NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
585188 | 2mna | 19095 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H5' DT 1 H5' DT 1 -11.185 6.350 9.013 2 H5'' DT 1 H5'' DT 1 -11.664 5.681 7.442 3 H4' DT 1 H4' DT 1 -13.176 5.741 9.746 4 H3' DT 1 H3' DT 1 -13.850 5.175 6.880 5 H2' DT 1 H2' DT 1 -16.190 5.243 7.404 6 H2'' DT 1 H2'' DT 1 -15.904 5.107 9.133 7 H1' DT 1 H1' DT 1 -16.075 7.450 9.102 8 H3 DT 1 H3 DT 1 -17.868 9.785 5.757 9 H71 DT 1 H71 DT 1 -13.448 8.986 3.645 10 H72 DT 1 H72 DT 1 -13.630 7.216 3.701 11 H73 DT 1 H73 DT 1 -14.746 8.195 2.719 12 H6 DT 1 H6 DT 1 -13.983 7.036 6.074 13 HO5' DT 1 HO5' DT 1 -12.694 8.141 7.745 14 H5' DT 2 H5' DT 2 -14.301 -0.173 7.454 15 H5'' DT 2 H5'' DT 2 -12.953 -0.628 8.518 16 H4' DT 2 H4' DT 2 -12.813 0.389 5.678 17 H3' DT 2 H3' DT 2 -12.288 -2.307 6.894 18 H2' DT 2 H2' DT 2 -10.511 -2.629 5.323 19 H2'' DT 2 H2'' DT 2 -11.067 -1.326 4.285 20 H1' DT 2 H1' DT 2 -9.520 -0.001 5.473 21 H3 DT 2 H3 DT 2 -8.130 -1.183 10.124 22 H71 DT 2 H71 DT 2 -8.173 -5.302 7.426 23 H72 DT 2 H72 DT 2 -6.489 -4.798 7.701 24 H73 DT 2 H73 DT 2 -7.221 -4.611 6.090 25 H6 DT 2 H6 DT 2 -8.727 -2.772 5.679 26 H5' DT 3 H5' DT 3 -16.010 -4.253 2.317 27 H5'' DT 3 H5'' DT 3 -14.311 -4.725 2.531 28 H4' DT 3 H4' DT 3 -15.460 -2.499 1.065 29 H3' DT 3 H3' DT 3 -12.987 -4.094 0.933 30 H2' DT 3 H2' DT 3 -11.598 -2.232 0.758 31 H2'' DT 3 H2'' DT 3 -12.646 -1.556 -0.483 32 H1' DT 3 H1' DT 3 -13.875 -0.268 1.005 33 H3 DT 3 H3 DT 3 -11.932 2.318 4.218 34 H71 DT 3 H71 DT 3 -7.874 0.254 3.114 35 H72 DT 3 H72 DT 3 -8.374 -1.213 2.239 36 H73 DT 3 H73 DT 3 -8.474 -1.159 4.015 37 H6 DT 3 H6 DT 3 -10.667 -1.561 1.757 38 H5' DT 4 H5' DT 4 -14.933 -2.795 -2.843 39 H5'' DT 4 H5'' DT 4 -14.354 -3.156 -4.483 40 H4' DT 4 H4' DT 4 -13.834 -0.868 -3.235 41 H3' DT 4 H3' DT 4 -12.446 -2.296 -5.383 42 H2' DT 4 H2' DT 4 -10.282 -1.766 -4.707 43 H2'' DT 4 H2'' DT 4 -10.742 -0.071 -4.591 44 H1' DT 4 H1' DT 4 -11.157 -0.139 -2.333 45 H3 DT 4 H3 DT 4 -6.644 -1.598 -2.044 46 H71 DT 4 H71 DT 4 -8.682 -4.353 1.233 47 H72 DT 4 H72 DT 4 -10.259 -4.714 0.491 48 H73 DT 4 H73 DT 4 -8.783 -5.492 -0.130 49 H6 DT 4 H6 DT 4 -11.036 -3.173 -1.055 50 H5' DT 5 H5' DT 5 -13.315 -1.412 -8.831 51 H5'' DT 5 H5'' DT 5 -12.992 -2.826 -7.807 52 H4' DT 5 H4' DT 5 -11.649 -1.881 -10.264 53 H3' DT 5 H3' DT 5 -13.037 -4.126 -9.797 54 H2' DT 5 H2' DT 5 -11.682 -5.086 -8.084 55 H2'' DT 5 H2'' DT 5 -10.921 -5.794 -9.501 56 H1' DT 5 H1' DT 5 -9.138 -4.228 -9.515 57 H3 DT 5 H3 DT 5 -6.427 -4.775 -6.021 58 H71 DT 5 H71 DT 5 -9.747 -4.253 -2.938 59 H72 DT 5 H72 DT 5 -11.006 -5.201 -3.763 60 H73 DT 5 H73 DT 5 -11.030 -3.424 -3.850 61 H6 DT 5 H6 DT 5 -11.122 -4.052 -6.386 62 H5' DT 6 H5' DT 6 -10.367 -5.701 -13.953 63 H5'' DT 6 H5'' DT 6 -9.880 -7.313 -13.389 64 H4' DT 6 H4' DT 6 -9.462 -4.792 -11.793 65 H3' DT 6 H3' DT 6 -7.733 -5.885 -13.967 66 HO3' DT 6 HO3' DT 6 -8.850 -3.615 -13.244 67 H2' DT 6 H2' DT 6 -5.761 -5.635 -12.616 68 H2'' DT 6 H2'' DT 6 -6.579 -4.604 -11.449 69 H1' DT 6 H1' DT 6 -6.813 -6.657 -10.288 70 H3 DT 6 H3 DT 6 -4.167 -9.910 -12.163 71 H71 DT 6 H71 DT 6 -8.551 -10.241 -14.871 72 H72 DT 6 H72 DT 6 -9.175 -10.917 -13.348 73 H73 DT 6 H73 DT 6 -7.830 -11.719 -14.193 74 H6 DT 6 H6 DT 6 -8.647 -8.383 -12.753 75 H1 MET 1 H MET 1 11.530 -2.564 14.915 76 H1 MET 1 HT1 MET 1 11.134 -1.477 13.680 77 H2 MET 1 H2 MET 1 11.696 -3.025 13.296 78 HA MET 1 HA MET 1 9.743 -4.034 14.224 79 HB2 MET 1 HB2 MET 1 8.987 -1.173 14.831 80 HB3 MET 1 HB3 MET 1 7.852 -2.514 14.893 81 HG2 MET 1 HG2 MET 1 9.980 -3.362 16.442 82 HG3 MET 1 HG3 MET 1 9.812 -1.652 16.833 83 HE1 MET 1 HE1 MET 1 9.493 -3.406 19.204 84 HE2 MET 1 HE2 MET 1 9.077 -4.834 18.255 85 HE3 MET 1 HE3 MET 1 7.960 -4.233 19.480 86 H GLU 2 H GLU 2 10.879 -2.583 11.749 87 HA GLU 2 HA GLU 2 8.359 -2.553 10.226 88 HB2 GLU 2 HB2 GLU 2 9.797 -1.130 8.582 89 HB3 GLU 2 HB3 GLU 2 9.100 -0.368 10.004 90 HG2 GLU 2 HG2 GLU 2 11.692 -1.441 10.618 91 HG3 GLU 2 HG3 GLU 2 11.777 -0.382 9.212 92 H GLU 3 H GLU 3 8.154 -3.988 8.633 93 HA GLU 3 HA GLU 3 10.457 -5.675 8.005 94 HB2 GLU 3 HB2 GLU 3 8.941 -7.319 7.284 95 HB3 GLU 3 HB3 GLU 3 8.191 -6.611 8.707 96 HG2 GLU 3 HG2 GLU 3 7.016 -5.079 6.925 97 HG3 GLU 3 HG3 GLU 3 7.399 -6.422 5.848 98 H LYS 4 H LYS 4 10.451 -6.552 5.667 99 HA LYS 4 HA LYS 4 10.491 -4.164 3.884 100 HB2 LYS 4 HB2 LYS 4 11.767 -5.867 2.406 101 HB3 LYS 4 HB3 LYS 4 12.576 -5.137 3.786 102 HG2 LYS 4 HG2 LYS 4 11.176 -7.703 4.237 103 HG3 LYS 4 HG3 LYS 4 12.660 -7.741 3.285 104 HD2 LYS 4 HD2 LYS 4 12.767 -6.150 5.766 105 HD3 LYS 4 HD3 LYS 4 12.590 -7.892 5.982 106 HE2 LYS 4 HE2 LYS 4 14.524 -7.825 4.098 107 HE3 LYS 4 HE3 LYS 4 14.867 -6.326 4.959 108 HZ1 LYS 4 HZ1 LYS 4 14.648 -9.019 6.193 109 HZ2 LYS 4 HZ2 LYS 4 14.980 -7.581 7.021 110 HZ3 LYS 4 HZ3 LYS 4 16.089 -8.183 5.895 111 H VAL 5 H VAL 5 10.085 -4.777 1.511 112 HA VAL 5 HA VAL 5 7.367 -5.633 1.308 113 HB VAL 5 HB VAL 5 9.360 -5.025 -0.884 114 HG11 VAL 5 HG11 VAL 5 7.562 -6.309 -1.797 115 HG12 VAL 5 HG12 VAL 5 7.311 -4.619 -2.246 116 HG13 VAL 5 HG13 VAL 5 6.366 -5.335 -0.941 117 HG21 VAL 5 HG21 VAL 5 7.264 -3.267 0.388 118 HG22 VAL 5 HG22 VAL 5 8.299 -2.827 -0.971 119 HG23 VAL 5 HG23 VAL 5 9.008 -3.129 0.616 120 H GLY 6 H GLY 6 10.496 -7.057 0.531 121 HA2 GLY 6 HA2 GLY 6 9.376 -9.330 -0.823 122 HA3 GLY 6 HA3 GLY 6 11.052 -9.125 -0.340 123 H ASN 7 H ASN 7 9.165 -8.536 2.321 124 HA ASN 7 HA ASN 7 9.207 -11.356 3.159 125 HB2 ASN 7 HB2 ASN 7 11.041 -9.712 4.067 126 HB3 ASN 7 HB3 ASN 7 9.745 -9.173 5.129 127 HD21 ASN 7 HD21 ASN 7 10.250 -9.977 7.037 128 HD22 ASN 7 HD22 ASN 7 10.607 -11.602 7.370 129 H LEU 8 H LEU 8 7.270 -8.801 2.531 130 HA LEU 8 HA LEU 8 5.555 -8.881 4.844 131 HB2 LEU 8 HB2 LEU 8 4.439 -7.143 3.902 132 HB3 LEU 8 HB3 LEU 8 5.936 -7.002 3.004 133 HG LEU 8 HG LEU 8 4.543 -8.681 1.386 134 HD11 LEU 8 HD11 LEU 8 2.405 -8.765 2.051 135 HD12 LEU 8 HD12 LEU 8 2.302 -7.091 1.400 136 HD13 LEU 8 HD13 LEU 8 2.618 -7.362 3.134 137 HD21 LEU 8 HD21 LEU 8 5.696 -6.783 0.559 138 HD22 LEU 8 HD22 LEU 8 4.628 -5.679 1.428 139 HD23 LEU 8 HD23 LEU 8 4.008 -6.619 0.071 140 H LYS 9 H LYS 9 3.360 -9.686 4.854 141 HA LYS 9 HA LYS 9 2.639 -11.560 2.803 142 HB2 LYS 9 HB2 LYS 9 2.110 -13.142 4.307 143 HB3 LYS 9 HB3 LYS 9 3.685 -12.652 4.689 144 HG2 LYS 9 HG2 LYS 9 3.039 -12.203 6.802 145 HG3 LYS 9 HG3 LYS 9 1.763 -11.187 6.178 146 HD2 LYS 9 HD2 LYS 9 0.431 -12.722 7.200 147 HD3 LYS 9 HD3 LYS 9 0.680 -13.592 5.685 148 HE2 LYS 9 HE2 LYS 9 1.483 -15.270 6.909 149 HE3 LYS 9 HE3 LYS 9 2.890 -14.256 7.220 150 HZ1 LYS 9 HZ1 LYS 9 1.790 -13.405 9.199 151 HZ2 LYS 9 HZ2 LYS 9 1.941 -15.088 9.272 152 HZ3 LYS 9 HZ3 LYS 9 0.446 -14.389 8.901 153 HA PRO 10 HA PRO 10 -1.292 -9.578 3.159 154 HB2 PRO 10 HB2 PRO 10 -2.950 -11.440 2.154 155 HB3 PRO 10 HB3 PRO 10 -1.791 -10.576 1.172 156 HG2 PRO 10 HG2 PRO 10 -1.625 -13.330 2.305 157 HG3 PRO 10 HG3 PRO 10 -1.124 -12.767 0.699 158 HD2 PRO 10 HD2 PRO 10 0.685 -13.107 2.769 159 HD3 PRO 10 HD3 PRO 10 0.885 -12.010 1.439 160 H ASN 11 H ASN 11 -3.445 -9.766 4.087 161 HA ASN 11 HA ASN 11 -4.976 -10.309 5.713 162 HB2 ASN 11 HB2 ASN 11 -3.560 -12.854 5.317 163 HB3 ASN 11 HB3 ASN 11 -4.310 -12.682 6.901 164 HD21 ASN 11 HD21 ASN 11 -4.892 -12.621 3.440 165 HD22 ASN 11 HD22 ASN 11 -6.597 -13.004 3.535 166 H MET 12 H MET 12 -2.359 -8.930 6.304 167 HA MET 12 HA MET 12 -2.179 -9.495 9.137 168 HB2 MET 12 HB2 MET 12 -0.346 -8.004 7.258 169 HB3 MET 12 HB3 MET 12 -0.130 -8.133 8.951 170 HG2 MET 12 HG2 MET 12 -0.387 -10.739 8.293 171 HG3 MET 12 HG3 MET 12 0.378 -10.045 6.874 172 HE1 MET 12 HE1 MET 12 2.809 -9.229 6.714 173 HE2 MET 12 HE2 MET 12 3.789 -8.798 8.135 174 HE3 MET 12 HE3 MET 12 2.328 -7.885 7.760 175 H GLU 13 H GLU 13 -3.061 -8.136 10.549 176 HA GLU 13 HA GLU 13 -4.281 -5.692 9.600 177 HB2 GLU 13 HB2 GLU 13 -4.263 -6.308 12.499 178 HB3 GLU 13 HB3 GLU 13 -5.580 -5.760 11.473 179 HG2 GLU 13 HG2 GLU 13 -5.316 -8.200 10.473 180 HG3 GLU 13 HG3 GLU 13 -4.660 -8.509 12.080 181 H SER 14 H SER 14 -1.255 -6.190 10.026 182 HA SER 14 HA SER 14 -0.690 -3.511 10.916 183 HB2 SER 14 HB2 SER 14 1.065 -4.480 12.591 184 HB3 SER 14 HB3 SER 14 -0.617 -4.342 13.097 185 HG SER 14 HG SER 14 0.650 -6.680 12.110 186 H VAL 15 H VAL 15 0.690 -2.821 9.423 187 HA VAL 15 HA VAL 15 2.961 -4.523 8.699 188 HB VAL 15 HB VAL 15 1.813 -3.011 6.437 189 HG11 VAL 15 HG11 VAL 15 2.525 -5.003 5.203 190 HG12 VAL 15 HG12 VAL 15 2.943 -5.792 6.723 191 HG13 VAL 15 HG13 VAL 15 3.825 -4.356 6.204 192 HG21 VAL 15 HG21 VAL 15 -0.070 -4.214 6.058 193 HG22 VAL 15 HG22 VAL 15 -0.061 -4.330 7.818 194 HG23 VAL 15 HG23 VAL 15 0.563 -5.661 6.843 195 H ASN 16 H ASN 16 4.660 -3.374 9.276 196 HA ASN 16 HA ASN 16 4.711 -0.475 8.800 197 HB2 ASN 16 HB2 ASN 16 5.389 -1.990 11.031 198 HB3 ASN 16 HB3 ASN 16 6.885 -1.383 10.351 199 HD21 ASN 16 HD21 ASN 16 6.468 1.016 9.527 200 HD22 ASN 16 HD22 ASN 16 5.830 2.042 10.784 201 H VAL 17 H VAL 17 6.033 0.317 7.244 202 HA VAL 17 HA VAL 17 8.456 -1.084 6.532 203 HB VAL 17 HB VAL 17 7.085 -2.467 5.291 204 HG11 VAL 17 HG11 VAL 17 5.112 -0.792 5.565 205 HG12 VAL 17 HG12 VAL 17 5.116 -1.939 4.204 206 HG13 VAL 17 HG13 VAL 17 5.598 -0.264 3.938 207 HG21 VAL 17 HG21 VAL 17 8.917 -1.746 3.906 208 HG22 VAL 17 HG22 VAL 17 8.055 -0.275 3.459 209 HG23 VAL 17 HG23 VAL 17 7.485 -1.839 2.879 210 H THR 18 H THR 18 9.794 0.067 5.093 211 HA THR 18 HA THR 18 9.039 2.874 4.639 212 HB THR 18 HB THR 18 11.921 2.261 4.643 213 HG1 THR 18 HG1 THR 18 11.907 2.295 7.019 214 HG21 THR 18 HG21 THR 18 10.102 4.459 5.305 215 HG22 THR 18 HG22 THR 18 11.759 4.505 4.669 216 HG23 THR 18 HG23 THR 18 11.470 4.306 6.408 217 H VAL 19 H VAL 19 9.167 3.564 2.507 218 HA VAL 19 HA VAL 19 10.689 2.134 0.600 219 HB VAL 19 HB VAL 19 8.808 1.722 -0.949 220 HG11 VAL 19 HG11 VAL 19 9.545 -0.126 0.270 221 HG12 VAL 19 HG12 VAL 19 7.744 -0.048 0.183 222 HG13 VAL 19 HG13 VAL 19 8.638 0.443 1.730 223 HG21 VAL 19 HG21 VAL 19 7.145 3.241 -0.310 224 HG22 VAL 19 HG22 VAL 19 7.202 2.733 1.377 225 HG23 VAL 19 HG23 VAL 19 6.498 1.668 0.163 226 H ARG 20 H ARG 20 10.015 3.099 -1.685 227 HA ARG 20 HA ARG 20 9.801 5.963 -1.363 228 HB2 ARG 20 HB2 ARG 20 12.013 4.975 -2.127 229 HB3 ARG 20 HB3 ARG 20 11.239 4.592 -3.630 230 HG2 ARG 20 HG2 ARG 20 11.924 6.660 -4.281 231 HG3 ARG 20 HG3 ARG 20 10.661 7.290 -3.221 232 HD2 ARG 20 HD2 ARG 20 12.222 7.420 -1.381 233 HD3 ARG 20 HD3 ARG 20 13.483 6.675 -2.358 234 HE ARG 20 HE ARG 20 12.355 9.357 -2.826 235 HH11 ARG 20 HH11 ARG 20 14.953 7.043 -3.084 236 HH12 ARG 20 HH12 ARG 20 16.069 8.180 -3.761 237 HH21 ARG 20 HH21 ARG 20 13.821 10.858 -3.718 238 HH22 ARG 20 HH22 ARG 20 15.426 10.348 -4.121 239 H VAL 21 H VAL 21 8.674 7.166 -3.021 240 HA VAL 21 HA VAL 21 6.349 5.723 -3.987 241 HB VAL 21 HB VAL 21 7.224 8.583 -4.720 242 HG11 VAL 21 HG11 VAL 21 4.830 8.921 -5.056 243 HG12 VAL 21 HG12 VAL 21 4.561 7.208 -4.736 244 HG13 VAL 21 HG13 VAL 21 5.492 7.705 -6.148 245 HG21 VAL 21 HG21 VAL 21 5.866 9.330 -2.863 246 HG22 VAL 21 HG22 VAL 21 7.199 8.319 -2.303 247 HG23 VAL 21 HG23 VAL 21 5.568 7.654 -2.401 248 H LEU 22 H LEU 22 6.100 4.800 -5.894 249 HA LEU 22 HA LEU 22 8.098 5.179 -7.991 250 HB2 LEU 22 HB2 LEU 22 6.118 2.919 -7.753 251 HB3 LEU 22 HB3 LEU 22 7.519 3.010 -8.760 252 HG LEU 22 HG LEU 22 7.494 2.694 -5.790 253 HD11 LEU 22 HD11 LEU 22 8.653 0.877 -7.884 254 HD12 LEU 22 HD12 LEU 22 7.021 0.698 -7.241 255 HD13 LEU 22 HD13 LEU 22 8.412 0.546 -6.168 256 HD21 LEU 22 HD21 LEU 22 9.932 2.834 -7.551 257 HD22 LEU 22 HD22 LEU 22 9.852 2.761 -5.791 258 HD23 LEU 22 HD23 LEU 22 9.316 4.209 -6.630 259 H GLU 23 H GLU 23 4.811 5.508 -7.139 260 HA GLU 23 HA GLU 23 4.251 7.054 -9.542 261 HB2 GLU 23 HB2 GLU 23 3.913 4.498 -10.056 262 HB3 GLU 23 HB3 GLU 23 2.413 4.721 -9.165 263 HG2 GLU 23 HG2 GLU 23 1.516 5.342 -11.097 264 HG3 GLU 23 HG3 GLU 23 2.424 6.841 -10.921 265 H ALA 24 H ALA 24 1.931 7.857 -9.515 266 HA ALA 24 HA ALA 24 0.489 7.680 -7.046 267 HB1 ALA 24 HB1 ALA 24 1.891 10.277 -7.692 268 HB2 ALA 24 HB2 ALA 24 2.276 9.193 -6.354 269 HB3 ALA 24 HB3 ALA 24 0.724 10.030 -6.393 270 H SER 25 H SER 25 -1.601 7.962 -7.468 271 HA SER 25 HA SER 25 -2.332 9.438 -9.921 272 HB2 SER 25 HB2 SER 25 -2.848 6.811 -9.421 273 HB3 SER 25 HB3 SER 25 -4.316 7.562 -8.794 274 HG SER 25 HG SER 25 -3.973 6.980 -11.222 275 H GLU 26 H GLU 26 -4.258 10.722 -9.864 276 HA GLU 26 HA GLU 26 -4.563 12.213 -7.499 277 HB2 GLU 26 HB2 GLU 26 -6.498 12.150 -9.813 278 HB3 GLU 26 HB3 GLU 26 -6.210 13.454 -8.686 279 HG2 GLU 26 HG2 GLU 26 -4.125 12.451 -10.585 280 HG3 GLU 26 HG3 GLU 26 -5.234 13.768 -10.965 281 H ALA 27 H ALA 27 -6.416 12.479 -6.212 282 HA ALA 27 HA ALA 27 -7.473 9.968 -5.398 283 HB1 ALA 27 HB1 ALA 27 -8.338 11.223 -3.516 284 HB2 ALA 27 HB2 ALA 27 -7.952 12.735 -4.340 285 HB3 ALA 27 HB3 ALA 27 -6.636 11.633 -3.856 286 H ARG 28 H ARG 28 -9.327 9.047 -5.774 287 HA ARG 28 HA ARG 28 -11.505 10.567 -7.044 288 HB2 ARG 28 HB2 ARG 28 -10.721 9.499 -8.918 289 HB3 ARG 28 HB3 ARG 28 -10.022 8.175 -8.005 290 HG2 ARG 28 HG2 ARG 28 -12.763 7.857 -7.693 291 HG3 ARG 28 HG3 ARG 28 -12.558 8.345 -9.376 292 HD2 ARG 28 HD2 ARG 28 -11.069 6.533 -9.799 293 HD3 ARG 28 HD3 ARG 28 -10.956 6.145 -8.083 294 HE ARG 28 HE ARG 28 -13.604 5.959 -9.255 295 HH11 ARG 28 HH11 ARG 28 -10.682 4.270 -8.350 296 HH12 ARG 28 HH12 ARG 28 -11.450 2.719 -8.289 297 HH21 ARG 28 HH21 ARG 28 -14.610 3.917 -9.175 298 HH22 ARG 28 HH22 ARG 28 -13.676 2.518 -8.758 299 H GLN 29 H GLN 29 -13.613 9.551 -6.867 300 HA GLN 29 HA GLN 29 -14.040 8.337 -4.278 301 HB2 GLN 29 HB2 GLN 29 -15.884 9.459 -6.382 302 HB3 GLN 29 HB3 GLN 29 -16.478 8.650 -4.940 303 HG2 GLN 29 HG2 GLN 29 -15.338 10.301 -3.558 304 HG3 GLN 29 HG3 GLN 29 -14.780 11.127 -5.009 305 HE21 GLN 29 HE21 GLN 29 -17.528 10.380 -3.011 306 HE22 GLN 29 HE22 GLN 29 -18.593 11.565 -3.679 307 H ILE 30 H ILE 30 -14.885 6.327 -3.905 308 HA ILE 30 HA ILE 30 -15.398 4.635 -6.259 309 HB ILE 30 HB ILE 30 -14.430 2.742 -5.182 310 HG12 ILE 30 HG12 ILE 30 -13.805 4.377 -2.741 311 HG13 ILE 30 HG13 ILE 30 -15.328 3.509 -2.909 312 HG21 ILE 30 HG21 ILE 30 -12.732 5.205 -4.985 313 HG22 ILE 30 HG22 ILE 30 -12.668 3.901 -6.175 314 HG23 ILE 30 HG23 ILE 30 -12.090 3.621 -4.525 315 HD11 ILE 30 HD11 ILE 30 -14.188 1.412 -3.016 316 HD12 ILE 30 HD12 ILE 30 -13.577 2.301 -1.620 317 HD13 ILE 30 HD13 ILE 30 -12.619 2.213 -3.099 318 H GLN 31 H GLN 31 -16.875 2.819 -5.771 319 HA GLN 31 HA GLN 31 -18.888 3.587 -3.777 320 HB2 GLN 31 HB2 GLN 31 -19.155 2.292 -6.482 321 HB3 GLN 31 HB3 GLN 31 -20.440 2.199 -5.286 322 HG2 GLN 31 HG2 GLN 31 -20.607 4.623 -5.252 323 HG3 GLN 31 HG3 GLN 31 -19.282 4.740 -6.409 324 HE21 GLN 31 HE21 GLN 31 -19.634 4.180 -8.554 325 HE22 GLN 31 HE22 GLN 31 -21.221 4.001 -9.213 326 H THR 32 H THR 32 -18.794 2.324 -2.046 327 HA THR 32 HA THR 32 -18.092 -0.517 -2.392 328 HB THR 32 HB THR 32 -17.460 -0.558 -0.042 329 HG1 THR 32 HG1 THR 32 -17.517 1.351 1.178 330 HG21 THR 32 HG21 THR 32 -16.226 1.609 -1.720 331 HG22 THR 32 HG22 THR 32 -15.665 -0.045 -1.484 332 HG23 THR 32 HG23 THR 32 -15.550 1.126 -0.163 333 H LYS 33 H LYS 33 -18.970 -1.659 -0.184 334 HA LYS 33 HA LYS 33 -21.826 -1.692 -0.569 335 HB2 LYS 33 HB2 LYS 33 -21.781 -3.637 0.929 336 HB3 LYS 33 HB3 LYS 33 -20.594 -3.792 -0.359 337 HG2 LYS 33 HG2 LYS 33 -18.801 -3.296 1.108 338 HG3 LYS 33 HG3 LYS 33 -19.905 -2.791 2.388 339 HD2 LYS 33 HD2 LYS 33 -20.793 -5.143 2.407 340 HD3 LYS 33 HD3 LYS 33 -19.469 -5.575 1.322 341 HE2 LYS 33 HE2 LYS 33 -17.850 -4.833 2.987 342 HE3 LYS 33 HE3 LYS 33 -19.161 -4.358 4.065 343 HZ1 LYS 33 HZ1 LYS 33 -18.532 -7.115 3.159 344 HZ2 LYS 33 HZ2 LYS 33 -19.877 -6.697 4.096 345 HZ3 LYS 33 HZ3 LYS 33 -18.317 -6.490 4.717 346 H ASN 34 H ASN 34 -19.720 0.025 1.346 347 HA ASN 34 HA ASN 34 -21.694 0.363 3.506 348 HB2 ASN 34 HB2 ASN 34 -18.724 0.946 3.481 349 HB3 ASN 34 HB3 ASN 34 -19.805 1.325 4.819 350 HD21 ASN 34 HD21 ASN 34 -20.715 -0.365 6.016 351 HD22 ASN 34 HD22 ASN 34 -20.019 -1.946 6.018 352 H GLY 35 H GLY 35 -21.033 1.707 0.682 353 HA2 GLY 35 HA2 GLY 35 -22.293 3.827 0.313 354 HA3 GLY 35 HA3 GLY 35 -21.409 4.465 1.690 355 H VAL 36 H VAL 36 -20.534 6.180 0.478 356 HA VAL 36 HA VAL 36 -18.568 5.317 -1.528 357 HB VAL 36 HB VAL 36 -20.276 6.643 -2.581 358 HG11 VAL 36 HG11 VAL 36 -20.725 8.953 -1.985 359 HG12 VAL 36 HG12 VAL 36 -19.550 8.868 -0.672 360 HG13 VAL 36 HG13 VAL 36 -21.025 7.904 -0.598 361 HG21 VAL 36 HG21 VAL 36 -17.734 8.234 -2.300 362 HG22 VAL 36 HG22 VAL 36 -18.908 8.365 -3.610 363 HG23 VAL 36 HG23 VAL 36 -17.992 6.873 -3.392 364 H ARG 37 H ARG 37 -16.555 5.935 -1.433 365 HA ARG 37 HA ARG 37 -15.561 7.715 0.672 366 HB2 ARG 37 HB2 ARG 37 -13.745 6.138 0.923 367 HB3 ARG 37 HB3 ARG 37 -15.225 5.789 1.745 368 HG2 ARG 37 HG2 ARG 37 -14.885 4.585 -0.936 369 HG3 ARG 37 HG3 ARG 37 -13.945 3.899 0.387 370 HD2 ARG 37 HD2 ARG 37 -16.860 4.442 0.694 371 HD3 ARG 37 HD3 ARG 37 -16.289 2.967 -0.077 372 HE ARG 37 HE ARG 37 -14.954 2.735 2.119 373 HH11 ARG 37 HH11 ARG 37 -18.161 4.079 1.850 374 HH12 ARG 37 HH12 ARG 37 -18.628 3.616 3.452 375 HH21 ARG 37 HH21 ARG 37 -15.561 2.130 4.234 376 HH22 ARG 37 HH22 ARG 37 -17.153 2.506 4.804 377 H THR 38 H THR 38 -13.166 8.100 0.349 378 HA THR 38 HA THR 38 -12.772 8.575 -2.538 379 HB THR 38 HB THR 38 -11.380 10.594 -1.598 380 HG1 THR 38 HG1 THR 38 -11.964 11.303 0.342 381 HG21 THR 38 HG21 THR 38 -14.386 10.668 -1.765 382 HG22 THR 38 HG22 THR 38 -13.269 10.823 -3.122 383 HG23 THR 38 HG23 THR 38 -13.315 12.064 -1.870 384 H ILE 39 H ILE 39 -11.252 7.214 -3.108 385 HA ILE 39 HA ILE 39 -8.841 7.131 -1.436 386 HB ILE 39 HB ILE 39 -8.620 4.740 -2.022 387 HG12 ILE 39 HG12 ILE 39 -11.468 4.534 -2.683 388 HG13 ILE 39 HG13 ILE 39 -10.489 5.298 -3.938 389 HG21 ILE 39 HG21 ILE 39 -9.547 4.430 -0.037 390 HG22 ILE 39 HG22 ILE 39 -11.147 4.482 -0.774 391 HG23 ILE 39 HG23 ILE 39 -10.399 5.963 -0.193 392 HD11 ILE 39 HD11 ILE 39 -8.937 3.205 -3.428 393 HD12 ILE 39 HD12 ILE 39 -10.295 3.113 -4.546 394 HD13 ILE 39 HD13 ILE 39 -10.472 2.525 -2.893 395 H SER 40 H SER 40 -7.018 6.073 -2.652 396 HA SER 40 HA SER 40 -7.074 6.443 -5.519 397 HB2 SER 40 HB2 SER 40 -6.484 8.680 -4.473 398 HB3 SER 40 HB3 SER 40 -5.004 7.904 -3.879 399 HG SER 40 HG SER 40 -5.332 8.998 -6.200 400 H GLU 41 H GLU 41 -4.916 5.822 -6.449 401 HA GLU 41 HA GLU 41 -3.685 3.764 -4.788 402 HB2 GLU 41 HB2 GLU 41 -5.344 3.165 -6.749 403 HB3 GLU 41 HB3 GLU 41 -3.937 3.483 -7.745 404 HG2 GLU 41 HG2 GLU 41 -3.371 1.722 -5.497 405 HG3 GLU 41 HG3 GLU 41 -4.606 1.085 -6.581 406 H ALA 42 H ALA 42 -1.500 3.661 -4.811 407 HA ALA 42 HA ALA 42 0.022 5.210 -6.786 408 HB1 ALA 42 HB1 ALA 42 -0.409 6.724 -4.906 409 HB2 ALA 42 HB2 ALA 42 1.304 6.337 -5.063 410 HB3 ALA 42 HB3 ALA 42 0.336 5.563 -3.807 411 H ILE 43 H ILE 43 1.849 4.155 -7.376 412 HA ILE 43 HA ILE 43 2.440 1.630 -6.112 413 HB ILE 43 HB ILE 43 3.873 2.921 -8.433 414 HG12 ILE 43 HG12 ILE 43 1.549 2.704 -9.033 415 HG13 ILE 43 HG13 ILE 43 2.440 1.415 -9.834 416 HG21 ILE 43 HG21 ILE 43 4.697 0.737 -8.928 417 HG22 ILE 43 HG22 ILE 43 3.684 0.012 -7.679 418 HG23 ILE 43 HG23 ILE 43 5.027 1.061 -7.225 419 HD11 ILE 43 HD11 ILE 43 1.715 -0.110 -7.990 420 HD12 ILE 43 HD12 ILE 43 0.410 0.507 -9.007 421 HD13 ILE 43 HD13 ILE 43 0.686 1.202 -7.408 422 H VAL 44 H VAL 44 3.933 1.275 -4.686 423 HA VAL 44 HA VAL 44 6.309 2.985 -4.349 424 HB VAL 44 HB VAL 44 6.064 1.791 -1.808 425 HG11 VAL 44 HG11 VAL 44 4.995 4.320 -3.002 426 HG12 VAL 44 HG12 VAL 44 5.573 4.041 -1.352 427 HG13 VAL 44 HG13 VAL 44 3.883 3.659 -1.788 428 HG21 VAL 44 HG21 VAL 44 4.070 0.654 -2.903 429 HG22 VAL 44 HG22 VAL 44 3.311 2.255 -2.915 430 HG23 VAL 44 HG23 VAL 44 3.758 1.494 -1.377 431 H GLY 45 H GLY 45 7.943 1.841 -3.241 432 HA2 GLY 45 HA2 GLY 45 8.004 -0.822 -2.592 433 HA3 GLY 45 HA3 GLY 45 8.530 -0.780 -4.267 434 H ASP 46 H ASP 46 10.242 -1.801 -2.500 435 HA ASP 46 HA ASP 46 12.284 0.303 -2.235 436 HB2 ASP 46 HB2 ASP 46 13.123 -0.888 -0.214 437 HB3 ASP 46 HB3 ASP 46 11.508 -0.224 -0.003 438 H GLU 47 H GLU 47 14.369 -1.326 -1.435 439 HA GLU 47 HA GLU 47 15.127 -2.506 -3.914 440 HB2 GLU 47 HB2 GLU 47 17.219 -3.145 -2.617 441 HB3 GLU 47 HB3 GLU 47 16.864 -1.428 -2.738 442 HG2 GLU 47 HG2 GLU 47 16.701 -1.207 -0.532 443 HG3 GLU 47 HG3 GLU 47 15.673 -2.632 -0.384 444 H THR 48 H THR 48 13.171 -3.693 -1.558 445 HA THR 48 HA THR 48 14.161 -6.448 -1.833 446 HB THR 48 HB THR 48 13.038 -6.996 0.126 447 HG1 THR 48 HG1 THR 48 11.144 -5.465 -0.770 448 HG21 THR 48 HG21 THR 48 14.891 -5.211 0.334 449 HG22 THR 48 HG22 THR 48 13.873 -5.537 1.736 450 HG23 THR 48 HG23 THR 48 13.569 -4.115 0.738 451 H GLY 49 H GLY 49 12.098 -4.492 -3.471 452 HA2 GLY 49 HA2 GLY 49 10.952 -6.108 -5.172 453 HA3 GLY 49 HA3 GLY 49 9.980 -6.484 -3.761 454 H ARG 50 H ARG 50 8.085 -5.732 -4.640 455 HA ARG 50 HA ARG 50 7.667 -2.908 -4.483 456 HB2 ARG 50 HB2 ARG 50 8.424 -3.067 -6.780 457 HB3 ARG 50 HB3 ARG 50 7.311 -4.396 -7.086 458 HG2 ARG 50 HG2 ARG 50 5.549 -2.602 -6.281 459 HG3 ARG 50 HG3 ARG 50 6.796 -1.502 -6.860 460 HD2 ARG 50 HD2 ARG 50 5.870 -3.814 -8.526 461 HD3 ARG 50 HD3 ARG 50 4.962 -2.308 -8.492 462 HE ARG 50 HE ARG 50 7.796 -2.134 -9.111 463 HH11 ARG 50 HH11 ARG 50 4.510 -2.135 -10.263 464 HH12 ARG 50 HH12 ARG 50 4.910 -1.440 -11.798 465 HH21 ARG 50 HH21 ARG 50 8.336 -1.215 -11.124 466 HH22 ARG 50 HH22 ARG 50 7.089 -0.918 -12.288 467 H VAL 51 H VAL 51 5.585 -2.434 -4.106 468 HA VAL 51 HA VAL 51 3.511 -4.438 -4.330 469 HB VAL 51 HB VAL 51 4.354 -4.944 -2.138 470 HG11 VAL 51 HG11 VAL 51 4.059 -2.008 -1.504 471 HG12 VAL 51 HG12 VAL 51 5.579 -2.880 -1.701 472 HG13 VAL 51 HG13 VAL 51 4.507 -3.270 -0.357 473 HG21 VAL 51 HG21 VAL 51 1.875 -3.263 -1.988 474 HG22 VAL 51 HG22 VAL 51 2.392 -4.410 -0.752 475 HG23 VAL 51 HG23 VAL 51 1.960 -4.981 -2.364 476 H LYS 52 H LYS 52 1.581 -3.554 -4.822 477 HA LYS 52 HA LYS 52 1.356 -0.795 -5.372 478 HB2 LYS 52 HB2 LYS 52 -1.027 -2.596 -5.102 479 HB3 LYS 52 HB3 LYS 52 -0.762 -1.285 -6.242 480 HG2 LYS 52 HG2 LYS 52 1.253 -3.230 -6.689 481 HG3 LYS 52 HG3 LYS 52 -0.295 -4.070 -6.580 482 HD2 LYS 52 HD2 LYS 52 -1.224 -2.772 -8.334 483 HD3 LYS 52 HD3 LYS 52 0.128 -1.639 -8.304 484 HE2 LYS 52 HE2 LYS 52 0.330 -3.121 -10.210 485 HE3 LYS 52 HE3 LYS 52 1.630 -3.443 -9.061 486 HZ1 LYS 52 HZ1 LYS 52 0.379 -5.346 -8.242 487 HZ2 LYS 52 HZ2 LYS 52 0.659 -5.490 -9.904 488 HZ3 LYS 52 HZ3 LYS 52 -0.869 -5.033 -9.341 489 H LEU 53 H LEU 53 0.667 0.880 -4.155 490 HA LEU 53 HA LEU 53 -0.329 0.330 -1.454 491 HB2 LEU 53 HB2 LEU 53 1.745 1.777 -1.975 492 HB3 LEU 53 HB3 LEU 53 0.602 3.004 -2.467 493 HG LEU 53 HG LEU 53 1.583 3.139 -0.105 494 HD11 LEU 53 HD11 LEU 53 -0.293 4.509 -0.811 495 HD12 LEU 53 HD12 LEU 53 -0.502 3.968 0.854 496 HD13 LEU 53 HD13 LEU 53 -1.413 3.194 -0.444 497 HD21 LEU 53 HD21 LEU 53 0.493 1.842 1.610 498 HD22 LEU 53 HD22 LEU 53 1.280 0.770 0.452 499 HD23 LEU 53 HD23 LEU 53 -0.469 0.998 0.401 500 H THR 54 H THR 54 -2.194 1.101 -0.735 501 HA THR 54 HA THR 54 -3.967 2.565 -2.539 502 HB THR 54 HB THR 54 -5.175 0.609 -0.626 503 HG1 THR 54 HG1 THR 54 -3.973 -0.002 -3.142 504 HG21 THR 54 HG21 THR 54 -6.081 2.429 -2.514 505 HG22 THR 54 HG22 THR 54 -7.037 1.166 -1.743 506 HG23 THR 54 HG23 THR 54 -6.270 0.866 -3.300 507 H LEU 55 H LEU 55 -4.151 4.463 -1.631 508 HA LEU 55 HA LEU 55 -4.111 4.896 1.204 509 HB2 LEU 55 HB2 LEU 55 -4.920 6.909 -0.818 510 HB3 LEU 55 HB3 LEU 55 -3.999 7.136 0.641 511 HG LEU 55 HG LEU 55 -2.568 5.397 -1.110 512 HD11 LEU 55 HD11 LEU 55 -2.140 7.476 -2.697 513 HD12 LEU 55 HD12 LEU 55 -3.832 7.741 -2.297 514 HD13 LEU 55 HD13 LEU 55 -3.341 6.230 -3.047 515 HD21 LEU 55 HD21 LEU 55 -1.600 6.725 0.710 516 HD22 LEU 55 HD22 LEU 55 -1.962 8.194 -0.201 517 HD23 LEU 55 HD23 LEU 55 -0.812 7.020 -0.841 518 H TRP 56 H TRP 56 -5.865 5.858 2.403 519 HA TRP 56 HA TRP 56 -8.477 5.471 1.136 520 HB2 TRP 56 HB2 TRP 56 -7.424 4.287 3.658 521 HB3 TRP 56 HB3 TRP 56 -9.157 4.568 3.490 522 HD1 TRP 56 HD1 TRP 56 -6.320 2.399 2.109 523 HE1 TRP 56 HE1 TRP 56 -7.304 0.534 0.659 524 HE3 TRP 56 HE3 TRP 56 -11.186 3.948 2.062 525 HZ2 TRP 56 HZ2 TRP 56 -9.962 -0.229 -0.320 526 HZ3 TRP 56 HZ3 TRP 56 -12.840 2.616 0.864 527 HH2 TRP 56 HH2 TRP 56 -12.229 0.601 -0.309 528 H GLY 57 H GLY 57 -9.740 7.086 1.192 529 HA2 GLY 57 HA2 GLY 57 -10.944 8.891 1.806 530 HA3 GLY 57 HA3 GLY 57 -10.394 8.673 3.437 531 H LYS 58 H LYS 58 -8.662 10.002 4.189 532 HA LYS 58 HA LYS 58 -8.181 12.333 2.546 533 HB2 LYS 58 HB2 LYS 58 -6.718 12.930 4.675 534 HB3 LYS 58 HB3 LYS 58 -8.467 13.095 4.672 535 HG2 LYS 58 HG2 LYS 58 -7.944 12.054 6.700 536 HG3 LYS 58 HG3 LYS 58 -8.536 10.757 5.661 537 HD2 LYS 58 HD2 LYS 58 -5.885 10.706 5.096 538 HD3 LYS 58 HD3 LYS 58 -5.859 11.205 6.789 539 HE2 LYS 58 HE2 LYS 58 -7.474 8.866 5.828 540 HE3 LYS 58 HE3 LYS 58 -5.779 8.712 6.291 541 HZ1 LYS 58 HZ1 LYS 58 -7.203 8.182 8.151 542 HZ2 LYS 58 HZ2 LYS 58 -8.004 9.667 8.023 543 HZ3 LYS 58 HZ3 LYS 58 -6.377 9.621 8.483 544 H HIS 59 H HIS 59 -6.427 9.452 3.318 545 HA HIS 59 HA HIS 59 -3.821 10.400 2.702 546 HB2 HIS 59 HB2 HIS 59 -5.096 7.691 2.957 547 HB3 HIS 59 HB3 HIS 59 -3.481 7.849 2.280 548 HD2 HIS 59 HD2 HIS 59 -4.787 6.934 5.561 549 HE1 HIS 59 HE1 HIS 59 -1.409 9.362 6.443 550 HE2 HIS 59 HE2 HIS 59 -3.083 7.702 7.327 551 H ALA 60 H ALA 60 -6.564 9.457 0.871 552 HA ALA 60 HA ALA 60 -5.460 8.582 -1.508 553 HB1 ALA 60 HB1 ALA 60 -7.573 8.568 -2.227 554 HB2 ALA 60 HB2 ALA 60 -7.796 10.283 -1.873 555 HB3 ALA 60 HB3 ALA 60 -7.988 9.087 -0.590 556 H GLY 61 H GLY 61 -4.231 9.509 -3.003 557 HA2 GLY 61 HA2 GLY 61 -3.134 11.100 -4.217 558 HA3 GLY 61 HA3 GLY 61 -4.577 12.032 -4.057 559 H SER 62 H SER 62 -3.407 11.365 -1.004 560 HA SER 62 HA SER 62 -2.567 14.114 -0.681 561 HB2 SER 62 HB2 SER 62 -3.939 13.323 1.077 562 HB3 SER 62 HB3 SER 62 -3.001 11.824 1.237 563 HG SER 62 HG SER 62 -1.558 12.846 2.411 564 H ILE 63 H ILE 63 -1.062 11.091 -1.215 565 HA ILE 63 HA ILE 63 1.420 11.693 0.079 566 HB ILE 63 HB ILE 63 2.297 9.758 -1.354 567 HG12 ILE 63 HG12 ILE 63 -0.235 8.561 -1.828 568 HG13 ILE 63 HG13 ILE 63 -0.280 10.160 -2.558 569 HG21 ILE 63 HG21 ILE 63 1.237 8.112 0.086 570 HG22 ILE 63 HG22 ILE 63 -0.071 9.232 0.466 571 HG23 ILE 63 HG23 ILE 63 1.571 9.578 1.008 572 HD11 ILE 63 HD11 ILE 63 0.476 8.571 -4.180 573 HD12 ILE 63 HD12 ILE 63 1.736 7.995 -3.089 574 HD13 ILE 63 HD13 ILE 63 1.818 9.630 -3.747 575 H LYS 64 H LYS 64 3.495 11.510 -1.282 576 HA LYS 64 HA LYS 64 3.315 13.538 -3.388 577 HB2 LYS 64 HB2 LYS 64 5.249 12.923 -1.258 578 HB3 LYS 64 HB3 LYS 64 5.969 13.313 -2.814 579 HG2 LYS 64 HG2 LYS 64 4.563 15.392 -2.833 580 HG3 LYS 64 HG3 LYS 64 4.132 15.022 -1.162 581 HD2 LYS 64 HD2 LYS 64 6.770 14.830 -0.926 582 HD3 LYS 64 HD3 LYS 64 6.721 15.927 -2.308 583 HE2 LYS 64 HE2 LYS 64 5.494 17.549 -1.090 584 HE3 LYS 64 HE3 LYS 64 5.164 16.415 0.220 585 HZ1 LYS 64 HZ1 LYS 64 6.900 17.984 0.819 586 HZ2 LYS 64 HZ2 LYS 64 7.839 17.489 -0.498 587 HZ3 LYS 64 HZ3 LYS 64 7.516 16.409 0.764 588 H GLU 65 H GLU 65 5.532 13.257 -4.757 589 HA GLU 65 HA GLU 65 5.212 10.772 -6.203 590 HB2 GLU 65 HB2 GLU 65 6.047 13.469 -6.821 591 HB3 GLU 65 HB3 GLU 65 7.276 12.323 -7.334 592 HG2 GLU 65 HG2 GLU 65 5.836 11.248 -8.823 593 HG3 GLU 65 HG3 GLU 65 4.417 11.912 -8.003 594 H GLY 66 H GLY 66 7.677 10.244 -7.207 595 HA2 GLY 66 HA2 GLY 66 8.830 8.542 -5.453 596 HA3 GLY 66 HA3 GLY 66 9.747 9.354 -6.700 597 H GLN 67 H GLN 67 8.760 9.415 -3.356 598 HA GLN 67 HA GLN 67 11.160 10.905 -2.603 599 HB2 GLN 67 HB2 GLN 67 9.892 12.261 -1.020 600 HB3 GLN 67 HB3 GLN 67 9.289 12.540 -2.648 601 HG2 GLN 67 HG2 GLN 67 7.272 12.222 -1.805 602 HG3 GLN 67 HG3 GLN 67 7.685 10.510 -1.776 603 HE21 GLN 67 HE21 GLN 67 8.445 9.602 0.171 604 HE22 GLN 67 HE22 GLN 67 8.066 10.321 1.696 605 H VAL 68 H VAL 68 11.613 10.550 -0.179 606 HA VAL 68 HA VAL 68 11.224 7.775 0.354 607 HB VAL 68 HB VAL 68 12.574 9.719 2.200 608 HG11 VAL 68 HG11 VAL 68 12.621 6.829 1.652 609 HG12 VAL 68 HG12 VAL 68 12.363 7.647 3.187 610 HG13 VAL 68 HG13 VAL 68 13.981 7.575 2.487 611 HG21 VAL 68 HG21 VAL 68 14.648 9.278 1.045 612 HG22 VAL 68 HG22 VAL 68 13.472 10.077 -0.016 613 HG23 VAL 68 HG23 VAL 68 13.740 8.307 -0.138 614 H VAL 69 H VAL 69 9.468 7.086 1.340 615 HA VAL 69 HA VAL 69 8.249 8.779 3.421 616 HB VAL 69 HB VAL 69 6.322 6.898 2.661 617 HG11 VAL 69 HG11 VAL 69 5.017 8.798 2.032 618 HG12 VAL 69 HG12 VAL 69 6.465 9.786 1.823 619 HG13 VAL 69 HG13 VAL 69 6.000 9.230 3.432 620 HG21 VAL 69 HG21 VAL 69 8.037 7.485 0.424 621 HG22 VAL 69 HG22 VAL 69 6.400 8.068 0.126 622 HG23 VAL 69 HG23 VAL 69 6.673 6.372 0.529 623 H LYS 70 H LYS 70 6.737 7.274 4.831 624 HA LYS 70 HA LYS 70 8.071 4.741 5.406 625 HB2 LYS 70 HB2 LYS 70 9.033 6.614 6.838 626 HB3 LYS 70 HB3 LYS 70 7.452 6.717 7.599 627 HG2 LYS 70 HG2 LYS 70 8.092 4.021 7.708 628 HG3 LYS 70 HG3 LYS 70 9.607 4.854 8.064 629 HD2 LYS 70 HD2 LYS 70 8.319 6.238 9.733 630 HD3 LYS 70 HD3 LYS 70 6.966 5.131 9.487 631 HE2 LYS 70 HE2 LYS 70 8.408 3.255 10.165 632 HE3 LYS 70 HE3 LYS 70 9.723 4.392 10.462 633 HZ1 LYS 70 HZ1 LYS 70 8.572 3.822 12.505 634 HZ2 LYS 70 HZ2 LYS 70 7.105 4.371 11.867 635 HZ3 LYS 70 HZ3 LYS 70 8.364 5.464 12.151 636 H ILE 71 H ILE 71 6.449 3.357 5.117 637 HA ILE 71 HA ILE 71 3.722 4.048 5.687 638 HB ILE 71 HB ILE 71 4.896 1.350 5.013 639 HG12 ILE 71 HG12 ILE 71 5.209 3.290 3.356 640 HG13 ILE 71 HG13 ILE 71 4.486 1.801 2.743 641 HG21 ILE 71 HG21 ILE 71 2.091 2.373 5.246 642 HG22 ILE 71 HG22 ILE 71 2.801 0.906 5.923 643 HG23 ILE 71 HG23 ILE 71 2.474 1.012 4.193 644 HD11 ILE 71 HD11 ILE 71 3.444 3.984 1.996 645 HD12 ILE 71 HD12 ILE 71 2.873 4.179 3.654 646 HD13 ILE 71 HD13 ILE 71 2.330 2.806 2.690 647 H GLU 72 H GLU 72 2.394 3.253 7.376 648 HA GLU 72 HA GLU 72 3.858 2.065 9.568 649 HB2 GLU 72 HB2 GLU 72 2.698 4.497 9.576 650 HB3 GLU 72 HB3 GLU 72 1.375 3.552 10.152 651 HG2 GLU 72 HG2 GLU 72 3.844 2.878 11.481 652 HG3 GLU 72 HG3 GLU 72 3.475 4.595 11.631 653 H ASN 73 H ASN 73 2.048 1.336 11.119 654 HA ASN 73 HA ASN 73 1.052 -1.096 10.331 655 HB2 ASN 73 HB2 ASN 73 1.120 0.345 12.630 656 HB3 ASN 73 HB3 ASN 73 -0.562 0.373 12.209 657 HD21 ASN 73 HD21 ASN 73 -1.743 -1.333 12.930 658 HD22 ASN 73 HD22 ASN 73 -1.123 -2.860 13.427 659 H ALA 74 H ALA 74 -0.080 -1.236 8.494 660 HA ALA 74 HA ALA 74 -2.733 0.050 8.484 661 HB1 ALA 74 HB1 ALA 74 -1.524 1.017 6.701 662 HB2 ALA 74 HB2 ALA 74 -2.565 -0.205 5.969 663 HB3 ALA 74 HB3 ALA 74 -0.851 -0.539 6.216 664 H TRP 75 H TRP 75 -1.872 -2.178 6.042 665 HA TRP 75 HA TRP 75 -2.397 -4.660 7.160 666 HB2 TRP 75 HB2 TRP 75 -4.745 -5.024 6.399 667 HB3 TRP 75 HB3 TRP 75 -4.590 -3.938 7.771 668 HD1 TRP 75 HD1 TRP 75 -5.301 -3.810 3.971 669 HE1 TRP 75 HE1 TRP 75 -6.700 -1.731 3.520 670 HE3 TRP 75 HE3 TRP 75 -5.215 -1.684 8.587 671 HZ2 TRP 75 HZ2 TRP 75 -7.655 0.490 4.875 672 HZ3 TRP 75 HZ3 TRP 75 -6.401 0.448 8.932 673 HH2 TRP 75 HH2 TRP 75 -7.609 1.528 7.082 674 H THR 76 H THR 76 -3.217 -6.222 5.523 675 HA THR 76 HA THR 76 -2.452 -5.453 2.811 676 HB THR 76 HB THR 76 -1.360 -7.785 2.663 677 HG1 THR 76 HG1 THR 76 -0.369 -8.297 4.787 678 HG21 THR 76 HG21 THR 76 0.814 -6.878 3.598 679 HG22 THR 76 HG22 THR 76 -0.104 -5.443 4.071 680 HG23 THR 76 HG23 THR 76 0.011 -5.894 2.368 681 H THR 77 H THR 77 -3.710 -6.301 1.304 682 HA THR 77 HA THR 77 -5.497 -8.511 2.046 683 HB THR 77 HB THR 77 -7.417 -7.463 1.225 684 HG1 THR 77 HG1 THR 77 -6.310 -6.723 -0.740 685 HG21 THR 77 HG21 THR 77 -7.319 -5.012 2.099 686 HG22 THR 77 HG22 THR 77 -5.686 -5.425 2.620 687 HG23 THR 77 HG23 THR 77 -7.065 -6.323 3.249 688 H ALA 78 H ALA 78 -5.535 -10.109 0.547 689 HA ALA 78 HA ALA 78 -3.824 -9.775 -1.764 690 HB1 ALA 78 HB1 ALA 78 -3.624 -11.776 -0.381 691 HB2 ALA 78 HB2 ALA 78 -4.047 -12.178 -2.046 692 HB3 ALA 78 HB3 ALA 78 -5.282 -12.222 -0.787 693 H PHE 79 H PHE 79 -4.731 -8.765 -3.467 694 HA PHE 79 HA PHE 79 -7.423 -9.465 -4.261 695 HB2 PHE 79 HB2 PHE 79 -6.419 -7.043 -4.054 696 HB3 PHE 79 HB3 PHE 79 -5.759 -7.410 -5.662 697 HD1 PHE 79 HD1 PHE 79 -8.850 -7.272 -3.692 698 HD2 PHE 79 HD2 PHE 79 -7.121 -7.348 -7.556 699 HE1 PHE 79 HE1 PHE 79 -11.028 -6.851 -4.669 700 HE2 PHE 79 HE2 PHE 79 -9.300 -6.897 -8.544 701 HZ PHE 79 HZ PHE 79 -11.284 -6.647 -7.107 702 H LYS 80 H LYS 80 -7.731 -10.918 -5.776 703 HA LYS 80 HA LYS 80 -7.486 -12.268 -7.572 704 HB2 LYS 80 HB2 LYS 80 -5.489 -10.201 -8.492 705 HB3 LYS 80 HB3 LYS 80 -6.232 -11.437 -9.502 706 HG2 LYS 80 HG2 LYS 80 -7.762 -9.309 -8.036 707 HG3 LYS 80 HG3 LYS 80 -7.237 -9.167 -9.710 708 HD2 LYS 80 HD2 LYS 80 -8.580 -11.120 -10.300 709 HD3 LYS 80 HD3 LYS 80 -9.074 -11.295 -8.612 710 HE2 LYS 80 HE2 LYS 80 -10.007 -8.972 -8.747 711 HE3 LYS 80 HE3 LYS 80 -9.696 -9.017 -10.480 712 HZ1 LYS 80 HZ1 LYS 80 -11.979 -9.601 -9.994 713 HZ2 LYS 80 HZ2 LYS 80 -11.479 -10.872 -8.996 714 HZ3 LYS 80 HZ3 LYS 80 -11.168 -10.928 -10.658 715 H GLY 81 H GLY 81 -5.507 -12.354 -5.192 716 HA2 GLY 81 HA2 GLY 81 -4.240 -14.344 -4.765 717 HA3 GLY 81 HA3 GLY 81 -3.800 -14.389 -6.464 718 H GLN 82 H GLN 82 -3.390 -11.283 -5.975 719 HA GLN 82 HA GLN 82 -0.605 -11.624 -5.099 720 HB2 GLN 82 HB2 GLN 82 -1.013 -8.987 -6.029 721 HB3 GLN 82 HB3 GLN 82 -0.058 -10.259 -6.779 722 HG2 GLN 82 HG2 GLN 82 -1.516 -10.487 -8.438 723 HG3 GLN 82 HG3 GLN 82 -2.886 -10.545 -7.332 724 HE21 GLN 82 HE21 GLN 82 -2.447 -8.001 -6.128 725 HE22 GLN 82 HE22 GLN 82 -2.844 -6.797 -7.300 726 H VAL 83 H VAL 83 0.227 -10.426 -3.402 727 HA VAL 83 HA VAL 83 -1.677 -9.515 -1.487 728 HB VAL 83 HB VAL 83 1.280 -8.939 -1.337 729 HG11 VAL 83 HG11 VAL 83 0.493 -9.648 1.142 730 HG12 VAL 83 HG12 VAL 83 -0.988 -8.920 0.518 731 HG13 VAL 83 HG13 VAL 83 0.510 -7.992 0.539 732 HG21 VAL 83 HG21 VAL 83 1.045 -11.291 -1.946 733 HG22 VAL 83 HG22 VAL 83 -0.075 -11.529 -0.606 734 HG23 VAL 83 HG23 VAL 83 1.609 -11.116 -0.285 735 H GLN 84 H GLN 84 -1.835 -7.358 -0.594 736 HA GLN 84 HA GLN 84 -0.752 -5.201 -2.230 737 HB2 GLN 84 HB2 GLN 84 -3.168 -6.051 -2.954 738 HB3 GLN 84 HB3 GLN 84 -3.666 -5.026 -1.618 739 HG2 GLN 84 HG2 GLN 84 -2.636 -3.109 -2.640 740 HG3 GLN 84 HG3 GLN 84 -1.972 -4.114 -3.928 741 HE21 GLN 84 HE21 GLN 84 -4.817 -2.620 -2.623 742 HE22 GLN 84 HE22 GLN 84 -5.829 -2.848 -4.033 743 H LEU 85 H LEU 85 -0.866 -3.138 -1.199 744 HA LEU 85 HA LEU 85 -1.252 -3.328 1.718 745 HB2 LEU 85 HB2 LEU 85 1.075 -2.924 0.390 746 HB3 LEU 85 HB3 LEU 85 0.570 -1.273 0.669 747 HG LEU 85 HG LEU 85 0.327 -2.812 3.097 748 HD11 LEU 85 HD11 LEU 85 2.729 -3.197 3.459 749 HD12 LEU 85 HD12 LEU 85 3.037 -2.776 1.774 750 HD13 LEU 85 HD13 LEU 85 2.082 -4.206 2.165 751 HD21 LEU 85 HD21 LEU 85 1.833 -1.004 3.902 752 HD22 LEU 85 HD22 LEU 85 0.401 -0.414 3.057 753 HD23 LEU 85 HD23 LEU 85 1.962 -0.433 2.237 754 H ASN 86 H ASN 86 -2.088 -1.492 2.795 755 HA ASN 86 HA ASN 86 -3.151 0.658 1.067 756 HB2 ASN 86 HB2 ASN 86 -4.762 -0.668 3.249 757 HB3 ASN 86 HB3 ASN 86 -5.309 0.560 2.134 758 HD21 ASN 86 HD21 ASN 86 -4.152 -2.691 2.388 759 HD22 ASN 86 HD22 ASN 86 -4.926 -3.293 0.963 760 H ALA 87 H ALA 87 -4.078 2.464 2.463 761 HA ALA 87 HA ALA 87 -2.754 2.531 5.077 762 HB1 ALA 87 HB1 ALA 87 -2.653 4.831 3.142 763 HB2 ALA 87 HB2 ALA 87 -1.335 3.684 3.380 764 HB3 ALA 87 HB3 ALA 87 -1.858 4.716 4.711 765 H GLY 88 H GLY 88 -4.244 2.895 6.538 766 HA2 GLY 88 HA2 GLY 88 -6.463 4.703 5.874 767 HA3 GLY 88 HA3 GLY 88 -6.620 3.334 6.870 768 H SER 89 H SER 89 -7.071 3.886 8.861 769 HA SER 89 HA SER 89 -6.238 6.432 9.859 770 HB2 SER 89 HB2 SER 89 -7.859 4.234 11.152 771 HB3 SER 89 HB3 SER 89 -7.546 5.802 11.896 772 HG SER 89 HG SER 89 -9.502 5.242 10.309 773 H LYS 90 H LYS 90 -5.616 3.062 11.129 774 HA LYS 90 HA LYS 90 -3.857 4.090 13.134 775 HB2 LYS 90 HB2 LYS 90 -3.178 1.828 13.629 776 HB3 LYS 90 HB3 LYS 90 -4.911 1.857 13.436 777 HG2 LYS 90 HG2 LYS 90 -3.364 1.169 11.034 778 HG3 LYS 90 HG3 LYS 90 -3.309 0.018 12.361 779 HD2 LYS 90 HD2 LYS 90 -5.992 0.775 12.144 780 HD3 LYS 90 HD3 LYS 90 -5.424 0.534 10.492 781 HE2 LYS 90 HE2 LYS 90 -5.054 -1.688 10.791 782 HE3 LYS 90 HE3 LYS 90 -4.633 -1.497 12.492 783 HZ1 LYS 90 HZ1 LYS 90 -6.955 -1.224 13.019 784 HZ2 LYS 90 HZ2 LYS 90 -6.729 -2.677 12.183 785 HZ3 LYS 90 HZ3 LYS 90 -7.382 -1.336 11.385 786 H THR 91 H THR 91 -3.542 4.035 9.932 787 HA THR 91 HA THR 91 -0.666 3.510 9.865 788 HB THR 91 HB THR 91 -2.310 4.416 7.507 789 HG1 THR 91 HG1 THR 91 -2.313 1.836 8.691 790 HG21 THR 91 HG21 THR 91 0.017 2.512 7.795 791 HG22 THR 91 HG22 THR 91 0.100 4.180 7.226 792 HG23 THR 91 HG23 THR 91 -0.759 