LYS 46 12.210 -9.537 9.335 389 HG2 LYS 46 HG2 LYS 46 11.362 -7.618 7.153 390 HG3 LYS 46 HG3 LYS 46 12.914 -8.456 7.113 391 HD2 LYS 46 HD2 LYS 46 10.156 -9.730 7.114 392 HD3 LYS 46 HD3 LYS 46 11.304 -9.692 5.779 393 HE2 LYS 46 HE2 LYS 46 12.782 -11.225 6.882 394 HE3 LYS 46 HE3 LYS 46 11.928 -11.062 8.414 395 HZ1 LYS 46 HZ1 LYS 46 10.028 -12.171 7.461 396 HZ2 LYS 46 HZ2 LYS 46 11.400 -13.138 7.262 397 HZ3 LYS 46 HZ3 LYS 46 10.783 -12.273 5.958 398 H ALA 47 H ALA 47 9.186 -6.714 8.187 399 HA ALA 47 HA ALA 47 10.208 -4.137 8.591 400 HB1 ALA 47 HB1 ALA 47 7.372 -4.890 7.794 401 HB2 ALA 47 HB2 ALA 47 8.740 -4.724 6.694 402 HB3 ALA 47 HB3 ALA 47 8.128 -3.308 7.550 403 H ARG 48 H ARG 48 7.627 -5.853 10.217 404 HA ARG 48 HA ARG 48 6.524 -3.888 11.863 405 HB2 ARG 48 HB2 ARG 48 5.422 -5.981 11.439 406 HB3 ARG 48 HB3 ARG 48 6.780 -6.907 12.063 407 HG2 ARG 48 HG2 ARG 48 6.260 -6.075 14.354 408 HG3 ARG 48 HG3 ARG 48 4.857 -5.221 13.695 409 HD2 ARG 48 HD2 ARG 48 4.233 -7.404 14.693 410 HD3 ARG 48 HD3 ARG 48 3.860 -7.336 12.970 411 HE ARG 48 HE ARG 48 6.344 -8.612 13.942 412 HH11 ARG 48 HH11 ARG 48 3.332 -8.886 12.166 413 HH12 ARG 48 HH12 ARG 48 3.691 -10.466 11.550 414 HH21 ARG 48 HH21 ARG 48 6.799 -10.698 13.144 415 HH22 ARG 48 HH22 ARG 48 5.659 -11.491 12.105 416 H LYS 49 H LYS 49 9.068 -6.309 12.689 417 HA LYS 49 HA LYS 49 9.425 -5.248 15.361 418 HB2 LYS 49 HB2 LYS 49 11.199 -6.988 15.587 419 HB3 LYS 49 HB3 LYS 49 9.632 -7.619 15.098 420 HG2 LYS 49 HG2 LYS 49 10.419 -7.798 12.761 421 HG3 LYS 49 HG3 LYS 49 12.002 -7.176 13.251 422 HD2 LYS 49 HD2 LYS 49 12.448 -9.106 14.604 423 HD3 LYS 49 HD3 LYS 49 10.780 -9.677 14.479 424 HE2 LYS 49 HE2 LYS 49 12.157 -11.043 13.059 425 HE3 LYS 49 HE3 LYS 49 11.159 -10.030 12.020 426 HZ1 LYS 49 HZ1 LYS 49 13.109 -8.532 11.822 427 HZ2 LYS 49 HZ2 LYS 49 13.365 -10.068 11.173 428 HZ3 LYS 49 HZ3 LYS 49 14.030 -9.663 12.675 429 H GLN 50 H GLN 50 10.839 -4.562 12.313 430 HA GLN 50 HA GLN 50 13.199 -3.238 13.438 431 HB2 GLN 50 HB2 GLN 50 12.173 -3.558 10.588 432 HB3 GLN 50 HB3 GLN 50 13.622 -2.642 10.994 433 HG2 GLN 50 HG2 GLN 50 13.243 -5.593 11.641 434 HG3 GLN 50 HG3 GLN 50 14.069 -4.985 10.202 435 HE21 GLN 50 HE21 GLN 50 14.230 -5.272 13.686 436 HE22 GLN 50 HE22 GLN 50 15.917 -4.932 13.829 437 H GLY 51 H GLY 51 10.017 -2.472 13.366 438 HA2 GLY 51 HA2 GLY 51 8.841 -0.546 13.758 439 HA3 GLY 51 HA3 GLY 51 10.383 0.228 14.096 440 H ARG 52 H ARG 52 9.502 -1.256 11.064 441 HA ARG 52 HA ARG 52 9.809 1.331 9.676 442 HB2 ARG 52 HB2 ARG 52 10.382 -1.509 8.708 443 HB3 ARG 52 HB3 ARG 52 10.521 -0.069 7.705 444 HG2 ARG 52 HG2 ARG 52 12.170 -0.618 10.192 445 HG3 ARG 52 HG3 ARG 52 12.699 -0.910 8.536 446 HD2 ARG 52 HD2 ARG 52 13.676 1.148 9.179 447 HD3 ARG 52 HD3 ARG 52 12.344 1.577 8.104 448 HE ARG 52 HE ARG 52 11.698 1.619 10.927 449 HH11 ARG 52 HH11 ARG 52 12.936 3.554 8.247 450 HH12 ARG 52 HH12 ARG 52 12.542 5.060 9.002 451 HH21 ARG 52 HH21 ARG 52 11.178 3.614 11.900 452 HH22 ARG 52 HH22 ARG 52 11.544 5.097 11.076 453 HA PRO 53 HA PRO 53 5.822 0.348 7.669 454 HB2 PRO 53 HB2 PRO 53 5.943 2.122 5.586 455 HB3 PRO 53 HB3 PRO 53 5.558 2.639 7.242 456 HG2 PRO 53 HG2 PRO 53 8.144 2.854 5.760 457 HG3 PRO 53 HG3 PRO 53 7.384 4.017 6.862 458 HD2 PRO 53 HD2 PRO 53 9.436 2.314 7.603 459 HD3 PRO 53 HD3 PRO 53 8.257 3.000 8.744 460 H ILE 54 H ILE 54 5.234 -0.772 5.740 461 HA ILE 54 HA ILE 54 7.372 -1.452 3.820 462 HB ILE 54 HB ILE 54 7.227 -3.454 5.104 463 HG12 ILE 54 HG12 ILE 54 5.450 -3.780 2.649 464 HG13 ILE 54 HG13 ILE 54 7.203 -3.914 2.704 465 HG21 ILE 54 HG21 ILE 54 5.201 -2.962 6.398 466 HG22 ILE 54 HG22 ILE 54 5.173 -4.611 5.769 467 HG23 ILE 54 HG23 ILE 54 4.203 -3.352 4.994 468 HD11 ILE 54 HD11 ILE 54 6.138 -6.078 2.542 469 HD12 ILE 54 HD12 ILE 54 5.246 -5.779 4.029 470 HD13 ILE 54 HD13 ILE 54 7.004 -5.923 4.068 471 H VAL 55 H VAL 55 6.763 -0.723 1.889 472 HA VAL 55 HA VAL 55 3.939 -0.148 1.363 473 HB VAL 55 HB VAL 55 6.363 0.729 -0.278 474 HG11 VAL 55 HG11 VAL 55 4.789 2.410 -1.191 475 HG12 VAL 55 HG12 VAL 55 3.487 1.712 -0.223 476 HG13 VAL 55 HG13 VAL 55 4.237 0.762 -1.509 477 HG21 VAL 55 HG21 VAL 55 4.906 2.277 1.905 478 HG22 VAL 55 HG22 VAL 55 6.176 2.920 0.858 479 HG23 VAL 55 HG23 VAL 55 6.551 1.640 2.010 480 H VAL 56 H VAL 56 3.004 -1.893 0.649 481 HA VAL 56 HA VAL 56 4.196 -3.791 -1.205 482 HB VAL 56 HB VAL 56 1.450 -3.779 0.155 483 HG11 VAL 56 HG11 VAL 56 1.467 -5.188 -1.852 484 HG12 VAL 56 HG12 VAL 56 1.384 -6.189 -0.403 485 HG13 VAL 56 HG13 VAL 56 2.908 -6.035 -1.278 486 HG21 VAL 56 HG21 VAL 56 4.002 -5.207 1.013 487 HG22 VAL 56 HG22 VAL 56 2.419 -5.368 1.777 488 HG23 VAL 56 HG23 VAL 56 3.262 -3.818 1.821 489 H PHE 57 H PHE 57 4.085 -3.103 -3.285 490 HA PHE 57 HA PHE 57 1.812 -1.658 -4.351 491 HB2 PHE 57 HB2 PHE 57 4.297 -2.783 -5.732 492 HB3 PHE 57 HB3 PHE 57 3.119 -1.689 -6.463 493 HD1 PHE 57 HD1 PHE 57 2.922 0.671 -5.646 494 HD2 PHE 57 HD2 PHE 57 6.007 -1.932 -4.212 495 HE1 PHE 57 HE1 PHE 57 4.131 2.599 -4.722 496 HE2 PHE 57 HE2 PHE 57 7.209 0.009 -3.297 497 HZ PHE 57 HZ PHE 57 6.267 2.271 -3.546 498 H VAL 58 H VAL 58 0.047 -2.879 -4.462 499 HA VAL 58 HA VAL 58 0.041 -5.461 -5.912 500 HB VAL 58 HB VAL 58 -2.249 -4.055 -4.416 501 HG11 VAL 58 HG11 VAL 58 -3.480 -6.189 -4.630 502 HG12 VAL 58 HG12 VAL 58 -2.149 -6.880 -5.560 503 HG13 VAL 58 HG13 VAL 58 -3.075 -5.531 -6.220 504 HG21 VAL 58 HG21 VAL 58 -1.968 -5.769 -2.648 505 HG22 VAL 58 HG22 VAL 58 -0.516 -4.779 -2.825 506 HG23 VAL 58 HG23 VAL 58 -0.555 -6.413 -3.495 507 H ARG 59 H ARG 59 -1.080 -5.551 -7.945 508 HA ARG 59 HA ARG 59 -1.634 -2.976 -9.197 509 HB2 ARG 59 HB2 ARG 59 -0.430 -4.810 -10.438 510 HB3 ARG 59 HB3 ARG 59 -1.912 -5.765 -10.417 511 HG2 ARG 59 HG2 ARG 59 -3.055 -4.200 -11.814 512 HG3 ARG 59 HG3 ARG 59 -1.797 -2.983 -11.616 513 HD2 ARG 59 HD2 ARG 59 -0.230 -4.422 -12.907 514 HD3 ARG 59 HD3 ARG 59 -1.531 -5.602 -13.137 515 HE ARG 59 HE ARG 59 -2.722 -3.477 -14.123 516 HH11 ARG 59 HH11 ARG 59 0.626 -4.439 -14.708 517 HH12 ARG 59 HH12 ARG 59 0.672 -3.700 -16.283 518 HH21 ARG 59 HH21 ARG 59 -2.642 -2.524 -16.152 519 HH22 ARG 59 HH22 ARG 59 -1.187 -2.609 -17.102 520 H GLY 60 H GLY 60 -3.626 -2.129 -9.478 521 HA2 GLY 60 HA2 GLY 60 -5.809 -2.956 -7.912 522 HA3 GLY 60 HA3 GLY 60 -5.842 -1.700 -9.136 523 H GLY 61 H GLY 61 -4.881 -3.968 -11.080 524 HA2 GLY 61 HA2 GLY 61 -7.370 -4.823 -12.138 525 HA3 GLY 61 HA3 GLY 61 -5.801 -5.488 -12.555 526 H ASP 62 H ASP 62 -5.546 -6.019 -9.505 527 HA ASP 62 HA ASP 62 -7.549 -8.148 -9.145 528 HB2 ASP 62 HB2 ASP 62 -5.053 -8.931 -9.704 529 HB3 ASP 62 HB3 ASP 62 -4.757 -8.538 -8.019 530 H ASP 63 H ASP 63 -8.792 -7.101 -7.715 531 HA ASP 63 HA ASP 63 -7.873 -5.477 -5.524 532 HB2 ASP 63 HB2 ASP 63 -10.025 -5.041 -6.634 533 HB3 ASP 63 HB3 ASP 63 -10.603 -6.650 -6.236 534 H GLU 64 H GLU 64 -8.566 -8.854 -6.022 535 HA GLU 64 HA GLU 64 -9.362 -9.558 -3.371 536 HB2 GLU 64 HB2 GLU 64 -10.083 -10.772 -5.438 537 HB3 GLU 64 HB3 GLU 64 -8.443 -11.379 -5.641 538 HG2 GLU 64 HG2 GLU 64 -8.622 -12.627 -3.534 539 HG3 GLU 64 HG3 GLU 64 -10.238 -11.971 -3.260 540 H ARG 65 H ARG 65 -6.260 -9.698 -5.132 541 HA ARG 65 HA ARG 65 -4.761 -11.166 -3.239 542 HB2 ARG 65 HB2 ARG 65 -3.791 -8.999 -5.146 543 HB3 ARG 65 HB3 ARG 65 -2.737 -10.080 -4.249 544 HG2 ARG 65 HG2 ARG 65 -4.712 -10.913 -6.385 545 HG3 ARG 65 HG3 ARG 65 -2.973 -10.740 -6.596 546 HD2 ARG 65 HD2 ARG 65 -3.431 -13.069 -6.368 547 HD3 ARG 65 HD3 ARG 65 -2.675 -12.556 -4.870 548 HE ARG 65 HE ARG 65 -4.683 -12.882 -3.731 549 HH11 ARG 65 HH11 ARG 65 -5.162 -13.578 -7.161 550 HH12 ARG 65 HH12 ARG 65 -6.680 -14.372 -6.891 551 HH21 ARG 65 HH21 ARG 65 -6.665 -13.864 -3.420 552 HH22 ARG 65 HH22 ARG 65 -7.532 -14.532 -4.770 553 H ALA 66 H ALA 66 -5.444 -7.716 -3.524 554 HA ALA 66 HA ALA 66 -3.788 -6.717 -1.480 555 HB1 ALA 66 HB1 ALA 66 -4.816 -5.314 -3.213 556 HB2 ALA 66 HB2 ALA 66 -5.210 -4.713 -1.598 557 HB3 ALA 66 HB3 ALA 66 -6.412 -5.615 -2.530 558 H LYS 67 H LYS 67 -7.028 -8.123 -1.422 559 HA LYS 67 HA LYS 67 -7.728 -7.412 1.256 560 HB2 LYS 67 HB2 LYS 67 -8.753 -9.697 -0.485 561 HB3 LYS 67 HB3 LYS 67 -9.509 -9.131 1.004 562 HG2 LYS 67 HG2 LYS 67 -9.981 -6.959 -0.027 563 HG3 LYS 67 HG3 LYS 67 -9.150 -7.457 -1.500 564 HD2 LYS 67 HD2 LYS 67 -11.561 -7.662 -1.833 565 HD3 LYS 67 HD3 LYS 67 -10.829 -9.267 -1.825 566 HE2 LYS 67 HE2 LYS 67 -11.580 -9.596 0.514 567 HE3 LYS 67 HE3 LYS 67 -12.298 -7.983 0.511 568 HZ1 LYS 67 HZ1 LYS 67 -13.122 -10.254 -1.229 569 HZ2 LYS 67 HZ2 LYS 67 -13.788 -8.704 -1.270 570 HZ3 LYS 67 HZ3 LYS 67 -13.969 -9.658 0.109 571 H ASP 68 H ASP 68 -6.298 -10.317 -0.211 572 HA ASP 68 HA ASP 68 -6.126 -11.983 2.052 573 HB2 ASP 68 HB2 ASP 68 -4.202 -11.853 -0.310 574 HB3 ASP 68 HB3 ASP 68 -4.314 -13.190 0.829 575 H ILE 69 H ILE 69 -3.862 -9.627 0.771 576 HA ILE 69 HA ILE 69 -1.754 -10.012 2.662 577 HB ILE 69 HB ILE 69 -2.371 -7.776 0.679 578 HG12 ILE 69 HG12 ILE 69 -0.321 -10.041 0.492 579 HG13 ILE 69 HG13 ILE 69 -1.908 -10.080 -0.264 580 HG21 ILE 69 HG21 ILE 69 -0.957 -6.853 2.441 581 HG22 ILE 69 HG22 ILE 69 -0.022 -7.039 0.957 582 HG23 ILE 69 HG23 ILE 69 0.176 -8.197 2.275 583 HD11 ILE 69 HD11 ILE 69 -0.244 -9.528 -1.890 584 HD12 ILE 69 HD12 ILE 69 0.335 -8.174 -0.915 585 HD13 ILE 69 HD13 ILE 69 -1.282 -8.127 -1.627 586 H ALA 70 H ALA 70 -4.488 -7.766 2.370 587 HA ALA 70 HA ALA 70 -3.838 -5.981 4.463 588 HB1 ALA 70 HB1 ALA 70 -6.150 -5.215 4.280 589 HB2 ALA 70 HB2 ALA 70 -6.581 -6.656 3.350 590 HB3 ALA 70 HB3 ALA 70 -5.463 -5.470 2.676 591 H GLU 71 H GLU 71 -5.695 -8.972 4.364 592 HA GLU 71 HA GLU 71 -6.828 -8.992 6.948 593 HB2 GLU 71 HB2 GLU 71 -7.627 -10.464 5.172 594 HB3 GLU 71 HB3 GLU 71 -6.048 -11.230 5.012 595 HG2 GLU 71 HG2 GLU 71 -6.356 -12.067 7.406 596 HG3 GLU 71 HG3 GLU 71 -8.019 -11.498 7.299 597 H TYR 72 H TYR 72 -3.793 -10.359 5.653 598 HA TYR 72 HA TYR 72 -2.873 -11.628 7.995 599 HB2 TYR 72 HB2 TYR 72 -1.866 -12.133 5.814 600 HB3 TYR 72 HB3 TYR 72 -1.294 -10.478 5.644 601 HD1 TYR 72 HD1 TYR 72 -0.796 -13.652 7.552 602 HD2 TYR 72 HD2 TYR 72 0.802 -9.786 6.678 603 HE1 TYR 72 HE1 TYR 72 1.322 -14.276 8.640 604 HE2 TYR 72 HE2 TYR 72 2.912 -10.411 7.760 605 HH TYR 72 HH TYR 72 3.704 -13.602 8.588 606 H ALA 73 H ALA 73 -2.059 -8.451 6.617 607 HA ALA 73 HA ALA 73 -0.338 -7.519 8.613 608 HB1 ALA 73 HB1 ALA 73 -0.751 -5.301 7.609 609 HB2 ALA 73 HB2 ALA 73 -2.134 -5.964 6.733 610 HB3 ALA 73 HB3 ALA 73 -0.502 -6.541 6.381 611 H GLN 74 H GLN 74 -3.838 -7.280 8.304 612 HA GLN 74 HA GLN 74 -4.421 -5.536 10.455 613 HB2 GLN 74 HB2 GLN 74 -5.961 -6.149 8.567 614 HB3 GLN 74 HB3 GLN 74 -6.141 -7.754 9.264 615 HG2 GLN 74 HG2 GLN 74 -7.099 -6.655 11.323 616 HG3 GLN 74 HG3 GLN 74 -7.051 -5.118 10.454 617 HE21 GLN 74 HE21 GLN 74 -9.210 -4.742 10.208 618 HE22 GLN 74 HE22 GLN 74 -10.293 -5.789 9.373 619 H LYS 75 H LYS 75 -4.153 -9.028 10.160 620 HA LYS 75 HA LYS 75 -5.091 -9.769 12.744 621 HB2 LYS 75 HB2 LYS 75 -5.077 -11.222 10.690 622 HB3 LYS 75 HB3 LYS 75 -3.323 -11.326 10.795 623 HG2 LYS 75 HG2 LYS 75 -3.496 -12.512 12.937 624 HG3 LYS 75 HG3 LYS 75 -5.253 -12.335 12.925 625 HD2 LYS 75 HD2 LYS 75 -3.614 -13.904 10.891 626 HD3 LYS 75 HD3 LYS 75 -4.548 -14.607 12.211 627 HE2 LYS 75 HE2 LYS 75 -6.632 -13.754 11.206 628 HE3 LYS 75 HE3 LYS 75 -5.710 -13.000 9.902 629 HZ1 LYS 75 HZ1 LYS 75 -5.824 -15.916 10.463 630 HZ2 LYS 75 HZ2 LYS 75 -4.980 -15.188 9.194 631 HZ3 LYS 75 HZ3 LYS 75 -6.668 -15.120 9.236 632 H GLU 76 H GLU 76 -1.922 -8.911 11.417 633 HA GLU 76 HA GLU 76 -0.415 -9.660 13.773 634 HB2 GLU 76 HB2 GLU 76 0.425 -7.838 11.475 635 HB3 GLU 76 HB3 GLU 76 1.488 -8.605 12.648 636 HG2 GLU 76 HG2 GLU 76 -0.118 -9.974 10.480 637 HG3 GLU 76 HG3 GLU 76 1.627 -9.792 10.545 638 H GLY 77 H GLY 77 -2.537 -7.151 13.145 639 HA2 GLY 77 HA2 GLY 77 -3.250 -5.457 14.543 640 HA3 GLY 77 HA3 GLY 77 -1.885 -5.767 15.603 641 H LEU 78 H LEU 78 -1.515 -5.179 12.184 642 HA LEU 78 HA LEU 78 0.126 -2.818 12.789 643 HB2 LEU 78 HB2 LEU 78 0.002 -4.462 10.231 644 HB3 LEU 78 HB3 LEU 78 1.169 -3.196 10.602 645 HG LEU 78 HG LEU 78 0.941 -5.933 11.920 646 HD11 LEU 78 HD11 LEU 78 2.083 -5.950 9.767 647 HD12 LEU 78 HD12 LEU 78 3.202 -6.294 11.082 648 HD13 LEU 78 HD13 LEU 78 3.196 -4.697 10.325 649 HD21 LEU 78 HD21 LEU 78 1.425 -4.312 13.673 650 HD22 LEU 78 HD22 LEU 78 2.765 -3.654 12.734 651 HD23 LEU 78 HD23 LEU 78 2.841 -5.305 13.345 652 H ARG 79 H ARG 79 -0.122 -0.873 11.715 653 HA ARG 79 HA ARG 79 -2.763 -0.082 10.994 654 HB2 ARG 79 HB2 ARG 79 -0.093 1.389 10.723 655 HB3 ARG 79 HB3 ARG 79 -1.674 2.140 10.525 656 HG2 ARG 79 HG2 ARG 79 -2.219 1.662 12.880 657 HG3 ARG 79 HG3 ARG 79 -0.666 0.857 13.090 658 HD2 ARG 79 HD2 ARG 79 0.518 2.972 12.741 659 HD3 ARG 79 HD3 ARG 79 -1.005 3.801 12.391 660 HE ARG 79 HE ARG 79 -1.222 2.617 14.921 661 HH11 ARG 79 HH11 ARG 79 0.639 5.241 13.462 662 HH12 ARG 79 HH12 ARG 79 0.789 6.118 14.949 663 HH21 ARG 79 HH21 ARG 79 -1.038 3.800 16.853 664 HH22 ARG 79 HH22 ARG 79 -0.162 5.301 16.865 665 H VAL 80 H VAL 80 -3.637 -0.784 9.108 666 HA VAL 80 HA VAL 80 -1.958 -1.240 6.733 667 HB VAL 80 HB VAL 80 -4.911 -1.942 7.088 668 HG11 VAL 80 HG11 VAL 80 -4.189 -1.849 4.744 669 HG12 VAL 80 HG12 VAL 80 -4.531 -3.514 5.217 670 HG13 VAL 80 HG13 VAL 80 -2.858 -2.962 5.087 671 HG21 VAL 80 HG21 VAL 80 -2.532 -3.768 7.585 672 HG22 VAL 80 HG22 VAL 80 -4.233 -4.249 7.618 673 HG23 VAL 80 HG23 VAL 80 -3.613 -3.115 8.821 674 H ILE 81 H ILE 81 -1.798 0.413 5.333 675 HA ILE 81 HA ILE 81 -4.044 2.325 4.995 676 HB ILE 81 HB ILE 81 -1.033 2.784 4.678 677 HG12 ILE 81 HG12 ILE 81 -1.548 4.762 6.252 678 HG13 ILE 81 HG13 ILE 81 -3.124 4.034 6.513 679 HG21 ILE 81 HG21 ILE 81 -3.285 4.644 3.823 680 HG22 ILE 81 HG22 ILE 81 -2.106 3.859 2.767 681 HG23 ILE 81 HG23 ILE 81 -1.580 5.094 3.908 682 HD11 ILE 81 HD11 ILE 81 -0.477 2.758 7.168 683 HD12 ILE 81 HD12 ILE 81 -2.073 2.089 7.509 684 HD13 ILE 81 HD13 ILE 81 -1.546 3.568 8.311 685 H VAL 82 H VAL 82 -5.120 1.889 3.152 686 HA VAL 82 HA VAL 82 -3.758 0.534 0.905 687 HB VAL 82 HB VAL 82 -6.746 0.970 1.434 688 HG11 VAL 82 HG11 VAL 82 -5.408 -0.758 -0.677 689 HG12 VAL 82 HG12 VAL 82 -6.299 0.738 -0.967 690 HG13 VAL 82 HG13 VAL 82 -7.142 -0.685 -0.352 691 HG21 VAL 82 HG21 VAL 82 -5.742 -0.531 3.115 692 HG22 VAL 82 HG22 VAL 82 -5.083 -1.551 1.833 693 HG23 VAL 82 HG23 VAL 82 -6.832 -1.423 2.046 694 H ILE 83 H ILE 83 -2.925 1.988 -0.586 695 HA ILE 83 HA ILE 83 -4.403 4.497 -1.156 696 HB ILE 83 HB ILE 83 -1.490 3.797 -1.788 697 HG12 ILE 83 HG12 ILE 83 -2.612 5.631 0.384 698 HG13 ILE 83 HG13 ILE 83 -1.966 4.020 0.665 699 HG21 ILE 83 HG21 ILE 83 -2.403 5.431 -3.397 700 HG22 ILE 83 HG22 ILE 83 -1.233 6.206 -2.329 701 HG23 ILE 83 HG23 ILE 83 -2.960 6.455 -2.067 702 HD11 ILE 83 HD11 ILE 83 -0.417 6.398 -0.341 703 HD12 ILE 83 HD12 ILE 83 0.230 4.773 -0.092 704 HD13 ILE 83 HD13 ILE 83 -0.374 5.700 1.278 705 H ILE 84 H ILE 84 -5.793 4.107 -2.762 706 HA ILE 84 HA ILE 84 -5.161 2.258 -4.955 707 HB ILE 84 HB ILE 84 -7.777 3.724 -4.336 708 HG12 ILE 84 HG12 ILE 84 -7.050 0.822 -3.714 709 HG13 ILE 84 HG13 ILE 84 -7.025 2.117 -2.524 710 HG21 ILE 84 HG21 ILE 84 -7.243 1.381 -6.207 711 HG22 ILE 84 HG22 ILE 84 -7.603 3.036 -6.706 712 HG23 ILE 84 HG23 ILE 84 -8.826 2.082 -5.864 713 HD11 ILE 84 HD11 ILE 84 -9.011 0.811 -2.317 714 HD12 ILE 84 HD12 ILE 84 -9.439 1.102 -4.001 715 HD13 ILE 84 HD13 ILE 84 -9.424 2.439 -2.846 716 H VAL 85 H VAL 85 -3.987 3.213 -6.517 717 HA VAL 85 HA VAL 85 -4.604 5.914 -7.503 718 HB VAL 85 HB VAL 85 -2.363 4.097 -8.512 719 HG11 VAL 85 HG11 VAL 85 -1.275 6.223 -9.140 720 HG12 VAL 85 HG12 VAL 85 -2.645 7.127 -8.492 721 HG13 VAL 85 HG13 VAL 85 -2.868 6.073 -9.890 722 HG21 VAL 85 HG21 VAL 85 -2.187 5.968 -6.120 723 HG22 VAL 85 HG22 VAL 85 -0.821 5.148 -6.882 724 HG23 VAL 85 HG23 VAL 85 -2.081 4.205 -6.082 725 H SER 86 H SER 86 -6.414 5.696 -8.750 726 HA SER 86 HA SER 86 -6.275 4.197 -11.250 727 HB2 SER 86 HB2 SER 86 -8.564 3.851 -9.241 728 HB3 SER 86 HB3 SER 86 -8.596 3.261 -10.904 729 HG SER 86 HG SER 86 -6.610 2.502 -9.031 730 H GLN 87 H GLN 87 -7.083 5.470 -12.856 731 HA GLN 87 HA GLN 87 -8.179 8.047 -12.434 732 HB2 GLN 87 HB2 GLN 87 -8.618 8.104 -14.854 733 HB3 GLN 87 HB3 GLN 87 -7.012 7.463 -14.534 734 HG2 GLN 87 HG2 GLN 87 -7.762 5.196 -14.991 735 HG3 GLN 87 HG3 GLN 87 -9.433 5.733 -15.154 736 HE21 GLN 87 HE21 GLN 87 -7.808 4.310 -17.108 737 HE22 GLN 87 HE22 GLN 87 -7.742 5.313 -18.514 738 H ASP 88 H ASP 88 -9.596 4.885 -12.749 739 HA ASP 88 HA ASP 88 -12.334 5.501 -13.038 740 HB2 ASP 88 HB2 ASP 88 -10.952 3.138 -11.677 741 HB3 ASP 88 HB3 ASP 88 -12.675 3.203 -12.027 742 H GLU 89 H GLU 89 -13.119 7.079 -11.686 743 HA GLU 89 HA GLU 89 -12.385 7.353 -8.939 744 HB2 GLU 89 HB2 GLU 89 -14.532 8.732 -10.577 745 HB3 GLU 89 HB3 GLU 89 -14.196 9.125 -8.890 746 HG2 GLU 89 HG2 GLU 89 -11.779 9.575 -9.630 747 HG3 GLU 89 HG3 GLU 89 -12.382 9.483 -11.283 748 H GLU 90 H GLU 90 -14.935 5.601 -10.522 749 HA GLU 90 HA GLU 90 -16.559 5.202 -8.173 750 HB2 GLU 90 HB2 GLU 90 -16.476 3.495 -10.706 751 HB3 GLU 90 HB3 GLU 90 -17.734 3.480 -9.470 752 HG2 GLU 90 HG2 GLU 90 -18.299 5.834 -10.034 753 HG3 GLU 90 HG3 GLU 90 -17.072 5.811 -11.300 754 H ALA 91 H ALA 91 -13.915 3.427 -9.794 755 HA ALA 91 HA ALA 91 -13.835 1.198 -8.010 756 HB1 ALA 91 HB1 ALA 91 -12.774 1.123 -10.227 757 HB2 ALA 91 HB2 ALA 91 -11.604 0.756 -8.958 758 HB3 ALA 91 HB3 ALA 91 -11.604 2.345 -9.729 759 H LEU 92 H LEU 92 -12.372 4.419 -7.963 760 HA LEU 92 HA LEU 92 -10.745 4.169 -5.693 761 HB2 LEU 92 HB2 LEU 92 -12.304 6.575 -6.714 762 HB3 LEU 92 HB3 LEU 92 -11.170 6.667 -5.380 763 HG LEU 92 HG LEU 92 -10.504 6.041 -8.286 764 HD11 LEU 92 HD11 LEU 92 -9.237 8.142 -8.228 765 HD12 LEU 92 HD12 LEU 92 -9.743 8.419 -6.558 766 HD13 LEU 92 HD13 LEU 92 -10.941 8.417 -7.855 767 