2.967 6.278 793 H LYS 92 H LYS 92 0.744 5.195 9.870 794 HA LYS 92 HA LYS 92 -0.282 7.890 9.263 795 HB2 LYS 92 HB2 LYS 92 1.068 6.894 11.627 796 HB3 LYS 92 HB3 LYS 92 1.985 8.193 10.878 797 HG2 LYS 92 HG2 LYS 92 0.561 9.177 12.487 798 HG3 LYS 92 HG3 LYS 92 -0.104 9.568 10.901 799 HD2 LYS 92 HD2 LYS 92 -1.721 7.726 11.149 800 HD3 LYS 92 HD3 LYS 92 -1.073 7.391 12.757 801 HE2 LYS 92 HE2 LYS 92 -1.685 9.668 13.455 802 HE3 LYS 92 HE3 LYS 92 -2.370 9.961 11.857 803 HZ1 LYS 92 HZ1 LYS 92 -4.088 9.376 13.432 804 HZ2 LYS 92 HZ2 LYS 92 -3.306 7.924 13.805 805 HZ3 LYS 92 HZ3 LYS 92 -3.949 8.163 12.259 806 H ILE 93 H ILE 93 0.540 8.463 7.323 807 HA ILE 93 HA ILE 93 3.159 7.391 6.570 808 HB ILE 93 HB ILE 93 1.456 9.080 4.767 809 HG12 ILE 93 HG12 ILE 93 1.171 6.086 5.149 810 HG13 ILE 93 HG13 ILE 93 0.017 7.286 5.716 811 HG21 ILE 93 HG21 ILE 93 3.743 8.555 4.081 812 HG22 ILE 93 HG22 ILE 93 2.558 7.783 3.021 813 HG23 ILE 93 HG23 ILE 93 3.397 6.830 4.246 814 HD11 ILE 93 HD11 ILE 93 0.697 6.575 2.883 815 HD12 ILE 93 HD12 ILE 93 -0.223 8.014 3.322 816 HD13 ILE 93 HD13 ILE 93 -0.849 6.413 3.717 817 H ALA 94 H ALA 94 4.924 8.626 6.111 818 HA ALA 94 HA ALA 94 4.868 11.523 5.911 819 HB1 ALA 94 HB1 ALA 94 6.188 11.962 7.857 820 HB2 ALA 94 HB2 ALA 94 5.970 10.290 8.446 821 HB3 ALA 94 HB3 ALA 94 4.577 11.380 8.337 822 H GLU 95 H GLU 95 6.809 12.462 5.280 823 HA GLU 95 HA GLU 95 8.554 10.826 3.806 824 HB2 GLU 95 HB2 GLU 95 9.261 13.633 4.651 825 HB3 GLU 95 HB3 GLU 95 9.516 12.701 3.343 826 HG2 GLU 95 HG2 GLU 95 8.072 13.783 2.325 827 HG3 GLU 95 HG3 GLU 95 6.960 12.736 3.028 828 H ALA 96 H ALA 96 10.433 9.995 4.227 829 HA ALA 96 HA ALA 96 11.609 10.405 6.915 830 HB1 ALA 96 HB1 ALA 96 12.063 8.112 7.203 831 HB2 ALA 96 HB2 ALA 96 11.706 7.756 5.506 832 HB3 ALA 96 HB3 ALA 96 10.396 8.182 6.620 833 H SER 97 H SER 97 13.788 10.670 7.002 834 HA SER 97 HA SER 97 15.219 10.615 4.429 835 HB2 SER 97 HB2 SER 97 16.808 12.207 5.592 836 HB3 SER 97 HB3 SER 97 15.224 12.819 5.239 837 HG SER 97 HG SER 97 15.399 11.597 7.685 838 H GLU 98 H GLU 98 16.789 9.172 4.176 839 HA GLU 98 HA GLU 98 18.107 8.084 6.571 840 HB2 GLU 98 HB2 GLU 98 17.133 6.537 4.161 841 HB3 GLU 98 HB3 GLU 98 18.145 5.855 5.402 842 HG2 GLU 98 HG2 GLU 98 15.727 7.102 6.396 843 HG3 GLU 98 HG3 GLU 98 15.514 5.654 5.413 844 H ASP 99 H ASP 99 19.819 6.326 4.988 845 HA ASP 99 HA ASP 99 21.788 8.196 4.220 846 HB2 ASP 99 HB2 ASP 99 21.651 5.202 4.408 847 HB3 ASP 99 HB3 ASP 99 23.014 5.980 3.609 848 H GLY 100 H GLY 100 19.203 7.809 2.611 849 HA2 GLY 100 HA2 GLY 100 19.021 8.383 0.315 850 HA3 GLY 100 HA3 GLY 100 20.581 7.639 0.000 851 H PHE 101 H PHE 101 17.175 7.003 0.614 852 HA PHE 101 HA PHE 101 17.217 4.216 0.315 853 HB2 PHE 101 HB2 PHE 101 15.276 6.177 0.752 854 HB3 PHE 101 HB3 PHE 101 14.801 5.416 -0.762 855 HD1 PHE 101 HD2 PHE 101 15.917 4.491 2.680 856 HD2 PHE 101 HD1 PHE 101 13.470 3.548 -0.670 857 HE1 PHE 101 HE2 PHE 101 14.953 2.611 3.922 858 HE2 PHE 101 HE1 PHE 101 12.477 1.700 0.535 859 HZ PHE 101 HZ PHE 101 13.231 1.198 2.876 860 HA PRO 102 HA PRO 102 18.102 3.382 -3.932 861 HB2 PRO 102 HB2 PRO 102 15.701 1.614 -3.834 862 HB3 PRO 102 HB3 PRO 102 17.348 1.247 -4.368 863 HG2 PRO 102 HG2 PRO 102 16.497 0.380 -2.016 864 HG3 PRO 102 HG3 PRO 102 18.152 0.992 -2.212 865 HD2 PRO 102 HD2 PRO 102 15.792 2.296 -0.939 866 HD3 PRO 102 HD3 PRO 102 17.518 2.381 -0.498 867 H GLU 103 H GLU 103 17.494 4.110 -5.920 868 HA GLU 103 HA GLU 103 15.284 5.916 -6.063 869 HB2 GLU 103 HB2 GLU 103 17.625 5.893 -7.313 870 HB3 GLU 103 HB3 GLU 103 16.707 5.006 -8.521 871 HG2 GLU 103 HG2 GLU 103 15.227 6.819 -8.862 872 HG3 GLU 103 HG3 GLU 103 15.832 7.669 -7.441 873 H SER 104 H SER 104 13.630 5.835 -7.762 874 HA SER 104 HA SER 104 12.171 3.424 -7.673 875 HB2 SER 104 HB2 SER 104 11.709 5.591 -9.716 876 HB3 SER 104 HB3 SER 104 10.523 4.537 -8.947 877 HG SER 104 HG SER 104 12.020 6.589 -7.678 878 H SER 105 H SER 105 14.517 4.665 -9.909 879 HA SER 105 HA SER 105 13.834 2.814 -12.017 880 HB2 SER 105 HB2 SER 105 15.387 5.185 -11.798 881 HB3 SER 105 HB3 SER 105 16.455 3.903 -12.368 882 HG SER 105 HG SER 105 15.331 3.742 -14.176 883 H GLN 106 H GLN 106 15.370 2.498 -9.110 884 HA GLN 106 HA GLN 106 16.948 0.207 -10.082 885 HB2 GLN 106 HB2 GLN 106 17.619 1.889 -7.676 886 HB3 GLN 106 HB3 GLN 106 18.588 0.629 -8.366 887 HG2 GLN 106 HG2 GLN 106 18.621 2.123 -10.479 888 HG3 GLN 106 HG3 GLN 106 18.044 3.384 -9.390 889 HE21 GLN 106 HE21 GLN 106 20.421 0.782 -8.998 890 HE22 GLN 106 HE22 GLN 106 21.733 1.813 -8.552 891 H ILE 107 H ILE 107 14.186 0.846 -8.715 892 HA ILE 107 HA ILE 107 14.402 -0.936 -6.412 893 HB ILE 107 HB ILE 107 12.360 1.026 -7.354 894 HG12 ILE 107 HG12 ILE 107 13.188 0.410 -4.531 895 HG13 ILE 107 HG13 ILE 107 14.226 1.363 -5.587 896 HG21 ILE 107 HG21 ILE 107 10.677 0.142 -5.818 897 HG22 ILE 107 HG22 ILE 107 11.721 -1.244 -5.456 898 HG23 ILE 107 HG23 ILE 107 11.057 -1.025 -7.084 899 HD11 ILE 107 HD11 ILE 107 11.415 2.196 -5.397 900 HD12 ILE 107 HD12 ILE 107 12.896 3.153 -5.518 901 HD13 ILE 107 HD13 ILE 107 12.425 2.422 -3.967 902 HA PRO 108 HA PRO 108 13.253 -4.463 -8.943 903 HB2 PRO 108 HB2 PRO 108 12.412 -5.482 -6.271 904 HB3 PRO 108 HB3 PRO 108 13.434 -6.247 -7.496 905 HG2 PRO 108 HG2 PRO 108 14.530 -5.217 -5.319 906 HG3 PRO 108 HG3 PRO 108 15.313 -5.033 -6.902 907 HD2 PRO 108 HD2 PRO 108 13.766 -3.032 -5.320 908 HD3 PRO 108 HD3 PRO 108 15.204 -2.805 -6.337 909 H GLU 109 H GLU 109 11.309 -5.754 -9.319 910 HA GLU 109 HA GLU 109 8.851 -4.321 -8.541 911 HB2 GLU 109 HB2 GLU 109 7.947 -5.135 -10.781 912 HB3 GLU 109 HB3 GLU 109 9.148 -3.852 -10.842 913 HG2 GLU 109 HG2 GLU 109 10.847 -5.358 -11.527 914 HG3 GLU 109 HG3 GLU 109 9.826 -6.757 -11.199 915 H ASN 110 H ASN 110 10.424 -6.928 -7.756 916 HA ASN 110 HA ASN 110 8.871 -9.161 -8.296 917 HB2 ASN 110 HB2 ASN 110 11.130 -8.787 -6.911 918 HB3 ASN 110 HB3 ASN 110 10.010 -8.913 -5.558 919 HD21 ASN 110 HD21 ASN 110 11.893 -10.599 -7.745 920 HD22 ASN 110 HD22 ASN 110 11.253 -12.180 -7.476 921 H THR 111 H THR 111 6.859 -9.697 -7.806 922 HA THR 111 HA THR 111 5.361 -8.099 -5.901 923 HB THR 111 HB THR 111 3.740 -10.185 -6.946 924 HG1 THR 111 HG1 THR 111 5.504 -9.005 -8.836 925 HG21 THR 111 HG21 THR 111 3.053 -7.869 -6.372 926 HG22 THR 111 HG22 THR 111 2.531 -8.358 -7.985 927 HG23 THR 111 HG23 THR 111 3.921 -7.291 -7.793 928 HA PRO 112 HA PRO 112 6.248 -11.156 -2.701 929 HB2 PRO 112 HB2 PRO 112 4.144 -9.590 -1.309 930 HB3 PRO 112 HB3 PRO 112 5.767 -10.039 -0.763 931 HG2 PRO 112 HG2 PRO 112 5.269 -7.548 -1.511 932 HG3 PRO 112 HG3 PRO 112 6.798 -8.339 -1.950 933 HD2 PRO 112 HD2 PRO 112 4.388 -7.837 -3.643 934 HD3 PRO 112 HD3 PRO 112 6.111 -7.705 -4.057 935 H THR 113 H THR 113 5.282 -13.062 -2.206 936 HA THR 113 HA THR 113 2.395 -13.346 -2.277 937 HB THR 113 HB THR 113 3.583 -15.495 -3.839 938 HG1 THR 113 HG1 THR 113 3.738 -14.032 -5.745 939 HG21 THR 113 HG21 THR 113 1.174 -15.090 -3.625 940 HG22 THR 113 HG22 THR 113 1.690 -15.014 -5.310 941 HG23 THR 113 HG23 THR 113 1.366 -13.527 -4.419 942 H ALA 114 H ALA 114 1.805 -14.622 -0.651 943 HA ALA 114 HA ALA 114 3.675 -15.946 0.998 944 HB1 ALA 114 HB1 ALA 114 1.734 -16.787 2.213 945 HB2 ALA 114 HB2 ALA 114 0.678 -16.278 0.895 946 HB3 ALA 114 HB3 ALA 114 1.552 -15.073 1.841 947 H ARG 115 H ARG 115 3.543 -18.280 1.585 948 HA ARG 115 HA ARG 115 3.687 -19.873 -0.835 949 HB2 ARG 115 HB2 ARG 115 4.540 -21.647 0.739 950 HB3 ARG 115 HB3 ARG 115 5.506 -20.180 0.673 951 HG2 ARG 115 HG2 ARG 115 4.352 -19.408 2.741 952 HG3 ARG 115 HG3 ARG 115 3.572 -20.988 2.831 953 HD2 ARG 115 HD2 ARG 115 5.592 -20.811 4.251 954 HD3 ARG 115 HD3 ARG 115 5.701 -22.084 3.038 955 HE ARG 115 HE ARG 115 6.954 -19.451 2.624 956 HH11 ARG 115 HH11 ARG 115 7.132 -22.931 2.745 957 HH12 ARG 115 HH12 ARG 115 8.744 -22.998 2.120 958 HH21 ARG 115 HH21 ARG 115 9.077 -19.532 1.797 959 HH22 ARG 115 HH22 ARG 115 9.851 -21.067 1.581 960 H ARG 116 H ARG 116 2.398 -21.583 -1.352 961 HA ARG 116 HA ARG 116 0.008 -21.966 0.328 962 HB2 ARG 116 HB2 ARG 116 0.391 -22.070 -2.654 963 HB3 ARG 116 HB3 ARG 116 -0.994 -22.828 -1.882 964 HG2 ARG 116 HG2 ARG 116 -1.579 -20.631 -0.892 965 HG3 ARG 116 HG3 ARG 116 -0.263 -19.910 -1.821 966 HD2 ARG 116 HD2 ARG 116 -2.011 -21.548 -3.462 967 HD3 ARG 116 HD3 ARG 116 -2.880 -20.243 -2.656 968 HE ARG 116 HE ARG 116 -1.009 -19.997 -4.801 969 HH11 ARG 116 HH11 ARG 116 -2.324 -18.378 -2.009 970 HH12 ARG 116 HH12 ARG 116 -1.982 -16.789 -2.608 971 HH21 ARG 116 HH21 ARG 116 -0.553 -17.909 -5.598 972 HH22 ARG 116 HH22 ARG 116 -0.975 -16.523 -4.649 973 H ARG 117 H ARG 117 -0.808 -24.069 0.614 974 HA ARG 117 HA ARG 117 1.223 -26.107 0.675 975 HB2 ARG 117 HB2 ARG 117 -1.696 -26.469 1.334 976 HB3 ARG 117 HB3 ARG 117 -0.331 -27.407 1.922 977 HG2 ARG 117 HG2 ARG 117 0.452 -25.499 3.207 978 HG3 ARG 117 HG3 ARG 117 -0.880 -24.522 2.586 979 HD2 ARG 117 HD2 ARG 117 -1.541 -27.094 3.916 980 HD3 ARG 117 HD3 ARG 117 -1.010 -25.754 4.932 981 HE ARG 117 HE ARG 117 -2.976 -24.786 3.213 982 HH11 ARG 117 HH11 ARG 117 -2.683 -27.068 5.832 983 HH12 ARG 117 HH12 ARG 117 -4.319 -26.864 6.363 984 HH21 ARG 117 HH21 ARG 117 -5.130 -24.511 3.906 985 HH22 ARG 117 HH22 ARG 117 -5.710 -25.410 5.268 Start of MODEL 2 1 H5' DT 1 H5' DT 1 -14.325 6.214 8.891 2 H5'' DT 1 H5'' DT 1 -16.075 6.082 8.631 3 H4' DT 1 H4' DT 1 -15.733 4.061 7.312 4 H3' DT 1 H3' DT 1 -13.357 3.591 8.438 5 H2' DT 1 H2' DT 1 -12.139 5.482 7.626 6 H2'' DT 1 H2'' DT 1 -11.800 4.328 6.344 7 H1' DT 1 H1' DT 1 -13.417 5.249 4.881 8 H3 DT 1 H3 DT 1 -12.903 9.547 3.670 9 H71 DT 1 H71 DT 1 -12.092 9.817 8.758 10 H72 DT 1 H72 DT 1 -10.526 9.085 8.336 11 H73 DT 1 H73 DT 1 -10.979 10.667 7.660 12 H6 DT 1 H6 DT 1 -12.267 7.175 7.759 13 HO5' DT 1 HO5' DT 1 -15.127 3.734 9.497 14 H5' DT 2 H5' DT 2 -14.289 -1.083 6.519 15 H5'' DT 2 H5'' DT 2 -13.032 -1.564 7.677 16 H4' DT 2 H4' DT 2 -12.760 -0.506 4.887 17 H3' DT 2 H3' DT 2 -11.840 -2.986 6.294 18 H2' DT 2 H2' DT 2 -9.869 -3.031 4.927 19 H2'' DT 2 H2'' DT 2 -10.514 -1.849 3.798 20 H1' DT 2 H1' DT 2 -9.289 -0.343 5.179 21 H3 DT 2 H3 DT 2 -8.634 -0.843 10.014 22 H71 DT 2 H71 DT 2 -6.460 -4.654 8.496 23 H72 DT 2 H72 DT 2 -6.938 -4.780 6.787 24 H73 DT 2 H73 DT 2 -8.040 -5.349 8.065 25 H6 DT 2 H6 DT 2 -8.496 -3.176 5.867 26 H5' DT 3 H5' DT 3 -15.462 -4.776 1.887 27 H5'' DT 3 H5'' DT 3 -13.858 -5.132 2.559 28 H4' DT 3 H4' DT 3 -14.557 -3.398 0.449 29 H3' DT 3 H3' DT 3 -12.193 -4.673 1.375 30 H2' DT 3 H2' DT 3 -11.253 -2.728 2.366 31 H2'' DT 3 H2'' DT 3 -10.849 -2.366 0.693 32 H1' DT 3 H1' DT 3 -12.946 -1.152 0.355 33 H3 DT 3 H3 DT 3 -13.814 2.464 3.146 34 H71 DT 3 H71 DT 3 -9.736 1.177 5.273 35 H72 DT 3 H72 DT 3 -9.167 2.236 3.961 36 H73 DT 3 H73 DT 3 -8.860 0.486 3.885 37 H6 DT 3 H6 DT 3 -10.363 -0.770 2.580 38 H5' DT 4 H5' DT 4 -14.763 -2.686 -3.562 39 H5'' DT 4 H5'' DT 4 -13.678 -3.302 -4.826 40 H4' DT 4 H4' DT 4 -13.575 -0.835 -3.500 41 H3' DT 4 H3' DT 4 -12.145 -2.143 -5.687 42 H2' DT 4 H2' DT 4 -9.993 -1.651 -4.957 43 H2'' DT 4 H2'' DT 4 -10.448 0.040 -4.800 44 H1' DT 4 H1' DT 4 -10.895 -0.082 -2.554 45 H3 DT 4 H3 DT 4 -6.367 -1.753 -2.454 46 H71 DT 4 H71 DT 4 -8.228 -5.090 0.204 47 H72 DT 4 H72 DT 4 -8.870 -3.818 1.269 48 H73 DT 4 H73 DT 4 -9.970 -4.727 0.205 49 H6 DT 4 H6 DT 4 -10.791 -2.910 -1.106 50 H5' DT 5 H5' DT 5 -13.317 -1.907 -8.961 51 H5'' DT 5 H5'' DT 5 -12.670 -3.151 -7.873 52 H4' DT 5 H4' DT 5 -11.542 -2.040 -10.408 53 H3' DT 5 H3' DT 5 -12.764 -4.392 -10.080 54 H2' DT 5 H2' DT 5 -11.414 -5.289 -8.318 55 H2'' DT 5 H2'' DT 5 -10.574 -5.937 -9.721 56 H1' DT 5 H1' DT 5 -8.880 -4.276 -9.663 57 H3 DT 5 H3 DT 5 -6.255 -4.851 -6.127 58 H71 DT 5 H71 DT 5 -10.753 -3.321 -3.976 59 H72 DT 5 H72 DT 5 -9.620 -4.371 -3.094 60 H73 DT 5 H73 DT 5 -10.978 -5.087 -3.993 61 H6 DT 5 H6 DT 5 -10.939 -4.101 -6.571 62 H5' DT 6 H5' DT 6 -9.666 -4.020 -13.353 63 H5'' DT 6 H5'' DT 6 -8.794 -5.248 -14.293 64 H4' DT 6 H4' DT 6 -8.158 -4.044 -11.740 65 H3' DT 6 H3' DT 6 -6.678 -5.474 -13.896 66 HO3' DT 6 HO3' DT 6 -6.848 -3.058 -12.722 67 H2' DT 6 H2' DT 6 -4.989 -6.227 -12.363 68 H2'' DT 6 H2'' DT 6 -5.501 -5.109 -11.104 69 H1' DT 6 H1' DT 6 -6.675 -7.034 -10.355 70 H3 DT 6 H3 DT 6 -5.201 -10.672 -12.855 71 H71 DT 6 H71 DT 6 -10.197 -9.162 -14.143 72 H72 DT 6 H72 DT 6 -9.564 -10.793 -14.476 73 H73 DT 6 H73 DT 6 -9.155 -9.441 -15.559 74 H6 DT 6 H6 DT 6 -8.845 -7.596 -12.972 75 H1 MET 1 H MET 1 11.255 -2.546 15.192 76 H1 MET 1 HT1 MET 1 10.872 -1.462 13.950 77 H2 MET 1 H2 MET 1 11.447 -3.008 13.576 78 HA MET 1 HA MET 1 9.486 -4.025 14.474 79 HB2 MET 1 HB2 MET 1 8.707 -1.167 15.070 80 HB3 MET 1 HB3 MET 1 7.577 -2.514 15.115 81 HG2 MET 1 HG2 MET 1 9.687 -3.352 16.696 82 HG3 MET 1 HG3 MET 1 9.505 -1.643 17.084 83 HE1 MET 1 HE1 MET 1 9.152 -3.395 19.457 84 HE2 MET 1 HE2 MET 1 8.773 -4.823 18.493 85 HE3 MET 1 HE3 MET 1 7.623 -4.241 19.697 86 H GLU 2 H GLU 2 10.652 -2.568 12.017 87 HA GLU 2 HA GLU 2 8.155 -2.550 10.456 88 HB2 GLU 2 HB2 GLU 2 9.610 -1.121 8.833 89 HB3 GLU 2 HB3 GLU 2 8.889 -0.362 10.245 90 HG2 GLU 2 HG2 GLU 2 11.476 -1.423 10.897 91 HG3 GLU 2 HG3 GLU 2 11.577 -0.363 9.493 92 H GLU 3 H GLU 3 7.980 -3.987 8.861 93 HA GLU 3 HA GLU 3 10.299 -5.662 8.267 94 HB2 GLU 3 HB2 GLU 3 8.803 -7.314 7.524 95 HB3 GLU 3 HB3 GLU 3 8.028 -6.609 8.935 96 HG2 GLU 3 HG2 GLU 3 6.873 -5.083 7.136 97 HG3 GLU 3 HG3 GLU 3 7.277 -6.424 6.064 98 H LYS 4 H LYS 4 10.334 -6.539 5.929 99 HA LYS 4 HA LYS 4 10.387 -4.152 4.149 100 HB2 LYS 4 HB2 LYS 4 11.693 -5.849 2.689 101 HB3 LYS 4 HB3 LYS 4 12.478 -5.115 4.080 102 HG2 LYS 4 HG2 LYS 4 11.084 -7.688 4.511 103 HG3 LYS 4 HG3 LYS 4 12.582 -7.718 3.580 104 HD2 LYS 4 HD2 LYS 4 12.645 -6.127 6.062 105 HD3 LYS 4 HD3 LYS 4 12.473 -7.870 6.275 106 HE2 LYS 4 HE2 LYS 4 14.434 -7.793 4.421 107 HE3 LYS 4 HE3 LYS 4 14.758 -6.293 5.287 108 HZ1 LYS 4 HZ1 LYS 4 14.533 -8.987 6.518 109 HZ2 LYS 4 HZ2 LYS 4 14.846 -7.548 7.351 110 HZ3 LYS 4 HZ3 LYS 4 15.975 -8.145 6.241 111 H VAL 5 H VAL 5 10.020 -4.766 1.767 112 HA VAL 5 HA VAL 5 7.310 -5.636 1.525 113 HB VAL 5 HB VAL 5 9.332 -5.019 -0.638 114 HG11 VAL 5 HG11 VAL 5 7.562 -6.305 -1.586 115 HG12 VAL 5 HG12 VAL 5 7.293 -4.615 -2.024 116 HG13 VAL 5 HG13 VAL 5 6.342 -5.355 -0.736 117 HG21 VAL 5 HG21 VAL 5 7.213 -3.271 0.611 118 HG22 VAL 5 HG22 VAL 5 8.255 -2.825 -0.741 119 HG23 VAL 5 HG23 VAL 5 8.954 -3.122 0.850 120 H GLY 6 H GLY 6 10.456 -7.045 0.794 121 HA2 GLY 6 HA2 GLY 6 9.367 -9.322 -0.576 122 HA3 GLY 6 HA3 GLY 6 11.035 -9.111 -0.068 123 H ASN 7 H ASN 7 9.105 -8.530 2.564 124 HA ASN 7 HA ASN 7 9.149 -11.350 3.403 125 HB2 ASN 7 HB2 ASN 7 10.961 -9.696 4.339 126 HB3 ASN 7 HB3 ASN 7 9.647 -9.164 5.381 127 HD21 ASN 7 HD21 ASN 7 10.127 -9.965 7.297 128 HD22 ASN 7 HD22 ASN 7 10.486 -11.590 7.635 129 H LEU 8 H LEU 8 7.211 -8.801 2.749 130 HA LEU 8 HA LEU 8 5.460 -8.892 5.034 131 HB2 LEU 8 HB2 LEU 8 4.350 -7.159 4.075 132 HB3 LEU 8 HB3 LEU 8 5.860 -7.010 3.199 133 HG LEU 8 HG LEU 8 4.499 -8.697 1.561 134 HD11 LEU 8 HD11 LEU 8 2.350 -8.790 2.188 135 HD12 LEU 8 HD12 LEU 8 2.251 -7.112 1.545 136 HD13 LEU 8 HD13 LEU 8 2.543 -7.391 3.280 137 HD21 LEU 8 HD21 LEU 8 5.656 -6.793 0.751 138 HD22 LEU 8 HD22 LEU 8 4.571 -5.694 1.604 139 HD23 LEU 8 HD23 LEU 8 3.974 -6.636 0.238 140 H LYS 9 H LYS 9 3.273 -9.710 5.014 141 HA LYS 9 HA LYS 9 2.588 -11.584 2.950 142 HB2 LYS 9 HB2 LYS 9 2.044 -13.170 4.446 143 HB3 LYS 9 HB3 LYS 9 3.611 -12.672 4.853 144 HG2 LYS 9 HG2 LYS 9 2.931 -12.225 6.953 145 HG3 LYS 9 HG3 LYS 9 1.660 -11.215 6.311 146 HD2 LYS 9 HD2 LYS 9 0.320 -12.756 7.313 147 HD3 LYS 9 HD3 LYS 9 0.596 -13.625 5.803 148 HE2 LYS 9 HE2 LYS 9 1.388 -15.300 7.038 149 HE3 LYS 9 HE3 LYS 9 2.786 -14.279 7.369 150 HZ1 LYS 9 HZ1 LYS 9 1.652 -13.433 9.332 151 HZ2 LYS 9 HZ2 LYS 9 1.809 -15.115 9.408 152 HZ3 LYS 9 HZ3 LYS 9 0.317 -14.424 9.015 153 HA PRO 10 HA PRO 10 -1.357 -9.621 3.246 154 HB2 PRO 10 HB2 PRO 10 -2.991 -11.489 2.217 155 HB3 PRO 10 HB3 PRO 10 -1.821 -10.622 1.252 156 HG2 PRO 10 HG2 PRO 10 -1.660 -13.374 2.388 157 HG3 PRO 10 HG3 PRO 10 -1.137 -12.808 0.790 158 HD2 PRO 10 HD2 PRO 10 0.640 -13.141 2.887 159 HD3 PRO 10 HD3 PRO 10 0.857 -12.042 1.560 160 H ASN 11 H ASN 11 -3.529 -9.825 4.139 161 HA ASN 11 HA ASN 11 -5.076 -10.369 5.746 162 HB2 ASN 11 HB2 ASN 11 -3.642 -12.908 5.371 163 HB3 ASN 11 HB3 ASN 11 -4.416 -12.739 6.944 164 HD21 ASN 11 HD21 ASN 11 -4.948 -12.681 3.474 165 HD22 ASN 11 HD22 ASN 11 -6.650 -13.072 3.544 166 H MET 12 H MET 12 -2.475 -8.978 6.375 167 HA MET 12 HA MET 12 -2.334 -9.542 9.212 168 HB2 MET 12 HB2 MET 12 -0.480 -8.042 7.359 169 HB3 MET 12 HB3 MET 12 -0.288 -8.170 9.056 170 HG2 MET 12 HG2 MET 12 -0.523 -10.777 8.394 171 HG3 MET 12 HG3 MET 12 0.259 -10.079 6.987 172 HE1 MET 12 HE1 MET 12 2.606 -9.196 6.843 173 HE2 MET 12 HE2 MET 12 3.671 -8.896 8.238 174 HE3 MET 12 HE3 MET 12 2.245 -7.889 7.984 175 H GLU 13 H GLU 13 -3.243 -8.186 10.610 176 HA GLU 13 HA GLU 13 -4.460 -5.748 9.643 177 HB2 GLU 13 HB2 GLU 13 -4.482 -6.364 12.542 178 HB3 GLU 13 HB3 GLU 13 -5.786 -5.822 11.496 179 HG2 GLU 13 HG2 GLU 13 -5.496 -8.261 10.500 180 HG3 GLU 13 HG3 GLU 13 -4.862 -8.567 12.117 181 H SER 14 H SER 14 -1.438 -6.232 10.114 182 HA SER 14 HA SER 14 -0.900 -3.551 11.012 183 HB2 SER 14 HB2 SER 14 0.836 -4.511 12.712 184 HB3 SER 14 HB3 SER 14 -0.855 -4.381 13.194 185 HG SER 14 HG SER 14 0.440 -6.713 12.227 186 H VAL 15 H VAL 15 0.501 -2.855 9.541 187 HA VAL 15 HA VAL 15 2.789 -4.545 8.849 188 HB VAL 15 HB VAL 15 1.668 -3.039 6.571 189 HG11 VAL 15 HG11 VAL 15 2.408 -5.027 5.347 190 HG12 VAL 15 HG12 VAL 15 2.806 -5.816 6.874 191 HG13 VAL 15 HG13 VAL 15 3.690 -4.375 6.368 192 HG21 VAL 15 HG21 VAL 15 -0.191 -4.276 6.146 193 HG22 VAL 15 HG22 VAL 15 -0.232 -4.340 7.909 194 HG23 VAL 15 HG23 VAL 15 0.424 -5.696 6.990 195 H ASN 16 H ASN 16 4.474 -3.389 9.451 196 HA ASN 16 HA ASN 16 4.518 -0.489 8.975 197 HB2 ASN 16 HB2 ASN 16 5.171 -2.002 11.217 198 HB3 ASN 16 HB3 ASN 16 6.674 -1.387 10.559 199 HD21 ASN 16 HD21 ASN 16 6.258 1.011 9.729 200 HD22 ASN 16 HD22 ASN 16 5.596 2.033 10.976 201 H VAL 17 H VAL 17 5.861 0.310 7.443 202 HA VAL 17 HA VAL 17 8.300 -1.081 6.764 203 HB VAL 17 HB VAL 17 6.954 -2.471 5.503 204 HG11 VAL 17 HG11 VAL 17 4.971 -0.800 5.746 205 HG12 VAL 17 HG12 VAL 17 4.997 -1.953 4.391 206 HG13 VAL 17 HG13 VAL 17 5.477 -0.278 4.123 207 HG21 VAL 17 HG21 VAL 17 8.804 -1.737 4.146 208 HG22 VAL 17 HG22 VAL 17 7.937 -0.274 3.683 209 HG23 VAL 17 HG23 VAL 17 7.389 -1.845 3.099 210 H THR 18 H THR 18 9.655 0.076 5.350 211 HA THR 18 HA THR 18 8.892 2.879 4.880 212 HB THR 18 HB THR 18 11.778 2.280 4.926 213 HG1 THR 18 HG1 THR 18 11.735 2.304 7.297 214 HG21 THR 18 HG21 THR 18 9.949 4.474 5.505 215 HG22 THR 18 HG22 THR 18 11.645 4.519 4.988 216 HG23 THR 18 HG23 THR 18 11.234 4.322 6.703 217 H VAL 19 H VAL 19 9.044 3.570 2.751 218 HA VAL 19 HA VAL 19 10.605 2.147 0.865 219 HB VAL 19 HB VAL 19 8.750 1.726 -0.711 220 HG11 VAL 19 HG11 VAL 19 9.476 -0.119 0.526 221 HG12 VAL 19 HG12 VAL 19 7.674 -0.032 0.387 222 HG13 VAL 19 HG13 VAL 19 8.528 0.446 1.962 223 HG21 VAL 19 HG21 VAL 19 7.119 3.316 0.007 224 HG22 VAL 19 HG22 VAL 19 7.055 2.602 1.618 225 HG23 VAL 19 HG23 VAL 19 6.426 1.709 0.240 226 H ARG 20 H ARG 20 9.961 3.110 -1.428 227 HA ARG 20 HA ARG 20 9.728 5.974 -1.114 228 HB2 ARG 20 HB2 ARG 20 11.958 4.991 -1.845 229 HB3 ARG 20 HB3 ARG 20 11.204 4.609 -3.358 230 HG2 ARG 20 HG2 ARG 20 11.893 6.678 -3.997 231 HG3 ARG 20 HG3 ARG 20 10.611 7.304 -2.957 232 HD2 ARG 20 HD2 ARG 20 12.143 7.441 -1.093 233 HD3 ARG 20 HD3 ARG 20 13.422 6.701 -2.051 234 HE ARG 20 HE ARG 20 12.289 9.378 -2.537 235 HH11 ARG 20 HH11 ARG 20 14.901 7.076 -2.756 236 HH12 ARG 20 HH12 ARG 20 16.021 8.218 -3.415 237 HH21 ARG 20 HH21 ARG 20 13.761 10.886 -3.407 238 HH22 ARG 20 HH22 ARG 20 15.375 10.383 -3.786 239 H VAL 21 H VAL 21 8.621 7.169 -2.785 240 HA VAL 21 HA VAL 21 6.316 5.710 -3.783 241 HB VAL 21 HB VAL 21 7.188 8.581 -4.506 242 HG11 VAL 21 HG11 VAL 21 4.799 8.907 -4.877 243 HG12 VAL 21 HG12 VAL 21 4.534 7.191 -4.562 244 HG13 VAL 21 HG13 VAL 21 5.484 7.695 -5.961 245 HG21 VAL 21 HG21 VAL 21 5.800 9.320 -2.670 246 HG22 VAL 21 HG22 VAL 21 7.130 8.317 -2.090 247 HG23 VAL 21 HG23 VAL 21 5.505 7.643 -2.212 248 H LEU 22 H LEU 22 6.107 4.777 -5.691 249 HA LEU 22 HA LEU 22 8.129 5.179 -7.764 250 HB2 LEU 22 HB2 LEU 22 6.153 2.917 -7.555 251 HB3 LEU 22 HB3 LEU 22 7.572 3.009 -8.556 252 HG LEU 22 HG LEU 22 7.504 2.693 -5.572 253 HD11 LEU 22 HD11 LEU 22 8.676 0.882 -7.667 254 HD12 LEU 22 HD12 LEU 22 7.058 0.689 -6.998 255 HD13 LEU 22 HD13 LEU 22 8.467 0.551 -5.947 256 HD21 LEU 22 HD21 LEU 22 9.980 2.809 -7.275 257 HD22 LEU 22 HD22 LEU 22 9.845 2.803 -5.515 258 HD23 LEU 22 HD23 LEU 22 9.333 4.217 -6.426 259 H GLU 23 H GLU 23 4.823 5.493 -6.963 260 HA GLU 23 HA GLU 23 4.297 7.037 -9.372 261 HB2 GLU 23 HB2 GLU 23 3.978 4.480 -9.890 262 HB3 GLU 23 HB3 GLU 23 2.464 4.694 -9.022 263 HG2 GLU 23 HG2 GLU 23 1.593 5.312 -10.968 264 HG3 GLU 23 HG3 GLU 23 2.491 6.815 -10.778 265 H ALA 24 H ALA 24 1.972 7.829 -9.380 266 HA ALA 24 HA ALA 24 0.495 7.645 -6.933 267 HB1 ALA 24 HB1 ALA 24 1.885 10.254 -7.557 268 HB2 ALA 24 HB2 ALA 24 2.271 9.168 -6.221 269 HB3 ALA 24 HB3 ALA 24 0.711 9.990 -6.268 270 H SER 25 H SER 25 -1.590 7.909 -7.393 271 HA SER 25 HA SER 25 -2.291 9.390 -9.849 272 HB2 SER 25 HB2 SER 25 -2.803 6.761 -9.356 273 HB3 SER 25 HB3 SER 25 -4.283 7.505 -8.751 274 HG SER 25 HG SER 25 -3.900 6.924 -11.174 275 H GLU 26 H GLU 26 -4.224 10.665 -9.820 276 HA GLU 26 HA GLU 26 -4.571 12.155 -7.460 277 HB2 GLU 26 HB2 GLU 26 -6.470 12.083 -9.803 278 HB3 GLU 26 HB3 GLU 26 -6.205 13.389 -8.672 279 HG2 GLU 26 HG2 GLU 26 -4.088 12.394 -10.540 280 HG3 GLU 26 HG3 GLU 26 -5.197 13.706 -10.936 281 H ALA 27 H ALA 27 -6.473 12.425 -6.217 282 HA ALA 27 HA ALA 27 -7.540 9.894 -5.439 283 HB1 ALA 27 HB1 ALA 27 -8.396 11.104 -3.531 284 HB2 ALA 27 HB2 ALA 27 -8.024 12.639 -4.320 285 HB3 ALA 27 HB3 ALA 27 -6.699 11.538 -3.861 286 H ARG 28 H ARG 28 -9.371 8.991 -5.903 287 HA ARG 28 HA ARG 28 -11.525 10.537 -7.187 288 HB2 ARG 28 HB2 ARG 28 -10.550 9.447 -9.019 289 HB3 ARG 28 HB3 ARG 28 -10.155 8.015 -8.084 290 HG2 ARG 28 HG2 ARG 28 -12.879 7.988 -8.004 291 HG3 ARG 28 HG3 ARG 28 -12.569 8.675 -9.599 292 HD2 ARG 28 HD2 ARG 28 -11.363 6.780 -10.296 293 HD3 ARG 28 HD3 ARG 28 -11.176 6.190 -8.645 294 HE ARG 28 HE ARG 28 -13.868 6.327 -9.792 295 HH11 ARG 28 HH11 ARG 28 -11.162 4.401 -8.717 296 HH12 ARG 28 HH12 ARG 28 -12.077 2.934 -8.637 297 HH21 ARG 28 HH21 ARG 28 -15.075 4.390 -9.681 298 HH22 ARG 28 HH22 ARG 28 -14.296 2.927 -9.179 299 H GLN 29 H GLN 29 -13.645 9.486 -7.064 300 HA GLN 29 HA GLN 29 -14.080 8.257 -4.477 301 HB2 GLN 29 HB2 GLN 29 -15.918 9.400 -6.574 302 HB3 GLN 29 HB3 GLN 29 -16.515 8.578 -5.141 303 HG2 GLN 29 HG2 GLN 29 -15.358 10.213 -3.746 304 HG3 GLN 29 HG3 GLN 29 -14.830 11.065 -5.197 305 HE21 GLN 29 HE21 GLN 29 -17.540 10.265 -3.162 306 HE22 GLN 29 HE22 GLN 29 -18.629 11.444 -3.801 307 H ILE 30 H ILE 30 -14.918 6.239 -4.121 308 HA ILE 30 HA ILE 30 -15.460 4.568 -6.484 309 HB ILE 30 HB ILE 30 -14.472 2.667 -5.450 310 HG12 ILE 30 HG12 ILE 30 -13.803 4.255 -2.988 311 HG13 ILE 30 HG13 ILE 30 -15.343 3.410 -3.146 312 HG21 ILE 30 HG21 ILE 30 -12.746 5.114 -5.190 313 HG22 ILE 30 HG22 ILE 30 -12.757 3.903 -6.476 314 HG23 ILE 30 HG23 ILE 30 -12.116 3.489 -4.879 315 HD11 ILE 30 HD11 ILE 30 -14.240 1.298 -3.291 316 HD12 ILE 30 HD12 ILE 30 -13.551 2.161 -1.915 317 HD13 ILE 30 HD13 ILE 30 -12.660 2.068 -3.434 318 H GLN 31 H GLN 31 -16.943 2.743 -5.990 319 HA GLN 31 HA GLN 31 -18.919 3.509 -3.952 320 HB2 GLN 31 HB2 GLN 31 -19.258 2.219 -6.654 321 HB3 GLN 31 HB3 GLN 31 -20.524 2.171 -5.435 322 HG2 GLN 31 HG2 GLN 31 -20.640 4.592 -5.422 323 HG3 GLN 31 HG3 GLN 31 -19.315 4.678 -6.582 324 HE21 GLN 31 HE21 GLN 31 -19.688 4.129 -8.727 325 HE22 GLN 31 HE22 GLN 31 -21.281 3.985 -9.381 326 H THR 32 H THR 32 -18.888 2.220 -2.241 327 HA THR 32 HA THR 32 -18.215 -0.625 -2.611 328 HB THR 32 HB THR 32 -17.527 -0.705 -0.295 329 HG1 THR 32 HG1 THR 32 -17.731 1.015 1.044 330 HG21 THR 32 HG21 THR 32 -16.345 1.445 -2.013 331 HG22 THR 32 HG22 THR 32 -15.734 -0.174 -1.687 332 HG23 THR 32 HG23 THR 32 -15.656 1.071 -0.432 333 H LYS 33 H LYS 33 -19.087 -1.769 -0.394 334 HA LYS 33 HA LYS 33 -21.941 -1.779 -0.765 335 HB2 LYS 33 HB2 LYS 33 -21.914 -3.707 0.747 336 HB3 LYS 33 HB3 LYS 33 -20.714 -3.884 -0.525 337 HG2 LYS 33 HG2 LYS 33 -18.936 -3.378 0.955 338 HG3 LYS 33 HG3 LYS 33 -20.052 -2.847 2.215 339 HD2 LYS 33 HD2 LYS 33 -20.953 -5.192 2.263 340 HD3 LYS 33 HD3 LYS 33 -19.622 -5.650 1.198 341 HE2 LYS 33 HE2 LYS 33 -18.012 -4.896 2.863 342 HE3 LYS 33 HE3 LYS 33 -19.327 -4.383 3.920 343 HZ1 LYS 33 HZ1 LYS 33 -18.718 -7.166 3.082 344 HZ2 LYS 33 HZ2 LYS 33 -20.069 -6.714 3.994 345 HZ3 LYS 33 HZ3 LYS 33 -18.515 -6.508 4.628 346 H ASN 34 H ASN 34 -19.831 -0.049 1.138 347 HA ASN 34 HA ASN 34 -21.817 0.305 3.290 348 HB2 ASN 34 HB2 ASN 34 -18.844 0.866 3.271 349 HB3 ASN 34 HB3 ASN 34 -19.924 1.291 4.595 350 HD21 ASN 34 HD21 ASN 34 -20.815 -0.341 5.866 351 HD22 ASN 34 HD22 ASN 34 -20.160 -1.939 5.889 352 H GLY 35 H GLY 35 -21.142 1.622 0.464 353 HA2 GLY 35 HA2 GLY 35 -22.390 3.729 0.048 354 HA3 GLY 35 HA3 GLY 35 -21.541 4.386 1.439 355 H VAL 36 H VAL 36 -20.685 6.097 0.180 356 HA VAL 36 HA VAL 36 -18.679 5.218 -1.777 357 HB VAL 36 HB VAL 36 -20.368 6.564 -2.832 358 HG11 VAL 36 HG11 VAL 36 -20.786 8.884 -2.239 359 HG12 VAL 36 HG12 VAL 36 -19.631 8.774 -0.910 360 HG13 VAL 36 HG13 VAL 36 -21.122 7.833 -0.862 361 HG21 VAL 36 HG21 VAL 36 -17.813 8.127 -2.537 362 HG22 VAL 36 HG22 VAL 36 -18.972 8.258 -3.859 363 HG23 VAL 36 HG23 VAL 36 -18.072 6.759 -3.621 364 H ARG 37 H ARG 37 -16.650 5.813 -1.660 365 HA ARG 37 HA ARG 37 -15.700 7.595 0.465 366 HB2 ARG 37 HB2 ARG 37 -13.890 6.024 0.778 367 HB3 ARG 37 HB3 ARG 37 -15.396 5.669 1.549 368 HG2 ARG 37 HG2 ARG 37 -14.875 4.438 -1.108 369 HG3 ARG 37 HG3 ARG 37 -14.079 3.763 0.313 370 HD2 ARG 37 HD2 ARG 37 -16.994 4.344 0.374 371 HD3 ARG 37 HD3 ARG 37 -16.402 2.878 -0.396 372 HE ARG 37 HE ARG 37 -15.307 2.412 1.824 373 HH11 ARG 37 HH11 ARG 37 -18.231 4.295 1.554 374 HH12 ARG 37 HH12 ARG 37 -18.753 3.956 3.169 375 HH21 ARG 37 HH21 ARG 37 -15.982 1.981 3.969 376 HH22 ARG 37 HH22 ARG 37 -17.479 2.642 4.539 377 H THR 38 H THR 38 -13.310 8.015 0.180 378 HA THR 38 HA THR 38 -12.861 8.489 -2.699 379 HB THR 38 HB THR 38 -11.495 10.508 -1.741 380 HG1 THR 38 HG1 THR 38 -12.020 11.137 0.223 381 HG21 THR 38 HG21 THR 38 -14.506 10.591 -1.901 382 HG22 THR 38 HG22 THR 38 -13.398 10.710 -3.268 383 HG23 THR 38 HG23 THR 38 -13.419 11.975 -2.040 384 H ILE 39 H ILE 39 -11.297 7.178 -3.270 385 HA ILE 39 HA ILE 39 -8.930 7.081 -1.536 386 HB ILE 39 HB ILE 39 -8.663 4.712 -2.182 387 HG12 ILE 39 HG12 ILE 39 -11.514 4.522 -2.875 388 HG13 ILE 39 HG13 ILE 39 -10.501 5.271 -4.109 389 HG21 ILE 39 HG21 ILE 39 -9.617 4.309 -0.228 390 HG22 ILE 39 HG22 ILE 39 -11.218 4.460 -0.952 391 HG23 ILE 39 HG23 ILE 39 -10.403 5.880 -0.318 392 HD11 ILE 39 HD11 ILE 39 -8.990 3.158 -3.561 393 HD12 ILE 39 HD12 ILE 39 -10.317 3.091 -4.716 394 HD13 ILE 39 HD13 ILE 39 -10.550 2.502 -3.071 395 H SER 40 H SER 40 -7.128 5.932 -2.770 396 HA SER 40 HA SER 40 -7.103 6.385 -5.619 397 HB2 SER 40 HB2 SER 40 -6.517 8.605 -4.539 398 HB3 SER 40 HB3 SER 40 -5.050 7.814 -3.935 399 HG SER 40 HG SER 40 -5.546 8.813 -6.370 400 H GLU 41 H GLU 41 -4.930 5.765 -6.524 401 HA GLU 41 HA GLU 41 -3.737 3.698 -4.849 402 HB2 GLU 41 HB2 GLU 41 -5.351 3.108 -6.839 403 HB3 GLU 41 HB3 GLU 41 -3.931 3.429 -7.812 404 HG2 GLU 41 HG2 GLU 41 -3.387 1.670 -5.562 405 HG3 GLU 41 HG3 GLU 41 -4.620 1.032 -6.645 406 H ALA 42 H ALA 42 -1.568 3.597 -4.809 407 HA ALA 42 HA ALA 42 0.017 5.171 -6.719 408 HB1 ALA 42 HB1 ALA 42 -0.493 6.652 -4.825 409 HB2 ALA 42 HB2 ALA 42 1.228 6.286 -4.948 410 HB3 ALA 42 HB3 ALA 42 0.240 5.482 -3.728 411 H ILE 43 H ILE 43 1.780 4.070 -7.321 412 HA ILE 43 HA ILE 43 2.401 1.563 -6.049 413 HB ILE 43 HB ILE 43 3.822 2.906 -8.355 414 HG12 ILE 43 HG12 ILE 43 1.522 2.623 -8.987 415 HG13 ILE 43 HG13 ILE 43 2.445 1.343 -9.764 416 HG21 ILE 43 HG21 ILE 43 4.706 0.756 -8.890 417 HG22 ILE 43 HG22 ILE 43 3.742 -0.016 -7.631 418 HG23 ILE 43 HG23 ILE 43 5.056 1.076 -7.191 419 HD11 ILE 43 HD11 ILE 43 1.728 -0.173 -7.904 420 HD12 ILE 43 HD12 ILE 43 0.431 0.393 -8.958 421 HD13 ILE 43 HD13 ILE 43 0.653 1.118 -7.365 422 H VAL 44 H VAL 44 3.933 1.180 -4.632 423 HA VAL 44 HA VAL 44 6.244 2.948 -4.247 424 HB VAL 44 HB VAL 44 6.038 2.070 -1.658 425 HG11 VAL 44 HG11 VAL 44 4.849 4.351 -3.157 426 HG12 VAL 44 HG12 VAL 44 5.240 4.303 -1.433 427 HG13 VAL 44 HG13 VAL 44 3.638 3.754 -2.008 428 HG21 VAL 44 HG21 VAL 44 4.179 0.609 -2.486 429 HG22 VAL 44 HG22 VAL 44 3.257 2.095 -2.763 430 HG23 VAL 44 HG23 VAL 44 3.775 1.672 -1.130 431 H GLY 45 H GLY 45 7.893 1.843 -3.019 432 HA2 GLY 45 HA2 GLY 45 7.954 -0.823 -2.367 433 HA3 GLY 45 HA3 GLY 45 8.509 -0.773 -4.032 434 H ASP 46 H ASP 46 10.196 -1.789 -2.238 435 HA ASP 46 HA ASP 46 12.221 0.327 -1.933 436 HB2 ASP 46 HB2 ASP 46 13.032 -0.864 0.100 437 HB3 ASP 46 HB3 ASP 46 11.411 -0.210 0.285 438 H GLU 47 H GLU 47 14.301 -1.291 -1.100 439 HA GLU 47 HA GLU 47 15.109 -2.460 -3.569 440 HB2 GLU 47 HB2 GLU 47 17.182 -3.090 -2.238 441 HB3 GLU 47 HB3 GLU 47 16.819 -1.376 -2.361 442 HG2 GLU 47 HG2 GLU 47 16.617 -1.161 -0.157 443 HG3 GLU 47 HG3 GLU 47 15.595 -2.592 -0.031 444 H THR 48 H THR 48 13.117 -3.666 -1.257 445 HA THR 48 HA THR 48 14.132 -6.413 -1.514 446 HB THR 48 HB THR 48 12.979 -6.973 0.424 447 HG1 THR 48 HG1 THR 48 11.110 -5.390 -0.504 448 HG21 THR 48 HG21 THR 48 14.824 -5.213 0.694 449 HG22 THR 48 HG22 THR 48 13.744 -5.486 2.060 450 HG23 THR 48 HG23 THR 48 13.507 -4.083 1.018 451 H GLY 49 H GLY 49 12.085 -4.466 -3.182 452 HA2 GLY 49 HA2 GLY 49 10.979 -6.084 -4.908 453 HA3 GLY 49 HA3 GLY 49 9.984 -6.470 -3.514 454 H ARG 50 H ARG 50 8.099 -5.725 -4.410 455 HA ARG 50 HA ARG 50 7.668 -2.903 -4.271 456 HB2 ARG 50 HB2 ARG 50 8.460 -3.078 -6.558 457 HB3 ARG 50 HB3 ARG 50 7.345 -4.404 -6.871 458 HG2 ARG 50 HG2 ARG 50 5.573 -2.609 -6.111 459 HG3 ARG 50 HG3 ARG 50 6.833 -1.505 -6.658 460 HD2 ARG 50 HD2 ARG 50 5.974 -3.818 -8.356 461 HD3 ARG 50 HD3 ARG 50 5.029 -2.333 -8.329 462 HE ARG 50 HE ARG 50 7.868 -2.074 -8.883 463 HH11 ARG 50 HH11 ARG 50 4.616 -2.195 -10.121 464 HH12 ARG 50 HH12 ARG 50 5.030 -1.488 -11.646 465 HH21 ARG 50 HH21 ARG 50 8.428 -1.136 -10.885 466 HH22 ARG 50 HH22 ARG 50 7.200 -0.886 -12.081 467 H VAL 51 H VAL 51 5.570 -2.437 -3.928 468 HA VAL 51 HA VAL 51 3.514 -4.453 -4.172 469 HB VAL 51 HB VAL 51 4.337 -4.945 -1.969 470 HG11 VAL 51 HG11 VAL 51 4.009 -2.009 -1.351 471 HG12 VAL 51 HG12 VAL 51 5.539 -2.871 -1.522 472 HG13 VAL 51 HG13 VAL 51 4.450 -3.261 -0.191 473 HG21 VAL 51 HG21 VAL 51 1.841 -3.287 -1.843 474 HG22 VAL 51 HG22 VAL 51 2.357 -4.434 -0.606 475 HG23 VAL 51 HG23 VAL 51 1.945 -5.003 -2.224 476 H LYS 52 H LYS 52 1.584 -3.585 -4.712 477 HA LYS 52 HA LYS 52 1.323 -0.834 -5.277 478 HB2 LYS 52 HB2 LYS 52 -1.057 -2.632 -4.961 479 HB3 LYS 52 HB3 LYS 52 -0.793 -1.354 -6.138 480 HG2 LYS 52 HG2 LYS 52 1.189 -3.412 -6.462 481 HG3 LYS 52 HG3 LYS 52 -0.425 -4.117 -6.477 482 HD2 LYS 52 HD2 LYS 52 -1.100 -2.745 -8.292 483 HD3 LYS 52 HD3 LYS 52 0.339 -1.734 -8.152 484 HE2 LYS 52 HE2 LYS 52 0.543 -3.251 -10.043 485 HE3 LYS 52 HE3 LYS 52 1.736 -3.650 -8.807 486 HZ1 LYS 52 HZ1 LYS 52 0.311 -5.449 -8.059 487 HZ2 LYS 52 HZ2 LYS 52 0.664 -5.631 -9.703 488 HZ3 LYS 52 HZ3 LYS 52 -0.853 -5.054 -9.222 489 H LEU 53 H LEU 53 0.586 0.849 -4.080 490 HA LEU 53 HA LEU 53 -0.430 0.285 -1.382 491 HB2 LEU 53 HB2 LEU 53 1.656 1.723 -1.805 492 HB3 LEU 53 HB3 LEU 53 0.550 2.953 -2.373 493 HG LEU 53 HG LEU 53 1.391 3.138 0.028 494 HD11 LEU 53 HD11 LEU 53 -0.488 4.448 -0.804 495 HD12 LEU 53 HD12 LEU 53 -0.739 3.957 0.872 496 HD13 LEU 53 HD13 LEU 53 -1.588 3.120 -0.428 497 HD21 LEU 53 HD21 LEU 53 0.266 1.840 1.712 498 HD22 LEU 53 HD22 LEU 53 1.098 0.761 0.592 499 HD23 LEU 53 HD23 LEU 53 -0.650 0.973 0.481 500 H THR 54 H THR 54 -2.334 1.038 -0.701 501 HA THR 54 HA THR 54 -4.015 2.558 -2.533 502 HB THR 54 HB THR 54 -5.260 0.502 -0.747 503 HG1 THR 54 HG1 THR 54 -3.830 0.073 -3.125 504 HG21 THR 54 HG21 THR 54 -6.179 1.301 -3.462 505 HG22 THR 54 HG22 THR 54 -6.326 2.464 -2.148 506 HG23 THR 54 HG23 THR 54 -7.125 0.898 -2.030 507 H LEU 55 H LEU 55 -4.214 4.408 -1.589 508 HA LEU 55 HA LEU 55 -4.259 4.810 1.239 509 HB2 LEU 55 HB2 LEU 55 -5.043 6.839 -0.773 510 HB3 LEU 55 HB3 LEU 55 -4.133 7.051 0.691 511 HG LEU 55 HG LEU 55 -2.662 5.341 -1.056 512 HD11 LEU 55 HD11 LEU 55 -2.277 7.497 -2.611 513 HD12 LEU 55 HD12 LEU 55 -4.002 7.602 -2.295 514 HD13 LEU 55 HD13 LEU 55 -3.338 6.149 -3.026 515 HD21 LEU 55 HD21 LEU 55 -1.761 6.722 0.786 516 HD22 LEU 55 HD22 LEU 55 -2.087 8.159 -0.187 517 HD23 LEU 55 HD23 LEU 55 -0.925 6.956 -0.749 518 H TRP 56 H TRP 56 -6.049 5.863 2.366 519 HA TRP 56 HA TRP 56 -8.650 5.410 1.086 520 HB2 TRP 56 HB2 TRP 56 -7.628 4.362 3.676 521 HB3 TRP 56 HB3 TRP 56 -9.354 4.603 3.465 522 HD1 TRP 56 HD1 TRP 56 -6.491 2.314 2.479 523 HE1 TRP 56 HE1 TRP 56 -7.366 0.363 1.076 524 HE3 TRP 56 HE3 TRP 56 -11.312 3.944 1.736 525 HZ2 TRP 56 HZ2 TRP 56 -9.829 -0.405 -0.145 526 HZ3 TRP 56 HZ3 TRP 56 -12.829 2.536 0.428 527 HH2 TRP 56 HH2 TRP 56 -12.109 0.416 -0.493 528 H GLY 57 H GLY 57 -9.929 7.023 1.112 529 HA2 GLY 57 HA2 GLY 57 -11.087 8.888 1.645 530 HA3 GLY 57 HA3 GLY 57 -10.604 8.654 3.297 531 H LYS 58 H LYS 58 -8.898 9.929 4.128 532 HA LYS 58 HA LYS 58 -8.323 12.279 2.561 533 HB2 LYS 58 HB2 LYS 58 -6.906 12.801 4.733 534 HB3 LYS 58 HB3 LYS 58 -8.652 12.974 4.706 535 HG2 LYS 58 HG2 LYS 58 -8.178 11.874 6.711 536 HG3 LYS 58 HG3 LYS 58 -8.739 10.601 5.625 537 HD2 LYS 58 HD2 LYS 58 -6.088 10.556 5.111 538 HD3 LYS 58 HD3 LYS 58 -6.076 11.053 6.804 539 HE2 LYS 58 HE2 LYS 58 -7.703 8.723 5.852 540 HE3 LYS 58 HE3 LYS 58 -5.997 8.555 6.268 541 HZ1 LYS 58 HZ1 LYS 58 -7.384 8.021 8.160 542 HZ2 LYS 58 HZ2 LYS 58 -8.163 9.520 8.069 543 HZ3 LYS 58 HZ3 LYS 58 -6.525 9.442 8.481 544 H HIS 59 H HIS 59 -6.621 9.345 3.302 545 HA HIS 59 HA HIS 59 -4.002 10.313 2.743 546 HB2 HIS 59 HB2 HIS 59 -5.260 7.595 2.984 547 HB3 HIS 59 HB3 HIS 59 -3.636 7.764 2.332 548 HD2 HIS 59 HD2 HIS 59 -4.986 6.848 5.594 549 HE1 HIS 59 HE1 HIS 59 -1.647 9.304 6.524 550 HE2 HIS 59 HE2 HIS 59 -3.314 7.625 7.383 551 H ALA 60 H ALA 60 -6.712 9.360 0.871 552 HA ALA 60 HA ALA 60 -5.562 8.478 -1.489 553 HB1 ALA 60 HB1 ALA 60 -7.640 8.663 -2.420 554 HB2 ALA 60 HB2 ALA 60 -7.972 10.207 -1.624 555 HB3 ALA 60 HB3 ALA 60 -8.058 8.706 -0.699 556 H GLY 61 H GLY 61 -4.313 9.410 -2.965 557 HA2 GLY 61 HA2 GLY 61 -3.205 11.006 -4.161 558 HA3 GLY 61 HA3 GLY 61 -4.660 11.929 -4.035 559 H SER 62 H SER 62 -3.536 11.275 -0.958 560 HA SER 62 HA SER 62 -2.723 14.032 -0.626 561 HB2 SER 62 HB2 SER 62 -4.116 13.233 1.112 562 HB3 SER 62 HB3 SER 62 -3.169 11.742 1.289 563 HG SER 62 HG SER 62 -1.741 12.780 2.472 564 H ILE 63 H ILE 63 -1.186 11.019 -1.130 565 HA ILE 63 HA ILE 63 1.270 11.642 0.200 566 HB ILE 63 HB ILE 63 2.184 9.711 -1.216 567 HG12 ILE 63 HG12 ILE 63 -0.332 8.494 -1.727 568 HG13 ILE 63 HG13 ILE 63 -0.377 10.093 -2.460 569 HG21 ILE 63 HG21 ILE 63 1.124 8.062 0.214 570 HG22 ILE 63 HG22 ILE 63 -0.212 9.160 0.562 571 HG23 ILE 63 HG23 ILE 63 1.413 9.537 1.138 572 HD11 ILE 63 HD11 ILE 63 0.416 8.504 -4.067 573 HD12 ILE 63 HD12 ILE 63 1.666 7.943 -2.956 574 HD13 ILE 63 HD13 ILE 63 1.741 9.577 -3.617 575 H LYS 64 H LYS 64 3.369 11.473 -1.127 576 HA LYS 64 HA LYS 64 3.204 13.496 -3.239 577 HB2 LYS 64 HB2 LYS 64 5.110 12.899 -1.078 578 HB3 LYS 64 HB3 LYS 64 5.852 13.291 -2.623 579 HG2 LYS 64 HG2 LYS 64 4.430 15.359 -2.667 580 HG3 LYS 64 HG3 LYS 64 3.977 14.989 -1.003 581 HD2 LYS 64 HD2 LYS 64 6.612 14.818 -0.725 582 HD3 LYS 64 HD3 LYS 64 6.576 15.911 -2.109 583 HE2 LYS 64 HE2 LYS 64 5.318 17.526 -0.914 584 HE3 LYS 64 HE3 LYS 64 4.975 16.392 0.392 585 HZ1 LYS 64 HZ1 LYS 64 6.690 17.976 1.015 586 HZ2 LYS 64 HZ2 LYS 64 7.654 17.484 -0.284 587 HZ3 LYS 64 HZ3 LYS 64 7.318 16.405 0.975 588 H GLU 65 H GLU 65 5.446 13.229 -4.572 589 HA GLU 65 HA GLU 65 5.167 10.739 -6.020 590 HB2 GLU 65 HB2 GLU 65 5.991 13.442 -6.629 591 HB3 GLU 65 HB3 GLU 65 7.237 12.305 -7.120 592 HG2 GLU 65 HG2 GLU 65 5.829 11.217 -8.630 593 HG3 GLU 65 HG3 GLU 65 4.392 11.870 -7.832 594 H GLY 66 H GLY 66 7.652 10.228 -6.984 595 HA2 GLY 66 HA2 GLY 66 8.790 8.537 -5.209 596 HA3 GLY 66 HA3 GLY 66 9.720 9.356 -6.443 597 H GLN 67 H GLN 67 8.680 9.413 -3.116 598 HA GLN 67 HA GLN 67 11.057 10.924 -2.326 599 HB2 GLN 67 HB2 GLN 67 9.753 12.272 -0.766 600 HB3 GLN 67 HB3 GLN 67 9.174 12.543 -2.403 601 HG2 GLN 67 HG2 GLN 67 7.147 12.212 -1.592 602 HG3 GLN 67 HG3 GLN 67 7.572 10.504 -1.554 603 HE21 GLN 67 HE21 GLN 67 8.307 9.605 0.407 604 HE22 GLN 67 HE22 GLN 67 7.900 10.323 1.923 605 H VAL 68 H VAL 68 11.478 10.573 0.101 606 HA VAL 68 HA VAL 68 11.098 7.798 0.636 607 HB VAL 68 HB VAL 68 12.403 9.755 2.500 608 HG11 VAL 68 HG11 VAL 68 12.444 6.866 1.973 609 HG12 VAL 68 HG12 VAL 68 12.225 7.702 3.508 610 HG13 VAL 68 HG13 VAL 68 13.828 7.603 2.776 611 HG21 VAL 68 HG21 VAL 68 14.498 9.325 1.380 612 HG22 VAL 68 HG22 VAL 68 13.336 10.118 0.303 613 HG23 VAL 68 HG23 VAL 68 13.616 8.351 0.179 614 H VAL 69 H VAL 69 9.331 7.097 1.594 615 HA VAL 69 HA VAL 69 8.067 8.785 3.656 616 HB VAL 69 HB VAL 69 6.167 6.888 2.868 617 HG11 VAL 69 HG11 VAL 69 4.857 8.778 2.214 618 HG12 VAL 69 HG12 VAL 69 6.301 9.775 2.027 619 HG13 VAL 69 HG13 VAL 69 5.814 9.219 3.629 620 HG21 VAL 69 HG21 VAL 69 7.885 7.600 0.627 621 HG22 VAL 69 HG22 VAL 69 6.186 7.971 0.341 622 HG23 VAL 69 HG23 VAL 69 6.671 6.328 0.763 623 H LYS 70 H LYS 70 6.545 7.271 5.044 624 HA LYS 70 HA LYS 70 7.889 4.748 5.643 625 HB2 LYS 70 HB2 LYS 70 8.814 6.630 7.087 626 HB3 LYS 70 HB3 LYS 70 7.220 6.723 7.823 627 HG2 LYS 70 HG2 LYS 70 7.878 4.031 7.947 628 HG3 LYS 70 HG3 LYS 70 9.381 4.876 8.325 629 HD2 LYS 70 HD2 LYS 70 8.056 6.253 9.971 630 HD3 LYS 70 HD3 LYS 70 6.716 5.136 9.705 631 HE2 LYS 70 HE2 LYS 70 8.162 3.272 10.410 632 HE3 LYS 70 HE3 LYS 70 9.463 4.420 10.725 633 HZ1 LYS 70 HZ1 LYS 70 8.284 3.844 12.750 634 HZ2 LYS 70 HZ2 LYS 70 6.823 4.381 12.089 635 HZ3 LYS 70 HZ3 LYS 70 8.069 5.484 12.391 636 H ILE 71 H ILE 71 6.281 3.352 5.331 637 HA ILE 71 HA ILE 71 3.541 4.023 5.857 638 HB ILE 71 HB ILE 71 4.745 1.333 5.206 639 HG12 ILE 71 HG12 ILE 71 5.069 3.275 3.551 640 HG13 ILE 71 HG13 ILE 71 4.367 1.777 2.929 641 HG21 ILE 71 HG21 ILE 71 1.924 2.337 5.357 642 HG22 ILE 71 HG22 ILE 71 2.631 0.903 6.105 643 HG23 ILE 71 HG23 ILE 71 2.354 0.945 4.363 644 HD11 ILE 71 HD11 ILE 71 3.307 3.914 2.138 645 HD12 ILE 71 HD12 ILE 71 2.753 4.176 3.792 646 HD13 ILE 71 HD13 ILE 71 2.189 2.772 2.886 647 H GLU 72 H GLU 72 2.194 3.228 7.527 648 HA GLU 72 HA GLU 72 3.632 2.046 9.741 649 HB2 GLU 72 HB2 GLU 72 2.454 4.470 9.728 650 HB3 GLU 72 HB3 GLU 72 1.127 3.517 10.285 651 HG2 GLU 72 HG2 GLU 72 3.580 2.863 11.655 652 HG3 GLU 72 HG3 GLU 72 3.196 4.578 11.795 653 H ASN 73 H ASN 73 1.803 1.305 11.265 654 HA ASN 73 HA ASN 73 0.837 -1.134 10.467 655 HB2 ASN 73 HB2 ASN 73 0.856 0.313 12.762 656 HB3 ASN 73 HB3 ASN 73 -0.818 0.325 12.317 657 HD21 ASN 73 HD21 ASN 73 -1.997 -1.386 13.020 658 HD22 ASN 73 HD22 ASN 73 -1.375 -2.907 13.536 659 H ALA 74 H ALA 74 -0.269 -1.289 8.612 660 HA ALA 74 HA ALA 74 -2.935 -0.032 8.554 661 HB1 ALA 74 HB1 ALA 74 -1.655 0.940 6.801 662 HB2 ALA 74 HB2 ALA 74 -2.734 -0.240 6.054 663 HB3 ALA 74 HB3 ALA 74 -1.031 -0.630 6.301 664 H TRP 75 H TRP 75 -2.020 -2.247 6.117 665 HA TRP 75 HA TRP 75 -2.502 -4.743 7.243 666 HB2 TRP 75 HB2 TRP 75 -4.831 -5.155 6.432 667 HB3 TRP 75 HB3 TRP 75 -4.726 -4.059 7.803 668 HD1 TRP 75 HD1 TRP 75 -5.345 -3.956 3.983 669 HE1 TRP 75 HE1 TRP 75 -6.719 -1.867 3.479 670 HE3 TRP 75 HE3 TRP 75 -5.388 -1.813 8.604 671 HZ2 TRP 75 HZ2 TRP 75 -7.655 0.353 4.779 672 HZ3 TRP 75 HZ3 TRP 75 -6.556 0.341 8.886 673 HH2 TRP 75 HH2 TRP 75 -7.690 1.404 6.980 674 H THR 76 H THR 76 -3.271 -6.326 5.578 675 HA THR 76 HA THR 76 -2.479 -5.509 2.885 676 HB THR 76 HB THR 76 -1.353 -7.827 2.737 677 HG1 THR 76 HG1 THR 76 -0.376 -8.281 4.912 678 HG21 THR 76 HG21 THR 76 0.787 -6.881 3.716 679 HG22 THR 76 HG22 THR 76 -0.166 -5.467 4.177 680 HG23 THR 76 HG23 THR 76 -0.010 -5.910 2.474 681 H THR 77 H THR 77 -3.702 -6.354 1.342 682 HA THR 77 HA THR 77 -5.475 -8.582 2.030 683 HB THR 77 HB THR 77 -7.390 -7.562 1.118 684 HG1 THR 77 HG1 THR 77 -6.621 -6.674 -0.763 685 HG21 THR 77 HG21 THR 77 -7.700 -6.164 2.846 686 HG22 THR 77 HG22 THR 77 -6.674 -4.951 2.085 687 HG23 THR 77 HG23 THR 77 -5.959 -6.169 3.139 688 H ALA 78 H ALA 78 -5.485 -10.175 0.508 689 HA ALA 78 HA ALA 78 -3.745 -9.791 -1.777 690 HB1 ALA 78 HB1 ALA 78 -3.515 -11.797 -0.405 691 HB2 ALA 78 HB2 ALA 78 -3.901 -12.192 -2.081 692 HB3 ALA 78 HB3 ALA 78 -5.154 -12.281 -0.843 693 H PHE 79 H PHE 79 -4.640 -8.804 -3.483 694 HA PHE 79 HA PHE 79 -7.314 -9.516 -4.322 695 HB2 PHE 79 HB2 PHE 79 -6.327 -7.093 -4.090 696 HB3 PHE 79 HB3 PHE 79 -5.622 -7.451 -5.682 697 HD1 PHE 79 HD1 PHE 79 -8.757 -7.278 -3.791 698 HD2 PHE 79 HD2 PHE 79 -6.943 -7.435 -7.611 699 HE1 PHE 79 HE1 PHE 79 -10.911 -6.860 -4.822 700 HE2 PHE 79 HE2 PHE 79 -9.095 -6.994 -8.656 701 HZ PHE 79 HZ PHE 79 -11.111 -6.704 -7.270 702 H LYS 80 H LYS 80 -7.602 -10.945 -5.882 703 HA LYS 80 HA LYS 80 -7.303 -12.298 -7.671 704 HB2 LYS 80 HB2 LYS 80 -5.258 -10.257 -8.547 705 HB3 LYS 80 HB3 LYS 80 -6.028 -11.460 -9.571 706 HG2 LYS 80 HG2 LYS 80 -7.575 -9.344 -8.105 707 HG3 LYS 80 HG3 LYS 80 -6.921 -9.103 -9.720 708 HD2 LYS 80 HD2 LYS 80 -8.242 -10.976 -10.551 709 HD3 LYS 80 HD3 LYS 80 -8.864 -11.272 -8.925 710 HE2 LYS 80 HE2 LYS 80 -9.941 -9.107 -8.904 711 HE3 LYS 80 HE3 LYS 80 -9.241 -8.711 -10.470 712 HZ1 LYS 80 HZ1 LYS 80 -11.534 -9.397 -10.698 713 HZ2 LYS 80 HZ2 LYS 80 -11.205 -10.875 -9.947 714 HZ3 LYS 80 HZ3 LYS 80 -10.518 -10.520 -11.450 715 H GLY 81 H GLY 81 -5.376 -12.367 -5.238 716 HA2 GLY 81 HA2 GLY 81 -4.106 -14.342 -4.769 717 HA3 GLY 81 HA3 GLY 81 -3.634 -14.402 -6.458 718 H GLN 82 H GLN 82 -3.245 -11.284 -5.967 719 HA GLN 82 HA GLN 82 -0.470 -11.611 -5.060 720 HB2 GLN 82 HB2 GLN 82 -0.889 -8.972 -5.990 721 HB3 GLN 82 HB3 GLN 82 0.088 -10.233 -6.727 722 HG2 GLN 82 HG2 GLN 82 -1.328 -10.435 -8.421 723 HG3 GLN 82 HG3 GLN 82 -2.707 -10.591 -7.338 724 HE21 GLN 82 HE21 GLN 82 -2.369 -8.048 -6.062 725 HE22 GLN 82 HE22 GLN 82 -2.823 -6.837 -7.207 726 H VAL 83 H VAL 83 0.308 -10.483 -3.305 727 HA VAL 83 HA VAL 83 -1.630 -9.550 -1.435 728 HB VAL 83 HB VAL 83 1.327 -8.999 -1.193 729 HG11 VAL 83 HG11 VAL 83 0.475 -9.720 1.255 730 HG12 VAL 83 HG12 VAL 83 -0.996 -9.003 0.598 731 HG13 VAL 83 HG13 VAL 83 0.490 -8.060 0.663 732 HG21 VAL 83 HG21 VAL 83 1.090 -11.346 -1.834 733 HG22 VAL 83 HG22 VAL 83 -0.061 -11.589 -0.521 734 HG23 VAL 83 HG23 VAL 83 1.618 -11.189 -0.159 735 H GLN 84 H GLN 84 -1.774 -7.393 -0.527 736 HA GLN 84 HA GLN 84 -0.638 -5.244 -2.140 737 HB2 GLN 84 HB2 GLN 84 -3.132 -6.115 -2.772 738 HB3 GLN 84 HB3 GLN 84 -3.514 -4.897 -1.565 739 HG2 GLN 84 HG2 GLN 84 -2.410 -3.198 -2.830 740 HG3 GLN 84 HG3 GLN 84 -1.785 -4.390 -3.969 741 HE21 GLN 84 HE21 GLN 84 -4.555 -2.584 -2.928 742 HE22 GLN 84 HE22 GLN 84 -5.567 -2.955 -4.307 743 H LEU 85 H LEU 85 -1.005 -3.103 -1.133 744 HA LEU 85 HA LEU 85 -1.314 -3.322 1.791 745 HB2 LEU 85 HB2 LEU 85 1.023 -2.870 0.479 746 HB3 LEU 85 HB3 LEU 85 0.476 -1.232 0.769 747 HG LEU 85 HG LEU 85 0.220 -2.745 3.190 748 HD11 LEU 85 HD11 LEU 85 2.606 -3.209 3.576 749 HD12 LEU 85 HD12 LEU 85 2.940 -2.824 1.887 750 HD13 LEU 85 HD13 LEU 85 1.931 -4.212 2.292 751 HD21 LEU 85 HD21 LEU 85 1.773 -0.979 3.985 752 HD22 LEU 85 HD22 LEU 85 0.383 -0.347 3.104 753 HD23 LEU 85 HD23 LEU 85 1.957 -0.440 2.314 754 H ASN 86 H ASN 86 -2.173 -1.496 2.870 755 HA ASN 86 HA ASN 86 -3.305 0.651 1.163 756 HB2 ASN 86 HB2 ASN 86 -4.809 -0.774 3.358 757 HB3 ASN 86 HB3 ASN 86 -5.426 0.491 2.323 758 HD21 ASN 86 HD21 ASN 86 -4.136 -2.724 2.351 759 HD22 ASN 86 HD22 ASN 86 -4.965 -3.287 0.949 760 H ALA 87 H ALA 87 -4.191 2.451 2.539 761 HA ALA 87 HA ALA 87 -2.954 2.483 5.191 762 HB1 ALA 87 HB1 ALA 87 -2.729 4.813 3.295 763 HB2 ALA 87 HB2 ALA 87 -1.439 3.648 3.590 764 HB3 ALA 87 HB3 ALA 87 -2.021 4.671 4.902 765 H GLY 88 H GLY 88 -4.510 2.818 6.585 766 HA2 GLY 88 HA2 GLY 88 -6.686 4.656 5.872 767 HA3 GLY 88 HA3 GLY 88 -6.882 3.283 6.863 768 H SER 89 H SER 89 -7.316 3.812 8.881 769 HA SER 89 HA SER 89 -6.507 6.368 9.874 770 HB2 SER 89 HB2 SER 89 -8.082 4.140 11.172 771 HB3 SER 89 HB3 SER 89 -7.782 5.704 11.927 772 HG SER 89 HG SER 89 -9.796 5.251 10.526 773 H LYS 90 H LYS 90 -5.860 3.018 11.182 774 HA LYS 90 HA LYS 90 -4.097 4.070 13.169 775 HB2 LYS 90 HB2 LYS 90 -3.424 1.820 13.694 776 HB3 LYS 90 HB3 LYS 90 -5.155 1.831 13.476 777 HG2 LYS 90 HG2 LYS 90 -3.565 1.147 11.103 778 HG3 LYS 90 HG3 LYS 90 -3.520 0.005 12.435 779 HD2 LYS 90 HD2 LYS 90 -6.212 0.776 12.127 780 HD3 LYS 90 HD3 LYS 90 -5.584 0.429 10.514 781 HE2 LYS 90 HE2 LYS 90 -5.399 -1.759 10.926 782 HE3 LYS 90 HE3 LYS 90 -4.744 -1.494 12.540 783 HZ1 LYS 90 HZ1 LYS 90 -6.959 -1.141 13.375 784 HZ2 LYS 90 HZ2 LYS 90 -6.895 -2.629 12.568 785 HZ3 LYS 90 HZ3 LYS 90 -7.615 -1.296 11.821 786 H THR 91 H THR 91 -3.760 4.048 9.985 787 HA THR 91 HA THR 91 -0.883 3.477 9.945 788 HB THR 91 HB THR 91 -2.511 4.350 7.559 789 HG1 THR 91 HG1 THR 91 -2.529 1.785 8.782 790 HG21 THR 91 HG21 THR 91 -0.192 2.444 7.899 791 HG22 THR 91 HG22 THR 91 -0.103 4.099 7.293 792 HG23 THR 91 HG23 THR 91 -0.958 2.866 6.368 793 H LYS 92 H LYS 92 0.484 5.196 10.099 794 HA LYS 92 HA LYS 92 -0.530 7.872 9.377 795 HB2 LYS 92 HB2 LYS 92 0.823 6.905 11.761 796 HB3 LYS 92 HB3 LYS 92 1.716 8.218 11.008 797 HG2 LYS 92 HG2 LYS 92 0.255 9.160 12.624 798 HG3 LYS 92 HG3 LYS 92 -0.381 9.563 11.029 799 HD2 LYS 92 HD2 LYS 92 -1.999 7.731 11.215 800 HD3 LYS 92 HD3 LYS 92 -1.362 7.334 12.815 801 HE2 LYS 92 HE2 LYS 92 -1.986 9.584 13.594 802 HE3 LYS 92 HE3 LYS 92 -2.665 9.931 12.005 803 HZ1 LYS 92 HZ1 LYS 92 -4.372 9.271 13.581 804 HZ2 LYS 92 HZ2 LYS 92 -3.594 7.793 13.846 805 HZ3 LYS 92 HZ3 LYS 92 -4.251 8.142 12.326 806 H ILE 93 H ILE 93 0.308 8.421 7.432 807 HA ILE 93 HA ILE 93 2.949 7.374 6.724 808 HB ILE 93 HB ILE 93 1.263 9.053 4.895 809 HG12 ILE 93 HG12 ILE 93 0.988 6.058 5.275 810 HG13 ILE 93 HG13 ILE 93 -0.182 7.250 5.824 811 HG21 ILE 93 HG21 ILE 93 3.557 8.545 4.236 812 HG22 ILE 93 HG22 ILE 93 2.395 7.750 3.167 813 HG23 ILE 93 HG23 ILE 93 3.230 6.818 4.409 814 HD11 ILE 93 HD11 ILE 93 0.559 6.578 2.993 815 HD12 ILE 93 HD12 ILE 93 -0.423 7.972 3.444 816 HD13 ILE 93 HD13 ILE 93 -0.990 6.340 3.803 817 H ALA 94 H ALA 94 4.713 8.616 6.290 818 HA ALA 94 HA ALA 94 4.642 11.514 6.087 819 HB1 ALA 94 HB1 ALA 94 5.938 11.957 8.056 820 HB2 ALA 94 HB2 ALA 94 5.707 10.285 8.641 821 HB3 ALA 94 HB3 ALA 94 4.318 11.377 8.506 822 H GLU 95 H GLU 95 6.589 12.464 5.490 823 HA GLU 95 HA GLU 95 8.364 10.838 4.037 824 HB2 GLU 95 HB2 GLU 95 9.042 13.649 4.892 825 HB3 GLU 95 HB3 GLU 95 9.323 12.718 3.588 826 HG2 GLU 95 HG2 GLU 95 7.887 13.792 2.547 827 HG3 GLU 95 HG3 GLU 95 6.771 12.738 3.235 828 H ALA 96 H ALA 96 10.242 10.013 4.488 829 HA ALA 96 HA ALA 96 11.376 10.435 7.191 830 HB1 ALA 96 HB1 ALA 96 11.819 8.150 7.502 831 HB2 ALA 96 HB2 ALA 96 11.532 7.785 5.793 832 HB3 ALA 96 HB3 ALA 96 10.175 8.199 6.855 833 H SER 97 H SER 97 13.552 10.712 7.310 834 HA SER 97 HA SER 97 15.020 10.664 4.758 835 HB2 SER 97 HB2 SER 97 16.584 12.265 5.944 836 HB3 SER 97 HB3 SER 97 15.001 12.868 5.568 837 HG SER 97 HG SER 97 15.198 11.641 8.025 838 H GLU 98 H GLU 98 16.602 9.230 4.529 839 HA GLU 98 HA GLU 98 17.890 8.150 6.943 840 HB2 GLU 98 HB2 GLU 98 16.961 6.596 4.521 841 HB3 GLU 98 HB3 GLU 98 17.959 5.921 5.777 842 HG2 GLU 98 HG2 GLU 98 15.519 7.155 6.735 843 HG3 GLU 98 HG3 GLU 98 15.329 5.705 5.749 844 H ASP 99 H ASP 99 19.634 6.400 5.386 845 HA ASP 99 HA ASP 99 21.605 8.281 4.647 846 HB2 ASP 99 HB2 ASP 99 21.482 5.286 4.835 847 HB3 ASP 99 HB3 ASP 99 22.852 6.073 4.055 848 H GLY 100 H GLY 100 19.046 7.879 3.000 849 HA2 GLY 100 HA2 GLY 100 18.895 8.451 0.702 850 HA3 GLY 100 HA3 GLY 100 20.464 7.715 0.410 851 H PHE 101 H PHE 101 17.052 7.061 0.975 852 HA PHE 101 HA PHE 101 17.114 4.275 0.677 853 HB2 PHE 101 HB2 PHE 101 15.156 6.225 1.084 854 HB3 PHE 101 HB3 PHE 101 14.708 5.460 -0.435 855 HD1 PHE 101 HD2 PHE 101 15.781 4.542 3.023 856 HD2 PHE 101 HD1 PHE 101 13.386 3.585 -0.362 857 HE1 PHE 101 HE2 PHE 101 14.807 2.658 4.252 858 HE2 PHE 101 HE1 PHE 101 12.386 1.731 0.831 859 HZ PHE 101 HZ PHE 101 13.108 1.236 3.181 860 HA PRO 102 HA PRO 102 18.067 3.443 -3.556 861 HB2 PRO 102 HB2 PRO 102 15.674 1.662 -3.492 862 HB3 PRO 102 HB3 PRO 102 17.331 1.304 -4.001 863 HG2 PRO 102 HG2 PRO 102 16.450 0.433 -1.661 864 HG3 PRO 102 HG3 PRO 102 18.104 1.054 -1.833 865 HD2 PRO 102 HD2 PRO 102 15.719 2.346 -0.597 866 HD3 PRO 102 HD3 PRO 102 17.437 2.441 -0.130 867 H GLU 103 H GLU 103 17.483 4.167 -5.552 868 HA GLU 103 HA GLU 103 15.266 5.961 -5.729 869 HB2 GLU 103 HB2 GLU 103 17.626 5.951 -6.944 870 HB3 GLU 103 HB3 GLU 103 16.729 5.058 -8.166 871 HG2 GLU 103 HG2 GLU 103 15.245 6.862 -8.529 872 HG3 GLU 103 HG3 GLU 103 15.824 7.717 -7.100 873 H SER 104 H SER 104 13.638 5.870 -7.453 874 HA SER 104 HA SER 104 12.190 3.450 -7.383 875 HB2 SER 104 HB2 SER 104 11.747 5.614 -9.433 876 HB3 SER 104 HB3 SER 104 10.555 4.554 -8.682 877 HG SER 104 HG SER 104 12.018 6.622 -7.400 878 H SER 105 H SER 105 14.562 4.704 -9.585 879 HA SER 105 HA SER 105 13.921 2.848 -11.702 880 HB2 SER 105 HB2 SER 105 15.457 5.228 -11.462 881 HB3 SER 105 HB3 SER 105 16.540 3.951 -12.015 882 HG SER 105 HG SER 105 15.442 3.782 -13.839 883 H GLN 106 H GLN 106 15.416 2.543 -8.772 884 HA GLN 106 HA GLN 106 17.021 0.259 -9.721 885 HB2 GLN 106 HB2 GLN 106 17.646 1.946 -7.304 886 HB3 GLN 106 HB3 GLN 106 18.633 0.691 -7.981 887 HG2 GLN 106 HG2 GLN 106 18.688 2.184 -10.094 888 HG3 GLN 106 HG3 GLN 106 18.088 3.442 -9.014 889 HE21 GLN 106 HE21 GLN 106 20.474 0.854 -8.585 890 HE22 GLN 106 HE22 GLN 106 21.774 1.893 -8.121 891 H ILE 107 H ILE 107 14.235 0.883 -8.395 892 HA ILE 107 HA ILE 107 14.427 -0.896 -6.088 893 HB ILE 107 HB ILE 107 12.388 1.054 -7.060 894 HG12 ILE 107 HG12 ILE 107 13.178 0.444 -4.224 895 HG13 ILE 107 HG13 ILE 107 14.226 1.402 -5.266 896 HG21 ILE 107 HG21 ILE 107 10.681 0.163 -5.564 897 HG22 ILE 107 HG22 ILE 107 11.729 -1.209 -5.160 898 HG23 ILE 107 HG23 ILE 107 11.102 -1.016 -6.805 899 HD11 ILE 107 HD11 ILE 107 11.431 2.251 -5.184 900 HD12 ILE 107 HD12 ILE 107 12.925 3.194 -5.155 901 HD13 ILE 107 HD13 ILE 107 12.330 2.410 -3.672 902 HA PRO 108 HA PRO 108 13.335 -4.431 -8.633 903 HB2 PRO 108 HB2 PRO 108 12.461 -5.454 -5.974 904 HB3 PRO 108 HB3 PRO 108 13.504 -6.214 -7.183 905 HG2 PRO 108 HG2 PRO 108 14.562 -5.176 -4.989 906 HG3 PRO 108 HG3 PRO 108 15.368 -4.988 -6.561 907 HD2 PRO 108 HD2 PRO 108 13.787 -2.995 -5.004 908 HD3 PRO 108 HD3 PRO 108 15.238 -2.760 -6.000 909 H GLU 109 H GLU 109 11.404 -5.732 -9.041 910 HA GLU 109 HA GLU 109 8.928 -4.313 -8.297 911 HB2 GLU 109 HB2 GLU 109 8.061 -5.132 -10.548 912 HB3 GLU 109 HB3 GLU 109 9.255 -3.844 -10.592 913 HG2 GLU 109 HG2 GLU 109 10.973 -5.341 -11.252 914 HG3 GLU 109 HG3 GLU 109 9.954 -6.745 -10.937 915 H ASN 110 H ASN 110 10.502 -6.912 -7.486 916 HA ASN 110 HA ASN 110 8.970 -9.153 -8.048 917 HB2 ASN 110 HB2 ASN 110 11.207 -8.765 -6.630 918 HB3 ASN 110 HB3 ASN 110 10.068 -8.897 -5.294 919 HD21 ASN 110 HD21 ASN 110 11.992 -10.573 -7.452 920 HD22 ASN 110 HD22 ASN 110 11.356 -12.158 -7.192 921 H THR 111 H THR 111 6.953 -9.699 -7.589 922 HA THR 111 HA THR 111 5.418 -8.110 -5.706 923 HB THR 111 HB THR 111 3.826 -10.205 -6.773 924 HG1 THR 111 HG1 THR 111 5.608 -9.014 -8.639 925 HG21 THR 111 HG21 THR 111 3.117 -7.893 -6.211 926 HG22 THR 111 HG22 THR 111 2.623 -8.385 -7.830 927 HG23 THR 111 HG23 THR 111 4.003 -7.310 -7.619 928 HA PRO 112 HA PRO 112 6.276 -11.160 -2.492 929 HB2 PRO 112 HB2 PRO 112 4.144 -9.605 -1.131 930 HB3 PRO 112 HB3 PRO 112 5.761 -10.045 -0.561 931 HG2 PRO 112 HG2 PRO 112 5.260 -7.557 -1.318 932 HG3 PRO 112 HG3 PRO 112 6.800 -8.339 -1.733 933 HD2 PRO 112 HD2 PRO 112 4.413 -7.852 -3.461 934 HD3 PRO 112 HD3 PRO 112 6.140 -7.711 -3.852 935 H THR 113 H THR 113 5.314 -13.071 -2.010 936 HA THR 113 HA THR 113 2.429 -13.371 -2.122 937 HB THR 113 HB THR 113 3.653 -15.514 -3.666 938 HG1 THR 113 HG1 THR 113 3.829 -14.053 -5.570 939 HG21 THR 113 HG21 THR 113 1.239 -15.126 -3.491 940 HG22 THR 113 HG22 THR 113 1.779 -15.040 -5.167 941 HG23 THR 113 HG23 THR 113 1.433 -13.559 -4.275 942 H ALA 114 H ALA 114 1.823 -14.649 -0.505 943 HA ALA 114 HA ALA 114 3.676 -15.963 1.172 944 HB1 ALA 114 HB1 ALA 114 1.723 -16.813 2.360 945 HB2 ALA 114 HB2 ALA 114 0.683 -16.312 1.026 946 HB3 ALA 114 HB3 ALA 114 1.536 -15.101 1.983 947 H ARG 115 H ARG 115 3.548 -18.297 1.758 948 HA ARG 115 HA ARG 115 3.737 -19.891 -0.659 949 HB2 ARG 115 HB2 ARG 115 4.576 -21.658 0.928 950 HB3 ARG 115 HB3 ARG 115 5.535 -20.186 0.876 951 HG2 ARG 115 HG2 ARG 115 4.347 -19.420 2.927 952 HG3 ARG 115 HG3 ARG 115 3.574 -21.004 3.006 953 HD2 ARG 115 HD2 ARG 115 5.572 -20.815 4.456 954 HD3 ARG 115 HD3 ARG 115 5.706 -22.088 3.245 955 HE ARG 115 HE ARG 115 6.950 -19.449 2.848 956 HH11 ARG 115 HH11 ARG 115 7.146 -22.927 2.974 957 HH12 ARG 115 HH12 ARG 115 8.767 -22.986 2.371 958 HH21 ARG 115 HH21 ARG 115 9.086 -19.519 2.052 959 HH22 ARG 115 HH22 ARG 115 9.872 -21.048 1.849 960 H ARG 116 H ARG 116 2.465 -21.608 -1.193 961 HA ARG 116 HA ARG 116 0.053 -22.003 0.452 962 HB2 ARG 116 HB2 ARG 116 0.480 -22.106 -2.525 963 HB3 ARG 116 HB3 ARG 116 -0.912 -22.872 -1.773 964 HG2 ARG 116 HG2 ARG 116 -1.523 -20.677 -0.792 965 HG3 ARG 116 HG3 ARG 116 -0.197 -19.950 -1.703 966 HD2 ARG 116 HD2 ARG 116 -1.913 -21.598 -3.369 967 HD3 ARG 116 HD3 ARG 116 -2.801 -20.298 -2.576 968 HE ARG 116 HE ARG 116 -0.899 -20.042 -4.693 969 HH11 ARG 116 HH11 ARG 116 -2.265 -18.429 -1.922 970 HH12 ARG 116 HH12 ARG 116 -1.923 -16.839 -2.516 971 HH21 ARG 116 HH21 ARG 116 -0.444 -17.952 -5.484 972 HH22 ARG 116 HH22 ARG 116 -0.888 -16.568 -4.542 973 H ARG 117 H ARG 117 -0.756 -24.111 0.727 974 HA ARG 117 HA ARG 117 1.286 -26.137 0.819 975 HB2 ARG 117 HB2 ARG 117 -1.641 -26.515 1.435 976 HB3 ARG 117 HB3 ARG 117 -0.279 -27.445 2.043 977 HG2 ARG 117 HG2 ARG 117 0.474 -25.533 3.338 978 HG3 ARG 117 HG3 ARG 117 -0.854 -24.563 2.698 979 HD2 ARG 117 HD2 ARG 117 -1.519 -27.138 4.020 980 HD3 ARG 117 HD3 ARG 117 -1.011 -25.794 5.042 981 HE ARG 117 HE ARG 117 -2.958 -24.839 3.293 982 HH11 ARG 117 HH11 ARG 117 -2.691 -27.118 5.918 983 HH12 ARG 117 HH12 ARG 117 -4.335 -26.922 6.425 984 HH21 ARG 117 HH21 ARG 117 -5.123 -24.575 3.955 985 HH22 ARG 117 HH22 ARG 117 -5.717 -25.477 5.308 Start of MODEL 3 1 H5' DT 1 H5' DT 1 -19.044 -3.949 6.425 2 H5'' DT 1 H5'' DT 1 -19.099 -4.138 8.189 3 H4' DT 1 H4' DT 1 -16.858 -4.149 8.411 4 H3' DT 1 H3' DT 1 -16.712 -2.182 6.154 5 H2' DT 1 H2' DT 1 -14.491 -2.954 5.623 6 H2'' DT 1 H2'' DT 1 -14.337 -3.833 7.137 7 H1' DT 1 H1' DT 1 -15.062 -5.645 5.784 8 H3 DT 1 H3 DT 1 -16.877 -6.213 1.646 9 H71 DT 1 H71 DT 1 -16.068 -1.580 1.058 10 H72 DT 1 H72 DT 1 -17.706 -1.451 1.740 11 H73 DT 1 H73 DT 1 -16.298 -0.948 2.705 12 H6 DT 1 H6 DT 1 -15.987 -2.453 4.442 13 HO5' DT 1 HO5' DT 1 -17.983 -1.780 7.568 14 H5' DT 2 H5' DT 2 -13.064 -1.827 7.527 15 H5'' DT 2 H5'' DT 2 -12.800 -0.248 8.299 16 H4' DT 2 H4' DT 2 -12.418 0.017 5.484 17 H3' DT 2 H3' DT 2 -11.005 -2.369 6.646 18 H2' DT 2 H2' DT 2 -9.092 -1.777 5.323 19 H2'' DT 2 H2'' DT 2 -10.006 -0.634 4.352 20 H1' DT 2 H1' DT 2 -9.194 0.921 5.987 21 H3 DT 2 H3 DT 2 -7.818 0.341 10.473 22 H71 DT 2 H71 DT 2 -6.057 -3.680 8.975 23 H72 DT 2 H72 DT 2 -6.762 -3.897 7.356 24 H73 DT 2 H73 DT 2 -7.715 -4.303 8.804 25 H6 DT 2 H6 DT 2 -8.283 -2.227 6.493 26 H5' DT 3 H5' DT 3 -13.540 -5.314 2.023 27 H5'' DT 3 H5'' DT 3 -11.878 -4.701 2.140 28 H4' DT 3 H4' DT 3 -14.312 -3.447 1.073 29 H3' DT 3 H3' DT 3 -11.766 -3.953 0.079 30 H2' DT 3 H2' DT 3 -10.726 -2.102 1.210 31 H2'' DT 3 H2'' DT 3 -11.217 -1.345 -0.298 32 H1' DT 3 H1' DT 3 -13.413 -0.715 0.692 33 H3 DT 3 H3 DT 3 -13.254 2.745 3.540 34 H71 DT 3 H71 DT 3 -8.923 1.982 4.646 35 H72 DT 3 H72 DT 3 -8.309 1.435 3.068 36 H73 DT 3 H73 DT 3 -8.730 0.243 4.320 37 H6 DT 3 H6 DT 3 -10.136 -0.635 2.300 38 H5' DT 4 H5' DT 4 -14.644 -1.811 -2.719 39 H5'' DT 4 H5'' DT 4 -14.573 -1.995 -4.483 40 H4' DT 4 H4' DT 4 -13.538 0.094 -3.458 41 H3' DT 4 H3' DT 4 -12.386 -1.591 -5.588 42 H2' DT 4 H2' DT 4 -10.169 -1.037 -5.131 43 H2'' DT 4 H2'' DT 4 -10.598 0.666 -5.017 44 H1' DT 4 H1' DT 4 -10.844 0.653 -2.744 45 H3 DT 4 H3 DT 4 -6.360 -1.036 -2.649 46 H71 DT 4 H71 DT 4 -8.055 -4.240 0.181 47 H72 DT 4 H72 DT 4 -9.015 -3.058 1.101 48 H73 DT 4 H73 DT 4 -9.819 -4.154 -0.047 49 H6 DT 4 H6 DT 4 -10.766 -2.240 -1.280 50 H5' DT 5 H5' DT 5 -13.519 -1.522 -8.484 51 H5'' DT 5 H5'' DT 5 -12.643 -2.549 -7.329 52 H4' DT 5 H4' DT 5 -11.948 -1.895 -10.182 53 H3' DT 5 H3' DT 5 -13.397 -3.992 -9.434 54 H2' DT 5 H2' DT 5 -11.957 -4.898 -7.752 55 H2'' DT 5 H2'' DT 5 -11.403 -5.802 -9.155 56 H1' DT 5 H1' DT 5 -9.494 -4.438 -9.468 57 H3 DT 5 H3 DT 5 -6.546 -4.742 -6.140 58 H71 DT 5 H71 DT 5 -9.661 -4.040 -2.888 59 H72 DT 5 H72 DT 5 -11.205 -4.334 -3.722 60 H73 DT 5 H73 DT 5 -10.526 -2.691 -3.661 61 H6 DT 5 H6 DT 5 -11.204 -3.754 -6.253 62 H5' DT 6 H5' DT 6 -10.686 -6.188 -13.242 63 H5'' DT 6 H5'' DT 6 -10.212 -7.726 -12.493 64 H4' DT 6 H4' DT 6 -9.751 -5.138 -11.063 65 H3' DT 6 H3' DT 6 -8.207 -6.039 -13.451 66 HO3' DT 6 HO3' DT 6 -9.373 -3.874 -12.474 67 H2' DT 6 H2' DT 6 -6.111 -5.675 -12.330 68 H2'' DT 6 H2'' DT 6 -6.861 -4.747 -11.037 69 H1' DT 6 H1' DT 6 -6.791 -6.858 -9.949 70 H3 DT 6 H3 DT 6 -4.277 -9.983 -12.140 71 H71 DT 6 H71 DT 6 -9.150 -10.117 -14.264 72 H72 DT 6 H72 DT 6 -9.041 -11.410 -13.046 73 H73 DT 6 H73 DT 6 -7.962 -11.427 -14.462 74 H6 DT 6 H6 DT 6 -8.801 -8.496 -12.385 75 H1 MET 1 H MET 1 11.834 -2.090 14.802 76 H1 MET 1 HT1 MET 1 11.447 -1.057 13.519 77 H2 MET 1 H2 MET 1 11.944 -2.643 13.207 78 HA MET 1 HA MET 1 9.979 -3.527 14.231 79 HB2 MET 1 HB2 MET 1 9.341 -0.612 14.701 80 HB3 MET 1 HB3 MET 1 8.160 -1.905 14.860 81 HG2 MET 1 HG2 MET 1 10.294 -2.748 16.404 82 HG3 MET 1 HG3 MET 1 10.197 -1.015 16.707 83 HE1 MET 1 HE1 MET 1 9.864 -2.623 19.186 84 HE2 MET 1 HE2 MET 1 9.396 -4.081 18.310 85 HE3 MET 1 HE3 MET 1 8.313 -3.394 19.521 86 H GLU 2 H GLU 2 11.106 -2.252 11.657 87 HA GLU 2 HA GLU 2 8.551 -2.209 10.192 88 HB2 GLU 2 HB2 GLU 2 9.999 -0.930 8.441 89 HB3 GLU 2 HB3 GLU 2 9.365 -0.067 9.837 90 HG2 GLU 2 HG2 GLU 2 11.931 -1.203 10.448 91 HG3 GLU 2 HG3 GLU 2 12.020 -0.223 8.986 92 H GLU 3 H GLU 3 8.257 -3.716 8.683 93 HA GLU 3 HA GLU 3 10.480 -5.519 8.095 94 HB2 GLU 3 HB2 GLU 3 8.889 -7.142 7.498 95 HB3 GLU 3 HB3 GLU 3 8.199 -6.332 8.897 96 HG2 GLU 3 HG2 GLU 3 7.038 -4.854 7.062 97 HG3 GLU 3 HG3 GLU 3 7.345 -6.265 6.050 98 H LYS 4 H LYS 4 10.387 -6.517 5.808 99 HA LYS 4 HA LYS 4 10.467 -4.231 3.902 100 HB2 LYS 4 HB2 LYS 4 11.646 -6.056 2.487 101 HB3 LYS 4 HB3 LYS 4 12.514 -5.285 3.806 102 HG2 LYS 4 HG2 LYS 4 11.034 -7.769 4.426 103 HG3 LYS 4 HG3 LYS 4 12.491 -7.913 3.444 104 HD2 LYS 4 HD2 LYS 4 12.716 -6.198 5.833 105 HD3 LYS 4 HD3 LYS 4 12.481 -7.919 6.146 106 HE2 LYS 4 HE2 LYS 4 14.370 -8.023 4.219 107 HE3 LYS 4 HE3 LYS 4 14.789 -6.494 4.990 108 HZ1 LYS 4 HZ1 LYS 4 14.503 -9.108 6.372 109 HZ2 LYS 4 HZ2 LYS 4 14.907 -7.643 7.113 110 HZ3 LYS 4 HZ3 LYS 4 15.966 -8.344 5.997 111 H VAL 5 H VAL 5 9.983 -4.952 1.572 112 HA VAL 5 HA VAL 5 7.232 -5.716 1.477 113 HB VAL 5 HB VAL 5 9.191 -5.299 -0.790 114 HG11 VAL 5 HG11 VAL 5 7.336 -6.554 -1.607 115 HG12 VAL 5 HG12 VAL 5 7.113 -4.878 -2.116 116 HG13 VAL 5 HG13 VAL 5 6.190 -5.518 -0.757 117 HG21 VAL 5 HG21 VAL 5 7.198 -3.401 0.444 118 HG22 VAL 5 HG22 VAL 5 8.197 -3.071 -0.972 119 HG23 VAL 5 HG23 VAL 5 8.952 -3.312 0.605 120 H GLY 6 H GLY 6 10.287 -7.296 0.707 121 HA2 GLY 6 HA2 GLY 6 9.053 -9.592 -0.498 122 HA3 GLY 6 HA3 GLY 6 10.747 -9.425 -0.064 123 H ASN 7 H ASN 7 8.947 -8.626 2.602 124 HA ASN 7 HA ASN 7 8.908 -11.398 3.590 125 HB2 ASN 7 HB2 ASN 7 10.821 -9.778 4.367 126 HB3 ASN 7 HB3 ASN 7 9.573 -9.135 5.428 127 HD21 ASN 7 HD21 ASN 7 10.093 -9.857 7.364 128 HD22 ASN 7 HD22 ASN 7 10.401 -11.472 7.776 129 H LEU 8 H LEU 8 7.051 -8.806 2.871 130 HA LEU 8 HA LEU 8 5.390 -8.703 5.221 131 HB2 LEU 8 HB2 LEU 8 4.315 -6.976 4.212 132 HB3 LEU 8 HB3 LEU 8 5.794 -6.938 3.275 133 HG LEU 8 HG LEU 8 4.302 -8.648 1.781 134 HD11 LEU 8 HD11 LEU 8 2.179 -8.616 2.495 135 HD12 LEU 8 HD12 LEU 8 2.120 -6.974 1.761 136 HD13 LEU 8 HD13 LEU 8 2.471 -7.169 3.498 137 HD21 LEU 8 HD21 LEU 8 5.501 -6.842 0.825 138 HD22 LEU 8 HD22 LEU 8 4.500 -5.653 1.660 139 HD23 LEU 8 HD23 LEU 8 3.808 -6.637 0.372 140 H LYS 9 H LYS 9 3.192 -9.455 5.348 141 HA LYS 9 HA LYS 9 2.331 -11.375 3.394 142 HB2 LYS 9 HB2 LYS 9 1.782 -12.857 4.991 143 HB3 LYS 9 HB3 LYS 9 3.381 -12.402 5.311 144 HG2 LYS 9 HG2 LYS 9 2.804 -11.820 7.410 145 HG3 LYS 9 HG3 LYS 9 1.551 -10.791 6.762 146 HD2 LYS 9 HD2 LYS 9 0.191 -12.220 7.895 147 HD3 LYS 9 HD3 LYS 9 0.370 -13.177 6.422 148 HE2 LYS 9 HE2 LYS 9 1.141 -14.817 7.717 149 HE3 LYS 9 HE3 LYS 9 2.592 -13.840 7.941 150 HZ1 LYS 9 HZ1 LYS 9 1.571 -12.846 9.896 151 HZ2 LYS 9 HZ2 LYS 9 1.663 -14.527 10.056 152 HZ3 LYS 9 HZ3 LYS 9 0.186 -13.794 9.682 153 HA PRO 10 HA PRO 10 -1.517 -9.231 3.731 154 HB2 PRO 10 HB2 PRO 10 -3.265 -11.080 2.863 155 HB3 PRO 10 HB3 PRO 10 -2.098 -10.312 1.811 156 HG2 PRO 10 HG2 PRO 10 -2.006 -13.007 3.086 157 HG3 PRO 10 HG3 PRO 10 -1.524 -12.550 1.441 158 HD2 PRO 10 HD2 PRO 10 0.321 -12.847 3.486 159 HD3 PRO 10 HD3 PRO 10 0.529 -11.831 2.095 160 H ASN 11 H ASN 11 -3.656 -9.295 4.711 161 HA ASN 11 HA ASN 11 -5.161 -9.688 6.401 162 HB2 ASN 11 HB2 ASN 11 -3.849 -12.302 6.110 163 HB3 ASN 11 HB3 ASN 11 -4.553 -12.019 7.700 164 HD21 ASN 11 HD21 ASN 11 -5.216 -12.118 4.254 165 HD22 ASN 11 HD22 ASN 11 -6.931 -12.431 4.408 166 H MET 12 H MET 12 -2.482 -8.378 6.860 167 HA MET 12 HA MET 12 -2.254 -8.800 9.714 168 HB2 MET 12 HB2 MET 12 -0.414 -7.478 7.717 169 HB3 MET 12 HB3 MET 12 -0.163 -7.527 9.408 170 HG2 MET 12 HG2 MET 12 -0.530 -10.152 8.898 171 HG3 MET 12 HG3 MET 12 0.226 -9.563 7.426 172 HE1 MET 12 HE1 MET 12 2.602 -8.793 7.151 173 HE2 MET 12 HE2 MET 12 3.728 -8.459 8.488 174 HE3 MET 12 HE3 MET 12 2.334 -7.411 8.226 175 H GLU 13 H GLU 13 -3.052 -7.335 11.070 176 HA GLU 13 HA GLU 13 -4.205 -4.901 10.019 177 HB2 GLU 13 HB2 GLU 13 -4.139 -5.364 12.945 178 HB3 GLU 13 HB3 GLU 13 -5.460 -4.822 11.922 179 HG2 GLU 13 HG2 GLU 13 -5.308 -7.319 11.048 180 HG3 GLU 13 HG3 GLU 13 -4.625 -7.567 12.654 181 H SER 14 H SER 14 -1.190 -5.489 10.403 182 HA SER 14 HA SER 14 -0.507 -2.790 11.135 183 HB2 SER 14 HB2 SER 14 1.253 -3.734 12.820 184 HB3 SER 14 HB3 SER 14 -0.410 -3.506 13.355 185 HG SER 14 HG SER 14 0.757 -5.938 12.477 186 H VAL 15 H VAL 15 0.822 -2.248 9.532 187 HA VAL 15 HA VAL 15 3.050 -4.053 8.894 188 HB VAL 15 HB VAL 15 1.903 -2.620 6.581 189 HG11 VAL 15 HG11 VAL 15 2.509 -4.705 5.441 190 HG12 VAL 15 HG12 VAL 15 2.943 -5.422 6.993 191 HG13 VAL 15 HG13 VAL 15 3.858 -4.048 6.370 192 HG21 VAL 15 HG21 VAL 15 -0.014 -3.816 6.281 193 HG22 VAL 15 HG22 VAL 15 -0.002 -3.750 8.045 194 HG23 VAL 15 HG23 VAL 15 0.569 -5.196 7.211 195 H ASN 16 H ASN 16 4.803 -2.939 9.370 196 HA ASN 16 HA ASN 16 4.947 -0.073 8.738 197 HB2 ASN 16 HB2 ASN 16 5.627 -1.494 11.032 198 HB3 ASN 16 HB3 ASN 16 7.125 -0.976 10.285 199 HD21 ASN 16 HD21 ASN 16 6.775 1.387 9.344 200 HD22 ASN 16 HD22 ASN 16 6.206 2.500 10.559 201 H VAL 17 H VAL 17 6.260 0.587 7.117 202 HA VAL 17 HA VAL 17 8.611 -0.942 6.423 203 HB VAL 17 HB VAL 17 7.161 -2.335 5.289 204 HG11 VAL 17 HG11 VAL 17 5.263 -0.561 5.515 205 HG12 VAL 17 HG12 VAL 17 5.182 -1.796 4.235 206 HG13 VAL 17 HG13 VAL 17 5.721 -0.163 3.843 207 HG21 VAL 17 HG21 VAL 17 8.986 -1.753 3.828 208 HG22 VAL 17 HG22 VAL 17 8.161 -0.281 3.318 209 HG23 VAL 17 HG23 VAL 17 7.528 -1.856 2.841 210 H THR 18 H THR 18 9.957 0.083 4.898 211 HA THR 18 HA THR 18 9.290 2.887 4.308 212 HB THR 18 HB THR 18 12.149 2.168 4.280 213 HG1 THR 18 HG1 THR 18 12.204 2.313 6.644 214 HG21 THR 18 HG21 THR 18 10.439 4.467 4.788 215 HG22 THR 18 HG22 THR 18 12.125 4.409 4.240 216 HG23 THR 18 HG23 THR 18 11.741 4.321 5.970 217 H VAL 19 H VAL 19 9.398 3.458 2.139 218 HA VAL 19 HA VAL 19 10.814 1.874 0.278 219 HB VAL 19 HB VAL 19 8.882 1.451 -1.203 220 HG11 VAL 19 HG11 VAL 19 9.580 -0.365 0.109 221 HG12 VAL 19 HG12 VAL 19 7.783 -0.211 0.031 222 HG13 VAL 19 HG13 VAL 19 8.713 0.322 1.542 223 HG21 VAL 19 HG21 VAL 19 7.307 3.089 -0.582 224 HG22 VAL 19 HG22 VAL 19 7.357 2.606 1.111 225 HG23 VAL 19 HG23 VAL 19 6.596 1.551 -0.079 226 H ARG 20 H ARG 20 10.124 2.741 -2.037 227 HA ARG 20 HA ARG 20 10.017 5.626 -1.868 228 HB2 ARG 20 HB2 ARG 20 12.173 4.514 -2.627 229 HB3 ARG 20 HB3 ARG 20 11.348 4.082 -4.087 230 HG2 ARG 20 HG2 ARG 20 12.093 6.086 -4.865 231 HG3 ARG 20 HG3 ARG 20 10.880 6.819 -3.812 232 HD2 ARG 20 HD2 ARG 20 12.488 6.987 -2.017 233 HD3 ARG 20 HD3 ARG 20 13.697 6.145 -2.981 234 HE ARG 20 HE ARG 20 12.656 8.838 -3.567 235 HH11 ARG 20 HH11 ARG 20 15.162 6.418 -3.758 236 HH12 ARG 20 HH12 ARG 20 16.301 7.475 -4.520 237 HH21 ARG 20 HH21 ARG 20 14.153 10.235 -4.571 238 HH22 ARG 20 HH22 ARG 20 15.728 9.644 -4.981 239 H VAL 21 H VAL 21 8.894 6.779 -3.560 240 HA VAL 21 HA VAL 21 6.493 5.371 -4.395 241 HB VAL 21 HB VAL 21 7.455 8.158 -5.301 242 HG11 VAL 21 HG11 VAL 21 5.069 8.568 -5.603 243 HG12 VAL 21 HG12 VAL 21 4.744 6.886 -5.182 244 HG13 VAL 21 HG13 VAL 21 5.658 7.268 -6.640 245 HG21 VAL 21 HG21 VAL 21 6.168 9.051 -3.457 246 HG22 VAL 21 HG22 VAL 21 7.481 8.025 -2.875 247 HG23 VAL 21 HG23 VAL 21 5.827 7.413 -2.897 248 H LEU 22 H LEU 22 6.171 4.345 -6.234 249 HA LEU 22 HA LEU 22 8.126 4.555 -8.404 250 HB2 LEU 22 HB2 LEU 22 6.069 2.391 -7.991 251 HB3 LEU 22 HB3 LEU 22 7.442 2.368 -9.043 252 HG LEU 22 HG LEU 22 7.487 2.215 -6.058 253 HD11 LEU 22 HD11 LEU 22 8.494 0.250 -8.102 254 HD12 LEU 22 HD12 LEU 22 6.902 0.159 -7.349 255 HD13 LEU 22 HD13 LEU 22 8.354 0.019 -6.359 256 HD21 LEU 22 HD21 LEU 22 9.888 2.158 -7.871 257 HD22 LEU 22 HD22 LEU 22 9.841 2.205 -6.109 258 HD23 LEU 22 HD23 LEU 22 9.341 3.614 -7.035 259 H GLU 23 H GLU 23 4.872 5.052 -7.498 260 HA GLU 23 HA GLU 23 4.313 6.489 -9.967 261 HB2 GLU 23 HB2 GLU 23 3.869 3.924 -10.335 262 HB3 GLU 23 HB3 GLU 23 2.402 4.249 -9.423 263 HG2 GLU 23 HG2 GLU 23 1.481 4.800 -11.366 264 HG3 GLU 23 HG3 GLU 23 2.446 6.271 -11.290 265 H ALA 24 H ALA 24 2.024 7.378 -9.930 266 HA ALA 24 HA ALA 24 0.637 7.387 -7.424 267 HB1 ALA 24 HB1 ALA 24 2.103 9.898 -8.239 268 HB2 ALA 24 HB2 ALA 24 2.505 8.867 -6.866 269 HB3 ALA 24 HB3 ALA 24 0.976 9.748 -6.891 270 H SER 25 H SER 25 -1.451 7.716 -7.818 271 HA SER 25 HA SER 25 -2.187 9.093 -10.324 272 HB2 SER 25 HB2 SER 25 -2.786 6.518 -9.673 273 HB3 SER 25 HB3 SER 25 -4.209 7.356 -9.055 274 HG SER 25 HG SER 25 -3.957 6.633 -11.451 275 H GLU 26 H GLU 26 -4.063 10.451 -10.294 276 HA GLU 26 HA GLU 26 -4.256 12.075 -8.005 277 HB2 GLU 26 HB2 GLU 26 -6.248 11.962 -10.269 278 HB3 GLU 26 HB3 GLU 26 -5.886 13.311 -9.220 279 HG2 GLU 26 HG2 GLU 26 -3.885 12.133 -11.109 280 HG3 GLU 26 HG3 GLU 26 -4.955 13.468 -11.534 281 H ALA 27 H ALA 27 -6.095 12.503 -6.735 282 HA ALA 27 HA ALA 27 -7.224 10.076 -5.753 283 HB1 ALA 27 HB1 ALA 27 -7.959 11.464 -3.901 284 HB2 ALA 27 HB2 ALA 27 -7.506 12.911 -4.804 285 HB3 ALA 27 HB3 ALA 27 -6.250 11.751 -4.308 286 H ARG 28 H ARG 28 -9.113 9.237 -6.066 287 HA ARG 28 HA ARG 28 -11.265 10.814 -7.311 288 HB2 ARG 28 HB2 ARG 28 -10.372 9.613 -9.136 289 HB3 ARG 28 HB3 ARG 28 -10.088 8.175 -8.173 290 HG2 ARG 28 HG2 ARG 28 -12.769 8.308 -8.017 291 HG3 ARG 28 HG3 ARG 28 -12.515 9.070 -9.588 292 HD2 ARG 28 HD2 ARG 28 -11.490 7.158 -10.474 293 HD3 ARG 28 HD3 ARG 28 -11.199 6.467 -8.880 294 HE ARG 28 HE ARG 28 -13.933 6.763 -9.929 295 HH11 ARG 28 HH11 ARG 28 -11.373 4.766 -8.639 296 HH12 ARG 28 HH12 ARG 28 -12.385 3.374 -8.446 297 HH21 ARG 28 HH21 ARG 28 -15.266 4.929 -9.666 298 HH22 ARG 28 HH22 ARG 28 -14.591 3.465 -9.030 299 H GLN 29 H GLN 29 -13.411 9.790 -7.080 300 HA GLN 29 HA GLN 29 -13.756 8.685 -4.414 301 HB2 GLN 29 HB2 GLN 29 -15.640 9.853 -6.452 302 HB3 GLN 29 HB3 GLN 29 -16.224 9.032 -5.012 303 HG2 GLN 29 HG2 GLN 29 -14.871 10.639 -3.670 304 HG3 GLN 29 HG3 GLN 29 -14.577 11.535 -5.159 305 HE21 GLN 29 HE21 GLN 29 -15.971 12.333 -2.718 306 HE22 GLN 29 HE22 GLN 29 -17.562 12.799 -3.207 307 H ILE 30 H ILE 30 -14.687 6.723 -3.957 308 HA ILE 30 HA ILE 30 -15.300 4.976 -6.250 309 HB ILE 30 HB ILE 30 -14.486 3.065 -5.044 310 HG12 ILE 30 HG12 ILE 30 -13.740 4.864 -2.743 311 HG13 ILE 30 HG13 ILE 30 -15.266 3.987 -2.822 312 HG21 ILE 30 HG21 ILE 30 -12.552 5.371 -4.978 313 HG22 ILE 30 HG22 ILE 30 -12.706 4.109 -6.202 314 HG23 ILE 30 HG23 ILE 30 -12.067 3.712 -4.601 315 HD11 ILE 30 HD11 ILE 30 -14.210 1.914 -2.637 316 HD12 ILE 30 HD12 ILE 30 -13.340 2.947 -1.502 317 HD13 ILE 30 HD13 ILE 30 -12.637 2.575 -3.076 318 H GLN 31 H GLN 31 -16.865 3.222 -5.643 319 HA GLN 31 HA GLN 31 -18.865 4.228 -3.740 320 HB2 GLN 31 HB2 GLN 31 -19.177 2.858 -6.400 321 HB3 GLN 31 HB3 GLN 31 -20.471 2.827 -5.210 322 HG2 GLN 31 HG2 GLN 31 -20.552 5.261 -5.221 323 HG3 GLN 31 HG3 GLN 31 -19.239 5.303 -6.399 324 HE21 GLN 31 HE21 GLN 31 -19.644 4.727 -8.524 325 HE22 GLN 31 HE22 GLN 31 -21.243 4.572 -9.157 326 H THR 32 H THR 32 -18.954 3.041 -1.966 327 HA THR 32 HA THR 32 -18.454 0.142 -2.177 328 HB THR 32 HB THR 32 -17.752 0.140 0.131 329 HG1 THR 32 HG1 THR 32 -17.909 1.898 1.395 330 HG21 THR 32 HG21 THR 32 -16.466 1.876 -1.870 331 HG22 THR 32 HG22 THR 32 -15.827 0.479 -1.007 332 HG23 THR 32 HG23 THR 32 -15.879 2.061 -0.214 333 H LYS 33 H LYS 33 -19.376 -0.840 0.073 334 HA LYS 33 HA LYS 33 -22.235 -0.630 -0.242 335 HB2 LYS 33 HB2 LYS 33 -22.365 -2.575 1.169 336 HB3 LYS 33 HB3 LYS 33 -21.055 -2.822 0.023 337 HG2 LYS 33 HG2 LYS 33 -19.413 -2.336 1.695 338 HG3 LYS 33 HG3 LYS 33 -20.660 -1.858 2.846 339 HD2 LYS 33 HD2 LYS 33 -21.564 -4.233 2.586 340 HD3 LYS 33 HD3 LYS 33 -20.026 -4.603 1.803 341 HE2 LYS 33 HE2 LYS 33 -18.908 -3.637 3.864 342 HE3 LYS 33 HE3 LYS 33 -20.500 -3.667 4.622 343 HZ1 LYS 33 HZ1 LYS 33 -19.065 -6.022 3.518 344 HZ2 LYS 33 HZ2 LYS 33 -20.592 -6.053 4.247 345 HZ3 LYS 33 HZ3 LYS 33 -19.227 -5.646 5.159 346 H ASN 34 H ASN 34 -19.898 0.880 1.611 347 HA ASN 34 HA ASN 34 -21.782 1.451 3.805 348 HB2 ASN 34 HB2 ASN 34 -18.775 1.773 3.695 349 HB3 ASN 34 HB3 ASN 34 -19.783 2.260 5.054 350 HD21 ASN 34 HD21 ASN 34 -20.792 0.663 6.308 351 HD22 ASN 34 HD22 ASN 34 -20.223 -0.967 6.314 352 H GLY 35 H GLY 35 -21.157 2.702 0.952 353 HA2 GLY 35 HA2 GLY 35 -22.213 4.927 0.613 354 HA3 GLY 35 HA3 GLY 35 -21.196 5.494 1.929 355 H VAL 36 H VAL 36 -20.172 7.076 0.690 356 HA VAL 36 HA VAL 36 -18.383 5.988 -1.372 357 HB VAL 36 HB VAL 36 -19.991 7.326 -2.513 358 HG11 VAL 36 HG11 VAL 36 -20.389 9.686 -1.997 359 HG12 VAL 36 HG12 VAL 36 -19.289 9.577 -0.622 360 HG13 VAL 36 HG13 VAL 36 -20.794 8.658 -0.621 361 HG21 VAL 36 HG21 VAL 36 -17.440 8.905 -2.237 362 HG22 VAL 36 HG22 VAL 36 -18.584 8.995 -3.577 363 HG23 VAL 36 HG23 VAL 36 -17.685 7.505 -3.282 364 H ARG 37 H ARG 37 -16.343 6.353 -1.229 365 HA ARG 37 HA ARG 37 -15.230 8.255 0.709 366 HB2 ARG 37 HB2 ARG 37 -13.483 6.591 0.997 367 HB3 ARG 37 HB3 ARG 37 -14.946 6.408 1.893 368 HG2 ARG 37 HG2 ARG 37 -14.628 4.940 -0.693 369 HG3 ARG 37 HG3 ARG 37 -13.908 4.298 0.780 370 HD2 ARG 37 HD2 ARG 37 -16.605 5.160 1.263 371 HD3 ARG 37 HD3 ARG 37 -16.555 4.015 -0.072 372 HE ARG 37 HE ARG 37 -15.373 2.481 1.503 373 HH11 ARG 37 HH11 ARG 37 -17.376 5.064 2.769 374 HH12 ARG 37 HH12 ARG 37 -17.775 4.212 4.221 375 HH21 ARG 37 HH21 ARG 37 -15.922 1.359 3.411 376 HH22 ARG 37 HH22 ARG 37 -16.950 2.110 4.587 377 H THR 38 H THR 38 -12.847 8.639 0.303 378 HA THR 38 HA THR 38 -12.531 8.912 -2.618 379 HB THR 38 HB THR 38 -11.050 10.933 -1.878 380 HG1 THR 38 HG1 THR 38 -11.444 11.748 0.061 381 HG21 THR 38 HG21 THR 38 -14.058 11.111 -1.856 382 HG22 THR 38 HG22 THR 38 -13.025 11.151 -3.286 383 HG23 THR 38 HG23 THR 38 -12.950 12.459 -2.108 384 H ILE 39 H ILE 39 -11.005 7.623 -3.251 385 HA ILE 39 HA ILE 39 -8.576 7.479 -1.611 386 HB ILE 39 HB ILE 39 -8.422 5.076 -2.185 387 HG12 ILE 39 HG12 ILE 39 -11.316 4.991 -2.736 388 HG13 ILE 39 HG13 ILE 39 -10.310 5.602 -4.050 389 HG21 ILE 39 HG21 ILE 39 -9.306 4.747 -0.181 390 HG22 ILE 39 HG22 ILE 39 -10.931 4.978 -0.824 391 HG23 ILE 39 HG23 ILE 39 -10.002 6.361 -0.267 392 HD11 ILE 39 HD11 ILE 39 -8.906 3.430 -3.377 393 HD12 ILE 39 HD12 ILE 39 -10.228 3.397 -4.541 394 HD13 ILE 39 HD13 ILE 39 -10.511 2.909 -2.868 395 H SER 40 H SER 40 -6.901 6.175 -2.891 396 HA SER 40 HA SER 40 -6.992 6.532 -5.752 397 HB2 SER 40 HB2 SER 40 -6.269 8.770 -4.810 398 HB3 SER 40 HB3 