HD21 LEU 92 HD21 LEU 92 -8.608 6.127 -5.919 768 HD22 LEU 92 HD22 LEU 92 -8.151 5.967 -7.618 769 HD23 LEU 92 HD23 LEU 92 -9.074 4.689 -6.835 770 H ARG 93 H ARG 93 -14.203 5.111 -5.973 771 HA ARG 93 HA ARG 93 -14.719 5.455 -3.222 772 HB2 ARG 93 HB2 ARG 93 -16.560 4.897 -5.569 773 HB3 ARG 93 HB3 ARG 93 -17.186 5.007 -3.930 774 HG2 ARG 93 HG2 ARG 93 -15.993 7.347 -3.890 775 HG3 ARG 93 HG3 ARG 93 -16.011 7.190 -5.649 776 HD2 ARG 93 HD2 ARG 93 -17.987 8.441 -4.781 777 HD3 ARG 93 HD3 ARG 93 -18.458 6.965 -5.635 778 HE ARG 93 HE ARG 93 -18.259 6.203 -3.009 779 HH11 ARG 93 HH11 ARG 93 -20.223 8.648 -4.648 780 HH12 ARG 93 HH12 ARG 93 -21.501 8.537 -3.478 781 HH21 ARG 93 HH21 ARG 93 -19.916 6.088 -1.522 782 HH22 ARG 93 HH22 ARG 93 -21.329 7.086 -1.708 783 H LYS 94 H LYS 94 -15.154 2.570 -5.287 784 HA LYS 94 HA LYS 94 -16.582 1.000 -3.408 785 HB2 LYS 94 HB2 LYS 94 -14.897 0.158 -5.803 786 HB3 LYS 94 HB3 LYS 94 -15.930 -0.944 -4.893 787 HG2 LYS 94 HG2 LYS 94 -17.915 0.320 -5.539 788 HG3 LYS 94 HG3 LYS 94 -16.914 1.513 -6.376 789 HD2 LYS 94 HD2 LYS 94 -16.091 -0.357 -7.881 790 HD3 LYS 94 HD3 LYS 94 -17.279 -1.419 -7.117 791 HE2 LYS 94 HE2 LYS 94 -19.093 0.075 -7.895 792 HE3 LYS 94 HE3 LYS 94 -17.894 1.121 -8.663 793 HZ1 LYS 94 HZ1 LYS 94 -18.417 -1.723 -9.365 794 HZ2 LYS 94 HZ2 LYS 94 -17.261 -0.731 -10.098 795 HZ3 LYS 94 HZ3 LYS 94 -18.905 -0.372 -10.256 796 H GLY 95 H GLY 95 -13.140 0.979 -4.354 797 HA2 GLY 95 HA2 GLY 95 -12.268 -0.938 -2.451 798 HA3 GLY 95 HA3 GLY 95 -11.262 0.212 -3.307 799 H TYR 96 H TYR 96 -12.633 2.583 -2.313 800 HA TYR 96 HA TYR 96 -11.103 3.092 0.003 801 HB2 TYR 96 HB2 TYR 96 -11.749 4.910 -1.486 802 HB3 TYR 96 HB3 TYR 96 -13.453 4.612 -1.192 803 HD1 TYR 96 HD2 TYR 96 -10.306 5.785 0.455 804 HD2 TYR 96 HD1 TYR 96 -14.575 5.757 0.617 805 HE1 TYR 96 HE2 TYR 96 -10.253 7.460 2.239 806 HE2 TYR 96 HE1 TYR 96 -14.519 7.434 2.413 807 HH TYR 96 HH TYR 96 -11.661 9.130 3.273 808 H GLU 97 H GLU 97 -14.601 2.755 -0.420 809 HA GLU 97 HA GLU 97 -15.170 3.100 2.347 810 HB2 GLU 97 HB2 GLU 97 -16.987 2.151 0.088 811 HB3 GLU 97 HB3 GLU 97 -17.514 2.649 1.697 812 HG2 GLU 97 HG2 GLU 97 -16.720 4.931 1.293 813 HG3 GLU 97 HG3 GLU 97 -16.082 4.453 -0.275 814 H ASP 98 H ASP 98 -14.950 0.279 0.163 815 HA ASP 98 HA ASP 98 -16.002 -1.677 1.898 816 HB2 ASP 98 HB2 ASP 98 -15.689 -2.198 -0.463 817 HB3 ASP 98 HB3 ASP 98 -13.951 -1.955 -0.336 818 H LYS 99 H LYS 99 -12.575 -0.755 1.323 819 HA LYS 99 HA LYS 99 -11.521 -2.561 3.273 820 HB2 LYS 99 HB2 LYS 99 -10.356 -0.311 1.616 821 HB3 LYS 99 HB3 LYS 99 -9.422 -0.914 2.977 822 HG2 LYS 99 HG2 LYS 99 -8.697 -2.014 0.935 823 HG3 LYS 99 HG3 LYS 99 -9.466 -3.195 2.002 824 HD2 LYS 99 HD2 LYS 99 -11.583 -2.928 0.644 825 HD3 LYS 99 HD3 LYS 99 -10.681 -1.898 -0.472 826 HE2 LYS 99 HE2 LYS 99 -9.213 -3.758 -1.065 827 HE3 LYS 99 HE3 LYS 99 -9.980 -4.789 0.152 828 HZ1 LYS 99 HZ1 LYS 99 -12.097 -4.498 -1.096 829 HZ2 LYS 99 HZ2 LYS 99 -10.900 -5.318 -1.962 830 HZ3 LYS 99 HZ3 LYS 99 -11.230 -3.697 -2.314 831 H LYS 100 H LYS 100 -12.609 0.777 3.406 832 HA LYS 100 HA LYS 100 -11.415 1.523 5.871 833 HB2 LYS 100 HB2 LYS 100 -12.282 3.113 4.138 834 HB3 LYS 100 HB3 LYS 100 -13.926 2.667 4.580 835 HG2 LYS 100 HG2 LYS 100 -13.612 3.599 6.820 836 HG3 LYS 100 HG3 LYS 100 -11.915 3.943 6.465 837 HD2 LYS 100 HD2 LYS 100 -12.659 5.522 4.654 838 HD3 LYS 100 HD3 LYS 100 -14.337 5.225 5.123 839 HE2 LYS 100 HE2 LYS 100 -13.933 6.187 7.330 840 HE3 LYS 100 HE3 LYS 100 -12.211 6.343 6.992 841 HZ1 LYS 100 HZ1 LYS 100 -12.722 7.956 5.278 842 HZ2 LYS 100 HZ2 LYS 100 -13.375 8.446 6.758 843 HZ3 LYS 100 HZ3 LYS 100 -14.377 7.795 5.570 844 H LYS 101 H LYS 101 -14.397 -0.189 5.107 845 HA LYS 101 HA LYS 101 -15.720 -0.068 7.618 846 HB2 LYS 101 HB2 LYS 101 -15.779 -2.272 5.511 847 HB3 LYS 101 HB3 LYS 101 -16.915 -2.139 6.853 848 HG2 LYS 101 HG2 LYS 101 -17.808 -0.057 5.962 849 HG3 LYS 101 HG3 LYS 101 -16.580 -0.036 4.703 850 HD2 LYS 101 HD2 LYS 101 -18.660 -0.795 3.726 851 HD3 LYS 101 HD3 LYS 101 -17.534 -2.152 3.770 852 HE2 LYS 101 HE2 LYS 101 -19.774 -2.877 4.421 853 HE3 LYS 101 HE3 LYS 101 -18.687 -3.008 5.806 854 HZ1 LYS 101 HZ1 LYS 101 -20.634 -0.817 5.303 855 HZ2 LYS 101 HZ2 LYS 101 -19.578 -0.893 6.619 856 HZ3 LYS 101 HZ3 LYS 101 -20.794 -2.049 6.449 857 H LYS 102 H LYS 102 -13.066 -1.984 6.461 858 HA LYS 102 HA LYS 102 -13.077 -3.949 8.606 859 HB2 LYS 102 HB2 LYS 102 -11.146 -3.378 6.316 860 HB3 LYS 102 HB3 LYS 102 -10.834 -4.615 7.522 861 HG2 LYS 102 HG2 LYS 102 -11.690 -5.516 5.378 862 HG3 LYS 102 HG3 LYS 102 -12.705 -5.944 6.756 863 HD2 LYS 102 HD2 LYS 102 -14.401 -4.402 6.110 864 HD3 LYS 102 HD3 LYS 102 -13.343 -3.588 4.960 865 HE2 LYS 102 HE2 LYS 102 -14.191 -6.472 4.621 866 HE3 LYS 102 HE3 LYS 102 -15.125 -5.126 3.985 867 HZ1 LYS 102 HZ1 LYS 102 -12.304 -5.711 3.288 868 HZ2 LYS 102 HZ2 LYS 102 -13.268 -4.490 2.626 869 HZ3 LYS 102 HZ3 LYS 102 -13.646 -6.108 2.341 870 H GLY 103 H GLY 103 -11.899 -0.766 8.141 871 HA2 GLY 103 HA2 GLY 103 -10.899 0.562 9.823 872 HA3 GLY 103 HA3 GLY 103 -10.220 -0.879 10.565 873 H TYR 104 H TYR 104 -9.931 -0.648 7.146 874 HA TYR 104 HA TYR 104 -7.058 -0.157 7.275 875 HB2 TYR 104 HB2 TYR 104 -8.840 -0.635 4.839 876 HB3 TYR 104 HB3 TYR 104 -7.079 -0.685 4.864 877 HD1 TYR 104 HD2 TYR 104 -6.750 -2.334 7.440 878 HD2 TYR 104 HD1 TYR 104 -9.312 -2.884 4.058 879 HE1 TYR 104 HE2 TYR 104 -6.785 -4.751 7.841 880 HE2 TYR 104 HE1 TYR 104 -9.322 -5.289 4.456 881 HH TYR 104 HH TYR 104 -8.124 -6.713 7.316 882 H ASP 105 H ASP 105 -6.223 1.875 7.050 883 HA ASP 105 HA ASP 105 -7.926 4.155 6.534 884 HB2 ASP 105 HB2 ASP 105 -4.894 4.042 6.884 885 HB3 ASP 105 HB3 ASP 105 -5.888 5.501 6.919 886 H VAL 106 H VAL 106 -8.601 4.404 4.455 887 HA VAL 106 HA VAL 106 -6.764 3.671 2.269 888 HB VAL 106 HB VAL 106 -9.763 4.190 1.998 889 HG11 VAL 106 HG11 VAL 106 -7.773 2.714 0.214 890 HG12 VAL 106 HG12 VAL 106 -8.475 4.300 -0.110 891 HG13 VAL 106 HG13 VAL 106 -9.502 2.868 -0.096 892 HG21 VAL 106 HG21 VAL 106 -8.367 1.535 2.493 893 HG22 VAL 106 HG22 VAL 106 -10.074 1.734 2.091 894 HG23 VAL 106 HG23 VAL 106 -9.450 2.369 3.612 895 H TYR 107 H TYR 107 -6.079 5.104 0.822 896 HA TYR 107 HA TYR 107 -7.175 7.852 0.739 897 HB2 TYR 107 HB2 TYR 107 -4.313 6.853 0.328 898 HB3 TYR 107 HB3 TYR 107 -4.843 8.485 -0.062 899 HD1 TYR 107 HD2 TYR 107 -4.053 6.162 2.705 900 HD2 TYR 107 HD1 TYR 107 -5.324 10.118 1.719 901 HE1 TYR 107 HE2 TYR 107 -3.595 6.885 5.011 902 HE2 TYR 107 HE1 TYR 107 -4.870 10.840 4.019 903 HH TYR 107 HH TYR 107 -4.718 9.802 6.279 904 H THR 108 H THR 108 -7.743 8.565 -1.286 905 HA THR 108 HA THR 108 -7.570 6.655 -3.542 906 HB THR 108 HB THR 108 -9.565 7.915 -4.443 907 HG1 THR 108 HG1 THR 108 -9.925 9.057 -1.882 908 HG21 THR 108 HG21 THR 108 -9.920 5.828 -3.167 909 HG22 THR 108 HG22 THR 108 -11.223 6.977 -2.869 910 HG23 THR 108 HG23 THR 108 -9.961 6.752 -1.657 911 H SER 109 H SER 109 -6.937 7.389 -5.557 912 HA SER 109 HA SER 109 -6.066 10.121 -6.031 913 HB2 SER 109 HB2 SER 109 -3.674 9.321 -6.546 914 HB3 SER 109 HB3 SER 109 -4.100 9.386 -4.841 915 HG SER 109 HG SER 109 -4.731 7.017 -5.373 916 H ARG 110 H ARG 110 -5.957 10.543 -8.231 917 HA ARG 110 HA ARG 110 -6.770 8.363 -10.028 918 HB2 ARG 110 HB2 ARG 110 -6.556 11.355 -10.633 919 HB3 ARG 110 HB3 ARG 110 -7.135 10.118 -11.745 920 HG2 ARG 110 HG2 ARG 110 -9.085 11.193 -10.911 921 HG3 ARG 110 HG3 ARG 110 -9.011 9.637 -10.087 922 HD2 ARG 110 HD2 ARG 110 -8.098 10.726 -8.078 923 HD3 ARG 110 HD3 ARG 110 -8.086 12.285 -8.908 924 HE ARG 110 HE ARG 110 -10.700 11.113 -8.818 925 HH11 ARG 110 HH11 ARG 110 -8.371 12.952 -6.915 926 HH12 ARG 110 HH12 ARG 110 -9.594 13.664 -5.904 927 HH21 ARG 110 HH21 ARG 110 -12.276 12.081 -7.468 928 HH22 ARG 110 HH22 ARG 110 -11.776 13.169 -6.219 929 H ASN 111 H ASN 111 -3.983 10.375 -9.253 930 HA ASN 111 HA ASN 111 -2.419 9.089 -11.417 931 HB2 ASN 111 HB2 ASN 111 -1.536 11.168 -12.259 932 HB3 ASN 111 HB3 ASN 111 -3.292 11.313 -12.254 933 HD21 ASN 111 HD21 ASN 111 -4.256 12.689 -10.699 934 HD22 ASN 111 HD22 ASN 111 -3.351 13.918 -9.895 935 H GLU 112 H GLU 112 -0.033 10.058 -11.221 936 HA GLU 112 HA GLU 112 1.036 8.795 -8.937 937 HB2 GLU 112 HB2 GLU 112 2.125 8.739 -11.126 938 HB3 GLU 112 HB3 GLU 112 2.375 10.472 -11.095 939 HG2 GLU 112 HG2 GLU 112 3.622 9.014 -8.820 940 HG3 GLU 112 HG3 GLU 112 4.264 8.580 -10.400 941 H ASP 113 H ASP 113 0.610 12.253 -9.723 942 HA ASP 113 HA ASP 113 2.208 13.334 -7.665 943 HB2 ASP 113 HB2 ASP 113 -0.295 14.511 -8.951 944 HB3 ASP 113 HB3 ASP 113 0.747 15.403 -7.844 945 H GLU 114 H GLU 114 -1.292 12.714 -7.745 946 HA GLU 114 HA GLU 114 -1.970 13.405 -5.121 947 HB2 GLU 114 HB2 GLU 114 -3.217 11.354 -6.982 948 HB3 GLU 114 HB3 GLU 114 -3.957 11.895 -5.480 949 HG2 GLU 114 HG2 GLU 114 -4.073 14.194 -6.371 950 HG3 GLU 114 HG3 GLU 114 -3.361 13.635 -7.889 951 H ALA 115 H ALA 115 -1.040 10.312 -6.520 952 HA ALA 115 HA ALA 115 -1.359 8.584 -4.358 953 HB1 ALA 115 HB1 ALA 115 0.618 8.438 -6.658 954 HB2 ALA 115 HB2 ALA 115 -1.052 7.877 -6.692 955 HB3 ALA 115 HB3 ALA 115 0.113 7.083 -5.632 956 H LYS 116 H LYS 116 1.436 10.459 -5.421 957 HA LYS 116 HA LYS 116 3.412 9.430 -3.690 958 HB2 LYS 116 HB2 LYS 116 3.926 10.603 -5.769 959 HB3 LYS 116 HB3 LYS 116 3.173 12.080 -5.181 960 HG2 LYS 116 HG2 LYS 116 4.939 12.365 -3.518 961 HG3 LYS 116 HG3 LYS 116 5.674 10.828 -3.984 962 HD2 LYS 116 HD2 LYS 116 5.384 13.277 -5.775 963 HD3 LYS 116 HD3 LYS 116 6.871 12.756 -4.984 964 HE2 LYS 116 HE2 LYS 116 6.784 10.629 -6.291 965 HE3 LYS 116 HE3 LYS 116 5.341 11.223 -7.116 966 HZ1 LYS 116 HZ1 LYS 116 6.685 13.101 -7.933 967 HZ2 LYS 116 HZ2 LYS 116 7.249 11.604 -8.475 968 HZ3 LYS 116 HZ3 LYS 116 8.063 12.412 -7.229 969 H LYS 117 H LYS 117 1.138 12.109 -3.415 970 HA LYS 117 HA LYS 117 2.188 13.348 -1.077 971 HB2 LYS 117 HB2 LYS 117 -0.644 13.356 -2.217 972 HB3 LYS 117 HB3 LYS 117 -0.056 14.457 -0.969 973 HG2 LYS 117 HG2 LYS 117 1.544 15.440 -2.499 974 HG3 LYS 117 HG3 LYS 117 1.148 14.257 -3.744 975 HD2 LYS 117 HD2 LYS 117 -1.149 15.196 -3.884 976 HD3 LYS 117 HD3 LYS 117 -0.724 16.395 -2.656 977 HE2 LYS 117 HE2 LYS 117 1.024 17.298 -4.168 978 HE3 LYS 117 HE3 LYS 117 0.561 16.116 -5.397 979 HZ1 LYS 117 HZ1 LYS 117 -0.463 18.215 -5.858 980 HZ2 LYS 117 HZ2 LYS 117 -1.138 18.300 -4.317 981 HZ3 LYS 117 HZ3 LYS 117 -1.673 17.128 -5.405 982 H LYS 118 H LYS 118 -0.489 11.067 -1.599 983 HA LYS 118 HA LYS 118 -1.206 10.712 1.124 984 HB2 LYS 118 HB2 LYS 118 -1.718 8.783 -1.187 985 HB3 LYS 118 HB3 LYS 118 -2.617 8.877 0.324 986 HG2 LYS 118 HG2 LYS 118 -2.580 10.904 -1.925 987 HG3 LYS 118 HG3 LYS 118 -3.943 9.912 -1.405 988 HD2 LYS 118 HD2 LYS 118 -4.128 11.159 0.679 989 HD3 LYS 118 HD3 LYS 118 -2.631 12.029 0.349 990 HE2 LYS 118 HE2 LYS 118 -3.768 13.025 -1.677 991 HE3 LYS 118 HE3 LYS 118 -5.278 12.308 -1.101 992 HZ1 LYS 118 HZ1 LYS 118 -4.984 14.631 -0.411 993 HZ2 LYS 118 HZ2 LYS 118 -3.601 14.200 0.461 994 HZ3 LYS 118 HZ3 LYS 118 -5.112 13.590 0.909 995 H LEU 119 H LEU 119 1.175 9.269 -0.910 996 HA LEU 119 HA LEU 119 1.670 6.859 0.501 997 HB2 LEU 119 HB2 LEU 119 2.226 7.251 -1.881 998 HB3 LEU 119 HB3 LEU 119 3.435 8.430 -1.404 999 HG LEU 119 HG LEU 119 4.820 6.676 -0.396 1000 HD11 LEU 119 HD11 LEU 119 2.620 4.731 -1.171 1001 HD12 LEU 119 HD12 LEU 119 3.103 5.173 0.469 1002 HD13 LEU 119 HD13 LEU 119 4.219 4.289 -0.566 1003 HD21 LEU 119 HD21 LEU 119 3.866 5.960 -3.184 1004 HD22 LEU 119 HD22 LEU 119 5.383 5.433 -2.452 1005 HD23 LEU 119 HD23 LEU 119 5.111 7.144 -2.773 1006 H LYS 120 H LYS 120 3.255 10.065 0.493 1007 HA LYS 120 HA LYS 120 5.144 9.371 2.535 1008 HB2 LYS 120 HB2 LYS 120 4.290 12.069 1.419 1009 HB3 LYS 120 HB3 LYS 120 5.514 11.893 2.679 1010 HG2 LYS 120 HG2 LYS 120 6.796 10.375 1.114 1011 HG3 LYS 120 HG3 LYS 120 5.644 10.808 -0.154 1012 HD2 LYS 120 HD2 LYS 120 6.324 13.161 -0.017 1013 HD3 LYS 120 HD3 LYS 120 7.379 12.808 1.357 1014 HE2 LYS 120 HE2 LYS 120 8.758 11.356 -0.084 1015 HE3 LYS 120 HE3 LYS 120 7.708 11.714 -1.455 1016 HZ1 LYS 120 HZ1 LYS 120 8.353 14.072 -1.216 1017 HZ2 LYS 120 HZ2 LYS 120 9.657 13.056 -1.565 1018 HZ3 LYS 120 HZ3 LYS 120 9.438 13.637 0.005 1019 H GLU 121 H GLU 121 1.935 10.904 2.543 1020 HA GLU 121 HA GLU 121 1.677 11.547 5.259 1021 HB2 GLU 121 HB2 GLU 121 -0.411 10.553 3.274 1022 HB3 GLU 121 HB3 GLU 121 -0.816 11.145 4.882 1023 HG2 GLU 121 HG2 GLU 121 0.003 13.359 4.344 1024 HG3 GLU 121 HG3 GLU 121 0.643 12.789 2.804 1025 H ALA 122 H ALA 122 1.409 8.461 3.612 1026 HA ALA 122 HA ALA 122 0.537 6.902 5.861 1027 HB1 ALA 122 HB1 ALA 122 0.925 4.986 4.372 1028 HB2 ALA 122 HB2 ALA 122 1.765 6.031 3.221 1029 HB3 ALA 122 HB3 ALA 122 0.043 6.264 3.535 1030 H LEU 123 H LEU 123 3.699 7.613 4.366 1031 HA LEU 123 HA LEU 123 5.287 5.829 5.930 1032 HB2 LEU 123 HB2 LEU 123 6.021 8.368 4.414 1033 HB3 LEU 123 HB3 LEU 123 7.211 7.306 5.148 1034 HG LEU 123 HG LEU 123 5.293 6.438 2.940 1035 HD11 LEU 123 HD11 LEU 123 8.216 7.220 2.678 1036 HD12 LEU 123 HD12 LEU 123 6.833 8.143 2.080 1037 HD13 LEU 123 HD13 LEU 123 7.192 6.558 1.397 1038 HD21 LEU 123 HD21 LEU 123 7.731 5.046 4.095 1039 HD22 LEU 123 HD22 LEU 123 6.762 4.481 2.730 1040 HD23 LEU 123 HD23 LEU 123 6.044 4.577 4.335 1041 H GLU 124 H GLU 124 4.110 9.092 6.429 1042 HA GLU 124 HA GLU 124 5.769 9.872 8.604 1043 HB2 GLU 124 HB2 GLU 124 3.068 10.907 7.653 1044 HB3 GLU 124 HB3 GLU 124 3.969 11.647 8.976 1045 HG2 GLU 124 HG2 GLU 124 5.842 12.126 7.462 1046 HG3 GLU 124 HG3 GLU 124 4.992 11.348 6.136 1047 H LYS 125 H LYS 125 2.920 7.891 8.430 1048 HA LYS 125 HA LYS 125 1.954 8.149 11.098 1049 HB2 LYS 125 HB2 LYS 125 1.639 5.810 9.166 1050 HB3 LYS 125 HB3 LYS 125 0.662 6.091 10.611 1051 HG2 LYS 125 HG2 LYS 125 -0.202 8.180 9.630 1052 HG3 LYS 125 HG3 LYS 125 0.781 7.909 8.186 1053 HD2 LYS 125 HD2 LYS 125 -0.455 5.798 7.758 1054 HD3 LYS 125 HD3 LYS 125 -1.457 6.101 9.183 1055 HE2 LYS 125 HE2 LYS 125 -1.304 7.871 6.721 1056 HE3 LYS 125 HE3 LYS 125 -2.598 6.732 7.088 1057 HZ1 LYS 125 HZ1 LYS 125 -3.175 8.007 9.014 1058 HZ2 LYS 125 HZ2 LYS 125 -3.140 9.032 7.673 1059 HZ3 LYS 125 HZ3 LYS 125 -1.872 9.055 8.786 1060 H SER 126 H SER 126 4.343 6.012 9.612 1061 HA SER 126 HA SER 126 4.825 4.457 12.025 1062 HB2 SER 126 HB2 SER 126 6.707 3.492 10.593 1063 HB3 SER 126 HB3 SER 126 5.098 3.330 9.897 1064 HG SER 126 HG SER 126 6.664 5.569 9.242 1065 H GLY 127 H GLY 127 5.891 7.410 10.685 1066 HA2 GLY 127 HA2 GLY 127 7.330 8.784 12.213 1067 HA3 GLY 127 HA3 GLY 127 8.450 7.420 12.187 1068 H SER 128 H SER 128 9.993 7.508 10.690 1069 HA SER 128 HA SER 128 11.201 7.875 8.829 1070 HB2 SER 128 HB2 SER 128 9.243 6.453 7.977 1071 HB3 SER 128 HB3 SER 128 8.545 7.943 7.349 1072 HG SER 128 HG SER 128 10.733 8.142 6.276 1073 H LEU 129 H LEU 129 10.394 10.241 10.318 1074 HA LEU 129 HA LEU 129 9.815 12.375 8.401 1075 HB2 LEU 129 HB2 LEU 129 10.265 12.447 11.418 1076 HB3 LEU 129 HB3 LEU 129 9.784 13.832 10.446 1077 HG LEU 129 HG LEU 129 8.119 11.314 10.853 1078 HD11 LEU 129 HD11 LEU 129 7.708 14.080 12.032 1079 HD12 LEU 129 HD12 LEU 129 8.245 12.642 12.906 1080 HD13 LEU 129 HD13 LEU 129 6.630 12.691 12.209 1081 HD21 LEU 129 HD21 LEU 129 7.695 12.297 8.667 1082 HD22 LEU 129 HD22 LEU 129 7.422 13.883 9.395 1083 HD23 LEU 129 HD23 LEU 129 6.313 12.549 9.734 1084 H GLU 130 H GLU 130 11.113 14.382 8.517 1085 HA GLU 130 HA GLU 130 14.000 14.015 9.094 1086 HB2 GLU 130 HB2 GLU 130 12.723 15.585 6.793 1087 HB3 GLU 130 HB3 GLU 130 14.429 15.674 7.225 1088 HG2 GLU 130 HG2 GLU 130 14.659 13.251 6.728 1089 HG3 GLU 130 HG3 GLU 130 12.964 13.205 6.252 1090 H HIS 131 H HIS 131 13.964 14.972 11.100 1091 HA HIS 131 HA HIS 131 12.678 17.419 11.795 1092 HB2 HIS 131 HB2 HIS 131 13.379 15.700 13.477 1093 HB3 HIS 131 HB3 HIS 131 15.066 15.988 13.089 1094 HD2 HIS 131 HD2 HIS 131 16.118 18.451 14.082 1095 HE1 HIS 131 HE1 HIS 131 12.917 18.993 16.790 1096 HE2 HIS 131 HE2 HIS 131 15.323 19.581 16.274 1097 H HIS 132 H HIS 132 13.200 18.946 10.204 1098 HA HIS 132 HA HIS 132 15.823 19.537 9.270 1099 HB2 HIS 132 HB2 HIS 132 13.245 21.174 9.158 1100 HB3 HIS 132 HB3 HIS 132 14.725 21.603 8.302 1101 HD2 HIS 132 HD2 HIS 132 15.542 19.508 6.402 1102 HE1 HIS 132 HE1 HIS 132 11.510 18.408 5.792 1103 HE2 HIS 132 HE2 HIS 132 13.892 18.094 4.996 1104 H HIS 133 H HIS 133 17.006 21.533 9.599 1105 HA HIS 133 HA HIS 133 17.439 22.094 12.368 1106 HB2 HIS 133 HB2 HIS 133 19.293 22.031 10.736 1107 HB3 HIS 133 HB3 HIS 133 18.631 23.421 9.888 1108 HD1 HIS 133 HD1 HIS 133 19.570 25.631 10.579 1109 HD2 HIS 133 HD2 HIS 133 20.103 22.735 13.516 1110 HE1 HIS 133 HE1 HIS 133 20.926 26.732 12.384 1111 HE2 HIS 133 HE2 HIS 133 21.139 24.997 14.185 1112 H HIS 134 H HIS 134 15.457 23.558 9.947 1113 HA HIS 134 HA HIS 134 15.074 26.025 11.500 1114 HB2 HIS 134 HB2 HIS 134 14.672 25.266 8.652 1115 HB3 HIS 134 HB3 HIS 134 13.349 26.221 9.298 1116 HD1 HIS 134 HD1 HIS 134 13.800 28.681 9.848 1117 HD2 HIS 134 HD2 HIS 134 17.158 26.648 8.493 1118 HE1 HIS 134 HE1 HIS 134 15.535 30.442 9.438 1119 HE2 HIS 134 HE2 HIS 134 17.577 29.177 8.716 1120 H HIS 135 H HIS 135 13.625 26.040 13.038 1121 HA HIS 135 HA HIS 135 10.907 24.960 12.514 1122 HB2 HIS 135 HB2 HIS 135 12.253 25.119 15.258 1123 HB3 HIS 135 HB3 HIS 135 10.628 24.522 14.931 1124 HD1 HIS 135 HD1 HIS 135 10.485 22.216 13.583 1125 HD2 HIS 135 HD2 HIS 135 14.261 23.240 14.990 1126 HE1 HIS 135 HE1 HIS 135 11.873 20.136 13.375 1127 HE2 HIS 135 HE2 HIS 135 14.195 20.851 14.023 1128 H HIS 136 H HIS 136 12.716 27.626 12.616 1129 HA HIS 136 HA HIS 136 10.471 29.392 13.333 1130 HB2 HIS 136 HB2 HIS 136 13.374 29.658 14.234 1131 HB3 HIS 136 HB3 HIS 136 12.317 31.062 14.139 1132 HD1 HIS 136 HD1 HIS 136 13.395 28.529 16.464 1133 HD2 HIS 136 HD2 HIS 136 9.901 30.686 15.837 1134 HE1 HIS 136 HE1 HIS 136 12.099 