SER 40 -4.824 7.943 -4.201 399 HG SER 40 HG SER 40 -5.286 8.873 -6.648 400 H GLU 41 H GLU 41 -4.892 5.790 -6.727 401 HA GLU 41 HA GLU 41 -3.715 3.730 -5.032 402 HB2 GLU 41 HB2 GLU 41 -5.377 3.097 -6.957 403 HB3 GLU 41 HB3 GLU 41 -3.999 3.411 -7.995 404 HG2 GLU 41 HG2 GLU 41 -3.076 1.735 -5.931 405 HG3 GLU 41 HG3 GLU 41 -4.632 1.086 -6.450 406 H ALA 42 H ALA 42 -1.548 3.473 -5.104 407 HA ALA 42 HA ALA 42 0.073 4.962 -7.035 408 HB1 ALA 42 HB1 ALA 42 -0.353 6.520 -5.178 409 HB2 ALA 42 HB2 ALA 42 1.350 6.080 -5.307 410 HB3 ALA 42 HB3 ALA 42 0.343 5.351 -4.054 411 H ILE 43 H ILE 43 1.845 3.819 -7.570 412 HA ILE 43 HA ILE 43 2.326 1.298 -6.235 413 HB ILE 43 HB ILE 43 3.734 2.458 -8.645 414 HG12 ILE 43 HG12 ILE 43 1.399 2.327 -9.180 415 HG13 ILE 43 HG13 ILE 43 2.193 0.954 -9.944 416 HG21 ILE 43 HG21 ILE 43 4.424 0.224 -9.142 417 HG22 ILE 43 HG22 ILE 43 3.473 -0.423 -7.806 418 HG23 ILE 43 HG23 ILE 43 4.884 0.581 -7.477 419 HD11 ILE 43 HD11 ILE 43 1.441 -0.442 -8.013 420 HD12 ILE 43 HD12 ILE 43 0.142 0.201 -9.020 421 HD13 ILE 43 HD13 ILE 43 0.502 0.948 -7.464 422 H VAL 44 H VAL 44 3.878 0.933 -4.824 423 HA VAL 44 HA VAL 44 6.295 2.577 -4.621 424 HB VAL 44 HB VAL 44 6.121 1.558 -2.017 425 HG11 VAL 44 HG11 VAL 44 5.188 4.024 -3.364 426 HG12 VAL 44 HG12 VAL 44 5.714 3.846 -1.683 427 HG13 VAL 44 HG13 VAL 44 4.008 3.542 -2.134 428 HG21 VAL 44 HG21 VAL 44 4.042 0.399 -2.841 429 HG22 VAL 44 HG22 VAL 44 3.353 2.020 -3.073 430 HG23 VAL 44 HG23 VAL 44 3.807 1.475 -1.451 431 H GLY 45 H GLY 45 7.942 1.499 -3.471 432 HA2 GLY 45 HA2 GLY 45 7.930 -1.130 -2.680 433 HA3 GLY 45 HA3 GLY 45 8.420 -1.195 -4.365 434 H ASP 46 H ASP 46 10.134 -2.185 -2.583 435 HA ASP 46 HA ASP 46 12.254 -0.146 -2.472 436 HB2 ASP 46 HB2 ASP 46 13.097 -1.261 -0.408 437 HB3 ASP 46 HB3 ASP 46 11.512 -0.527 -0.198 438 H GLU 47 H GLU 47 14.298 -1.810 -1.625 439 HA GLU 47 HA GLU 47 14.958 -3.141 -4.058 440 HB2 GLU 47 HB2 GLU 47 17.053 -3.788 -2.772 441 HB3 GLU 47 HB3 GLU 47 16.758 -2.069 -2.977 442 HG2 GLU 47 HG2 GLU 47 16.652 -1.726 -0.782 443 HG3 GLU 47 HG3 GLU 47 15.578 -3.103 -0.538 444 H THR 48 H THR 48 13.010 -4.132 -1.611 445 HA THR 48 HA THR 48 13.899 -6.931 -1.751 446 HB THR 48 HB THR 48 12.802 -7.336 0.257 447 HG1 THR 48 HG1 THR 48 10.975 -5.694 -0.689 448 HG21 THR 48 HG21 THR 48 14.730 -5.657 0.369 449 HG22 THR 48 HG22 THR 48 13.681 -5.787 1.781 450 HG23 THR 48 HG23 THR 48 13.483 -4.442 0.656 451 H GLY 49 H GLY 49 11.871 -4.991 -3.448 452 HA2 GLY 49 HA2 GLY 49 10.630 -6.648 -5.037 453 HA3 GLY 49 HA3 GLY 49 9.677 -6.914 -3.588 454 H ARG 50 H ARG 50 7.793 -6.145 -4.472 455 HA ARG 50 HA ARG 50 7.484 -3.302 -4.472 456 HB2 ARG 50 HB2 ARG 50 8.173 -3.649 -6.775 457 HB3 ARG 50 HB3 ARG 50 6.983 -4.932 -6.965 458 HG2 ARG 50 HG2 ARG 50 5.339 -3.004 -6.232 459 HG3 ARG 50 HG3 ARG 50 6.626 -2.004 -6.901 460 HD2 ARG 50 HD2 ARG 50 5.554 -4.353 -8.420 461 HD3 ARG 50 HD3 ARG 50 4.702 -2.813 -8.436 462 HE ARG 50 HE ARG 50 7.519 -2.764 -9.135 463 HH11 ARG 50 HH11 ARG 50 4.209 -2.733 -10.216 464 HH12 ARG 50 HH12 ARG 50 4.594 -2.136 -11.795 465 HH21 ARG 50 HH21 ARG 50 8.039 -1.978 -11.210 466 HH22 ARG 50 HH22 ARG 50 6.774 -1.707 -12.361 467 H VAL 51 H VAL 51 5.430 -2.724 -4.086 468 HA VAL 51 HA VAL 51 3.278 -4.650 -4.129 469 HB VAL 51 HB VAL 51 4.175 -5.062 -1.939 470 HG11 VAL 51 HG11 VAL 51 3.997 -2.085 -1.472 471 HG12 VAL 51 HG12 VAL 51 5.481 -3.023 -1.647 472 HG13 VAL 51 HG13 VAL 51 4.427 -3.291 -0.259 473 HG21 VAL 51 HG21 VAL 51 1.759 -3.292 -1.818 474 HG22 VAL 51 HG22 VAL 51 2.269 -4.396 -0.539 475 HG23 VAL 51 HG23 VAL 51 1.777 -5.028 -2.111 476 H LYS 52 H LYS 52 1.395 -3.714 -4.683 477 HA LYS 52 HA LYS 52 1.238 -0.980 -5.345 478 HB2 LYS 52 HB2 LYS 52 -1.201 -2.678 -4.919 479 HB3 LYS 52 HB3 LYS 52 -0.928 -1.428 -6.125 480 HG2 LYS 52 HG2 LYS 52 1.012 -3.447 -6.560 481 HG3 LYS 52 HG3 LYS 52 -0.540 -4.250 -6.341 482 HD2 LYS 52 HD2 LYS 52 -1.518 -3.041 -8.134 483 HD3 LYS 52 HD3 LYS 52 -0.153 -1.927 -8.217 484 HE2 LYS 52 HE2 LYS 52 -0.009 -3.500 -10.044 485 HE3 LYS 52 HE3 LYS 52 1.301 -3.815 -8.904 486 HZ1 LYS 52 HZ1 LYS 52 0.014 -5.647 -7.988 487 HZ2 LYS 52 HZ2 LYS 52 0.245 -5.862 -9.650 488 HZ3 LYS 52 HZ3 LYS 52 -1.252 -5.336 -9.066 489 H LEU 53 H LEU 53 0.664 0.768 -4.184 490 HA LEU 53 HA LEU 53 -0.285 0.381 -1.437 491 HB2 LEU 53 HB2 LEU 53 1.818 1.726 -2.058 492 HB3 LEU 53 HB3 LEU 53 0.714 2.960 -2.616 493 HG LEU 53 HG LEU 53 1.719 3.224 -0.283 494 HD11 LEU 53 HD11 LEU 53 -0.119 4.599 -1.030 495 HD12 LEU 53 HD12 LEU 53 -0.351 4.139 0.657 496 HD13 LEU 53 HD13 LEU 53 -1.274 3.331 -0.611 497 HD21 LEU 53 HD21 LEU 53 0.631 2.071 1.533 498 HD22 LEU 53 HD22 LEU 53 1.380 0.906 0.442 499 HD23 LEU 53 HD23 LEU 53 -0.366 1.162 0.399 500 H THR 54 H THR 54 -2.101 1.258 -0.704 501 HA THR 54 HA THR 54 -3.847 2.709 -2.544 502 HB THR 54 HB THR 54 -5.077 0.884 -0.510 503 HG1 THR 54 HG1 THR 54 -3.943 0.163 -3.019 504 HG21 THR 54 HG21 THR 54 -6.069 1.476 -3.258 505 HG22 THR 54 HG22 THR 54 -6.118 2.748 -2.045 506 HG23 THR 54 HG23 THR 54 -6.978 1.237 -1.766 507 H LEU 55 H LEU 55 -4.202 4.608 -1.762 508 HA LEU 55 HA LEU 55 -3.959 5.206 1.051 509 HB2 LEU 55 HB2 LEU 55 -4.721 7.140 -1.068 510 HB3 LEU 55 HB3 LEU 55 -3.766 7.409 0.363 511 HG LEU 55 HG LEU 55 -2.418 5.514 -1.303 512 HD11 LEU 55 HD11 LEU 55 -1.957 7.505 -3.013 513 HD12 LEU 55 HD12 LEU 55 -3.649 7.793 -2.635 514 HD13 LEU 55 HD13 LEU 55 -3.158 6.242 -3.289 515 HD21 LEU 55 HD21 LEU 55 -1.411 6.963 0.425 516 HD22 LEU 55 HD22 LEU 55 -1.701 8.352 -0.627 517 HD23 LEU 55 HD23 LEU 55 -0.607 7.070 -1.142 518 H TRP 56 H TRP 56 -5.665 6.261 2.255 519 HA TRP 56 HA TRP 56 -8.323 5.928 1.056 520 HB2 TRP 56 HB2 TRP 56 -7.307 4.813 3.634 521 HB3 TRP 56 HB3 TRP 56 -9.020 5.127 3.440 522 HD1 TRP 56 HD1 TRP 56 -6.230 2.794 2.287 523 HE1 TRP 56 HE1 TRP 56 -7.195 0.900 0.871 524 HE3 TRP 56 HE3 TRP 56 -11.110 4.421 1.913 525 HZ2 TRP 56 HZ2 TRP 56 -9.704 0.157 -0.218 526 HZ3 TRP 56 HZ3 TRP 56 -12.696 3.033 0.659 527 HH2 TRP 56 HH2 TRP 56 -12.012 0.954 -0.382 528 H GLY 57 H GLY 57 -9.469 7.615 1.050 529 HA2 GLY 57 HA2 GLY 57 -10.607 9.477 1.665 530 HA3 GLY 57 HA3 GLY 57 -9.976 9.314 3.274 531 H LYS 58 H LYS 58 -8.124 10.571 3.857 532 HA LYS 58 HA LYS 58 -7.651 12.815 2.078 533 HB2 LYS 58 HB2 LYS 58 -6.095 13.473 4.116 534 HB3 LYS 58 HB3 LYS 58 -7.835 13.698 4.170 535 HG2 LYS 58 HG2 LYS 58 -7.245 12.758 6.236 536 HG3 LYS 58 HG3 LYS 58 -7.952 11.436 5.307 537 HD2 LYS 58 HD2 LYS 58 -5.361 11.176 4.613 538 HD3 LYS 58 HD3 LYS 58 -5.180 11.839 6.238 539 HE2 LYS 58 HE2 LYS 58 -7.015 9.535 5.689 540 HE3 LYS 58 HE3 LYS 58 -5.287 9.289 5.940 541 HZ1 LYS 58 HZ1 LYS 58 -6.486 9.030 8.007 542 HZ2 LYS 58 HZ2 LYS 58 -7.175 10.567 7.852 543 HZ3 LYS 58 HZ3 LYS 58 -5.509 10.408 8.095 544 H HIS 59 H HIS 59 -5.983 9.926 2.955 545 HA HIS 59 HA HIS 59 -3.363 10.749 2.231 546 HB2 HIS 59 HB2 HIS 59 -4.720 8.105 2.669 547 HB3 HIS 59 HB3 HIS 59 -3.118 8.165 1.946 548 HD2 HIS 59 HD2 HIS 59 -4.370 7.485 5.304 549 HE1 HIS 59 HE1 HIS 59 -0.906 9.853 5.975 550 HE2 HIS 59 HE2 HIS 59 -2.601 8.287 6.983 551 H ALA 60 H ALA 60 -6.181 9.828 0.515 552 HA ALA 60 HA ALA 60 -5.159 8.756 -1.833 553 HB1 ALA 60 HB1 ALA 60 -7.266 8.925 -2.657 554 HB2 ALA 60 HB2 ALA 60 -7.489 10.568 -2.038 555 HB3 ALA 60 HB3 ALA 60 -7.621 9.187 -0.942 556 H GLY 61 H GLY 61 -3.937 9.553 -3.408 557 HA2 GLY 61 HA2 GLY 61 -2.806 11.031 -4.723 558 HA3 GLY 61 HA3 GLY 61 -4.218 12.022 -4.601 559 H SER 62 H SER 62 -3.006 11.489 -1.532 560 HA SER 62 HA SER 62 -2.066 14.223 -1.383 561 HB2 SER 62 HB2 SER 62 -3.423 13.578 0.446 562 HB3 SER 62 HB3 SER 62 -2.530 12.059 0.670 563 HG SER 62 HG SER 62 -1.007 13.100 1.732 564 H ILE 63 H ILE 63 -0.674 11.126 -1.777 565 HA ILE 63 HA ILE 63 1.856 11.715 -0.575 566 HB ILE 63 HB ILE 63 2.635 9.673 -1.914 567 HG12 ILE 63 HG12 ILE 63 0.055 8.538 -2.264 568 HG13 ILE 63 HG13 ILE 63 0.045 10.094 -3.082 569 HG21 ILE 63 HG21 ILE 63 1.579 8.152 -0.353 570 HG22 ILE 63 HG22 ILE 63 0.289 9.308 -0.026 571 HG23 ILE 63 HG23 ILE 63 1.942 9.666 0.474 572 HD11 ILE 63 HD11 ILE 63 0.710 8.396 -4.630 573 HD12 ILE 63 HD12 ILE 63 1.972 7.833 -3.534 574 HD13 ILE 63 HD13 ILE 63 2.100 9.426 -4.280 575 H LYS 64 H LYS 64 3.891 11.385 -1.965 576 HA LYS 64 HA LYS 64 3.728 13.297 -4.180 577 HB2 LYS 64 HB2 LYS 64 5.691 12.736 -2.061 578 HB3 LYS 64 HB3 LYS 64 6.386 13.013 -3.652 579 HG2 LYS 64 HG2 LYS 64 5.049 15.135 -3.758 580 HG3 LYS 64 HG3 LYS 64 4.646 14.873 -2.060 581 HD2 LYS 64 HD2 LYS 64 7.281 14.606 -1.871 582 HD3 LYS 64 HD3 LYS 64 7.235 15.624 -3.311 583 HE2 LYS 64 HE2 LYS 64 6.090 17.352 -2.161 584 HE3 LYS 64 HE3 LYS 64 5.754 16.307 -0.783 585 HZ1 LYS 64 HZ1 LYS 64 7.553 17.847 -0.312 586 HZ2 LYS 64 HZ2 LYS 64 8.446 17.245 -1.617 587 HZ3 LYS 64 HZ3 LYS 64 8.116 16.252 -0.289 588 H GLU 65 H GLU 65 5.904 12.862 -5.578 589 HA GLU 65 HA GLU 65 5.468 10.312 -6.874 590 HB2 GLU 65 HB2 GLU 65 6.374 12.942 -7.662 591 HB3 GLU 65 HB3 GLU 65 7.553 11.729 -8.136 592 HG2 GLU 65 HG2 GLU 65 6.045 10.622 -9.530 593 HG3 GLU 65 HG3 GLU 65 4.668 11.377 -8.718 594 H GLY 66 H GLY 66 7.890 9.647 -7.900 595 HA2 GLY 66 HA2 GLY 66 9.027 8.007 -6.077 596 HA3 GLY 66 HA3 GLY 66 9.940 8.717 -7.387 597 H GLN 67 H GLN 67 9.036 8.998 -4.031 598 HA GLN 67 HA GLN 67 11.501 10.446 -3.416 599 HB2 GLN 67 HB2 GLN 67 10.313 11.932 -1.886 600 HB3 GLN 67 HB3 GLN 67 9.683 12.139 -3.514 601 HG2 GLN 67 HG2 GLN 67 7.676 11.938 -2.610 602 HG3 GLN 67 HG3 GLN 67 8.033 10.217 -2.494 603 HE21 GLN 67 HE21 GLN 67 8.810 9.394 -0.515 604 HE22 GLN 67 HE22 GLN 67 8.485 10.208 0.974 605 H VAL 68 H VAL 68 12.003 10.209 -0.991 606 HA VAL 68 HA VAL 68 11.531 7.486 -0.288 607 HB VAL 68 HB VAL 68 12.986 9.484 1.414 608 HG11 VAL 68 HG11 VAL 68 12.869 6.575 1.056 609 HG12 VAL 68 HG12 VAL 68 12.780 7.506 2.548 610 HG13 VAL 68 HG13 VAL 68 14.333 7.280 1.739 611 HG21 VAL 68 HG21 VAL 68 15.018 8.902 0.240 612 HG22 VAL 68 HG22 VAL 68 13.845 9.688 -0.833 613 HG23 VAL 68 HG23 VAL 68 14.042 7.906 -0.867 614 H VAL 69 H VAL 69 9.778 6.913 0.773 615 HA VAL 69 HA VAL 69 8.663 8.762 2.779 616 HB VAL 69 HB VAL 69 6.658 6.907 2.170 617 HG11 VAL 69 HG11 VAL 69 5.401 8.813 1.461 618 HG12 VAL 69 HG12 VAL 69 6.874 9.737 1.167 619 HG13 VAL 69 HG13 VAL 69 6.429 9.289 2.814 620 HG21 VAL 69 HG21 VAL 69 8.345 7.226 -0.109 621 HG22 VAL 69 HG22 VAL 69 6.785 7.980 -0.437 622 HG23 VAL 69 HG23 VAL 69 6.862 6.286 0.049 623 H LYS 70 H LYS 70 7.136 7.390 4.305 624 HA LYS 70 HA LYS 70 8.399 4.849 4.994 625 HB2 LYS 70 HB2 LYS 70 9.455 6.766 6.297 626 HB3 LYS 70 HB3 LYS 70 7.896 6.966 7.085 627 HG2 LYS 70 HG2 LYS 70 8.450 4.259 7.334 628 HG3 LYS 70 HG3 LYS 70 10.000 5.059 7.608 629 HD2 LYS 70 HD2 LYS 70 8.797 6.577 9.224 630 HD3 LYS 70 HD3 LYS 70 7.404 5.505 9.069 631 HE2 LYS 70 HE2 LYS 70 8.799 3.622 9.823 632 HE3 LYS 70 HE3 LYS 70 10.157 4.729 10.026 633 HZ1 LYS 70 HZ1 LYS 70 9.036 4.314 12.122 634 HZ2 LYS 70 HZ2 LYS 70 7.573 4.876 11.485 635 HZ3 LYS 70 HZ3 LYS 70 8.873 5.939 11.679 636 H ILE 71 H ILE 71 6.726 3.508 4.819 637 HA ILE 71 HA ILE 71 4.038 4.322 5.408 638 HB ILE 71 HB ILE 71 5.106 1.552 4.864 639 HG12 ILE 71 HG12 ILE 71 5.444 3.384 3.092 640 HG13 ILE 71 HG13 ILE 71 4.656 1.887 2.583 641 HG21 ILE 71 HG21 ILE 71 2.329 2.680 5.028 642 HG22 ILE 71 HG22 ILE 71 3.006 1.291 5.881 643 HG23 ILE 71 HG23 ILE 71 2.683 1.192 4.149 644 HD11 ILE 71 HD11 ILE 71 3.648 4.008 1.704 645 HD12 ILE 71 HD12 ILE 71 3.188 4.406 3.360 646 HD13 ILE 71 HD13 ILE 71 2.517 2.974 2.578 647 H GLU 72 H GLU 72 2.727 3.677 7.170 648 HA GLU 72 HA GLU 72 4.202 2.553 9.390 649 HB2 GLU 72 HB2 GLU 72 3.121 5.022 9.286 650 HB3 GLU 72 HB3 GLU 72 1.781 4.157 9.944 651 HG2 GLU 72 HG2 GLU 72 4.256 3.474 11.256 652 HG3 GLU 72 HG3 GLU 72 3.948 5.209 11.315 653 H ASN 73 H ASN 73 2.407 1.975 11.018 654 HA ASN 73 HA ASN 73 1.311 -0.460 10.393 655 HB2 ASN 73 HB2 ASN 73 1.481 1.106 12.601 656 HB3 ASN 73 HB3 ASN 73 -0.210 1.168 12.216 657 HD21 ASN 73 HD21 ASN 73 -1.427 -0.457 13.060 658 HD22 ASN 73 HD22 ASN 73 -0.850 -1.963 13.641 659 H ALA 74 H ALA 74 0.144 -0.652 8.563 660 HA ALA 74 HA ALA 74 -2.500 0.653 8.569 661 HB1 ALA 74 HB1 ALA 74 -1.269 1.535 6.728 662 HB2 ALA 74 HB2 ALA 74 -2.418 0.366 6.077 663 HB3 ALA 74 HB3 ALA 74 -0.717 -0.069 6.253 664 H TRP 75 H TRP 75 -1.827 -1.674 6.141 665 HA TRP 75 HA TRP 75 -2.247 -4.104 7.460 666 HB2 TRP 75 HB2 TRP 75 -4.641 -4.474 6.822 667 HB3 TRP 75 HB3 TRP 75 -4.402 -3.323 8.132 668 HD1 TRP 75 HD1 TRP 75 -5.295 -3.379 4.377 669 HE1 TRP 75 HE1 TRP 75 -6.607 -1.272 3.855 670 HE3 TRP 75 HE3 TRP 75 -4.827 -0.971 8.834 671 HZ2 TRP 75 HZ2 TRP 75 -7.294 1.093 5.099 672 HZ3 TRP 75 HZ3 TRP 75 -5.850 1.260 9.072 673 HH2 TRP 75 HH2 TRP 75 -7.101 2.262 7.202 674 H THR 76 H THR 76 -3.165 -5.757 5.936 675 HA THR 76 HA THR 76 -2.457 -5.072 3.178 676 HB THR 76 HB THR 76 -1.603 -7.507 3.058 677 HG1 THR 76 HG1 THR 76 -0.556 -7.866 5.296 678 HG21 THR 76 HG21 THR 76 0.653 -6.759 3.935 679 HG22 THR 76 HG22 THR 76 -0.131 -5.247 4.390 680 HG23 THR 76 HG23 THR 76 -0.083 -5.744 2.696 681 H THR 77 H THR 77 -3.838 -5.716 1.727 682 HA THR 77 HA THR 77 -5.882 -7.691 2.481 683 HB THR 77 HB THR 77 -7.543 -6.419 1.244 684 HG1 THR 77 HG1 THR 77 -6.720 -5.260 -0.339 685 HG21 THR 77 HG21 THR 77 -7.182 -5.754 3.588 686 HG22 THR 77 HG22 THR 77 -7.650 -4.368 2.605 687 HG23 THR 77 HG23 THR 77 -5.965 -4.587 3.072 688 H ALA 78 H ALA 78 -6.089 -9.355 1.070 689 HA ALA 78 HA ALA 78 -4.277 -9.360 -1.210 690 HB1 ALA 78 HB1 ALA 78 -4.188 -11.211 0.370 691 HB2 ALA 78 HB2 ALA 78 -4.624 -11.766 -1.247 692 HB3 ALA 78 HB3 ALA 78 -5.863 -11.616 0.000 693 H PHE 79 H PHE 79 -5.100 -8.495 -3.020 694 HA PHE 79 HA PHE 79 -7.811 -9.138 -3.812 695 HB2 PHE 79 HB2 PHE 79 -6.619 -6.762 -3.851 696 HB3 PHE 79 HB3 PHE 79 -6.065 -7.354 -5.437 697 HD1 PHE 79 HD1 PHE 79 -9.039 -6.781 -3.369 698 HD2 PHE 79 HD2 PHE 79 -7.503 -7.409 -7.266 699 HE1 PHE 79 HE1 PHE 79 -11.234 -6.322 -4.294 700 HE2 PHE 79 HE2 PHE 79 -9.712 -6.926 -8.209 701 HZ PHE 79 HZ PHE 79 -11.599 -6.378 -6.725 702 H LYS 80 H LYS 80 -8.220 -10.628 -5.269 703 HA LYS 80 HA LYS 80 -8.017 -12.199 -6.872 704 HB2 LYS 80 HB2 LYS 80 -5.901 -10.359 -7.994 705 HB3 LYS 80 HB3 LYS 80 -6.715 -11.653 -8.870 706 HG2 LYS 80 HG2 LYS 80 -8.113 -9.289 -7.662 707 HG3 LYS 80 HG3 LYS 80 -7.573 -9.363 -9.337 708 HD2 LYS 80 HD2 LYS 80 -9.039 -11.258 -9.744 709 HD3 LYS 80 HD3 LYS 80 -9.521 -11.273 -8.044 710 HE2 LYS 80 HE2 LYS 80 -10.370 -8.942 -8.354 711 HE3 LYS 80 HE3 LYS 80 -10.057 -9.117 -10.079 712 HZ1 LYS 80 HZ1 LYS 80 -12.352 -9.594 -9.591 713 HZ2 LYS 80 HZ2 LYS 80 -11.913 -10.772 -8.460 714 HZ3 LYS 80 HZ3 LYS 80 -11.581 -11.012 -10.100 715 H GLY 81 H GLY 81 -6.016 -12.171 -4.472 716 HA2 GLY 81 HA2 GLY 81 -4.871 -14.194 -3.867 717 HA3 GLY 81 HA3 GLY 81 -4.451 -14.421 -5.555 718 H GLN 82 H GLN 82 -3.888 -11.283 -5.245 719 HA GLN 82 HA GLN 82 -1.095 -11.721 -4.437 720 HB2 GLN 82 HB2 GLN 82 -1.404 -9.123 -5.524 721 HB3 GLN 82 HB3 GLN 82 -0.517 -10.479 -6.200 722 HG2 GLN 82 HG2 GLN 82 -2.008 -10.757 -7.818 723 HG3 GLN 82 HG3 GLN 82 -3.362 -10.690 -6.693 724 HE21 GLN 82 HE21 GLN 82 -2.847 -8.098 -5.664 725 HE22 GLN 82 HE22 GLN 82 -3.202 -6.956 -6.909 726 H VAL 83 H VAL 83 -0.158 -10.465 -2.839 727 HA VAL 83 HA VAL 83 -1.996 -9.340 -0.958 728 HB VAL 83 HB VAL 83 0.999 -8.993 -0.829 729 HG11 VAL 83 HG11 VAL 83 0.176 -9.499 1.679 730 HG12 VAL 83 HG12 VAL 83 -1.263 -8.720 1.021 731 HG13 VAL 83 HG13 VAL 83 0.287 -7.883 0.985 732 HG21 VAL 83 HG21 VAL 83 0.566 -11.348 -1.321 733 HG22 VAL 83 HG22 VAL 83 -0.556 -11.425 0.036 734 HG23 VAL 83 HG23 VAL 83 1.159 -11.133 0.326 735 H GLN 84 H GLN 84 -2.043 -7.145 -0.216 736 HA GLN 84 HA GLN 84 -0.762 -5.158 -1.928 737 HB2 GLN 84 HB2 GLN 84 -3.321 -5.919 -2.502 738 HB3 GLN 84 HB3 GLN 84 -3.599 -4.567 -1.413 739 HG2 GLN 84 HG2 GLN 84 -2.373 -3.087 -2.827 740 HG3 GLN 84 HG3 GLN 84 -1.826 -4.425 -3.836 741 HE21 GLN 84 HE21 GLN 84 -4.439 -2.304 -3.045 742 HE22 GLN 84 HE22 GLN 84 -5.476 -2.744 -4.385 743 H LEU 85 H LEU 85 -0.915 -2.981 -1.033 744 HA LEU 85 HA LEU 85 -1.235 -3.038 1.896 745 HB2 LEU 85 HB2 LEU 85 1.069 -2.704 0.483 746 HB3 LEU 85 HB3 LEU 85 0.588 -1.043 0.762 747 HG LEU 85 HG LEU 85 0.330 -2.462 3.218 748 HD11 LEU 85 HD11 LEU 85 2.682 -3.097 3.561 749 HD12 LEU 85 HD12 LEU 85 2.996 -2.804 1.850 750 HD13 LEU 85 HD13 LEU 85 1.893 -4.092 2.336 751 HD21 LEU 85 HD21 LEU 85 2.060 -0.801 3.895 752 HD22 LEU 85 HD22 LEU 85 0.655 -0.107 3.081 753 HD23 LEU 85 HD23 LEU 85 2.174 -0.313 2.202 754 H ASN 86 H ASN 86 -2.039 -1.159 2.926 755 HA ASN 86 HA ASN 86 -3.149 0.927 1.138 756 HB2 ASN 86 HB2 ASN 86 -4.650 -0.284 3.468 757 HB3 ASN 86 HB3 ASN 86 -5.226 0.978 2.435 758 HD21 ASN 86 HD21 ASN 86 -3.847 -2.188 2.175 759 HD22 ASN 86 HD22 ASN 86 -4.930 -2.775 0.987 760 H ALA 87 H ALA 87 -3.946 2.837 2.454 761 HA ALA 87 HA ALA 87 -2.590 2.973 5.047 762 HB1 ALA 87 HB1 ALA 87 -2.336 5.143 2.974 763 HB2 ALA 87 HB2 ALA 87 -1.101 3.928 3.303 764 HB3 ALA 87 HB3 ALA 87 -1.558 5.081 4.555 765 H GLY 88 H GLY 88 -4.073 3.498 6.513 766 HA2 GLY 88 HA2 GLY 88 -6.168 5.405 5.758 767 HA3 GLY 88 HA3 GLY 88 -6.405 4.108 6.837 768 H SER 89 H SER 89 -6.730 4.776 8.827 769 HA SER 89 HA SER 89 -5.760 7.331 9.657 770 HB2 SER 89 HB2 SER 89 -7.364 5.237 11.134 771 HB3 SER 89 HB3 SER 89 -6.987 6.831 11.785 772 HG SER 89 HG SER 89 -9.069 6.380 10.511 773 H LYS 90 H LYS 90 -5.209 4.019 11.124 774 HA LYS 90 HA LYS 90 -3.336 5.100 12.994 775 HB2 LYS 90 HB2 LYS 90 -2.811 2.905 13.716 776 HB3 LYS 90 HB3 LYS 90 -4.516 2.879 13.372 777 HG2 LYS 90 HG2 LYS 90 -2.902 2.078 11.105 778 HG3 LYS 90 HG3 LYS 90 -2.673 1.072 12.531 779 HD2 LYS 90 HD2 LYS 90 -5.428 1.483 12.359 780 HD3 LYS 90 HD3 LYS 90 -4.890 1.174 10.707 781 HE2 LYS 90 HE2 LYS 90 -4.590 -0.971 11.130 782 HE3 LYS 90 HE3 LYS 90 -3.587 -0.609 12.534 783 HZ1 LYS 90 HZ1 LYS 90 -5.689 -0.259 13.800 784 HZ2 LYS 90 HZ2 LYS 90 -5.453 -1.854 13.284 785 HZ3 LYS 90 HZ3 LYS 90 -6.545 -0.853 12.465 786 H THR 91 H THR 91 -3.127 4.759 9.784 787 HA THR 91 HA THR 91 -0.273 4.142 9.665 788 HB THR 91 HB THR 91 -1.968 4.997 7.317 789 HG1 THR 91 HG1 THR 91 -2.055 2.502 8.664 790 HG21 THR 91 HG21 THR 91 0.275 2.998 7.626 791 HG22 THR 91 HG22 THR 91 0.405 4.614 6.932 792 HG23 THR 91 HG23 THR 91 -0.555 3.380 6.118 793 H LYS 92 H LYS 92 1.201 5.803 9.598 794 HA LYS 92 HA LYS 92 0.256 8.498 8.852 795 HB2 LYS 92 HB2 LYS 92 1.699 7.591 11.219 796 HB3 LYS 92 HB3 LYS 92 2.581 8.845 10.363 797 HG2 LYS 92 HG2 LYS 92 1.283 9.979 11.944 798 HG3 LYS 92 HG3 LYS 92 0.423 10.190 10.418 799 HD2 LYS 92 HD2 LYS 92 -1.093 8.361 11.027 800 HD3 LYS 92 HD3 LYS 92 -0.230 8.154 12.551 801 HE2 LYS 92 HE2 LYS 92 -0.819 10.507 13.127 802 HE3 LYS 92 HE3 LYS 92 -1.801 10.570 11.664 803 HZ1 LYS 92 HZ1 LYS 92 -3.139 10.059 13.610 804 HZ2 LYS 92 HZ2 LYS 92 -2.200 8.690 13.929 805 HZ3 LYS 92 HZ3 LYS 92 -3.145 8.758 12.527 806 H ILE 93 H ILE 93 1.063 8.975 6.858 807 HA ILE 93 HA ILE 93 3.615 7.744 6.105 808 HB ILE 93 HB ILE 93 1.940 9.400 4.246 809 HG12 ILE 93 HG12 ILE 93 1.547 6.445 4.797 810 HG13 ILE 93 HG13 ILE 93 0.451 7.718 5.317 811 HG21 ILE 93 HG21 ILE 93 4.183 8.758 3.534 812 HG22 ILE 93 HG22 ILE 93 2.950 7.954 2.554 813 HG23 ILE 93 HG23 ILE 93 3.792 7.058 3.818 814 HD11 ILE 93 HD11 ILE 93 1.068 6.886 2.499 815 HD12 ILE 93 HD12 ILE 93 0.134 8.320 2.926 816 HD13 ILE 93 HD13 ILE 93 -0.455 6.720 3.373 817 H ALA 94 H ALA 94 5.416 8.881 5.545 818 HA ALA 94 HA ALA 94 5.467 11.765 5.187 819 HB1 ALA 94 HB1 ALA 94 6.856 12.245 7.081 820 HB2 ALA 94 HB2 ALA 94 6.560 10.622 7.768 821 HB3 ALA 94 HB3 ALA 94 5.225 11.779 7.617 822 H GLU 95 H GLU 95 7.429 12.590 4.470 823 HA GLU 95 HA GLU 95 9.078 10.811 3.052 824 HB2 GLU 95 HB2 GLU 95 9.915 13.628 3.727 825 HB3 GLU 95 HB3 GLU 95 10.094 12.615 2.468 826 HG2 GLU 95 HG2 GLU 95 8.676 13.701 1.423 827 HG3 GLU 95 HG3 GLU 95 7.541 12.737 2.203 828 H ALA 96 H ALA 96 10.929 9.928 3.484 829 HA ALA 96 HA ALA 96 12.180 10.438 6.121 830 HB1 ALA 96 HB1 ALA 96 12.532 8.156 6.542 831 HB2 ALA 96 HB2 ALA 96 12.172 7.714 4.866 832 HB3 ALA 96 HB3 ALA 96 10.871 8.245 5.944 833 H SER 97 H SER 97 14.370 10.622 6.151 834 HA SER 97 HA SER 97 15.741 10.372 3.558 835 HB2 SER 97 HB2 SER 97 17.415 11.960 4.601 836 HB3 SER 97 HB3 SER 97 15.847 12.615 4.245 837 HG SER 97 HG SER 97 16.094 11.509 6.759 838 H GLU 98 H GLU 98 17.249 8.857 3.352 839 HA GLU 98 HA GLU 98 18.576 7.848 5.778 840 HB2 GLU 98 HB2 GLU 98 17.491 6.216 3.475 841 HB3 GLU 98 HB3 GLU 98 18.503 5.559 4.729 842 HG2 GLU 98 HG2 GLU 98 16.157 6.953 5.703 843 HG3 GLU 98 HG3 GLU 98 15.867 5.464 4.804 844 H ASP 99 H ASP 99 20.188 5.944 4.267 845 HA ASP 99 HA ASP 99 22.206 7.689 3.353 846 HB2 ASP 99 HB2 ASP 99 21.959 4.717 3.707 847 HB3 ASP 99 HB3 ASP 99 23.333 5.398 2.840 848 H GLY 100 H GLY 100 19.574 7.318 1.818 849 HA2 GLY 100 HA2 GLY 100 19.366 7.775 -0.502 850 HA3 GLY 100 HA3 GLY 100 20.889 6.954 -0.806 851 H PHE 101 H PHE 101 17.475 6.487 -0.093 852 HA PHE 101 HA PHE 101 17.404 3.688 -0.240 853 HB2 PHE 101 HB2 PHE 101 15.549 5.745 0.127 854 HB3 PHE 101 HB3 PHE 101 15.014 4.922 -1.334 855 HD1 PHE 101 HD2 PHE 101 16.171 4.138 2.129 856 HD2 PHE 101 HD1 PHE 101 13.615 3.115 -1.115 857 HE1 PHE 101 HE2 PHE 101 15.158 2.369 3.493 858 HE2 PHE 101 HE1 PHE 101 12.577 1.376 0.207 859 HZ PHE 101 HZ PHE 101 13.362 0.972 2.558 860 HA PRO 102 HA PRO 102 18.166 2.592 -4.451 861 HB2 PRO 102 HB2 PRO 102 15.701 0.928 -4.210 862 HB3 PRO 102 HB3 PRO 102 17.322 0.469 -4.756 863 HG2 PRO 102 HG2 PRO 102 16.488 -0.236 -2.343 864 HG3 PRO 102 HG3 PRO 102 18.161 0.298 -2.605 865 HD2 PRO 102 HD2 PRO 102 15.880 1.761 -1.359 866 HD3 PRO 102 HD3 PRO 102 17.617 1.802 -0.958 867 H GLU 103 H GLU 103 17.543 3.236 -6.463 868 HA GLU 103 HA GLU 103 15.401 5.119 -6.662 869 HB2 GLU 103 HB2 GLU 103 17.712 4.936 -7.954 870 HB3 GLU 103 HB3 GLU 103 16.734 4.022 -9.094 871 HG2 GLU 103 HG2 GLU 103 15.318 5.870 -9.505 872 HG3 GLU 103 HG3 GLU 103 15.985 6.771 -8.144 873 H SER 104 H SER 104 13.709 5.010 -8.322 874 HA SER 104 HA SER 104 12.161 2.667 -8.073 875 HB2 SER 104 HB2 SER 104 11.739 4.738 -10.222 876 HB3 SER 104 HB3 SER 104 10.529 3.774 -9.374 877 HG SER 104 HG SER 104 12.126 5.841 -8.259 878 H SER 105 H SER 105 14.504 3.694 -10.419 879 HA SER 105 HA SER 105 13.706 1.761 -12.409 880 HB2 SER 105 HB2 SER 105 15.352 4.077 -12.350 881 HB3 SER 105 HB3 SER 105 16.358 2.724 -12.869 882 HG SER 105 HG SER 105 15.188 2.510 -14.644 883 H GLN 106 H GLN 106 15.291 1.540 -9.519 884 HA GLN 106 HA GLN 106 16.759 -0.860 -10.396 885 HB2 GLN 106 HB2 GLN 106 17.546 0.920 -8.097 886 HB3 GLN 106 HB3 GLN 106 18.450 -0.411 -8.737 887 HG2 GLN 106 HG2 GLN 106 18.495 0.965 -10.929 888 HG3 GLN 106 HG3 GLN 106 17.990 2.303 -9.900 889 HE21 GLN 106 HE21 GLN 106 20.274 -0.364 -9.412 890 HE22 GLN 106 HE22 GLN 106 21.634 0.637 -9.049 891 H ILE 107 H ILE 107 14.053 -0.040 -9.012 892 HA ILE 107 HA ILE 107 14.250 -1.703 -6.621 893 HB ILE 107 HB ILE 107 12.264 0.284 -7.627 894 HG12 ILE 107 HG12 ILE 107 13.130 -0.211 -4.792 895 HG13 ILE 107 HG13 ILE 107 14.180 0.642 -5.918 896 HG21 ILE 107 HG21 ILE 107 10.566 -0.447 -6.054 897 HG22 ILE 107 HG22 ILE 107 11.571 -1.823 -5.570 898 HG23 ILE 107 HG23 ILE 107 10.916 -1.730 -7.212 899 HD11 ILE 107 HD11 ILE 107 11.488 1.688 -5.918 900 HD12 ILE 107 HD12 ILE 107 13.044 2.504 -5.730 901 HD13 ILE 107 HD13 ILE 107 12.255 1.751 -4.323 902 HA PRO 108 HA PRO 108 12.913 -5.314 -8.933 903 HB2 PRO 108 HB2 PRO 108 12.092 -6.153 -6.193 904 HB3 PRO 108 HB3 PRO 108 13.057 -7.022 -7.394 905 HG2 PRO 108 HG2 PRO 108 14.238 -5.921 -5.297 906 HG3 PRO 108 HG3 PRO 108 14.993 -5.853 -6.903 907 HD2 PRO 108 HD2 PRO 108 13.558 -3.711 -5.404 908 HD3 PRO 108 HD3 PRO 108 14.982 -3.596 -6.459 909 H GLU 109 H GLU 109 10.914 -6.546 -9.199 910 HA GLU 109 HA GLU 109 8.532 -4.977 -8.455 911 HB2 GLU 109 HB2 GLU 109 7.548 -5.874 -10.628 912 HB3 GLU 109 HB3 GLU 109 8.795 -4.644 -10.782 913 HG2 GLU 109 HG2 GLU 109 10.420 -6.251 -11.416 914 HG3 GLU 109 HG3 GLU 109 9.353 -7.589 -10.992 915 H ASN 110 H ASN 110 10.018 -7.598 -7.557 916 HA ASN 110 HA ASN 110 8.370 -9.794 -7.945 917 HB2 ASN 110 HB2 ASN 110 10.671 -9.435 -6.627 918 HB3 ASN 110 HB3 ASN 110 9.576 -9.444 -5.248 919 HD21 ASN 110 HD21 ASN 110 11.346 -11.318 -7.376 920 HD22 ASN 110 HD22 ASN 110 10.652 -12.856 -7.008 921 H THR 111 H THR 111 6.349 -10.222 -7.390 922 HA THR 111 HA THR 111 4.955 -8.468 -5.544 923 HB THR 111 HB THR 111 3.234 -10.541 -6.442 924 HG1 THR 111 HG1 THR 111 4.995 -9.530 -8.430 925 HG21 THR 111 HG21 THR 111 2.665 -8.163 -5.981 926 HG22 THR 111 HG22 THR 111 2.065 -8.732 -7.540 927 HG23 THR 111 HG23 THR 111 3.501 -7.713 -7.467 928 HA PRO 112 HA PRO 112 5.794 -11.380 -2.201 929 HB2 PRO 112 HB2 PRO 112 3.781 -9.661 -0.854 930 HB3 PRO 112 HB3 PRO 112 5.398 -10.143 -0.317 931 HG2 PRO 112 HG2 PRO 112 4.979 -7.678 -1.190 932 HG3 PRO 112 HG3 PRO 112 6.467 -8.551 -1.614 933 HD2 PRO 112 HD2 PRO 112 4.042 -8.047 -3.285 934 HD3 PRO 112 HD3 PRO 112 5.760 -8.005 -3.739 935 H THR 113 H THR 113 4.767 -13.219 -1.584 936 HA THR 113 HA THR 113 1.870 -13.392 -1.582 937 HB THR 113 HB THR 113 2.941 -15.666 -3.048 938 HG1 THR 113 HG1 THR 113 3.113 -14.318 -5.034 939 HG21 THR 113 HG21 THR 113 0.556 -15.162 -2.813 940 HG22 THR 113 HG22 THR 113 1.037 -15.185 -4.510 941 HG23 THR 113 HG23 THR 113 0.787 -13.647 -3.685 942 H ALA 114 H ALA 114 1.267 -14.554 0.121 943 HA ALA 114 HA ALA 114 3.120 -15.861 1.804 944 HB1 ALA 114 HB1 ALA 114 1.176 -16.557 3.101 945 HB2 ALA 114 HB2 ALA 114 0.112 -16.080 1.778 946 HB3 ALA 114 HB3 ALA 114 1.050 -14.861 2.638 947 H ARG 115 H ARG 115 2.911 -18.153 2.520 948 HA ARG 115 HA ARG 115 2.943 -19.878 0.187 949 HB2 ARG 115 HB2 ARG 115 3.760 -21.596 1.839 950 HB3 ARG 115 HB3 ARG 115 4.781 -20.174 1.674 951 HG2 ARG 115 HG2 ARG 115 3.702 -19.248 3.719 952 HG3 ARG 115 HG3 ARG 115 2.864 -20.789 3.910 953 HD2 ARG 115 HD2 ARG 115 4.919 -20.615 5.279 954 HD3 ARG 115 HD3 ARG 115 4.954 -21.955 4.135 955 HE ARG 115 HE ARG 115 6.296 -19.399 3.555 956 HH11 ARG 115 HH11 ARG 115 6.344 -22.872 3.862 957 HH12 ARG 115 HH12 ARG 115 7.938 -23.036 3.210 958 HH21 ARG 115 HH21 ARG 115 8.397 -19.608 2.692 959 HH22 ARG 115 HH22 ARG 115 9.108 -21.181 2.545 960 H ARG 116 H ARG 116 1.578 -21.562 -0.211 961 HA ARG 116 HA ARG 116 -0.788 -21.759 1.535 962 HB2 ARG 116 HB2 ARG 116 -0.473 -22.038 -1.446 963 HB3 ARG 116 HB3 ARG 116 -1.869 -22.698 -0.606 964 HG2 ARG 116 HG2 ARG 116 -2.349 -20.429 0.274 965 HG3 ARG 116 HG3 ARG 116 -1.026 -19.813 -0.718 966 HD2 ARG 116 HD2 ARG 116 -2.870 -21.466 -2.234 967 HD3 ARG 116 HD3 ARG 116 -3.672 -20.086 -1.483 968 HE ARG 116 HE ARG 116 -1.839 -20.029 -3.673 969 HH11 ARG 116 HH11 ARG 116 -3.032 -18.213 -0.950 970 HH12 ARG 116 HH12 ARG 116 -2.641 -16.673 -1.640 971 HH21 ARG 116 HH21 ARG 116 -1.321 -18.008 -4.592 972 HH22 ARG 116 HH22 ARG 116 -1.669 -16.557 -3.712 973 H ARG 117 H ARG 117 -1.677 -23.810 1.950 974 HA ARG 117 HA ARG 117 0.276 -25.920 2.083 975 HB2 ARG 117 HB2 ARG 117 -2.641 -26.131 2.817 976 HB3 ARG 117 HB3 ARG 117 -1.299 -27.089 3.428 977 HG2 ARG 117 HG2 ARG 117 -0.418 -25.147 4.592 978 HG3 ARG 117 HG3 ARG 117 -1.724 -24.152 3.945 979 HD2 ARG 117 HD2 ARG 117 -2.454 -26.622 5.426 980 HD3 ARG 117 HD3 ARG 117 -1.850 -25.251 6.356 981 HE ARG 117 HE ARG 117 -3.814 -24.300 4.626 982 HH11 ARG 117 HH11 ARG 117 -3.553 -26.448 7.360 983 HH12 ARG 117 HH12 ARG 117 -5.168 -26.152 7.910 984 HH21 ARG 117 HH21 ARG 117 -5.941 -23.904 5.345 985 HH22 ARG 117 HH22 ARG 117 -6.525 -24.706 6.764 Start of MODEL 4 1 H5' DT 1 H5' DT 1 -14.358 6.139 6.810 2 H5'' DT 1 H5'' DT 1 -16.102 5.815 6.863 3 H4' DT 1 H4' DT 1 -14.222 6.141 9.197 4 H3' DT 1 H3' DT 1 -15.454 3.736 7.934 5 H2' DT 1 H2' DT 1 -16.023 2.800 10.073 6 H2'' DT 1 H2'' DT 1 -14.984 3.920 10.944 7 H1' DT 1 H1' DT 1 -17.047 5.086 11.190 8 H3 DT 1 H3 DT 1 -21.122 5.226 9.063 9 H71 DT 1 H71 DT 1 -18.625 0.802 7.684 10 H72 DT 1 H72 DT 1 -20.100 1.362 6.860 11 H73 DT 1 H73 DT 1 -18.501 1.830 6.236 12 H6 DT 1 H6 DT 1 -17.089 2.731 8.562 13 HO5' DT 1 HO5' DT 1 -16.036 7.957 6.659 14 H5' DT 2 H5' DT 2 -13.276 -0.341 8.098 15 H5'' DT 2 H5'' DT 2 -11.922 0.734 8.505 16 H4' DT 2 H4' DT 2 -12.554 0.643 5.644 17 H3' DT 2 H3' DT 2 -11.975 -1.938 7.044 18 H2' DT 2 H2' DT 2 -10.346 -2.514 5.380 19 H2'' DT 2 H2'' DT 2 -10.918 -1.285 4.263 20 H1' DT 2 H1' DT 2 -9.158 -0.017 5.203 21 H3 DT 2 H3 DT 2 -7.892 -0.660 10.031 22 H71 DT 2 H71 DT 2 -7.929 -5.023 7.727 23 H72 DT 2 H72 DT 2 -6.249 -4.515 8.029 24 H73 DT 2 H73 DT 2 -6.909 -4.467 6.377 25 H6 DT 2 H6 DT 2 -8.425 -2.677 5.755 26 H5' DT 3 H5' DT 3 -14.981 -4.585 2.447 27 H5'' DT 3 H5'' DT 3 -13.323 -4.664 3.079 28 H4' DT 3 H4' DT 3 -14.381 -3.179 0.867 29 H3' DT 3 H3' DT 3 -11.924 -4.376 1.511 30 H2' DT 3 H2' DT 3 -10.974 -2.430 2.527 31 H2'' DT 3 H2'' DT 3 -10.601 -2.090 0.842 32 H1' DT 3 H1' DT 3 -12.722 -0.876 0.544 33 H3 DT 3 H3 DT 3 -13.439 2.863 3.191 34 H71 DT 3 H71 DT 3 -9.380 1.548 5.326 35 H72 DT 3 H72 DT 3 -8.790 2.549 3.979 36 H73 DT 3 H73 DT 3 -8.531 0.790 3.956 37 H6 DT 3 H6 DT 3 -10.068 -0.467 2.707 38 H5' DT 4 H5' DT 4 -14.835 -2.473 -3.244 39 H5'' DT 4 H5'' DT 4 -13.828 -3.140 -4.543 40 H4' DT 4 H4' DT 4 -13.619 -0.639 -3.333 41 H3' DT 4 H3' DT 4 -12.142 -2.100 -5.424 42 H2' DT 4 H2' DT 4 -10.029 -1.337 -4.801 43 H2'' DT 4 H2'' DT 4 -10.648 0.301 -4.616 44 H1' DT 4 H1' DT 4 -10.959 0.126 -2.366 45 H3 DT 4 H3 DT 4 -6.416 -1.436 -2.302 46 H71 DT 4 H71 DT 4 -8.194 -4.975 0.146 47 H72 DT 4 H72 DT 4 -8.844 -3.787 1.299 48 H73 DT 4 H73 DT 4 -9.941 -4.640 0.187 49 H6 DT 4 H6 DT 4 -10.805 -2.788 -1.024 50 H5' DT 5 H5' DT 5 -12.874 -0.965 -9.345 51 H5'' DT 5 H5'' DT 5 -13.115 -2.472 -8.436 52 H4' DT 5 H4' DT 5 -11.211 -1.825 -10.514 53 H3' DT 5 H3' DT 5 -12.770 -3.980 -10.054 54 H2' DT 5 H2' DT 5 -11.635 -4.799 -8.104 55 H2'' DT 5 H2'' DT 5 -10.809 -5.694 -9.371 56 H1' DT 5 H1' DT 5 -8.980 -4.120 -9.465 57 H3 DT 5 H3 DT 5 -6.361 -4.702 -5.909 58 H71 DT 5 H71 DT 5 -10.405 -3.043 -3.467 59 H72 DT 5 H72 DT 5 -9.937 -4.693 -2.995 60 H73 DT 5 H73 DT 5 -11.359 -4.435 -4.035 61 H6 DT 5 H6 DT 5 -11.026 -3.854 -6.381 62 H5' DT 6 H5' DT 6 -8.776 -4.607 -12.718 63 H5'' DT 6 H5'' DT 6 -8.660 -6.200 -13.492 64 H4' DT 6 H4' DT 6 -7.138 -5.058 -11.199 65 H3' DT 6 H3' DT 6 -6.434 -6.430 -13.758 66 HO3' DT 6 HO3' DT 6 -5.984 -4.121 -12.437 67 H2' DT 6 H2' DT 6 -4.554 -7.512 -12.734 68 H2'' DT 6 H2'' DT 6 -4.583 -6.447 -11.335 69 H1' DT 6 H1' DT 6 -5.806 -8.212 -10.369 70 H3 DT 6 H3 DT 6 -5.483 -12.113 -12.707 71 H71 DT 6 H71 DT 6 -9.195 -9.568 -15.249 72 H72 DT 6 H72 DT 6 -10.148 -9.984 -13.803 73 H73 DT 6 H73 DT 6 -9.446 -11.274 -14.808 74 H6 DT 6 H6 DT 6 -8.309 -8.274 -12.913 75 H1 MET 1 H MET 1 11.744 -2.401 14.787 76 H1 MET 1 HT1 MET 1 11.355 -1.334 13.533 77 H2 MET 1 H2 MET 1 11.889 -2.899 13.177 78 HA MET 1 HA MET 1 9.927 -3.856 14.142 79 HB2 MET 1 HB2 MET 1 9.224 -0.969 14.695 80 HB3 MET 1 HB3 MET 1 8.067 -2.290 14.793 81 HG2 MET 1 HG2 MET 1 10.195 -3.143 16.343 82 HG3 MET 1 HG3 MET 1 10.058 -1.422 16.700 83 HE1 MET 1 HE1 MET 1 9.729 -3.121 19.111 84 HE2 MET 1 HE2 MET 1 9.284 -4.561 18.193 85 HE3 MET 1 HE3 MET 1 8.185 -3.918 19.414 86 H GLU 2 H GLU 2 11.066 -2.474 11.628 87 HA GLU 2 HA GLU 2 8.535 -2.433 10.125 88 HB2 GLU 2 HB2 GLU 2 9.982 -1.069 8.440 89 HB3 GLU 2 HB3 GLU 2 9.309 -0.266 9.853 90 HG2 GLU 2 HG2 GLU 2 11.889 -1.370 10.467 91 HG3 GLU 2 HG3 GLU 2 11.979 -0.341 9.039 92 H GLU 3 H GLU 3 8.292 -3.897 8.564 93 HA GLU 3 HA GLU 3 10.561 -5.634 7.952 94 HB2 GLU 3 HB2 GLU 3 9.012 -7.268 7.277 95 HB3 GLU 3 HB3 GLU 3 8.286 -6.517 8.691 96 HG2 GLU 3 HG2 GLU 3 7.122 -5.003 6.887 97 HG3 GLU 3 HG3 GLU 3 7.473 -6.373 5.836 98 H LYS 4 H LYS 4 10.521 -6.559 5.632 99 HA LYS 4 HA LYS 4 10.585 -4.209 3.804 100 HB2 LYS 4 HB2 LYS 4 11.820 -5.963 2.348 101 HB3 LYS 4 HB3 LYS 4 12.653 -5.219 3.705 102 HG2 LYS 4 HG2 LYS 4 11.215 -7.751 4.221 103 HG3 LYS 4 HG3 LYS 4 12.690 -7.833 3.257 104 HD2 LYS 4 HD2 LYS 4 12.844 -6.194 5.705 105 HD3 LYS 4 HD3 LYS 4 12.640 -7.929 5.957 106 HE2 LYS 4 HE2 LYS 4 14.558 -7.932 4.057 107 HE3 LYS 4 HE3 LYS 4 14.934 -6.422 4.885 108 HZ1 LYS 4 HZ1 LYS 4 14.681 -9.085 6.176 109 HZ2 LYS 4 HZ2 LYS 4 15.044 -7.637 6.971 110 HZ3 LYS 4 HZ3 LYS 4 16.133 -8.279 5.848 111 H VAL 5 H VAL 5 10.150 -4.864 1.444 112 HA VAL 5 HA VAL 5 7.417 -5.677 1.281 113 HB VAL 5 HB VAL 5 9.401 -5.148 -0.940 114 HG11 VAL 5 HG11 VAL 5 7.572 -6.420 -1.810 115 HG12 VAL 5 HG12 VAL 5 7.349 -4.737 -2.295 116 HG13 VAL 5 HG13 VAL 5 6.401 -5.405 -0.967 117 HG21 VAL 5 HG21 VAL 5 7.346 -3.329 0.315 118 HG22 VAL 5 HG22 VAL 5 8.374 -2.934 -1.063 119 HG23 VAL 5 HG23 VAL 5 9.093 -3.216 0.523 120 H GLY 6 H GLY 6 10.515 -7.169 0.508 121 HA2 GLY 6 HA2 GLY 6 9.345 -9.450 -0.790 122 HA3 GLY 6 HA3 GLY 6 11.028 -9.263 -0.325 123 H ASN 7 H ASN 7 9.174 -8.589 2.338 124 HA ASN 7 HA ASN 7 9.175 -11.391 3.234 125 HB2 ASN 7 HB2 ASN 7 11.044 -9.760 4.093 126 HB3 ASN 7 HB3 ASN 7 9.767 -9.178 5.154 127 HD21 ASN 7 HD21 ASN 7 10.274 -9.951 7.075 128 HD22 ASN 7 HD22 ASN 7 10.606 -11.575 7.437 129 H LEU 8 H LEU 8 7.271 -8.829 2.560 130 HA LEU 8 HA LEU 8 5.579 -8.822 4.897 131 HB2 LEU 8 HB2 LEU 8 4.485 -7.084 3.928 132 HB3 LEU 8 HB3 LEU 8 5.977 -6.987 3.016 133 HG LEU 8 HG LEU 8 4.542 -8.675 1.444 134 HD11 LEU 8 HD11 LEU 8 2.405 -8.707 2.102 135 HD12 LEU 8 HD12 LEU 8 2.330 -7.026 1.462 136 HD13 LEU 8 HD13 LEU 8 2.658 -7.315 3.191 137 HD21 LEU 8 HD21 LEU 8 5.720 -6.815 0.567 138 HD22 LEU 8 HD22 LEU 8 4.680 -5.674 1.423 139 HD23 LEU 8 HD23 LEU 8 4.030 -6.630 0.092 140 H LYS 9 H LYS 9 3.381 -9.602 4.950 141 HA LYS 9 HA LYS 9 2.602 -11.492 2.935 142 HB2 LYS 9 HB2 LYS 9 2.062 -13.033 4.476 143 HB3 LYS 9 HB3 LYS 9 3.646 -12.561 4.834 144 HG2 LYS 9 HG2 LYS 9 3.026 -12.060 6.943 145 HG3 LYS 9 HG3 LYS 9 1.761 -11.034 6.309 146 HD2 LYS 9 HD2 LYS 9 0.413 -12.526 7.372 147 HD3 LYS 9 HD3 LYS 9 0.634 -13.431 5.874 148 HE2 LYS 9 HE2 LYS 9 1.420 -15.097 7.125 149 HE3 LYS 9 HE3 LYS 9 2.846 -14.101 7.404 150 HZ1 LYS 9 HZ1 LYS 9 1.777 -13.191 9.374 151 HZ2 LYS 9 HZ2 LYS 9 1.900 -14.875 9.480 152 HZ3 LYS 9 HZ3 LYS 9 0.414 -14.159 9.108 153 HA PRO 10 HA PRO 10 -1.291 -9.437 3.279 154 HB2 PRO 10 HB2 PRO 10 -2.989 -11.291 2.328 155 HB3 PRO 10 HB3 PRO 10 -1.824 -10.467 1.320 156 HG2 PRO 10 HG2 PRO 10 -1.694 -13.199 2.508 157 HG3 PRO 10 HG3 PRO 10 -1.198 -12.678 0.887 158 HD2 PRO 10 HD2 PRO 10 0.623 -13.006 2.949 159 HD3 PRO 10 HD3 PRO 10 0.830 -11.939 1.595 160 H ASN 11 H ASN 11 -3.446 -9.578 4.225 161 HA ASN 11 HA ASN 11 -4.965 -10.054 5.880 162 HB2 ASN 11 HB2 ASN 11 -3.596 -12.629 5.524 163 HB3 ASN 11 HB3 ASN 11 -4.329 -12.412 7.111 164 HD21 ASN 11 HD21 ASN 11 -4.939 -12.413 3.654 165 HD22 ASN 11 HD22 ASN 11 -6.650 -12.764 3.771 166 H MET 12 H MET 12 -2.322 -8.706 6.422 167 HA MET 12 HA MET 12 -2.127 -9.217 9.265 168 HB2 MET 12 HB2 MET 12 -0.284 -7.795 7.340 169 HB3 MET 12 HB3 MET 12 -0.058 -7.894 9.033 170 HG2 MET 12 HG2 MET 12 -0.362 -10.509 8.432 171 HG3 MET 12 HG3 MET 12 0.402 -9.856 6.992 172 HE1 MET 12 HE1 MET 12 2.855 -9.092 6.799 173 HE2 MET 12 HE2 MET 12 3.840 -8.631 8.207 174 HE3 MET 12 HE3 MET 12 2.387 -7.716 7.806 175 H GLU 13 H GLU 13 -2.974 -7.815 10.655 176 HA GLU 13 HA GLU 13 -4.162 -5.370 9.666 177 HB2 GLU 13 HB2 GLU 13 -4.129 -5.927 12.576 178 HB3 GLU 13 HB3 GLU 13 -5.445 -5.378 11.550 179 HG2 GLU 13 HG2 GLU 13 -5.230 -7.842 10.599 180 HG3 GLU 13 HG3 GLU 13 -4.566 -8.130 12.206 181 H SER 14 H SER 14 -1.141 -5.911 10.078 182 HA SER 14 HA SER 14 -0.524 -3.224 10.907 183 HB2 SER 14 HB2 SER 14 1.229 -4.188 12.588 184 HB3 SER 14 HB3 SER 14 -0.445 -4.011 13.105 185 HG SER 14 HG SER 14 0.771 -6.391 12.153 186 H VAL 15 H VAL 15 0.853 -2.590 9.386 187 HA VAL 15 HA VAL 15 3.091 -4.343 8.682 188 HB VAL 15 HB VAL 15 1.950 -2.857 6.399 189 HG11 VAL 15 HG11 VAL 15 2.618 -4.887 5.201 190 HG12 VAL 15 HG12 VAL 15 3.036 -5.651 6.734 191 HG13 VAL 15 HG13 VAL 15 3.938 -4.241 6.177 192 HG21 VAL 15 HG21 VAL 15 0.045 -4.039 6.059 193 HG22 VAL 15 HG22 VAL 15 0.064 -4.115 7.822 194 HG23 VAL 15 HG23 VAL 15 0.659 -5.477 6.872 195 H ASN 16 H ASN 16 4.814 -3.210 9.222 196 HA ASN 16 HA ASN 16 4.910 -0.324 8.687 197 HB2 ASN 16 HB2 ASN 16 5.585 -1.804 10.943 198 HB3 ASN 16 HB3 ASN 16 7.081 -1.234 10.236 199 HD21 ASN 16 HD21 ASN 16 6.698 1.152 9.367 200 HD22 ASN 16 HD22 ASN 16 6.087 2.214 10.609 201 H VAL 17 H VAL 17 6.232 0.414 7.105 202 HA VAL 17 HA VAL 17 8.625 -1.041 6.401 203 HB VAL 17 HB VAL 17 7.220 -2.426 5.200 204 HG11 VAL 17 HG11 VAL 17 5.279 -0.710 5.456 205 HG12 VAL 17 HG12 VAL 17 5.250 -1.888 4.122 206 HG13 VAL 17 HG13 VAL 17 5.759 -0.229 3.812 207 HG21 VAL 17 HG21 VAL 17 9.053 -1.763 3.786 208 HG22 VAL 17 HG22 VAL 17 8.210 -0.289 3.315 209 HG23 VAL 17 HG23 VAL 17 7.612 -1.857 2.773 210 H THR 18 H THR 18 9.972 0.057 4.931 211 HA THR 18 HA THR 18 9.258 2.867 4.423 212 HB THR 18 HB THR 18 12.130 2.205 4.416 213 HG1 THR 18 HG1 THR 18 12.136 2.286 6.790 214 HG21 THR 18 HG21 THR 18 10.358 4.449 5.016 215 HG22 THR 18 HG22 THR 18 12.030 4.448 4.417 216 HG23 THR 18 HG23 THR 18 11.699 4.293 6.154 217 H VAL 19 H VAL 19 9.371 3.507 2.277 218 HA VAL 19 HA VAL 19 10.862 2.016 0.387 219 HB VAL 19 HB VAL 19 8.961 1.604 -1.139 220 HG11 VAL 19 HG11 VAL 19 9.698 -0.216 0.147 221 HG12 VAL 19 HG12 VAL 19 7.897 -0.138 0.007 222 HG13 VAL 19 HG13 VAL 19 8.750 0.388 1.565 223 HG21 VAL 19 HG21 VAL 19 7.335 3.175 -0.505 224 HG22 VAL 19 HG22 VAL 19 7.387 2.676 1.183 225 HG23 VAL 19 HG23 VAL 19 6.659 1.617 -0.023 226 H ARG 20 H ARG 20 10.179 2.944 -1.915 227 HA ARG 20 HA ARG 20 10.021 5.821 -1.649 228 HB2 ARG 20 HB2 ARG 20 12.208 4.784 -2.405 229 HB3 ARG 20 HB3 ARG 20 11.421 4.373 -3.893 230 HG2 ARG 20 HG2 ARG 20 12.131 6.420 -4.597 231 HG3 ARG 20 HG3 ARG 20 10.888 7.094 -3.540 232 HD2 ARG 20 HD2 ARG 20 12.465 7.235 -1.715 233 HD3 ARG 20 HD3 ARG 20 13.706 6.448 -2.687 234 HE ARG 20 HE ARG 20 12.619 9.140 -3.201 235 HH11 ARG 20 HH11 ARG 20 15.176 6.776 -3.432 236 HH12 ARG 20 HH12 ARG 20 16.305 7.881 -4.141 237 HH21 ARG 20 HH21 ARG 20 14.103 10.597 -4.135 238 HH22 ARG 20 HH22 ARG 20 15.695 10.052 -4.541 239 H VAL 21 H VAL 21 8.900 7.007 -3.320 240 HA VAL 21 HA VAL 21 6.543 5.581 -4.238 241 HB VAL 21 HB VAL 21 7.458 8.414 -5.035 242 HG11 VAL 21 HG11 VAL 21 5.066 8.783 -5.355 243 HG12 VAL 21 HG12 VAL 21 4.776 7.080 -5.006 244 HG13 VAL 21 HG13 VAL 21 5.703 7.541 -6.434 245 HG21 VAL 21 HG21 VAL 21 6.132 9.222 -3.184 246 HG22 VAL 21 HG22 VAL 21 7.451 8.197 -2.615 247 HG23 VAL 21 HG23 VAL 21 5.807 7.561 -2.686 248 H LEU 22 H LEU 22 6.269 4.610 -6.117 249 HA LEU 22 HA LEU 22 8.251 4.928 -8.245 250 HB2 LEU 22 HB2 LEU 22 6.230 2.712 -7.933 251 HB3 LEU 22 HB3 LEU 22 7.618 2.750 -8.965 252 HG LEU 22 HG LEU 22 7.623 2.501 -5.988 253 HD11 LEU 22 HD11 LEU 22 8.718 0.623 -8.064 254 HD12 LEU 22 HD12 LEU 22 7.102 0.480 -7.375 255 HD13 LEU 22 HD13 LEU 22 8.518 0.331 -6.336 256 HD21 LEU 22 HD21 LEU 22 10.046 2.568 -7.774 257 HD22 LEU 22 HD22 LEU 22 9.983 2.523 -6.012 258 HD23 LEU 22 HD23 LEU 22 9.463 3.966 -6.867 259 H GLU 23 H GLU 23 4.978 5.330 -7.372 260 HA GLU 23 HA GLU 23 4.422 6.836 -9.802 261 HB2 GLU 23 HB2 GLU 23 4.036 4.277 -10.260 262 HB3 GLU 23 HB3 GLU 23 2.548 4.543 -9.363 263 HG2 GLU 23 HG2 GLU 23 1.646 5.140 -11.300 264 HG3 GLU 23 HG3 GLU 23 2.579 6.626 -11.162 265 H ALA 24 H ALA 24 2.116 7.679 -9.774 266 HA ALA 24 HA ALA 24 0.692 7.578 -7.290 267 HB1 ALA 24 HB1 ALA 24 2.129 10.137 -8.000 268 HB2 ALA 24 HB2 ALA 24 2.511 9.074 -6.645 269 HB3 ALA 24 HB3 ALA 24 0.971 9.934 -6.685 270 H SER 25 H SER 25 -1.397 7.881 -7.705 271 HA SER 25 HA SER 25 -2.124 9.323 -10.177 272 HB2 SER 25 HB2 SER 25 -2.680 6.716 -9.619 273 HB3 SER 25 HB3 SER 25 -4.129 7.505 -8.996 274 HG SER 25 HG SER 25 -3.824 6.866 -11.411 275 H GLU 26 H GLU 26 -4.028 10.641 -10.130 276 HA GLU 26 HA GLU 26 -4.287 12.185 -7.794 277 HB2 GLU 26 HB2 GLU 26 -6.242 12.106 -10.092 278 HB3 GLU 26 HB3 GLU 26 -5.923 13.428 -8.994 279 HG2 GLU 26 HG2 GLU 26 -3.872 12.352 -10.888 280 HG3 GLU 26 HG3 GLU 26 -4.962 13.679 -11.286 281 H ALA 27 H ALA 27 -6.132 12.508 -6.501 282 HA ALA 27 HA ALA 27 -7.220 10.020 -5.645 283 HB1 ALA 27 HB1 ALA 27 -8.043 11.313 -3.763 284 HB2 ALA 27 HB2 ALA 27 -7.628 12.808 -4.605 285 HB3 ALA 27 HB3 ALA 27 -6.336 11.679 -4.122 286 H ARG 28 H ARG 28 -9.100 9.134 -6.006 287 HA ARG 28 HA ARG 28 -11.252 10.699 -7.257 288 HB2 ARG 28 HB2 ARG 28 -10.535 9.652 -9.160 289 HB3 ARG 28 HB3 ARG 28 -9.799 8.324 -8.282 290 HG2 ARG 28 HG2 ARG 28 -12.616 8.118 -7.981 291 HG3 ARG 28 HG3 ARG 28 -12.259 8.380 -9.688 292 HD2 ARG 28 HD2 ARG 28 -10.750 6.496 -9.708 293 HD3 ARG 28 HD3 ARG 28 -10.934 6.285 -7.968 294 HE ARG 28 HE ARG 28 -13.424 6.119 -9.372 295 HH11 ARG 28 HH11 ARG 28 -10.584 4.309 -8.445 296 HH12 ARG 28 HH12 ARG 28 -11.389 2.776 -8.502 297 HH21 ARG 28 HH21 ARG 28 -14.481 4.102 -9.448 298 HH22 ARG 28 HH22 ARG 28 -13.600 2.658 -9.072 299 H GLN 29 H GLN 29 -13.375 9.802 -7.027 300 HA GLN 29 HA GLN 29 -13.807 8.515 -4.484 301 HB2 GLN 29 HB2 GLN 29 -15.628 9.736 -6.550 302 HB3 GLN 29 HB3 GLN 29 -16.252 8.871 -5.155 303 HG2 GLN 29 HG2 GLN 29 -15.088 10.429 -3.685 304 HG3 GLN 29 HG3 GLN 29 -14.518 11.321 -5.092 305 HE21 GLN 29 HE21 GLN 29 -17.271 10.528 -3.119 306 HE22 GLN 29 HE22 GLN 29 -18.322 11.752 -3.737 307 H ILE 30 H ILE 30 -14.652 6.512 -4.129 308 HA ILE 30 HA ILE 30 -15.235 4.856 -6.495 309 HB ILE 30 HB ILE 30 -14.300 2.933 -5.440 310 HG12 ILE 30 HG12 ILE 30 -13.603 4.555 -3.004 311 HG13 ILE 30 HG13 ILE 30 -15.138 3.697 -3.149 312 HG21 ILE 30 HG21 ILE 30 -12.516 5.341 -5.228 313 HG22 ILE 30 HG22 ILE 30 -12.559 4.105 -6.490 314 HG23 ILE 30 HG23 ILE 30 -11.921 3.708 -4.885 315 HD11 ILE 30 HD11 ILE 30 -13.280 2.511 -1.907 316 HD12 ILE 30 HD12 ILE 30 -12.480 2.332 -3.469 317 HD13 ILE 30 HD13 ILE 30 -14.061 1.599 -3.199 318 H GLN 31 H GLN 31 -16.732 3.060 -6.002 319 HA GLN 31 HA GLN 31 -18.696 3.830 -3.962 320 HB2 GLN 31 HB2 GLN 31 -19.056 2.603 -6.689 321 HB3 GLN 31 HB3 GLN 31 -20.316 2.524 -5.465 322 HG2 GLN 31 HG2 GLN 31 -20.455 4.928 -5.394 323 HG3 GLN 31 HG3 GLN 31 -19.101 5.069 -6.513 324 HE21 GLN 31 HE21 GLN 31 -19.410 4.619 -8.682 325 HE22 GLN 31 HE22 GLN 31 -20.980 4.485 -9.388 326 H THR 32 H THR 32 -18.586 2.536 -2.271 327 HA THR 32 HA THR 32 -17.932 -0.305 -2.664 328 HB THR 32 HB THR 32 -17.355 -0.380 -0.293 329 HG1 THR 32 HG1 THR 32 -18.353 2.251 -0.378 330 HG21 THR 32 HG21 THR 32 -16.058 1.731 -1.986 331 HG22 THR 32 HG22 THR 32 -15.501 0.094 -1.641 332 HG23 THR 32 HG23 THR 32 -15.437 1.335 -0.382 333 H LYS 33 H LYS 33 -18.869 -1.487 -0.499 334 HA LYS 33 HA LYS 33 -21.719 -1.462 -0.942 335 HB2 LYS 33 HB2 LYS 33 -21.757 -3.457 0.452 336 HB3 LYS 33 HB3 LYS 33 -20.481 -3.585 -0.749 337 HG2 LYS 33 HG2 LYS 33 -18.794 -3.225 0.841 338 HG3 LYS 33 HG3 LYS 33 -19.942 -2.628 2.040 339 HD2 LYS 33 HD2 LYS 33 -20.981 -4.938 1.995 340 HD3 LYS 33 HD3 LYS 33 -19.567 -5.451 1.069 341 HE2 LYS 33 HE2 LYS 33 -18.104 -4.760 2.882 342 HE3 LYS 33 HE3 LYS 33 -19.490 -4.170 3.799 343 HZ1 LYS 33 HZ1 LYS 33 -18.929 -6.988 3.053 344 HZ2 LYS 33 HZ2 LYS 33 -20.350 -6.466 3.806 345 HZ3 LYS 33 HZ3 LYS 33 -18.867 -6.319 4.606 346 H ASN 34 H ASN 34 -19.618 0.168 1.055 347 HA ASN 34 HA ASN 34 -21.621 0.481 3.192 348 HB2 ASN 34 HB2 ASN 34 -18.670 1.155 3.263 349 HB3 ASN 34 HB3 ASN 34 -19.798 1.296 4.606 350 HD21 ASN 34 HD21 ASN 34 -20.618 -0.596 5.564 351 HD22 ASN 34 HD22 ASN 34 -19.800 -2.109 5.400 352 H GLY 35 H GLY 35 -20.868 1.889 0.408 353 HA2 GLY 35 HA2 GLY 35 -22.123 4.028 0.081 354 HA3 GLY 35 HA3 GLY 35 -21.229 4.628 1.468 355 H VAL 36 H VAL 36 -20.327 6.347 0.291 356 HA VAL 36 HA VAL 36 -18.384 5.501 -1.745 357 HB VAL 36 HB VAL 36 -20.075 6.886 -2.748 358 HG11 VAL 36 HG11 VAL 36 -20.483 9.184 -2.078 359 HG12 VAL 36 HG12 VAL 36 -19.299 9.041 -0.778 360 HG13 VAL 36 HG13 VAL 36 -20.789 8.098 -0.721 361 HG21 VAL 36 HG21 VAL 36 -17.503 8.424 -2.433 362 HG22 VAL 36 HG22 VAL 36 -18.684 8.622 -3.730 363 HG23 VAL 36 HG23 VAL 36 -17.794 7.105 -3.569 364 H ARG 37 H ARG 37 -16.355 6.154 -1.683 365 HA ARG 37 HA ARG 37 -15.349 7.880 0.456 366 HB2 ARG 37 HB2 ARG 37 -13.560 6.284 0.751 367 HB3 ARG 37 HB3 ARG 37 -15.061 5.950 1.545 368 HG2 ARG 37 HG2 ARG 37 -14.599 4.717 -1.117 369 HG3 ARG 37 HG3 ARG 37 -13.797 4.021 0.288 370 HD2 ARG 37 HD2 ARG 37 -16.703 4.657 0.390 371 HD3 ARG 37 HD3 ARG 37 -16.148 3.184 -0.392 372 HE ARG 37 HE ARG 37 -15.004 2.737 1.837 373 HH11 ARG 37 HH11 ARG 37 -18.018 4.474 1.524 374 HH12 ARG 37 HH12 ARG 37 -18.543 4.110 3.133 375 HH21 ARG 37 HH21 ARG 37 -15.677 2.285 3.967 376 HH22 ARG 37 HH22 ARG 37 -17.214 2.865 4.521 377 H THR 38 H THR 38 -12.956 8.267 0.138 378 HA THR 38 HA THR 38 -12.553 8.732 -2.749 379 HB THR 38 HB THR 38 -11.125 10.719 -1.822 380 HG1 THR 38 HG1 THR 38 -11.549 11.329 0.170 381 HG21 THR 38 HG21 THR 38 -14.135 10.848 -1.917 382 HG22 THR 38 HG22 THR 38 -13.044 11.002 -3.296 383 HG23 THR 38 HG23 THR 38 -13.045 12.229 -2.030 384 H ILE 39 H ILE 39 -11.037 7.374 -3.342 385 HA ILE 39 HA ILE 39 -8.639 7.246 -1.649 386 HB ILE 39 HB ILE 39 -8.410 4.872 -2.342 387 HG12 ILE 39 HG12 ILE 39 -11.293 4.734 -2.925 388 HG13 ILE 39 HG13 ILE 39 -10.304 5.451 -4.201 389 HG21 ILE 39 HG21 ILE 39 -9.568 4.179 -0.526 390 HG22 ILE 39 HG22 ILE 39 -11.025 5.058 -0.984 391 HG23 ILE 39 HG23 ILE 39 -9.672 5.913 -0.261 392 HD11 ILE 39 HD11 ILE 39 -8.842 3.270 -3.604 393 HD12 ILE 39 HD12 ILE 39 -10.115 3.289 -4.820 394 HD13 ILE 39 HD13 ILE 39 -10.455 2.689 -3.197 395 H SER 40 H SER 40 -6.859 6.098 -2.908 396 HA SER 40 HA SER 40 -6.880 6.588 -5.752 397 HB2 SER 40 HB2 SER 40 -6.237 8.772 -4.631 398 HB3 SER 40 HB3 SER 40 -4.781 7.936 -4.062 399 HG SER 40 HG SER 40 -5.269 9.008 -6.461 400 H GLU 41 H GLU 41 -4.758 5.935 -6.702 401 HA GLU 41 HA GLU 41 -3.597 3.790 -5.101 402 HB2 GLU 41 HB2 GLU 41 -5.217 3.238 -7.076 403 HB3 GLU 41 HB3 GLU 41 -3.837 3.642 -8.083 404 HG2 GLU 41 HG2 GLU 41 -2.902 1.868 -6.109 405 HG3 GLU 41 HG3 GLU 41 -4.430 1.216 -6.695 406 H ALA 42 H ALA 42 -1.428 3.575 -5.110 407 HA ALA 42 HA ALA 42 0.191 5.126 -6.984 408 HB1 ALA 42 HB1 ALA 42 -0.280 6.645 -5.108 409 HB2 ALA 42 HB2 ALA 42 1.431 6.244 -5.239 410 HB3 ALA 42 HB3 ALA 42 0.439 5.478 -3.999 411 H ILE 43 H ILE 43 1.974 4.027 -7.540 412 HA ILE 43 HA ILE 43 2.512 1.494 -6.254 413 HB ILE 43 HB ILE 43 3.940 2.747 -8.601 414 HG12 ILE 43 HG12 ILE 43 1.625 2.560 -9.194 415 HG13 ILE 43 HG13 ILE 43 2.477 1.229 -9.968 416 HG21 ILE 43 HG21 ILE 43 4.754 0.573 -9.104 417 HG22 ILE 43 HG22 ILE 43 3.738 -0.165 -7.867 418 HG23 ILE 43 HG23 ILE 43 5.089 0.868 -7.398 419 HD11 ILE 43 HD11 ILE 43 1.729 -0.234 -8.092 420 HD12 ILE 43 HD12 ILE 43 0.425 0.400 -9.098 421 HD13 ILE 43 HD13 ILE 43 0.746 1.114 -7.517 422 H VAL 44 H VAL 44 4.025 1.136 -4.833 423 HA VAL 44 HA VAL 44 6.425 2.807 -4.551 424 HB VAL 44 HB VAL 44 6.217 1.664 -1.988 425 HG11 VAL 44 HG11 VAL 44 5.214 4.181 -3.204 426 HG12 VAL 44 HG12 VAL 44 5.762 3.910 -1.542 427 HG13 VAL 44 HG13 VAL 44 4.064 3.571 -1.999 428 HG21 VAL 44 HG21 VAL 44 4.212 0.495 -2.875 429 HG22 VAL 44 HG22 VAL 44 3.483 2.094 -3.132 430 HG23 VAL 44 HG23 VAL 44 3.874 1.551 -1.492 431 H GLY 45 H GLY 45 8.064 1.682 -3.430 432 HA2 GLY 45 HA2 GLY 45 8.081 -0.971 -2.726 433 HA3 GLY 45 HA3 GLY 45 8.595 -0.973 -4.406 434 H ASP 46 H ASP 46 10.299 -1.992 -2.629 435 HA ASP 46 HA ASP 46 12.384 0.077 -2.422 436 HB2 ASP 46 HB2 ASP 46 13.214 -1.088 -0.382 437 HB3 ASP 46 HB3 ASP 46 11.615 -0.388 -0.174 438 H GLU 47 H GLU 47 14.443 -1.577 -1.600 439 HA GLU 47 HA GLU 47 15.160 -2.821 -4.061 440 HB2 GLU 47 HB2 GLU 47 17.247 -3.474 -2.765 441 HB3 GLU 47 HB3 GLU 47 16.926 -1.754 -2.919 442 HG2 GLU 47 HG2 GLU 47 16.782 -1.484 -0.717 443 HG3 GLU 47 HG3 GLU 47 15.728 -2.885 -0.533 444 H THR 48 H THR 48 13.197 -3.921 -1.673 445 HA THR 48 HA THR 48 14.132 -6.700 -1.892 446 HB THR 48 HB THR 48 13.013 -7.186 0.085 447 HG1 THR 48 HG1 THR 48 11.140 -5.642 -0.829 448 HG21 THR 48 HG21 THR 48 14.902 -5.434 0.244 449 HG22 THR 48 HG22 THR 48 13.887 -5.710 1.659 450 HG23 THR 48 HG23 THR 48 13.604 -4.303 0.633 451 H GLY 49 H GLY 49 12.099 -4.740 -3.563 452 HA2 GLY 49 HA2 GLY 49 10.907 -6.364 -5.216 453 HA3 GLY 49 HA3 GLY 49 9.938 -6.693 -3.792 454 H ARG 50 H ARG 50 8.059 -5.930 -4.681 455 HA ARG 50 HA ARG 50 7.685 -3.100 -4.578 456 HB2 ARG 50 HB2 ARG 50 8.430 -3.334 -6.877 457 HB3 ARG 50 HB3 ARG 50 7.278 -4.637 -7.146 458 HG2 ARG 50 HG2 ARG 50 5.573 -2.779 -6.365 459 HG3 ARG 50 HG3 ARG 50 6.844 -1.726 -6.977 460 HD2 ARG 50 HD2 ARG 50 5.852 -4.047 -8.591 461 HD3 ARG 50 HD3 ARG 50 4.967 -2.525 -8.574 462 HE ARG 50 HE ARG 50 7.802 -2.451 -9.248 463 HH11 ARG 50 HH11 ARG 50 4.485 -2.268 -10.307 464 HH12 ARG 50 HH12 ARG 50 4.880 -1.562 -11.839 465 HH21 ARG 50 HH21 ARG 50 8.329 -1.520 -11.258 466 HH22 ARG 50 HH22 ARG 50 7.064 -1.139 -12.379 467 H VAL 51 H VAL 51 5.613 -2.584 -4.209 468 HA VAL 51 HA VAL 51 3.501 -4.546 -4.388 469 HB VAL 51 HB VAL 51 4.345 -5.052 -2.198 470 HG11 VAL 51 HG11 VAL 51 4.133 -2.102 -1.598 471 HG12 VAL 51 HG12 VAL 51 5.627 -3.017 -1.792 472 HG13 VAL 51 HG13 VAL 51 4.553 -3.360 -0.436 473 HG21 VAL 51 HG21 VAL 51 1.913 -3.304 -2.036 474 HG22 VAL 51 HG22 VAL 51 2.409 -4.466 -0.805 475 HG23 VAL 51 HG23 VAL 51 1.946 -5.023 -2.414 476 H LYS 52 H LYS 52 1.589 -3.624 -4.882 477 HA LYS 52 HA LYS 52 1.420 -0.868 -5.459 478 HB2 LYS 52 HB2 LYS 52 -1.018 -2.577 -5.128 479 HB3 LYS 52 HB3 LYS 52 -0.706 -1.315 -6.311 480 HG2 LYS 52 HG2 LYS 52 1.218 -3.372 -6.692 481 HG3 LYS 52 HG3 LYS 52 -0.375 -4.120 -6.573 482 HD2 LYS 52 HD2 LYS 52 -1.216 -2.825 -8.371 483 HD3 LYS 52 HD3 LYS 52 0.192 -1.762 -8.357 484 HE2 LYS 52 HE2 LYS 52 0.329 -3.312 -10.218 485 HE3 LYS 52 HE3 LYS 52 1.607 -3.652 -9.050 486 HZ1 LYS 52 HZ1 LYS 52 0.261 -5.465 -8.171 487 HZ2 LYS 52 HZ2 LYS 52 0.554 -5.684 -9.822 488 HZ3 LYS 52 HZ3 LYS 52 -0.959 -5.138 -9.298 489 H LEU 53 H LEU 53 0.739 0.845 -4.277 490 HA LEU 53 HA LEU 53 -0.230 0.343 -1.551 491 HB2 LEU 53 HB2 LEU 53 1.867 1.748 -2.065 492 HB3 LEU 53 HB3 LEU 53 0.755 2.984 -2.608 493 HG LEU 53 HG LEU 53 1.688 3.168 -0.232 494 HD11 LEU 53 HD11 LEU 53 -0.171 4.527 -1.021 495 HD12 LEU 53 HD12 LEU 53 -0.396 4.053 0.663 496 HD13 LEU 53 HD13 LEU 53 -1.301 3.233 -0.611 497 HD21 LEU 53 HD21 LEU 53 0.564 1.926 1.498 498 HD22 LEU 53 HD22 LEU 53 1.347 0.813 0.376 499 HD23 LEU 53 HD23 LEU 53 -0.399 1.066 0.297 500 H THR 54 H THR 54 -2.087 1.180 -0.820 501 HA THR 54 HA THR 54 -3.803 2.659 -2.649 502 HB THR 54 HB THR 54 -5.070 0.710 -0.773 503 HG1 THR 54 HG1 THR 54 -3.703 0.114 -3.173 504 HG21 THR 54 HG21 THR 54 -5.871 2.583 -2.704 505 HG22 THR 54 HG22 THR 54 -6.895 1.448 -1.832 506 HG23 THR 54 HG23 THR 54 -6.210 1.001 -3.393 507 H LEU 55 H LEU 55 -3.944 4.545 -1.745 508 HA LEU 55 HA LEU 55 -3.908 5.007 1.074 509 HB2 LEU 55 HB2 LEU 55 -4.714 7.008 -0.953 510 HB3 LEU 55 HB3 LEU 55 -3.753 7.229 0.476 511 HG LEU 55 HG LEU 55 -2.377 5.455 -1.283 512 HD11 LEU 55 HD11 LEU 55 -1.987 7.554 -2.894 513 HD12 LEU 55 HD12 LEU 55 -3.690 7.742 -2.506 514 HD13 LEU 55 HD13 LEU 55 -3.125 6.249 -3.235 515 HD21 LEU 55 HD21 LEU 55 -1.386 6.845 0.503 516 HD22 LEU 55 HD22 LEU 55 -1.711 8.272 -0.484 517 HD23 LEU 55 HD23 LEU 55 -0.596 7.035 -1.063 518 H TRP 56 H TRP 56 -5.659 6.117 2.224 519 HA TRP 56 HA TRP 56 -8.287 5.671 1.003 520 HB2 TRP 56 HB2 TRP 56 -7.254 4.673 3.611 521 HB3 TRP 56 HB3 TRP 56 -8.976 4.927 3.395 522 HD1 TRP 56 HD1 TRP 56 -6.142 2.584 2.448 523 HE1 TRP 56 HE1 TRP 56 -7.061 0.589 1.133 524 HE3 TRP 56 HE3 TRP 56 -10.937 4.257 1.712 525 HZ2 TRP 56 HZ2 TRP 56 -9.557 -0.185 -0.026 526 HZ3 TRP 56 HZ3 TRP 56 -12.497 2.831 0.487 527 HH2 TRP 56 HH2 TRP 56 -11.832 0.663 -0.348 528 H GLY 57 H GLY 57 -9.552 7.306 1.011 529 HA2 GLY 57 HA2 GLY 57 -10.668 9.199 1.514 530 HA3 GLY 57 HA3 GLY 57 -10.169 9.001 3.165 531 H LYS 58 H LYS 58 -8.364 10.246 3.921 532 HA LYS 58 HA LYS 58 -7.817 12.564 2.281 533 HB2 LYS 58 HB2 LYS 58 -6.341 13.141 4.393 534 HB3 LYS 58 HB3 LYS 58 -8.087 13.321 4.413 535 HG2 LYS 58 HG2 LYS 58 -7.552 12.286 6.437 536 HG3 LYS 58 HG3 LYS 58 -8.161 10.985 5.414 537 HD2 LYS 58 HD2 LYS 58 -5.540 10.863 4.816 538 HD3 LYS 58 HD3 LYS 58 -5.449 11.458 6.475 539 HE2 LYS 58 HE2 LYS 58 -7.162 9.112 5.745 540 HE3 LYS 58 HE3 LYS 58 -5.442 8.925 6.079 541 HZ1 LYS 58 HZ1 LYS 58 -6.732 8.534 8.067 542 HZ2 LYS 58 HZ2 LYS 58 -7.481 10.044 7.930 543 HZ3 LYS 58 HZ3 LYS 58 -5.825 9.950 8.260 544 H HIS 59 H HIS 59 -6.117 9.647 3.114 545 HA HIS 59 HA HIS 59 -3.505 10.536 2.449 546 HB2 HIS 59 HB2 HIS 59 -4.817 7.850 2.768 547 HB3 HIS 59 HB3 HIS 59 -3.205 7.975 2.080 548 HD2 HIS 59 HD2 HIS 59 -4.488 7.143 5.385 549 HE1 HIS 59 HE1 HIS 59 -1.078 9.542 6.191 550 HE2 HIS 59 HE2 HIS 59 -2.765 7.918 7.121 551 H ALA 60 H ALA 60 -6.280 9.610 0.660 552 HA ALA 60 HA ALA 60 -5.208 8.657 -1.709 553 HB1 ALA 60 HB1 ALA 60 -7.329 8.641 -2.390 554 HB2 ALA 60 HB2 ALA 60 -7.513 10.376 -2.117 555 HB3 ALA 60 HB3 ALA 60 -7.723 9.247 -0.776 556 H GLY 61 H GLY 61 -3.979 9.531 -3.236 557 HA2 GLY 61 HA2 GLY 61 -2.861 11.077 -4.487 558 HA3 GLY 61 HA3 GLY 61 -4.290 12.037 -4.341 559 H SER 62 H SER 62 -3.102 11.414 -1.282 560 HA SER 62 HA SER 62 -2.221 14.158 -1.023 561 HB2 SER 62 HB2 SER 62 -3.591 13.425 0.763 562 HB3 SER 62 HB3 SER 62 -2.674 11.915 0.947 563 HG SER 62 HG SER 62 -1.206 12.939 2.086 564 H ILE 63 H ILE 63 -0.768 11.101 -1.504 565 HA ILE 63 HA ILE 63 1.734 11.690 -0.244 566 HB ILE 63 HB ILE 63 2.569 9.711 -1.645 567 HG12 ILE 63 HG12 ILE 63 0.016 8.545 -2.071 568 HG13 ILE 63 HG13 ILE 63 -0.014 10.129 -2.834 569 HG21 ILE 63 HG21 ILE 63 1.504 8.115 -0.158 570 HG22 ILE 63 HG22 ILE 63 0.206 9.254 0.203 571 HG23 ILE 63 HG23 ILE 63 1.853 9.600 0.729 572 HD11 ILE 63 HD11 ILE 63 0.705 8.497 -4.430 573 HD12 ILE 63 HD12 ILE 63 1.963 7.920 -3.337 574 HD13 ILE 63 HD13 ILE 63 2.069 9.540 -4.027 575 H LYS 64 H LYS 64 3.793 11.446 -1.617 576 HA LYS 64 HA LYS 64 3.627 13.433 -3.764 577 HB2 LYS 64 HB2 LYS 64 5.570 12.832 -1.638 578 HB3 LYS 64 HB3 LYS 64 6.283 13.177 -3.208 579 HG2 LYS 64 HG2 LYS 64 4.909 15.277 -3.258 580 HG3 LYS 64 HG3 LYS 64 4.487 14.948 -1.577 581 HD2 LYS 64 HD2 LYS 64 7.124 14.721 -1.358 582 HD3 LYS 64 HD3 LYS 64 7.080 15.789 -2.763 583 HE2 LYS 64 HE2 LYS 64 5.889 17.455 -1.570 584 HE3 LYS 64 HE3 LYS 64 5.552 16.355 -0.233 585 HZ1 LYS 64 HZ1 LYS 64 7.317 17.908 0.317 586 HZ2 LYS 64 HZ2 LYS 64 8.237 17.370 -0.995 587 HZ3 LYS 64 HZ3 LYS 64 7.909 16.323 0.292 588 H GLU 65 H GLU 65 5.830 13.087 -5.145 589 HA GLU 65 HA GLU 65 5.457 10.579 -6.537 590 HB2 GLU 65 HB2 GLU 65 6.329 13.248 -7.219 591 HB3 GLU 65 HB3 GLU 65 7.536 12.073 -7.717 592 HG2 GLU 65 HG2 GLU 65 6.067 10.990 -9.172 593 HG3 GLU 65 HG3 GLU 65 4.666 11.692 -8.352 594 H GLY 66 H GLY 66 7.905 9.990 -7.549 595 HA2 GLY 66 HA2 GLY 66 9.047 8.307 -5.769 596 HA3 GLY 66 HA3 GLY 66 9.965 9.079 -7.040 597 H GLN 67 H GLN 67 9.010 9.222 -3.691 598 HA GLN 67 HA GLN 67 11.438 10.692 -2.989 599 HB2 GLN 67 HB2 GLN 67 10.203 12.101 -1.424 600 HB3 GLN 67 HB3 GLN 67 9.592 12.356 -3.052 601 HG2 GLN 67 HG2 GLN 67 7.578 12.087 -2.186 602 HG3 GLN 67 HG3 GLN 67 7.964 10.370 -2.125 603 HE21 GLN 67 HE21 GLN 67 8.726 9.491 -0.166 604 HE22 GLN 67 HE22 GLN 67 8.370 10.247 1.347 605 H VAL 68 H VAL 68 11.912 10.376 -0.566 606 HA VAL 68 HA VAL 68 11.478 7.624 0.033 607 HB VAL 68 HB VAL 68 12.873 9.585 1.827 608 HG11 VAL 68 HG11 VAL 68 12.860 6.686 1.342 609 HG12 VAL 68 HG12 VAL 68 12.646 7.544 2.862 610 HG13 VAL 68 HG13 VAL 68 14.250 7.420 2.139 611 HG21 VAL 68 HG21 VAL 68 14.932 9.074 0.661 612 HG22 VAL 68 HG22 VAL 68 13.762 9.888 -0.393 613 HG23 VAL 68 HG23 VAL 68 13.986 8.114 -0.500 614 H VAL 69 H VAL 69 9.719 6.983 1.047 615 HA VAL 69 HA VAL 69 8.544 8.739 3.102 616 HB VAL 69 HB VAL 69 6.581 6.874 2.399 617 HG11 VAL 69 HG11 VAL 69 5.301 8.779 1.744 618 HG12 VAL 69 HG12 VAL 69 6.759 9.739 1.494 619 HG13 VAL 69 HG13 VAL 69 6.306 9.228 3.122 620 HG21 VAL 69 HG21 VAL 69 8.287 7.382 0.136 621 HG22 VAL 69 HG22 VAL 69 6.659 7.990 -0.161 622 HG23 VAL 69 HG23 VAL 69 6.903 6.299 0.275 623 H LYS 70 H LYS 70 7.021 7.288 4.556 624 HA LYS 70 HA LYS 70 8.321 4.746 5.173 625 HB2 LYS 70 HB2 LYS 70 9.324 6.634 6.558 626 HB3 LYS 70 HB3 LYS 70 7.751 6.778 7.329 627 HG2 LYS 70 HG2 LYS 70 8.349 4.075 7.491 628 HG3 LYS 70 HG3 LYS 70 9.880 4.890 7.816 629 HD2 LYS 70 HD2 LYS 70 8.628 6.330 9.466 630 HD3 LYS 70 HD3 LYS 70 7.255 5.240 9.254 631 HE2 LYS 70 HE2 LYS 70 8.674 3.356 9.960 632 HE3 LYS 70 HE3 LYS 70 10.010 4.477 10.223 633 HZ1 LYS 70 HZ1 LYS 70 8.867 3.969 12.286 634 HZ2 LYS 70 HZ2 LYS 70 7.403 4.528 11.648 635 HZ3 LYS 70 HZ3 LYS 70 8.681 5.607 11.899 636 H ILE 71 H ILE 71 6.674 3.383 4.927 637 HA ILE 71 HA ILE 71 3.963 4.129 5.504 638 HB ILE 71 HB ILE 71 5.089 1.399 4.878 639 HG12 ILE 71 HG12 ILE 71 5.419 3.297 3.176 640 HG13 ILE 71 HG13 ILE 71 4.664 1.809 2.602 641 HG21 ILE 71 HG21 ILE 71 2.303 2.471 5.109 642 HG22 ILE 71 HG22 ILE 71 2.994 1.010 5.816 643 HG23 ILE 71 HG23 ILE 71 2.656 1.080 4.086 644 HD11 ILE 71 HD11 ILE 71 3.651 3.987 1.815 645 HD12 ILE 71 HD12 ILE 71 3.103 4.234 3.474 646 HD13 ILE 71 HD13 ILE 71 2.525 2.847 2.552 647 H GLU 72 H GLU 72 2.637 3.392 7.221 648 HA GLU 72 HA GLU 72 4.102 2.225 9.424 649 HB2 GLU 72 HB2 GLU 72 2.980 4.674 9.392 650 HB3 GLU 72 HB3 GLU 72 1.647 3.764 9.998 651 HG2 GLU 72 HG2 GLU 72 4.115 3.079 11.321 652 HG3 GLU 72 HG3 GLU 72 3.775 4.804 11.437 653 H ASN 73 H ASN 73 2.296 1.557 11.004 654 HA ASN 73 HA ASN 73 1.253 -0.874 10.277 655 HB2 ASN 73 HB2 ASN 73 1.363 0.617 12.542 656 HB3 ASN 73 HB3 ASN 73 -0.322 0.659 12.134 657 HD21 ASN 73 HD21 ASN 73 -1.525 -1.013 12.902 658 HD22 ASN 73 HD22 ASN 73 -0.922 -2.535 13.434 659 H ALA 74 H ALA 74 0.111 -1.026 8.443 660 HA ALA 74 HA ALA 74 -2.538 0.273 8.433 661 HB1 ALA 74 HB1 ALA 74 -1.316 1.215 6.640 662 HB2 ALA 74 HB2 ALA 74 -2.387 0.008 5.923 663 HB3 ALA 74 HB3 ALA 74 -0.675 -0.355 6.158 664 H TRP 75 H TRP 75 -1.719 -1.984 5.997 665 HA TRP 75 HA TRP 75 -2.221 -4.451 7.175 666 HB2 TRP 75 HB2 TRP 75 -4.570 -4.833 6.433 667 HB3 TRP 75 HB3 TRP 75 -4.410 -3.717 7.781 668 HD1 TRP 75 HD1 TRP 75 -5.200 -3.691 3.995 669 HE1 TRP 75 HE1 TRP 75 -6.551 -1.582 3.509 670 HE3 TRP 75 HE3 TRP 75 -4.923 -1.406 8.536 671 HZ2 TRP 75 HZ2 TRP 75 -7.371 0.681 4.793 672 HZ3 TRP 75 HZ3 TRP 75 -6.031 0.773 8.817 673 HH2 TRP 75 HH2 TRP 75 -7.248 1.815 6.957 674 H THR 76 H THR 76 -3.082 -6.041 5.575 675 HA THR 76 HA THR 76 -2.339 -5.319 2.844 676 HB THR 76 HB THR 76 -1.295 -7.669 2.720 677 HG1 THR 76 HG1 THR 76 -0.294 -8.137 4.876 678 HG21 THR 76 HG21 THR 76 0.894 -6.778 3.650 679 HG22 THR 76 HG22 THR 76 -0.007 -5.325 4.092 680 HG23 THR 76 HG23 THR 76 0.108 -5.811 2.399 681 H THR 77 H THR 77 -3.630 -6.148 1.360 682 HA THR 77 HA THR 77 -5.457 -8.312 2.133 683 HB THR 77 HB THR 77 -7.359 -7.235 1.295 684 HG1 THR 77 HG1 THR 77 -5.916 -6.398 -0.592 685 HG21 THR 77 HG21 THR 77 -6.513 -6.140 3.389 686 HG22 THR 77 HG22 THR 77 -7.513 -5.084 2.394 687 HG23 THR 77 HG23 THR 77 -5.760 -4.902 2.384 688 H ALA 78 H ALA 78 -5.542 -9.928 0.647 689 HA ALA 78 HA ALA 78 -3.853 -9.628 -1.693 690 HB1 ALA 78 HB1 ALA 78 -3.610 -11.610 -0.286 691 HB2 ALA 78 HB2 ALA 78 -4.058 -12.035 -1.939 692 HB3 ALA 78 HB3 ALA 78 -5.269 -12.075 -0.657 693 H PHE 79 H PHE 79 -4.792 -8.653 -3.380 694 HA PHE 79 HA PHE 79 -7.500 -9.321 -4.120 695 HB2 PHE 79 HB2 PHE 79 -6.441 -6.930 -3.999 696 HB3 PHE 79 HB3 PHE 79 -5.769 -7.363 -5.585 697 HD1 PHE 79 HD1 PHE 79 -8.890 -7.106 -3.669 698 HD2 PHE 79 HD2 PHE 79 -7.092 -7.280 -7.503 699 HE1 PHE 79 HE1 PHE 79 -11.036 -6.625 -4.692 700 HE2 PHE 79 HE2 PHE 79 -9.238 -6.769 -8.534 701 HZ PHE 79 HZ PHE 79 -11.240 -6.444 -7.136 702 H LYS 80 H LYS 80 -7.867 -10.825 -5.589 703 HA LYS 80 HA LYS 80 -7.670 -12.232 -7.352 704 HB2 LYS 80 HB2 LYS 80 -5.622 -10.259 -8.372 705 HB3 LYS 80 HB3 LYS 80 -6.477 -11.464 -9.328 706 HG2 LYS 80 HG2 LYS 80 -7.884 -9.278 -7.834 707 HG3 LYS 80 HG3 LYS 80 -7.285 -9.076 -9.474 708 HD2 LYS 80 HD2 LYS 80 -8.683 -10.978 -10.190 709 HD3 LYS 80 HD3 LYS 80 -9.315 -11.099 -8.545 710 HE2 LYS 80 HE2 LYS 80 -10.107 -8.758 -8.730 711 HE3 LYS 80 HE3 LYS 80 -9.577 -8.746 -10.409 712 HZ1 LYS 80 HZ1 LYS 80 -11.931 -9.202 -10.266 713 HZ2 LYS 80 HZ2 LYS 80 -11.653 -10.533 -9.260 714 HZ3 LYS 80 HZ3 LYS 80 -11.122 -10.562 -10.867 715 H GLY 81 H GLY 81 -5.658 -12.286 -4.994 716 HA2 GLY 81 HA2 GLY 81 -4.393 -14.266 -4.530 717 HA3 GLY 81 HA3 GLY 81 -3.984 -14.367 -6.233 718 H GLN 82 H GLN 82 -3.527 -11.247 -5.834 719 HA GLN 82 HA GLN 82 -0.729 -11.600 -5.009 720 HB2 GLN 82 HB2 GLN 82 -1.123 -8.982 -5.993 721 HB3 GLN 82 HB3 GLN 82 -0.204 -10.283 -6.734 722 HG2 GLN 82 HG2 GLN 82 -1.688 -10.497 -8.368 723 HG3 GLN 82 HG3 GLN 82 -3.032 -10.580 -7.233 724 HE21 GLN 82 HE21 GLN 82 -2.531 -8.001 -6.051 725 HE22 GLN 82 HE22 GLN 82 -3.003 -6.814 -7.213 726 H VAL 83 H VAL 83 0.120 -10.463 -3.308 727 HA VAL 83 HA VAL 83 -1.730 -9.440 -1.401 728 HB VAL 83 HB VAL 83 1.245 -8.967 -1.265 729 HG11 VAL 83 HG11 VAL 83 0.431 -9.620 1.225 730 HG12 VAL 83 HG12 VAL 83 -1.015 -8.834 0.589 731 HG13 VAL 83 HG13 VAL 83 0.521 -7.973 0.602 732 HG21 VAL 83 HG21 VAL 83 0.932 -11.315 -1.845 733 HG22 VAL 83 HG22 VAL 83 -0.198 -11.500 -0.505 734 HG23 VAL 83 HG23 VAL 83 1.498 -11.142 -0.184 735 H GLN 84 H GLN 84 -1.787 -7.264 -0.534 736 HA GLN 84 HA GLN 84 -0.650 -5.177 -2.226 737 HB2 GLN 84 HB2 GLN 84 -3.122 -5.971 -2.859 738 HB3 GLN 84 HB3 GLN 84 -3.534 -4.860 -1.560 739 HG2 GLN 84 HG2 GLN 84 -2.511 -3.035 -2.697 740 HG3 GLN 84 HG3 GLN 84 -1.827 -4.110 -3.916 741 HE21 GLN 84 HE21 GLN 84 -4.694 -2.538 -2.753 742 HE22 GLN 84 HE22 GLN 84 -5.677 -2.839 -4.170 743 H LEU 85 H LEU 85 -0.895 -3.017 -1.246 744 HA LEU 85 HA LEU 85 -1.153 -3.180 1.687 745 HB2 LEU 85 HB2 LEU 85 1.161 -2.815 0.314 746 HB3 LEU 85 HB3 LEU 85 0.674 -1.158 0.595 747 HG LEU 85 HG LEU 85 0.412 -2.603 3.046 748 HD11 LEU 85 HD11 LEU 85 2.785 -3.193 3.385 749 HD12 LEU 85 HD12 LEU 85 3.080 -2.896 1.671 750 HD13 LEU 85 HD13 LEU 85 2.000 -4.199 2.166 751 HD21 LEU 85 HD21 LEU 85 2.089 -0.926 3.772 752 HD22 LEU 85 HD22 LEU 85 0.723 -0.223 2.907 753 HD23 LEU 85 HD23 LEU 85 2.270 -0.432 2.087 754 H ASN 86 H ASN 86 -1.941 -1.320 2.756 755 HA ASN 86 HA ASN 86 -3.063 0.821 1.039 756 HB2 ASN 86 HB2 ASN 86 -4.538 -0.538 3.298 757 HB3 ASN 86 HB3 ASN 86 -5.158 0.724 2.261 758 HD21 ASN 86 HD21 ASN 86 -3.946 -2.518 2.308 759 HD22 ASN 86 HD22 ASN 86 -4.826 -3.080 0.937 760 H ALA 87 H ALA 87 -3.874 2.668 2.413 761 HA ALA 87 HA ALA 87 -2.598 2.685 5.042 762 HB1 ALA 87 HB1 ALA 87 -2.279 4.980 3.114 763 HB2 ALA 87 HB2 ALA 87 -1.046 3.755 3.411 764 HB3 ALA 87 HB3 ALA 87 -1.559 4.824 4.716 765 H GLY 88 H GLY 88 -4.111 3.106 6.445 766 HA2 GLY 88 HA2 GLY 88 -6.223 5.017 5.749 767 HA3 GLY 88 HA3 GLY 88 -6.444 3.673 6.778 768 H SER 89 H SER 89 -6.798 4.256 8.792 769 HA SER 89 HA SER 89 -5.896 6.807 9.715 770 HB2 SER 89 HB2 SER 89 -7.515 4.645 11.068 771 HB3 SER 89 HB3 SER 89 -7.133 6.195 11.821 772 HG SER 89 HG SER 89 -9.082 5.619 10.098 773 H LYS 90 H LYS 90 -5.315 3.462 11.069 774 HA LYS 90 HA LYS 90 -3.454 4.492 12.977 775 HB2 LYS 90 HB2 LYS 90 -2.792 2.201 13.475 776 HB3 LYS 90 HB3 LYS 90 -4.530 2.326 13.440 777 HG2 LYS 90 HG2 LYS 90 -3.174 1.441 10.965 778 HG3 LYS 90 HG3 LYS 90 -3.224 0.335 12.329 779 HD2 LYS 90 HD2 LYS 90 -5.805 1.418 12.121 780 HD3 LYS 90 HD3 LYS 90 -5.303 1.008 10.482 781 HE2 LYS 90 HE2 LYS 90 -5.112 -1.230 10.948 782 HE3 LYS 90 HE3 LYS 90 -4.800 -0.954 12.660 783 HZ1 LYS 90 HZ1 LYS 90 -7.098 -0.451 13.011 784 HZ2 LYS 90 HZ2 LYS 90 -6.999 -1.935 12.201 785 HZ3 LYS 90 HZ3 LYS 90 -7.432 -0.538 11.353 786 H THR 91 H THR 91 -3.198 4.455 9.804 787 HA THR 91 HA THR 91 -0.344 3.770 9.701 788 HB THR 91 HB THR 91 -2.026 4.599 7.340 789 HG1 THR 91 HG1 THR 91 -2.033 2.079 8.651 790 HG21 THR 91 HG21 THR 91 0.278 2.672 7.648 791 HG22 THR 91 HG22 THR 91 0.377 4.316 7.017 792 HG23 THR 91 HG23 THR 91 -0.525 3.086 6.133 793 H LYS 92 H LYS 92 1.038 5.473 9.863 794 HA LYS 92 HA LYS 92 0.084 8.139 9.040 795 HB2 LYS 92 HB2 LYS 92 1.539 7.219 11.404 796 HB3 LYS 92 HB3 LYS 92 2.339 8.558 10.594 797 HG2 LYS 92 HG2 LYS 92 0.922 9.481 12.250 798 HG3 LYS 92 HG3 LYS 92 0.170 9.801 10.687 799 HD2 LYS 92 HD2 LYS 92 -1.302 7.844 11.031 800 HD3 LYS 92 HD3 LYS 92 -0.583 7.613 12.627 801 HE2 LYS 92 HE2 LYS 92 -1.345 9.863 13.272 802 HE3 LYS 92 HE3 LYS 92 -2.105 10.043 11.690 803 HZ1 LYS 92 HZ1 LYS 92 -3.724 9.377 13.328 804 HZ2 LYS 92 HZ2 LYS 92 -2.806 8.020 13.748 805 HZ3 LYS 92 HZ3 LYS 92 -3.506 8.123 12.212 806 H ILE 93 H ILE 93 0.884 8.607 7.060 807 HA ILE 93 HA ILE 93 3.483 7.492 6.318 808 HB ILE 93 HB ILE 93 1.798 9.180 4.497 809 HG12 ILE 93 HG12 ILE 93 1.455 6.200 4.941 810 HG13 ILE 93 HG13 ILE 93 0.330 7.435 5.488 811 HG21 ILE 93 HG21 ILE 93 4.067 8.599 3.800 812 HG22 ILE 93 HG22 ILE 93 2.860 7.826 2.766 813 HG23 ILE 93 HG23 ILE 93 3.693 6.884 4.003 814 HD11 ILE 93 HD11 ILE 93 0.977 6.658 2.665 815 HD12 ILE 93 HD12 ILE 93 0.084 8.119 3.087 816 HD13 ILE 93 HD13 ILE 93 -0.564 6.535 3.514 817 H ALA 94 H ALA 94 5.268 8.686 5.824 818 HA ALA 94 HA ALA 94 5.267 11.578 5.566 819 HB1 ALA 94 HB1 ALA 94 6.616 12.022 7.491 820 HB2 ALA 94 HB2 ALA 94 6.358 10.368 8.118 821 HB3 ALA 94 HB3 ALA 94 4.994 11.494 7.995 822 H GLU 95 H GLU 95 7.219 12.465 4.902 823 HA GLU 95 HA GLU 95 8.923 10.769 3.444 824 HB2 GLU 95 HB2 GLU 95 9.683 13.577 4.235 825 HB3 GLU 95 HB3 GLU 95 9.914 12.619 2.944 826 HG2 GLU 95 HG2 GLU 95 8.482 13.708 1.913 827 HG3 GLU 95 HG3 GLU 95 7.358 12.695 2.645 828 H ALA 96 H ALA 96 10.787 9.909 3.869 829 HA ALA 96 HA ALA 96 11.992 10.348 6.538 830 HB1 ALA 96 HB1 ALA 96 12.401 8.053 6.869 831 HB2 ALA 96 HB2 ALA 96 12.030 7.671 5.181 832 HB3 ALA 96 HB3 ALA 96 10.733 8.142 6.291 833 H SER 97 H SER 97 14.176 10.572 6.604 834 HA SER 97 HA SER 97 15.584 10.441 4.021 835 HB2 SER 97 HB2 SER 97 17.214 12.023 5.141 836 HB3 SER 97 HB3 SER 97 15.638 12.660 4.788 837 HG SER 97 HG SER 97 15.816 11.479 7.257 838 H GLU 98 H GLU 98 17.125 8.964 3.783 839 HA GLU 98 HA GLU 98 18.442 7.895 6.188 840 HB2 GLU 98 HB2 GLU 98 17.419 6.324 3.814 841 HB3 GLU 98 HB3 GLU 98 18.425 5.644 5.060 842 HG2 GLU 98 HG2 GLU 98 16.041 6.957 6.050 843 HG3 GLU 98 HG3 GLU 98 15.793 5.496 5.096 844 H ASP 99 H ASP 99 20.106 6.075 4.623 845 HA ASP 99 HA ASP 99 22.104 7.892 3.806 846 HB2 ASP 99 HB2 ASP 99 21.911 4.906 4.052 847 HB3 ASP 99 HB3 ASP 99 23.282 5.642 3.227 848 H GLY 100 H GLY 100 19.499 7.525 2.225 849 HA2 GLY 100 HA2 GLY 100 19.309 8.060 -0.080 850 HA3 GLY 100 HA3 GLY 100 20.851 7.279 -0.393 851 H PHE 101 H PHE 101 17.439 6.722 0.259 852 HA PHE 101 HA PHE 101 17.425 3.929 0.012 853 HB2 PHE 101 HB2 PHE 101 15.526 5.936 0.427 854 HB3 PHE 101 HB3 PHE 101 15.024 5.155 -1.068 855 HD1 PHE 101 HD2 PHE 101 16.151 4.271 2.381 856 HD2 PHE 101 HD1 PHE 101 13.659 3.315 -0.930 857 HE1 PHE 101 HE2 PHE 101 15.160 2.435 3.667 858 HE2 PHE 101 HE1 PHE 101 12.639 1.513 0.315 859 HZ PHE 101 HZ PHE 101 13.403 1.037 2.661 860 HA PRO 102 HA PRO 102 18.259 2.999 -4.224 861 HB2 PRO 102 HB2 PRO 102 15.825 1.279 -4.074 862 HB3 PRO 102 HB3 PRO 102 17.462 0.871 -4.614 863 HG2 PRO 102 HG2 PRO 102 16.613 0.065 -2.240 864 HG3 PRO 102 HG3 PRO 102 18.277 0.641 -2.461 865 HD2 PRO 102 HD2 PRO 102 15.954 2.014 -1.194 866 HD3 PRO 102 HD3 PRO 102 17.684 2.074 -0.768 867 H GLU 103 H GLU 103 17.649 3.701 -6.221 868 HA GLU 103 HA GLU 103 15.473 5.547 -6.380 869 HB2 GLU 103 HB2 GLU 103 17.803 5.455 -7.648 870 HB3 GLU 103 HB3 GLU 103 16.857 4.564 -8.832 871 HG2 GLU 103 HG2 GLU 103 15.410 6.398 -9.195 872 HG3 GLU 103 HG3 GLU 103 16.043 7.262 -7.796 873 H SER 104 H SER 104 13.804 5.465 -8.065 874 HA SER 104 HA SER 104 12.299 3.086 -7.919 875 HB2 SER 104 HB2 SER 104 11.863 5.222 -9.998 876 HB3 SER 104 HB3 SER 104 10.662 4.207 -9.200 877 HG SER 104 HG SER 104 12.209 6.253 -7.984 878 H SER 105 H SER 105 14.650 4.239 -10.197 879 HA SER 105 HA SER 105 13.914 2.362 -12.263 880 HB2 SER 105 HB2 SER 105 15.514 4.706 -12.103 881 HB3 SER 105 HB3 SER 105 16.553 3.393 -12.655 882 HG SER 105 HG SER 105 15.411 3.220 -14.452 883 H GLN 106 H GLN 106 15.468 2.071 -9.363 884 HA GLN 106 HA GLN 106 16.993 -0.268 -10.304 885 HB2 GLN 106 HB2 GLN 106 17.717 1.445 -7.936 886 HB3 GLN 106 HB3 GLN 106 18.655 0.155 -8.610 887 HG2 GLN 106 HG2 GLN 106 18.699 1.607 -10.751 888 HG3 GLN 106 HG3 GLN 106 18.156 2.900 -9.682 889 HE21 GLN 106 HE21 GLN 106 20.486 0.261 -9.258 890 HE22 GLN 106 HE22 GLN 106 21.821 1.274 -8.843 891 H ILE 107 H ILE 107 14.255 0.450 -8.928 892 HA ILE 107 HA ILE 107 14.457 -1.293 -6.594 893 HB ILE 107 HB ILE 107 12.444 0.690 -7.556 894 HG12 ILE 107 HG12 ILE 107 13.284 0.112 -4.728 895 HG13 ILE 107 HG13 ILE 107 14.331 1.026 -5.809 896 HG21 ILE 107 HG21 ILE 107 10.751 -0.131 -6.006 897 HG22 ILE 107 HG22 ILE 107 11.774 -1.520 -5.599 898 HG23 ILE 107 HG23 ILE 107 11.115 -1.342 -7.234 899 HD11 ILE 107 HD11 ILE 107 11.567 1.955 -5.696 900 HD12 ILE 107 HD12 ILE 107 13.091 2.849 -5.692 901 HD13 ILE 107 HD13 ILE 107 12.484 2.104 -4.194 902 HA PRO 108 HA PRO 108 13.219 -4.844 -9.048 903 HB2 PRO 108 HB2 PRO 108 12.381 -5.795 -6.351 904 HB3 PRO 108 HB3 PRO 108 13.378 -6.603 -7.569 905 HG2 PRO 108 HG2 PRO 108 14.511 -5.554 -5.421 906 HG3 PRO 108 HG3 PRO 108 15.284 -5.415 -7.013 907 HD2 PRO 108 HD2 PRO 108 13.789 -3.355 -5.457 908 HD3 PRO 108 HD3 PRO 108 15.223 -3.175 -6.490 909 H GLU 109 H GLU 109 11.247 -6.106 -9.381 910 HA GLU 109 HA GLU 109 8.825 -4.609 -8.615 911 HB2 GLU 109 HB2 GLU 109 7.887 -5.446 -10.832 912 HB3 GLU 109 HB3 GLU 109 9.112 -4.189 -10.927 913 HG2 GLU 109 HG2 GLU 109 10.775 -5.740 -11.596 914 HG3 GLU 109 HG3 GLU 109 9.731 -7.113 -11.233 915 H ASN 110 H ASN 110 10.353 -7.231 -7.792 916 HA ASN 110 HA ASN 110 8.753 -9.443 -8.278 917 HB2 ASN 110 HB2 ASN 110 11.030 -9.087 -6.919 918 HB3 ASN 110 HB3 ASN 110 9.919 -9.166 -5.555 919 HD21 ASN 110 HD21 ASN 110 11.752 -10.928 -7.725 920 HD22 ASN 110 HD22 ASN 110 11.084 -12.492 -7.420 921 H THR 111 H THR 111 6.735 -9.931 -7.763 922 HA THR 111 HA THR 111 5.284 -8.269 -5.876 923 HB THR 111 HB THR 111 3.615 -10.342 -6.868 924 HG1 THR 111 HG1 THR 111 5.385 -9.232 -8.794 925 HG21 THR 111 HG21 THR 111 2.978 -8.001 -6.333 926 HG22 THR 111 HG22 THR 111 2.432 -8.513 -7.930 927 HG23 THR 111 HG23 THR 111 3.843 -7.469 -7.774 928 HA PRO 112 HA PRO 112 6.140 -11.280 -2.622 929 HB2 PRO 112 HB2 PRO 112 4.076 -9.650 -1.247 930 HB3 PRO 112 HB3 PRO 112 5.695 -10.119 -0.706 931 HG2 PRO 112 HG2 PRO 112 5.239 -7.633 -1.496 932 HG3 PRO 112 HG3 PRO 112 6.749 -8.462 -1.933 933 HD2 PRO 112 HD2 PRO 112 4.335 -7.946 -3.616 934 HD3 PRO 112 HD3 PRO 112 6.057 -7.855 -4.046 935 H THR 113 H THR 113 5.140 -13.160 -2.088 936 HA THR 113 HA THR 113 2.248 -13.388 -2.130 937 HB THR 113 HB THR 113 3.382 -15.588 -3.661 938 HG1 THR 113 HG1 THR 113 3.549 -14.165 -5.596 939 HG21 THR 113 HG21 THR 113 0.983 -15.133 -3.437 940 HG22 THR 113 HG22 THR 113 1.486 -15.098 -5.127 941 HG23 THR 113 HG23 THR 113 1.198 -13.589 -4.260 942 H ALA 114 H ALA 114 1.647 -14.622 -0.477 943 HA ALA 114 HA ALA 114 3.505 -15.951 1.183 944 HB1 ALA 114 HB1 ALA 114 1.559 -16.731 2.429 945 HB2 ALA 114 HB2 ALA 114 0.502 -16.227 1.111 946 HB3 ALA 114 HB3 ALA 114 1.405 -15.021 2.025 947 H ARG 115 H ARG 115 3.333 -18.271 1.815 948 HA ARG 115 HA ARG 115 3.426 -19.911 -0.576 949 HB2 ARG 115 HB2 ARG 115 4.258 -21.671 1.024 950 HB3 ARG 115 HB3 ARG 115 5.252 -20.224 0.923 951 HG2 ARG 115 HG2 ARG 115 4.130 -19.392 2.986 952 HG3 ARG 115 HG3 ARG 115 3.320 -20.955 3.111 953 HD2 ARG 115 HD2 ARG 115 5.354 -20.790 4.513 954 HD3 ARG 115 HD3 ARG 115 5.429 -22.088 3.322 955 HE ARG 115 HE ARG 115 6.729 -19.487 2.849 956 HH11 ARG 115 HH11 ARG 115 6.841 -22.967 3.034 957 HH12 ARG 115 HH12 ARG 115 8.447 -23.078 2.397 958 HH21 ARG 115 HH21 ARG 115 8.843 -19.625 2.007 959 HH22 ARG 115 HH22 ARG 115 9.586 -21.179 1.813 960 H ARG 116 H ARG 116 2.100 -21.605 -1.051 961 HA ARG 116 HA ARG 116 -0.282 -21.910 0.656 962 HB2 ARG 116 HB2 ARG 116 0.073 -22.077 -2.328 963 HB3 ARG 116 HB3 ARG 116 -1.319 -22.794 -1.530 964 HG2 ARG 116 HG2 ARG 116 -1.853 -20.568 -0.577 965 HG3 ARG 116 HG3 ARG 116 -0.531 -19.890 -1.531 966 HD2 ARG 116 HD2 ARG 116 -2.324 -21.523 -3.126 967 HD3 ARG 116 HD3 ARG 116 -3.162 -20.188 -2.337 968 HE ARG 116 HE ARG 116 -1.304 -20.019 -4.501 969 HH11 ARG 116 HH11 ARG 116 -2.564 -18.322 -1.731 970 HH12 ARG 116 HH12 ARG 116 -2.196 -16.752 -2.362 971 HH21 ARG 116 HH21 ARG 116 -0.815 -17.955 -5.341 972 HH22 ARG 116 HH22 ARG 116 -1.202 -16.543 -4.415 973 H ARG 117 H ARG 117 -1.136 -23.992 0.988 974 HA ARG 117 HA ARG 117 0.857 -26.066 1.072 975 HB2 ARG 117 HB2 ARG 117 -2.064 -26.359 1.760 976 HB3 ARG 117 HB3 ARG 117 -0.712 -27.312 2.355 977 HG2 ARG 117 HG2 ARG 117 0.117 -25.396 3.598 978 HG3 ARG 117 HG3 ARG 117 -1.200 -24.405 2.969 979 HD2 ARG 117 HD2 ARG 117 -1.900 -26.939 4.352 980 HD3 ARG 117 HD3 ARG 117 -1.335 -25.590 5.338 981 HE ARG 117 HE ARG 117 -3.296 -24.617 3.616 982 HH11 ARG 117 HH11 