28.357 18.609 1135 HE2 HIS 136 HE2 HIS 136 10.126 29.878 18.270 Start of MODEL 19 1 H1 MET 1 H1 MET 1 6.739 -2.488 15.852 2 H2 MET 1 H2 MET 1 5.237 -3.217 15.581 3 H3 MET 1 H3 MET 1 5.511 -2.350 17.004 4 HA MET 1 HA MET 1 4.159 -1.098 15.453 5 HB2 MET 1 HB2 MET 1 6.963 0.018 15.878 6 HB3 MET 1 HB3 MET 1 5.572 0.983 15.410 7 HG2 MET 1 HG2 MET 1 4.481 0.450 17.545 8 HG3 MET 1 HG3 MET 1 5.882 -0.525 18.011 9 HE1 MET 1 HE1 MET 1 6.231 0.913 20.296 10 HE2 MET 1 HE2 MET 1 4.781 1.829 19.876 11 HE3 MET 1 HE3 MET 1 6.267 2.675 20.303 12 H GLY 2 H GLY 2 4.023 0.053 13.440 13 HA2 GLY 2 HA2 GLY 2 5.617 0.497 11.366 14 HA3 GLY 2 HA3 GLY 2 5.398 -1.244 11.200 15 H VAL 3 H VAL 3 4.587 0.201 9.118 16 HA VAL 3 HA VAL 3 1.633 0.019 9.175 17 HB VAL 3 HB VAL 3 3.217 2.367 7.993 18 HG11 VAL 3 HG11 VAL 3 0.257 1.759 7.638 19 HG12 VAL 3 HG12 VAL 3 1.490 1.738 6.377 20 HG13 VAL 3 HG13 VAL 3 1.057 3.257 7.156 21 HG21 VAL 3 HG21 VAL 3 2.735 2.601 10.407 22 HG22 VAL 3 HG22 VAL 3 1.014 2.377 10.091 23 HG23 VAL 3 HG23 VAL 3 1.850 3.796 9.456 24 H VAL 4 H VAL 4 0.984 -1.343 7.571 25 HA VAL 4 HA VAL 4 2.774 -1.912 5.300 26 HB VAL 4 HB VAL 4 0.172 -3.302 6.107 27 HG11 VAL 4 HG11 VAL 4 0.878 -5.101 4.558 28 HG12 VAL 4 HG12 VAL 4 2.270 -4.134 4.065 29 HG13 VAL 4 HG13 VAL 4 0.635 -3.572 3.709 30 HG21 VAL 4 HG21 VAL 4 1.906 -3.600 7.818 31 HG22 VAL 4 HG22 VAL 4 3.045 -4.162 6.593 32 HG23 VAL 4 HG23 VAL 4 1.609 -5.114 6.964 33 H ILE 5 H ILE 5 2.525 -0.653 3.629 34 HA ILE 5 HA ILE 5 0.037 0.773 3.011 35 HB ILE 5 HB ILE 5 2.827 1.163 1.812 36 HG12 ILE 5 HG12 ILE 5 1.642 2.696 4.173 37 HG13 ILE 5 HG13 ILE 5 2.880 1.456 4.310 38 HG21 ILE 5 HG21 ILE 5 0.444 3.047 1.890 39 HG22 ILE 5 HG22 ILE 5 0.986 2.126 0.487 40 HG23 ILE 5 HG23 ILE 5 2.015 3.390 1.162 41 HD11 ILE 5 HD11 ILE 5 4.417 2.844 3.015 42 HD12 ILE 5 HD12 ILE 5 3.834 3.662 4.461 43 HD13 ILE 5 HD13 ILE 5 3.177 4.096 2.883 44 H LEU 6 H LEU 6 -1.214 -0.541 1.690 45 HA LEU 6 HA LEU 6 -0.009 -2.168 -0.446 46 HB2 LEU 6 HB2 LEU 6 -2.912 -1.971 0.452 47 HB3 LEU 6 HB3 LEU 6 -2.232 -3.209 -0.581 48 HG LEU 6 HG LEU 6 -1.519 -2.815 2.351 49 HD11 LEU 6 HD11 LEU 6 -3.362 -4.873 1.105 50 HD12 LEU 6 HD12 LEU 6 -3.836 -3.526 2.148 51 HD13 LEU 6 HD13 LEU 6 -2.841 -4.828 2.793 52 HD21 LEU 6 HD21 LEU 6 -0.812 -5.056 0.443 53 HD22 LEU 6 HD22 LEU 6 -0.435 -4.995 2.168 54 HD23 LEU 6 HD23 LEU 6 0.288 -3.825 1.070 55 H VAL 7 H VAL 7 0.466 -0.765 -2.111 56 HA VAL 7 HA VAL 7 -1.491 1.253 -2.945 57 HB VAL 7 HB VAL 7 1.329 0.743 -4.023 58 HG11 VAL 7 HG11 VAL 7 1.126 2.981 -5.031 59 HG12 VAL 7 HG12 VAL 7 -0.528 3.121 -4.432 60 HG13 VAL 7 HG13 VAL 7 -0.126 1.902 -5.645 61 HG21 VAL 7 HG21 VAL 7 0.385 2.814 -1.999 62 HG22 VAL 7 HG22 VAL 7 2.010 2.707 -2.681 63 HG23 VAL 7 HG23 VAL 7 1.400 1.410 -1.653 64 H LEU 8 H LEU 8 -3.078 0.330 -4.037 65 HA LEU 8 HA LEU 8 -2.700 -1.711 -6.086 66 HB2 LEU 8 HB2 LEU 8 -5.150 -0.383 -4.870 67 HB3 LEU 8 HB3 LEU 8 -5.261 -1.435 -6.271 68 HG LEU 8 HG LEU 8 -4.348 -3.328 -4.909 69 HD11 LEU 8 HD11 LEU 8 -4.561 -1.455 -2.543 70 HD12 LEU 8 HD12 LEU 8 -3.071 -2.101 -3.232 71 HD13 LEU 8 HD13 LEU 8 -4.231 -3.188 -2.476 72 HD21 LEU 8 HD21 LEU 8 -6.386 -3.723 -3.607 73 HD22 LEU 8 HD22 LEU 8 -6.751 -3.066 -5.198 74 HD23 LEU 8 HD23 LEU 8 -6.836 -2.024 -3.774 75 H THR 9 H THR 9 -1.909 -0.896 -7.958 76 HA THR 9 HA THR 9 -2.896 1.722 -8.938 77 HB THR 9 HB THR 9 -0.867 1.681 -10.427 78 HG1 THR 9 HG1 THR 9 0.534 0.058 -10.369 79 HG21 THR 9 HG21 THR 9 0.809 2.178 -8.692 80 HG22 THR 9 HG22 THR 9 -0.217 1.420 -7.471 81 HG23 THR 9 HG23 THR 9 -0.750 2.894 -8.283 82 H GLY 10 H GLY 10 -3.903 1.881 -10.845 83 HA2 GLY 10 HA2 GLY 10 -4.656 -0.436 -12.424 84 HA3 GLY 10 HA3 GLY 10 -5.103 1.241 -12.709 85 H ASP 11 H ASP 11 -1.869 1.311 -12.257 86 HA ASP 11 HA ASP 11 -1.001 0.589 -14.942 87 HB2 ASP 11 HB2 ASP 11 -1.822 2.908 -15.193 88 HB3 ASP 11 HB3 ASP 11 -0.815 3.435 -13.850 89 H GLU 12 H GLU 12 1.112 0.035 -15.016 90 HA GLU 12 HA GLU 12 2.421 -0.668 -12.565 91 HB2 GLU 12 HB2 GLU 12 2.390 -2.087 -14.603 92 HB3 GLU 12 HB3 GLU 12 3.343 -0.886 -15.461 93 HG2 GLU 12 HG2 GLU 12 5.227 -1.285 -13.910 94 HG3 GLU 12 HG3 GLU 12 4.269 -2.499 -13.060 95 H ARG 13 H ARG 13 2.929 1.803 -15.040 96 HA ARG 13 HA ARG 13 5.636 2.450 -14.430 97 HB2 ARG 13 HB2 ARG 13 4.274 2.841 -16.601 98 HB3 ARG 13 HB3 ARG 13 3.634 4.271 -15.823 99 HG2 ARG 13 HG2 ARG 13 6.596 3.827 -16.320 100 HG3 ARG 13 HG3 ARG 13 5.527 4.612 -17.472 101 HD2 ARG 13 HD2 ARG 13 5.019 6.165 -15.310 102 HD3 ARG 13 HD3 ARG 13 6.666 5.664 -14.909 103 HE ARG 13 HE ARG 13 5.893 7.002 -17.440 104 HH11 ARG 13 HH11 ARG 13 8.257 6.598 -14.842 105 HH12 ARG 13 HH12 ARG 13 9.350 7.761 -15.527 106 HH21 ARG 13 HH21 ARG 13 7.331 8.481 -18.300 107 HH22 ARG 13 HH22 ARG 13 8.826 8.827 -17.488 108 H ILE 14 H ILE 14 2.503 3.851 -13.458 109 HA ILE 14 HA ILE 14 3.424 6.008 -11.891 110 HB ILE 14 HB ILE 14 0.862 4.364 -11.649 111 HG12 ILE 14 HG12 ILE 14 1.388 7.110 -12.892 112 HG13 ILE 14 HG13 ILE 14 1.081 5.621 -13.777 113 HG21 ILE 14 HG21 ILE 14 1.270 5.375 -9.465 114 HG22 ILE 14 HG22 ILE 14 -0.058 6.218 -10.259 115 HG23 ILE 14 HG23 ILE 14 1.543 6.952 -10.207 116 HD11 ILE 14 HD11 ILE 14 -0.885 7.053 -11.992 117 HD12 ILE 14 HD12 ILE 14 -1.188 5.550 -12.866 118 HD13 ILE 14 HD13 ILE 14 -0.872 7.038 -13.756 119 H ALA 15 H ALA 15 2.784 2.596 -11.024 120 HA ALA 15 HA ALA 15 3.259 2.692 -8.265 121 HB1 ALA 15 HB1 ALA 15 3.788 0.383 -10.167 122 HB2 ALA 15 HB2 ALA 15 2.246 0.757 -9.399 123 HB3 ALA 15 HB3 ALA 15 3.620 0.259 -8.410 124 H GLU 16 H GLU 16 5.518 2.378 -10.961 125 HA GLU 16 HA GLU 16 7.895 1.907 -9.464 126 HB2 GLU 16 HB2 GLU 16 7.422 2.978 -12.273 127 HB3 GLU 16 HB3 GLU 16 9.022 2.613 -11.639 128 HG2 GLU 16 HG2 GLU 16 6.775 0.598 -11.909 129 HG3 GLU 16 HG3 GLU 16 8.084 0.805 -13.071 130 H GLU 17 H GLU 17 6.313 4.861 -10.637 131 HA GLU 17 HA GLU 17 8.354 6.718 -9.977 132 HB2 GLU 17 HB2 GLU 17 5.355 7.124 -10.264 133 HB3 GLU 17 HB3 GLU 17 6.526 8.433 -10.143 134 HG2 GLU 17 HG2 GLU 17 6.331 6.390 -12.364 135 HG3 GLU 17 HG3 GLU 17 5.879 8.091 -12.458 136 H LEU 18 H LEU 18 5.648 5.399 -8.151 137 HA LEU 18 HA LEU 18 5.914 7.081 -5.857 138 HB2 LEU 18 HB2 LEU 18 4.689 4.298 -6.077 139 HB3 LEU 18 HB3 LEU 18 4.425 5.439 -4.766 140 HG LEU 18 HG LEU 18 3.495 5.757 -7.645 141 HD11 LEU 18 HD11 LEU 18 1.897 5.337 -5.112 142 HD12 LEU 18 HD12 LEU 18 2.177 4.146 -6.384 143 HD13 LEU 18 HD13 LEU 18 1.233 5.595 -6.728 144 HD21 LEU 18 HD21 LEU 18 4.113 7.954 -6.788 145 HD22 LEU 18 HD22 LEU 18 3.133 7.699 -5.342 146 HD23 LEU 18 HD23 LEU 18 2.359 7.823 -6.923 147 H ARG 19 H ARG 19 6.986 3.842 -6.716 148 HA ARG 19 HA ARG 19 8.081 2.859 -4.384 149 HB2 ARG 19 HB2 ARG 19 7.613 1.584 -6.472 150 HB3 ARG 19 HB3 ARG 19 8.986 2.358 -7.255 151 HG2 ARG 19 HG2 ARG 19 10.491 1.260 -5.559 152 HG3 ARG 19 HG3 ARG 19 9.074 0.411 -4.926 153 HD2 ARG 19 HD2 ARG 19 10.372 -0.995 -6.519 154 HD3 ARG 19 HD3 ARG 19 8.728 -0.695 -7.089 155 HE ARG 19 HE ARG 19 9.590 0.335 -8.907 156 HH11 ARG 19 HH11 ARG 19 12.156 0.360 -6.477 157 HH12 ARG 19 HH12 ARG 19 13.319 1.062 -7.555 158 HH21 ARG 19 HH21 ARG 19 11.100 1.307 -10.256 159 HH22 ARG 19 HH22 ARG 19 12.718 1.596 -9.694 160 H LYS 20 H LYS 20 9.763 4.637 -6.964 161 HA LYS 20 HA LYS 20 12.375 4.426 -5.840 162 HB2 LYS 20 HB2 LYS 20 13.043 5.966 -7.654 163 HB3 LYS 20 HB3 LYS 20 12.021 4.663 -8.245 164 HG2 LYS 20 HG2 LYS 20 10.066 6.339 -8.093 165 HG3 LYS 20 HG3 LYS 20 11.296 7.586 -7.896 166 HD2 LYS 20 HD2 LYS 20 11.032 5.704 -10.282 167 HD3 LYS 20 HD3 LYS 20 10.552 7.400 -10.249 168 HE2 LYS 20 HE2 LYS 20 12.856 8.113 -10.024 169 HE3 LYS 20 HE3 LYS 20 13.400 6.444 -9.821 170 HZ1 LYS 20 HZ1 LYS 20 12.145 7.557 -12.277 171 HZ2 LYS 20 HZ2 LYS 20 12.681 5.968 -12.075 172 HZ3 LYS 20 HZ3 LYS 20 13.796 7.239 -12.073 173 H GLU 21 H GLU 21 9.831 6.872 -5.612 174 HA GLU 21 HA GLU 21 11.414 8.860 -4.303 175 HB2 GLU 21 HB2 GLU 21 8.568 8.580 -5.074 176 HB3 GLU 21 HB3 GLU 21 8.787 9.462 -3.570 177 HG2 GLU 21 HG2 GLU 21 8.708 11.022 -5.400 178 HG3 GLU 21 HG3 GLU 21 10.324 11.024 -4.709 179 H VAL 22 H VAL 22 9.376 6.202 -3.144 180 HA VAL 22 HA VAL 22 9.325 6.832 -0.400 181 HB VAL 22 HB VAL 22 9.270 4.077 -1.721 182 HG11 VAL 22 HG11 VAL 22 8.413 4.867 1.089 183 HG12 VAL 22 HG12 VAL 22 9.804 3.864 0.667 184 HG13 VAL 22 HG13 VAL 22 8.171 3.283 0.350 185 HG21 VAL 22 HG21 VAL 22 6.816 4.231 -1.522 186 HG22 VAL 22 HG22 VAL 22 7.456 5.543 -2.509 187 HG23 VAL 22 HG23 VAL 22 6.966 5.857 -0.847 188 H GLN 23 H GLN 23 11.729 5.106 -2.361 189 HA GLN 23 HA GLN 23 13.395 4.191 -0.253 190 HB2 GLN 23 HB2 GLN 23 14.136 4.830 -3.140 191 HB3 GLN 23 HB3 GLN 23 15.139 3.918 -2.019 192 HG2 GLN 23 HG2 GLN 23 12.452 3.088 -3.142 193 HG3 GLN 23 HG3 GLN 23 14.026 2.391 -3.519 194 HE21 GLN 23 HE21 GLN 23 11.441 2.536 -1.189 195 HE22 GLN 23 HE22 GLN 23 11.989 1.239 -0.186 196 H LYS 24 H LYS 24 13.257 7.220 -2.049 197 HA LYS 24 HA LYS 24 15.626 8.345 -0.772 198 HB2 LYS 24 HB2 LYS 24 13.670 9.465 -2.809 199 HB3 LYS 24 HB3 LYS 24 15.047 10.372 -2.181 200 HG2 LYS 24 HG2 LYS 24 16.605 8.710 -3.098 201 HG3 LYS 24 HG3 LYS 24 15.254 7.732 -3.677 202 HD2 LYS 24 HD2 LYS 24 15.916 10.552 -4.611 203 HD3 LYS 24 HD3 LYS 24 16.282 9.069 -5.496 204 HE2 LYS 24 HE2 LYS 24 13.833 8.575 -5.593 205 HE3 LYS 24 HE3 LYS 24 13.519 10.127 -4.812 206 HZ1 LYS 24 HZ1 LYS 24 14.914 9.776 -7.404 207 HZ2 LYS 24 HZ2 LYS 24 14.523 11.250 -6.675 208 HZ3 LYS 24 HZ3 LYS 24 13.297 10.224 -7.226 209 H HIS 25 H HIS 25 12.268 8.194 -0.084 210 HA HIS 25 HA HIS 25 12.143 10.540 1.619 211 HB2 HIS 25 HB2 HIS 25 10.090 9.550 0.588 212 HB3 HIS 25 HB3 HIS 25 10.317 8.080 1.522 213 HD2 HIS 25 HD2 HIS 25 9.934 8.502 4.414 214 HE1 HIS 25 HE1 HIS 25 7.425 11.831 3.720 215 HE2 HIS 25 HE2 HIS 25 8.338 10.249 5.466 216 H ASP 26 H ASP 26 12.506 7.050 1.996 217 HA ASP 26 HA ASP 26 14.179 7.279 4.322 218 HB2 ASP 26 HB2 ASP 26 11.862 7.442 5.297 219 HB3 ASP 26 HB3 ASP 26 11.471 5.887 4.578 220 HA PRO 27 HA PRO 27 15.498 3.795 1.758 221 HB2 PRO 27 HB2 PRO 27 17.944 3.370 2.815 222 HB3 PRO 27 HB3 PRO 27 17.571 4.899 1.988 223 HG2 PRO 27 HG2 PRO 27 17.618 4.335 4.939 224 HG3 PRO 27 HG3 PRO 27 18.324 5.705 4.051 225 HD2 PRO 27 HD2 PRO 27 15.879 5.824 5.323 226 HD3 PRO 27 HD3 PRO 27 16.303 6.830 3.919 227 H ASN 28 H ASN 28 14.496 3.525 4.948 228 HA ASN 28 HA ASN 28 15.226 0.677 5.243 229 HB2 ASN 28 HB2 ASN 28 14.067 2.601 7.301 230 HB3 ASN 28 HB3 ASN 28 14.593 0.952 7.612 231 HD21 ASN 28 HD21 ASN 28 17.022 1.226 5.900 232 HD22 ASN 28 HD22 ASN 28 18.106 2.214 6.805 233 H VAL 29 H VAL 29 12.699 2.555 4.085 234 HA VAL 29 HA VAL 29 10.515 0.806 4.852 235 HB VAL 29 HB VAL 29 10.517 2.782 2.520 236 HG11 VAL 29 HG11 VAL 29 8.674 1.152 2.463 237 HG12 VAL 29 HG12 VAL 29 8.052 2.759 2.837 238 HG13 VAL 29 HG13 VAL 29 8.228 1.562 4.123 239 HG21 VAL 29 HG21 VAL 29 9.500 4.434 4.052 240 HG22 VAL 29 HG22 VAL 29 11.134 3.995 4.556 241 HG23 VAL 29 HG23 VAL 29 9.743 3.325 5.405 242 H LYS 30 H LYS 30 10.220 -1.143 3.982 243 HA LYS 30 HA LYS 30 11.674 -2.081 1.659 244 HB2 LYS 30 HB2 LYS 30 9.781 -3.324 3.677 245 HB3 LYS 30 HB3 LYS 30 10.219 -4.218 2.227 246 HG2 LYS 30 HG2 LYS 30 12.245 -3.101 4.192 247 HG3 LYS 30 HG3 LYS 30 11.606 -4.743 4.258 248 HD2 LYS 30 HD2 LYS 30 13.114 -3.563 1.893 249 HD3 LYS 30 HD3 LYS 30 13.815 -4.622 3.113 250 HE2 LYS 30 HE2 LYS 30 12.212 -6.407 2.473 251 HE3 LYS 30 HE3 LYS 30 11.546 -5.346 1.231 252 HZ1 LYS 30 HZ1 LYS 30 14.337 -6.351 1.332 253 HZ2 LYS 30 HZ2 LYS 30 13.703 -5.335 0.145 254 HZ3 LYS 30 HZ3 LYS 30 13.117 -6.912 0.305 255 H THR 31 H THR 31 10.902 -2.316 -0.386 256 HA THR 31 HA THR 31 8.012 -1.807 -0.907 257 HB THR 31 HB THR 31 8.749 -0.913 -3.184 258 HG1 THR 31 HG1 THR 31 11.302 -0.550 -1.999 259 HG21 THR 31 HG21 THR 31 8.055 0.646 -1.396 260 HG22 THR 31 HG22 THR 31 9.347 1.341 -2.376 261 HG23 THR 31 HG23 THR 31 9.712 0.684 -0.780 262 H VAL 32 H VAL 32 6.983 -3.473 -1.829 263 HA VAL 32 HA VAL 32 8.532 -5.748 -2.941 264 HB VAL 32 HB VAL 32 6.185 -5.977 -0.988 265 HG11 VAL 32 HG11 VAL 32 6.751 -8.373 -0.889 266 HG12 VAL 32 HG12 VAL 32 8.039 -8.128 -2.071 267 HG13 VAL 32 HG13 VAL 32 6.355 -7.881 -2.537 268 HG21 VAL 32 HG21 VAL 32 9.139 -6.420 -0.409 269 HG22 VAL 32 HG22 VAL 32 7.808 -6.724 0.711 270 HG23 VAL 32 HG23 VAL 32 8.156 -5.078 0.184 271 HA PRO 33 HA PRO 33 5.198 -5.008 -6.011 272 HB2 PRO 33 HB2 PRO 33 6.347 -6.246 -8.137 273 HB3 PRO 33 HB3 PRO 33 6.969 -4.701 -7.521 274 HG2 PRO 33 HG2 PRO 33 8.020 -7.469 -7.046 275 HG3 PRO 33 HG3 PRO 33 8.912 -5.979 -7.419 276 HD2 PRO 33 HD2 PRO 33 8.623 -6.982 -4.860 277 HD3 PRO 33 HD3 PRO 33 8.900 -5.266 -5.223 278 H THR 34 H THR 34 4.151 -6.564 -7.744 279 HA THR 34 HA THR 34 2.634 -8.432 -6.239 280 HB THR 34 HB THR 34 1.523 -8.884 -8.518 281 HG1 THR 34 HG1 THR 34 2.783 -8.284 -10.137 282 HG21 THR 34 HG21 THR 34 0.437 -6.704 -8.658 283 HG22 THR 34 HG22 THR 34 1.701 -5.986 -7.659 284 HG23 THR 34 HG23 THR 34 0.609 -7.194 -6.974 285 H LYS 35 H LYS 35 5.361 -8.878 -8.431 286 HA LYS 35 HA LYS 35 5.046 -11.683 -8.907 287 HB2 LYS 35 HB2 LYS 35 7.397 -11.645 -9.670 288 HB3 LYS 35 HB3 LYS 35 6.492 -10.297 -10.352 289 HG2 LYS 35 HG2 LYS 35 7.490 -8.756 -8.737 290 HG3 LYS 35 HG3 LYS 35 8.334 -10.092 -7.950 291 HD2 LYS 35 HD2 LYS 35 9.624 -10.491 -10.044 292 HD3 LYS 35 HD3 LYS 35 8.798 -9.124 -10.798 293 HE2 LYS 35 HE2 LYS 35 9.745 -7.645 -8.993 294 HE3 LYS 35 HE3 LYS 35 10.675 -9.028 -8.411 295 HZ1 LYS 35 HZ1 LYS 35 10.895 -7.729 -11.069 296 HZ2 LYS 35 HZ2 LYS 35 11.693 -9.154 -10.643 297 HZ3 LYS 35 HZ3 LYS 35 12.045 -7.715 -9.830 298 H ASP 36 H ASP 36 6.474 -9.799 -6.345 299 HA ASP 36 HA ASP 36 7.551 -12.102 -4.896 300 HB2 ASP 36 HB2 ASP 36 7.589 -9.082 -4.452 301 HB3 ASP 36 HB3 ASP 36 8.136 -10.197 -3.207 302 H LYS 37 H LYS 37 4.888 -12.448 -5.263 303 HA LYS 37 HA LYS 37 3.120 -11.080 -3.538 304 HB2 LYS 37 HB2 LYS 37 2.416 -12.219 -5.637 305 HB3 LYS 37 HB3 LYS 37 2.755 -13.777 -4.908 306 HG2 LYS 37 HG2 LYS 37 0.445 -13.663 -4.707 307 HG3 LYS 37 HG3 LYS 37 0.948 -13.069 -3.131 308 HD2 LYS 37 HD2 LYS 37 0.090 -11.323 -5.482 309 HD3 LYS 37 HD3 LYS 37 -0.939 -11.771 -4.127 310 HE2 LYS 37 HE2 LYS 37 1.522 -9.996 -4.041 311 HE3 LYS 37 HE3 LYS 37 -0.155 -9.510 -3.790 312 HZ1 LYS 37 HZ1 LYS 37 1.379 -11.357 -2.036 313 HZ2 LYS 37 HZ2 LYS 37 -0.213 -10.845 -1.787 314 HZ3 LYS 37 HZ3 LYS 37 1.055 -9.731 -1.703 315 H GLU 38 H GLU 38 4.803 -14.173 -3.183 316 HA GLU 38 HA GLU 38 3.615 -14.910 -0.653 317 HB2 GLU 38 HB2 GLU 38 6.200 -15.990 -1.888 318 HB3 GLU 38 HB3 GLU 38 5.264 -16.723 -0.592 319 HG2 GLU 38 HG2 GLU 38 4.778 -18.013 -2.503 320 HG3 GLU 38 HG3 GLU 38 3.363 -16.990 -2.272 321 H LYS 39 H LYS 39 6.506 -13.325 -1.809 322 HA LYS 39 HA LYS 39 8.059 -13.216 0.534 323 HB2 LYS 39 HB2 LYS 39 8.315 -12.434 -2.180 324 HB3 LYS 39 HB3 LYS 39 8.495 -10.932 -1.303 325 HG2 LYS 39 HG2 LYS 39 10.151 -13.420 -0.801 326 HG3 LYS 39 HG3 LYS 39 10.626 -12.105 -1.875 327 HD2 LYS 39 HD2 LYS 39 10.566 -10.541 0.063 328 HD3 LYS 39 HD3 LYS 39 10.168 -11.895 1.122 329 HE2 LYS 39 HE2 LYS 39 12.329 -12.965 0.553 330 HE3 LYS 39 HE3 LYS 39 12.721 -11.605 -0.502 331 HZ1 LYS 39 HZ1 LYS 39 12.728 -10.141 1.391 332 HZ2 LYS 39 HZ2 LYS 39 13.752 -11.450 1.713 333 HZ3 LYS 39 HZ3 LYS 39 12.215 -11.385 2.416 334 H VAL 40 H VAL 40 5.397 -11.229 -0.600 335 HA VAL 40 HA VAL 40 5.543 -8.907 0.904 336 HB VAL 40 HB VAL 40 3.043 -10.551 0.249 337 HG11 VAL 40 HG11 VAL 40 3.202 -7.642 1.121 338 HG12 VAL 40 HG12 VAL 40 2.522 -8.979 2.050 339 HG13 VAL 40 HG13 VAL 40 1.745 -8.464 0.555 340 HG21 VAL 40 HG21 VAL 40 4.262 -9.882 -1.769 341 HG22 VAL 40 HG22 VAL 40 4.256 -8.198 -1.246 342 HG23 VAL 40 HG23 VAL 40 2.738 -9.004 -1.654 343 H LYS 41 H LYS 41 4.099 -12.032 1.830 344 HA LYS 41 HA LYS 41 3.058 -11.447 4.336 345 HB2 LYS 41 HB2 LYS 41 2.528 -13.505 3.094 346 HB3 LYS 41 HB3 LYS 41 4.192 -14.061 3.238 347 HG2 LYS 41 HG2 LYS 41 3.880 -14.171 5.721 348 HG3 LYS 41 HG3 LYS 41 2.189 -13.737 5.486 349 HD2 LYS 41 HD2 LYS 41 1.848 -15.813 4.157 350 HD3 LYS 41 HD3 LYS 41 3.545 -16.241 4.407 351 HE2 LYS 41 HE2 LYS 41 3.176 -16.396 6.826 352 HE3 LYS 41 HE3 LYS 41 1.502 -15.877 6.625 353 HZ1 LYS 41 HZ1 LYS 41 1.089 -17.886 5.326 354 HZ2 LYS 41 HZ2 LYS 41 1.625 -18.252 6.884 355 HZ3 LYS 41 HZ3 LYS 41 2.683 -18.393 5.572 356 H GLU 42 H GLU 42 6.297 -12.486 3.403 357 HA GLU 42 HA GLU 42 7.373 -12.911 5.996 358 HB2 GLU 42 HB2 GLU 42 8.782 -12.264 3.366 359 HB3 GLU 42 HB3 GLU 42 9.573 -12.876 4.812 360 HG2 GLU 42 HG2 GLU 42 7.465 -14.344 3.213 361 HG3 GLU 42 HG3 GLU 42 9.201 -14.634 3.128 362 H GLU 43 H GLU 43 7.597 -10.159 3.707 363 HA GLU 43 HA GLU 43 9.360 -8.638 5.332 364 HB2 GLU 43 HB2 GLU 43 7.639 -7.553 3.076 365 HB3 GLU 43 HB3 GLU 43 9.107 -6.833 3.718 366 HG2 GLU 43 HG2 GLU 43 8.797 -9.249 1.944 367 HG3 GLU 43 HG3 GLU 43 9.716 -7.782 1.654 368 H ILE 44 H ILE 44 5.855 -8.814 5.216 369 HA ILE 44 HA ILE 44 5.183 -6.498 6.692 370 HB ILE 44 HB ILE 44 3.807 -9.227 6.608 371 HG12 ILE 44 HG12 ILE 44 3.093 -6.624 5.168 372 HG13 ILE 44 HG13 ILE 44 3.901 -8.001 4.426 373 HG21 ILE 44 HG21 ILE 44 2.696 -6.630 7.742 374 HG22 ILE 44 HG22 ILE 44 3.138 -8.061 8.674 375 HG23 ILE 44 HG23 ILE 44 1.792 -8.132 7.539 376 HD11 ILE 44 HD11 ILE 44 1.100 -7.976 5.545 377 HD12 ILE 44 HD12 ILE 44 1.920 -9.383 4.856 378 HD13 ILE 44 HD13 ILE 44 1.570 -7.983 3.844 379 H GLU 45 H GLU 45 6.004 -9.825 7.748 380 HA GLU 45 HA GLU 45 5.836 -9.315 10.549 381 HB2 GLU 45 HB2 GLU 45 5.633 -11.597 9.622 382 HB3 GLU 45 HB3 GLU 45 7.317 -11.544 9.097 383 HG2 GLU 45 HG2 GLU 45 8.044 -11.336 11.445 384 HG3 GLU 45 HG3 GLU 45 6.367 -11.357 11.973 385 H LYS 46 H LYS 46 8.458 -9.182 8.195 386 HA LYS 46 HA LYS 46 10.591 -8.692 10.020 387 HB2 LYS 46 HB2 LYS 46 10.391 -7.989 7.055 388 HB3 LYS 46 HB3 LYS 46 11.878 -8.006 8.005 