ARG 117 -3.026 -26.855 6.276 983 HH12 ARG 117 HH12 ARG 117 -4.653 -26.609 6.816 984 HH21 ARG 117 HH21 ARG 117 -5.438 -24.287 4.321 985 HH22 ARG 117 HH22 ARG 117 -6.025 -25.150 5.705 Start of MODEL 5 1 H5' DT 1 H5' DT 1 -15.658 2.403 11.238 2 H5'' DT 1 H5'' DT 1 -14.702 3.179 9.960 3 H4' DT 1 H4' DT 1 -16.923 1.492 9.690 4 H3' DT 1 H3' DT 1 -15.205 3.018 7.772 5 H2' DT 1 H2' DT 1 -16.825 2.712 6.029 6 H2'' DT 1 H2'' DT 1 -17.664 1.438 6.903 7 H1' DT 1 H1' DT 1 -19.081 3.187 7.582 8 H3 DT 1 H3 DT 1 -19.049 7.049 5.288 9 H71 DT 1 H71 DT 1 -15.089 7.264 8.879 10 H72 DT 1 H72 DT 1 -14.459 7.437 7.223 11 H73 DT 1 H73 DT 1 -15.581 8.652 7.880 12 H6 DT 1 H6 DT 1 -16.067 5.075 8.445 13 HO5' DT 1 HO5' DT 1 -17.046 4.478 10.409 14 H5' DT 2 H5' DT 2 -13.681 -2.411 6.208 15 H5'' DT 2 H5'' DT 2 -12.704 -1.576 7.434 16 H4' DT 2 H4' DT 2 -12.346 -1.123 4.480 17 H3' DT 2 H3' DT 2 -11.064 -3.285 6.139 18 H2' DT 2 H2' DT 2 -9.074 -2.962 4.800 19 H2'' DT 2 H2'' DT 2 -9.921 -1.941 3.645 20 H1' DT 2 H1' DT 2 -9.089 -0.237 5.127 21 H3 DT 2 H3 DT 2 -8.495 -0.354 9.884 22 H71 DT 2 H71 DT 2 -6.942 -4.770 7.203 23 H72 DT 2 H72 DT 2 -7.515 -4.919 8.881 24 H73 DT 2 H73 DT 2 -5.948 -4.150 8.541 25 H6 DT 2 H6 DT 2 -8.151 -3.153 6.050 26 H5' DT 3 H5' DT 3 -15.717 -3.980 2.361 27 H5'' DT 3 H5'' DT 3 -14.326 -5.083 2.309 28 H4' DT 3 H4' DT 3 -14.570 -3.163 0.580 29 H3' DT 3 H3' DT 3 -12.254 -4.508 1.541 30 H2' DT 3 H2' DT 3 -11.226 -2.575 2.458 31 H2'' DT 3 H2'' DT 3 -10.838 -2.267 0.770 32 H1' DT 3 H1' DT 3 -12.888 -0.983 0.435 33 H3 DT 3 H3 DT 3 -13.657 2.703 3.164 34 H71 DT 3 H71 DT 3 -9.617 1.245 5.316 35 H72 DT 3 H72 DT 3 -9.067 2.417 4.095 36 H73 DT 3 H73 DT 3 -8.719 0.685 3.883 37 H6 DT 3 H6 DT 3 -10.272 -0.610 2.636 38 H5' DT 4 H5' DT 4 -14.845 -2.734 -3.465 39 H5'' DT 4 H5'' DT 4 -13.709 -3.329 -4.693 40 H4' DT 4 H4' DT 4 -13.720 -0.846 -3.372 41 H3' DT 4 H3' DT 4 -12.214 -2.103 -5.546 42 H2' DT 4 H2' DT 4 -10.099 -1.450 -4.839 43 H2'' DT 4 H2'' DT 4 -10.673 0.199 -4.637 44 H1' DT 4 H1' DT 4 -11.050 -0.010 -2.387 45 H3 DT 4 H3 DT 4 -6.476 -1.520 -2.346 46 H71 DT 4 H71 DT 4 -8.116 -5.024 0.158 47 H72 DT 4 H72 DT 4 -9.066 -3.947 1.210 48 H73 DT 4 H73 DT 4 -9.882 -4.921 -0.037 49 H6 DT 4 H6 DT 4 -10.851 -2.924 -1.072 50 H5' DT 5 H5' DT 5 -13.339 -1.844 -8.551 51 H5'' DT 5 H5'' DT 5 -12.464 -2.985 -7.508 52 H4' DT 5 H4' DT 5 -11.686 -1.876 -10.189 53 H3' DT 5 H3' DT 5 -12.925 -4.194 -9.788 54 H2' DT 5 H2' DT 5 -11.467 -5.198 -8.193 55 H2'' DT 5 H2'' DT 5 -10.730 -5.793 -9.674 56 H1' DT 5 H1' DT 5 -8.974 -4.232 -9.615 57 H3 DT 5 H3 DT 5 -6.302 -4.767 -6.092 58 H71 DT 5 H71 DT 5 -9.753 -4.645 -3.085 59 H72 DT 5 H72 DT 5 -11.217 -4.700 -4.096 60 H73 DT 5 H73 DT 5 -10.463 -3.136 -3.707 61 H6 DT 5 H6 DT 5 -10.985 -4.002 -6.506 62 H5' DT 6 H5' DT 6 -10.151 -5.576 -13.917 63 H5'' DT 6 H5'' DT 6 -9.621 -7.201 -13.431 64 H4' DT 6 H4' DT 6 -9.182 -4.703 -11.798 65 H3' DT 6 H3' DT 6 -7.478 -5.832 -13.974 66 HO3' DT 6 HO3' DT 6 -8.562 -3.548 -13.293 67 H2' DT 6 H2' DT 6 -5.496 -5.601 -12.632 68 H2'' DT 6 H2'' DT 6 -6.298 -4.561 -11.462 69 H1' DT 6 H1' DT 6 -6.545 -6.622 -10.308 70 H3 DT 6 H3 DT 6 -3.999 -9.931 -12.236 71 H71 DT 6 H71 DT 6 -8.985 -10.036 -14.259 72 H72 DT 6 H72 DT 6 -8.549 -11.470 -13.300 73 H73 DT 6 H73 DT 6 -7.696 -11.125 -14.824 74 H6 DT 6 H6 DT 6 -8.450 -8.295 -12.747 75 H1 MET 1 H MET 1 11.634 -2.553 14.824 76 H1 MET 1 HT1 MET 1 11.239 -1.477 13.581 77 H2 MET 1 H2 MET 1 11.788 -3.032 13.210 78 HA MET 1 HA MET 1 9.833 -4.018 14.158 79 HB2 MET 1 HB2 MET 1 9.099 -1.145 14.740 80 HB3 MET 1 HB3 MET 1 7.955 -2.478 14.820 81 HG2 MET 1 HG2 MET 1 10.086 -3.326 16.367 82 HG3 MET 1 HG3 MET 1 9.932 -1.610 16.742 83 HE1 MET 1 HE1 MET 1 9.610 -3.337 19.135 84 HE2 MET 1 HE2 MET 1 9.185 -4.771 18.198 85 HE3 MET 1 HE3 MET 1 8.073 -4.154 19.422 86 H GLU 2 H GLU 2 10.967 -2.600 11.663 87 HA GLU 2 HA GLU 2 8.439 -2.567 10.152 88 HB2 GLU 2 HB2 GLU 2 9.878 -1.171 8.486 89 HB3 GLU 2 HB3 GLU 2 9.194 -0.390 9.904 90 HG2 GLU 2 HG2 GLU 2 11.782 -1.475 10.516 91 HG3 GLU 2 HG3 GLU 2 11.867 -0.431 9.098 92 H GLU 3 H GLU 3 8.217 -4.017 8.574 93 HA GLU 3 HA GLU 3 10.504 -5.726 7.952 94 HB2 GLU 3 HB2 GLU 3 8.974 -7.368 7.255 95 HB3 GLU 3 HB3 GLU 3 8.235 -6.639 8.674 96 HG2 GLU 3 HG2 GLU 3 7.063 -5.118 6.883 97 HG3 GLU 3 HG3 GLU 3 7.430 -6.474 5.818 98 H LYS 4 H LYS 4 10.481 -6.626 5.623 99 HA LYS 4 HA LYS 4 10.529 -4.258 3.815 100 HB2 LYS 4 HB2 LYS 4 11.785 -5.984 2.349 101 HB3 LYS 4 HB3 LYS 4 12.606 -5.246 3.717 102 HG2 LYS 4 HG2 LYS 4 11.190 -7.797 4.202 103 HG3 LYS 4 HG3 LYS 4 12.669 -7.855 3.242 104 HD2 LYS 4 HD2 LYS 4 12.800 -6.240 5.707 105 HD3 LYS 4 HD3 LYS 4 12.612 -7.979 5.941 106 HE2 LYS 4 HE2 LYS 4 14.537 -7.944 4.047 107 HE3 LYS 4 HE3 LYS 4 14.895 -6.439 4.891 108 HZ1 LYS 4 HZ1 LYS 4 14.663 -9.117 6.154 109 HZ2 LYS 4 HZ2 LYS 4 15.009 -7.674 6.966 110 HZ3 LYS 4 HZ3 LYS 4 16.108 -8.295 5.840 111 H VAL 5 H VAL 5 10.106 -4.891 1.451 112 HA VAL 5 HA VAL 5 7.382 -5.730 1.270 113 HB VAL 5 HB VAL 5 9.367 -5.158 -0.938 114 HG11 VAL 5 HG11 VAL 5 7.560 -6.437 -1.832 115 HG12 VAL 5 HG12 VAL 5 7.312 -4.749 -2.291 116 HG13 VAL 5 HG13 VAL 5 6.372 -5.453 -0.975 117 HG21 VAL 5 HG21 VAL 5 7.292 -3.373 0.329 118 HG22 VAL 5 HG22 VAL 5 8.319 -2.954 -1.041 119 HG23 VAL 5 HG23 VAL 5 9.038 -3.244 0.543 120 H GLY 6 H GLY 6 10.496 -7.185 0.493 121 HA2 GLY 6 HA2 GLY 6 9.353 -9.462 -0.834 122 HA3 GLY 6 HA3 GLY 6 11.034 -9.264 -0.360 123 H ASN 7 H ASN 7 9.165 -8.635 2.304 124 HA ASN 7 HA ASN 7 9.190 -11.447 3.169 125 HB2 ASN 7 HB2 ASN 7 11.041 -9.807 4.053 126 HB3 ASN 7 HB3 ASN 7 9.753 -9.248 5.115 127 HD21 ASN 7 HD21 ASN 7 10.262 -10.036 7.029 128 HD22 ASN 7 HD22 ASN 7 10.609 -11.661 7.376 129 H LEU 8 H LEU 8 7.268 -8.887 2.524 130 HA LEU 8 HA LEU 8 5.565 -8.930 4.848 131 HB2 LEU 8 HB2 LEU 8 4.456 -7.193 3.894 132 HB3 LEU 8 HB3 LEU 8 5.949 -7.072 2.987 133 HG LEU 8 HG LEU 8 4.536 -8.758 1.393 134 HD11 LEU 8 HD11 LEU 8 2.396 -8.816 2.033 135 HD12 LEU 8 HD12 LEU 8 2.309 -7.123 1.425 136 HD13 LEU 8 HD13 LEU 8 2.633 -7.442 3.150 137 HD21 LEU 8 HD21 LEU 8 5.699 -6.876 0.541 138 HD22 LEU 8 HD22 LEU 8 4.644 -5.755 1.403 139 HD23 LEU 8 HD23 LEU 8 4.009 -6.704 0.061 140 H LYS 9 H LYS 9 3.377 -9.737 4.889 141 HA LYS 9 HA LYS 9 2.621 -11.607 2.849 142 HB2 LYS 9 HB2 LYS 9 2.089 -13.174 4.371 143 HB3 LYS 9 HB3 LYS 9 3.668 -12.686 4.739 144 HG2 LYS 9 HG2 LYS 9 3.035 -12.213 6.852 145 HG3 LYS 9 HG3 LYS 9 1.763 -11.195 6.224 146 HD2 LYS 9 HD2 LYS 9 0.425 -12.710 7.268 147 HD3 LYS 9 HD3 LYS 9 0.660 -13.598 5.761 148 HE2 LYS 9 HE2 LYS 9 1.458 -15.268 6.998 149 HE3 LYS 9 HE3 LYS 9 2.874 -14.261 7.291 150 HZ1 LYS 9 HZ1 LYS 9 1.790 -13.383 9.267 151 HZ2 LYS 9 HZ2 LYS 9 1.929 -15.066 9.356 152 HZ3 LYS 9 HZ3 LYS 9 0.437 -14.361 8.986 153 HA PRO 10 HA PRO 10 -1.296 -9.595 3.204 154 HB2 PRO 10 HB2 PRO 10 -2.971 -11.455 2.227 155 HB3 PRO 10 HB3 PRO 10 -1.812 -10.609 1.229 156 HG2 PRO 10 HG2 PRO 10 -1.659 -13.354 2.389 157 HG3 PRO 10 HG3 PRO 10 -1.161 -12.809 0.775 158 HD2 PRO 10 HD2 PRO 10 0.657 -13.142 2.840 159 HD3 PRO 10 HD3 PRO 10 0.856 -12.059 1.498 160 H ASN 11 H ASN 11 -3.446 -9.760 4.142 161 HA ASN 11 HA ASN 11 -4.971 -10.275 5.783 162 HB2 ASN 11 HB2 ASN 11 -3.576 -12.834 5.405 163 HB3 ASN 11 HB3 ASN 11 -4.316 -12.640 6.992 164 HD21 ASN 11 HD21 ASN 11 -4.916 -12.610 3.533 165 HD22 ASN 11 HD22 ASN 11 -6.622 -12.980 3.640 166 H MET 12 H MET 12 -2.343 -8.908 6.348 167 HA MET 12 HA MET 12 -2.152 -9.447 9.185 168 HB2 MET 12 HB2 MET 12 -0.318 -7.986 7.283 169 HB3 MET 12 HB3 MET 12 -0.096 -8.101 8.974 170 HG2 MET 12 HG2 MET 12 -0.374 -10.711 8.345 171 HG3 MET 12 HG3 MET 12 0.389 -10.036 6.916 172 HE1 MET 12 HE1 MET 12 2.843 -9.249 6.743 173 HE2 MET 12 HE2 MET 12 3.808 -8.785 8.157 174 HE3 MET 12 HE3 MET 12 2.350 -7.889 7.752 175 H GLU 13 H GLU 13 -3.018 -8.066 10.588 176 HA GLU 13 HA GLU 13 -4.225 -5.624 9.620 177 HB2 GLU 13 HB2 GLU 13 -4.197 -6.211 12.525 178 HB3 GLU 13 HB3 GLU 13 -5.515 -5.663 11.499 179 HG2 GLU 13 HG2 GLU 13 -5.273 -8.115 10.523 180 HG3 GLU 13 HG3 GLU 13 -4.611 -8.413 12.130 181 H SER 14 H SER 14 -1.201 -6.139 10.036 182 HA SER 14 HA SER 14 -0.613 -3.455 10.896 183 HB2 SER 14 HB2 SER 14 1.144 -4.419 12.572 184 HB3 SER 14 HB3 SER 14 -0.534 -4.264 13.085 185 HG SER 14 HG SER 14 0.718 -6.620 12.123 186 H VAL 15 H VAL 15 0.767 -2.789 9.391 187 HA VAL 15 HA VAL 15 3.020 -4.515 8.671 188 HB VAL 15 HB VAL 15 1.872 -3.018 6.400 189 HG11 VAL 15 HG11 VAL 15 2.562 -5.028 5.183 190 HG12 VAL 15 HG12 VAL 15 2.986 -5.803 6.710 191 HG13 VAL 15 HG13 VAL 15 3.872 -4.378 6.168 192 HG21 VAL 15 HG21 VAL 15 -0.022 -4.212 6.042 193 HG22 VAL 15 HG22 VAL 15 -0.006 -4.308 7.803 194 HG23 VAL 15 HG23 VAL 15 0.605 -5.654 6.840 195 H ASN 16 H ASN 16 4.730 -3.372 9.228 196 HA ASN 16 HA ASN 16 4.799 -0.478 8.722 197 HB2 ASN 16 HB2 ASN 16 5.481 -1.977 10.965 198 HB3 ASN 16 HB3 ASN 16 6.974 -1.383 10.270 199 HD21 ASN 16 HD21 ASN 16 6.570 1.008 9.426 200 HD22 ASN 16 HD22 ASN 16 5.946 2.050 10.675 201 H VAL 17 H VAL 17 6.119 0.289 7.154 202 HA VAL 17 HA VAL 17 8.528 -1.137 6.443 203 HB VAL 17 HB VAL 17 7.142 -2.522 5.223 204 HG11 VAL 17 HG11 VAL 17 5.184 -0.823 5.488 205 HG12 VAL 17 HG12 VAL 17 5.168 -1.994 4.147 206 HG13 VAL 17 HG13 VAL 17 5.663 -0.329 3.848 207 HG21 VAL 17 HG21 VAL 17 8.972 -1.825 3.822 208 HG22 VAL 17 HG22 VAL 17 8.115 -0.356 3.362 209 HG23 VAL 17 HG23 VAL 17 7.536 -1.924 2.804 210 H THR 18 H THR 18 9.866 -0.010 4.983 211 HA THR 18 HA THR 18 9.129 2.798 4.508 212 HB THR 18 HB THR 18 12.007 2.166 4.503 213 HG1 THR 18 HG1 THR 18 12.006 2.221 6.878 214 HG21 THR 18 HG21 THR 18 10.219 4.387 5.093 215 HG22 THR 18 HG22 THR 18 11.903 4.405 4.546 216 HG23 THR 18 HG23 THR 18 11.523 4.230 6.268 217 H VAL 19 H VAL 19 9.253 3.465 2.368 218 HA VAL 19 HA VAL 19 10.755 2.005 0.468 219 HB VAL 19 HB VAL 19 8.862 1.590 -1.067 220 HG11 VAL 19 HG11 VAL 19 9.616 -0.229 0.205 221 HG12 VAL 19 HG12 VAL 19 7.815 -0.182 0.052 222 HG13 VAL 19 HG13 VAL 19 8.653 0.342 1.622 223 HG21 VAL 19 HG21 VAL 19 7.221 3.140 -0.422 224 HG22 VAL 19 HG22 VAL 19 7.269 2.618 1.260 225 HG23 VAL 19 HG23 VAL 19 6.555 1.570 0.033 226 H ARG 20 H ARG 20 10.076 2.953 -1.825 227 HA ARG 20 HA ARG 20 9.883 5.821 -1.530 228 HB2 ARG 20 HB2 ARG 20 12.084 4.809 -2.296 229 HB3 ARG 20 HB3 ARG 20 11.298 4.418 -3.791 230 HG2 ARG 20 HG2 ARG 20 11.997 6.473 -4.465 231 HG3 ARG 20 HG3 ARG 20 10.743 7.123 -3.406 232 HD2 ARG 20 HD2 ARG 20 12.314 7.261 -1.575 233 HD3 ARG 20 HD3 ARG 20 13.565 6.497 -2.550 234 HE ARG 20 HE ARG 20 12.454 9.182 -3.040 235 HH11 ARG 20 HH11 ARG 20 15.034 6.846 -3.287 236 HH12 ARG 20 HH12 ARG 20 16.155 7.969 -3.981 237 HH21 ARG 20 HH21 ARG 20 13.925 10.664 -3.953 238 HH22 ARG 20 HH22 ARG 20 15.525 10.139 -4.360 239 H VAL 21 H VAL 21 8.756 7.015 -3.194 240 HA VAL 21 HA VAL 21 6.412 5.573 -4.132 241 HB VAL 21 HB VAL 21 7.305 8.426 -4.899 242 HG11 VAL 21 HG11 VAL 21 4.915 8.777 -5.229 243 HG12 VAL 21 HG12 VAL 21 4.634 7.070 -4.888 244 HG13 VAL 21 HG13 VAL 21 5.563 7.544 -6.311 245 HG21 VAL 21 HG21 VAL 21 5.962 9.200 -3.045 246 HG22 VAL 21 HG22 VAL 21 7.292 8.188 -2.481 247 HG23 VAL 21 HG23 VAL 21 5.659 7.531 -2.564 248 H LEU 22 H LEU 22 6.148 4.635 -6.025 249 HA LEU 22 HA LEU 22 8.143 4.982 -8.142 250 HB2 LEU 22 HB2 LEU 22 6.144 2.746 -7.855 251 HB3 LEU 22 HB3 LEU 22 7.528 2.801 -8.885 252 HG LEU 22 HG LEU 22 7.532 2.525 -5.911 253 HD11 LEU 22 HD11 LEU 22 8.665 0.678 -7.994 254 HD12 LEU 22 HD12 LEU 22 7.038 0.517 -7.339 255 HD13 LEU 22 HD13 LEU 22 8.433 0.366 -6.274 256 HD21 LEU 22 HD21 LEU 22 9.954 2.651 -7.698 257 HD22 LEU 22 HD22 LEU 22 9.898 2.552 -5.940 258 HD23 LEU 22 HD23 LEU 22 9.359 4.016 -6.749 259 H GLU 23 H GLU 23 4.859 5.341 -7.276 260 HA GLU 23 HA GLU 23 4.301 6.869 -9.692 261 HB2 GLU 23 HB2 GLU 23 3.941 4.310 -10.179 262 HB3 GLU 23 HB3 GLU 23 2.448 4.552 -9.282 263 HG2 GLU 23 HG2 GLU 23 1.545 5.160 -11.217 264 HG3 GLU 23 HG3 GLU 23 2.465 6.654 -11.060 265 H ALA 24 H ALA 24 1.986 7.688 -9.662 266 HA ALA 24 HA ALA 24 0.555 7.547 -7.184 267 HB1 ALA 24 HB1 ALA 24 1.969 10.128 -7.863 268 HB2 ALA 24 HB2 ALA 24 2.358 9.054 -6.518 269 HB3 ALA 24 HB3 ALA 24 0.811 9.899 -6.553 270 H SER 25 H SER 25 -1.535 7.832 -7.606 271 HA SER 25 HA SER 25 -2.268 9.294 -10.062 272 HB2 SER 25 HB2 SER 25 -2.800 6.677 -9.534 273 HB3 SER 25 HB3 SER 25 -4.259 7.445 -8.908 274 HG SER 25 HG SER 25 -3.935 6.835 -11.330 275 H GLU 26 H GLU 26 -4.184 10.593 -10.009 276 HA GLU 26 HA GLU 26 -4.467 12.109 -7.657 277 HB2 GLU 26 HB2 GLU 26 -6.414 12.036 -9.963 278 HB3 GLU 26 HB3 GLU 26 -6.112 13.350 -8.850 279 HG2 GLU 26 HG2 GLU 26 -4.044 12.313 -10.749 280 HG3 GLU 26 HG3 GLU 26 -5.145 13.635 -11.136 281 H ALA 27 H ALA 27 -6.332 12.417 -6.389 282 HA ALA 27 HA ALA 27 -7.400 9.917 -5.538 283 HB1 ALA 27 HB1 ALA 27 -8.221 11.196 -3.650 284 HB2 ALA 27 HB2 ALA 27 -7.821 12.698 -4.487 285 HB3 ALA 27 HB3 ALA 27 -6.519 11.578 -4.014 286 H ARG 28 H ARG 28 -9.217 9.004 -6.013 287 HA ARG 28 HA ARG 28 -11.383 10.556 -7.276 288 HB2 ARG 28 HB2 ARG 28 -10.472 9.387 -9.080 289 HB3 ARG 28 HB3 ARG 28 -10.067 7.989 -8.102 290 HG2 ARG 28 HG2 ARG 28 -12.774 7.958 -7.947 291 HG3 ARG 28 HG3 ARG 28 -12.530 8.629 -9.560 292 HD2 ARG 28 HD2 ARG 28 -11.331 6.736 -10.281 293 HD3 ARG 28 HD3 ARG 28 -11.096 6.158 -8.631 294 HE ARG 28 HE ARG 28 -13.810 6.277 -9.739 295 HH11 ARG 28 HH11 ARG 28 -11.112 4.380 -8.584 296 HH12 ARG 28 HH12 ARG 28 -12.037 2.924 -8.440 297 HH21 ARG 28 HH21 ARG 28 -15.024 4.355 -9.548 298 HH22 ARG 28 HH22 ARG 28 -14.253 2.908 -8.985 299 H GLN 29 H GLN 29 -13.522 9.584 -7.091 300 HA GLN 29 HA GLN 29 -13.972 8.417 -4.475 301 HB2 GLN 29 HB2 GLN 29 -15.776 9.594 -6.577 302 HB3 GLN 29 HB3 GLN 29 -16.414 8.761 -5.169 303 HG2 GLN 29 HG2 GLN 29 -15.166 10.359 -3.748 304 HG3 GLN 29 HG3 GLN 29 -14.739 11.250 -5.205 305 HE21 GLN 29 HE21 GLN 29 -16.309 12.096 -2.891 306 HE22 GLN 29 HE22 GLN 29 -17.847 12.582 -3.507 307 H ILE 30 H ILE 30 -14.801 6.416 -4.076 308 HA ILE 30 HA ILE 30 -15.421 4.715 -6.402 309 HB ILE 30 HB ILE 30 -14.468 2.806 -5.336 310 HG12 ILE 30 HG12 ILE 30 -13.713 4.449 -2.936 311 HG13 ILE 30 HG13 ILE 30 -15.267 3.619 -3.040 312 HG21 ILE 30 HG21 ILE 30 -12.663 5.206 -5.177 313 HG22 ILE 30 HG22 ILE 30 -12.738 3.965 -6.430 314 HG23 ILE 30 HG23 ILE 30 -12.077 3.571 -4.836 315 HD11 ILE 30 HD11 ILE 30 -14.205 1.493 -3.132 316 HD12 ILE 30 HD12 ILE 30 -13.457 2.391 -1.811 317 HD13 ILE 30 HD13 ILE 30 -12.617 2.228 -3.353 318 H GLN 31 H GLN 31 -16.925 2.928 -5.846 319 HA GLN 31 HA GLN 31 -18.849 3.755 -3.786 320 HB2 GLN 31 HB2 GLN 31 -19.273 2.479 -6.481 321 HB3 GLN 31 HB3 GLN 31 -20.511 2.442 -5.234 322 HG2 GLN 31 HG2 GLN 31 -20.592 4.862 -5.204 323 HG3 GLN 31 HG3 GLN 31 -19.291 4.938 -6.391 324 HE21 GLN 31 HE21 GLN 31 -19.716 4.428 -8.530 325 HE22 GLN 31 HE22 GLN 31 -21.322 4.307 -9.153 326 H THR 32 H THR 32 -18.763 2.480 -2.075 327 HA THR 32 HA THR 32 -18.162 -0.380 -2.447 328 HB THR 32 HB THR 32 -17.464 -0.449 -0.125 329 HG1 THR 32 HG1 THR 32 -18.627 2.067 -0.109 330 HG21 THR 32 HG21 THR 32 -16.253 1.586 -1.943 331 HG22 THR 32 HG22 THR 32 -15.642 0.001 -1.471 332 HG23 THR 32 HG23 THR 32 -15.580 1.350 -0.328 333 H LYS 33 H LYS 33 -19.011 -1.496 -0.210 334 HA LYS 33 HA LYS 33 -21.873 -1.480 -0.533 335 HB2 LYS 33 HB2 LYS 33 -21.836 -3.409 0.977 336 HB3 LYS 33 HB3 LYS 33 -20.658 -3.598 -0.315 337 HG2 LYS 33 HG2 LYS 33 -18.853 -3.075 1.146 338 HG3 LYS 33 HG3 LYS 33 -19.960 -2.589 2.430 339 HD2 LYS 33 HD2 LYS 33 -20.827 -4.943 2.445 340 HD3 LYS 33 HD3 LYS 33 -19.517 -5.363 1.339 341 HE2 LYS 33 HE2 LYS 33 -17.878 -4.616 2.989 342 HE3 LYS 33 HE3 LYS 33 -19.180 -4.172 4.090 343 HZ1 LYS 33 HZ1 LYS 33 -18.529 -6.908 3.140 344 HZ2 LYS 33 HZ2 LYS 33 -19.867 -6.518 4.100 345 HZ3 LYS 33 HZ3 LYS 33 -18.302 -6.301 4.703 346 H ASN 34 H ASN 34 -19.691 0.214 1.332 347 HA ASN 34 HA ASN 34 -21.636 0.619 3.511 348 HB2 ASN 34 HB2 ASN 34 -18.649 1.096 3.454 349 HB3 ASN 34 HB3 ASN 34 -19.698 1.568 4.787 350 HD21 ASN 34 HD21 ASN 34 -20.668 -0.042 6.053 351 HD22 ASN 34 HD22 ASN 34 -20.042 -1.651 6.098 352 H GLY 35 H GLY 35 -21.012 1.911 0.675 353 HA2 GLY 35 HA2 GLY 35 -22.211 4.047 0.281 354 HA3 GLY 35 HA3 GLY 35 -21.314 4.689 1.647 355 H VAL 36 H VAL 36 -20.506 6.378 0.310 356 HA VAL 36 HA VAL 36 -18.540 5.467 -1.672 357 HB VAL 36 HB VAL 36 -20.243 6.845 -2.682 358 HG11 VAL 36 HG11 VAL 36 -20.547 9.199 -2.054 359 HG12 VAL 36 HG12 VAL 36 -19.418 8.984 -0.715 360 HG13 VAL 36 HG13 VAL 36 -20.952 8.115 -0.723 361 HG21 VAL 36 HG21 VAL 36 -17.665 8.386 -2.452 362 HG22 VAL 36 HG22 VAL 36 -18.848 8.503 -3.754 363 HG23 VAL 36 HG23 VAL 36 -17.943 7.006 -3.514 364 H ARG 37 H ARG 37 -16.503 6.097 -1.624 365 HA ARG 37 HA ARG 37 -15.482 7.863 0.480 366 HB2 ARG 37 HB2 ARG 37 -13.697 6.268 0.782 367 HB3 ARG 37 HB3 ARG 37 -15.199 5.930 1.573 368 HG2 ARG 37 HG2 ARG 37 -14.742 4.706 -1.092 369 HG3 ARG 37 HG3 ARG 37 -13.925 4.006 0.306 370 HD2 ARG 37 HD2 ARG 37 -16.842 4.630 0.388 371 HD3 ARG 37 HD3 ARG 37 -16.258 3.135 -0.335 372 HE ARG 37 HE ARG 37 -15.204 2.676 1.870 373 HH11 ARG 37 HH11 ARG 37 -17.920 4.868 1.689 374 HH12 ARG 37 HH12 ARG 37 -18.429 4.569 3.316 375 HH21 ARG 37 HH21 ARG 37 -15.869 2.288 4.008 376 HH22 ARG 37 HH22 ARG 37 -17.266 3.104 4.630 377 H THR 38 H THR 38 -13.087 8.226 0.145 378 HA THR 38 HA THR 38 -12.676 8.647 -2.742 379 HB THR 38 HB THR 38 -11.238 10.643 -1.843 380 HG1 THR 38 HG1 THR 38 -11.717 11.338 0.116 381 HG21 THR 38 HG21 THR 38 -14.244 10.816 -1.965 382 HG22 THR 38 HG22 THR 38 -13.150 10.880 -3.347 383 HG23 THR 38 HG23 THR 38 -13.120 12.164 -2.138 384 H ILE 39 H ILE 39 -11.149 7.310 -3.315 385 HA ILE 39 HA ILE 39 -8.776 7.154 -1.594 386 HB ILE 39 HB ILE 39 -8.598 4.767 -2.182 387 HG12 ILE 39 HG12 ILE 39 -11.441 4.625 -2.902 388 HG13 ILE 39 HG13 ILE 39 -10.414 5.358 -4.134 389 HG21 ILE 39 HG21 ILE 39 -9.577 4.464 -0.221 390 HG22 ILE 39 HG22 ILE 39 -11.164 4.599 -0.978 391 HG23 ILE 39 HG23 ILE 39 -10.350 6.040 -0.376 392 HD11 ILE 39 HD11 ILE 39 -8.930 3.231 -3.588 393 HD12 ILE 39 HD12 ILE 39 -10.263 3.174 -4.737 394 HD13 ILE 39 HD13 ILE 39 -10.496 2.594 -3.088 395 H SER 40 H SER 40 -7.002 5.973 -2.818 396 HA SER 40 HA SER 40 -7.007 6.363 -5.672 397 HB2 SER 40 HB2 SER 40 -6.396 8.598 -4.622 398 HB3 SER 40 HB3 SER 40 -4.911 7.812 -4.061 399 HG SER 40 HG SER 40 -5.335 8.892 -6.397 400 H GLU 41 H GLU 41 -4.872 5.701 -6.600 401 HA GLU 41 HA GLU 41 -3.640 3.683 -4.891 402 HB2 GLU 41 HB2 GLU 41 -5.335 3.057 -6.810 403 HB3 GLU 41 HB3 GLU 41 -3.930 3.300 -7.829 404 HG2 GLU 41 HG2 GLU 41 -3.531 1.587 -5.468 405 HG3 GLU 41 HG3 GLU 41 -4.617 0.952 -6.704 406 H ALA 42 H ALA 42 -1.483 3.622 -4.876 407 HA ALA 42 HA ALA 42 0.062 5.090 -6.905 408 HB1 ALA 42 HB1 ALA 42 -0.364 6.634 -5.045 409 HB2 ALA 42 HB2 ALA 42 1.346 6.234 -5.201 410 HB3 ALA 42 HB3 ALA 42 0.377 5.484 -3.932 411 H ILE 43 H ILE 43 1.841 3.993 -7.496 412 HA ILE 43 HA ILE 43 2.423 1.478 -6.213 413 HB ILE 43 HB ILE 43 3.838 2.756 -8.553 414 HG12 ILE 43 HG12 ILE 43 1.509 2.540 -9.123 415 HG13 ILE 43 HG13 ILE 43 2.387 1.245 -9.931 416 HG21 ILE 43 HG21 ILE 43 4.663 0.581 -9.068 417 HG22 ILE 43 HG22 ILE 43 3.674 -0.158 -7.809 418 HG23 ILE 43 HG23 ILE 43 5.019 0.894 -7.370 419 HD11 ILE 43 HD11 ILE 43 1.695 -0.254 -8.041 420 HD12 ILE 43 HD12 ILE 43 0.388 0.318 -9.080 421 HD13 ILE 43 HD13 ILE 43 0.646 1.056 -7.497 422 H VAL 44 H VAL 44 3.930 1.119 -4.788 423 HA VAL 44 HA VAL 44 6.312 2.805 -4.469 424 HB VAL 44 HB VAL 44 6.091 1.606 -1.935 425 HG11 VAL 44 HG11 VAL 44 5.116 4.143 -3.105 426 HG12 VAL 44 HG12 VAL 44 5.649 3.838 -1.444 427 HG13 VAL 44 HG13 VAL 44 3.950 3.526 -1.920 428 HG21 VAL 44 HG21 VAL 44 4.067 0.472 -2.862 429 HG22 VAL 44 HG22 VAL 44 3.356 2.082 -3.061 430 HG23 VAL 44 HG23 VAL 44 3.745 1.482 -1.445 431 H GLY 45 H GLY 45 7.957 1.684 -3.350 432 HA2 GLY 45 HA2 GLY 45 8.016 -0.973 -2.686 433 HA3 GLY 45 HA3 GLY 45 8.535 -0.950 -4.364 434 H ASP 46 H ASP 46 10.249 -1.963 -2.595 435 HA ASP 46 HA ASP 46 12.303 0.132 -2.359 436 HB2 ASP 46 HB2 ASP 46 13.146 -1.044 -0.331 437 HB3 ASP 46 HB3 ASP 46 11.536 -0.369 -0.118 438 H GLU 47 H GLU 47 14.384 -1.501 -1.551 439 HA GLU 47 HA GLU 47 15.124 -2.706 -4.024 440 HB2 GLU 47 HB2 GLU 47 17.218 -3.344 -2.731 441 HB3 GLU 47 HB3 GLU 47 16.872 -1.627 -2.867 442 HG2 GLU 47 HG2 GLU 47 16.720 -1.385 -0.662 443 HG3 GLU 47 HG3 GLU 47 15.686 -2.802 -0.497 444 H THR 48 H THR 48 13.173 -3.862 -1.648 445 HA THR 48 HA THR 48 14.147 -6.624 -1.902 446 HB THR 48 HB THR 48 13.030 -7.148 0.068 447 HG1 THR 48 HG1 THR 48 11.143 -5.610 -0.833 448 HG21 THR 48 HG21 THR 48 14.896 -5.378 0.256 449 HG22 THR 48 HG22 THR 48 13.874 -5.673 1.661 450 HG23 THR 48 HG23 THR 48 13.586 -4.263 0.643 451 H GLY 49 H GLY 49 12.088 -4.673 -3.549 452 HA2 GLY 49 HA2 GLY 49 10.925 -6.298 -5.230 453 HA3 GLY 49 HA3 GLY 49 9.958 -6.657 -3.810 454 H ARG 50 H ARG 50 8.067 -5.901 -4.690 455 HA ARG 50 HA ARG 50 7.662 -3.078 -4.565 456 HB2 ARG 50 HB2 ARG 50 8.418 -3.289 -6.862 457 HB3 ARG 50 HB3 ARG 50 7.277 -4.600 -7.144 458 HG2 ARG 50 HG2 ARG 50 5.550 -2.769 -6.365 459 HG3 ARG 50 HG3 ARG 50 6.816 -1.692 -6.949 460 HD2 ARG 50 HD2 ARG 50 5.877 -4.001 -8.610 461 HD3 ARG 50 HD3 ARG 50 4.960 -2.498 -8.572 462 HE ARG 50 HE ARG 50 7.802 -2.391 -9.239 463 HH11 ARG 50 HH11 ARG 50 4.476 -2.105 -10.259 464 HH12 ARG 50 HH12 ARG 50 4.871 -1.325 -11.753 465 HH21 ARG 50 HH21 ARG 50 8.324 -1.366 -11.203 466 HH22 ARG 50 HH22 ARG 50 7.056 -0.907 -12.290 467 H VAL 51 H VAL 51 5.581 -2.585 -4.197 468 HA VAL 51 HA VAL 51 3.495 -4.577 -4.393 469 HB VAL 51 HB VAL 51 4.354 -5.068 -2.205 470 HG11 VAL 51 HG11 VAL 51 4.068 -2.126 -1.597 471 HG12 VAL 51 HG12 VAL 51 5.584 -3.004 -1.792 472 HG13 VAL 51 HG13 VAL 51 4.517 -3.376 -0.439 473 HG21 VAL 51 HG21 VAL 51 1.879 -3.383 -2.045 474 HG22 VAL 51 HG22 VAL 51 2.401 -4.532 -0.813 475 HG23 VAL 51 HG23 VAL 51 1.957 -5.101 -2.422 476 H LYS 52 H LYS 52 1.561 -3.688 -4.876 477 HA LYS 52 HA LYS 52 1.327 -0.940 -5.462 478 HB2 LYS 52 HB2 LYS 52 -1.067 -2.701 -5.078 479 HB3 LYS 52 HB3 LYS 52 -0.811 -1.436 -6.271 480 HG2 LYS 52 HG2 LYS 52 1.130 -3.531 -6.615 481 HG3 LYS 52 HG3 LYS 52 -0.500 -4.202 -6.601 482 HD2 LYS 52 HD2 LYS 52 -1.177 -2.814 -8.403 483 HD3 LYS 52 HD3 LYS 52 0.288 -1.837 -8.288 484 HE2 LYS 52 HE2 LYS 52 0.436 -3.349 -10.180 485 HE3 LYS 52 HE3 LYS 52 1.626 -3.790 -8.954 486 HZ1 LYS 52 HZ1 LYS 52 0.158 -5.552 -8.206 487 HZ2 LYS 52 HZ2 LYS 52 0.483 -5.732 -9.856 488 HZ3 LYS 52 HZ3 LYS 52 -1.008 -5.114 -9.350 489 H LEU 53 H LEU 53 0.645 0.766 -4.265 490 HA LEU 53 HA LEU 53 -0.321 0.240 -1.539 491 HB2 LEU 53 HB2 LEU 53 1.770 1.659 -2.021 492 HB3 LEU 53 HB3 LEU 53 0.658 2.891 -2.569 493 HG LEU 53 HG LEU 53 1.562 3.069 -0.183 494 HD11 LEU 53 HD11 LEU 53 -0.300 4.414 -0.998 495 HD12 LEU 53 HD12 LEU 53 -0.532 3.945 0.687 496 HD13 LEU 53 HD13 LEU 53 -1.424 3.115 -0.590 497 HD21 LEU 53 HD21 LEU 53 0.417 1.806 1.524 498 HD22 LEU 53 HD22 LEU 53 1.237 0.712 0.411 499 HD23 LEU 53 HD23 LEU 53 -0.509 0.938 0.300 500 H THR 54 H THR 54 -2.193 1.064 -0.810 501 HA THR 54 HA THR 54 -3.871 2.579 -2.640 502 HB THR 54 HB THR 54 -5.131 0.536 -0.850 503 HG1 THR 54 HG1 THR 54 -3.803 0.127 -3.312 504 HG21 THR 54 HG21 THR 54 -6.295 0.994 -3.441 505 HG22 THR 54 HG22 THR 54 -5.983 2.523 -2.630 506 HG23 THR 54 HG23 THR 54 -6.981 1.303 -1.849 507 H LEU 55 H LEU 55 -4.092 4.443 -1.720 508 HA LEU 55 HA LEU 55 -4.062 4.864 1.113 509 HB2 LEU 55 HB2 LEU 55 -4.864 6.892 -0.893 510 HB3 LEU 55 HB3 LEU 55 -3.913 7.094 0.548 511 HG LEU 55 HG LEU 55 -2.523 5.345 -1.220 512 HD11 LEU 55 HD11 LEU 55 -2.124 7.450 -2.818 513 HD12 LEU 55 HD12 LEU 55 -3.828 7.648 -2.431 514 HD13 LEU 55 HD13 LEU 55 -3.271 6.155 -3.167 515 HD21 LEU 55 HD21 LEU 55 -1.518 6.689 0.571 516 HD22 LEU 55 HD22 LEU 55 -1.883 8.150 -0.350 517 HD23 LEU 55 HD23 LEU 55 -0.753 6.960 -0.994 518 H TRP 56 H TRP 56 -5.819 5.964 2.263 519 HA TRP 56 HA TRP 56 -8.444 5.521 1.032 520 HB2 TRP 56 HB2 TRP 56 -7.418 4.501 3.638 521 HB3 TRP 56 HB3 TRP 56 -9.142 4.756 3.423 522 HD1 TRP 56 HD1 TRP 56 -6.301 2.418 2.444 523 HE1 TRP 56 HE1 TRP 56 -7.213 0.464 1.072 524 HE3 TRP 56 HE3 TRP 56 -11.103 4.106 1.754 525 HZ2 TRP 56 HZ2 TRP 56 -9.719 -0.287 -0.102 526 HZ3 TRP 56 HZ3 TRP 56 -12.667 2.713 0.484 527 HH2 TRP 56 HH2 TRP 56 -11.992 0.568 -0.427 528 H GLY 57 H GLY 57 -9.752 7.114 1.086 529 HA2 GLY 57 HA2 GLY 57 -10.864 9.015 1.598 530 HA3 GLY 57 HA3 GLY 57 -10.354 8.804 3.245 531 H LYS 58 H LYS 58 -8.566 10.045 4.010 532 HA LYS 58 HA LYS 58 -8.026 12.388 2.407 533 HB2 LYS 58 HB2 LYS 58 -6.544 12.920 4.532 534 HB3 LYS 58 HB3 LYS 58 -8.288 13.118 4.548 535 HG2 LYS 58 HG2 LYS 58 -7.783 12.047 6.556 536 HG3 LYS 58 HG3 LYS 58 -8.383 10.761 5.509 537 HD2 LYS 58 HD2 LYS 58 -5.745 10.666 4.943 538 HD3 LYS 58 HD3 LYS 58 -5.691 11.204 6.623 539 HE2 LYS 58 HE2 LYS 58 -7.368 8.873 5.765 540 HE3 LYS 58 HE3 LYS 58 -5.655 8.690 6.149 541 HZ1 LYS 58 HZ1 LYS 58 -7.004 8.220 8.082 542 HZ2 LYS 58 HZ2 LYS 58 -7.768 9.725 7.972 543 HZ3 LYS 58 HZ3 LYS 58 -6.122 9.640 8.351 544 H HIS 59 H HIS 59 -6.317 9.465 3.193 545 HA HIS 59 HA HIS 59 -3.708 10.387 2.551 546 HB2 HIS 59 HB2 HIS 59 -4.993 7.685 2.837 547 HB3 HIS 59 HB3 HIS 59 -3.379 7.834 2.157 548 HD2 HIS 59 HD2 HIS 59 -4.674 6.961 5.450 549 HE1 HIS 59 HE1 HIS 59 -1.293 9.387 6.294 550 HE2 HIS 59 HE2 HIS 59 -2.958 7.728 7.198 551 H ALA 60 H ALA 60 -6.466 9.452 0.743 552 HA ALA 60 HA ALA 60 -5.377 8.535 -1.633 553 HB1 ALA 60 HB1 ALA 60 -7.479 8.630 -2.436 554 HB2 ALA 60 HB2 ALA 60 -7.737 10.273 -1.869 555 HB3 ALA 60 HB3 ALA 60 -7.876 8.928 -0.749 556 H GLY 61 H GLY 61 -4.145 9.439 -3.140 557 HA2 GLY 61 HA2 GLY 61 -3.042 11.007 -4.375 558 HA3 GLY 61 HA3 GLY 61 -4.483 11.951 -4.228 559 H SER 62 H SER 62 -3.302 11.310 -1.168 560 HA SER 62 HA SER 62 -2.449 14.059 -0.877 561 HB2 SER 62 HB2 SER 62 -3.817 13.294 0.895 562 HB3 SER 62 HB3 SER 62 -2.886 11.792 1.066 563 HG SER 62 HG SER 62 -1.432 12.819 2.224 564 H ILE 63 H ILE 63 -0.962 11.023 -1.386 565 HA ILE 63 HA ILE 63 1.529 11.625 -0.110 566 HB ILE 63 HB ILE 63 2.391 9.669 -1.529 567 HG12 ILE 63 HG12 ILE 63 -0.151 8.481 -1.976 568 HG13 ILE 63 HG13 ILE 63 -0.193 10.072 -2.722 569 HG21 ILE 63 HG21 ILE 63 1.339 8.047 -0.060 570 HG22 ILE 63 HG22 ILE 63 0.023 9.164 0.304 571 HG23 ILE 63 HG23 ILE 63 1.663 9.528 0.844 572 HD11 ILE 63 HD11 ILE 63 0.548 8.465 -4.332 573 HD12 ILE 63 HD12 ILE 63 1.809 7.890 -3.241 574 HD13 ILE 63 HD13 ILE 63 1.899 9.518 -3.914 575 H LYS 64 H LYS 64 3.597 11.417 -1.477 576 HA LYS 64 HA LYS 64 3.417 13.423 -3.605 577 HB2 LYS 64 HB2 LYS 64 5.358 12.820 -1.477 578 HB3 LYS 64 HB3 LYS 64 6.073 13.189 -3.040 579 HG2 LYS 64 HG2 LYS 64 4.678 15.275 -3.074 580 HG3 LYS 64 HG3 LYS 64 4.253 14.925 -1.398 581 HD2 LYS 64 HD2 LYS 64 6.891 14.722 -1.172 582 HD3 LYS 64 HD3 LYS 64 6.841 15.804 -2.565 583 HE2 LYS 64 HE2 LYS 64 5.628 17.445 -1.359 584 HE3 LYS 64 HE3 LYS 64 5.298 16.327 -0.036 585 HZ1 LYS 64 HZ1 LYS 64 7.045 17.894 0.538 586 HZ2 LYS 64 HZ2 LYS 64 7.976 17.378 -0.776 587 HZ3 LYS 64 HZ3 LYS 64 7.652 16.315 0.498 588 H GLU 65 H GLU 65 5.627 13.114 -4.980 589 HA GLU 65 HA GLU 65 5.288 10.613 -6.399 590 HB2 GLU 65 HB2 GLU 65 6.133 13.304 -7.050 591 HB3 GLU 65 HB3 GLU 65 7.354 12.145 -7.556 592 HG2 GLU 65 HG2 GLU 65 5.902 11.062 -9.027 593 HG3 GLU 65 HG3 GLU 65 4.490 11.742 -8.206 594 H GLY 66 H GLY 66 7.744 10.065 -7.409 595 HA2 GLY 66 HA2 GLY 66 8.897 8.374 -5.643 596 HA3 GLY 66 HA3 GLY 66 9.812 9.172 -6.901 597 H GLN 67 H GLN 67 8.841 9.269 -3.554 598 HA GLN 67 HA GLN 67 11.253 10.756 -2.828 599 HB2 GLN 67 HB2 GLN 67 9.997 12.136 -1.254 600 HB3 GLN 67 HB3 GLN 67 9.389 12.400 -2.881 601 HG2 GLN 67 HG2 GLN 67 7.375 12.102 -2.026 602 HG3 GLN 67 HG3 GLN 67 7.778 10.389 -1.982 603 HE21 GLN 67 HE21 GLN 67 8.543 9.497 -0.028 604 HE22 GLN 67 HE22 GLN 67 8.172 10.233 1.490 605 H VAL 68 H VAL 68 11.725 10.418 -0.412 606 HA VAL 68 HA VAL 68 11.313 7.656 0.162 607 HB VAL 68 HB VAL 68 12.681 9.613 1.981 608 HG11 VAL 68 HG11 VAL 68 12.697 6.717 1.469 609 HG12 VAL 68 HG12 VAL 68 12.476 7.561 2.998 610 HG13 VAL 68 HG13 VAL 68 14.080 7.458 2.270 611 HG21 VAL 68 HG21 VAL 68 14.748 9.130 0.821 612 HG22 VAL 68 HG22 VAL 68 13.579 9.951 -0.228 613 HG23 VAL 68 HG23 VAL 68 13.815 8.178 -0.357 614 H VAL 69 H VAL 69 9.558 6.987 1.163 615 HA VAL 69 HA VAL 69 8.357 8.709 3.232 616 HB VAL 69 HB VAL 69 6.417 6.831 2.501 617 HG11 VAL 69 HG11 VAL 69 5.118 8.730 1.859 618 HG12 VAL 69 HG12 VAL 69 6.570 9.708 1.629 619 HG13 VAL 69 HG13 VAL 69 6.112 9.174 3.248 620 HG21 VAL 69 HG21 VAL 69 8.129 7.347 0.259 621 HG22 VAL 69 HG22 VAL 69 6.521 7.998 -0.048 622 HG23 VAL 69 HG23 VAL 69 6.718 6.295 0.365 623 H LYS 70 H LYS 70 6.843 7.227 4.663 624 HA LYS 70 HA LYS 70 8.167 4.693 5.260 625 HB2 LYS 70 HB2 LYS 70 9.145 6.576 6.668 626 HB3 LYS 70 HB3 LYS 70 7.568 6.696 7.435 627 HG2 LYS 70 HG2 LYS 70 8.194 3.997 7.570 628 HG3 LYS 70 HG3 LYS 70 9.715 4.826 7.910 629 HD2 LYS 70 HD2 LYS 70 8.443 6.234 9.570 630 HD3 LYS 70 HD3 LYS 70 7.083 5.133 9.341 631 HE2 LYS 70 HE2 LYS 70 8.518 3.256 10.033 632 HE3 LYS 70 HE3 LYS 70 9.840 4.389 10.312 633 HZ1 LYS 70 HZ1 LYS 70 8.695 3.846 12.366 634 HZ2 LYS 70 HZ2 LYS 70 7.228 4.397 11.728 635 HZ3 LYS 70 HZ3 LYS 70 8.495 5.486 11.995 636 H ILE 71 H ILE 71 6.536 3.315 4.994 637 HA ILE 71 HA ILE 71 3.816 4.027 5.568 638 HB ILE 71 HB ILE 71 4.971 1.316 4.917 639 HG12 ILE 71 HG12 ILE 71 5.288 3.237 3.239 640 HG13 ILE 71 HG13 ILE 71 4.556 1.745 2.645 641 HG21 ILE 71 HG21 ILE 71 2.172 2.356 5.147 642 HG22 ILE 71 HG22 ILE 71 2.878 0.897 5.845 643 HG23 ILE 71 HG23 ILE 71 2.547 0.977 4.114 644 HD11 ILE 71 HD11 ILE 71 3.516 3.917 1.875 645 HD12 ILE 71 HD12 ILE 71 2.965 4.147 3.534 646 HD13 ILE 71 HD13 ILE 71 2.401 2.762 2.601 647 H GLU 72 H GLU 72 2.493 3.265 7.272 648 HA GLU 72 HA GLU 72 3.960 2.083 9.467 649 HB2 GLU 72 HB2 GLU 72 2.812 4.522 9.457 650 HB3 GLU 72 HB3 GLU 72 1.487 3.590 10.049 651 HG2 GLU 72 HG2 GLU 72 3.957 2.917 11.374 652 HG3 GLU 72 HG3 GLU 72 3.598 4.637 11.506 653 H ASN 73 H ASN 73 2.155 1.379 11.035 654 HA ASN 73 HA ASN 73 1.140 -1.054 10.278 655 HB2 ASN 73 HB2 ASN 73 1.227 0.412 12.559 656 HB3 ASN 73 HB3 ASN 73 -0.458 0.446 12.146 657 HD21 ASN 73 HD21 ASN 73 -1.643 -1.247 12.890 658 HD22 ASN 73 HD22 ASN 73 -1.034 -2.765 13.409 659 H ALA 74 H ALA 74 0.012 -1.194 8.439 660 HA ALA 74 HA ALA 74 -2.644 0.082 8.422 661 HB1 ALA 74 HB1 ALA 74 -1.413 1.025 6.633 662 HB2 ALA 74 HB2 ALA 74 -2.492 -0.174 5.919 663 HB3 ALA 74 HB3 ALA 74 -0.784 -0.548 6.148 664 H TRP 75 H TRP 75 -1.797 -2.182 6.001 665 HA TRP 75 HA TRP 75 -2.304 -4.651 7.172 666 HB2 TRP 75 HB2 TRP 75 -4.660 -5.022 6.453 667 HB3 TRP 75 HB3 TRP 75 -4.489 -3.887 7.785 668 HD1 TRP 75 HD1 TRP 75 -5.178 -3.867 3.976 669 HE1 TRP 75 HE1 TRP 75 -6.541 -1.783 3.448 670 HE3 TRP 75 HE3 TRP 75 -5.128 -1.600 8.541 671 HZ2 TRP 75 HZ2 TRP 75 -7.458 0.463 4.696 672 HZ3 TRP 75 HZ3 TRP 75 -6.292 0.569 8.780 673 HH2 TRP 75 HH2 TRP 75 -7.471 1.565 6.852 674 H THR 76 H THR 76 -3.111 -6.251 5.567 675 HA THR 76 HA THR 76 -2.375 -5.485 2.843 676 HB THR 76 HB THR 76 -1.307 -7.820 2.687 677 HG1 THR 76 HG1 THR 76 -0.319 -8.308 4.849 678 HG21 THR 76 HG21 THR 76 0.862 -6.927 3.655 679 HG22 THR 76 HG22 THR 76 -0.057 -5.495 4.120 680 HG23 THR 76 HG23 THR 76 0.078 -5.941 2.417 681 H THR 77 H THR 77 -3.646 -6.280 1.343 682 HA THR 77 HA THR 77 -5.476 -8.467 2.050 683 HB THR 77 HB THR 77 -7.360 -7.378 1.150 684 HG1 THR 77 HG1 THR 77 -6.520 -6.543 -0.747 685 HG21 THR 77 HG21 THR 77 -6.675 -6.395 3.331 686 HG22 THR 77 HG22 THR 77 -7.541 -5.241 2.321 687 HG23 THR 77 HG23 THR 77 -5.788 -5.140 2.465 688 H ALA 78 H ALA 78 -5.543 -10.057 0.536 689 HA ALA 78 HA ALA 78 -3.791 -9.743 -1.753 690 HB1 ALA 78 HB1 ALA 78 -3.600 -11.734 -0.359 691 HB2 ALA 78 HB2 ALA 78 -4.014 -12.147 -2.023 692 HB3 ALA 78 HB3 ALA 78 -5.255 -12.183 -0.771 693 H PHE 79 H PHE 79 -4.674 -8.748 -3.471 694 HA PHE 79 HA PHE 79 -7.362 -9.432 -4.294 695 HB2 PHE 79 HB2 PHE 79 -6.325 -7.020 -4.097 696 HB3 PHE 79 HB3 PHE 79 -5.661 -7.410 -5.699 697 HD1 PHE 79 HD1 PHE 79 -8.759 -7.208 -3.745 698 HD2 PHE 79 HD2 PHE 79 -7.011 -7.350 -7.598 699 HE1 PHE 79 HE1 PHE 79 -10.928 -6.771 -4.733 700 HE2 PHE 79 HE2 PHE 79 -9.183 -6.889 -8.600 701 HZ PHE 79 HZ PHE 79 -11.170 -6.598 -7.177 702 H LYS 80 H LYS 80 -7.695 -10.841 -5.848 703 HA LYS 80 HA LYS 80 -7.438 -12.217 -7.619 704 HB2 LYS 80 HB2 LYS 80 -5.374 -10.209 -8.525 705 HB3 LYS 80 HB3 LYS 80 -6.134 -11.435 -9.535 706 HG2 LYS 80 HG2 LYS 80 -7.634 -9.251 -8.122 707 HG3 LYS 80 HG3 LYS 80 -7.063 -9.136 -9.784 708 HD2 LYS 80 HD2 LYS 80 -8.450 -11.036 -10.406 709 HD3 LYS 80 HD3 LYS 80 -8.974 -11.221 -8.729 710 HE2 LYS 80 HE2 LYS 80 -9.949 -8.960 -8.811 711 HE3 LYS 80 HE3 LYS 80 -9.476 -8.833 -10.502 712 HZ1 LYS 80 HZ1 LYS 80 -11.791 -9.464 -10.288 713 HZ2 LYS 80 HZ2 LYS 80 -11.368 -10.829 -9.383 714 HZ3 LYS 80 HZ3 LYS 80 -10.906 -10.716 -11.005 715 H GLY 81 H GLY 81 -5.492 -12.332 -5.200 716 HA2 GLY 81 HA2 GLY 81 -4.272 -14.345 -4.745 717 HA3 GLY 81 HA3 GLY 81 -3.810 -14.407 -6.438 718 H GLN 82 H GLN 82 -3.342 -11.305 -5.948 719 HA GLN 82 HA GLN 82 -0.576 -11.703 -5.034 720 HB2 GLN 82 HB2 GLN 82 -0.925 -9.056 -5.974 721 HB3 GLN 82 HB3 GLN 82 0.035 -10.340 -6.694 722 HG2 GLN 82 HG2 GLN 82 -1.365 -10.523 -8.402 723 HG3 GLN 82 HG3 GLN 82 -2.765 -10.625 -7.336 724 HE21 GLN 82 HE21 GLN 82 -2.405 -8.106 -6.066 725 HE22 GLN 82 HE22 GLN 82 -2.782 -6.879 -7.220 726 H VAL 83 H VAL 83 0.265 -10.494 -3.349 727 HA VAL 83 HA VAL 83 -1.652 -9.547 -1.462 728 HB VAL 83 HB VAL 83 1.311 -9.017 -1.276 729 HG11 VAL 83 HG11 VAL 83 0.498 -9.691 1.197 730 HG12 VAL 83 HG12 VAL 83 -0.982 -8.977 0.557 731 HG13 VAL 83 HG13 VAL 83 0.509 -8.039 0.578 732 HG21 VAL 83 HG21 VAL 83 1.042 -11.368 -1.879 733 HG22 VAL 83 HG22 VAL 83 -0.093 -11.581 -0.547 734 HG23 VAL 83 HG23 VAL 83 1.595 -11.195 -0.213 735 H GLN 84 H GLN 84 -1.744 -7.376 -0.569 736 HA GLN 84 HA GLN 84 -0.636 -5.259 -2.241 737 HB2 GLN 84 HB2 GLN 84 -3.143 -6.122 -2.801 738 HB3 GLN 84 HB3 GLN 84 -3.498 -4.902 -1.590 739 HG2 GLN 84 HG2 GLN 84 -2.394 -3.214 -2.890 740 HG3 GLN 84 HG3 GLN 84 -1.853 -4.418 -4.059 741 HE21 GLN 84 HE21 GLN 84 -4.535 -2.574 -2.864 742 HE22 GLN 84 HE22 GLN 84 -5.623 -2.915 -4.192 743 H LEU 85 H LEU 85 -0.999 -3.094 -1.251 744 HA LEU 85 HA LEU 85 -1.230 -3.280 1.680 745 HB2 LEU 85 HB2 LEU 85 1.087 -2.905 0.315 746 HB3 LEU 85 HB3 LEU 85 0.597 -1.251 0.599 747 HG LEU 85 HG LEU 85 0.340 -2.711 3.044 748 HD11 LEU 85 HD11 LEU 85 2.707 -3.287 3.391 749 HD12 LEU 85 HD12 LEU 85 3.024 -2.951 1.689 750 HD13 LEU 85 HD13 LEU 85 1.954 -4.278 2.141 751 HD21 LEU 85 HD21 LEU 85 2.030 -1.024 3.764 752 HD22 LEU 85 HD22 LEU 85 0.619 -0.340 2.957 753 HD23 LEU 85 HD23 LEU 85 2.144 -0.497 2.084 754 H ASN 86 H ASN 86 -2.044 -1.434 2.753 755 HA ASN 86 HA ASN 86 -3.196 0.695 1.034 756 HB2 ASN 86 HB2 ASN 86 -4.639 -0.684 3.301 757 HB3 ASN 86 HB3 ASN 86 -5.281 0.570 2.274 758 HD21 ASN 86 HD21 ASN 86 -4.011 -2.648 2.288 759 HD22 ASN 86 HD22 ASN 86 -4.902 -3.219 0.923 760 H ALA 87 H ALA 87 -4.031 2.533 2.410 761 HA ALA 87 HA ALA 87 -2.727 2.584 5.020 762 HB1 ALA 87 HB1 ALA 87 -2.473 4.886 3.086 763 HB2 ALA 87 HB2 ALA 87 -1.219 3.679 3.359 764 HB3 ALA 87 HB3 ALA 87 -1.725 4.735 4.676 765 H GLY 88 H GLY 88 -4.247 2.952 6.431 766 HA2 GLY 88 HA2 GLY 88 -6.422 4.807 5.765 767 HA3 GLY 88 HA3 GLY 88 -6.596 3.445 6.777 768 H SER 89 H SER 89 -6.978 4.000 8.799 769 HA SER 89 HA SER 89 -6.115 6.555 9.763 770 HB2 SER 89 HB2 SER 89 -7.711 4.359 11.093 771 HB3 SER 89 HB3 SER 89 -7.372 5.919 11.840 772 HG SER 89 HG SER 89 -9.383 5.394 10.337 773 H LYS 90 H LYS 90 -5.539 3.196 11.095 774 HA LYS 90 HA LYS 90 -3.700 4.196 13.032 775 HB2 LYS 90 HB2 LYS 90 -3.154 1.966 13.638 776 HB3 LYS 90 HB3 LYS 90 -4.858 1.956 13.293 777 HG2 LYS 90 HG2 LYS 90 -3.242 1.254 10.991 778 HG3 LYS 90 HG3 LYS 90 -3.009 0.189 12.369 779 HD2 LYS 90 HD2 LYS 90 -5.729 0.464 12.319 780 HD3 LYS 90 HD3 LYS 90 -5.317 0.488 10.602 781 HE2 LYS 90 HE2 LYS 90 -5.006 -1.709 10.620 782 HE3 LYS 90 HE3 LYS 90 -3.788 -1.549 11.881 783 HZ1 LYS 90 HZ1 LYS 90 -5.573 -1.593 13.532 784 HZ2 LYS 90 HZ2 LYS 90 -5.560 -3.000 12.593 785 HZ3 LYS 90 HZ3 LYS 90 -6.717 -1.802 12.300 786 H THR 91 H THR 91 -3.404 4.178 9.846 787 HA THR 91 HA THR 91 -0.532 3.563 9.761 788 HB THR 91 HB THR 91 -2.215 4.411 7.403 789 HG1 THR 91 HG1 THR 91 -2.182 1.872 8.669 790 HG21 THR 91 HG21 THR 91 0.126 2.522 7.678 791 HG22 THR 