389 HG2 LYS 46 HG2 LYS 46 11.495 -10.480 8.416 390 HG3 LYS 46 HG3 LYS 46 10.140 -10.395 7.293 391 HD2 LYS 46 HD2 LYS 46 11.814 -9.528 5.551 392 HD3 LYS 46 HD3 LYS 46 13.088 -9.980 6.685 393 HE2 LYS 46 HE2 LYS 46 11.048 -11.854 5.432 394 HE3 LYS 46 HE3 LYS 46 12.747 -11.731 4.995 395 HZ1 LYS 46 HZ1 LYS 46 11.656 -12.687 7.580 396 HZ2 LYS 46 HZ2 LYS 46 13.301 -12.484 7.244 397 HZ3 LYS 46 HZ3 LYS 46 12.403 -13.623 6.381 398 H ALA 47 H ALA 47 8.212 -6.644 8.446 399 HA ALA 47 HA ALA 47 9.353 -4.100 9.044 400 HB1 ALA 47 HB1 ALA 47 7.667 -4.406 7.278 401 HB2 ALA 47 HB2 ALA 47 7.145 -3.198 8.451 402 HB3 ALA 47 HB3 ALA 47 6.452 -4.823 8.488 403 H ARG 48 H ARG 48 7.199 -6.291 10.828 404 HA ARG 48 HA ARG 48 6.550 -4.627 13.042 405 HB2 ARG 48 HB2 ARG 48 7.038 -7.642 13.033 406 HB3 ARG 48 HB3 ARG 48 6.194 -6.749 14.294 407 HG2 ARG 48 HG2 ARG 48 4.328 -6.326 12.868 408 HG3 ARG 48 HG3 ARG 48 5.201 -6.890 11.439 409 HD2 ARG 48 HD2 ARG 48 3.598 -8.576 12.220 410 HD3 ARG 48 HD3 ARG 48 5.251 -9.167 12.341 411 HE ARG 48 HE ARG 48 4.490 -8.051 14.812 412 HH11 ARG 48 HH11 ARG 48 3.690 -10.854 12.820 413 HH12 ARG 48 HH12 ARG 48 3.269 -11.844 14.186 414 HH21 ARG 48 HH21 ARG 48 4.036 -9.387 16.584 415 HH22 ARG 48 HH22 ARG 48 3.465 -11.008 16.321 416 H LYS 49 H LYS 49 9.166 -6.914 12.441 417 HA LYS 49 HA LYS 49 10.335 -6.917 15.005 418 HB2 LYS 49 HB2 LYS 49 10.497 -8.737 13.290 419 HB3 LYS 49 HB3 LYS 49 11.572 -7.722 12.333 420 HG2 LYS 49 HG2 LYS 49 13.241 -7.770 14.152 421 HG3 LYS 49 HG3 LYS 49 12.147 -8.747 15.137 422 HD2 LYS 49 HD2 LYS 49 12.234 -10.534 13.362 423 HD3 LYS 49 HD3 LYS 49 13.428 -9.561 12.494 424 HE2 LYS 49 HE2 LYS 49 14.974 -9.745 14.397 425 HE3 LYS 49 HE3 LYS 49 13.770 -10.658 15.306 426 HZ1 LYS 49 HZ1 LYS 49 15.132 -11.514 12.816 427 HZ2 LYS 49 HZ2 LYS 49 13.874 -12.368 13.553 428 HZ3 LYS 49 HZ3 LYS 49 15.343 -12.158 14.362 429 H GLN 50 H GLN 50 11.101 -5.116 12.056 430 HA GLN 50 HA GLN 50 13.423 -3.787 13.246 431 HB2 GLN 50 HB2 GLN 50 12.215 -3.480 10.459 432 HB3 GLN 50 HB3 GLN 50 13.766 -2.834 10.995 433 HG2 GLN 50 HG2 GLN 50 14.623 -5.134 11.314 434 HG3 GLN 50 HG3 GLN 50 13.064 -5.780 10.799 435 HE21 GLN 50 HE21 GLN 50 13.864 -6.888 9.026 436 HE22 GLN 50 HE22 GLN 50 14.522 -6.109 7.634 437 H GLY 51 H GLY 51 10.056 -3.257 13.029 438 HA2 GLY 51 HA2 GLY 51 8.734 -1.540 13.820 439 HA3 GLY 51 HA3 GLY 51 10.194 -0.700 14.324 440 H ARG 52 H ARG 52 9.398 -1.754 11.050 441 HA ARG 52 HA ARG 52 9.514 1.048 10.101 442 HB2 ARG 52 HB2 ARG 52 10.751 -1.500 8.973 443 HB3 ARG 52 HB3 ARG 52 10.537 -0.064 7.975 444 HG2 ARG 52 HG2 ARG 52 12.126 -0.158 10.560 445 HG3 ARG 52 HG3 ARG 52 12.819 -0.221 8.936 446 HD2 ARG 52 HD2 ARG 52 12.094 2.019 8.441 447 HD3 ARG 52 HD3 ARG 52 11.079 2.084 9.883 448 HE ARG 52 HE ARG 52 13.549 1.716 10.905 449 HH11 ARG 52 HH11 ARG 52 12.270 4.048 8.608 450 HH12 ARG 52 HH12 ARG 52 13.365 5.298 9.082 451 HH21 ARG 52 HH21 ARG 52 14.961 3.378 11.542 452 HH22 ARG 52 HH22 ARG 52 14.893 4.920 10.748 453 HA PRO 53 HA PRO 53 5.863 -0.015 7.591 454 HB2 PRO 53 HB2 PRO 53 5.934 1.923 5.695 455 HB3 PRO 53 HB3 PRO 53 5.570 2.309 7.392 456 HG2 PRO 53 HG2 PRO 53 8.158 2.620 5.916 457 HG3 PRO 53 HG3 PRO 53 7.365 3.750 7.033 458 HD2 PRO 53 HD2 PRO 53 9.409 2.063 7.791 459 HD3 PRO 53 HD3 PRO 53 8.172 2.667 8.912 460 H ILE 54 H ILE 54 5.314 -0.556 5.329 461 HA ILE 54 HA ILE 54 7.472 -1.355 3.525 462 HB ILE 54 HB ILE 54 7.326 -3.404 4.773 463 HG12 ILE 54 HG12 ILE 54 5.703 -3.567 2.201 464 HG13 ILE 54 HG13 ILE 54 7.396 -3.963 2.443 465 HG21 ILE 54 HG21 ILE 54 4.301 -3.287 4.625 466 HG22 ILE 54 HG22 ILE 54 5.279 -2.931 6.047 467 HG23 ILE 54 HG23 ILE 54 5.252 -4.567 5.387 468 HD11 ILE 54 HD11 ILE 54 4.997 -5.541 3.349 469 HD12 ILE 54 HD12 ILE 54 6.659 -5.923 3.799 470 HD13 ILE 54 HD13 ILE 54 6.174 -5.969 2.107 471 H VAL 55 H VAL 55 6.820 -0.632 1.556 472 HA VAL 55 HA VAL 55 3.970 -0.218 0.980 473 HB VAL 55 HB VAL 55 6.347 0.567 -0.774 474 HG11 VAL 55 HG11 VAL 55 4.760 2.192 -1.745 475 HG12 VAL 55 HG12 VAL 55 3.483 1.577 -0.693 476 HG13 VAL 55 HG13 VAL 55 4.187 0.531 -1.930 477 HG21 VAL 55 HG21 VAL 55 4.995 2.274 1.344 478 HG22 VAL 55 HG22 VAL 55 6.226 2.820 0.201 479 HG23 VAL 55 HG23 VAL 55 6.633 1.618 1.427 480 H VAL 56 H VAL 56 3.101 -2.108 0.378 481 HA VAL 56 HA VAL 56 4.354 -3.947 -1.510 482 HB VAL 56 HB VAL 56 1.566 -4.080 -0.233 483 HG11 VAL 56 HG11 VAL 56 1.685 -6.490 -0.767 484 HG12 VAL 56 HG12 VAL 56 3.253 -6.258 -1.542 485 HG13 VAL 56 HG13 VAL 56 1.810 -5.504 -2.226 486 HG21 VAL 56 HG21 VAL 56 2.534 -5.598 1.450 487 HG22 VAL 56 HG22 VAL 56 3.287 -4.004 1.528 488 HG23 VAL 56 HG23 VAL 56 4.148 -5.348 0.777 489 H PHE 57 H PHE 57 4.141 -3.461 -3.647 490 HA PHE 57 HA PHE 57 1.906 -1.881 -4.653 491 HB2 PHE 57 HB2 PHE 57 4.358 -3.066 -6.032 492 HB3 PHE 57 HB3 PHE 57 3.148 -2.057 -6.835 493 HD1 PHE 57 HD1 PHE 57 2.831 0.326 -6.129 494 HD2 PHE 57 HD2 PHE 57 6.039 -2.052 -4.580 495 HE1 PHE 57 HE1 PHE 57 3.940 2.356 -5.297 496 HE2 PHE 57 HE2 PHE 57 7.140 -0.010 -3.764 497 HZ PHE 57 HZ PHE 57 6.088 2.187 -4.112 498 H VAL 58 H VAL 58 0.110 -2.894 -4.840 499 HA VAL 58 HA VAL 58 -0.121 -5.640 -5.918 500 HB VAL 58 HB VAL 58 -2.124 -4.061 -4.215 501 HG11 VAL 58 HG11 VAL 58 -2.169 -6.989 -5.040 502 HG12 VAL 58 HG12 VAL 58 -3.233 -5.722 -5.655 503 HG13 VAL 58 HG13 VAL 58 -3.325 -6.200 -3.961 504 HG21 VAL 58 HG21 VAL 58 -0.126 -4.631 -2.895 505 HG22 VAL 58 HG22 VAL 58 -0.274 -6.325 -3.369 506 HG23 VAL 58 HG23 VAL 58 -1.518 -5.578 -2.357 507 H ARG 59 H ARG 59 -1.746 -5.980 -7.597 508 HA ARG 59 HA ARG 59 -2.363 -3.685 -9.273 509 HB2 ARG 59 HB2 ARG 59 -3.235 -6.597 -9.522 510 HB3 ARG 59 HB3 ARG 59 -3.433 -5.369 -10.769 511 HG2 ARG 59 HG2 ARG 59 -0.806 -6.450 -9.712 512 HG3 ARG 59 HG3 ARG 59 -1.541 -6.847 -11.264 513 HD2 ARG 59 HD2 ARG 59 -1.254 -4.526 -12.013 514 HD3 ARG 59 HD3 ARG 59 -0.583 -4.080 -10.440 515 HE ARG 59 HE ARG 59 1.093 -6.028 -11.162 516 HH11 ARG 59 HH11 ARG 59 -0.063 -3.268 -13.045 517 HH12 ARG 59 HH12 ARG 59 1.385 -3.189 -14.000 518 HH21 ARG 59 HH21 ARG 59 2.950 -5.891 -12.429 519 HH22 ARG 59 HH22 ARG 59 3.084 -4.671 -13.651 520 H GLY 60 H GLY 60 -4.526 -3.050 -9.878 521 HA2 GLY 60 HA2 GLY 60 -6.385 -2.739 -7.767 522 HA3 GLY 60 HA3 GLY 60 -6.684 -2.391 -9.461 523 H GLY 61 H GLY 61 -6.259 -5.057 -10.458 524 HA2 GLY 61 HA2 GLY 61 -8.796 -6.326 -9.941 525 HA3 GLY 61 HA3 GLY 61 -7.509 -6.933 -10.968 526 H ASP 62 H ASP 62 -5.704 -6.565 -8.499 527 HA ASP 62 HA ASP 62 -6.209 -9.173 -7.225 528 HB2 ASP 62 HB2 ASP 62 -3.797 -7.299 -7.209 529 HB3 ASP 62 HB3 ASP 62 -3.894 -8.754 -6.225 530 H ASP 63 H ASP 63 -7.804 -6.662 -6.646 531 HA ASP 63 HA ASP 63 -7.032 -5.656 -4.087 532 HB2 ASP 63 HB2 ASP 63 -9.132 -4.499 -4.028 533 HB3 ASP 63 HB3 ASP 63 -8.583 -4.459 -5.693 534 H GLU 64 H GLU 64 -8.819 -8.474 -5.113 535 HA GLU 64 HA GLU 64 -9.876 -9.182 -2.546 536 HB2 GLU 64 HB2 GLU 64 -9.423 -10.875 -5.026 537 HB3 GLU 64 HB3 GLU 64 -10.158 -11.488 -3.546 538 HG2 GLU 64 HG2 GLU 64 -11.915 -9.680 -3.775 539 HG3 GLU 64 HG3 GLU 64 -11.241 -9.325 -5.365 540 H ARG 65 H ARG 65 -6.801 -9.776 -4.185 541 HA ARG 65 HA ARG 65 -5.750 -11.471 -2.104 542 HB2 ARG 65 HB2 ARG 65 -4.377 -9.888 -4.320 543 HB3 ARG 65 HB3 ARG 65 -3.513 -10.936 -3.196 544 HG2 ARG 65 HG2 ARG 65 -4.813 -12.877 -3.999 545 HG3 ARG 65 HG3 ARG 65 -5.677 -11.833 -5.129 546 HD2 ARG 65 HD2 ARG 65 -3.604 -11.377 -6.345 547 HD3 ARG 65 HD3 ARG 65 -2.673 -12.307 -5.167 548 HE ARG 65 HE ARG 65 -4.470 -14.120 -6.033 549 HH11 ARG 65 HH11 ARG 65 -2.301 -11.997 -7.848 550 HH12 ARG 65 HH12 ARG 65 -2.149 -13.112 -9.173 551 HH21 ARG 65 HH21 ARG 65 -4.261 -15.544 -7.789 552 HH22 ARG 65 HH22 ARG 65 -3.254 -15.111 -9.139 553 H ALA 66 H ALA 66 -5.878 -8.016 -2.765 554 HA ALA 66 HA ALA 66 -3.858 -7.155 -0.963 555 HB1 ALA 66 HB1 ALA 66 -4.723 -4.902 -1.358 556 HB2 ALA 66 HB2 ALA 66 -6.170 -5.567 -2.125 557 HB3 ALA 66 HB3 ALA 66 -4.588 -5.802 -2.868 558 H LYS 67 H LYS 67 -7.381 -7.539 -0.617 559 HA LYS 67 HA LYS 67 -7.582 -6.424 2.012 560 HB2 LYS 67 HB2 LYS 67 -9.813 -7.671 2.101 561 HB3 LYS 67 HB3 LYS 67 -9.623 -6.535 0.772 562 HG2 LYS 67 HG2 LYS 67 -9.305 -8.258 -0.816 563 HG3 LYS 67 HG3 LYS 67 -9.059 -9.485 0.417 564 HD2 LYS 67 HD2 LYS 67 -11.729 -8.067 0.211 565 HD3 LYS 67 HD3 LYS 67 -11.334 -9.378 -0.903 566 HE2 LYS 67 HE2 LYS 67 -11.366 -9.587 2.128 567 HE3 LYS 67 HE3 LYS 67 -12.591 -10.215 1.028 568 HZ1 LYS 67 HZ1 LYS 67 -9.748 -11.084 1.046 569 HZ2 LYS 67 HZ2 LYS 67 -10.993 -11.727 0.105 570 HZ3 LYS 67 HZ3 LYS 67 -11.020 -11.923 1.781 571 H ASP 68 H ASP 68 -6.753 -9.640 0.831 572 HA ASP 68 HA ASP 68 -6.838 -10.913 3.420 573 HB2 ASP 68 HB2 ASP 68 -5.746 -11.768 0.723 574 HB3 ASP 68 HB3 ASP 68 -5.421 -12.724 2.165 575 H ILE 69 H ILE 69 -4.305 -9.389 1.453 576 HA ILE 69 HA ILE 69 -2.095 -9.870 3.189 577 HB ILE 69 HB ILE 69 -2.540 -7.453 1.358 578 HG12 ILE 69 HG12 ILE 69 -0.961 -9.974 0.664 579 HG13 ILE 69 HG13 ILE 69 -2.624 -9.706 0.162 580 HG21 ILE 69 HG21 ILE 69 -0.763 -7.046 2.993 581 HG22 ILE 69 HG22 ILE 69 -0.073 -7.229 1.382 582 HG23 ILE 69 HG23 ILE 69 0.034 -8.555 2.541 583 HD11 ILE 69 HD11 ILE 69 -1.115 -9.162 -1.632 584 HD12 ILE 69 HD12 ILE 69 -0.244 -8.020 -0.610 585 HD13 ILE 69 HD13 ILE 69 -1.918 -7.697 -1.071 586 H ALA 70 H ALA 70 -4.594 -7.422 2.968 587 HA ALA 70 HA ALA 70 -3.728 -5.567 4.900 588 HB1 ALA 70 HB1 ALA 70 -5.409 -5.071 3.168 589 HB2 ALA 70 HB2 ALA 70 -6.040 -4.724 4.779 590 HB3 ALA 70 HB3 ALA 70 -6.543 -6.188 3.927 591 H GLU 71 H GLU 71 -5.985 -8.325 5.066 592 HA GLU 71 HA GLU 71 -6.698 -8.007 7.766 593 HB2 GLU 71 HB2 GLU 71 -7.996 -9.361 6.116 594 HB3 GLU 71 HB3 GLU 71 -6.709 -10.565 6.107 595 HG2 GLU 71 HG2 GLU 71 -8.588 -11.260 7.531 596 HG3 GLU 71 HG3 GLU 71 -7.115 -11.061 8.476 597 H TYR 72 H TYR 72 -4.208 -10.028 6.195 598 HA TYR 72 HA TYR 72 -3.172 -11.334 8.445 599 HB2 TYR 72 HB2 TYR 72 -2.543 -12.039 6.181 600 HB3 TYR 72 HB3 TYR 72 -1.774 -10.488 5.860 601 HD1 TYR 72 HD1 TYR 72 -1.499 -13.558 8.008 602 HD2 TYR 72 HD2 TYR 72 0.557 -10.185 6.371 603 HE1 TYR 72 HE1 TYR 72 0.635 -14.440 8.855 604 HE2 TYR 72 HE2 TYR 72 2.689 -11.070 7.216 605 HH TYR 72 HH TYR 72 3.430 -12.612 9.078 606 H ALA 73 H ALA 73 -2.161 -8.298 6.906 607 HA ALA 73 HA ALA 73 -0.032 -7.587 8.578 608 HB1 ALA 73 HB1 ALA 73 -0.288 -5.353 7.566 609 HB2 ALA 73 HB2 ALA 73 -1.871 -5.820 6.935 610 HB3 ALA 73 HB3 ALA 73 -0.412 -6.628 6.355 611 H GLN 74 H GLN 74 -3.484 -6.995 8.856 612 HA GLN 74 HA GLN 74 -3.380 -5.101 11.012 613 HB2 GLN 74 HB2 GLN 74 -5.251 -5.287 9.361 614 HB3 GLN 74 HB3 GLN 74 -5.679 -6.854 10.038 615 HG2 GLN 74 HG2 GLN 74 -6.312 -5.830 12.140 616 HG3 GLN 74 HG3 GLN 74 -5.718 -4.260 11.603 617 HE21 GLN 74 HE21 GLN 74 -8.207 -6.675 11.131 618 HE22 GLN 74 HE22 GLN 74 -9.336 -5.631 10.345 619 H LYS 75 H LYS 75 -3.775 -8.599 10.723 620 HA LYS 75 HA LYS 75 -4.148 -9.237 13.498 621 HB2 LYS 75 HB2 LYS 75 -3.179 -10.948 11.177 622 HB3 LYS 75 HB3 LYS 75 -3.612 -11.567 12.769 623 HG2 LYS 75 HG2 LYS 75 -5.941 -10.889 12.466 624 HG3 LYS 75 HG3 LYS 75 -5.540 -10.106 10.935 625 HD2 LYS 75 HD2 LYS 75 -6.581 -12.274 10.497 626 HD3 LYS 75 HD3 LYS 75 -4.892 -12.313 9.985 627 HE2 LYS 75 HE2 LYS 75 -5.363 -14.377 11.126 628 HE3 LYS 75 HE3 LYS 75 -4.334 -13.406 12.185 629 HZ1 LYS 75 HZ1 LYS 75 -7.284 -13.697 12.408 630 HZ2 LYS 75 HZ2 LYS 75 -6.324 -12.732 13.406 631 HZ3 LYS 75 HZ3 LYS 75 -6.136 -14.412 13.426 632 H GLU 76 H GLU 76 -1.367 -8.629 11.473 633 HA GLU 76 HA GLU 76 0.694 -9.611 13.210 634 HB2 GLU 76 HB2 GLU 76 0.728 -7.596 10.923 635 HB3 GLU 76 HB3 GLU 76 2.178 -8.154 11.740 636 HG2 GLU 76 HG2 GLU 76 0.264 -9.919 10.201 637 HG3 GLU 76 HG3 GLU 76 1.767 -9.273 9.568 638 H GLY 77 H GLY 77 -1.356 -6.892 13.361 639 HA2 GLY 77 HA2 GLY 77 -1.570 -5.415 15.151 640 HA3 GLY 77 HA3 GLY 77 0.061 -5.809 15.679 641 H LEU 78 H LEU 78 -0.475 -5.036 12.345 642 HA LEU 78 HA LEU 78 0.901 -2.437 12.668 643 HB2 LEU 78 HB2 LEU 78 0.675 -4.170 10.170 644 HB3 LEU 78 HB3 LEU 78 1.621 -2.697 10.329 645 HG LEU 78 HG LEU 78 2.166 -5.354 11.712 646 HD11 LEU 78 HD11 LEU 78 4.225 -5.387 10.378 647 HD12 LEU 78 HD12 LEU 78 3.740 -3.889 9.577 648 HD13 LEU 78 HD13 LEU 78 2.786 -5.360 9.357 649 HD21 LEU 78 HD21 LEU 78 4.212 -4.302 12.612 650 HD22 LEU 78 HD22 LEU 78 2.748 -3.557 13.243 651 HD23 LEU 78 HD23 LEU 78 3.679 -2.739 11.986 652 H ARG 79 H ARG 79 0.241 -0.686 11.253 653 HA ARG 79 HA ARG 79 -2.655 -0.483 10.957 654 HB2 ARG 79 HB2 ARG 79 -0.534 1.604 10.248 655 HB3 ARG 79 HB3 ARG 79 -2.270 1.870 10.317 656 HG2 ARG 79 HG2 ARG 79 -1.441 2.849 12.290 657 HG3 ARG 79 HG3 ARG 79 -2.105 1.303 12.816 658 HD2 ARG 79 HD2 ARG 79 0.101 0.338 12.994 659 HD3 ARG 79 HD3 ARG 79 0.837 1.735 12.204 660 HE ARG 79 HE ARG 79 -0.564 2.222 14.725 661 HH11 ARG 79 HH11 ARG 79 2.504 1.689 13.107 662 HH12 ARG 79 HH12 ARG 79 3.452 2.362 14.397 663 HH21 ARG 79 HH21 ARG 79 0.674 3.070 16.425 664 HH22 ARG 79 HH22 ARG 79 2.404 3.147 16.288 665 H VAL 80 H VAL 80 -3.667 -0.896 9.071 666 HA VAL 80 HA VAL 80 -2.092 -1.379 6.634 667 HB VAL 80 HB VAL 80 -5.044 -1.930 7.187 668 HG11 VAL 80 HG11 VAL 80 -4.966 -3.324 5.172 669 HG12 VAL 80 HG12 VAL 80 -3.281 -2.883 4.899 670 HG13 VAL 80 HG13 VAL 80 -4.546 -1.656 4.787 671 HG21 VAL 80 HG21 VAL 80 -3.571 -3.251 8.669 672 HG22 VAL 80 HG22 VAL 80 -2.703 -3.871 7.262 673 HG23 VAL 80 HG23 VAL 80 -4.405 -4.277 7.499 674 H ILE 81 H ILE 81 -1.836 0.317 5.348 675 HA ILE 81 HA ILE 81 -4.073 2.191 4.868 676 HB ILE 81 HB ILE 81 -1.078 2.629 4.959 677 HG12 ILE 81 HG12 ILE 81 -1.789 4.828 6.017 678 HG13 ILE 81 HG13 ILE 81 -3.465 4.325 5.862 679 HG21 ILE 81 HG21 ILE 81 -2.910 4.301 3.203 680 HG22 ILE 81 HG22 ILE 81 -1.556 3.305 2.665 681 HG23 ILE 81 HG23 ILE 81 -1.259 4.736 3.649 682 HD11 ILE 81 HD11 ILE 81 -3.085 2.519 7.443 683 HD12 ILE 81 HD12 ILE 81 -2.599 4.068 8.134 684 HD13 ILE 81 HD13 ILE 81 -1.376 2.944 7.546 685 H VAL 82 H VAL 82 -5.103 1.714 3.032 686 HA VAL 82 HA VAL 82 -3.712 0.306 0.819 687 HB VAL 82 HB VAL 82 -6.715 0.624 1.367 688 HG11 VAL 82 HG11 VAL 82 -5.325 -1.035 -0.769 689 HG12 VAL 82 HG12 VAL 82 -6.290 0.418 -1.037 690 HG13 VAL 82 HG13 VAL 82 -7.055 -1.048 -0.424 691 HG21 VAL 82 HG21 VAL 82 -5.655 -0.838 3.038 692 HG22 VAL 82 HG22 VAL 82 -4.947 -1.827 1.757 693 HG23 VAL 82 HG23 VAL 82 -6.700 -1.775 1.966 694 H ILE 83 H ILE 83 -3.022 1.695 -0.773 695 HA ILE 83 HA ILE 83 -4.530 4.193 -1.300 696 HB ILE 83 HB ILE 83 -1.634 3.526 -2.001 697 HG12 ILE 83 HG12 ILE 83 -2.766 5.341 0.179 698 HG13 ILE 83 HG13 ILE 83 -2.037 3.762 0.444 699 HG21 ILE 83 HG21 ILE 83 -1.425 5.932 -2.587 700 HG22 ILE 83 HG22 ILE 83 -3.151 6.156 -2.299 701 HG23 ILE 83 HG23 ILE 83 -2.606 5.119 -3.618 702 HD11 ILE 83 HD11 ILE 83 -0.513 5.508 1.003 703 HD12 ILE 83 HD12 ILE 83 -0.644 6.204 -0.612 704 HD13 ILE 83 HD13 ILE 83 0.087 4.610 -0.388 705 H ILE 84 H ILE 84 -5.920 3.879 -2.896 706 HA ILE 84 HA ILE 84 -5.318 2.168 -5.204 707 HB ILE 84 HB ILE 84 -7.838 3.824 -4.684 708 HG12 ILE 84 HG12 ILE 84 -7.427 0.880 -3.971 709 HG13 ILE 84 HG13 ILE 84 -7.320 2.192 -2.801 710 HG21 ILE 84 HG21 ILE 84 -7.389 1.396 -6.471 711 HG22 ILE 84 HG22 ILE 84 -7.553 3.064 -7.026 712 HG23 ILE 84 HG23 ILE 84 -8.917 2.251 -6.257 713 HD11 ILE 84 HD11 ILE 84 -9.449 1.124 -2.678 714 HD12 ILE 84 HD12 ILE 84 -9.752 1.418 -4.389 715 HD13 ILE 84 HD13 ILE 84 -9.645 2.774 -3.261 716 H VAL 85 H VAL 85 -4.432 3.038 -6.988 717 HA VAL 85 HA VAL 85 -4.644 5.935 -7.547 718 HB VAL 85 HB VAL 85 -2.411 4.139 -8.605 719 HG11 VAL 85 HG11 VAL 85 -1.232 6.303 -8.914 720 HG12 VAL 85 HG12 VAL 85 -2.646 7.156 -8.299 721 HG13 VAL 85 HG13 VAL 85 -2.756 6.238 -9.803 722 HG21 VAL 85 HG21 VAL 85 -2.275 3.989 -6.155 723 HG22 VAL 85 HG22 VAL 85 -2.292 5.747 -6.023 724 HG23 VAL 85 HG23 VAL 85 -0.926 4.935 -6.792 725 H SER 86 H SER 86 -6.318 5.983 -8.930 726 HA SER 86 HA SER 86 -6.080 4.758 -11.556 727 HB2 SER 86 HB2 SER 86 -8.554 4.291 -9.807 728 HB3 SER 86 HB3 SER 86 -8.443 3.889 -11.519 729 HG SER 86 HG SER 86 -6.395 2.735 -10.290 730 H GLN 87 H GLN 87 -6.902 6.161 -13.096 731 HA GLN 87 HA GLN 87 -7.738 8.796 -12.405 732 HB2 GLN 87 HB2 GLN 87 -8.025 9.187 -14.775 733 HB3 GLN 87 HB3 GLN 87 -6.582 8.207 -14.560 734 HG2 GLN 87 HG2 GLN 87 -7.789 6.209 -15.276 735 HG3 GLN 87 HG3 GLN 87 -9.292 7.115 -15.385 736 HE21 GLN 87 HE21 GLN 87 -7.995 9.466 -16.659 737 HE22 GLN 87 HE22 GLN 87 -7.672 8.978 -18.284 738 H ASP 88 H ASP 88 -9.427 5.851 -12.652 739 HA ASP 88 HA ASP 88 -12.047 6.934 -13.314 740 HB2 ASP 88 HB2 ASP 88 -11.135 4.661 -14.079 741 HB3 ASP 88 HB3 ASP 88 -11.306 4.106 -12.416 742 H GLU 89 H GLU 89 -13.204 7.925 -11.756 743 HA GLU 89 HA GLU 89 -12.852 7.920 -9.002 744 HB2 GLU 89 HB2 GLU 89 -15.122 8.708 -10.816 745 HB3 GLU 89 HB3 GLU 89 -15.475 8.604 -9.098 746 HG2 GLU 89 HG2 GLU 89 -13.255 10.284 -10.265 747 HG3 GLU 89 HG3 GLU 89 -14.870 10.883 -9.906 748 H GLU 90 H GLU 90 -15.003 5.842 -10.923 749 HA GLU 90 HA GLU 90 -16.474 4.817 -8.705 750 HB2 GLU 90 HB2 GLU 90 -16.165 3.600 -11.484 751 HB3 GLU 90 HB3 GLU 90 -17.441 3.246 -10.317 752 HG2 GLU 90 HG2 GLU 90 -18.253 5.579 -10.487 753 HG3 GLU 90 HG3 GLU 90 -16.965 5.942 -11.630 754 H ALA 91 H ALA 91 -13.531 3.797 -10.366 755 HA ALA 91 HA ALA 91 -13.149 1.305 -9.019 756 HB1 ALA 91 HB1 ALA 91 -10.830 1.465 -9.846 757 HB2 ALA 91 HB2 ALA 91 -11.094 3.156 -10.289 758 HB3 ALA 91 HB3 ALA 91 -11.983 1.877 -11.117 759 H LEU 92 H LEU 92 -12.157 4.650 -8.353 760 HA LEU 92 HA LEU 92 -10.433 4.157 -6.158 761 HB2 LEU 92 HB2 LEU 92 -11.989 6.649 -6.958 762 HB3 LEU 92 HB3 LEU 92 -10.807 6.628 -5.660 763 HG LEU 92 HG LEU 92 -10.204 6.102 -8.595 764 HD11 LEU 92 HD11 LEU 92 -9.561 8.532 -6.887 765 HD12 LEU 92 HD12 LEU 92 -10.747 8.457 -8.193 766 HD13 LEU 92 HD13 LEU 92 -9.033 8.268 -8.554 767 HD21 LEU 92 HD21 LEU 92 -8.312 6.277 -6.230 768 HD22 LEU 92 HD22 LEU 92 -7.842 6.138 -7.927 769 HD23 LEU 92 HD23 LEU 92 -8.713 4.821 -7.148 770 H ARG 93 H ARG 93 -13.847 5.171 -6.289 771 HA ARG 93 HA ARG 93 -14.054 5.690 -3.474 772 HB2 ARG 93 HB2 ARG 93 -16.195 5.646 -5.652 773 HB3 ARG 93 HB3 ARG 93 -16.420 6.277 -4.022 774 HG2 ARG 93 HG2 ARG 93 -14.930 8.108 -4.404 775 HG3 ARG 93 HG3 ARG 93 -14.309 7.383 -5.891 776 HD2 ARG 93 HD2 ARG 93 -15.771 9.178 -6.515 777 HD3 ARG 93 HD3 ARG 93 -16.589 7.668 -6.907 778 HE ARG 93 HE ARG 93 -17.996 7.994 -4.958 779 HH11 ARG 93 HH11 ARG 93 -16.163 10.830 -5.986 780 HH12 ARG 93 HH12 ARG 93 -17.240 11.952 -5.212 781 HH21 ARG 93 HH21 ARG 93 -19.411 9.482 -3.976 782 HH22 ARG 93 HH22 ARG 93 -19.083 11.183 -4.071 783 H LYS 94 H LYS 94 -15.092 3.064 -5.617 784 HA LYS 94 HA LYS 94 -16.710 1.721 -3.654 785 HB2 LYS 94 HB2 LYS 94 -15.547 0.758 -6.295 786 HB3 LYS 94 HB3 LYS 94 -16.608 -0.223 -5.283 787 HG2 LYS 94 HG2 LYS 94 -18.383 1.495 -5.495 788 HG3 LYS 94 HG3 LYS 94 -17.329 2.436 -6.557 789 HD2 LYS 94 HD2 LYS 94 -17.312 0.575 -8.187 790 HD3 LYS 94 HD3 LYS 94 -18.344 -0.378 -7.118 791 HE2 LYS 94 HE2 LYS 94 -20.107 1.377 -7.330 792 HE3 LYS 94 HE3 LYS 94 -19.075 2.230 -8.483 793 HZ1 LYS 94 HZ1 LYS 94 -20.704 0.881 -9.610 794 HZ2 LYS 94 HZ2 LYS 94 -20.166 -0.511 -8.816 795 HZ3 LYS 94 HZ3 LYS 94 -19.156 0.278 -9.918 796 H GLY 95 H GLY 95 -13.374 1.308 -4.851 797 HA2 GLY 95 HA2 GLY 95 -12.637 -0.820 -3.110 798 HA3 GLY 95 HA3 GLY 95 -11.544 0.310 -3.887 799 H TYR 96 H TYR 96 -12.727 2.674 -2.762 800 HA TYR 96 HA TYR 96 -11.139 3.065 -0.485 801 HB2 TYR 96 HB2 TYR 96 -11.803 4.919 -1.942 802 HB3 TYR 96 HB3 TYR 96 -13.495 4.656 -1.579 803 HD1 TYR 96 HD2 TYR 96 -10.293 5.442 0.281 804 HD2 TYR 96 HD1 TYR 96 -14.484 6.183 -0.103 805 HE1 TYR 96 HE2 TYR 96 -10.157 7.156 2.035 806 HE2 TYR 96 HE1 TYR 96 -14.344 7.898 1.653 807 HH TYR 96 HH TYR 96 -11.432 9.184 2.760 808 H GLU 97 H GLU 97 -14.677 2.942 -0.765 809 HA GLU 97 HA GLU 97 -15.118 3.010 2.035 810 HB2 GLU 97 HB2 GLU 97 -16.966 2.398 -0.305 811 HB3 GLU 97 HB3 GLU 97 -17.521 2.525 1.361 812 HG2 GLU 97 HG2 GLU 97 -16.082 4.768 -0.086 813 HG3 GLU 97 HG3 GLU 97 -17.833 4.596 -0.054 814 H ASP 98 H ASP 98 -14.759 0.393 -0.291 815 HA ASP 98 HA ASP 98 -15.955 -1.702 1.185 816 HB2 ASP 98 HB2 ASP 98 -15.465 -1.912 -1.238 817 HB3 ASP 98 HB3 ASP 98 -13.740 -1.867 -0.910 818 H LYS 99 H LYS 99 -12.491 -0.756 0.927 819 HA LYS 99 HA LYS 99 -11.683 -2.707 2.914 820 HB2 LYS 99 HB2 LYS 99 -10.181 -0.565 1.375 821 HB3 LYS 99 HB3 LYS 99 -9.415 -1.402 2.717 822 HG2 LYS 99 HG2 LYS 99 -8.727 -2.439 0.653 823 HG3 LYS 99 HG3 LYS 99 -9.761 -3.572 1.527 824 HD2 LYS 99 HD2 LYS 99 -11.673 -2.902 0.060 825 HD3 LYS 99 HD3 LYS 99 -10.592 -1.833 -0.835 826 HE2 LYS 99 HE2 LYS 99 -9.283 -3.733 -1.617 827 HE3 LYS 99 HE3 LYS 99 -10.215 -4.842 -0.601 828 HZ1 LYS 99 HZ1 LYS 99 -12.210 -4.194 -1.884 829 HZ2 LYS 99 HZ2 LYS 99 -11.036 -4.966 -2.823 830 HZ3 LYS 99 HZ3 LYS 99 -11.224 -3.290 -2.924 831 H LYS 100 H LYS 100 -12.512 0.709 2.910 832 HA LYS 100 HA LYS 100 -11.294 1.489 5.353 833 HB2 LYS 100 HB2 LYS 100 -11.977 3.065 3.576 834 HB3 LYS 100 HB3 LYS 100 -13.669 2.708 3.891 835 HG2 LYS 100 HG2 LYS 100 -13.444 3.696 6.148 836 HG3 LYS 100 HG3 LYS 100 -11.747 4.060 5.810 837 HD2 LYS 100 HD2 LYS 100 -12.409 5.561 3.966 838 HD3 LYS 100 HD3 LYS 100 -14.110 5.156 4.223 839 HE2 LYS 100 HE2 LYS 100 -12.311 6.576 6.217 840 HE3 LYS 100 HE3 LYS 100 -13.543 7.336 5.210 841 HZ1 LYS 100 HZ1 LYS 100 -14.328 6.909 7.468 842 HZ2 LYS 100 HZ2 LYS 100 -14.063 5.252 7.264 843 HZ3 LYS 100 HZ3 LYS 100 -15.232 6.044 6.333 844 H LYS 101 H LYS 101 -14.510 0.206 4.615 845 HA LYS 101 HA LYS 101 -15.591 0.472 7.275 846 HB2 LYS 101 HB2 LYS 101 -17.505 -0.774 6.444 847 HB3 LYS 101 HB3 LYS 101 -17.002 0.356 5.192 848 HG2 LYS 101 HG2 LYS 101 -15.785 -1.545 4.071 849 HG3 LYS 101 HG3 LYS 101 -16.514 -2.631 5.257 850 HD2 LYS 101 HD2 LYS 101 -18.778 -1.933 4.467 851 HD3 LYS 101 HD3 LYS 101 -18.015 -0.896 3.257 852 HE2 LYS 101 HE2 LYS 101 -18.704 -2.964 2.200 853 HE3 LYS 101 HE3 LYS 101 -16.942 -2.929 2.259 854 HZ1 LYS 101 HZ1 LYS 101 -17.030 -4.372 4.201 855 HZ2 LYS 101 HZ2 LYS 101 -17.814 -5.087 2.884 856 HZ3 LYS 101 HZ3 LYS 101 -18.716 -4.397 4.133 857 H LYS 102 H LYS 102 -13.366 -1.678 5.874 858 HA LYS 102 HA LYS 102 -13.763 -3.827 7.861 859 HB2 LYS 102 HB2 LYS 102 -11.888 -3.638 5.460 860 HB3 LYS 102 HB3 LYS 102 -12.124 -5.069 6.464 861 HG2 LYS 102 HG2 LYS 102 -14.409 -5.309 5.703 862 HG3 LYS 102 HG3 LYS 102 -14.337 -3.761 4.858 863 HD2 LYS 102 HD2 LYS 102 -12.581 -4.739 3.334 864 HD3 LYS 102 HD3 LYS 102 -12.816 -6.302 4.129 865 HE2 LYS 102 HE2 LYS 102 -15.198 -6.283 3.445 866 HE3 LYS 102 HE3 LYS 102 -14.952 -4.722 2.658 867 HZ1 LYS 102 HZ1 LYS 102 -14.911 -6.597 1.113 868 HZ2 LYS 102 HZ2 LYS 102 -13.553 -7.226 1.895 869 HZ3 LYS 102 HZ3 LYS 102 -13.459 -5.733 1.102 870 H GLY 103 H GLY 103 -12.422 -0.912 8.002 871 HA2 GLY 103 HA2 GLY 103 -11.138 -0.045 9.725 872 HA3 GLY 103 HA3 GLY 103 -10.576 -1.657 10.124 873 H TYR 104 H TYR 104 -10.118 -1.273 6.853 874 HA TYR 104 HA TYR 104 -7.259 -0.764 7.153 875 HB2 TYR 104 HB2 TYR 104 -8.775 -1.291 4.554 876 HB3 TYR 104 HB3 TYR 104 -7.058 -1.535 4.863 877 HD1 TYR 104 HD2 TYR 104 -7.150 -3.119 7.431 878 HD2 TYR 104 HD1 TYR 104 -9.568 -3.429 3.907 879 HE1 TYR 104 HE2 TYR 104 -7.600 -5.486 7.935 880 HE2 TYR 104 HE1 TYR 104 -10.001 -5.786 4.419 881 HH TYR 104 HH TYR 104 -9.227 -7.213 7.426 882 H ASP 105 H ASP 105 -6.582 1.330 7.109 883 HA ASP 105 HA ASP 105 -8.305 3.509 6.464 884 HB2 ASP 105 HB2 ASP 105 -6.424 3.462 8.211 885 HB3 ASP 105 HB3 ASP 105 -5.281 3.610 6.877 886 H VAL 106 H VAL 106 -8.832 3.944 4.324 887 HA VAL 106 HA VAL 106 -6.861 3.305 2.225 888 HB VAL 106 HB VAL 106 -9.830 3.937 1.845 889 HG11 VAL 106 HG11 VAL 106 -7.809 2.664 -0.048 890 HG12 VAL 106 HG12 VAL 106 -8.485 4.287 -0.194 891 HG13 VAL 106 HG13 VAL 106 -9.528 2.878 -0.378 892 HG21 VAL 106 HG21 VAL 106 -10.177 1.506 1.612 893 HG22 VAL 106 HG22 VAL 106 -9.601 1.931 3.225 894 HG23 VAL 106 HG23 VAL 106 -8.491 1.223 2.051 895 H TYR 107 H TYR 107 -5.915 4.837 1.045 896 HA TYR 107 HA TYR 107 -7.082 7.552 0.822 897 HB2 TYR 107 HB2 TYR 107 -4.213 6.607 0.334 898 HB3 TYR 107 HB3 TYR 107 -4.798 8.247 0.078 899 HD1 TYR 107 HD1 TYR 107 -5.606 9.593 2.100 900 HD2 TYR 107 HD2 TYR 107 -3.496 5.905 2.511 901 HE1 TYR 107 HE1 TYR 107 -5.068 10.157 4.430 902 HE2 TYR 107 HE2 TYR 107 -2.966 6.464 4.844 903 HH TYR 107 HH TYR 107 -4.468 8.951 6.536 904 H THR 108 H THR 108 -7.428 8.325 -1.269 905 HA THR 108 HA THR 108 -7.031 6.453 -3.537 906 HB THR 108 HB THR 108 -9.204 7.422 -4.486 907 HG1 THR 108 HG1 THR 108 -10.510 8.602 -3.190 908 HG21 THR 108 HG21 THR 108 -9.460 5.832 -1.906 909 HG22 THR 108 HG22 THR 108 -9.152 5.157 -3.508 910 HG23 THR 108 HG23 THR 108 -10.686 5.959 -3.170 911 H SER 109 H SER 109 -6.770 7.453 -5.587 912 HA SER 109 HA SER 109 -6.155 10.284 -5.788 913 HB2 SER 109 HB2 SER 109 -3.738 9.786 -6.436 914 HB3 SER 109 HB3 SER 109 -4.096 9.528 -4.733 915 HG SER 109 HG SER 109 -4.541 7.230 -5.603 916 H ARG 110 H ARG 110 -6.229 10.955 -7.920 917 HA ARG 110 HA ARG 110 -7.000 9.156 -10.008 918 HB2 ARG 110 HB2 ARG 110 -5.885 11.986 -10.257 919 HB3 ARG 110 HB3 ARG 110 -6.646 11.078 -11.556 920 HG2 ARG 110 HG2 ARG 110 -8.081 11.903 -9.022 921 HG3 ARG 110 HG3 ARG 110 -8.053 12.868 -10.492 922 HD2 ARG 110 HD2 ARG 110 -9.093 10.872 -11.692 923 HD3 ARG 110 HD3 ARG 110 -9.322 10.141 -10.094 924 HE ARG 110 HE ARG 110 -10.493 12.434 -9.638 925 HH11 ARG 110 HH11 ARG 110 -10.830 10.535 -12.580 926 HH12 ARG 110 HH12 ARG 110 -12.407 11.149 -12.928 927 HH21 ARG 110 HH21 ARG 110 -12.520 13.257 -10.149 928 HH22 ARG 110 HH22 ARG 110 -13.366 12.690 -11.554 929 H ASN 111 H ASN 111 -3.950 10.773 -9.029 930 HA ASN 111 HA ASN 111 -2.474 9.243 -11.098 931 HB2 ASN 111 HB2 ASN 111 -1.495 11.211 -12.056 932 HB3 ASN 111 HB3 ASN 111 -3.226 11.512 -11.996 933 HD21 ASN 111 HD21 ASN 111 -4.012 13.058 -10.466 934 HD22 ASN 111 HD22 ASN 111 -2.953 14.225 -9.753 935 H GLU 112 H GLU 112 -0.078 9.993 -10.942 936 HA GLU 112 HA GLU 112 1.049 8.799 -8.726 937 HB2 GLU 112 HB2 GLU 112 2.191 8.830 -10.822 938 HB3 GLU 112 HB3 GLU 112 2.194 10.578 -10.902 939 HG2 GLU 112 HG2 GLU 112 3.697 9.414 -8.604 940 HG3 GLU 112 HG3 GLU 112 4.353 9.055 -10.195 941 H ASP 113 H ASP 113 0.822 12.329 -9.399 942 HA ASP 113 HA ASP 113 2.440 13.246 -7.312 943 HB2 ASP 113 HB2 ASP 113 0.056 14.609 -8.631 944 HB3 ASP 113 HB3 ASP 113 1.142 15.429 -7.510 945 H GLU 114 H GLU 114 -1.021 12.640 -7.374 946 HA GLU 114 HA GLU 114 -1.604 13.511 -4.733 947 HB2 GLU 114 HB2 GLU 114 -3.160 11.737 -6.633 948 HB3 GLU 114 HB3 GLU 114 -3.811 12.448 -5.156 949 HG2 GLU 114 HG2 GLU 114 -3.461 14.698 -6.045 950 HG3 GLU 114 HG3 GLU 114 -2.738 14.031 -7.511 951 H ALA 115 H ALA 115 -1.036 10.368 -6.230 952 HA ALA 115 HA ALA 115 -1.584 8.647 -4.075 953 HB1 ALA 115 HB1 ALA 115 0.318 8.258 -6.412 954 HB2 ALA 115 HB2 ALA 115 -1.412 7.918 -6.417 955 HB3 ALA 115 HB3 ALA 115 -0.343 6.975 -5.383 956 H LYS 116 H LYS 116 1.272 10.424 -4.985 957 HA LYS 116 HA LYS 116 3.213 9.017 -3.423 958 HB2 LYS 116 HB2 LYS 116 3.709 10.233 -5.513 959 HB3 LYS 116 HB3 LYS 116 3.256 11.757 -4.762 960 HG2 LYS 116 HG2 LYS 116 5.188 11.748 -3.346 961 HG3 LYS 116 HG3 LYS 116 5.566 10.066 -3.738 962 HD2 LYS 116 HD2 LYS 116 5.617 12.369 -5.731 963 HD3 LYS 116 HD3 LYS 116 7.040 11.700 -4.931 964 HE2 LYS 116 HE2 LYS 116 6.721 9.554 -6.030 965 HE3 LYS 116 HE3 LYS 116 5.179 10.085 -6.713 966 HZ1 LYS 116 HZ1 LYS 116 6.333 11.685 -8.058 967 HZ2 LYS 116 HZ2 LYS 116 7.022 10.159 -8.304 968 HZ3 LYS 116 HZ3 LYS 116 7.819 11.295 -7.344 969 H LYS 117 H LYS 117 1.442 12.076 -3.075 970 HA LYS 117 HA LYS 117 2.570 12.847 -0.561 971 HB2 LYS 117 HB2 LYS 117 -0.033 13.691 -1.907 972 HB3 LYS 117 HB3 LYS 117 0.691 14.501 -0.516 973 HG2 LYS 117 HG2 LYS 117 2.646 15.124 -1.833 974 HG3 LYS 117 HG3 LYS 117 2.041 14.214 -3.220 975 HD2 LYS 117 HD2 LYS 117 0.060 15.773 -3.299 976 HD3 LYS 117 HD3 LYS 117 0.807 16.719 -2.007 977 HE2 LYS 117 HE2 LYS 117 2.767 17.139 -3.472 978 HE3 LYS 117 HE3 LYS 117 1.989 16.216 -4.760 979 HZ1 LYS 117 HZ1 LYS 117 0.163 17.850 -4.720 980 HZ2 LYS 117 HZ2 LYS 117 1.649 18.551 -5.111 981 HZ3 LYS 117 HZ3 LYS 117 1.003 18.754 -3.564 982 H LYS 118 H LYS 118 -0.203 10.920 -1.545 983 HA LYS 118 HA LYS 118 -1.305 10.562 1.091 984 HB2 LYS 118 HB2 LYS 118 -1.845 9.160 -1.552 985 HB3 LYS 118 HB3 LYS 118 -2.705 8.767 -0.065 986 HG2 LYS 118 HG2 LYS 118 -2.696 11.463 -1.456 987 HG3 LYS 118 HG3 LYS 118 -4.013 10.293 -1.478 988 HD2 LYS 118 HD2 LYS 118 -4.870 11.163 0.439 989 HD3 LYS 118 HD3 LYS 118 -3.365 10.862 1.299 990 HE2 LYS 118 HE2 LYS 118 -3.975 13.356 -0.335 991 HE3 LYS 118 HE3 LYS 118 -4.089 13.231 1.418 992 HZ1 LYS 118 HZ1 LYS 118 -1.602 12.912 -0.172 993 HZ2 LYS 118 HZ2 LYS 118 -1.704 12.795 1.513 994 HZ3 LYS 118 HZ3 LYS 118 -2.026 14.266 0.746 995 H LEU 119 H LEU 119 1.133 8.973 -0.813 996 HA LEU 119 HA LEU 119 1.350 6.602 0.789 997 HB2 LEU 119 HB2 LEU 119 2.184 7.184 -1.696 998 HB3 LEU 119 HB3 LEU 119 3.664 7.621 -0.867 999 HG LEU 119 HG LEU 119 2.352 4.879 -0.621 1000 HD11 LEU 119 HD11 LEU 119 3.994 4.030 -2.223 1001 HD12 LEU 119 HD12 LEU 119 4.589 5.669 -2.509 1002 HD13 LEU 119 HD13 LEU 119 2.937 5.236 -2.958 1003 HD21 LEU 119 HD21 LEU 119 5.166 5.767 0.065 1004 HD22 LEU 119 HD22 LEU 119 4.514 4.133 0.216 1005 HD23 LEU 119 HD23 LEU 119 3.872 5.429 1.217 1006 H LYS 120 H LYS 120 2.882 9.777 0.695 1007 HA LYS 120 HA LYS 120 4.817 9.494 2.699 1008 HB2 LYS 120 HB2 LYS 120 3.244 11.915 1.759 1009 HB3 LYS 120 HB3 LYS 120 4.492 12.028 2.996 1010 HG2 LYS 120 HG2 LYS 120 6.146 11.120 1.338 1011 HG3 LYS 120 HG3 LYS 120 4.874 11.183 0.107 1012 HD2 LYS 120 HD2 LYS 120 6.314 13.197 0.008 1013 HD3 LYS 120 HD3 LYS 120 4.650 13.614 0.427 1014 HE2 LYS 120 HE2 LYS 120 5.383 13.605 2.873 1015 HE3 LYS 120 HE3 LYS 120 7.042 13.469 2.293 1016 HZ1 LYS 120 HZ1 LYS 120 5.175 15.671 1.623 1017 HZ2 LYS 120 HZ2 LYS 120 6.797 15.557 1.168 1018 HZ3 LYS 120 HZ3 LYS 120 6.392 15.745 2.794 1019 H GLU 121 H GLU 121 1.320 10.058 2.929 1020 HA GLU 121 HA GLU 121 1.041 10.976 5.536 1021 HB2 GLU 121 HB2 GLU 121 -0.767 8.906 4.202 1022 HB3 GLU 121 HB3 GLU 121 -1.207 9.926 5.568 1023 HG2 GLU 121 HG2 GLU 121 -0.632 10.842 2.748 1024 HG3 GLU 121 HG3 GLU 121 -2.219 10.713 3.490 1025 H ALA 122 H ALA 122 1.104 7.631 4.383 1026 HA ALA 122 HA ALA 122 0.906 6.390 6.949 1027 HB1 ALA 122 HB1 ALA 122 1.151 4.310 5.667 1028 HB2 ALA 122 HB2 ALA 122 1.616 5.238 4.238 1029 HB3 ALA 122 HB3 ALA 122 -0.007 5.399 4.909 1030 H LEU 123 H LEU 123 3.593 7.161 4.777 1031 HA LEU 123 HA LEU 123 5.669 5.710 6.028 1032 HB2 LEU 123 HB2 LEU 123 5.744 8.349 4.507 1033 HB3 LEU 123 HB3 LEU 123 7.192 7.483 5.002 1034 HG LEU 123 HG LEU 123 5.085 6.393 3.092 1035 HD11 LEU 123 HD11 LEU 123 6.304 8.249 2.066 1036 HD12 LEU 123 HD12 LEU 123 6.731 6.716 1.307 1037 HD13 LEU 123 HD13 LEU 123 7.845 7.475 2.449 1038 HD21 LEU 123 HD21 LEU 123 6.194 4.605 4.330 1039 HD22 LEU 123 HD22 LEU 123 7.778 5.239 3.881 1040 HD23 LEU 123 HD23 LEU 123 6.699 4.593 2.641 1041 H GLU 124 H GLU 124 4.420 8.984 6.587 1042 HA GLU 124 HA GLU 124 6.261 9.570 8.729 1043 HB2 GLU 124 HB2 GLU 124 3.819 11.127 7.787 1044 HB3 GLU 124 HB3 GLU 124 5.052 11.710 8.904 1045 HG2 GLU 124 HG2 GLU 124 6.743 11.204 6.990 1046 HG3 GLU 124 HG3 GLU 124 5.327 11.126 5.950 1047 H LYS 125 H LYS 125 2.999 8.262 8.536 1048 HA LYS 125 HA LYS 125 2.310 8.569 11.295 1049 HB2 LYS 125 HB2 LYS 125 1.274 6.614 9.199 1050 HB3 LYS 125 HB3 LYS 125 0.625 6.703 10.825 1051 HG2 LYS 125 HG2 LYS 125 0.581 9.055 8.917 1052 HG3 LYS 125 HG3 LYS 125 -0.698 7.854 8.984 1053 HD2 LYS 125 HD2 LYS 125 -1.543 9.599 10.300 1054 HD3 LYS 125 HD3 LYS 125 -0.897 8.490 11.504 1055 HE2 LYS 125 HE2 LYS 125 1.108 9.912 11.734 1056 HE3 LYS 125 HE3 LYS 125 0.490 10.998 10.488 1057 HZ1 LYS 125 HZ1 LYS 125 -1.384 11.536 11.908 1058 HZ2 LYS 125 HZ2 LYS 125 0.066 11.835 12.726 1059 HZ3 LYS 125 HZ3 LYS 125 -0.842 10.460 13.099 1060 H SER 126 H SER 126 4.165 6.131 9.522 1061 HA SER 126 HA SER 126 4.255 4.211 11.675 1062 HB2 SER 126 HB2 SER 126 5.946 3.044 10.269 1063 HB3 SER 126 HB3 SER 126 4.517 3.484 9.334 1064 HG SER 126 HG SER 126 5.637 4.931 8.248 1065 H GLY 127 H GLY 127 6.132 6.979 10.737 1066 HA2 GLY 127 HA2 GLY 127 7.217 7.873 12.905 1067 HA3 GLY 127 HA3 GLY 127 8.212 6.429 12.769 1068 H SER 128 H SER 128 7.979 6.890 9.682 1069 HA SER 128 HA SER 128 10.518 8.218 9.448 1070 HB2 SER 128 HB2 SER 128 8.642 7.178 7.275 1071 HB3 SER 128 HB3 SER 128 10.330 7.642 7.040 1072 HG SER 128 HG SER 128 10.937 5.794 7.850 1073 H LEU 129 H LEU 129 9.871 10.263 10.345 1074 HA LEU 129 HA LEU 129 8.083 12.056 8.907 1075 HB2 LEU 129 HB2 LEU 129 9.899 12.460 11.317 1076 HB3 LEU 129 HB3 LEU 129 8.893 13.737 10.656 1077 HG LEU 129 HG LEU 129 7.819 11.140 11.826 1078 HD11 LEU 129 HD11 LEU 129 7.935 13.895 13.107 1079 HD12 LEU 129 HD12 LEU 129 8.870 12.474 13.586 1080 HD13 LEU 129 HD13 LEU 129 7.119 12.472 13.765 1081 HD21 LEU 129 HD21 LEU 129 5.635 12.281 11.778 1082 HD22 LEU 129 HD22 LEU 129 6.311 12.086 10.165 1083 HD23 LEU 129 HD23 LEU 129 6.371 13.662 10.957 1084 H GLU 130 H GLU 130 8.714 13.941 7.842 1085 HA GLU 130 HA GLU 130 11.531 14.306 7.052 1086 HB2 GLU 130 HB2 GLU 130 8.950 15.681 6.135 1087 HB3 GLU 130 HB3 GLU 130 10.551 16.077 5.526 1088 HG2 GLU 130 HG2 GLU 130 9.160 13.401 5.218 1089 HG3 GLU 130 HG3 GLU 130 9.309 14.636 3.968 1090 H HIS 131 H HIS 131 11.352 14.622 9.654 1091 HA HIS 131 HA HIS 131 11.876 15.913 11.431 1092 HB2 HIS 131 HB2 HIS 131 13.486 16.865 9.656 1093 HB3 HIS 131 HB3 HIS 131 12.356 18.196 9.448 1094 HD2 HIS 131 HD2 HIS 131 14.768 16.784 12.235 1095 HE1 HIS 131 HE1 HIS 131 13.916 20.856 13.002 1096 HE2 HIS 131 HE2 HIS 131 15.062 18.774 13.869 1097 H HIS 132 H HIS 132 11.299 18.649 12.056 1098 HA HIS 132 HA HIS 132 8.427 18.735 12.302 1099 HB2 HIS 132 HB2 HIS 132 10.670 20.584 13.209 1100 HB3 HIS 132 HB3 HIS 132 8.974 20.989 13.458 1101 HD2 HIS 132 HD2 HIS 132 7.738 19.730 15.552 1102 HE1 HIS 132 HE1 HIS 132 11.027 17.314 16.638 1103 HE2 HIS 132 HE2 HIS 132 8.788 18.238 17.382 1104 H HIS 133 H HIS 133 10.034 19.243 9.578 1105 HA HIS 133 HA HIS 133 8.942 21.764 8.721 1106 HB2 HIS 133 HB2 HIS 133 10.972 20.849 7.628 1107 HB3 HIS 133 HB3 HIS 133 10.044 19.478 7.026 1108 HD1 HIS 133 HD1 HIS 133 9.617 19.796 4.592 1109 HD2 HIS 133 HD2 HIS 133 9.441 23.404 6.651 1110 HE1 HIS 133 HE1 HIS 133 8.987 21.520 2.879 1111 HE2 HIS 133 HE2 HIS 133 9.082 23.709 4.109 1112 H HIS 134 H HIS 134 6.872 21.410 9.509 1113 HA HIS 134 HA HIS 134 4.962 20.581 7.462 1114 HB2 HIS 134 HB2 HIS 134 4.703 19.640 10.373 1115 HB3 HIS 134 HB3 HIS 134 3.444 19.489 9.152 1116 HD1 HIS 134 HD1 HIS 134 6.611 17.922 10.377 1117 HD2 HIS 134 HD2 HIS 134 3.870 17.389 7.293 1118 HE1 HIS 134 HE1 HIS 134 7.124 15.665 9.388 1119 HE2 HIS 134 HE2 HIS 134 5.439 15.369 7.554 1120 H HIS 135 H HIS 135 5.143 21.582 10.877 1121 HA HIS 135 HA HIS 135 4.904 24.369 10.260 1122 HB2 HIS 135 HB2 HIS 135 2.478 23.836 10.328 1123 HB3 HIS 135 HB3 HIS 135 2.668 23.080 11.906 1124 HD1 HIS 135 HD1 HIS 135 3.456 24.803 13.888 1125 HD2 HIS 135 HD2 HIS 135 1.906 26.548 10.444 1126 HE1 HIS 135 HE1 HIS 135 2.875 27.156 14.529 1127 HE2 HIS 135 HE2 HIS 135 1.780 28.126 12.484 1128 H HIS 136 H HIS 136 6.724 24.821 11.379 1129 HA HIS 136 HA HIS 136 7.088 23.884 14.136 1130 HB2 HIS 136 HB2 HIS 136 9.041 23.813 12.567 1131 HB3 HIS 136 HB3 HIS 136 8.935 25.560 12.360 1132 HD1 HIS 136 HD1 HIS 136 9.601 27.040 14.449 1133 HD2 HIS 136 HD2 HIS 136 10.341 22.971 14.893 1134 HE1 HIS 136 HE1 HIS 136 11.108 26.835 16.452 1135 HE2 HIS 136 HE2 HIS 136 11.600 24.382 16.644 Start of MODEL 20 1 H1 MET 1 H1 MET 1 3.499 -1.961 16.512 2 H2 MET 1 H2 MET 1 2.987 -0.633 15.607 3 H3 MET 1 H3 MET 1 3.759 -0.393 17.092 4 HA MET 1 HA MET 1 5.253 0.080 15.283 5 HB2 MET 1 HB2 MET 1 5.955 -2.524 16.703 6 HB3 MET 1 HB3 MET 1 7.109 -1.442 15.937 7 HG2 MET 1 HG2 MET 1 6.589 0.291 17.586 8 HG3 MET 1 HG3 MET 1 5.399 -0.768 18.338 9 HE1 MET 1 HE1 MET 1 6.994 -3.624 18.081 10 HE2 MET 1 HE2 MET 1 6.083 -3.136 19.512 11 HE3 MET 1 HE3 MET 1 7.751 -3.673 19.673 12 H GLY 2 H GLY 2 5.388 -0.180 13.141 13 HA2 GLY 2 HA2 GLY 2 5.843 -1.492 11.175 14 HA3 GLY 2 HA3 GLY 2 4.956 -2.835 11.889 15 H VAL 3 H VAL 3 4.642 -1.097 9.349 16 HA VAL 3 HA VAL 3 1.722 -0.686 9.494 17 HB VAL 3 HB VAL 3 3.758 1.472 8.709 18 HG11 VAL 3 HG11 VAL 3 0.775 1.571 8.132 19 HG12 VAL 3 HG12 VAL 3 2.062 1.444 6.932 20 HG13 VAL 3 HG13 VAL 3 1.917 2.898 7.917 21 HG21 VAL 3 HG21 VAL 3 1.480 1.474 10.723 22 HG22 VAL 3 HG22 VAL 3 2.472 2.875 10.326 23 HG23 VAL 3 HG23 VAL 3 3.208 1.463 11.078 24 H VAL 4 H VAL 4 0.800 -1.586 7.665 25 HA VAL 4 HA VAL 4 2.605 -2.167 5.369 26 HB VAL 4 HB VAL 4 -0.017 -3.563 6.098 27 HG11 VAL 4 HG11 VAL 4 0.445 -3.639 3.687 28 HG12 VAL 4 HG12 VAL 4 0.651 -5.235 4.405 29 HG13 VAL 4 HG13 VAL 4 2.069 -4.267 3.994 30 HG21 VAL 4 HG21 VAL 4 1.382 -5.463 6.821 31 HG22 VAL 4 HG22 VAL 4 1.725 -4.021 7.778 32 HG23 VAL 4 HG23 VAL 4 2.843 -4.524 6.508 33 H ILE 5 H ILE 5 2.375 -0.753 3.825 34 HA ILE 5 HA ILE 5 -0.128 0.696 3.322 35 HB ILE 5 HB ILE 5 2.704 1.223 2.275 36 HG12 ILE 5 HG12 ILE 5 1.245 2.664 4.546 37 HG13 ILE 5 HG13 ILE 5 2.497 1.454 4.782 38 HG21 ILE 5 HG21 ILE 5 0.966 2.156 0.800 39 HG22 ILE 5 HG22 ILE 5 1.854 3.445 1.613 40 HG23 ILE 5 HG23 ILE 5 0.237 3.006 2.169 41 HD11 ILE 5 HD11 ILE 5 4.117 2.910 3.680 42 HD12 ILE 5 HD12 ILE 5 3.363 3.680 5.076 43 HD13 ILE 5 HD13 ILE 5 2.861 4.130 3.448 44 H LEU 6 H LEU 6 -1.385 -0.386 1.855 45 HA LEU 6 HA LEU 6 -0.213 -1.990 -0.326 46 HB2 LEU 6 HB2 LEU 6 -3.126 -1.655 0.482 47 HB3 LEU 6 HB3 LEU 6 -2.471 -2.910 -0.541 48 HG LEU 6 HG LEU 6 -1.858 -2.590 2.416 49 HD11 LEU 6 HD11 LEU 6 -3.763 -4.525 1.067 50 HD12 LEU 6 HD12 LEU 6 -4.192 -3.179 2.135 51 HD13 LEU 6 HD13 LEU 6 -3.289 -4.550 2.771 52 HD21 LEU 6 HD21 LEU 6 -1.173 -4.818 0.491 53 HD22 LEU 6 HD22 LEU 6 -0.878 -4.823 2.233 54 HD23 LEU 6 HD23 LEU 6 -0.051 -3.655 1.206 55 H VAL 7 H VAL 7 0.345 -0.587 -1.980 56 HA VAL 7 HA VAL 7 -1.543 1.532 -2.776 57 HB VAL 7 HB VAL 7 1.329 1.078 -3.738 58 HG11 VAL 7 HG11 VAL 7 1.175 3.375 -4.631 59 HG12 VAL 7 HG12 VAL 7 -0.507 3.483 -4.108 60 HG13 VAL 7 HG13 VAL 7 -0.047 2.335 -5.366 61 HG21 VAL 7 HG21 VAL 7 1.264 1.600 -1.338 62 HG22 VAL 7 HG22 VAL 7 0.264 3.021 -1.653 63 HG23 VAL 7 HG23 VAL 7 1.924 2.959 -2.252 64 H LEU 8 H LEU 8 -3.082 0.752 -4.084 65 HA LEU 8 HA LEU 8 -2.568 -1.329 -6.069 66 HB2 LEU 8 HB2 LEU 8 -5.099 0.120 -5.173 67 HB3 LEU 8 HB3 LEU 8 -5.078 -0.976 -6.543 68 HG LEU 8 HG LEU 8 -4.301 -2.809 -4.945 69 HD11 LEU 8 HD11 LEU 8 -5.100 -0.843 -2.790 70 HD12 LEU 8 HD12 LEU 8 -3.472 -1.446 -3.110 71 HD13 LEU 8 HD13 LEU 8 -4.725 -2.553 -2.558 72 HD21 LEU 8 HD21 LEU 8 -6.572 -3.269 -4.114 73 HD22 LEU 8 HD22 LEU 8 -6.587 -2.712 -5.782 74 HD23 LEU 8 HD23 LEU 8 -7.051 -1.609 -4.484 75 H THR 9 H THR 9 -1.423 -0.464 -7.766 76 HA THR 9 HA THR 9 -2.297 2.097 -8.999 77 HB THR 9 HB THR 9 -0.059 2.071 -10.116 78 HG1 THR 9 HG1 THR 9 -0.046 -0.504 -9.237 79 HG21 THR 9 HG21 THR 9 -0.224 3.190 -7.917 80 HG22 THR 9 HG22 THR 9 1.369 2.474 -8.153 81 HG23 THR 9 HG23 THR 9 0.186 1.673 -7.116 82 H GLY 10 H GLY 10 -3.137 2.070 -11.031 83 HA2 GLY 10 HA2 GLY 10 -4.061 -0.270 -12.276 84 HA3 GLY 10 HA3 GLY 10 -3.984 1.318 -13.026 85 H ASP 11 H ASP 11 -1.214 1.686 -12.887 86 HA ASP 11 HA ASP 11 -0.142 -0.307 -14.804 87 HB2 ASP 11 HB2 ASP 11 0.586 2.648 -14.501 88 HB3 ASP 11 HB3 ASP 11 1.305 1.532 -15.648 89 H GLU 12 H GLU 12 1.742 -1.278 -14.293 90 HA GLU 12 HA GLU 12 2.847 -1.176 -11.677 91 HB2 GLU 12 HB2 GLU 12 2.884 -3.202 -13.093 92 HB3 GLU 12 HB3 GLU 12 3.984 -2.418 -14.221 93 HG2 GLU 12 HG2 GLU 12 5.723 -2.331 -12.491 94 HG3 GLU 12 HG3 GLU 12 4.623 -3.056 -11.318 95 H ARG 13 H ARG 13 3.606 0.484 -14.669 96 HA ARG 13 HA ARG 13 6.109 1.580 -14.208 97 HB2 ARG 13 HB2 ARG 13 3.678 2.983 -15.416 98 HB3 ARG 13 HB3 ARG 13 5.332 3.567 -15.538 99 HG2 ARG 13 HG2 ARG 13 5.921 1.469 -16.775 100 HG3 ARG 13 HG3 ARG 13 4.212 1.033 -16.761 101 HD2 ARG 13 HD2 ARG 13 3.673 3.084 -18.028 102 HD3 ARG 13 HD3 ARG 13 5.386 3.534 -18.023 103 HE ARG 13 HE ARG 13 4.926 0.930 -19.143 104 HH11 ARG 13 HH11 ARG 13 4.902 4.375 -19.930 105 HH12 ARG 13 HH12 ARG 13 5.139 4.097 -21.627 106 HH21 ARG 13 HH21 ARG 13 5.183 0.598 -21.369 107 HH22 ARG 13 HH22 ARG 13 5.299 1.958 -22.443 108 H ILE 14 H ILE 14 2.936 2.745 -13.115 109 HA ILE 14 HA ILE 14 3.778 5.028 -11.697 110 HB ILE 14 HB ILE 14 1.286 3.336 -11.123 111 HG12 ILE 14 HG12 ILE 14 1.607 5.694 -13.050 112 HG13 ILE 14 HG13 ILE 14 1.385 4.014 -13.520 113 HG21 ILE 14 HG21 ILE 14 0.334 5.428 -10.189 114 HG22 ILE 14 HG22 ILE 14 1.860 6.261 -10.492 115 HG23 ILE 14 HG23 ILE 14 1.797 4.943 -9.322 116 HD11 ILE 14 HD11 ILE 14 -0.621 5.718 -12.055 117 HD12 ILE 14 HD12 ILE 14 -0.839 4.028 -12.519 118 HD13 ILE 14 HD13 ILE 14 -0.660 5.266 -13.761 119 H ALA 15 H ALA 15 3.093 1.681 -10.632 120 HA ALA 15 HA ALA 15 3.643 1.870 -7.913 121 HB1 ALA 15 HB1 ALA 15 4.052 -0.564 -7.988 122 HB2 ALA 15 HB2 ALA 15 4.192 -0.494 -9.747 123 HB3 ALA 15 HB3 ALA 15 2.657 -0.121 -8.963 124 H GLU 16 H GLU 16 5.880 1.495 -10.600 125 HA GLU 16 HA GLU 16 8.217 0.821 -9.089 126 HB2 GLU 16 HB2 GLU 16 7.909 0.117 -11.422 127 HB3 GLU 16 HB3 GLU 16 7.861 1.794 -11.957 128 HG2 GLU 16 HG2 GLU 16 10.203 2.089 -11.283 129 HG3 GLU 16 HG3 GLU 16 10.255 0.428 -10.700 130 H GLU 17 H GLU 17 7.021 3.844 -10.597 131 HA GLU 17 HA GLU 17 9.329 5.386 -9.803 132 HB2 GLU 17 HB2 GLU 17 8.097 7.340 -10.695 133 HB3 GLU 17 HB3 GLU 17 8.179 6.000 -11.828 134 HG2 GLU 17 HG2 GLU 17 5.793 5.406 -10.900 135 HG3 GLU 17 HG3 GLU 17 5.801 7.077 -10.339 136 H LEU 18 H LEU 18 6.148 4.786 -8.456 137 HA LEU 18 HA LEU 18 6.239 6.680 -6.341 138 HB2 LEU 18 HB2 LEU 18 4.767 4.031 -6.618 139 HB3 LEU 18 HB3 LEU 18 4.591 5.066 -5.214 140 HG LEU 18 HG LEU 18 3.735 5.696 -8.063 141 HD11 LEU 18 HD11 LEU 18 2.108 5.370 -5.520 142 HD12 LEU 18 HD12 LEU 18 2.233 4.202 -6.838 143 HD13 LEU 18 HD13 LEU 18 1.474 5.764 -7.122 144 HD21 LEU 18 HD21 LEU 18 3.630 7.574 -5.673 145 HD22 LEU 18 HD22 LEU 18 2.896 7.864 -7.252 146 HD23 LEU 18 HD23 LEU 18 4.647 7.757 -7.106 147 H ARG 19 H ARG 19 7.520 3.381 -6.699 148 HA ARG 19 HA ARG 19 8.347 2.837 -4.087 149 HB2 ARG 19 HB2 ARG 19 8.474 1.134 -5.864 150 HB3 ARG 19 HB3 ARG 19 9.714 2.057 -6.707 151 HG2 ARG 19 HG2 ARG 19 11.258 1.705 -4.792 152 HG3 ARG 19 HG3 ARG 19 10.011 0.776 -3.969 153 HD2 ARG 19 HD2 ARG 19 10.099 -0.943 -5.706 154 HD3 ARG 19 HD3 ARG 19 11.272 0.008 -6.624 155 HE ARG 19 HE ARG 19 11.772 -1.246 -3.983 156 HH11 ARG 19 HH11 ARG 19 13.023 -0.016 -7.024 157 HH12 ARG 19 HH12 ARG 19 14.648 -0.534 -6.713 158 HH21 ARG 19 HH21 ARG 19 13.935 -1.878 -3.555 159 HH22 ARG 19 HH22 ARG 19 15.160 -1.586 -4.745 160 H LYS 20 H LYS 20 9.969 4.625 -6.660 161 HA LYS 20 HA LYS 20 12.435 5.176 -5.444 162 HB2 LYS 20 HB2 LYS 20 10.875 6.886 -7.432 163 HB3 LYS 20 HB3 LYS 20 12.598 7.029 -7.103 164 HG2 LYS 20 HG2 LYS 20 13.040 4.859 -8.089 165 HG3 LYS 20 HG3 LYS 20 11.312 4.521 -8.221 166 HD2 LYS 20 HD2 LYS 20 12.272 5.146 -10.412 167 HD3 LYS 20 HD3 LYS 20 11.053 6.307 -9.887 168 HE2 LYS 20 HE2 LYS 20 12.820 7.870 -9.196 169 HE3 LYS 20 HE3 LYS 20 14.059 6.699 -9.663 170 HZ1 LYS 20 HZ1 LYS 20 13.284 6.850 -11.947 171 HZ2 LYS 20 HZ2 LYS 20 13.732 8.374 -11.368 172 HZ3 LYS 20 HZ3 LYS 20 12.094 7.970 -11.509 173 H GLU 21 H GLU 21 9.363 6.987 -5.428 174 HA GLU 21 HA GLU 21 10.196 9.232 -3.923 175 HB2 GLU 21 HB2 GLU 21 7.421 8.015 -4.264 176 HB3 GLU 21 HB3 GLU 21 7.727 9.562 -3.482 177 HG2 GLU 21 HG2 GLU 21 8.296 8.870 -6.371 178 HG3 GLU 21 HG3 GLU 21 7.008 9.911 -5.769 179 H VAL 22 H VAL 22 8.831 6.118 -2.959 180 HA VAL 22 HA VAL 22 8.474 6.579 -0.200 181 HB VAL 22 HB VAL 22 8.947 3.978 -1.741 182 HG11 VAL 22 HG11 VAL 22 9.566 3.590 0.589 183 HG12 VAL 22 HG12 VAL 22 8.043 2.779 0.230 184 HG13 VAL 22 HG13 VAL 22 8.043 4.291 1.143 185 HG21 VAL 22 HG21 VAL 22 6.371 5.179 -0.658 186 HG22 VAL 22 HG22 VAL 22 6.517 3.641 -1.514 187 HG23 VAL 22 HG23 VAL 22 6.866 5.155 -2.349 188 H GLN 23 H GLN 23 11.240 5.248 -2.046 189 HA GLN 23 HA GLN 23 12.738 4.503 0.290 190 HB2 GLN 23 HB2 GLN 23 13.663 4.698 -2.606 191 HB3 GLN 23 HB3 GLN 23 14.556 3.925 -1.302 192 HG2 GLN 23 HG2 GLN 23 11.863 3.032 -2.376 193 HG3 GLN 23 HG3 GLN 23 13.409 2.278 -2.726 194 HE21 GLN 23 HE21 GLN 23 10.971 2.793 -0.257 195 HE22 GLN 23 HE22 GLN 23 11.464 1.501 0.775 196 H LYS 24 H LYS 24 12.709 7.336 -1.817 197 HA LYS 24 HA LYS 24 15.120 8.543 -0.793 198 HB2 LYS 24 HB2 LYS 24 12.792 9.741 -2.347 199 HB3 LYS 24 HB3 LYS 24 14.245 10.640 -1.918 200 HG2 LYS 24 HG2 LYS 24 15.608 9.060 -3.254 201 HG3 LYS 24 HG3 LYS 24 14.138 8.198 -3.716 202 HD2 LYS 24 HD2 LYS 24 14.800 11.096 -4.368 203 HD3 LYS 24 HD3 LYS 24 14.824 9.742 -5.499 204 HE2 LYS 24 HE2 LYS 24 12.384 9.445 -5.192 205 HE3 LYS 24 HE3 LYS 24 12.362 10.805 -4.064 206 HZ1 LYS 24 HZ1 LYS 24 13.076 10.901 -6.936 207 HZ2 LYS 24 HZ2 LYS 24 13.189 12.212 -5.881 208 HZ3 LYS 24 HZ3 LYS 24 11.680 11.535 -6.227 209 H HIS 25 H HIS 25 11.645 8.913 -0.147 210 HA HIS 25 HA HIS 25 11.870 11.015 1.768 211 HB2 HIS 25 HB2 HIS 25 9.759 10.486 0.537 212 HB3 HIS 25 HB3 HIS 25 9.631 8.966 1.414 213 HD2 HIS 25 HD2 HIS 25 8.407 9.143 3.846 214 HE1 HIS 25 HE1 HIS 25 7.959 13.321 3.910 215 HE2 HIS 25 HE2 HIS 25 7.145 11.147 4.875 216 H ASP 26 H ASP 26 11.899 7.477 1.974 217 HA ASP 26 HA ASP 26 13.192 7.595 4.565 218 HB2 ASP 26 HB2 ASP 26 10.730 7.600 5.086 219 HB3 ASP 26 HB3 ASP 26 10.591 6.034 4.305 220 HA PRO 27 HA PRO 27 14.957 3.990 2.446 221 HB2 PRO 27 HB2 PRO 27 17.216 3.724 3.892 222 HB3 PRO 27 HB3 PRO 27 16.962 5.149 2.863 223 HG2 PRO 27 HG2 PRO 27 16.599 4.898 5.829 224 HG3 PRO 27 HG3 PRO 27 17.390 6.194 4.904 225 HD2 PRO 27 HD2 PRO 27 14.777 6.327 5.820 226 HD3 PRO 27 HD3 PRO 27 15.391 7.249 4.428 227 H ASN 28 H ASN 28 13.701 4.084 5.655 228 HA ASN 28 HA ASN 28 14.509 1.444 6.527 229 HB2 ASN 28 HB2 ASN 28 12.377 3.304 7.693 230 HB3 ASN 28 HB3 ASN 28 13.007 1.863 8.467 231 HD21 ASN 28 HD21 ASN 28 13.639 5.180 7.678 232 HD22 ASN 28 HD22 ASN 28 15.052 5.348 8.658 233 H VAL 29 H VAL 29 11.988 2.707 4.571 234 HA VAL 29 HA VAL 29 9.932 0.787 5.122 235 HB VAL 29 HB VAL 29 10.159 2.287 2.474 236 HG11 VAL 29 HG11 VAL 29 8.373 0.613 2.642 237 HG12 VAL 29 HG12 VAL 29 7.684 2.234 2.567 238 HG13 VAL 29 HG13 VAL 29 7.758 1.380 4.109 239 HG21 VAL 29 HG21 VAL 29 9.089 3.455 5.058 240 HG22 VAL 29 HG22 VAL 29 8.965 4.197 3.461 241 HG23 VAL 29 HG23 VAL 29 10.548 3.964 4.208 242 H LYS 30 H LYS 30 9.727 -1.250 4.337 243 HA LYS 30 HA LYS 30 11.402 -2.279 2.189 244 HB2 LYS 30 HB2 LYS 30 9.158 -3.530 3.842 245 HB3 LYS 30 HB3 LYS 30 10.014 -4.401 2.574 246 HG2 LYS 30 HG2 LYS 30 11.214 -3.285 5.125 247 HG3 LYS 30 HG3 LYS 30 10.929 -4.987 4.756 248 HD2 LYS 30 HD2 LYS 30 12.838 -3.154 3.256 249 HD3 LYS 30 HD3 LYS 30 13.301 -4.339 4.459 250 HE2 LYS 30 HE2 LYS 30 12.546 -6.165 3.047 251 HE3 LYS 30 HE3 LYS 30 11.903 -5.023 1.864 252 HZ1 LYS 30 HZ1 LYS 30 14.772 -5.289 2.592 253 HZ2 LYS 30 HZ2 LYS 30 14.132 -4.252 1.419 254 HZ3 LYS 30 HZ3 LYS 30 14.058 -5.923 1.201 255 H THR 31 H THR 31 10.598 -2.980 0.170 256 HA THR 31 HA THR 31 7.891 -2.053 -0.642 257 HB THR 31 HB THR 31 8.969 -1.228 -2.852 258 HG1 THR 31 HG1 THR 31 11.129 -2.178 -1.920 259 HG21 THR 31 HG21 THR 31 8.049 0.371 -1.209 260 HG22 THR 31 HG22 THR 31 9.498 1.016 -1.982 261 HG23 THR 31 HG23 THR 31 9.588 0.372 -0.342 262 H VAL 32 H VAL 32 6.846 -3.560 -1.807 263 HA VAL 32 HA VAL 32 8.321 -5.742 -3.142 264 HB VAL 32 HB VAL 32 5.951 -6.281 -1.280 265 HG11 VAL 32 HG11 VAL 32 7.898 -8.185 -2.635 266 HG12 VAL 32 HG12 VAL 32 6.218 -7.904 -3.100 267 HG13 VAL 32 HG13 VAL 32 6.587 -8.647 -1.544 268 HG21 VAL 32 HG21 VAL 32 7.863 -5.549 0.094 269 HG22 VAL 32 HG22 VAL 32 8.888 -6.775 -0.656 270 HG23 VAL 32 HG23 VAL 32 7.515 -7.261 0.342 271 HA PRO 33 HA PRO 33 4.906 -4.718 -6.029 272 HB2 PRO 33 HB2 PRO 33 5.901 -5.901 -8.258 273 HB3 PRO 33 HB3 PRO 33 6.629 -4.421 -7.599 274 HG2 PRO 33 HG2 PRO 33 7.557 -7.253 -7.321 275 HG3 PRO 33 HG3 PRO 33 8.507 -5.785 -7.630 276 HD2 PRO 33 HD2 PRO 33 8.234 -6.954 -5.132 277 HD3 PRO 33 HD3 PRO 33 8.633 -5.242 -5.396 278 H THR 34 H THR 34 3.650 -6.092 -7.710 279 HA THR 34 HA THR 34 2.160 -8.085 -6.385 280 HB THR 34 HB THR 34 1.101 -8.434 -8.680 281 HG1 THR 34 HG1 THR 34 2.077 -6.317 -9.947 282 HG21 THR 34 HG21 THR 34 0.174 -6.751 -7.148 283 HG22 THR 34 HG22 THR 34 0.063 -6.214 -8.825 284 HG23 THR 34 HG23 THR 34 1.309 -5.549 -7.768 285 H LYS 35 H LYS 35 4.731 -8.311 -8.787 286 HA LYS 35 HA LYS 35 4.530 -11.080 -9.379 287 HB2 LYS 35 HB2 LYS 35 6.816 -10.822 -10.345 288 HB3 LYS 35 HB3 LYS 35 5.689 -9.590 -10.898 289 HG2 LYS 35 HG2 LYS 35 6.667 -7.919 -9.460 290 HG3 LYS 35 HG3 LYS 35 7.670 -9.119 -8.643 291 HD2 LYS 35 HD2 LYS 35 7.919 -8.298 -11.565 292 HD3 LYS 35 HD3 LYS 35 8.973 -7.773 -10.252 293 HE2 LYS 35 HE2 LYS 35 9.710 -10.082 -9.888 294 HE3 LYS 35 HE3 LYS 35 8.620 -10.643 -11.161 295 HZ1 LYS 35 HZ1 LYS 35 9.873 -9.180 -12.711 296 HZ2 LYS 35 HZ2 LYS 35 10.776 -10.462 -12.084 297 HZ3 LYS 35 HZ3 LYS 35 10.998 -8.899 -11.477 298 H ASP 36 H ASP 36 5.678 -9.512 -6.590 299 HA ASP 36 HA ASP 36 6.979 -11.988 -5.604 300 HB2 ASP 36 HB2 ASP 36 7.612 -9.087 -4.886 301 HB3 ASP 36 HB3 ASP 36 8.319 -10.489 -4.082 302 H LYS 37 H LYS 37 4.173 -11.380 -5.589 303 HA LYS 37 HA LYS 37 3.232 -10.434 -3.105 304 HB2 LYS 37 HB2 LYS 37 1.896 -10.741 -5.239 305 HB3 LYS 37 HB3 LYS 37 1.834 -12.460 -4.900 306 HG2 LYS 37 HG2 LYS 37 0.771 -10.474 -2.877 307 HG3 LYS 37 HG3 LYS 37 -0.200 -10.915 -4.277 308 HD2 LYS 37 HD2 LYS 37 -0.112 -13.289 -3.593 309 HD3 LYS 37 HD3 LYS 37 0.873 -12.848 -2.196 310 HE2 LYS 37 HE2 LYS 37 -0.981 -11.553 -1.262 311 HE3 LYS 37 HE3 LYS 37 -1.964 -11.876 -2.695 312 HZ1 LYS 37 HZ1 LYS 37 -2.573 -13.362 -0.916 313 HZ2 LYS 37 HZ2 LYS 37 -0.979 -13.892 -0.744 314 HZ3 LYS 37 HZ3 LYS 37 -1.842 -14.258 -2.152 315 H GLU 38 H GLU 38 4.401 -13.581 -4.099 316 HA GLU 38 HA GLU 38 3.617 -15.110 -1.825 317 HB2 GLU 38 HB2 GLU 38 6.000 -15.541 -3.676 318 HB3 GLU 38 HB3 GLU 38 5.266 -16.760 -2.637 319 HG2 GLU 38 HG2 GLU 38 3.214 -16.704 -3.948 320 HG3 GLU 38 HG3 GLU 38 3.841 -15.389 -4.938 321 H LYS 39 H LYS 39 6.273 -12.897 -2.415 322 HA LYS 39 HA LYS 39 7.815 -13.663 -0.074 323 HB2 LYS 39 HB2 LYS 39 8.136 -11.282 -1.965 324 HB3 LYS 39 HB3 LYS 39 9.276 -11.739 -0.702 325 HG2 LYS 39 HG2 LYS 39 9.646 -13.924 -1.873 326 HG3 LYS 39 HG3 LYS 39 8.587 -13.365 -3.171 327 HD2 LYS 39 HD2 LYS 39 10.132 -11.494 -3.647 328 HD3 LYS 39 HD3 LYS 39 11.178 -12.005 -2.320 329 HE2 LYS 39 HE2 LYS 39 10.582 -13.634 -4.819 330 HE3 LYS 39 HE3 LYS 39 12.062 -12.726 -4.506 331 HZ1 LYS 39 HZ1 LYS 39 12.409 -15.020 -3.997 332 HZ2 LYS 39 HZ2 LYS 39 11.069 -15.055 -2.970 333 HZ3 LYS 39 HZ3 LYS 39 12.428 -14.146 -2.551 334 H VAL 40 H VAL 40 5.179 -11.521 -0.761 335 HA VAL 40 HA VAL 40 5.658 -9.266 0.769 336 HB VAL 40 HB VAL 40 3.023 -10.626 0.045 337 HG11 VAL 40 HG11 VAL 40 3.315 -7.952 1.464 338 HG12 VAL 40 HG12 VAL 40 2.557 -9.411 2.112 339 HG13 VAL 40 HG13 VAL 40 1.821 -8.571 0.748 340 HG21 VAL 40 HG21 VAL 40 2.779 -8.756 -1.538 341 HG22 VAL 40 HG22 VAL 40 4.311 -9.592 -1.799 342 HG23 VAL 40 HG23 VAL 40 4.290 -8.046 -0.952 343 H LYS 41 H LYS 41 4.058 -12.285 1.855 344 HA LYS 41 HA LYS 41 3.299 -11.495 4.429 345 HB2 LYS 41 HB2 LYS 41 4.065 -14.246 3.379 346 HB3 LYS 41 HB3 LYS 41 3.412 -13.989 4.990 347 HG2 LYS 41 HG2 LYS 41 1.359 -12.974 3.885 348 HG3 LYS 41 HG3 LYS 41 2.004 -13.546 2.339 349 HD2 LYS 41 HD2 LYS 41 1.971 -15.872 3.164 350 HD3 LYS 41 HD3 LYS 41 1.434 -15.321 4.750 351 HE2 LYS 41 HE2 LYS 41 -0.668 -14.478 3.681 352 HE3 LYS 41 HE3 LYS 41 -0.132 -15.187 2.157 353 HZ1 LYS 41 HZ1 LYS 41 -0.584 -16.707 4.677 354 HZ2 LYS 41 HZ2 LYS 41 -0.158 -17.364 3.179 355 HZ3 LYS 41 HZ3 LYS 41 -1.667 -16.629 3.378 356 H GLU 42 H GLU 42 6.352 -12.857 3.283 357 HA GLU 42 HA GLU 42 7.623 -13.174 5.822 358 HB2 GLU 42 HB2 GLU 42 8.965 -12.858 3.101 359 HB3 GLU 42 HB3 GLU 42 9.648 -13.620 4.528 360 HG2 GLU 42 HG2 GLU 42 7.358 -14.651 2.842 361 HG3 GLU 42 HG3 GLU 42 8.992 -15.304 2.909 362 H GLU 43 H GLU 43 7.654 -10.663 3.326 363 HA GLU 43 HA GLU 43 9.667 -9.029 4.498 364 HB2 GLU 43 HB2 GLU 43 7.564 -8.342 2.411 365 HB3 GLU 43 HB3 GLU 43 8.977 -7.368 2.793 366 HG2 GLU 43 HG2 GLU 43 8.990 -10.141 1.581 367 HG3 GLU 43 HG3 GLU 43 9.333 -8.629 0.741 368 H ILE 44 H ILE 44 6.157 -9.143 4.829 369 HA ILE 44 HA ILE 44 5.765 -6.719 6.261 370 HB ILE 44 HB ILE 44 4.143 -9.321 6.269 371 HG12 ILE 44 HG12 ILE 44 3.570 -6.589 5.013 372 HG13 ILE 44 HG13 ILE 44 4.051 -8.039 4.144 373 HG21 ILE 44 HG21 ILE 44 2.340 -8.111 7.479 374 HG22 ILE 44 HG22 ILE 44 3.410 -6.725 7.679 375 HG23 ILE 44 HG23 ILE 44 3.805 -8.256 8.458 376 HD11 ILE 44 HD11 ILE 44 1.946 -9.116 4.798 377 HD12 ILE 44 HD12 ILE 44 1.691 -7.629 3.888 378 HD13 ILE 44 HD13 ILE 44 1.459 -7.639 5.635 379 H GLU 45 H GLU 45 6.383 -10.090 7.275 380 HA GLU 45 HA GLU 45 6.424 -9.739 10.058 381 HB2 GLU 45 HB2 GLU 45 6.350 -11.956 9.027 382 HB3 GLU 45 HB3 GLU 45 7.937 -11.728 8.301 383 HG2 GLU 45 HG2 GLU 45 8.929 -11.651 10.589 384 HG3 GLU 45 HG3 GLU 45 7.332 -11.967 11.265 385 H LYS 46 H LYS 46 8.988 -9.349 7.650 386 HA LYS 46 HA LYS 46 11.208 -8.995 9.387 387 HB2 LYS 46 HB2 LYS 46 10.740 -8.118 6.504 388 HB3 LYS 46 HB3 LYS 46 12.299 -8.015 7.318 389 HG2 LYS 46 HG2 LYS 46 12.438 -10.420 7.521 390 HG3 LYS 46 HG3 LYS 46 10.780 -10.609 6.946 391 HD2 LYS 46 HD2 LYS 46 12.407 -11.165 5.179 392 HD3 LYS 46 HD3 LYS 46 11.414 -9.781 4.731 393 HE2 LYS 46 HE2 LYS 46 13.286 -8.265 5.354 394 HE3 LYS 46 HE3 LYS 46 14.275 -9.677 5.750 395 HZ1 LYS 46 HZ1 LYS 46 14.021 -10.416 3.443 396 HZ2 LYS 46 HZ2 LYS 46 14.778 -8.912 3.537 397 HZ3 LYS 46 HZ3 LYS 46 13.154 -9.017 3.074 398 H ALA 47 H ALA 47 9.198 -6.620 7.615 399 HA ALA 47 HA ALA 47 10.450 -4.267 8.561 400 HB1 ALA 47 HB1 ALA 47 8.440 -3.106 7.705 401 HB2 ALA 47 HB2 ALA 47 7.603 -4.654 7.555 402 HB3 ALA 47 HB3 ALA 47 9.017 -4.311 6.557 403 H ARG 48 H ARG 48 7.596 -6.033 9.656 404 HA ARG 48 HA ARG 48 6.652 -4.388 11.725 405 HB2 ARG 48 HB2 ARG 48 5.342 -6.215 10.723 406 HB3 ARG 48 HB3 ARG 48 6.476 -7.415 11.334 407 HG2 ARG 48 HG2 ARG 48 5.803 -6.813 13.665 408 HG3 ARG 48 HG3 ARG 48 4.628 -5.673 13.004 409 HD2 ARG 48 HD2 ARG 48 3.526 -7.581 11.810 410 HD3 ARG 48 HD3 ARG 48 4.651 -8.685 12.600 411 HE ARG 48 HE ARG 48 2.414 -7.251 13.811 412 HH11 ARG 48 HH11 ARG 48 5.136 -9.388 14.324 413 HH12 ARG 48 HH12 ARG 48 4.567 -9.950 15.857 414 HH21 ARG 48 HH21 ARG 48 1.639 -8.007 15.796 415 HH22 ARG 48 HH22 ARG 48 2.569 -9.160 16.699 416 H LYS 49 H LYS 49 8.955 -7.066 11.751 417 HA LYS 49 HA LYS 49 9.421 -7.340 14.512 418 HB2 LYS 49 HB2 LYS 49 10.090 -8.959 12.698 419 HB3 LYS 49 HB3 LYS 49 11.372 -7.857 12.217 420 HG2 LYS 49 HG2 LYS 49 12.380 -8.133 14.503 421 HG3 LYS 49 HG3 LYS 49 11.148 -9.343 14.860 422 HD2 LYS 49 HD2 LYS 49 13.286 -9.501 12.704 423 HD3 LYS 49 HD3 LYS 49 13.219 -10.455 14.185 424 HE2 LYS 49 HE2 LYS 49 11.147 -11.541 13.382 425 HE3 LYS 49 HE3 LYS 49 11.226 -10.591 11.896 426 HZ1 LYS 49 HZ1 LYS 49 12.119 -12.801 11.570 427 HZ2 LYS 49 HZ2 LYS 49 13.243 -12.567 12.809 428 HZ3 LYS 49 HZ3 LYS 49 13.348 -11.652 11.393 429 H GLN 50 H GLN 50 10.752 -5.132 12.122 430 HA GLN 50 HA GLN 50 12.638 -3.930 14.039 431 HB2 GLN 50 HB2 GLN 50 12.225 -3.378 11.072 432 HB3 GLN 50 HB3 GLN 50 13.488 -2.681 12.076 433 HG2 GLN 50 HG2 GLN 50 13.199 -5.565 11.215 434 HG3 GLN 50 HG3 GLN 50 14.472 -4.433 10.776 435 HE21 GLN 50 HE21 GLN 50 13.313 -6.616 13.212 436 HE22 GLN 50 HE22 GLN 50 14.699 -6.538 14.237 437 H GLY 51 H GLY 51 9.435 -3.587 13.411 438 HA2 GLY 51 HA2 GLY 51 7.873 -1.995 13.947 439 HA3 GLY 51 HA3 GLY 51 9.155 -1.098 14.749 440 H ARG 52 H ARG 52 8.448 -2.015 11.387 441 HA ARG 52 HA ARG 52 8.886 0.758 10.485 442 HB2 ARG 52 HB2 ARG 52 10.443 -1.727 9.666 443 HB3 ARG 52 HB3 ARG 52 10.329 -0.341 8.581 444 HG2 ARG 52 HG2 ARG 52 11.358 1.102 10.262 445 HG3 ARG 52 HG3 ARG 52 11.421 -0.234 11.411 446 HD2 ARG 52 HD2 ARG 52 13.084 -1.381 10.109 447 HD3 ARG 52 HD3 ARG 52 12.840 -0.294 8.736 448 HE ARG 52 HE ARG 52 14.286 1.175 9.680 449 HH11 ARG 52 HH11 ARG 52 13.230 -0.909 12.321 450 HH12 ARG 52 HH12 ARG 52 14.306 -0.171 13.463 451 HH21 ARG 52 HH21 ARG 52 15.570 2.175 11.207 452 HH22 ARG 52 HH22 ARG 52 15.622 1.567 12.835 453 HA PRO 53 HA PRO 53 5.636 -0.206 7.584 454 HB2 PRO 53 HB2 PRO 53 6.031 1.663 5.658 455 HB3 PRO 53 HB3 PRO 53 5.536 2.109 7.304 456 HG2 PRO 53 HG2 PRO 53 8.291 2.148 6.111 457 HG3 PRO 53 HG3 PRO 53 7.468 3.405 7.065 458 HD2 PRO 53 HD2 PRO 53 9.247 1.666 8.175 459 HD3 PRO 53 HD3 PRO 53 7.868 2.330 9.079 460 H ILE 54 H ILE 54 5.172 -0.977 5.509 461 HA ILE 54 HA ILE 54 7.297 -1.602 3.608 462 HB ILE 54 HB ILE 54 7.209 -3.727 4.738 463 HG12 ILE 54 HG12 ILE 54 5.450 -3.840 2.241 464 HG13 ILE 54 HG13 ILE 54 7.202 -3.962 2.297 465 HG21 ILE 54 HG21 ILE 54 5.157 -4.973 5.287 466 HG22 ILE 54 HG22 ILE 54 4.178 -3.659 4.632 467 HG23 ILE 54 HG23 ILE 54 5.166 -3.385 6.066 468 HD11 ILE 54 HD11 ILE 54 6.978 -6.111 3.476 469 HD12 ILE 54 HD12 ILE 54 6.221 -6.103 1.886 470 HD13 ILE 54 HD13 ILE 54 5.223 -5.982 3.333 471 H VAL 55 H VAL 55 6.578 -0.743 1.739 472 HA VAL 55 HA VAL 55 3.722 -0.372 1.237 473 HB VAL 55 HB VAL 55 6.143 0.615 -0.358 474 HG11 VAL 55 HG11 VAL 55 4.513 2.050 -1.544 475 HG12 VAL 55 HG12 VAL 55 3.193 1.265 -0.673 476 HG13 VAL 55 HG13 VAL 55 4.187 0.335 -1.798 477 HG21 VAL 55 HG21 VAL 55 5.627 2.840 0.561 478 HG22 VAL 55 HG22 VAL 55 5.974 1.698 1.859 479 HG23 VAL 55 HG23 VAL 55 4.307 2.158 1.518 480 H VAL 56 H VAL 56 2.848 -2.189 0.561 481 HA VAL 56 HA VAL 56 4.066 -3.989 -1.380 482 HB VAL 56 HB VAL 56 1.274 -4.071 -0.098 483 HG11 VAL 56 HG11 VAL 56 1.275 -6.454 -0.789 484 HG12 VAL 56 HG12 VAL 56 2.824 -6.226 -1.603 485 HG13 VAL 56 HG13 VAL 56 1.390 -5.369 -2.176 486 HG21 VAL 56 HG21 VAL 56 3.013 -4.215 1.643 487 HG22 VAL 56 HG22 VAL 56 3.812 -5.529 0.779 488 HG23 VAL 56 HG23 VAL 56 2.199 -5.770 1.454 489 H PHE 57 H PHE 57 3.996 -3.253 -3.433 490 HA PHE 57 HA PHE 57 1.877 -1.592 -4.481 491 HB2 PHE 57 HB2 PHE 57 4.298 -2.899 -5.793 492 HB3 PHE 57 HB3 PHE 57 3.203 -1.784 -6.610 493 HD1 PHE 57 HD1 PHE 57 2.875 0.555 -5.523 494 HD2 PHE 57 HD2 PHE 57 6.189 -2.002 -4.621 495 HE1 PHE 57 HE1 PHE 57 4.134 2.484 -4.667 496 HE2 PHE 57 HE2 PHE 57 7.443 -0.058 -3.771 497 HZ PHE 57 HZ PHE 57 6.413 2.180 -3.789 498 H VAL 58 H VAL 58 0.045 -2.544 -4.683 499 HA VAL 58 HA VAL 58 -0.317 -5.163 -5.989 500 HB VAL 58 HB VAL 58 -2.308 -3.461 -4.392 501 HG11 VAL 58 HG11 VAL 58 -2.623 -6.305 -5.429 502 HG12 VAL 58 HG12 VAL 58 -3.462 -4.882 -6.048 503 HG13 VAL 58 HG13 VAL 58 -3.778 -5.445 -4.408 504 HG21 VAL 58 HG21 VAL 58 -2.049 -5.160 -2.601 505 HG22 VAL 58 HG22 VAL 58 -0.525 -4.343 -2.949 506 HG23 VAL 58 HG23 VAL 58 -0.807 -5.976 -3.560 507 H ARG 59 H ARG 59 -1.876 -5.242 -7.830 508 HA ARG 59 HA ARG 59 -1.907 -2.900 -9.510 509 HB2 ARG 59 HB2 ARG 59 -3.202 -5.626 -9.734 510 HB3 ARG 59 HB3 ARG 59 -3.572 -4.355 -10.892 511 HG2 ARG 59 HG2 ARG 59 -1.145 -4.214 -11.450 512 HG3 ARG 59 HG3 ARG 59 -0.850 -5.576 -10.363 513 HD2 ARG 59 HD2 ARG 59 -1.082 -6.118 -12.861 514 HD3 ARG 59 HD3 ARG 59 -2.045 -7.085 -11.745 515 HE ARG 59 HE ARG 59 -3.929 -6.295 -12.736 516 HH11 ARG 59 HH11 ARG 59 -1.374 -4.023 -13.641 517 HH12 ARG 59 HH12 ARG 59 -2.404 -3.135 -14.716 518 HH21 ARG 59 HH21 ARG 59 -5.253 -5.061 -14.087 519 HH22 ARG 59 HH22 ARG 59 -4.582 -3.721 -14.962 520 H GLY 60 H GLY 60 -3.655 -1.650 -10.131 521 HA2 GLY 60 HA2 GLY 60 -5.782 -1.133 -8.246 522 HA3 GLY 60 HA3 GLY 60 -5.470 -0.294 -9.765 523 H GLY 61 H GLY 61 -6.726 -3.250 -8.385 524 HA2 GLY 61 HA2 GLY 61 -8.994 -3.766 -9.696 525 HA3 GLY 61 HA3 GLY 61 -7.807 -4.245 -10.913 526 H ASP 62 H ASP 62 -5.888 -5.058 -8.706 527 HA ASP 62 HA ASP 62 -6.859 -7.755 -8.247 528 HB2 ASP 62 HB2 ASP 62 -4.248 -6.368 -7.538 529 HB3 ASP 62 HB3 ASP 62 -4.605 -8.009 -7.013 530 H ASP 63 H ASP 63 -8.721 -6.829 -7.063 531 HA ASP 63 HA ASP 63 -8.572 -5.939 -4.375 532 HB2 ASP 63 HB2 ASP 63 -10.632 -5.779 -5.771 533 HB3 ASP 63 HB3 ASP 63 -10.763 -7.532 -5.807 534 H GLU 64 H GLU 64 -8.326 -9.047 -5.907 535 HA GLU 64 HA GLU 64 -8.756 -10.857 -3.831 536 HB2 GLU 64 HB2 GLU 64 -8.367 -11.249 -6.391 537 HB3 GLU 64 HB3 GLU 64 -6.651 -11.241 -6.000 538 HG2 GLU 64 HG2 GLU 64 -7.106 -13.514 -5.935 539 HG3 GLU 64 HG3 GLU 64 -7.326 -13.089 -4.241 540 H ARG 65 H ARG 65 -5.721 -9.333 -4.945 541 HA ARG 65 HA ARG 65 -4.062 -10.432 -2.870 542 HB2 ARG 65 HB2 ARG 65 -3.595 -8.189 -4.890 543 HB3 ARG 65 HB3 ARG 65 -2.365 -8.735 -3.752 544 HG2 ARG 65 HG2 ARG 65 -2.425 -10.985 -4.737 545 HG3 ARG 65 HG3 ARG 65 -3.670 -10.470 -5.877 546 HD2 ARG 65 HD2 ARG 65 -2.145 -8.989 -6.997 547 HD3 ARG 65 HD3 ARG 65 -0.927 -9.181 -5.730 548 HE ARG 65 HE ARG 65 -1.003 -11.655 -6.483 549 HH11 ARG 65 HH11 ARG 65 -1.248 -8.915 -8.680 550 HH12 ARG 65 HH12 ARG 65 -0.539 -9.777 -10.011 551 HH21 ARG 65 HH21 ARG 65 -0.057 -12.748 -8.226 552 HH22 ARG 65 HH22 ARG 65 0.131 -11.939 -9.749 553 H ALA 66 H ALA 66 -5.708 -7.347 -3.394 554 HA ALA 66 HA ALA 66 -4.597 -5.811 -1.338 555 HB1 ALA 66 HB1 ALA 66 -6.567 -4.363 -1.592 556 HB2 ALA 66 HB2 ALA 66 -7.401 -5.631 -2.495 557 HB3 ALA 66 HB3 ALA 66 -5.954 -4.876 -3.165 558 H LYS 67 H LYS 67 -7.359 -8.046 -1.277 559 HA LYS 67 HA LYS 67 -8.250 -7.347 1.363 560 HB2 LYS 67 HB2 LYS 67 -9.936 -9.030 1.077 561 HB3 LYS 67 HB3 LYS 67 -9.705 -8.313 -0.511 562 HG2 LYS 67 HG2 LYS 67 -8.192 -10.256 -1.073 563 HG3 LYS 67 HG3 LYS 67 -8.673 -10.992 0.454 564 HD2 LYS 67 HD2 LYS 67 -11.064 -10.935 -0.373 565 HD3 LYS 67 HD3 LYS 67 -10.444 -10.379 -1.934 566 HE2 LYS 67 HE2 LYS 67 -9.072 -12.440 -2.105 567 HE3 LYS 67 HE3 LYS 67 -9.768 -13.014 -0.586 568 HZ1 LYS 67 HZ1 LYS 67 -11.352 -12.349 -2.996 569 HZ2 LYS 67 HZ2 LYS 67 -11.917 -13.093 -1.588 570 HZ3 LYS 67 HZ3 LYS 67 -10.841 -13.909 -2.604 571 H ASP 68 H ASP 68 -6.201 -9.910 0.003 572 HA ASP 68 HA ASP 68 -6.180 -11.569 2.333 573 HB2 ASP 68 HB2 ASP 68 -4.509 -11.577 -0.203 574 HB3 ASP 68 HB3 ASP 68 -4.245 -12.744 1.087 575 H ILE 69 H ILE 69 -3.842 -9.322 0.917 576 HA ILE 69 HA ILE 69 -1.791 -9.722 2.860 577 HB ILE 69 HB ILE 69 -2.223 -7.383 0.937 578 HG12 ILE 69 HG12 ILE 69 -0.475 -9.870 0.567 579 HG13 ILE 69 HG13 ILE 69 -2.056 -9.652 -0.173 580 HG21 ILE 69 HG21 ILE 69 0.216 -6.979 1.212 581 HG22 ILE 69 HG22 ILE 69 0.275 -8.236 2.447 582 HG23 ILE 69 HG23 ILE 69 -0.669 -6.773 2.726 583 HD11 ILE 69 HD11 ILE 69 -0.296 -9.216 -1.756 584 HD12 ILE 69 HD12 ILE 69 0.391 -7.977 -0.708 585 HD13 ILE 69 HD13 ILE 69 -1.201 -7.738 -1.435 586 H ALA 70 H ALA 70 -4.501 -7.476 2.550 587 HA ALA 70 HA ALA 70 -3.936 -5.785 4.767 588 HB1 ALA 70 HB1 ALA 70 -5.518 -5.224 2.942 589 HB2 ALA 70 HB2 ALA 70 -6.233 -5.045 4.538 590 HB3 ALA 70 HB3 ALA 70 -6.631 -6.448 3.543 591 H GLU 71 H GLU 71 -5.868 -8.744 4.409 592 HA GLU 71 HA GLU 71 -6.838 -9.082 7.032 593 HB2 GLU 71 HB2 GLU 71 -7.792 -10.467 5.353 594 HB3 GLU 71 HB3 GLU 71 -6.232 -10.935 4.702 595 HG2 GLU 71 HG2 GLU 71 -7.272 -12.850 5.721 596 HG3 GLU 71 HG3 GLU 71 -5.861 -12.393 6.665 597 H TYR 72 H TYR 72 -3.764 -10.047 5.546 598 HA TYR 72 HA TYR 72 -2.649 -11.450 7.728 599 HB2 TYR 72 HB2 TYR 72 -1.793 -11.393 5.316 600 HB3 TYR 72 HB3 TYR 72 -1.122 -9.804 5.644 601 HD1 TYR 72 HD2 TYR 72 0.856 -9.584 7.175 602 HD2 TYR 72 HD1 TYR 72 -0.756 -13.415 6.198 603 HE1 TYR 72 HE2 TYR 72 2.880 -10.663 8.055 604 HE2 TYR 72 HE1 TYR 72 1.265 -14.486 7.082 605 HH TYR 72 HH TYR 72 3.511 -12.872 8.990 606 H ALA 73 H ALA 73 -2.250 -8.104 6.646 607 HA ALA 73 HA ALA 73 -0.465 -7.195 8.601 608 HB1 ALA 73 HB1 ALA 73 -0.988 -4.974 7.695 609 HB2 ALA 73 HB2 ALA 73 -2.403 -5.636 6.873 610 HB3 ALA 73 HB3 ALA 73 -0.783 -6.159 6.404 611 H GLN 74 H GLN 74 -4.028 -7.160 8.541 612 HA GLN 74 HA GLN 74 -4.409 -5.314 10.689 613 HB2 GLN 74 HB2 GLN 74 -6.185 -5.865 8.994 614 HB3 GLN 74 HB3 GLN 74 -6.349 -7.466 9.708 615 HG2 GLN 74 HG2 GLN 74 -6.930 -6.300 11.896 616 HG3 GLN 74 HG3 GLN 74 -7.002 -4.796 10.987 617 HE21 GLN 74 HE21 GLN 74 -8.761 -4.476 9.564 618 HE22 GLN 74 HE22 GLN 74 -10.163 -5.475 9.589 619 H LYS 75 H LYS 75 -4.310 -8.846 10.464 620 HA LYS 75 HA LYS 75 -4.849 -9.319 13.268 621 HB2 LYS 75 HB2 LYS 75 -4.137 -11.121 10.931 622 HB3 LYS 75 HB3 LYS 75 -4.137 -11.752 12.576 623 HG2 LYS 75 HG2 LYS 75 -6.266 -12.246 11.459 624 HG3 LYS 75 HG3 LYS 75 -6.521 -11.159 12.827 625 HD2 LYS 75 HD2 LYS 75 -6.417 -9.244 11.066 626 HD3 LYS 75 HD3 LYS 75 -6.594 -10.524 9.865 627 HE2 LYS 75 HE2 LYS 75 -8.529 -9.962 12.108 628 HE3 LYS 75 HE3 LYS 75 -8.710 -9.414 10.446 629 HZ1 LYS 75 HZ1 LYS 75 -8.826 -11.691 9.720 630 HZ2 LYS 75 HZ2 LYS 75 -10.006 -11.407 10.896 631 HZ3 LYS 75 HZ3 LYS 75 -8.594 -12.249 11.295 632 H GLU 76 H GLU 76 -2.065 -8.632 11.395 633 HA GLU 76 HA GLU 76 -0.100 -9.393 13.390 634 HB2 GLU 76 HB2 GLU 76 0.066 -7.500 11.009 635 HB3 GLU 76 HB3 GLU 76 1.439 -7.888 12.033 636 HG2 GLU 76 HG2 GLU 76 -0.109 -9.918 10.405 637 HG3 GLU 76 HG3 GLU 76 1.383 -9.149 9.883 638 H GLY 77 H GLY 77 -2.386 -6.904 13.169 639 HA2 GLY 77 HA2 GLY 77 -2.961 -5.250 14.660 640 HA3 GLY 77 HA3 GLY 77 -1.551 -5.661 15.626 641 H LEU 78 H LEU 78 -1.578 -4.770 12.205 642 HA LEU 78 HA LEU 78 0.195 -2.472 12.803 643 HB2 LEU 78 HB2 LEU 78 -0.087 -3.986 10.172 644 HB3 LEU 78 HB3 LEU 78 1.123 -2.774 10.561 645 HG LEU 78 HG LEU 78 0.920 -5.594 11.660 646 HD11 LEU 78 HD11 LEU 78 3.144 -5.896 10.661 647 HD12 LEU 78 HD12 LEU 78 3.083 -4.255 10.015 648 HD13 LEU 78 HD13 LEU 78 1.929 -5.469 9.456 649 HD21 LEU 78 HD21 LEU 78 1.537 -4.151 13.520 650 HD22 LEU 78 HD22 LEU 78 2.839 -3.435 12.570 651 HD23 LEU 78 HD23 LEU 78 2.911 -5.136 13.025 652 H ARG 79 H ARG 79 -0.164 -0.480 11.755 653 HA ARG 79 HA ARG 79 -2.804 0.215 10.909 654 HB2 ARG 79 HB2 ARG 79 -0.142 1.660 10.950 655 HB3 ARG 79 HB3 ARG 79 -1.472 2.351 10.039 656 HG2 ARG 79 HG2 ARG 79 -1.255 3.378 12.254 657 HG3 ARG 79 HG3 ARG 79 -2.805 2.572 12.060 658 HD2 ARG 79 HD2 ARG 79 -0.482 1.236 13.482 659 HD3 ARG 79 HD3 ARG 79 -1.604 2.315 14.318 660 HE ARG 79 HE ARG 79 -3.245 0.542 13.086 661 HH11 ARG 79 HH11 ARG 79 -0.566 0.105 15.359 662 HH12 ARG 79 HH12 ARG 79 -1.226 -1.355 16.022 663 HH21 ARG 79 HH21 ARG 79 -4.042 -1.394 13.935 664 HH22 ARG 79 HH22 ARG 79 -3.191 -2.197 15.215 665 H VAL 80 H VAL 80 -3.669 -0.272 8.983 666 HA VAL 80 HA VAL 80 -1.913 -0.976 6.714 667 HB VAL 80 HB VAL 80 -4.885 -1.597 7.026 668 HG11 VAL 80 HG11 VAL 80 -4.120 -1.635 4.707 669 HG12 VAL 80 HG12 VAL 80 -4.495 -3.271 5.249 670 HG13 VAL 80 HG13 VAL 80 -2.813 -2.748 5.125 671 HG21 VAL 80 HG21 VAL 80 -3.680 -2.698 8.861 672 HG22 VAL 80 HG22 VAL 80 -2.559 -3.431 7.714 673 HG23 VAL 80 HG23 VAL 80 -4.264 -3.893 7.700 674 H ILE 81 H ILE 81 -1.693 0.615 5.263 675 HA ILE 81 HA ILE 81 -3.837 2.636 4.914 676 HB ILE 81 HB ILE 81 -0.803 2.893 4.633 677 HG12 ILE 81 HG12 ILE 81 -1.156 4.984 6.026 678 HG13 ILE 81 HG13 ILE 81 -2.857 4.575 6.160 679 HG21 ILE 81 HG21 ILE 81 -1.685 3.841 2.572 680 HG22 ILE 81 HG22 ILE 81 -1.147 5.151 3.619 681 HG23 ILE 81 HG23 ILE 81 -2.868 4.799 3.466 682 HD11 ILE 81 HD11 ILE 81 -1.610 4.030 8.177 683 HD12 ILE 81 HD12 ILE 81 -0.565 2.948 7.255 684 HD13 ILE 81 HD13 ILE 81 -2.281 2.578 7.433 685 H VAL 82 H VAL 82 -4.980 2.208 3.105 686 HA VAL 82 HA VAL 82 -3.709 0.752 0.858 687 HB VAL 82 HB VAL 82 -6.681 1.258 1.442 688 HG11 VAL 82 HG11 VAL 82 -5.398 -0.534 -0.655 689 HG12 VAL 82 HG12 VAL 82 -6.270 0.971 -0.956 690 HG13 VAL 82 HG13 VAL 82 -7.126 -0.427 -0.307 691 HG21 VAL 82 HG21 VAL 82 -6.796 -1.121 2.115 692 HG22 VAL 82 HG22 VAL 82 -5.681 -0.221 3.144 693 HG23 VAL 82 HG23 VAL 82 -5.052 -1.283 1.881 694 H ILE 83 H ILE 83 -2.893 2.147 -0.670 695 HA ILE 83 HA ILE 83 -4.318 4.691 -1.266 696 HB ILE 83 HB ILE 83 -1.446 3.880 -1.961 697 HG12 ILE 83 HG12 ILE 83 -2.409 5.819 0.192 698 HG13 ILE 83 HG13 ILE 83 -1.835 4.188 0.500 699 HG21 ILE 83 HG21 ILE 83 -2.842 6.571 -2.286 700 HG22 ILE 83 HG22 ILE 83 -2.360 5.481 -3.590 701 HG23 ILE 83 HG23 ILE 83 -1.133 6.258 -2.592 702 HD11 ILE 83 HD11 ILE 83 0.371 4.806 -0.330 703 HD12 ILE 83 HD12 ILE 83 -0.151 5.822 1.013 704 HD13 ILE 83 HD13 ILE 83 -0.204 6.449 -0.633 705 H ILE 84 H ILE 84 -5.753 4.266 -2.876 706 HA ILE 84 HA ILE 84 -5.124 2.321 -4.997 707 HB ILE 84 HB ILE 84 -7.740 3.844 -4.532 708 HG12 ILE 84 HG12 ILE 84 -7.053 1.014 -3.603 709 HG13 ILE 84 HG13 ILE 84 -7.089 2.424 -2.551 710 HG21 ILE 84 HG21 ILE 84 -8.746 2.079 -5.941 711 HG22 ILE 84 HG22 ILE 84 -7.161 1.339 -6.162 712 HG23 ILE 84 HG23 ILE 84 -7.482 2.945 -6.817 713 HD11 ILE 84 HD11 ILE 84 -9.431 1.260 -4.036 714 HD12 ILE 84 HD12 ILE 84 -9.469 2.704 -3.017 715 HD13 ILE 84 HD13 ILE 84 -9.087 1.135 -2.312 716 H VAL 85 H VAL 85 -3.920 3.250 -6.584 717 HA VAL 85 HA VAL 85 -4.536 5.912 -7.644 718 HB VAL 85 HB VAL 85 -2.383 3.979 -8.645 719 HG11 VAL 85 HG11 VAL 85 -1.286 6.034 -9.475 720 HG12 VAL 85 HG12 VAL 85 -2.625 7.005 -8.861 721 HG13 VAL 85 HG13 VAL 85 -2.904 5.843 -10.159 722 HG21 VAL 85 HG21 VAL 85 -2.024 4.274 -6.241 723 HG22 VAL 85 HG22 VAL 85 -2.091 6.027 -6.416 724 HG23 VAL 85 HG23 VAL 85 -0.768 5.119 -7.151 725 H SER 86 H SER 86 -6.388 5.756 -8.793 726 HA SER 86 HA SER 86 -6.444 4.332 -11.324 727 HB2 SER 86 HB2 SER 86 -8.643 3.931 -9.227 728 HB3 SER 86 HB3 SER 86 -8.716 3.352 -10.891 729 HG SER 86 HG SER 86 -6.495 2.381 -9.954 730 H GLN 87 H GLN 87 -7.647 5.496 -12.817 731 HA GLN 87 HA GLN 87 -8.404 8.219 -12.134 732 HB2 GLN 87 HB2 GLN 87 -8.710 8.492 -14.592 733 HB3 GLN 87 HB3 GLN 87 -7.137 7.827 -14.178 734 HG2 GLN 87 HG2 GLN 87 -7.949 5.562 -14.780 735 HG3 GLN 87 HG3 GLN 87 -9.499 6.252 -15.247 736 HE21 GLN 87 HE21 GLN 87 -6.091 6.042 -16.068 737 HE22 GLN 87 HE22 GLN 87 -6.267 6.557 -17.707 738 H ASP 88 H ASP 88 -10.038 5.357 -11.970 739 HA ASP 88 HA ASP 88 -12.696 6.483 -12.599 740 HB2 ASP 88 HB2 ASP 88 -11.814 3.629 -11.989 741 HB3 ASP 88 HB3 ASP 88 -13.472 4.123 -12.322 742 H GLU 89 H GLU 89 -13.727 7.366 -10.981 743 HA GLU 89 HA GLU 89 -12.836 7.390 -8.295 744 HB2 GLU 89 HB2 GLU 89 -15.335 8.502 -9.635 745 HB3 GLU 89 HB3 GLU 89 -15.040 8.699 -7.908 746 HG2 GLU 89 HG2 GLU 89 -14.375 10.691 -9.172 747 HG3 GLU 89 HG3 GLU 89 -13.009 9.957 -8.346 748 H GLU 90 H GLU 90 -15.288 5.519 -9.940 749 HA GLU 90 HA GLU 90 -16.507 4.435 -7.570 750 HB2 GLU 90 HB2 GLU 90 -16.561 3.432 -10.450 751 HB3 GLU 90 HB3 GLU 90 -17.527 2.770 -9.135 752 HG2 GLU 90 HG2 GLU 90 -18.596 5.021 -8.844 753 HG3 GLU 90 HG3 GLU 90 -17.708 5.575 -10.262 754 H ALA 91 H ALA 91 -13.798 3.461 -9.653 755 HA ALA 91 HA ALA 91 -13.306 0.921 -8.401 756 HB1 ALA 91 HB1 ALA 91 -11.131 0.995 -9.574 757 HB2 ALA 91 HB2 ALA 91 -11.408 2.689 -9.993 758 HB3 ALA 91 HB3 ALA 91 -12.454 1.431 -10.656 759 H LEU 92 H LEU 92 -12.184 4.223 -7.880 760 HA LEU 92 HA LEU 92 -10.359 3.795 -5.761 761 HB2 LEU 92 HB2 LEU 92 -12.152 6.197 -6.359 762 HB3 LEU 92 HB3 LEU 92 -10.861 6.210 -5.173 763 HG LEU 92 HG LEU 92 -10.493 5.873 -8.174 764 HD11 LEU 92 HD11 LEU 92 -9.462 8.104 -8.132 765 HD12 LEU 92 HD12 LEU 92 -9.832 8.260 -6.414 766 HD13 LEU 92 HD13 LEU 92 -11.140 8.168 -7.595 767 HD21 LEU 92 HD21 LEU 92 -8.792 4.632 -6.948 768 HD22 