91 HG22 THR 91 0.195 4.180 7.079 792 HG23 THR 91 HG23 THR 91 -0.683 2.950 6.171 793 H LYS 92 H LYS 92 0.872 5.274 9.838 794 HA LYS 92 HA LYS 92 -0.136 7.951 9.107 795 HB2 LYS 92 HB2 LYS 92 1.247 7.028 11.491 796 HB3 LYS 92 HB3 LYS 92 2.145 8.311 10.693 797 HG2 LYS 92 HG2 LYS 92 0.719 9.308 12.315 798 HG3 LYS 92 HG3 LYS 92 0.066 9.690 10.721 799 HD2 LYS 92 HD2 LYS 92 -1.537 7.820 10.973 800 HD3 LYS 92 HD3 LYS 92 -0.920 7.547 12.603 801 HE2 LYS 92 HE2 LYS 92 -1.593 9.831 13.221 802 HE3 LYS 92 HE3 LYS 92 -2.241 10.067 11.598 803 HZ1 LYS 92 HZ1 LYS 92 -3.991 9.482 13.135 804 HZ2 LYS 92 HZ2 LYS 92 -3.185 8.063 13.576 805 HZ3 LYS 92 HZ3 LYS 92 -3.787 8.239 12.006 806 H ILE 93 H ILE 93 0.676 8.477 7.139 807 HA ILE 93 HA ILE 93 3.289 7.388 6.394 808 HB ILE 93 HB ILE 93 1.591 9.071 4.580 809 HG12 ILE 93 HG12 ILE 93 1.282 6.083 4.996 810 HG13 ILE 93 HG13 ILE 93 0.141 7.299 5.552 811 HG21 ILE 93 HG21 ILE 93 3.871 8.522 3.887 812 HG22 ILE 93 HG22 ILE 93 2.676 7.741 2.844 813 HG23 ILE 93 HG23 ILE 93 3.516 6.802 4.078 814 HD11 ILE 93 HD11 ILE 93 0.809 6.557 2.724 815 HD12 ILE 93 HD12 ILE 93 -0.107 8.000 3.155 816 HD13 ILE 93 HD13 ILE 93 -0.733 6.404 3.565 817 H ALA 94 H ALA 94 5.062 8.604 5.919 818 HA ALA 94 HA ALA 94 5.028 11.500 5.683 819 HB1 ALA 94 HB1 ALA 94 6.367 11.941 7.625 820 HB2 ALA 94 HB2 ALA 94 6.115 10.279 8.230 821 HB3 ALA 94 HB3 ALA 94 4.744 11.395 8.106 822 H GLU 95 H GLU 95 6.972 12.415 5.033 823 HA GLU 95 HA GLU 95 8.705 10.750 3.569 824 HB2 GLU 95 HB2 GLU 95 9.425 13.562 4.388 825 HB3 GLU 95 HB3 GLU 95 9.676 12.616 3.087 826 HG2 GLU 95 HG2 GLU 95 8.234 13.695 2.061 827 HG3 GLU 95 HG3 GLU 95 7.117 12.664 2.779 828 H ALA 96 H ALA 96 10.572 9.911 3.996 829 HA ALA 96 HA ALA 96 11.763 10.341 6.675 830 HB1 ALA 96 HB1 ALA 96 12.189 8.052 6.995 831 HB2 ALA 96 HB2 ALA 96 11.849 7.676 5.299 832 HB3 ALA 96 HB3 ALA 96 10.529 8.120 6.394 833 H SER 97 H SER 97 13.945 10.591 6.751 834 HA SER 97 HA SER 97 15.365 10.496 4.173 835 HB2 SER 97 HB2 SER 97 16.971 12.088 5.313 836 HB3 SER 97 HB3 SER 97 15.389 12.709 4.959 837 HG SER 97 HG SER 97 15.573 11.511 7.419 838 H GLU 98 H GLU 98 16.923 9.039 3.930 839 HA GLU 98 HA GLU 98 18.242 7.967 6.332 840 HB2 GLU 98 HB2 GLU 98 17.246 6.402 3.943 841 HB3 GLU 98 HB3 GLU 98 18.257 5.725 5.187 842 HG2 GLU 98 HG2 GLU 98 15.854 7.002 6.177 843 HG3 GLU 98 HG3 GLU 98 15.626 5.545 5.211 844 H ASP 99 H ASP 99 19.935 6.179 4.763 845 HA ASP 99 HA ASP 99 21.914 8.024 3.966 846 HB2 ASP 99 HB2 ASP 99 21.755 5.034 4.188 847 HB3 ASP 99 HB3 ASP 99 23.121 5.794 3.375 848 H GLY 100 H GLY 100 19.320 7.641 2.371 849 HA2 GLY 100 HA2 GLY 100 19.134 8.191 0.070 850 HA3 GLY 100 HA3 GLY 100 20.687 7.431 -0.243 851 H PHE 101 H PHE 101 17.278 6.828 0.391 852 HA PHE 101 HA PHE 101 17.299 4.037 0.122 853 HB2 PHE 101 HB2 PHE 101 15.374 6.018 0.545 854 HB3 PHE 101 HB3 PHE 101 14.888 5.244 -0.958 855 HD1 PHE 101 HD2 PHE 101 16.009 4.350 2.490 856 HD2 PHE 101 HD1 PHE 101 13.543 3.388 -0.841 857 HE1 PHE 101 HE2 PHE 101 15.036 2.489 3.755 858 HE2 PHE 101 HE1 PHE 101 12.541 1.560 0.389 859 HZ PHE 101 HZ PHE 101 13.300 1.079 2.731 860 HA PRO 102 HA PRO 102 18.161 3.150 -4.118 861 HB2 PRO 102 HB2 PRO 102 15.747 1.402 -3.991 862 HB3 PRO 102 HB3 PRO 102 17.390 1.017 -4.528 863 HG2 PRO 102 HG2 PRO 102 16.541 0.182 -2.163 864 HG3 PRO 102 HG3 PRO 102 18.199 0.779 -2.373 865 HD2 PRO 102 HD2 PRO 102 15.855 2.115 -1.105 866 HD3 PRO 102 HD3 PRO 102 17.583 2.192 -0.672 867 H GLU 103 H GLU 103 17.552 3.861 -6.112 868 HA GLU 103 HA GLU 103 15.355 5.683 -6.267 869 HB2 GLU 103 HB2 GLU 103 17.690 5.629 -7.524 870 HB3 GLU 103 HB3 GLU 103 16.761 4.736 -8.720 871 HG2 GLU 103 HG2 GLU 103 15.293 6.556 -9.075 872 HG3 GLU 103 HG3 GLU 103 15.911 7.417 -7.665 873 H SER 104 H SER 104 13.692 5.596 -7.956 874 HA SER 104 HA SER 104 12.216 3.197 -7.837 875 HB2 SER 104 HB2 SER 104 11.764 5.345 -9.903 876 HB3 SER 104 HB3 SER 104 10.572 4.308 -9.117 877 HG SER 104 HG SER 104 12.088 6.365 -7.878 878 H SER 105 H SER 105 14.563 4.396 -10.096 879 HA SER 105 HA SER 105 13.859 2.528 -12.181 880 HB2 SER 105 HB2 SER 105 15.431 4.889 -11.994 881 HB3 SER 105 HB3 SER 105 16.487 3.592 -12.553 882 HG SER 105 HG SER 105 15.354 3.420 -14.356 883 H GLN 106 H GLN 106 15.404 2.231 -9.276 884 HA GLN 106 HA GLN 106 16.960 -0.082 -10.230 885 HB2 GLN 106 HB2 GLN 106 17.654 1.619 -7.843 886 HB3 GLN 106 HB3 GLN 106 18.609 0.345 -8.524 887 HG2 GLN 106 HG2 GLN 106 18.646 1.816 -10.653 888 HG3 GLN 106 HG3 GLN 106 18.083 3.094 -9.575 889 HE21 GLN 106 HE21 GLN 106 20.442 0.478 -9.164 890 HE22 GLN 106 HE22 GLN 106 21.763 1.504 -8.735 891 H ILE 107 H ILE 107 14.208 0.593 -8.859 892 HA ILE 107 HA ILE 107 14.419 -1.166 -6.538 893 HB ILE 107 HB ILE 107 12.388 0.801 -7.493 894 HG12 ILE 107 HG12 ILE 107 13.223 0.210 -4.666 895 HG13 ILE 107 HG13 ILE 107 14.263 1.144 -5.736 896 HG21 ILE 107 HG21 ILE 107 10.703 -0.053 -5.947 897 HG22 ILE 107 HG22 ILE 107 11.738 -1.439 -5.564 898 HG23 ILE 107 HG23 ILE 107 11.076 -1.242 -7.194 899 HD11 ILE 107 HD11 ILE 107 11.506 2.058 -5.663 900 HD12 ILE 107 HD12 ILE 107 13.020 2.956 -5.569 901 HD13 ILE 107 HD13 ILE 107 12.359 2.166 -4.123 902 HA PRO 108 HA PRO 108 13.235 -4.711 -9.025 903 HB2 PRO 108 HB2 PRO 108 12.396 -5.695 -6.339 904 HB3 PRO 108 HB3 PRO 108 13.407 -6.481 -7.559 905 HG2 PRO 108 HG2 PRO 108 14.519 -5.436 -5.397 906 HG3 PRO 108 HG3 PRO 108 15.297 -5.275 -6.985 907 HD2 PRO 108 HD2 PRO 108 13.772 -3.245 -5.420 908 HD3 PRO 108 HD3 PRO 108 15.208 -3.040 -6.445 909 H GLU 109 H GLU 109 11.279 -5.992 -9.381 910 HA GLU 109 HA GLU 109 8.836 -4.533 -8.608 911 HB2 GLU 109 HB2 GLU 109 7.916 -5.363 -10.836 912 HB3 GLU 109 HB3 GLU 109 9.126 -4.090 -10.916 913 HG2 GLU 109 HG2 GLU 109 10.812 -5.616 -11.590 914 HG3 GLU 109 HG3 GLU 109 9.782 -7.004 -11.242 915 H ASN 110 H ASN 110 10.390 -7.142 -7.800 916 HA ASN 110 HA ASN 110 8.819 -9.369 -8.310 917 HB2 ASN 110 HB2 ASN 110 11.087 -8.997 -6.938 918 HB3 ASN 110 HB3 ASN 110 9.970 -9.099 -5.580 919 HD21 ASN 110 HD21 ASN 110 11.833 -10.823 -7.755 920 HD22 ASN 110 HD22 ASN 110 11.181 -12.397 -7.466 921 H THR 111 H THR 111 6.805 -9.884 -7.808 922 HA THR 111 HA THR 111 5.324 -8.254 -5.915 923 HB THR 111 HB THR 111 3.685 -10.338 -6.929 924 HG1 THR 111 HG1 THR 111 5.446 -9.188 -8.842 925 HG21 THR 111 HG21 THR 111 3.016 -8.015 -6.380 926 HG22 THR 111 HG22 THR 111 2.489 -8.514 -7.988 927 HG23 THR 111 HG23 THR 111 3.886 -7.455 -7.806 928 HA PRO 112 HA PRO 112 6.202 -11.283 -2.683 929 HB2 PRO 112 HB2 PRO 112 4.115 -9.686 -1.302 930 HB3 PRO 112 HB3 PRO 112 5.737 -10.140 -0.757 931 HG2 PRO 112 HG2 PRO 112 5.256 -7.654 -1.530 932 HG3 PRO 112 HG3 PRO 112 6.777 -8.462 -1.966 933 HD2 PRO 112 HD2 PRO 112 4.364 -7.960 -3.655 934 HD3 PRO 112 HD3 PRO 112 6.086 -7.846 -4.078 935 H THR 113 H THR 113 5.224 -13.176 -2.165 936 HA THR 113 HA THR 113 2.335 -13.438 -2.221 937 HB THR 113 HB THR 113 3.500 -15.613 -3.765 938 HG1 THR 113 HG1 THR 113 3.662 -14.175 -5.688 939 HG21 THR 113 HG21 THR 113 1.095 -15.189 -3.547 940 HG22 THR 113 HG22 THR 113 1.605 -15.132 -5.235 941 HG23 THR 113 HG23 THR 113 1.296 -13.634 -4.356 942 H ALA 114 H ALA 114 1.741 -14.692 -0.580 943 HA ALA 114 HA ALA 114 3.607 -16.012 1.076 944 HB1 ALA 114 HB1 ALA 114 1.665 -16.825 2.308 945 HB2 ALA 114 HB2 ALA 114 0.607 -16.322 0.988 946 HB3 ALA 114 HB3 ALA 114 1.494 -15.113 1.918 947 H ARG 115 H ARG 115 3.459 -18.338 1.690 948 HA ARG 115 HA ARG 115 3.582 -19.958 -0.714 949 HB2 ARG 115 HB2 ARG 115 4.427 -21.721 0.876 950 HB3 ARG 115 HB3 ARG 115 5.405 -20.263 0.791 951 HG2 ARG 115 HG2 ARG 115 4.264 -19.459 2.855 952 HG3 ARG 115 HG3 ARG 115 3.472 -21.032 2.965 953 HD2 ARG 115 HD2 ARG 115 5.499 -20.855 4.376 954 HD3 ARG 115 HD3 ARG 115 5.594 -22.142 3.176 955 HE ARG 115 HE ARG 115 6.865 -19.524 2.729 956 HH11 ARG 115 HH11 ARG 115 7.017 -23.004 2.888 957 HH12 ARG 115 HH12 ARG 115 8.627 -23.089 2.257 958 HH21 ARG 115 HH21 ARG 115 8.985 -19.630 1.894 959 HH22 ARG 115 HH22 ARG 115 9.746 -21.173 1.693 960 H ARG 116 H ARG 116 2.278 -21.665 -1.207 961 HA ARG 116 HA ARG 116 -0.108 -22.010 0.487 962 HB2 ARG 116 HB2 ARG 116 0.263 -22.150 -2.496 963 HB3 ARG 116 HB3 ARG 116 -1.125 -22.890 -1.710 964 HG2 ARG 116 HG2 ARG 116 -1.689 -20.677 -0.743 965 HG3 ARG 116 HG3 ARG 116 -0.371 -19.976 -1.685 966 HD2 ARG 116 HD2 ARG 116 -2.138 -21.618 -3.301 967 HD3 ARG 116 HD3 ARG 116 -2.994 -20.299 -2.506 968 HE ARG 116 HE ARG 116 -1.129 -20.090 -4.659 969 HH11 ARG 116 HH11 ARG 116 -2.422 -18.430 -1.881 970 HH12 ARG 116 HH12 ARG 116 -2.070 -16.851 -2.498 971 HH21 ARG 116 HH21 ARG 116 -0.661 -18.015 -5.481 972 HH22 ARG 116 HH22 ARG 116 -1.069 -16.614 -4.546 973 H ARG 117 H ARG 117 -0.939 -24.104 0.798 974 HA ARG 117 HA ARG 117 1.077 -26.156 0.874 975 HB2 ARG 117 HB2 ARG 117 -1.842 -26.488 1.547 976 HB3 ARG 117 HB3 ARG 117 -0.482 -27.431 2.141 977 HG2 ARG 117 HG2 ARG 117 0.319 -25.515 3.402 978 HG3 ARG 117 HG3 ARG 117 -1.007 -24.534 2.776 979 HD2 ARG 117 HD2 ARG 117 -1.682 -27.087 4.136 980 HD3 ARG 117 HD3 ARG 117 -1.137 -25.740 5.135 981 HE ARG 117 HE ARG 117 -3.103 -24.775 3.413 982 HH11 ARG 117 HH11 ARG 117 -2.817 -27.031 6.056 983 HH12 ARG 117 HH12 ARG 117 -4.449 -26.809 6.591 984 HH21 ARG 117 HH21 ARG 117 -5.252 -24.477 4.112 985 HH22 ARG 117 HH22 ARG 117 -5.833 -25.357 5.485 Start of MODEL 6 1 H5' DT 1 H5' DT 1 -13.580 6.610 10.544 2 H5'' DT 1 H5'' DT 1 -12.520 5.544 9.601 3 H4' DT 1 H4' DT 1 -15.141 5.166 9.819 4 H3' DT 1 H3' DT 1 -13.293 4.474 7.570 5 H2' DT 1 H2' DT 1 -15.141 3.867 6.170 6 H2'' DT 1 H2'' DT 1 -16.258 3.773 7.525 7 H1' DT 1 H1' DT 1 -16.828 5.958 6.891 8 H3 DT 1 H3 DT 1 -15.660 8.711 3.562 9 H71 DT 1 H71 DT 1 -11.793 6.161 2.862 10 H72 DT 1 H72 DT 1 -11.119 7.026 4.264 11 H73 DT 1 H73 DT 1 -11.567 5.310 4.408 12 H6 DT 1 H6 DT 1 -13.322 5.324 5.973 13 HO5' DT 1 HO5' DT 1 -13.651 7.452 8.043 14 H5' DT 2 H5' DT 2 -13.698 -1.123 7.942 15 H5'' DT 2 H5'' DT 2 -12.190 -0.394 8.536 16 H4' DT 2 H4' DT 2 -13.006 -0.202 5.650 17 H3' DT 2 H3' DT 2 -11.843 -2.605 6.987 18 H2' DT 2 H2' DT 2 -10.235 -2.871 5.212 19 H2'' DT 2 H2'' DT 2 -11.059 -1.717 4.172 20 H1' DT 2 H1' DT 2 -9.414 -0.264 5.175 21 H3 DT 2 H3 DT 2 -8.346 -0.594 10.046 22 H71 DT 2 H71 DT 2 -7.141 -4.656 6.727 23 H72 DT 2 H72 DT 2 -7.923 -5.093 8.265 24 H73 DT 2 H73 DT 2 -6.281 -4.408 8.264 25 H6 DT 2 H6 DT 2 -8.545 -2.946 5.914 26 H5' DT 3 H5' DT 3 -13.313 -5.653 2.378 27 H5'' DT 3 H5'' DT 3 -12.057 -4.703 3.199 28 H4' DT 3 H4' DT 3 -14.166 -3.795 1.262 29 H3' DT 3 H3' DT 3 -11.495 -4.433 0.816 30 H2' DT 3 H2' DT 3 -10.635 -2.484 1.962 31 H2'' DT 3 H2'' DT 3 -10.794 -1.882 0.317 32 H1' DT 3 H1' DT 3 -13.145 -1.170 0.781 33 H3 DT 3 H3 DT 3 -13.719 2.455 3.360 34 H71 DT 3 H71 DT 3 -8.675 0.696 4.017 35 H72 DT 3 H72 DT 3 -9.566 1.307 5.430 36 H73 DT 3 H73 DT 3 -9.067 2.427 4.140 37 H6 DT 3 H6 DT 3 -10.153 -0.650 2.776 38 H5' DT 4 H5' DT 4 -14.670 -3.093 -2.821 39 H5'' DT 4 H5'' DT 4 -14.167 -3.636 -4.433 40 H4' DT 4 H4' DT 4 -13.785 -1.206 -3.877 41 H3' DT 4 H3' DT 4 -11.589 -2.956 -4.941 42 H2' DT 4 H2' DT 4 -10.065 -1.130 -4.781 43 H2'' DT 4 H2'' DT 4 -11.352 0.068 -4.745 44 H1' DT 4 H1' DT 4 -11.203 0.031 -2.447 45 H3 DT 4 H3 DT 4 -6.805 -1.071 -1.663 46 H71 DT 4 H71 DT 4 -10.149 -5.141 -0.455 47 H72 DT 4 H72 DT 4 -8.501 -5.537 -0.999 48 H73 DT 4 H73 DT 4 -8.756 -4.780 0.591 49 H6 DT 4 H6 DT 4 -10.987 -3.362 -1.670 50 H5' DT 5 H5' DT 5 -13.701 -2.347 -9.417 51 H5'' DT 5 H5'' DT 5 -12.857 -2.852 -7.937 52 H4' DT 5 H4' DT 5 -11.519 -1.984 -10.500 53 H3' DT 5 H3' DT 5 -12.768 -4.387 -10.312 54 H2' DT 5 H2' DT 5 -11.565 -5.228 -8.413 55 H2'' DT 5 H2'' DT 5 -10.570 -5.836 -9.728 56 H1' DT 5 H1' DT 5 -9.039 -3.969 -9.594 57 H3 DT 5 H3 DT 5 -6.365 -4.667 -6.115 58 H71 DT 5 H71 DT 5 -9.837 -5.163 -3.160 59 H72 DT 5 H72 DT 5 -11.297 -5.136 -4.178 60 H73 DT 5 H73 DT 5 -10.597 -3.611 -3.587 61 H6 DT 5 H6 DT 5 -11.097 -4.260 -6.501 62 H5' DT 6 H5' DT 6 -9.349 -3.665 -12.639 63 H5'' DT 6 H5'' DT 6 -8.556 -4.312 -14.089 64 H4' DT 6 H4' DT 6 -7.499 -4.162 -11.545 65 H3' DT 6 H3' DT 6 -6.643 -5.583 -14.035 66 HO3' DT 6 HO3' DT 6 -6.082 -3.354 -12.580 67 H2' DT 6 H2' DT 6 -5.020 -6.846 -12.790 68 H2'' DT 6 H2'' DT 6 -5.145 -5.798 -11.384 69 H1' DT 6 H1' DT 6 -6.661 -7.460 -10.657 70 H3 DT 6 H3 DT 6 -6.202 -11.162 -13.409 71 H71 DT 6 H71 DT 6 -10.771 -8.500 -14.344 72 H72 DT 6 H72 DT 6 -10.516 -10.190 -14.837 73 H73 DT 6 H73 DT 6 -9.864 -8.866 -15.831 74 H6 DT 6 H6 DT 6 -9.038 -7.335 -13.179 75 H1 MET 1 H MET 1 11.336 -2.437 15.213 76 H1 MET 1 HT1 MET 1 10.957 -1.365 13.960 77 H2 MET 1 H2 MET 1 11.516 -2.920 13.602 78 HA MET 1 HA MET 1 9.549 -3.908 14.522 79 HB2 MET 1 HB2 MET 1 8.800 -1.036 15.086 80 HB3 MET 1 HB3 MET 1 7.658 -2.371 15.153 81 HG2 MET 1 HG2 MET 1 9.767 -3.210 16.734 82 HG3 MET 1 HG3 MET 1 9.604 -1.494 17.102 83 HE1 MET 1 HE1 MET 1 9.246 -3.214 19.498 84 HE2 MET 1 HE2 MET 1 8.848 -4.650 18.553 85 HE3 MET 1 HE3 MET 1 7.710 -4.042 19.756 86 H GLU 2 H GLU 2 10.716 -2.493 12.042 87 HA GLU 2 HA GLU 2 8.212 -2.469 10.493 88 HB2 GLU 2 HB2 GLU 2 9.672 -1.074 8.846 89 HB3 GLU 2 HB3 GLU 2 8.965 -0.291 10.251 90 HG2 GLU 2 HG2 GLU 2 11.546 -1.369 10.904 91 HG3 GLU 2 HG3 GLU 2 11.650 -0.327 9.486 92 H GLU 3 H GLU 3 8.017 -3.923 8.915 93 HA GLU 3 HA GLU 3 10.317 -5.629 8.331 94 HB2 GLU 3 HB2 GLU 3 8.801 -7.274 7.615 95 HB3 GLU 3 HB3 GLU 3 8.040 -6.546 9.022 96 HG2 GLU 3 HG2 GLU 3 6.890 -5.030 7.209 97 HG3 GLU 3 HG3 GLU 3 7.278 -6.388 6.153 98 H LYS 4 H LYS 4 10.331 -6.534 6.004 99 HA LYS 4 HA LYS 4 10.400 -4.169 4.193 100 HB2 LYS 4 HB2 LYS 4 11.682 -5.895 2.749 101 HB3 LYS 4 HB3 LYS 4 12.481 -5.152 4.127 102 HG2 LYS 4 HG2 LYS 4 11.065 -7.706 4.596 103 HG3 LYS 4 HG3 LYS 4 12.558 -7.762 3.659 104 HD2 LYS 4 HD2 LYS 4 12.648 -6.142 6.121 105 HD3 LYS 4 HD3 LYS 4 12.460 -7.880 6.356 106 HE2 LYS 4 HE2 LYS 4 14.413 -7.845 4.492 107 HE3 LYS 4 HE3 LYS 4 14.755 -6.337 5.339 108 HZ1 LYS 4 HZ1 LYS 4 14.511 -9.013 6.603 109 HZ2 LYS 4 HZ2 LYS 4 14.841 -7.567 7.416 110 HZ3 LYS 4 HZ3 LYS 4 15.959 -8.188 6.309 111 H VAL 5 H VAL 5 10.014 -4.809 1.822 112 HA VAL 5 HA VAL 5 7.295 -5.655 1.603 113 HB VAL 5 HB VAL 5 9.312 -5.084 -0.576 114 HG11 VAL 5 HG11 VAL 5 7.523 -6.366 -1.499 115 HG12 VAL 5 HG12 VAL 5 7.273 -4.679 -1.959 116 HG13 VAL 5 HG13 VAL 5 6.319 -5.389 -0.657 117 HG21 VAL 5 HG21 VAL 5 7.215 -3.301 0.661 118 HG22 VAL 5 HG22 VAL 5 8.255 -2.882 -0.701 119 HG23 VAL 5 HG23 VAL 5 8.959 -3.165 0.891 120 H GLY 6 H GLY 6 10.425 -7.103 0.875 121 HA2 GLY 6 HA2 GLY 6 9.307 -9.387 -0.463 122 HA3 GLY 6 HA3 GLY 6 10.980 -9.184 0.036 123 H ASN 7 H ASN 7 9.068 -8.553 2.670 124 HA ASN 7 HA ASN 7 9.089 -11.363 3.543 125 HB2 ASN 7 HB2 ASN 7 10.921 -9.716 4.449 126 HB3 ASN 7 HB3 ASN 7 9.619 -9.158 5.491 127 HD21 ASN 7 HD21 ASN 7 10.099 -9.941 7.414 128 HD22 ASN 7 HD22 ASN 7 10.446 -11.564 7.770 129 H LEU 8 H LEU 8 7.173 -8.802 2.868 130 HA LEU 8 HA LEU 8 5.432 -8.851 5.161 131 HB2 LEU 8 HB2 LEU 8 4.334 -7.120 4.187 132 HB3 LEU 8 HB3 LEU 8 5.840 -6.996 3.301 133 HG LEU 8 HG LEU 8 4.456 -8.689 1.691 134 HD11 LEU 8 HD11 LEU 8 2.310 -8.753 2.319 135 HD12 LEU 8 HD12 LEU 8 2.222 -7.075 1.673 136 HD13 LEU 8 HD13 LEU 8 2.523 -7.355 3.408 137 HD21 LEU 8 HD21 LEU 8 5.625 -6.807 0.849 138 HD22 LEU 8 HD22 LEU 8 4.558 -5.686 1.697 139 HD23 LEU 8 HD23 LEU 8 3.942 -6.639 0.347 140 H LYS 9 H LYS 9 3.246 -9.663 5.170 141 HA LYS 9 HA LYS 9 2.525 -11.541 3.124 142 HB2 LYS 9 HB2 LYS 9 1.974 -13.103 4.642 143 HB3 LYS 9 HB3 LYS 9 3.545 -12.614 5.033 144 HG2 LYS 9 HG2 LYS 9 2.881 -12.137 7.133 145 HG3 LYS 9 HG3 LYS 9 1.617 -11.122 6.485 146 HD2 LYS 9 HD2 LYS 9 0.267 -12.638 7.511 147 HD3 LYS 9 HD3 LYS 9 0.526 -13.529 6.009 148 HE2 LYS 9 HE2 LYS 9 1.310 -15.195 7.262 149 HE3 LYS 9 HE3 LYS 9 2.719 -14.183 7.575 150 HZ1 LYS 9 HZ1 LYS 9 1.602 -13.303 9.532 151 HZ2 LYS 9 HZ2 LYS 9 1.744 -14.986 9.627 152 HZ3 LYS 9 HZ3 LYS 9 0.257 -14.285 9.234 153 HA PRO 10 HA PRO 10 -1.400 -9.537 3.414 154 HB2 PRO 10 HB2 PRO 10 -3.057 -11.402 2.416 155 HB3 PRO 10 HB3 PRO 10 -1.883 -10.557 1.435 156 HG2 PRO 10 HG2 PRO 10 -1.743 -13.298 2.603 157 HG3 PRO 10 HG3 PRO 10 -1.222 -12.756 0.997 158 HD2 PRO 10 HD2 PRO 10 0.563 -13.080 3.089 159 HD3 PRO 10 HD3 PRO 10 0.783 -12.000 1.747 160 H ASN 11 H ASN 11 -3.571 -9.715 4.315 161 HA ASN 11 HA ASN 11 -5.113 -10.220 5.940 162 HB2 ASN 11 HB2 ASN 11 -3.705 -12.776 5.590 163 HB3 ASN 11 HB3 ASN 11 -4.470 -12.581 7.164 164 HD21 ASN 11 HD21 ASN 11 -5.018 -12.560 3.697 165 HD22 ASN 11 HD22 ASN 11 -6.725 -12.934 3.779 166 H MET 12 H MET 12 -2.495 -8.846 6.542 167 HA MET 12 HA MET 12 -2.347 -9.377 9.383 168 HB2 MET 12 HB2 MET 12 -0.487 -7.917 7.504 169 HB3 MET 12 HB3 MET 12 -0.291 -8.027 9.199 170 HG2 MET 12 HG2 MET 12 -0.553 -10.639 8.572 171 HG3 MET 12 HG3 MET 12 0.229 -9.965 7.153 172 HE1 MET 12 HE1 MET 12 2.624 -9.137 6.996 173 HE2 MET 12 HE2 MET 12 3.647 -8.759 8.403 174 HE3 MET 12 HE3 MET 12 2.210 -7.792 8.072 175 H GLU 13 H GLU 13 -3.237 -7.996 10.769 176 HA GLU 13 HA GLU 13 -4.436 -5.558 9.778 177 HB2 GLU 13 HB2 GLU 13 -4.450 -6.137 12.684 178 HB3 GLU 13 HB3 GLU 13 -5.753 -5.597 11.636 179 HG2 GLU 13 HG2 GLU 13 -5.491 -8.051 10.671 180 HG3 GLU 13 HG3 GLU 13 -4.852 -8.343 12.288 181 H SER 14 H SER 14 -1.417 -6.065 10.240 182 HA SER 14 HA SER 14 -0.849 -3.378 11.103 183 HB2 SER 14 HB2 SER 14 0.886 -4.334 12.807 184 HB3 SER 14 HB3 SER 14 -0.800 -4.182 13.294 185 HG SER 14 HG SER 14 0.471 -6.537 12.355 186 H VAL 15 H VAL 15 0.544 -2.716 9.608 187 HA VAL 15 HA VAL 15 2.820 -4.434 8.936 188 HB VAL 15 HB VAL 15 1.703 -2.944 6.644 189 HG11 VAL 15 HG11 VAL 15 2.414 -4.960 5.443 190 HG12 VAL 15 HG12 VAL 15 2.821 -5.725 6.979 191 HG13 VAL 15 HG13 VAL 15 3.709 -4.299 6.441 192 HG21 VAL 15 HG21 VAL 15 -0.170 -4.169 6.242 193 HG22 VAL 15 HG22 VAL 15 -0.204 -4.211 8.007 194 HG23 VAL 15 HG23 VAL 15 0.435 -5.585 7.103 195 H ASN 16 H ASN 16 4.519 -3.286 9.515 196 HA ASN 16 HA ASN 16 4.588 -0.393 9.004 197 HB2 ASN 16 HB2 ASN 16 5.240 -1.885 11.260 198 HB3 ASN 16 HB3 ASN 16 6.743 -1.289 10.586 199 HD21 ASN 16 HD21 ASN 16 6.345 1.100 9.729 200 HD22 ASN 16 HD22 ASN 16 5.700 2.143 10.968 201 H VAL 17 H VAL 17 5.930 0.372 7.451 202 HA VAL 17 HA VAL 17 8.353 -1.047 6.782 203 HB VAL 17 HB VAL 17 6.988 -2.439 5.544 204 HG11 VAL 17 HG11 VAL 17 5.024 -0.741 5.776 205 HG12 VAL 17 HG12 VAL 17 5.029 -1.918 4.442 206 HG13 VAL 17 HG13 VAL 17 5.525 -0.254 4.141 207 HG21 VAL 17 HG21 VAL 17 8.839 -1.740 4.171 208 HG22 VAL 17 HG22 VAL 17 7.984 -0.274 3.693 209 HG23 VAL 17 HG23 VAL 17 7.418 -1.846 3.131 210 H THR 18 H THR 18 9.711 0.081 5.343 211 HA THR 18 HA THR 18 8.973 2.885 4.847 212 HB THR 18 HB THR 18 11.853 2.259 4.887 213 HG1 THR 18 HG1 THR 18 11.823 2.312 7.257 214 HG21 THR 18 HG21 THR 18 10.055 4.481 5.418 215 HG22 THR 18 HG22 THR 18 11.765 4.496 4.942 216 HG23 THR 18 HG23 THR 18 11.310 4.326 6.651 217 H VAL 19 H VAL 19 9.130 3.547 2.707 218 HA VAL 19 HA VAL 19 10.661 2.088 0.833 219 HB VAL 19 HB VAL 19 8.793 1.665 -0.728 220 HG11 VAL 19 HG11 VAL 19 9.516 -0.172 0.548 221 HG12 VAL 19 HG12 VAL 19 7.722 -0.092 0.390 222 HG13 VAL 19 HG13 VAL 19 8.556 0.419 1.960 223 HG21 VAL 19 HG21 VAL 19 7.142 3.218 -0.104 224 HG22 VAL 19 HG22 VAL 19 7.159 2.684 1.576 225 HG23 VAL 19 HG23 VAL 19 6.470 1.644 0.330 226 H ARG 20 H ARG 20 10.018 3.027 -1.467 227 HA ARG 20 HA ARG 20 9.811 5.897 -1.185 228 HB2 ARG 20 HB2 ARG 20 12.024 4.891 -1.914 229 HB3 ARG 20 HB3 ARG 20 11.266 4.489 -3.417 230 HG2 ARG 20 HG2 ARG 20 11.966 6.547 -4.090 231 HG3 ARG 20 HG3 ARG 20 10.696 7.197 -3.051 232 HD2 ARG 20 HD2 ARG 20 12.237 7.342 -1.196 233 HD3 ARG 20 HD3 ARG 20 13.506 6.579 -2.152 234 HE ARG 20 HE ARG 20 12.395 9.261 -2.664 235 HH11 ARG 20 HH11 ARG 20 14.984 6.931 -2.867 236 HH12 ARG 20 HH12 ARG 20 16.112 8.055 -3.547 237 HH21 ARG 20 HH21 ARG 20 13.876 10.744 -3.559 238 HH22 ARG 20 HH22 ARG 20 15.483 10.222 -3.940 239 H VAL 21 H VAL 21 8.705 7.084 -2.868 240 HA VAL 21 HA VAL 21 6.378 5.633 -3.837 241 HB VAL 21 HB VAL 21 7.281 8.485 -4.600 242 HG11 VAL 21 HG11 VAL 21 4.892 8.832 -4.968 243 HG12 VAL 21 HG12 VAL 21 4.608 7.126 -4.623 244 HG13 VAL 21 HG13 VAL 21 5.557 7.596 -6.033 245 HG21 VAL 21 HG21 VAL 21 5.904 9.262 -2.766 246 HG22 VAL 21 HG22 VAL 21 7.229 8.255 -2.181 247 HG23 VAL 21 HG23 VAL 21 5.598 7.593 -2.285 248 H LEU 22 H LEU 22 6.150 4.684 -5.732 249 HA LEU 22 HA LEU 22 8.170 5.038 -7.820 250 HB2 LEU 22 HB2 LEU 22 6.175 2.796 -7.569 251 HB3 LEU 22 HB3 LEU 22 7.582 2.859 -8.569 252 HG LEU 22 HG LEU 22 7.532 2.584 -5.594 253 HD11 LEU 22 HD11 LEU 22 8.682 0.738 -7.671 254 HD12 LEU 22 HD12 LEU 22 7.061 0.568 -6.998 255 HD13 LEU 22 HD13 LEU 22 8.469 0.430 -5.947 256 HD21 LEU 22 HD21 LEU 22 9.995 2.674 -7.322 257 HD22 LEU 22 HD22 LEU 22 9.882 2.656 -5.561 258 HD23 LEU 22 HD23 LEU 22 9.370 4.081 -6.456 259 H GLU 23 H GLU 23 4.874 5.388 -7.006 260 HA GLU 23 HA GLU 23 4.348 6.912 -9.432 261 HB2 GLU 23 HB2 GLU 23 4.003 4.352 -9.918 262 HB3 GLU 23 HB3 GLU 23 2.495 4.592 -9.044 263 HG2 GLU 23 HG2 GLU 23 1.620 5.193 -10.994 264 HG3 GLU 23 HG3 GLU 23 2.533 6.691 -10.827 265 H ALA 24 H ALA 24 2.031 7.726 -9.438 266 HA ALA 24 HA ALA 24 0.563 7.587 -6.983 267 HB1 ALA 24 HB1 ALA 24 1.976 10.173 -7.646 268 HB2 ALA 24 HB2 ALA 24 2.357 9.100 -6.298 269 HB3 ALA 24 HB3 ALA 24 0.805 9.937 -6.347 270 H SER 25 H SER 25 -1.520 7.866 -7.435 271 HA SER 25 HA SER 25 -2.220 9.321 -9.906 272 HB2 SER 25 HB2 SER 25 -2.754 6.703 -9.380 273 HB3 SER 25 HB3 SER 25 -4.223 7.469 -8.777 274 HG SER 25 HG SER 25 -3.832 6.860 -11.203 275 H GLU 26 H GLU 26 -4.139 10.616 -9.885 276 HA GLU 26 HA GLU 26 -4.462 12.137 -7.541 277 HB2 GLU 26 HB2 GLU 26 -6.374 12.053 -9.874 278 HB3 GLU 26 HB3 GLU 26 -6.091 13.370 -8.760 279 HG2 GLU 26 HG2 GLU 26 -3.992 12.335 -10.626 280 HG3 GLU 26 HG3 GLU 26 -5.091 13.651 -11.032 281 H ALA 27 H ALA 27 -6.386 12.451 -6.317 282 HA ALA 27 HA ALA 27 -7.435 9.918 -5.501 283 HB1 ALA 27 HB1 ALA 27 -8.277 11.174 -3.593 284 HB2 ALA 27 HB2 ALA 27 -7.818 12.681 -4.390 285 HB3 ALA 27 HB3 ALA 27 -6.559 11.511 -3.922 286 H ARG 28 H ARG 28 -9.292 9.020 -5.918 287 HA ARG 28 HA ARG 28 -11.436 10.613 -7.165 288 HB2 ARG 28 HB2 ARG 28 -11.544 9.214 -8.939 289 HB3 ARG 28 HB3 ARG 28 -9.932 8.713 -8.455 290 HG2 ARG 28 HG2 ARG 28 -11.827 7.200 -6.961 291 HG3 ARG 28 HG3 ARG 28 -12.285 7.150 -8.661 292 HD2 ARG 28 HD2 ARG 28 -10.017 6.403 -9.236 293 HD3 ARG 28 HD3 ARG 28 -9.579 6.439 -7.527 294 HE ARG 28 HE ARG 28 -11.868 4.791 -8.127 295 HH11 ARG 28 HH11 ARG 28 -8.388 4.873 -7.857 296 HH12 ARG 28 HH12 ARG 28 -8.243 3.168 -7.590 297 HH21 ARG 28 HH21 ARG 28 -11.680 2.546 -7.766 298 HH22 ARG 28 HH22 ARG 28 -10.112 1.845 -7.540 299 H GLN 29 H GLN 29 -13.571 9.299 -7.154 300 HA GLN 29 HA GLN 29 -14.039 8.315 -4.434 301 HB2 GLN 29 HB2 GLN 29 -15.921 9.308 -6.584 302 HB3 GLN 29 HB3 GLN 29 -16.464 8.619 -5.061 303 HG2 GLN 29 HG2 GLN 29 -15.211 10.399 -3.888 304 HG3 GLN 29 HG3 GLN 29 -14.867 11.130 -5.449 305 HE21 GLN 29 HE21 GLN 29 -17.348 10.400 -3.109 306 HE22 GLN 29 HE22 GLN 29 -18.544 11.473 -3.745 307 H ILE 30 H ILE 30 -14.891 6.304 -4.026 308 HA ILE 30 HA ILE 30 -15.418 4.576 -6.350 309 HB ILE 30 HB ILE 30 -14.364 2.712 -5.325 310 HG12 ILE 30 HG12 ILE 30 -13.691 4.309 -2.879 311 HG13 ILE 30 HG13 ILE 30 -15.241 3.476 -3.024 312 HG21 ILE 30 HG21 ILE 30 -12.688 5.196 -5.062 313 HG22 ILE 30 HG22 ILE 30 -12.671 3.989 -6.350 314 HG23 ILE 30 HG23 ILE 30 -12.025 3.586 -4.753 315 HD11 ILE 30 HD11 ILE 30 -14.141 1.351 -3.208 316 HD12 ILE 30 HD12 ILE 30 -13.499 2.192 -1.796 317 HD13 ILE 30 HD13 ILE 30 -12.560 2.127 -3.287 318 H GLN 31 H GLN 31 -16.889 2.786 -5.842 319 HA GLN 31 HA GLN 31 -18.830 3.519 -3.765 320 HB2 GLN 31 HB2 GLN 31 -19.202 2.265 -6.478 321 HB3 GLN 31 HB3 GLN 31 -20.447 2.182 -5.241 322 HG2 GLN 31 HG2 GLN 31 -20.567 4.609 -5.178 323 HG3 GLN 31 HG3 GLN 31 -19.285 4.713 -6.384 324 HE21 GLN 31 HE21 GLN 31 -19.731 4.176 -8.518 325 HE22 GLN 31 HE22 GLN 31 -21.344 4.035 -9.117 326 H THR 32 H THR 32 -18.730 2.224 -2.067 327 HA THR 32 HA THR 32 -18.101 -0.628 -2.475 328 HB THR 32 HB THR 32 -17.409 -0.740 -0.159 329 HG1 THR 32 HG1 THR 32 -18.475 1.854 -0.121 330 HG21 THR 32 HG21 THR 32 -16.211 1.264 -1.990 331 HG22 THR 32 HG22 THR 32 -15.544 -0.249 -1.380 332 HG23 THR 32 HG23 THR 32 -15.584 1.182 -0.340 333 H LYS 33 H LYS 33 -18.943 -1.742 -0.210 334 HA LYS 33 HA LYS 33 -21.803 -1.755 -0.560 335 HB2 LYS 33 HB2 LYS 33 -21.772 -3.685 0.934 336 HB3 LYS 33 HB3 LYS 33 -20.551 -3.859 -0.318 337 HG2 LYS 33 HG2 LYS 33 -18.799 -3.323 1.195 338 HG3 LYS 33 HG3 LYS 33 -19.948 -2.835 2.442 339 HD2 LYS 33 HD2 LYS 33 -20.807 -5.203 2.420 340 HD3 LYS 33 HD3 LYS 33 -19.431 -5.610 1.392 341 HE2 LYS 33 HE2 LYS 33 -17.896 -4.846 3.127 342 HE3 LYS 33 HE3 LYS 33 -19.260 -4.390 4.147 343 HZ1 LYS 33 HZ1 LYS 33 -18.547 -7.137 3.271 344 HZ2 LYS 33 HZ2 LYS 33 -19.943 -6.743 4.140 345 HZ3 LYS 33 HZ3 LYS 33 -18.420 -6.510 4.838 346 H ASN 34 H ASN 34 -19.656 -0.021 1.293 347 HA ASN 34 HA ASN 34 -21.619 0.375 3.458 348 HB2 ASN 34 HB2 ASN 34 -18.637 0.887 3.436 349 HB3 ASN 34 HB3 ASN 34 -19.711 1.333 4.758 350 HD21 ASN 34 HD21 ASN 34 -20.659 -0.294 6.012 351 HD22 ASN 34 HD22 ASN 34 -20.016 -1.896 6.050 352 H GLY 35 H GLY 35 -21.005 1.654 0.624 353 HA2 GLY 35 HA2 GLY 35 -22.210 3.763 0.181 354 HA3 GLY 35 HA3 GLY 35 -21.395 4.424 1.590 355 H VAL 36 H VAL 36 -20.692 6.142 0.142 356 HA VAL 36 HA VAL 36 -18.596 5.278 -1.712 357 HB VAL 36 HB VAL 36 -20.315 6.659 -2.730 358 HG11 VAL 36 HG11 VAL 36 -20.638 8.988 -2.139 359 HG12 VAL 36 HG12 VAL 36 -19.420 8.866 -0.870 360 HG13 VAL 36 HG13 VAL 36 -20.935 7.974 -0.726 361 HG21 VAL 36 HG21 VAL 36 -17.691 8.121 -2.526 362 HG22 VAL 36 HG22 VAL 36 -18.880 8.273 -3.821 363 HG23 VAL 36 HG23 VAL 36 -18.029 6.745 -3.578 364 H ARG 37 H ARG 37 -16.581 5.895 -1.589 365 HA ARG 37 HA ARG 37 -15.620 7.657 0.548 366 HB2 ARG 37 HB2 ARG 37 -13.833 6.086 0.889 367 HB3 ARG 37 HB3 ARG 37 -15.356 5.685 1.609 368 HG2 ARG 37 HG2 ARG 37 -14.739 4.543 -1.066 369 HG3 ARG 37 HG3 ARG 37 -13.975 3.833 0.354 370 HD2 ARG 37 HD2 ARG 37 -16.888 4.376 0.420 371 HD3 ARG 37 HD3 ARG 37 -16.310 2.988 -0.494 372 HE ARG 37 HE ARG 37 -15.397 2.100 1.560 373 HH11 ARG 37 HH11 ARG 37 -17.614 4.785 1.911 374 HH12 ARG 37 HH12 ARG 37 -17.975 4.431 3.566 375 HH21 ARG 37 HH21 ARG 37 -15.866 1.649 3.739 376 HH22 ARG 37 HH22 ARG 37 -16.982 2.651 4.604 377 H THR 38 H THR 38 -13.231 8.088 0.239 378 HA THR 38 HA THR 38 -12.806 8.471 -2.654 379 HB THR 38 HB THR 38 -11.440 10.531 -1.764 380 HG1 THR 38 HG1 THR 38 -11.730 10.756 0.323 381 HG21 THR 38 HG21 THR 38 -14.447 10.560 -1.963 382 HG22 THR 38 HG22 THR 38 -13.318 10.701 -3.311 383 HG23 THR 38 HG23 THR 38 -13.399 11.973 -2.091 384 H ILE 39 H ILE 39 -11.247 7.185 -3.219 385 HA ILE 39 HA ILE 39 -8.854 7.118 -1.520 386 HB ILE 39 HB ILE 39 -8.579 4.732 -2.144 387 HG12 ILE 39 HG12 ILE 39 -11.459 4.507 -2.715 388 HG13 ILE 39 HG13 ILE 39 -10.483 5.199 -4.012 389 HG21 ILE 39 HG21 ILE 39 -9.456 4.326 -0.159 390 HG22 ILE 39 HG22 ILE 39 -11.088 4.498 -0.805 391 HG23 ILE 39 HG23 ILE 39 -10.222 5.909 -0.215 392 HD11 ILE 39 HD11 ILE 39 -8.962 3.106 -3.429 393 HD12 ILE 39 HD12 ILE 39 -10.329 2.989 -4.531 394 HD13 ILE 39 HD13 ILE 39 -10.505 2.477 -2.853 395 H SER 40 H SER 40 -7.023 6.098 -2.712 396 HA SER 40 HA SER 40 -7.080 6.492 -5.587 397 HB2 SER 40 HB2 SER 40 -6.460 8.700 -4.512 398 HB3 SER 40 HB3 SER 40 -5.006 7.888 -3.901 399 HG SER 40 HG SER 40 -5.368 8.965 -6.273 400 H GLU 41 H GLU 41 -4.925 5.866 -6.531 401 HA GLU 41 HA GLU 41 -3.762 3.731 -4.916 402 HB2 GLU 41 HB2 GLU 41 -5.331 3.181 -6.942 403 HB3 GLU 41 HB3 GLU 41 -3.927 3.602 -7.906 404 HG2 GLU 41 HG2 GLU 41 -3.032 1.818 -5.923 405 HG3 GLU 41 HG3 GLU 41 -4.543 1.161 -6.554 406 H ALA 42 H ALA 42 -1.575 3.514 -4.919 407 HA ALA 42 HA ALA 42 0.075 5.129 -6.712 408 HB1 ALA 42 HB1 ALA 42 -0.475 6.611 -4.827 409 HB2 ALA 42 HB2 ALA 42 1.245 6.233 -4.907 410 HB3 ALA 42 HB3 ALA 42 0.222 5.433 -3.714 411 H ILE 43 H ILE 43 1.878 4.048 -7.237 412 HA ILE 43 HA ILE 43 2.431 1.511 -5.972 413 HB ILE 43 HB ILE 43 3.892 2.826 -8.266 414 HG12 ILE 43 HG12 ILE 43 1.579 2.622 -8.896 415 HG13 ILE 43 HG13 ILE 43 2.476 1.341 -9.703 416 HG21 ILE 43 HG21 ILE 43 4.698 0.643 -8.812 417 HG22 ILE 43 HG22 ILE 43 3.710 -0.093 -7.551 418 HG23 ILE 43 HG23 ILE 43 5.060 0.952 -7.114 419 HD11 ILE 43 HD11 ILE 43 1.729 -0.209 -7.894 420 HD12 ILE 43 HD12 ILE 43 0.432 0.432 -8.907 421 HD13 ILE 43 HD13 ILE 43 0.702 1.097 -7.296 422 H VAL 44 H VAL 44 3.954 1.136 -4.536 423 HA VAL 44 HA VAL 44 6.299 2.860 -4.179 424 HB VAL 44 HB VAL 44 6.069 1.705 -1.626 425 HG11 VAL 44 HG11 VAL 44 5.087 4.209 -2.877 426 HG12 VAL 44 HG12 VAL 44 5.570 3.951 -1.193 427 HG13 VAL 44 HG13 VAL 44 3.890 3.611 -1.711 428 HG21 VAL 44 HG21 VAL 44 4.073 0.512 -2.555 429 HG22 VAL 44 HG22 VAL 44 3.333 2.112 -2.797 430 HG23 VAL 44 HG23 VAL 44 3.725 1.554 -1.164 431 H GLY 45 H GLY 45 7.947 1.774 -3.027 432 HA2 GLY 45 HA2 GLY 45 7.991 -0.884 -2.339 433 HA3 GLY 45 HA3 GLY 45 8.531 -0.869 -4.010 434 H ASP 46 H ASP 46 10.220 -1.880 -2.216 435 HA ASP 46 HA ASP 46 12.277 0.210 -1.961 436 HB2 ASP 46 HB2 ASP 46 13.090 -0.960 0.083 437 HB3 ASP 46 HB3 ASP 46 11.479 -0.280 0.272 438 H GLU 47 H GLU 47 14.342 -1.426 -1.118 439 HA GLU 47 HA GLU 47 15.111 -2.641 -3.578 440 HB2 GLU 47 HB2 GLU 47 17.187 -3.281 -2.256 441 HB3 GLU 47 HB3 GLU 47 16.846 -1.563 -2.402 442 HG2 GLU 47 HG2 GLU 47 16.667 -1.312 -0.200 443 HG3 GLU 47 HG3 GLU 47 15.627 -2.726 -0.043 444 H THR 48 H THR 48 13.125 -3.783 -1.227 445 HA THR 48 HA THR 48 14.097 -6.549 -1.454 446 HB THR 48 HB THR 48 12.952 -7.063 0.503 447 HG1 THR 48 HG1 THR 48 11.096 -5.474 -0.434 448 HG21 THR 48 HG21 THR 48 14.824 -5.320 0.725 449 HG22 THR 48 HG22 THR 48 13.758 -5.565 2.108 450 HG23 THR 48 HG23 THR 48 13.524 -4.171 1.051 451 H GLY 49 H GLY 49 12.063 -4.599 -3.133 452 HA2 GLY 49 HA2 GLY 49 10.918 -6.227 -4.825 453 HA3 GLY 49 HA3 GLY 49 9.931 -6.577 -3.417 454 H ARG 50 H ARG 50 8.055 -5.835 -4.320 455 HA ARG 50 HA ARG 50 7.648 -3.008 -4.218 456 HB2 ARG 50 HB2 ARG 50 8.424 -3.228 -6.506 457 HB3 ARG 50 HB3 ARG 50 7.292 -4.545 -6.791 458 HG2 ARG 50 HG2 ARG 50 5.548 -2.719 -6.041 459 HG3 ARG 50 HG3 ARG 50 6.817 -1.639 -6.615 460 HD2 ARG 50 HD2 ARG 50 5.901 -3.959 -8.275 461 HD3 ARG 50 HD3 ARG 50 4.988 -2.456 -8.258 462 HE ARG 50 HE ARG 50 7.829 -2.293 -8.857 463 HH11 ARG 50 HH11 ARG 50 4.547 -2.245 -10.021 464 HH12 ARG 50 HH12 ARG 50 4.962 -1.539 -11.546 465 HH21 ARG 50 HH21 ARG 50 8.388 -1.363 -10.863 466 HH22 ARG 50 HH22 ARG 50 7.146 -1.038 -12.026 467 H VAL 51 H VAL 51 5.564 -2.519 -3.868 468 HA VAL 51 HA VAL 51 3.478 -4.507 -4.071 469 HB VAL 51 HB VAL 51 4.310 -4.997 -1.871 470 HG11 VAL 51 HG11 VAL 51 4.042 -2.048 -1.279 471 HG12 VAL 51 HG12 VAL 51 5.553 -2.941 -1.448 472 HG13 VAL 51 HG13 VAL 51 4.464 -3.296 -0.107 473 HG21 VAL 51 HG21 VAL 51 1.848 -3.289 -1.744 474 HG22 VAL 51 HG22 VAL 51 2.346 -4.439 -0.502 475 HG23 VAL 51 HG23 VAL 51 1.914 -5.009 -2.116 476 H LYS 52 H LYS 52 1.592 -3.596 -4.653 477 HA LYS 52 HA LYS 52 1.393 -0.839 -5.200 478 HB2 LYS 52 HB2 LYS 52 -1.015 -2.610 -4.960 479 HB3 LYS 52 HB3 LYS 52 -0.704 -1.319 -6.112 480 HG2 LYS 52 HG2 LYS 52 1.298 -3.242 -6.534 481 HG3 LYS 52 HG3 LYS 52 -0.217 -4.128 -6.360 482 HD2 LYS 52 HD2 LYS 52 -1.225 -2.938 -8.141 483 HD3 LYS 52 HD3 LYS 52 0.075 -1.743 -8.172 484 HE2 LYS 52 HE2 LYS 52 0.337 -3.268 -10.027 485 HE3 LYS 52 HE3 LYS 52 1.648 -3.520 -8.872 486 HZ1 LYS 52 HZ1 LYS 52 0.470 -5.440 -8.005 487 HZ2 LYS 52 HZ2 LYS 52 0.726 -5.616 -9.668 488 HZ3 LYS 52 HZ3 LYS 52 -0.805 -5.190 -9.089 489 H LEU 53 H LEU 53 0.698 0.848 -4.000 490 HA LEU 53 HA LEU 53 -0.348 0.307 -1.310 491 HB2 LEU 53 HB2 LEU 53 1.746 1.741 -1.768 492 HB3 LEU 53 HB3 LEU 53 0.626 2.970 -2.308 493 HG LEU 53 HG LEU 53 1.523 3.116 0.088 494 HD11 LEU 53 HD11 LEU 53 -0.315 4.490 -0.723 495 HD12 LEU 53 HD12 LEU 53 -0.577 3.995 0.949 496 HD13 LEU 53 HD13 LEU 53 -1.457 3.195 -0.354 497 HD21 LEU 53 HD21 LEU 53 0.340 1.848 1.772 498 HD22 LEU 53 HD22 LEU 53 1.177 0.761 0.664 499 HD23 LEU 53 HD23 LEU 53 -0.565 0.992 0.526 500 H THR 54 H THR 54 -2.223 1.104 -0.617 501 HA THR 54 HA THR 54 -3.882 2.639 -2.454 502 HB THR 54 HB THR 54 -5.325 0.767 -0.675 503 HG1 THR 54 HG1 THR 54 -4.122 -0.119 -3.114 504 HG21 THR 54 HG21 THR 54 -5.608 2.153 -3.274 505 HG22 THR 54 HG22 THR 54 -6.786 1.948 -1.981 506 HG23 THR 54 HG23 THR 54 -6.453 0.625 -3.096 507 H LEU 55 H LEU 55 -4.209 4.482 -1.577 508 HA LEU 55 HA LEU 55 -4.161 4.952 1.256 509 HB2 LEU 55 HB2 LEU 55 -4.941 6.930 -0.810 510 HB3 LEU 55 HB3 LEU 55 -4.033 7.182 0.649 511 HG LEU 55 HG LEU 55 -2.580 5.401 -1.049 512 HD11 LEU 55 HD11 LEU 55 -2.153 7.515 -2.646 513 HD12 LEU 55 HD12 LEU 55 -3.878 7.662 -2.336 514 HD13 LEU 55 HD13 LEU 55 -3.241 6.181 -3.034 515 HD21 LEU 55 HD21 LEU 55 -1.637 6.777 0.753 516 HD22 LEU 55 HD22 LEU 55 -1.981 8.222 -0.202 517 HD23 LEU 55 HD23 LEU 55 -0.826 7.027 -0.793 518 H TRP 56 H TRP 56 -5.934 5.983 2.411 519 HA TRP 56 HA TRP 56 -8.543 5.564 1.133 520 HB2 TRP 56 HB2 TRP 56 -7.566 4.546 3.765 521 HB3 TRP 56 HB3 TRP 56 -9.283 4.787 3.499 522 HD1 TRP 56 HD1 TRP 56 -6.377 2.497 2.529 523 HE1 TRP 56 HE1 TRP 56 -7.261 0.517 1.175 524 HE3 TRP 56 HE3 TRP 56 -11.238 4.055 1.888 525 HZ2 TRP 56 HZ2 TRP 56 -9.749 -0.302 0.034 526 HZ3 TRP 56 HZ3 TRP 56 -12.775 2.606 0.654 527 HH2 TRP 56 HH2 TRP 56 -12.052 0.481 -0.251 528 H GLY 57 H GLY 57 -9.848 7.150 1.165 529 HA2 GLY 57 HA2 GLY 57 -10.976 9.043 1.648 530 HA3 GLY 57 HA3 GLY 57 -10.494 8.846 3.304 531 H LYS 58 H LYS 58 -8.697 10.083 4.079 532 HA LYS 58 HA LYS 58 -8.153 12.421 2.467 533 HB2 LYS 58 HB2 LYS 58 -6.712 12.988 4.604 534 HB3 LYS 58 HB3 LYS 58 -8.460 13.155 4.603 535 HG2 LYS 58 HG2 LYS 58 -7.928 12.107 6.627 536 HG3 LYS 58 HG3 LYS 58 -8.537 10.819 5.589 537 HD2 LYS 58 HD2 LYS 58 -5.904 10.709 5.009 538 HD3 LYS 58 HD3 LYS 58 -5.837 11.261 6.683 539 HE2 LYS 58 HE2 LYS 58 -7.542 8.937 5.867 540 HE3 LYS 58 HE3 LYS 58 -5.826 8.738 6.221 541 HZ1 LYS 58 HZ1 LYS 58 -7.154 8.297 8.178 542 HZ2 LYS 58 HZ2 LYS 58 -7.887 9.819 8.074 543 HZ3 LYS 58 HZ3 LYS 58 -6.237 9.699 8.424 544 H HIS 59 H HIS 59 -6.462 9.500 3.254 545 HA HIS 59 HA HIS 59 -3.839 10.432 2.666 546 HB2 HIS 59 HB2 HIS 59 -5.124 7.729 2.939 547 HB3 HIS 59 HB3 HIS 59 -3.500 7.877 2.282 548 HD2 HIS 59 HD2 HIS 59 -4.843 7.008 5.559 549 HE1 HIS 59 HE1 HIS 59 -1.473 9.438 6.446 550 HE2 HIS 59 HE2 HIS 59 -3.157 7.785 7.330 551 H ALA 60 H ALA 60 -6.568 9.497 0.818 552 HA ALA 60 HA ALA 60 -5.438 8.568 -1.540 553 HB1 ALA 60 HB1 ALA 60 -7.548 8.514 -2.239 554 HB2 ALA 60 HB2 ALA 60 -7.749 10.254 -2.002 555 HB3 ALA 60 HB3 ALA 60 -7.979 9.146 -0.645 556 H GLY 61 H GLY 61 -4.188 9.467 -3.032 557 HA2 GLY 61 HA2 GLY 61 -3.066 11.038 -4.248 558 HA3 GLY 61 HA3 GLY 61 -4.511 11.981 -4.129 559 H SER 62 H SER 62 -3.380 11.348 -1.048 560 HA SER 62 HA SER 62 -2.534 14.099 -0.749 561 HB2 SER 62 HB2 SER 62 -3.929 13.335 1.003 562 HB3 SER 62 HB3 SER 62 -2.997 11.835 1.191 563 HG SER 62 HG SER 62 -1.553 12.870 2.359 564 H ILE 63 H ILE 63 -1.034 11.065 -1.229 565 HA ILE 63 HA ILE 63 1.435 11.675 0.084 566 HB ILE 63 HB ILE 63 2.321 9.719 -1.314 567 HG12 ILE 63 HG12 ILE 63 -0.209 8.524 -1.801 568 HG13 ILE 63 HG13 ILE 63 -0.241 10.115 -2.551 569 HG21 ILE 63 HG21 ILE 63 1.256 8.098 0.140 570 HG22 ILE 63 HG22 ILE 63 -0.072 9.209 0.478 571 HG23 ILE 63 HG23 ILE 63 1.557 9.582 1.045 572 HD11 ILE 63 HD11 ILE 63 0.527 8.501 -4.144 573 HD12 ILE 63 HD12 ILE 63 1.775 7.937 -3.033 574 HD13 ILE 63 HD13 ILE 63 1.866 9.563 -3.711 575 H LYS 64 H LYS 64 3.526 11.469 -1.250 576 HA LYS 64 HA LYS 64 3.375 13.470 -3.385 577 HB2 LYS 64 HB2 LYS 64 5.283 12.876 -1.225 578 HB3 LYS 64 HB3 LYS 64 6.022 13.243 -2.778 579 HG2 LYS 64 HG2 LYS 64 4.623 15.325 -2.838 580 HG3 LYS 64 HG3 LYS 64 4.173 14.978 -1.168 581 HD2 LYS 64 HD2 LYS 64 6.808 14.781 -0.900 582 HD3 LYS 64 HD3 LYS 64 6.778 15.861 -2.297 583 HE2 LYS 64 HE2 LYS 64 5.543 17.501 -1.113 584 HE3 LYS 64 HE3 LYS 64 5.193 16.386 0.207 585 HZ1 LYS 64 HZ1 LYS 64 6.928 17.957 0.805 586 HZ2 LYS 64 HZ2 LYS 64 7.881 17.440 -0.494 587 HZ3 LYS 64 HZ3 LYS 64 7.540 16.379 0.778 588 H GLU 65 H GLU 65 5.608 13.163 -4.724 589 HA GLU 65 HA GLU 65 5.293 10.658 -6.143 590 HB2 GLU 65 HB2 GLU 65 6.144 13.349 -6.786 591 HB3 GLU 65 HB3 GLU 65 7.375 12.192 -7.270 592 HG2 GLU 65 HG2 GLU 65 5.950 11.104 -8.763 593 HG3 GLU 65 HG3 GLU 65 4.522 11.780 -7.965 594 