LEU 92 HD22 LEU 92 -8.397 6.067 -5.995 769 HD23 LEU 92 HD23 LEU 92 -8.091 6.046 -7.732 770 H ARG 93 H ARG 93 -13.852 4.344 -5.875 771 HA ARG 93 HA ARG 93 -14.215 4.809 -3.082 772 HB2 ARG 93 HB2 ARG 93 -15.615 5.783 -4.944 773 HB3 ARG 93 HB3 ARG 93 -16.334 4.196 -5.187 774 HG2 ARG 93 HG2 ARG 93 -17.272 4.274 -2.902 775 HG3 ARG 93 HG3 ARG 93 -16.530 5.858 -2.650 776 HD2 ARG 93 HD2 ARG 93 -17.883 6.773 -4.526 777 HD3 ARG 93 HD3 ARG 93 -18.642 5.189 -4.732 778 HE ARG 93 HE ARG 93 -19.007 5.971 -2.068 779 HH11 ARG 93 HH11 ARG 93 -20.060 7.020 -5.276 780 HH12 ARG 93 HH12 ARG 93 -21.554 7.687 -4.698 781 HH21 ARG 93 HH21 ARG 93 -20.988 6.840 -1.346 782 HH22 ARG 93 HH22 ARG 93 -22.075 7.585 -2.472 783 H LYS 94 H LYS 94 -14.766 2.000 -5.200 784 HA LYS 94 HA LYS 94 -16.186 0.390 -3.353 785 HB2 LYS 94 HB2 LYS 94 -14.577 -0.292 -5.838 786 HB3 LYS 94 HB3 LYS 94 -15.280 -1.565 -4.847 787 HG2 LYS 94 HG2 LYS 94 -17.534 -0.560 -5.198 788 HG3 LYS 94 HG3 LYS 94 -16.809 0.647 -6.264 789 HD2 LYS 94 HD2 LYS 94 -16.126 -1.083 -7.844 790 HD3 LYS 94 HD3 LYS 94 -16.664 -2.359 -6.745 791 HE2 LYS 94 HE2 LYS 94 -18.286 -2.007 -8.551 792 HE3 LYS 94 HE3 LYS 94 -18.997 -1.595 -6.991 793 HZ1 LYS 94 HZ1 LYS 94 -18.600 0.733 -7.473 794 HZ2 LYS 94 HZ2 LYS 94 -19.544 0.031 -8.687 795 HZ3 LYS 94 HZ3 LYS 94 -17.909 0.344 -8.964 796 H GLY 95 H GLY 95 -12.704 0.628 -4.090 797 HA2 GLY 95 HA2 GLY 95 -11.879 -1.249 -2.063 798 HA3 GLY 95 HA3 GLY 95 -10.860 -0.109 -2.922 799 H TYR 96 H TYR 96 -12.598 2.176 -2.147 800 HA TYR 96 HA TYR 96 -11.064 3.003 0.073 801 HB2 TYR 96 HB2 TYR 96 -11.790 4.628 -1.574 802 HB3 TYR 96 HB3 TYR 96 -13.482 4.280 -1.248 803 HD1 TYR 96 HD2 TYR 96 -10.390 5.681 0.353 804 HD2 TYR 96 HD1 TYR 96 -14.665 5.621 0.346 805 HE1 TYR 96 HE2 TYR 96 -10.424 7.530 1.960 806 HE2 TYR 96 HE1 TYR 96 -14.690 7.474 1.960 807 HH TYR 96 HH TYR 96 -12.036 9.376 2.597 808 H GLU 97 H GLU 97 -14.598 2.511 -0.193 809 HA GLU 97 HA GLU 97 -15.012 2.980 2.596 810 HB2 GLU 97 HB2 GLU 97 -16.949 1.896 0.494 811 HB3 GLU 97 HB3 GLU 97 -17.389 2.371 2.133 812 HG2 GLU 97 HG2 GLU 97 -16.532 4.701 1.601 813 HG3 GLU 97 HG3 GLU 97 -16.344 4.167 -0.067 814 H ASP 98 H ASP 98 -14.767 0.082 0.578 815 HA ASP 98 HA ASP 98 -15.726 -1.844 2.390 816 HB2 ASP 98 HB2 ASP 98 -15.350 -2.351 -0.004 817 HB3 ASP 98 HB3 ASP 98 -13.613 -2.160 0.205 818 H LYS 99 H LYS 99 -12.362 -0.826 1.734 819 HA LYS 99 HA LYS 99 -11.194 -2.466 3.774 820 HB2 LYS 99 HB2 LYS 99 -10.160 -0.316 1.909 821 HB3 LYS 99 HB3 LYS 99 -9.159 -0.804 3.268 822 HG2 LYS 99 HG2 LYS 99 -8.518 -1.983 1.210 823 HG3 LYS 99 HG3 LYS 99 -9.088 -3.110 2.443 824 HD2 LYS 99 HD2 LYS 99 -11.320 -3.147 1.282 825 HD3 LYS 99 HD3 LYS 99 -10.630 -2.139 0.010 826 HE2 LYS 99 HE2 LYS 99 -9.082 -3.898 -0.628 827 HE3 LYS 99 HE3 LYS 99 -9.553 -4.875 0.771 828 HZ1 LYS 99 HZ1 LYS 99 -11.334 -4.122 -1.491 829 HZ2 LYS 99 HZ2 LYS 99 -11.784 -5.050 -0.151 830 HZ3 LYS 99 HZ3 LYS 99 -10.643 -5.643 -1.246 831 H LYS 100 H LYS 100 -12.347 0.848 3.618 832 HA LYS 100 HA LYS 100 -11.259 1.839 6.040 833 HB2 LYS 100 HB2 LYS 100 -12.076 3.316 4.293 834 HB3 LYS 100 HB3 LYS 100 -13.706 2.670 4.430 835 HG2 LYS 100 HG2 LYS 100 -14.017 3.726 6.576 836 HG3 LYS 100 HG3 LYS 100 -12.316 4.200 6.648 837 HD2 LYS 100 HD2 LYS 100 -12.606 5.748 4.779 838 HD3 LYS 100 HD3 LYS 100 -14.259 5.186 4.518 839 HE2 LYS 100 HE2 LYS 100 -13.295 6.573 7.039 840 HE3 LYS 100 HE3 LYS 100 -14.142 7.363 5.713 841 HZ1 LYS 100 HZ1 LYS 100 -15.216 5.160 7.381 842 HZ2 LYS 100 HZ2 LYS 100 -16.033 5.899 6.101 843 HZ3 LYS 100 HZ3 LYS 100 -15.652 6.787 7.487 844 H LYS 101 H LYS 101 -14.175 -0.068 5.377 845 HA LYS 101 HA LYS 101 -15.422 0.124 7.925 846 HB2 LYS 101 HB2 LYS 101 -15.469 -2.151 5.889 847 HB3 LYS 101 HB3 LYS 101 -16.526 -2.069 7.298 848 HG2 LYS 101 HG2 LYS 101 -17.604 -0.070 6.453 849 HG3 LYS 101 HG3 LYS 101 -16.458 0.025 5.117 850 HD2 LYS 101 HD2 LYS 101 -17.331 -2.207 4.302 851 HD3 LYS 101 HD3 LYS 101 -18.577 -2.113 5.552 852 HE2 LYS 101 HE2 LYS 101 -18.173 -0.120 3.298 853 HE3 LYS 101 HE3 LYS 101 -19.422 -1.360 3.365 854 HZ1 LYS 101 HZ1 LYS 101 -19.144 0.967 5.183 855 HZ2 LYS 101 HZ2 LYS 101 -20.287 -0.259 5.376 856 HZ3 LYS 101 HZ3 LYS 101 -20.338 0.734 4.012 857 H LYS 102 H LYS 102 -12.849 -1.961 6.689 858 HA LYS 102 HA LYS 102 -12.543 -3.558 9.069 859 HB2 LYS 102 HB2 LYS 102 -10.726 -3.071 6.681 860 HB3 LYS 102 HB3 LYS 102 -10.241 -4.080 8.035 861 HG2 LYS 102 HG2 LYS 102 -10.947 -5.587 6.397 862 HG3 LYS 102 HG3 LYS 102 -12.296 -5.516 7.528 863 HD2 LYS 102 HD2 LYS 102 -13.536 -4.064 6.012 864 HD3 LYS 102 HD3 LYS 102 -12.156 -3.982 4.910 865 HE2 LYS 102 HE2 LYS 102 -12.345 -6.390 4.467 866 HE3 LYS 102 HE3 LYS 102 -13.688 -6.511 5.609 867 HZ1 LYS 102 HZ1 LYS 102 -14.896 -4.904 4.171 868 HZ2 LYS 102 HZ2 LYS 102 -14.586 -6.391 3.434 869 HZ3 LYS 102 HZ3 LYS 102 -13.655 -5.038 3.034 870 H GLY 103 H GLY 103 -11.672 -0.368 8.225 871 HA2 GLY 103 HA2 GLY 103 -10.966 1.234 9.805 872 HA3 GLY 103 HA3 GLY 103 -10.147 -0.019 10.720 873 H TYR 104 H TYR 104 -9.632 -0.177 7.343 874 HA TYR 104 HA TYR 104 -6.833 0.515 7.602 875 HB2 TYR 104 HB2 TYR 104 -8.387 -0.188 5.066 876 HB3 TYR 104 HB3 TYR 104 -6.636 -0.221 5.267 877 HD1 TYR 104 HD2 TYR 104 -6.836 -1.633 8.113 878 HD2 TYR 104 HD1 TYR 104 -8.491 -2.500 4.278 879 HE1 TYR 104 HE2 TYR 104 -6.953 -4.013 8.694 880 HE2 TYR 104 HE1 TYR 104 -8.615 -4.870 4.864 881 HH TYR 104 HH TYR 104 -7.514 -6.455 6.438 882 H ASP 105 H ASP 105 -5.957 2.493 7.124 883 HA ASP 105 HA ASP 105 -7.596 4.744 6.438 884 HB2 ASP 105 HB2 ASP 105 -4.552 4.509 6.515 885 HB3 ASP 105 HB3 ASP 105 -5.451 6.021 6.414 886 H VAL 106 H VAL 106 -8.454 4.723 4.377 887 HA VAL 106 HA VAL 106 -6.699 3.887 2.158 888 HB VAL 106 HB VAL 106 -9.721 4.299 1.968 889 HG11 VAL 106 HG11 VAL 106 -7.724 2.870 0.153 890 HG12 VAL 106 HG12 VAL 106 -8.540 4.397 -0.188 891 HG13 VAL 106 HG13 VAL 106 -9.470 2.904 -0.091 892 HG21 VAL 106 HG21 VAL 106 -8.223 1.699 2.488 893 HG22 VAL 106 HG22 VAL 106 -9.948 1.839 2.145 894 HG23 VAL 106 HG23 VAL 106 -9.286 2.532 3.624 895 H TYR 107 H TYR 107 -5.815 5.381 0.938 896 HA TYR 107 HA TYR 107 -6.985 8.068 0.647 897 HB2 TYR 107 HB2 TYR 107 -4.272 6.923 -0.162 898 HB3 TYR 107 HB3 TYR 107 -4.787 8.575 -0.475 899 HD1 TYR 107 HD1 TYR 107 -5.370 10.050 1.606 900 HD2 TYR 107 HD2 TYR 107 -3.131 6.424 1.872 901 HE1 TYR 107 HE1 TYR 107 -4.412 10.796 3.741 902 HE2 TYR 107 HE2 TYR 107 -2.175 7.170 4.014 903 HH TYR 107 HH TYR 107 -1.747 9.214 5.228 904 H THR 108 H THR 108 -7.747 8.729 -1.325 905 HA THR 108 HA THR 108 -7.804 6.824 -3.585 906 HB THR 108 HB THR 108 -9.730 8.262 -4.406 907 HG1 THR 108 HG1 THR 108 -10.451 9.418 -2.115 908 HG21 THR 108 HG21 THR 108 -11.407 7.429 -2.799 909 HG22 THR 108 HG22 THR 108 -10.135 7.077 -1.628 910 HG23 THR 108 HG23 THR 108 -10.206 6.185 -3.150 911 H SER 109 H SER 109 -6.719 7.360 -5.405 912 HA SER 109 HA SER 109 -5.841 10.108 -5.932 913 HB2 SER 109 HB2 SER 109 -3.494 9.235 -6.425 914 HB3 SER 109 HB3 SER 109 -3.936 9.243 -4.722 915 HG SER 109 HG SER 109 -4.654 6.899 -5.618 916 H ARG 110 H ARG 110 -5.872 10.593 -8.039 917 HA ARG 110 HA ARG 110 -6.870 8.623 -9.943 918 HB2 ARG 110 HB2 ARG 110 -6.390 11.623 -10.092 919 HB3 ARG 110 HB3 ARG 110 -6.754 10.694 -11.537 920 HG2 ARG 110 HG2 ARG 110 -8.802 11.675 -10.799 921 HG3 ARG 110 HG3 ARG 110 -8.906 9.954 -10.439 922 HD2 ARG 110 HD2 ARG 110 -8.378 10.421 -8.065 923 HD3 ARG 110 HD3 ARG 110 -8.253 12.147 -8.434 924 HE ARG 110 HE ARG 110 -10.779 10.897 -9.117 925 HH11 ARG 110 HH11 ARG 110 -9.024 12.713 -6.671 926 HH12 ARG 110 HH12 ARG 110 -10.456 13.280 -5.882 927 HH21 ARG 110 HH21 ARG 110 -12.644 11.686 -8.085 928 HH22 ARG 110 HH22 ARG 110 -12.502 12.694 -6.689 929 H ASN 111 H ASN 111 -3.845 10.075 -9.085 930 HA ASN 111 HA ASN 111 -2.436 8.994 -11.410 931 HB2 ASN 111 HB2 ASN 111 -1.540 11.230 -12.028 932 HB3 ASN 111 HB3 ASN 111 -3.285 11.138 -12.231 933 HD21 ASN 111 HD21 ASN 111 -1.662 13.511 -11.924 934 HD22 ASN 111 HD22 ASN 111 -2.236 14.334 -10.517 935 H GLU 112 H GLU 112 -0.095 9.722 -11.317 936 HA GLU 112 HA GLU 112 1.139 8.727 -8.999 937 HB2 GLU 112 HB2 GLU 112 2.228 8.424 -11.082 938 HB3 GLU 112 HB3 GLU 112 2.149 10.121 -11.497 939 HG2 GLU 112 HG2 GLU 112 3.807 9.481 -9.096 940 HG3 GLU 112 HG3 GLU 112 4.411 8.838 -10.613 941 H ASP 113 H ASP 113 0.646 12.086 -10.106 942 HA ASP 113 HA ASP 113 2.219 13.515 -8.306 943 HB2 ASP 113 HB2 ASP 113 -0.543 14.270 -9.380 944 HB3 ASP 113 HB3 ASP 113 0.563 15.398 -8.597 945 H GLU 114 H GLU 114 -1.138 12.438 -7.975 946 HA GLU 114 HA GLU 114 -1.583 13.526 -5.405 947 HB2 GLU 114 HB2 GLU 114 -3.324 13.023 -7.149 948 HB3 GLU 114 HB3 GLU 114 -3.106 11.309 -6.810 949 HG2 GLU 114 HG2 GLU 114 -5.066 12.178 -5.690 950 HG3 GLU 114 HG3 GLU 114 -3.868 11.667 -4.507 951 H ALA 115 H ALA 115 -0.863 10.273 -6.603 952 HA ALA 115 HA ALA 115 -1.085 8.776 -4.249 953 HB1 ALA 115 HB1 ALA 115 0.211 7.069 -5.457 954 HB2 ALA 115 HB2 ALA 115 0.692 8.275 -6.654 955 HB3 ALA 115 HB3 ALA 115 -1.001 7.805 -6.503 956 H LYS 116 H LYS 116 1.634 10.537 -5.613 957 HA LYS 116 HA LYS 116 3.797 9.735 -4.036 958 HB2 LYS 116 HB2 LYS 116 4.056 11.067 -6.056 959 HB3 LYS 116 HB3 LYS 116 3.126 12.392 -5.374 960 HG2 LYS 116 HG2 LYS 116 4.941 12.844 -3.755 961 HG3 LYS 116 HG3 LYS 116 5.883 11.507 -4.422 962 HD2 LYS 116 HD2 LYS 116 5.019 14.008 -5.937 963 HD3 LYS 116 HD3 LYS 116 6.646 13.675 -5.340 964 HE2 LYS 116 HE2 LYS 116 6.866 11.786 -6.849 965 HE3 LYS 116 HE3 LYS 116 5.188 11.949 -7.365 966 HZ1 LYS 116 HZ1 LYS 116 5.733 14.077 -8.354 967 HZ2 LYS 116 HZ2 LYS 116 6.728 12.863 -8.977 968 HZ3 LYS 116 HZ3 LYS 116 7.334 13.947 -7.830 969 H LYS 117 H LYS 117 1.423 12.322 -3.532 970 HA LYS 117 HA LYS 117 2.433 13.445 -1.133 971 HB2 LYS 117 HB2 LYS 117 -0.511 13.279 -1.913 972 HB3 LYS 117 HB3 LYS 117 0.247 14.500 -0.902 973 HG2 LYS 117 HG2 LYS 117 1.305 15.530 -2.799 974 HG3 LYS 117 HG3 LYS 117 0.875 14.176 -3.849 975 HD2 LYS 117 HD2 LYS 117 -1.577 14.744 -3.409 976 HD3 LYS 117 HD3 LYS 117 -1.022 16.213 -2.605 977 HE2 LYS 117 HE2 LYS 117 -0.038 17.020 -4.691 978 HE3 LYS 117 HE3 LYS 117 -0.444 15.500 -5.499 979 HZ1 LYS 117 HZ1 LYS 117 -2.382 17.478 -4.405 980 HZ2 LYS 117 HZ2 LYS 117 -2.808 15.991 -5.084 981 HZ3 LYS 117 HZ3 LYS 117 -2.074 17.172 -6.041 982 H LYS 118 H LYS 118 0.036 10.917 -1.823 983 HA LYS 118 HA LYS 118 -0.981 10.511 0.778 984 HB2 LYS 118 HB2 LYS 118 -0.913 8.476 -1.494 985 HB3 LYS 118 HB3 LYS 118 -2.023 8.474 -0.138 986 HG2 LYS 118 HG2 LYS 118 -1.976 10.400 -2.472 987 HG3 LYS 118 HG3 LYS 118 -3.174 9.159 -2.141 988 HD2 LYS 118 HD2 LYS 118 -4.338 11.012 -1.401 989 HD3 LYS 118 HD3 LYS 118 -3.528 10.581 0.103 990 HE2 LYS 118 HE2 LYS 118 -1.719 12.242 -0.545 991 HE3 LYS 118 HE3 LYS 118 -2.769 12.751 -1.863 992 HZ1 LYS 118 HZ1 LYS 118 -2.933 14.126 0.150 993 HZ2 LYS 118 HZ2 LYS 118 -3.552 12.807 0.996 994 HZ3 LYS 118 HZ3 LYS 118 -4.404 13.450 -0.310 995 H LEU 119 H LEU 119 1.603 8.938 -1.031 996 HA LEU 119 HA LEU 119 2.309 6.817 0.652 997 HB2 LEU 119 HB2 LEU 119 3.880 8.498 -1.322 998 HB3 LEU 119 HB3 LEU 119 4.664 7.199 -0.434 999 HG LEU 119 HG LEU 119 2.248 6.780 -2.236 1000 HD11 LEU 119 HD11 LEU 119 3.838 5.849 -3.854 1001 HD12 LEU 119 HD12 LEU 119 5.187 6.356 -2.834 1002 HD13 LEU 119 HD13 LEU 119 4.125 7.562 -3.564 1003 HD21 LEU 119 HD21 LEU 119 4.175 4.804 -0.959 1004 HD22 LEU 119 HD22 LEU 119 2.875 4.404 -2.085 1005 HD23 LEU 119 HD23 LEU 119 2.488 5.067 -0.501 1006 H LYS 120 H LYS 120 3.622 10.103 0.459 1007 HA LYS 120 HA LYS 120 5.597 9.703 2.471 1008 HB2 LYS 120 HB2 LYS 120 4.565 12.256 1.153 1009 HB3 LYS 120 HB3 LYS 120 5.977 12.176 2.211 1010 HG2 LYS 120 HG2 LYS 120 7.068 10.596 0.685 1011 HG3 LYS 120 HG3 LYS 120 5.665 10.639 -0.385 1012 HD2 LYS 120 HD2 LYS 120 6.076 13.052 -0.806 1013 HD3 LYS 120 HD3 LYS 120 7.486 12.990 0.258 1014 HE2 LYS 120 HE2 LYS 120 8.581 11.395 -1.245 1015 HE3 LYS 120 HE3 LYS 120 7.157 11.370 -2.290 1016 HZ1 LYS 120 HZ1 LYS 120 8.934 13.694 -1.783 1017 HZ2 LYS 120 HZ2 LYS 120 7.505 13.763 -2.686 1018 HZ3 LYS 120 HZ3 LYS 120 8.795 12.814 -3.217 1019 H GLU 121 H GLU 121 2.358 11.087 2.493 1020 HA GLU 121 HA GLU 121 2.257 11.950 5.187 1021 HB2 GLU 121 HB2 GLU 121 0.060 10.936 3.327 1022 HB3 GLU 121 HB3 GLU 121 -0.254 11.620 4.920 1023 HG2 GLU 121 HG2 GLU 121 0.700 13.760 4.222 1024 HG3 GLU 121 HG3 GLU 121 1.119 13.081 2.654 1025 H ALA 122 H ALA 122 1.594 8.814 3.653 1026 HA ALA 122 HA ALA 122 0.774 7.394 5.989 1027 HB1 ALA 122 HB1 ALA 122 1.873 6.318 3.368 1028 HB2 ALA 122 HB2 ALA 122 0.178 6.659 3.716 1029 HB3 ALA 122 HB3 ALA 122 1.012 5.380 4.597 1030 H LEU 123 H LEU 123 3.886 8.042 4.526 1031 HA LEU 123 HA LEU 123 5.444 6.208 6.101 1032 HB2 LEU 123 HB2 LEU 123 6.233 8.613 4.407 1033 HB3 LEU 123 HB3 LEU 123 7.398 7.556 5.179 1034 HG LEU 123 HG LEU 123 5.477 6.849 2.927 1035 HD11 LEU 123 HD11 LEU 123 7.478 8.033 2.187 1036 HD12 LEU 123 HD12 LEU 123 7.483 6.369 1.613 1037 HD13 LEU 123 HD13 LEU 123 8.505 6.834 2.977 1038 HD21 LEU 123 HD21 LEU 123 5.511 4.942 4.424 1039 HD22 LEU 123 HD22 LEU 123 7.274 4.935 4.432 1040 HD23 LEU 123 HD23 LEU 123 6.395 4.565 2.946 1041 H GLU 124 H GLU 124 4.342 9.516 6.437 1042 HA GLU 124 HA GLU 124 5.756 10.044 8.897 1043 HB2 GLU 124 HB2 GLU 124 3.339 11.384 7.610 1044 HB3 GLU 124 HB3 GLU 124 4.115 11.967 9.084 1045 HG2 GLU 124 HG2 GLU 124 6.202 12.381 7.884 1046 HG3 GLU 124 HG3 GLU 124 5.532 11.670 6.414 1047 H LYS 125 H LYS 125 2.633 8.607 8.016 1048 HA LYS 125 HA LYS 125 1.498 8.476 10.643 1049 HB2 LYS 125 HB2 LYS 125 0.857 6.817 8.160 1050 HB3 LYS 125 HB3 LYS 125 -0.093 6.791 9.640 1051 HG2 LYS 125 HG2 LYS 125 0.296 9.172 7.819 1052 HG3 LYS 125 HG3 LYS 125 -1.149 8.175 7.922 1053 HD2 LYS 125 HD2 LYS 125 -1.469 8.907 10.272 1054 HD3 LYS 125 HD3 LYS 125 -0.022 9.910 10.147 1055 HE2 LYS 125 HE2 LYS 125 -1.108 11.235 8.351 1056 HE3 LYS 125 HE3 LYS 125 -2.564 10.244 8.519 1057 HZ1 LYS 125 HZ1 LYS 125 -1.378 12.001 10.602 1058 HZ2 LYS 125 HZ2 LYS 125 -2.711 10.990 10.842 1059 HZ3 LYS 125 HZ3 LYS 125 -2.812 12.272 9.751 1060 H SER 126 H SER 126 3.740 6.478 8.873 1061 HA SER 126 HA SER 126 3.543 4.167 10.581 1062 HB2 SER 126 HB2 SER 126 5.482 3.336 9.272 1063 HB3 SER 126 HB3 SER 126 4.188 3.922 8.224 1064 HG SER 126 HG SER 126 6.743 4.734 8.373 1065 H GLY 127 H GLY 127 4.897 7.186 11.047 1066 HA2 GLY 127 HA2 GLY 127 6.111 7.997 12.832 1067 HA3 GLY 127 HA3 GLY 127 6.388 6.351 13.384 1068 H SER 128 H SER 128 7.225 6.388 10.178 1069 HA SER 128 HA SER 128 10.021 6.220 10.574 1070 HB2 SER 128 HB2 SER 128 8.379 6.665 8.041 1071 HB3 SER 128 HB3 SER 128 10.103 6.301 8.054 1072 HG SER 128 HG SER 128 9.480 4.322 8.062 1073 H LEU 129 H LEU 129 7.944 8.737 9.169 1074 HA LEU 129 HA LEU 129 9.974 10.794 9.838 1075 HB2 LEU 129 HB2 LEU 129 7.944 10.781 7.563 1076 HB3 LEU 129 HB3 LEU 129 8.744 12.242 8.112 1077 HG LEU 129 HG LEU 129 9.917 11.515 6.170 1078 HD11 LEU 129 HD11 LEU 129 11.590 10.711 8.574 1079 HD12 LEU 129 HD12 LEU 129 11.386 12.349 7.951 1080 HD13 LEU 129 HD13 LEU 129 12.203 11.134 6.973 1081 HD21 LEU 129 HD21 LEU 129 10.864 9.295 5.869 1082 HD22 LEU 129 HD22 LEU 129 9.121 9.197 6.104 1083 HD23 LEU 129 HD23 LEU 129 10.213 8.775 7.425 1084 H GLU 130 H GLU 130 9.095 12.852 10.371 1085 HA GLU 130 HA GLU 130 6.377 13.223 11.177 1086 HB2 GLU 130 HB2 GLU 130 6.881 13.676 13.595 1087 HB3 GLU 130 HB3 GLU 130 7.069 11.979 13.168 1088 HG2 GLU 130 HG2 GLU 130 9.525 12.278 13.058 1089 HG3 GLU 130 HG3 GLU 130 9.327 13.977 13.481 1090 H HIS 131 H HIS 131 5.983 15.428 11.637 1091 HA HIS 131 HA HIS 131 6.108 17.603 11.061 1092 HB2 HIS 131 HB2 HIS 131 8.999 17.406 12.036 1093 HB3 HIS 131 HB3 HIS 131 8.065 18.883 11.849 1094 HD2 HIS 131 HD2 HIS 131 8.312 15.824 14.281 1095 HE1 HIS 131 HE1 HIS 131 6.064 18.903 16.106 1096 HE2 HIS 131 HE2 HIS 131 7.365 16.766 16.494 1097 H HIS 132 H HIS 132 5.918 16.733 8.772 1098 HA HIS 132 HA HIS 132 8.011 16.701 6.917 1099 HB2 HIS 132 HB2 HIS 132 5.755 16.061 6.230 1100 HB3 HIS 132 HB3 HIS 132 5.136 17.664 6.556 1101 HD2 HIS 132 HD2 HIS 132 7.293 15.791 3.862 1102 HE1 HIS 132 HE1 HIS 132 6.033 19.521 2.314 1103 HE2 HIS 132 HE2 HIS 132 7.010 17.252 1.742 1104 H HIS 133 H HIS 133 5.976 19.402 7.978 1105 HA HIS 133 HA HIS 133 6.231 21.608 8.217 1106 HB2 HIS 133 HB2 HIS 133 8.095 21.064 9.687 1107 HB3 HIS 133 HB3 HIS 133 9.197 20.910 8.323 1108 HD1 HIS 133 HD1 HIS 133 10.314 23.021 7.490 1109 HD2 HIS 133 HD2 HIS 133 7.311 23.808 10.259 1110 HE1 HIS 133 HE1 HIS 133 10.477 25.478 7.991 1111 HE2 HIS 133 HE2 HIS 133 8.619 25.941 9.612 1112 H HIS 134 H HIS 134 5.427 22.467 6.382 1113 HA HIS 134 HA HIS 134 7.284 23.129 4.180 1114 HB2 HIS 134 HB2 HIS 134 5.274 23.223 2.713 1115 HB3 HIS 134 HB3 HIS 134 5.521 21.630 3.417 1116 HD1 HIS 134 HD1 HIS 134 3.774 20.806 5.144 1117 HD2 HIS 134 HD2 HIS 134 2.877 24.509 3.488 1118 HE1 HIS 134 HE1 HIS 134 1.385 21.256 5.759 1119 HE2 HIS 134 HE2 HIS 134 0.822 23.402 4.584 1120 H HIS 135 H HIS 135 7.287 25.214 3.400 1121 HA HIS 135 HA HIS 135 6.015 27.311 5.073 1122 HB2 HIS 135 HB2 HIS 135 8.492 27.219 5.275 1123 HB3 HIS 135 HB3 HIS 135 8.659 27.362 3.532 1124 HD1 HIS 135 HD1 HIS 135 8.495 29.727 2.522 1125 HD2 HIS 135 HD2 HIS 135 7.786 29.635 6.624 1126 HE1 HIS 135 HE1 HIS 135 8.560 32.119 3.279 1127 HE2 HIS 135 HE2 HIS 135 8.124 32.045 5.752 1128 H HIS 136 H HIS 136 4.871 28.918 3.987 1129 HA HIS 136 HA HIS 136 4.217 28.627 1.208 1130 HB2 HIS 136 HB2 HIS 136 3.618 30.904 3.162 1131 HB3 HIS 136 HB3 HIS 136 2.984 30.827 1.524 1132 HD1 HIS 136 HD1 HIS 136 1.599 30.561 4.580 1133 HD2 HIS 136 HD2 HIS 136 1.781 27.817 1.462 1134 HE1 HIS 136 HE1 HIS 136 -0.323 28.990 4.951 1135 HE2 HIS 136 HE2 HIS 136 -0.059 27.233 3.172
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