H GLY 66 H GLY 66 7.767 10.113 -7.114 595 HA2 GLY 66 HA2 GLY 66 8.894 8.429 -5.325 596 HA3 GLY 66 HA3 GLY 66 9.828 9.223 -6.572 597 H GLN 67 H GLN 67 8.806 9.327 -3.240 598 HA GLN 67 HA GLN 67 11.203 10.821 -2.479 599 HB2 GLN 67 HB2 GLN 67 9.921 12.201 -0.929 600 HB3 GLN 67 HB3 GLN 67 9.336 12.461 -2.566 601 HG2 GLN 67 HG2 GLN 67 7.310 12.160 -1.742 602 HG3 GLN 67 HG3 GLN 67 7.717 10.448 -1.686 603 HE21 GLN 67 HE21 GLN 67 8.452 9.562 0.280 604 HE22 GLN 67 HE22 GLN 67 8.056 10.299 1.791 605 H VAL 68 H VAL 68 11.632 10.492 -0.051 606 HA VAL 68 HA VAL 68 11.222 7.727 0.517 607 HB VAL 68 HB VAL 68 12.558 9.690 2.353 608 HG11 VAL 68 HG11 VAL 68 12.564 6.796 1.856 609 HG12 VAL 68 HG12 VAL 68 12.359 7.652 3.381 610 HG13 VAL 68 HG13 VAL 68 13.960 7.526 2.648 611 HG21 VAL 68 HG21 VAL 68 14.645 9.221 1.223 612 HG22 VAL 68 HG22 VAL 68 13.485 10.018 0.145 613 HG23 VAL 68 HG23 VAL 68 13.739 8.246 0.045 614 H VAL 69 H VAL 69 9.453 7.057 1.492 615 HA VAL 69 HA VAL 69 8.217 8.781 3.538 616 HB VAL 69 HB VAL 69 6.292 6.897 2.780 617 HG11 VAL 69 HG11 VAL 69 5.001 8.793 2.112 618 HG12 VAL 69 HG12 VAL 69 6.453 9.773 1.907 619 HG13 VAL 69 HG13 VAL 69 5.969 9.240 3.518 620 HG21 VAL 69 HG21 VAL 69 8.029 7.475 0.548 621 HG22 VAL 69 HG22 VAL 69 6.381 8.017 0.235 622 HG23 VAL 69 HG23 VAL 69 6.689 6.334 0.664 623 H LYS 70 H LYS 70 6.685 7.298 4.949 624 HA LYS 70 HA LYS 70 8.004 4.768 5.571 625 HB2 LYS 70 HB2 LYS 70 8.956 6.656 6.991 626 HB3 LYS 70 HB3 LYS 70 7.366 6.774 7.732 627 HG2 LYS 70 HG2 LYS 70 7.997 4.077 7.883 628 HG3 LYS 70 HG3 LYS 70 9.509 4.909 8.244 629 HD2 LYS 70 HD2 LYS 70 8.209 6.319 9.882 630 HD3 LYS 70 HD3 LYS 70 6.854 5.213 9.634 631 HE2 LYS 70 HE2 LYS 70 8.283 3.341 10.353 632 HE3 LYS 70 HE3 LYS 70 9.598 4.478 10.650 633 HZ1 LYS 70 HZ1 LYS 70 8.423 3.937 12.686 634 HZ2 LYS 70 HZ2 LYS 70 6.965 4.484 12.025 635 HZ3 LYS 70 HZ3 LYS 70 8.225 5.575 12.310 636 H ILE 71 H ILE 71 6.380 3.387 5.282 637 HA ILE 71 HA ILE 71 3.649 4.094 5.813 638 HB ILE 71 HB ILE 71 4.821 1.384 5.186 639 HG12 ILE 71 HG12 ILE 71 5.159 3.304 3.509 640 HG13 ILE 71 HG13 ILE 71 4.438 1.807 2.907 641 HG21 ILE 71 HG21 ILE 71 2.009 2.421 5.324 642 HG22 ILE 71 HG22 ILE 71 2.703 0.998 6.109 643 HG23 ILE 71 HG23 ILE 71 2.427 1.001 4.365 644 HD11 ILE 71 HD11 ILE 71 3.399 3.952 2.100 645 HD12 ILE 71 HD12 ILE 71 2.849 4.228 3.754 646 HD13 ILE 71 HD13 ILE 71 2.273 2.824 2.854 647 H GLU 72 H GLU 72 2.301 3.328 7.498 648 HA GLU 72 HA GLU 72 3.735 2.159 9.721 649 HB2 GLU 72 HB2 GLU 72 2.585 4.595 9.685 650 HB3 GLU 72 HB3 GLU 72 1.252 3.662 10.258 651 HG2 GLU 72 HG2 GLU 72 3.703 2.996 11.622 652 HG3 GLU 72 HG3 GLU 72 3.339 4.716 11.747 653 H ASN 73 H ASN 73 1.903 1.459 11.260 654 HA ASN 73 HA ASN 73 0.911 -0.983 10.492 655 HB2 ASN 73 HB2 ASN 73 0.959 0.487 12.770 656 HB3 ASN 73 HB3 ASN 73 -0.718 0.517 12.332 657 HD21 ASN 73 HD21 ASN 73 -1.914 -1.176 13.058 658 HD22 ASN 73 HD22 ASN 73 -1.306 -2.692 13.598 659 H ALA 74 H ALA 74 -0.192 -1.143 8.646 660 HA ALA 74 HA ALA 74 -2.862 0.104 8.592 661 HB1 ALA 74 HB1 ALA 74 -1.589 1.091 6.842 662 HB2 ALA 74 HB2 ALA 74 -2.669 -0.087 6.095 663 HB3 ALA 74 HB3 ALA 74 -0.964 -0.476 6.331 664 H TRP 75 H TRP 75 -1.952 -2.111 6.145 665 HA TRP 75 HA TRP 75 -2.437 -4.595 7.301 666 HB2 TRP 75 HB2 TRP 75 -4.766 -5.002 6.496 667 HB3 TRP 75 HB3 TRP 75 -4.646 -3.902 7.862 668 HD1 TRP 75 HD1 TRP 75 -5.379 -3.830 4.063 669 HE1 TRP 75 HE1 TRP 75 -6.747 -1.734 3.586 670 HE3 TRP 75 HE3 TRP 75 -5.168 -1.610 8.624 671 HZ2 TRP 75 HZ2 TRP 75 -7.587 0.512 4.897 672 HZ3 TRP 75 HZ3 TRP 75 -6.287 0.567 8.931 673 HH2 TRP 75 HH2 TRP 75 -7.500 1.616 7.071 674 H THR 76 H THR 76 -3.281 -6.186 5.668 675 HA THR 76 HA THR 76 -2.474 -5.436 2.958 676 HB THR 76 HB THR 76 -1.431 -7.787 2.823 677 HG1 THR 76 HG1 THR 76 -0.460 -8.250 5.010 678 HG21 THR 76 HG21 THR 76 0.738 -6.904 3.798 679 HG22 THR 76 HG22 THR 76 -0.170 -5.459 4.249 680 HG23 THR 76 HG23 THR 76 -0.030 -5.918 2.550 681 H THR 77 H THR 77 -3.738 -6.212 1.436 682 HA THR 77 HA THR 77 -5.612 -8.377 2.108 683 HB THR 77 HB THR 77 -7.441 -7.257 1.129 684 HG1 THR 77 HG1 THR 77 -5.876 -6.407 -0.623 685 HG21 THR 77 HG21 THR 77 -6.917 -6.258 3.303 686 HG22 THR 77 HG22 THR 77 -7.540 -5.021 2.214 687 HG23 THR 77 HG23 THR 77 -5.810 -5.118 2.539 688 H ALA 78 H ALA 78 -5.660 -9.991 0.595 689 HA ALA 78 HA ALA 78 -3.837 -9.707 -1.651 690 HB1 ALA 78 HB1 ALA 78 -3.671 -11.679 -0.226 691 HB2 ALA 78 HB2 ALA 78 -4.047 -12.117 -1.893 692 HB3 ALA 78 HB3 ALA 78 -5.316 -12.139 -0.669 693 H PHE 79 H PHE 79 -4.693 -8.724 -3.398 694 HA PHE 79 HA PHE 79 -7.340 -9.452 -4.300 695 HB2 PHE 79 HB2 PHE 79 -6.399 -7.021 -4.093 696 HB3 PHE 79 HB3 PHE 79 -5.595 -7.410 -5.629 697 HD1 PHE 79 HD1 PHE 79 -8.868 -7.471 -3.961 698 HD2 PHE 79 HD2 PHE 79 -6.763 -7.220 -7.624 699 HE1 PHE 79 HE1 PHE 79 -10.957 -7.104 -5.128 700 HE2 PHE 79 HE2 PHE 79 -8.854 -6.826 -8.802 701 HZ PHE 79 HZ PHE 79 -10.981 -6.773 -7.564 702 H LYS 80 H LYS 80 -7.623 -10.816 -5.925 703 HA LYS 80 HA LYS 80 -7.268 -12.170 -7.699 704 HB2 LYS 80 HB2 LYS 80 -5.157 -10.141 -8.433 705 HB3 LYS 80 HB3 LYS 80 -5.835 -11.353 -9.515 706 HG2 LYS 80 HG2 LYS 80 -7.422 -9.193 -8.163 707 HG3 LYS 80 HG3 LYS 80 -6.781 -9.077 -9.800 708 HD2 LYS 80 HD2 LYS 80 -8.131 -10.994 -10.468 709 HD3 LYS 80 HD3 LYS 80 -8.733 -11.154 -8.815 710 HE2 LYS 80 HE2 LYS 80 -9.577 -8.784 -9.031 711 HE3 LYS 80 HE3 LYS 80 -9.215 -8.902 -10.751 712 HZ1 LYS 80 HZ1 LYS 80 -11.508 -9.418 -10.395 713 HZ2 LYS 80 HZ2 LYS 80 -11.129 -10.582 -9.229 714 HZ3 LYS 80 HZ3 LYS 80 -10.712 -10.841 -10.847 715 H GLY 81 H GLY 81 -5.418 -12.276 -5.177 716 HA2 GLY 81 HA2 GLY 81 -4.215 -14.276 -4.643 717 HA3 GLY 81 HA3 GLY 81 -3.702 -14.378 -6.319 718 H GLN 82 H GLN 82 -3.283 -11.256 -5.835 719 HA GLN 82 HA GLN 82 -0.521 -11.603 -4.887 720 HB2 GLN 82 HB2 GLN 82 -0.900 -8.966 -5.838 721 HB3 GLN 82 HB3 GLN 82 0.074 -10.239 -6.557 722 HG2 GLN 82 HG2 GLN 82 -1.324 -10.444 -8.267 723 HG3 GLN 82 HG3 GLN 82 -2.726 -10.551 -7.204 724 HE21 GLN 82 HE21 GLN 82 -2.352 -8.004 -5.953 725 HE22 GLN 82 HE22 GLN 82 -2.753 -6.796 -7.119 726 H VAL 83 H VAL 83 0.255 -10.416 -3.151 727 HA VAL 83 HA VAL 83 -1.716 -9.481 -1.315 728 HB VAL 83 HB VAL 83 1.241 -8.940 -1.052 729 HG11 VAL 83 HG11 VAL 83 0.404 -9.555 1.406 730 HG12 VAL 83 HG12 VAL 83 -1.096 -8.910 0.738 731 HG13 VAL 83 HG13 VAL 83 0.363 -7.921 0.748 732 HG21 VAL 83 HG21 VAL 83 0.995 -11.296 -1.629 733 HG22 VAL 83 HG22 VAL 83 -0.193 -11.493 -0.341 734 HG23 VAL 83 HG23 VAL 83 1.482 -11.105 0.055 735 H GLN 84 H GLN 84 -1.877 -7.322 -0.433 736 HA GLN 84 HA GLN 84 -0.753 -5.180 -2.070 737 HB2 GLN 84 HB2 GLN 84 -3.157 -6.013 -2.810 738 HB3 GLN 84 HB3 GLN 84 -3.674 -5.025 -1.454 739 HG2 GLN 84 HG2 GLN 84 -2.654 -3.071 -2.441 740 HG3 GLN 84 HG3 GLN 84 -2.015 -4.047 -3.764 741 HE21 GLN 84 HE21 GLN 84 -4.866 -2.658 -2.334 742 HE22 GLN 84 HE22 GLN 84 -5.904 -2.857 -3.730 743 H LEU 85 H LEU 85 -1.013 -3.062 -1.060 744 HA LEU 85 HA LEU 85 -1.358 -3.264 1.861 745 HB2 LEU 85 HB2 LEU 85 0.985 -2.861 0.545 746 HB3 LEU 85 HB3 LEU 85 0.481 -1.213 0.850 747 HG LEU 85 HG LEU 85 0.173 -2.695 3.266 748 HD11 LEU 85 HD11 LEU 85 2.498 -3.351 3.658 749 HD12 LEU 85 HD12 LEU 85 2.889 -2.963 1.983 750 HD13 LEU 85 HD13 LEU 85 1.776 -4.282 2.346 751 HD21 LEU 85 HD21 LEU 85 1.862 -1.049 4.045 752 HD22 LEU 85 HD22 LEU 85 0.504 -0.323 3.183 753 HD23 LEU 85 HD23 LEU 85 2.059 -0.522 2.372 754 H ASN 86 H ASN 86 -2.167 -1.410 2.928 755 HA ASN 86 HA ASN 86 -3.262 0.735 1.200 756 HB2 ASN 86 HB2 ASN 86 -4.782 -0.642 3.416 757 HB3 ASN 86 HB3 ASN 86 -5.382 0.620 2.377 758 HD21 ASN 86 HD21 ASN 86 -4.198 -2.621 2.451 759 HD22 ASN 86 HD22 ASN 86 -5.021 -3.166 1.039 760 H ALA 87 H ALA 87 -4.109 2.573 2.567 761 HA ALA 87 HA ALA 87 -2.890 2.579 5.220 762 HB1 ALA 87 HB1 ALA 87 -2.526 4.874 3.298 763 HB2 ALA 87 HB2 ALA 87 -1.297 3.658 3.645 764 HB3 ALA 87 HB3 ALA 87 -1.861 4.733 4.926 765 H GLY 88 H GLY 88 -4.438 2.965 6.591 766 HA2 GLY 88 HA2 GLY 88 -6.565 4.851 5.870 767 HA3 GLY 88 HA3 GLY 88 -6.776 3.499 6.888 768 H SER 89 H SER 89 -7.178 4.057 8.890 769 HA SER 89 HA SER 89 -6.343 6.612 9.860 770 HB2 SER 89 HB2 SER 89 -7.940 4.392 11.145 771 HB3 SER 89 HB3 SER 89 -7.603 5.931 11.937 772 HG SER 89 HG SER 89 -9.562 5.399 10.293 773 H LYS 90 H LYS 90 -5.743 3.260 11.202 774 HA LYS 90 HA LYS 90 -3.930 4.290 13.155 775 HB2 LYS 90 HB2 LYS 90 -3.357 2.055 13.765 776 HB3 LYS 90 HB3 LYS 90 -5.071 2.066 13.464 777 HG2 LYS 90 HG2 LYS 90 -3.515 1.319 11.128 778 HG3 LYS 90 HG3 LYS 90 -3.275 0.263 12.509 779 HD2 LYS 90 HD2 LYS 90 -6.012 0.663 12.462 780 HD3 LYS 90 HD3 LYS 90 -5.571 0.519 10.760 781 HE2 LYS 90 HE2 LYS 90 -5.032 -1.649 10.950 782 HE3 LYS 90 HE3 LYS 90 -4.273 -1.426 12.525 783 HZ1 LYS 90 HZ1 LYS 90 -6.509 -1.334 13.510 784 HZ2 LYS 90 HZ2 LYS 90 -6.201 -2.814 12.749 785 HZ3 LYS 90 HZ3 LYS 90 -7.184 -1.664 11.991 786 H THR 91 H THR 91 -3.610 4.277 9.992 787 HA THR 91 HA THR 91 -0.746 3.635 9.931 788 HB THR 91 HB THR 91 -2.381 4.501 7.550 789 HG1 THR 91 HG1 THR 91 -2.404 1.939 8.786 790 HG21 THR 91 HG21 THR 91 -0.082 2.572 7.894 791 HG22 THR 91 HG22 THR 91 0.016 4.212 7.250 792 HG23 THR 91 HG23 THR 91 -0.865 2.968 6.365 793 H LYS 92 H LYS 92 0.625 5.352 10.134 794 HA LYS 92 HA LYS 92 -0.350 8.022 9.347 795 HB2 LYS 92 HB2 LYS 92 1.075 7.086 11.724 796 HB3 LYS 92 HB3 LYS 92 1.881 8.441 10.945 797 HG2 LYS 92 HG2 LYS 92 0.438 9.361 12.568 798 HG3 LYS 92 HG3 LYS 92 -0.327 9.648 11.005 799 HD2 LYS 92 HD2 LYS 92 -1.773 7.694 11.367 800 HD3 LYS 92 HD3 LYS 92 -1.020 7.437 12.942 801 HE2 LYS 92 HE2 LYS 92 -1.791 9.684 13.632 802 HE3 LYS 92 HE3 LYS 92 -2.613 9.851 12.082 803 HZ1 LYS 92 HZ1 LYS 92 -4.141 9.137 13.800 804 HZ2 LYS 92 HZ2 LYS 92 -3.186 7.782 14.135 805 HZ3 LYS 92 HZ3 LYS 92 -3.964 7.918 12.639 806 H ILE 93 H ILE 93 0.482 8.544 7.384 807 HA ILE 93 HA ILE 93 3.105 7.454 6.674 808 HB ILE 93 HB ILE 93 1.428 9.129 4.832 809 HG12 ILE 93 HG12 ILE 93 1.120 6.144 5.254 810 HG13 ILE 93 HG13 ILE 93 -0.032 7.357 5.790 811 HG21 ILE 93 HG21 ILE 93 3.713 8.589 4.167 812 HG22 ILE 93 HG22 ILE 93 2.537 7.793 3.115 813 HG23 ILE 93 HG23 ILE 93 3.368 6.867 4.365 814 HD11 ILE 93 HD11 ILE 93 0.684 6.634 2.966 815 HD12 ILE 93 HD12 ILE 93 -0.273 8.051 3.402 816 HD13 ILE 93 HD13 ILE 93 -0.864 6.434 3.788 817 H ALA 94 H ALA 94 4.881 8.671 6.212 818 HA ALA 94 HA ALA 94 4.845 11.567 5.974 819 HB1 ALA 94 HB1 ALA 94 6.160 12.016 7.927 820 HB2 ALA 94 HB2 ALA 94 5.903 10.356 8.540 821 HB3 ALA 94 HB3 ALA 94 4.532 11.471 8.396 822 H GLU 95 H GLU 95 6.796 12.486 5.351 823 HA GLU 95 HA GLU 95 8.548 10.821 3.914 824 HB2 GLU 95 HB2 GLU 95 9.265 13.635 4.726 825 HB3 GLU 95 HB3 GLU 95 9.518 12.681 3.435 826 HG2 GLU 95 HG2 GLU 95 8.094 13.761 2.391 827 HG3 GLU 95 HG3 GLU 95 6.970 12.729 3.096 828 H ALA 96 H ALA 96 10.414 9.984 4.365 829 HA ALA 96 HA ALA 96 11.569 10.425 7.057 830 HB1 ALA 96 HB1 ALA 96 11.990 8.138 7.393 831 HB2 ALA 96 HB2 ALA 96 11.684 7.755 5.692 832 HB3 ALA 96 HB3 ALA 96 10.341 8.199 6.759 833 H SER 97 H SER 97 13.749 10.678 7.161 834 HA SER 97 HA SER 97 15.202 10.581 4.602 835 HB2 SER 97 HB2 SER 97 16.790 12.178 5.759 836 HB3 SER 97 HB3 SER 97 15.213 12.796 5.383 837 HG SER 97 HG SER 97 15.400 11.598 7.853 838 H GLU 98 H GLU 98 16.767 9.125 4.383 839 HA GLU 98 HA GLU 98 18.056 8.062 6.804 840 HB2 GLU 98 HB2 GLU 98 17.096 6.490 4.405 841 HB3 GLU 98 HB3 GLU 98 18.091 5.817 5.664 842 HG2 GLU 98 HG2 GLU 98 15.672 7.091 6.620 843 HG3 GLU 98 HG3 GLU 98 15.459 5.632 5.653 844 H ASP 99 H ASP 99 19.774 6.274 5.263 845 HA ASP 99 HA ASP 99 21.759 8.121 4.486 846 HB2 ASP 99 HB2 ASP 99 21.603 5.131 4.713 847 HB3 ASP 99 HB3 ASP 99 22.977 5.891 3.916 848 H GLY 100 H GLY 100 19.186 7.729 2.859 849 HA2 GLY 100 HA2 GLY 100 19.030 8.273 0.554 850 HA3 GLY 100 HA3 GLY 100 20.587 7.515 0.263 851 H PHE 101 H PHE 101 17.172 6.908 0.853 852 HA PHE 101 HA PHE 101 17.201 4.116 0.592 853 HB2 PHE 101 HB2 PHE 101 15.268 6.094 0.985 854 HB3 PHE 101 HB3 PHE 101 14.802 5.316 -0.524 855 HD1 PHE 101 HD2 PHE 101 15.883 4.430 2.940 856 HD2 PHE 101 HD1 PHE 101 13.460 3.457 -0.420 857 HE1 PHE 101 HE2 PHE 101 14.894 2.572 4.199 858 HE2 PHE 101 HE1 PHE 101 12.444 1.632 0.799 859 HZ PHE 101 HZ PHE 101 13.173 1.156 3.155 860 HA PRO 102 HA PRO 102 18.121 3.221 -3.636 861 HB2 PRO 102 HB2 PRO 102 15.708 1.468 -3.537 862 HB3 PRO 102 HB3 PRO 102 17.358 1.085 -4.050 863 HG2 PRO 102 HG2 PRO 102 16.480 0.254 -1.695 864 HG3 PRO 102 HG3 PRO 102 18.141 0.854 -1.884 865 HD2 PRO 102 HD2 PRO 102 15.777 2.188 -0.651 866 HD3 PRO 102 HD3 PRO 102 17.499 2.269 -0.195 867 H GLU 103 H GLU 103 17.536 3.926 -5.639 868 HA GLU 103 HA GLU 103 15.337 5.744 -5.826 869 HB2 GLU 103 HB2 GLU 103 17.690 5.691 -7.053 870 HB3 GLU 103 HB3 GLU 103 16.778 4.793 -8.258 871 HG2 GLU 103 HG2 GLU 103 15.311 6.610 -8.636 872 HG3 GLU 103 HG3 GLU 103 15.909 7.475 -7.221 873 H SER 104 H SER 104 13.699 5.649 -7.539 874 HA SER 104 HA SER 104 12.225 3.248 -7.432 875 HB2 SER 104 HB2 SER 104 11.794 5.390 -9.507 876 HB3 SER 104 HB3 SER 104 10.594 4.353 -8.735 877 HG SER 104 HG SER 104 12.090 6.419 -7.486 878 H SER 105 H SER 105 14.599 4.446 -9.662 879 HA SER 105 HA SER 105 13.924 2.572 -11.752 880 HB2 SER 105 HB2 SER 105 15.490 4.936 -11.550 881 HB3 SER 105 HB3 SER 105 16.554 3.640 -12.093 882 HG SER 105 HG SER 105 15.445 3.461 -13.909 883 H GLN 106 H GLN 106 15.432 2.285 -8.826 884 HA GLN 106 HA GLN 106 17.005 -0.028 -9.754 885 HB2 GLN 106 HB2 GLN 106 17.665 1.682 -7.363 886 HB3 GLN 106 HB3 GLN 106 18.631 0.407 -8.028 887 HG2 GLN 106 HG2 GLN 106 18.693 1.873 -10.160 888 HG3 GLN 106 HG3 GLN 106 18.113 3.151 -9.094 889 HE21 GLN 106 HE21 GLN 106 20.471 0.542 -8.645 890 HE22 GLN 106 HE22 GLN 106 21.786 1.572 -8.201 891 H ILE 107 H ILE 107 14.234 0.645 -8.422 892 HA ILE 107 HA ILE 107 14.418 -1.108 -6.094 893 HB ILE 107 HB ILE 107 12.396 0.853 -7.080 894 HG12 ILE 107 HG12 ILE 107 13.195 0.271 -4.241 895 HG13 ILE 107 HG13 ILE 107 14.248 1.204 -5.300 896 HG21 ILE 107 HG21 ILE 107 10.681 0.003 -5.584 897 HG22 ILE 107 HG22 ILE 107 11.717 -1.362 -5.133 898 HG23 ILE 107 HG23 ILE 107 11.102 -1.216 -6.787 899 HD11 ILE 107 HD11 ILE 107 11.489 2.117 -5.273 900 HD12 ILE 107 HD12 ILE 107 13.006 3.014 -5.147 901 HD13 ILE 107 HD13 ILE 107 12.315 2.222 -3.712 902 HA PRO 108 HA PRO 108 13.272 -4.661 -8.588 903 HB2 PRO 108 HB2 PRO 108 12.401 -5.640 -5.912 904 HB3 PRO 108 HB3 PRO 108 13.430 -6.427 -7.116 905 HG2 PRO 108 HG2 PRO 108 14.510 -5.374 -4.943 906 HG3 PRO 108 HG3 PRO 108 15.310 -5.215 -6.520 907 HD2 PRO 108 HD2 PRO 108 13.760 -3.185 -4.980 908 HD3 PRO 108 HD3 PRO 108 15.209 -2.979 -5.986 909 H GLU 109 H GLU 109 11.325 -5.946 -8.967 910 HA GLU 109 HA GLU 109 8.868 -4.488 -8.231 911 HB2 GLU 109 HB2 GLU 109 7.980 -5.326 -10.466 912 HB3 GLU 109 HB3 GLU 109 9.189 -4.051 -10.533 913 HG2 GLU 109 HG2 GLU 109 10.885 -5.576 -11.182 914 HG3 GLU 109 HG3 GLU 109 9.853 -6.965 -10.845 915 H ASN 110 H ASN 110 10.418 -7.094 -7.395 916 HA ASN 110 HA ASN 110 8.857 -9.325 -7.920 917 HB2 ASN 110 HB2 ASN 110 11.105 -8.946 -6.519 918 HB3 ASN 110 HB3 ASN 110 9.972 -9.047 -5.175 919 HD21 ASN 110 HD21 ASN 110 11.865 -10.772 -7.323 920 HD22 ASN 110 HD22 ASN 110 11.213 -12.347 -7.039 921 H THR 111 H THR 111 6.836 -9.840 -7.445 922 HA THR 111 HA THR 111 5.332 -8.211 -5.572 923 HB THR 111 HB THR 111 3.708 -10.301 -6.604 924 HG1 THR 111 HG1 THR 111 5.494 -9.155 -8.495 925 HG21 THR 111 HG21 THR 111 3.043 -7.964 -6.067 926 HG22 THR 111 HG22 THR 111 2.511 -8.487 -7.665 927 HG23 THR 111 HG23 THR 111 3.908 -7.424 -7.505 928 HA PRO 112 HA PRO 112 6.171 -11.229 -2.328 929 HB2 PRO 112 HB2 PRO 112 4.062 -9.635 -0.973 930 HB3 PRO 112 HB3 PRO 112 5.678 -10.085 -0.406 931 HG2 PRO 112 HG2 PRO 112 5.202 -7.602 -1.191 932 HG3 PRO 112 HG3 PRO 112 6.730 -8.407 -1.605 933 HD2 PRO 112 HD2 PRO 112 4.340 -7.914 -3.326 934 HD3 PRO 112 HD3 PRO 112 6.066 -7.798 -3.727 935 H THR 113 H THR 113 5.189 -13.125 -1.813 936 HA THR 113 HA THR 113 2.301 -13.392 -1.907 937 HB THR 113 HB THR 113 3.491 -15.569 -3.430 938 HG1 THR 113 HG1 THR 113 3.675 -14.135 -5.353 939 HG21 THR 113 HG21 THR 113 1.083 -15.151 -3.247 940 HG22 THR 113 HG22 THR 113 1.615 -15.093 -4.927 941 HG23 THR 113 HG23 THR 113 1.290 -13.596 -4.052 942 H ALA 114 H ALA 114 1.689 -14.644 -0.271 943 HA ALA 114 HA ALA 114 3.536 -15.956 1.413 944 HB1 ALA 114 HB1 ALA 114 1.579 -16.771 2.621 945 HB2 ALA 114 HB2 ALA 114 0.538 -16.273 1.288 946 HB3 ALA 114 HB3 ALA 114 1.410 -15.061 2.225 947 H ARG 115 H ARG 115 3.384 -18.282 2.029 948 HA ARG 115 HA ARG 115 3.542 -19.908 -0.368 949 HB2 ARG 115 HB2 ARG 115 4.369 -21.665 1.237 950 HB3 ARG 115 HB3 ARG 115 5.345 -20.205 1.160 951 HG2 ARG 115 HG2 ARG 115 4.176 -19.399 3.208 952 HG3 ARG 115 HG3 ARG 115 3.386 -20.973 3.311 953 HD2 ARG 115 HD2 ARG 115 5.393 -20.788 4.748 954 HD3 ARG 115 HD3 ARG 115 5.506 -22.079 3.552 955 HE ARG 115 HE ARG 115 6.778 -19.459 3.116 956 HH11 ARG 115 HH11 ARG 115 6.935 -22.938 3.284 957 HH12 ARG 115 HH12 ARG 115 8.553 -23.023 2.675 958 HH21 ARG 115 HH21 ARG 115 8.908 -19.563 2.309 959 HH22 ARG 115 HH22 ARG 115 9.676 -21.104 2.121 960 H ARG 116 H ARG 116 2.247 -21.617 -0.875 961 HA ARG 116 HA ARG 116 -0.160 -21.964 0.789 962 HB2 ARG 116 HB2 ARG 116 0.250 -22.109 -2.189 963 HB3 ARG 116 HB3 ARG 116 -1.147 -22.850 -1.418 964 HG2 ARG 116 HG2 ARG 116 -1.728 -20.635 -0.464 965 HG3 ARG 116 HG3 ARG 116 -0.399 -19.935 -1.390 966 HD2 ARG 116 HD2 ARG 116 -2.142 -21.584 -3.026 967 HD3 ARG 116 HD3 ARG 116 -3.010 -20.264 -2.245 968 HE ARG 116 HE ARG 116 -1.118 -20.057 -4.375 969 HH11 ARG 116 HH11 ARG 116 -2.450 -18.393 -1.618 970 HH12 ARG 116 HH12 ARG 116 -2.092 -16.815 -2.233 971 HH21 ARG 116 HH21 ARG 116 -0.642 -17.983 -5.195 972 HH22 ARG 116 HH22 ARG 116 -1.065 -16.582 -4.268 973 H ARG 117 H ARG 117 -0.991 -24.058 1.094 974 HA ARG 117 HA ARG 117 1.028 -26.106 1.202 975 HB2 ARG 117 HB2 ARG 117 -1.900 -26.443 1.837 976 HB3 ARG 117 HB3 ARG 117 -0.545 -27.381 2.450 977 HG2 ARG 117 HG2 ARG 117 0.236 -25.462 3.718 978 HG3 ARG 117 HG3 ARG 117 -1.084 -24.484 3.071 979 HD2 ARG 117 HD2 ARG 117 -1.771 -27.035 4.429 980 HD3 ARG 117 HD3 ARG 117 -1.243 -25.685 5.431 981 HE ARG 117 HE ARG 117 -3.187 -24.728 3.683 982 HH11 ARG 117 HH11 ARG 117 -2.932 -26.977 6.333 983 HH12 ARG 117 HH12 ARG 117 -4.572 -26.757 6.847 984 HH21 ARG 117 HH21 ARG 117 -5.346 -24.432 4.352 985 HH22 ARG 117 HH22 ARG 117 -5.944 -25.310 5.720 Start of MODEL 7 1 H5' DT 1 H5' DT 1 -14.406 -7.738 7.209 2 H5'' DT 1 H5'' DT 1 -14.508 -6.062 6.635 3 H4' DT 1 H4' DT 1 -14.107 -6.362 9.091 4 H3' DT 1 H3' DT 1 -12.354 -4.635 7.384 5 H2' DT 1 H2' DT 1 -10.902 -4.209 9.236 6 H2'' DT 1 H2'' DT 1 -12.101 -4.719 10.416 7 H1' DT 1 H1' DT 1 -11.006 -6.774 10.374 8 H3 DT 1 H3 DT 1 -7.190 -8.243 8.526 9 H71 DT 1 H71 DT 1 -7.999 -3.903 5.979 10 H72 DT 1 H72 DT 1 -7.468 -5.308 5.024 11 H73 DT 1 H73 DT 1 -9.179 -4.819 5.011 12 H6 DT 1 H6 DT 1 -10.417 -4.976 7.241 13 HO5' DT 1 HO5' DT 1 -12.544 -6.228 5.727 14 H5' DT 2 H5' DT 2 -14.038 -0.393 6.426 15 H5'' DT 2 H5'' DT 2 -14.157 -1.646 5.174 16 H4' DT 2 H4' DT 2 -12.485 -0.246 4.408 17 H3' DT 2 H3' DT 2 -11.064 -2.506 5.814 18 H2' DT 2 H2' DT 2 -9.048 -1.518 4.934 19 H2'' DT 2 H2'' DT 2 -9.939 -0.476 3.834 20 H1' DT 2 H1' DT 2 -9.823 1.075 5.644 21 H3 DT 2 H3 DT 2 -8.788 0.781 10.126 22 H71 DT 2 H71 DT 2 -8.285 -3.937 9.063 23 H72 DT 2 H72 DT 2 -6.645 -3.248 9.020 24 H73 DT 2 H73 DT 2 -7.447 -3.733 7.507 25 H6 DT 2 H6 DT 2 -8.755 -2.137 6.365 26 H5' DT 3 H5' DT 3 -15.644 -3.531 2.523 27 H5'' DT 3 H5'' DT 3 -14.266 -4.508 1.974 28 H4' DT 3 H4' DT 3 -15.046 -2.481 0.582 29 H3' DT 3 H3' DT 3 -12.525 -3.710 0.747 30 H2' DT 3 H2' DT 3 -11.465 -1.871 1.862 31 H2'' DT 3 H2'' DT 3 -11.302 -1.346 0.193 32 H1' DT 3 H1' DT 3 -13.484 -0.165 0.302 33 H3 DT 3 H3 DT 3 -13.774 3.440 3.103 34 H71 DT 3 H71 DT 3 -8.894 2.356 3.255 35 H72 DT 3 H72 DT 3 -9.242 0.869 4.165 36 H73 DT 3 H73 DT 3 -9.667 2.454 4.853 37 H6 DT 3 H6 DT 3 -10.628 -0.060 2.364 38 H5' DT 4 H5' DT 4 -14.943 -1.446 -2.410 39 H5'' DT 4 H5'' DT 4 -15.391 -1.859 -4.079 40 H4' DT 4 H4' DT 4 -13.812 -0.110 -4.208 41 H3' DT 4 H3' DT 4 -12.763 -2.783 -5.000 42 H2' DT 4 H2' DT 4 -10.537 -2.095 -4.933 43 H2'' DT 4 H2'' DT 4 -10.935 -0.487 -5.522 44 H1' DT 4 H1' DT 4 -11.045 0.402 -3.429 45 H3 DT 4 H3 DT 4 -7.146 -0.681 -1.513 46 H71 DT 4 H71 DT 4 -9.025 -4.352 0.545 47 H72 DT 4 H72 DT 4 -10.721 -4.343 0.003 48 H73 DT 4 H73 DT 4 -9.471 -5.119 -0.998 49 H6 DT 4 H6 DT 4 -11.330 -2.930 -1.944 50 H5' DT 5 H5' DT 5 -12.057 -0.244 -9.924 51 H5'' DT 5 H5'' DT 5 -12.732 -1.660 -9.093 52 H4' DT 5 H4' DT 5 -10.273 -1.359 -10.585 53 H3' DT 5 H3' DT 5 -12.229 -3.289 -10.428 54 H2' DT 5 H2' DT 5 -11.493 -4.352 -8.427 55 H2'' DT 5 H2'' DT 5 -10.489 -5.208 -9.590 56 H1' DT 5 H1' DT 5 -8.612 -3.733 -9.247 57 H3 DT 5 H3 DT 5 -6.620 -4.492 -5.340 58 H71 DT 5 H71 DT 5 -11.312 -3.341 -3.682 59 H72 DT 5 H72 DT 5 -10.573 -4.835 -3.058 60 H73 DT 5 H73 DT 5 -11.796 -4.920 -4.347 61 H6 DT 5 H6 DT 5 -11.172 -3.829 -6.574 62 H5' DT 6 H5' DT 6 -9.356 -5.657 -14.138 63 H5'' DT 6 H5'' DT 6 -9.336 -7.264 -13.381 64 H4' DT 6 H4' DT 6 -8.326 -4.778 -12.014 65 H3' DT 6 H3' DT 6 -6.878 -6.468 -13.996 66 HO3' DT 6 HO3' DT 6 -7.379 -3.945 -13.531 67 H2' DT 6 H2' DT 6 -4.950 -6.640 -12.574 68 H2'' DT 6 H2'' DT 6 -5.490 -5.333 -11.529 69 H1' DT 6 H1' DT 6 -6.286 -7.153 -10.232 70 H3 DT 6 H3 DT 6 -4.569 -11.105 -11.908 71 H71 DT 6 H71 DT 6 -9.654 -10.279 -13.539 72 H72 DT 6 H72 DT 6 -9.203 -11.866 -12.869 73 H73 DT 6 H73 DT 6 -8.593 -11.367 -14.467 74 H6 DT 6 H6 DT 6 -8.548 -8.541 -12.490 75 H1 MET 1 H MET 1 10.847 -1.996 15.430 76 H1 MET 1 HT1 MET 1 10.523 -0.965 14.128 77 H2 MET 1 H2 MET 1 11.027 -2.555 13.844 78 HA MET 1 HA MET 1 9.015 -3.427 14.781 79 HB2 MET 1 HB2 MET 1 8.368 -0.507 15.210 80 HB3 MET 1 HB3 MET 1 7.175 -1.795 15.320 81 HG2 MET 1 HG2 MET 1 9.232 -2.641 16.963 82 HG3 MET 1 HG3 MET 1 9.129 -0.906 17.254 83 HE1 MET 1 HE1 MET 1 8.685 -2.508 19.712 84 HE2 MET 1 HE2 MET 1 8.232 -3.968 18.832 85 HE3 MET 1 HE3 MET 1 7.112 -3.257 19.995 86 H GLU 2 H GLU 2 10.263 -2.167 12.257 87 HA GLU 2 HA GLU 2 7.779 -2.118 10.675 88 HB2 GLU 2 HB2 GLU 2 9.310 -0.852 8.988 89 HB3 GLU 2 HB3 GLU 2 8.617 0.018 10.350 90 HG2 GLU 2 HG2 GLU 2 11.147 -1.126 11.083 91 HG3 GLU 2 HG3 GLU 2 11.307 -0.152 9.622 92 H GLU 3 H GLU 3 7.547 -3.632 9.161 93 HA GLU 3 HA GLU 3 9.788 -5.445 8.681 94 HB2 GLU 3 HB2 GLU 3 8.219 -7.065 8.018 95 HB3 GLU 3 HB3 GLU 3 7.470 -6.246 9.381 96 HG2 GLU 3 HG2 GLU 3 6.400 -4.770 7.489 97 HG3 GLU 3 HG3 GLU 3 6.747 -6.187 6.498 98 H LYS 4 H LYS 4 9.795 -6.451 6.396 99 HA LYS 4 HA LYS 4 9.972 -4.174 4.486 100 HB2 LYS 4 HB2 LYS 4 11.206 -6.008 3.134 101 HB3 LYS 4 HB3 LYS 4 12.016 -5.236 4.489 102 HG2 LYS 4 HG2 LYS 4 10.499 -7.712 5.051 103 HG3 LYS 4 HG3 LYS 4 12.000 -7.865 4.137 104 HD2 LYS 4 HD2 LYS 4 12.122 -6.142 6.527 105 HD3 LYS 4 HD3 LYS 4 11.867 -7.860 6.835 106 HE2 LYS 4 HE2 LYS 4 13.841 -7.980 4.996 107 HE3 LYS 4 HE3 LYS 4 14.230 -6.450 5.781 108 HZ1 LYS 4 HZ1 LYS 4 13.871 -9.057 7.158 109 HZ2 LYS 4 HZ2 LYS 4 14.245 -7.590 7.911 110 HZ3 LYS 4 HZ3 LYS 4 15.352 -8.300 6.848 111 H VAL 5 H VAL 5 9.592 -4.902 2.140 112 HA VAL 5 HA VAL 5 6.845 -5.655 1.922 113 HB VAL 5 HB VAL 5 8.908 -5.255 -0.254 114 HG11 VAL 5 HG11 VAL 5 7.079 -6.512 -1.139 115 HG12 VAL 5 HG12 VAL 5 6.905 -4.840 -1.681 116 HG13 VAL 5 HG13 VAL 5 5.905 -5.448 -0.362 117 HG21 VAL 5 HG21 VAL 5 6.864 -3.343 0.871 118 HG22 VAL 5 HG22 VAL 5 7.942 -3.023 -0.487 119 HG23 VAL 5 HG23 VAL 5 8.607 -3.264 1.129 120 H GLY 6 H GLY 6 9.926 -7.250 1.300 121 HA2 GLY 6 HA2 GLY 6 8.739 -9.547 0.047 122 HA3 GLY 6 HA3 GLY 6 10.412 -9.384 0.558 123 H ASN 7 H ASN 7 8.495 -8.568 3.136 124 HA ASN 7 HA ASN 7 8.399 -11.335 4.131 125 HB2 ASN 7 HB2 ASN 7 10.283 -9.720 4.989 126 HB3 ASN 7 HB3 ASN 7 8.989 -9.069 5.988 127 HD21 ASN 7 HD21 ASN 7 9.417 -9.784 7.950 128 HD22 ASN 7 HD22 ASN 7 9.700 -11.400 8.382 129 H LEU 8 H LEU 8 6.589 -8.739 3.319 130 HA LEU 8 HA LEU 8 4.821 -8.620 5.590 131 HB2 LEU 8 HB2 LEU 8 3.801 -6.893 4.526 132 HB3 LEU 8 HB3 LEU 8 5.322 -6.866 3.657 133 HG LEU 8 HG LEU 8 3.892 -8.575 2.103 134 HD11 LEU 8 HD11 LEU 8 1.737 -8.531 2.700 135 HD12 LEU 8 HD12 LEU 8 1.724 -6.877 1.987 136 HD13 LEU 8 HD13 LEU 8 1.990 -7.099 3.736 137 HD21 LEU 8 HD21 LEU 8 5.143 -6.774 1.200 138 HD22 LEU 8 HD22 LEU 8 4.104 -5.580 1.979 139 HD23 LEU 8 HD23 LEU 8 3.475 -6.570 0.663 140 H LYS 9 H LYS 9 2.608 -9.350 5.607 141 HA LYS 9 HA LYS 9 1.838 -11.286 3.634 142 HB2 LYS 9 HB2 LYS 9 1.212 -12.762 5.209 143 HB3 LYS 9 HB3 LYS 9 2.797 -12.310 5.601 144 HG2 LYS 9 HG2 LYS 9 2.126 -11.719 7.669 145 HG3 LYS 9 HG3 LYS 9 0.906 -10.686 6.960 146 HD2 LYS 9 HD2 LYS 9 -0.509 -12.106 8.035 147 HD3 LYS 9 HD3 LYS 9 -0.266 -13.070 6.577 148 HE2 LYS 9 HE2 LYS 9 0.438 -14.707 7.911 149 HE3 LYS 9 HE3 LYS 9 1.881 -13.736 8.197 150 HZ1 LYS 9 HZ1 LYS 9 0.777 -12.730 10.100 151 HZ2 LYS 9 HZ2 LYS 9 0.854 -14.411 10.270 152 HZ3 LYS 9 HZ3 LYS 9 -0.602 -13.673 9.826 153 HA PRO 10 HA PRO 10 -2.012 -9.127 3.786 154 HB2 PRO 10 HB2 PRO 10 -3.726 -10.972 2.846 155 HB3 PRO 10 HB3 PRO 10 -2.509 -10.215 1.846 156 HG2 PRO 10 HG2 PRO 10 -2.486 -12.905 3.134 157 HG3 PRO 10 HG3 PRO 10 -1.927 -12.454 1.511 158 HD2 PRO 10 HD2 PRO 10 -0.180 -12.751 3.640 159 HD3 PRO 10 HD3 PRO 10 0.097 -11.741 2.255 160 H ASN 11 H ASN 11 -4.196 -9.183 4.665 161 HA ASN 11 HA ASN 11 -5.776 -9.559 6.289 162 HB2 ASN 11 HB2 ASN 11 -4.462 -12.179 6.069 163 HB3 ASN 11 HB3 ASN 11 -5.237 -11.887 7.623 164 HD21 ASN 11 HD21 ASN 11 -5.743 -11.998 4.151 165 HD22 ASN 11 HD22 ASN 11 -7.465 -12.303 4.227 166 H MET 12 H MET 12 -3.119 -8.256 6.864 167 HA MET 12 HA MET 12 -3.020 -8.669 9.728 168 HB2 MET 12 HB2 MET 12 -1.086 -7.364 7.812 169 HB3 MET 12 HB3 MET 12 -0.911 -7.406 9.513 170 HG2 MET 12 HG2 MET 12 -1.266 -10.032 8.997 171 HG3 MET 12 HG3 MET 12 -0.441 -9.452 7.559 172 HE1 MET 12 HE1 MET 12 2.028 -8.751 7.414 173 HE2 MET 12 HE2 MET 12 2.991 -8.274 8.831 174 HE3 MET 12 HE3 MET 12 1.577 -7.330 8.366 175 H GLU 13 H GLU 13 -3.873 -7.197 11.040 176 HA GLU 13 HA GLU 13 -4.968 -4.763 9.928 177 HB2 GLU 13 HB2 GLU 13 -5.036 -5.213 12.857 178 HB3 GLU 13 HB3 GLU 13 -6.307 -4.670 11.772 179 HG2 GLU 13 HG2 GLU 13 -6.126 -7.172 10.915 180 HG3 GLU 13 HG3 GLU 13 -5.518 -7.416 12.552 181 H SER 14 H SER 14 -1.975 -5.361 10.452 182 HA SER 14 HA SER 14 -1.315 -2.661 11.205 183 HB2 SER 14 HB2 SER 14 0.361 -3.606 12.972 184 HB3 SER 14 HB3 SER 14 -1.323 -3.369 13.430 185 HG SER 14 HG SER 14 -0.126 -5.808 12.616 186 H VAL 15 H VAL 15 0.126 -2.113 9.711 187 HA VAL 15 HA VAL 15 2.335 -3.947 9.133 188 HB VAL 15 HB VAL 15 1.302 -2.519 6.765 189 HG11 VAL 15 HG11 VAL 15 1.949 -4.612 5.664 190 HG12 VAL 15 HG12 VAL 15 2.310 -5.322 7.236 191 HG13 VAL 15 HG13 VAL 15 3.257 -3.955 6.648 192 HG21 VAL 15 HG21 VAL 15 -0.620 -3.670 6.405 193 HG22 VAL 15 HG22 VAL 15 -0.660 -3.672 8.168 194 HG23 VAL 15 HG23 VAL 15 -0.069 -5.087 7.298 195 H ASN 16 H ASN 16 4.070 -2.839 9.686 196 HA ASN 16 HA ASN 16 4.253 0.025 9.050 197 HB2 ASN 16 HB2 ASN 16 4.828 -1.392 11.380 198 HB3 ASN 16 HB3 ASN 16 6.356 -0.879 10.696 199 HD21 ASN 16 HD21 ASN 16 6.057 1.480 9.734 200 HD22 ASN 16 HD22 ASN 16 5.438 2.600 10.917 201 H VAL 17 H VAL 17 5.642 0.670 7.483 202 HA VAL 17 HA VAL 17 8.017 -0.867 6.909 203 HB VAL 17 HB VAL 17 6.615 -2.260 5.714 204 HG11 VAL 17 HG11 VAL 17 4.711 -0.489 5.848 205 HG12 VAL 17 HG12 VAL 17 4.691 -1.714 4.557 206 HG13 VAL 17 HG13 VAL 17 5.252 -0.080 4.204 207 HG21 VAL 17 HG21 VAL 17 8.506 -1.692 4.336 208 HG22 VAL 17 HG22 VAL 17 7.713 -0.217 3.785 209 HG23 VAL 17 HG23 VAL 17 7.093 -1.790 3.283 210 H THR 18 H THR 18 9.436 0.144 5.443 211 HA THR 18 HA THR 18 8.807 2.950 4.813 212 HB THR 18 HB THR 18 11.661 2.220 4.918 213 HG1 THR 18 HG1 THR 18 11.599 2.386 7.287 214 HG21 THR 18 HG21 THR 18 9.929 4.526 5.383 215 HG22 THR 18 HG22 THR 18 11.617 4.463 4.836 216 HG23 THR 18 HG23 THR 18 11.230 4.379 6.566 217 H VAL 19 H VAL 19 9.007 3.510 2.649 218 HA VAL 19 HA VAL 19 10.511 1.915 0.860 219 HB VAL 19 HB VAL 19 8.645 1.494 -0.706 220 HG11 VAL 19 HG11 VAL 19 9.292 -0.297 0.658 221 HG12 VAL 19 HG12 VAL 19 7.498 -0.181 0.471 222 HG13 VAL 19 HG13 VAL 19 8.332 0.378 2.030 223 HG21 VAL 19 HG21 VAL 19 7.040 3.125 -0.182 224 HG22 VAL 19 HG22 VAL 19 7.033 2.686 1.524 225 HG23 VAL 19 HG23 VAL 19 6.309 1.600 0.335 226 H ARG 20 H ARG 20 9.927 2.777 -1.489 227 HA ARG 20 HA ARG 20 9.828 5.659 -1.332 228 HB2 ARG 20 HB2 ARG 20 12.011 4.541 -1.988 229 HB3 ARG 20 HB3 ARG 20 11.254 4.103 -3.484 230 HG2 ARG 20 HG2 ARG 20 12.040 6.102 -4.234 231 HG3 ARG 20 HG3 ARG 20 10.783 6.844 -3.242 232 HD2 ARG 20 HD2 ARG 20 12.308 7.012 -1.375 233 HD3 ARG 20 HD3 ARG 20 13.557 6.161 -2.280 234 HE ARG 20 HE ARG 20 12.555 8.858 -2.922 235 HH11 ARG 20 HH11 ARG 20 15.056 6.426 -2.990 236 HH12 ARG 20 HH12 ARG 20 16.234 7.476 -3.702 237 HH21 ARG 20 HH21 ARG 20 14.101 10.244 -3.862 238 HH22 ARG 20 HH22 ARG 20 15.691 9.645 -4.198 239 H VAL 21 H VAL 21 8.788 6.813 -3.081 240 HA VAL 21 HA VAL 21 6.425 5.413 -4.020 241 HB VAL 21 HB VAL 21 7.433 8.191 -4.889 242 HG11 VAL 21 HG11 VAL 21 5.066 8.608 -5.300 243 HG12 VAL 21 HG12 VAL 21 4.718 6.928 -4.892 244 HG13 VAL 21 HG13 VAL 21 5.699 7.306 -6.308 245 HG21 VAL 21 HG21 VAL 21 6.072 9.097 -3.109 246 HG22 VAL 21 HG22 VAL 21 7.349 8.066 -2.464 247 HG23 VAL 21 HG23 VAL 21 5.695 7.463 -2.562 248 H LEU 22 H LEU 22 6.175 4.396 -5.873 249 HA LEU 22 HA LEU 22 8.234 4.573 -7.946 250 HB2 LEU 22 HB2 LEU 22 6.150 2.422 -7.617 251 HB3 LEU 22 HB3 LEU 22 7.566 2.386 -8.609 252 HG LEU 22 HG LEU 22 7.477 2.244 -5.623 253 HD11 LEU 22 HD11 LEU 22 8.596 0.265 -7.590 254 HD12 LEU 22 HD12 LEU 22 6.950 0.190 -6.965 255 HD13 LEU 22 HD13 LEU 22 8.317 0.043 -5.863 256 HD21 LEU 22 HD21 LEU 22 9.953 2.190 -7.336 257 HD22 LEU 22 HD22 LEU 22 9.837 2.205 -5.577 258 HD23 LEU 22 HD23 LEU 22 9.380 3.633 -6.495 259 H GLU 23 H GLU 23 4.946 5.084 -7.190 260 HA GLU 23 HA GLU 23 4.503 6.515 -9.688 261 HB2 GLU 23 HB2 GLU 23 4.067 3.951 -10.066 262 HB3 GLU 23 HB3 GLU 23 2.560 4.285 -9.225 263 HG2 GLU 23 HG2 GLU 23 1.730 4.832 -11.210 264 HG3 GLU 23 HG3 GLU 23 2.698 6.301 -11.095 265 H ALA 24 H ALA 24 2.219 7.414 -9.761 266 HA ALA 24 HA ALA 24 0.718 7.435 -7.320 267 HB1 ALA 24 HB1 ALA 24 2.243 9.934 -8.076 268 HB2 ALA 24 HB2 ALA 24 2.555 8.911 -6.673 269 HB3 ALA 24 HB3 ALA 24 1.041 9.807 -6.791 270 H SER 25 H SER 25 -1.347 7.776 -7.809 271 HA SER 25 HA SER 25 -1.963 9.144 -10.353 272 HB2 SER 25 HB2 SER 25 -2.601 6.573 -9.721 273 HB3 SER 25 HB3 SER 25 -4.048 7.419 -9.171 274 HG SER 25 HG SER 25 -3.683 6.686 -11.552 275 H GLU 26 H GLU 26 -3.833 10.509 -10.413 276 HA GLU 26 HA GLU 26 -4.123 12.142 -8.143 277 HB2 GLU 26 HB2 GLU 26 -6.010 12.029 -10.495 278 HB3 GLU 26 HB3 GLU 26 -5.691 13.381 -9.436 279 HG2 GLU 26 HG2 GLU 26 -3.611 12.187 -11.226 280 HG3 GLU 26 HG3 GLU 26 -4.655 13.525 -11.704 281 H ALA 27 H ALA 27 -6.013 12.558 -6.921 282 HA ALA 27 HA ALA 27 -7.179 10.120 -6.024 283 HB1 ALA 27 HB1 ALA 27 -8.027 11.466 -4.205 284 HB2 ALA 27 HB2 ALA 27 -7.583 12.938 -5.072 285 HB3 ALA 27 HB3 ALA 27 -6.310 11.815 -4.527 286 H ARG 28 H ARG 28 -9.062 9.254 -6.402 287 HA ARG 28 HA ARG 28 -11.142 10.799 -7.802 288 HB2 ARG 28 HB2 ARG 28 -10.535 9.581 -9.617 289 HB3 ARG 28 HB3 ARG 28 -9.688 8.382 -8.655 290 HG2 ARG 28 HG2 ARG 28 -12.357 7.887 -8.118 291 HG3 ARG 28 HG3 ARG 28 -12.339 8.299 -9.832 292 HD2 ARG 28 HD2 ARG 28 -10.789 6.562 -10.319 293 HD3 ARG 28 HD3 ARG 28 -10.459 6.285 -8.609 294 HE ARG 28 HE ARG 28 -13.203 5.854 -9.448 295 HH11 ARG 28 HH11 ARG 28 -10.078 4.399 -8.853 296 HH12 ARG 28 HH12 ARG 28 -10.726 2.808 -8.627 297 HH21 ARG 28 HH21 ARG 28 -14.047 3.755 -9.146 298 HH22 ARG 28 HH22 ARG 28 -12.976 2.440 -8.789 299 H GLN 29 H GLN 29 -13.301 9.936 -7.596 300 HA GLN 29 HA GLN 29 -13.845 8.879 -4.961 301 HB2 GLN 29 HB2 GLN 29 -15.580 9.980 -7.167 302 HB3 GLN 29 HB3 GLN 29 -16.256 9.257 -5.715 303 HG2 GLN 29 HG2 GLN 29 -15.069 10.912 -4.365 304 HG3 GLN 29 HG3 GLN 29 -14.454 11.657 -5.836 305 HE21 GLN 29 HE21 GLN 29 -17.268 11.096 -3.865 306 HE22 GLN 29 HE22 GLN 29 -18.275 12.289 -4.604 307 H ILE 30 H ILE 30 -14.777 6.933 -4.498 308 HA ILE 30 HA ILE 30 -15.357 5.139 -6.759 309 HB ILE 30 HB ILE 30 -14.453 3.265 -5.605 310 HG12 ILE 30 HG12 ILE 30 -13.741 4.954 -3.230 311 HG13 ILE 30 HG13 ILE 30 -15.323 4.189 -3.368 312 HG21 ILE 30 HG21 ILE 30 -12.623 5.645 -5.432 313 HG22 ILE 30 HG22 ILE 30 -12.670 4.384 -6.666 314 HG23 ILE 30 HG23 ILE 30 -12.073 4.010 -5.042 315 HD11 ILE 30 HD11 ILE 30 -14.378 2.027 -3.311 316 HD12 ILE 30 HD12 ILE 30 -13.563 2.945 -2.043 317 HD13 ILE 30 HD13 ILE 30 -12.751 2.652 -3.581 318 H GLN 31 H GLN 31 -16.934 3.438 -6.189 319 HA GLN 31 HA GLN 31 -18.865 4.383 -4.189 320 HB2 GLN 31 HB2 GLN 31 -19.280 3.035 -6.851 321 HB3 GLN 31 HB3 GLN 31 -20.540 3.075 -5.627 322 HG2 GLN 31 HG2 GLN 31 -20.446 5.538 -5.656 323 HG3 GLN 31 HG3 GLN 31 -19.248 5.451 -6.947 324 HE21 GLN 31 HE21 GLN 31 -19.883 4.781 -9.001 325 HE22 GLN 31 HE22 GLN 31 -21.541 4.743 -9.484 326 H THR 32 H THR 32 -18.856 3.157 -2.437 327 HA THR 32 HA THR 32 -18.314 0.274 -2.712 328 HB THR 32 HB THR 32 -17.687 0.252 -0.369 329 HG1 THR 32 HG1 THR 32 -17.877 2.013 0.900 330 HG21 THR 32 HG21 THR 32 -16.385 2.241 -2.177 331 HG22 THR 32 HG22 THR 32 -15.827 0.642 -1.691 332 HG23 THR 32 HG23 THR 32 -15.758 1.990 -0.547 333 H LYS 33 H LYS 33 -19.267 -0.746 -0.454 334 HA LYS 33 HA LYS 33 -22.114 -0.671 -0.894 335 HB2 LYS 33 HB2 LYS 33 -22.191 -2.548 0.676 336 HB3 LYS 33 HB3 LYS 33 -20.966 -2.807 -0.557 337 HG2 LYS 33 HG2 LYS 33 -19.210 -2.300 0.959 338 HG3 LYS 33 HG3 LYS 33 -20.349 -1.721 2.176 339 HD2 LYS 33 HD2 LYS 33 -21.303 -4.040 2.249 340 HD3 LYS 33 HD3 LYS 33 -19.966 -4.552 1.216 341 HE2 LYS 33 HE2 LYS 33 -18.365 -3.824 2.896 342 HE3 LYS 33 HE3 LYS 33 -19.678 -3.244 3.919 343 HZ1 LYS 33 HZ1 LYS 33 -19.160 -6.064 3.146 344 HZ2 LYS 33 HZ2 LYS 33 -20.500 -5.543 4.038 345 HZ3 LYS 33 HZ3 LYS 33 -18.944 -5.384 4.680 346 H ASN 34 H ASN 34 -19.987 1.066 0.964 347 HA ASN 34 HA ASN 34 -21.993 1.583 3.062 348 HB2 ASN 34 HB2 ASN 34 -18.999 2.010 3.098 349 HB3 ASN 34 HB3 ASN 34 -20.089 2.530 4.377 350 HD21 ASN 34 HD21 ASN 34 -21.125 0.969 5.648 351 HD22 ASN 34 HD22 ASN 34 -20.522 -0.646 5.761 352 H GLY 35 H GLY 35 -21.226 2.749 0.202 353 HA2 GLY 35 HA2 GLY 35 -22.364 4.898 -0.314 354 HA3 GLY 35 HA3 GLY 35 -21.503 5.571 1.062 355 H VAL 36 H VAL 36 -20.587 7.196 -0.276 356 HA VAL 36 HA VAL 36 -18.589 6.166 -2.169 357 HB VAL 36 HB VAL 36 -20.229 7.560 -3.266 358 HG11 VAL 36 HG11 VAL 36 -20.505 9.920 -2.759 359 HG12 VAL 36 HG12 VAL 36 -19.340 9.796 -1.440 360 HG13 VAL 36 HG13 VAL 36 -20.883 8.948 -1.337 361 HG21 VAL 36 HG21 VAL 36 -17.584 8.982 -3.051 362 HG22 VAL 36 HG22 VAL 36 -18.745 9.123 -4.372 363 HG23 VAL 36 HG23 VAL 36 -17.927 7.587 -4.074 364 H ARG 37 H ARG 37 -16.535 6.761 -2.098 365 HA ARG 37 HA ARG 37 -15.524 8.569 -0.031 366 HB2 ARG 37 HB2 ARG 37 -13.803 6.936 0.411 367 HB3 ARG 37 HB3 ARG 37 -15.343 6.674 1.154 368 HG2 ARG 37 HG2 ARG 37 -14.810 5.317 -1.434 369 HG3 ARG 37 HG3 ARG 37 -14.082 4.664 0.032 370 HD2 ARG 37 HD2 ARG 37 -16.968 5.378 -0.009 371 HD3 ARG 37 HD3 ARG 37 -16.426 3.854 -0.704 372 HE ARG 37 HE ARG 37 -15.396 3.447 1.560 373 HH11 ARG 37 HH11 ARG 37 -18.241 5.431 1.149 374 HH12 ARG 37 HH12 ARG 37 -18.827 5.141 2.753 375 HH21 ARG 37 HH21 ARG 37 -16.150 3.090 3.678 376 HH22 ARG 37 HH22 ARG 37 -17.639 3.810 4.189 377 H THR 38 H THR 38 -13.113 8.864 -0.307 378 HA THR 38 HA THR 38 -12.611 9.126 -3.202 379 HB THR 38 HB THR 38 -11.153 11.124 -2.377 380 HG1 THR 38 HG1 THR 38 -11.371 11.268 -0.269 381 HG21 THR 38 HG21 THR 38 -14.152 11.332 -2.534 382 HG22 THR 38 HG22 THR 38 -13.035 11.374 -3.897 383 HG23 THR 38 HG23 THR 38 -13.021 12.674 -2.706 384 H ILE 39 H ILE 39 -11.108 7.710 -3.681 385 HA ILE 39 HA ILE 39 -8.754 7.608 -1.922 386 HB ILE 39 HB ILE 39 -8.575 5.194 -2.487 387 HG12 ILE 39 HG12 ILE 39 -11.456 5.110 -3.100 388 HG13 ILE 39 HG13 ILE 39 -10.421 5.708 -4.400 389 HG21 ILE 39 HG21 ILE 39 -9.451 4.959 -0.477 390 HG22 ILE 39 HG22 ILE 39 -11.071 5.050 -1.166 391 HG23 ILE 39 HG23 ILE 39 -10.252 6.518 -0.645 392 HD11 ILE 39 HD11 ILE 39 -9.047 3.525 -3.624 393 HD12 ILE 39 HD12 ILE 39 -10.279 3.515 -4.881 394 HD13 ILE 39 HD13 ILE 39 -10.692 3.024 -3.237 395 H SER 40 H SER 40 -6.975 6.362 -3.073 396 HA SER 40 HA SER 40 -6.932 6.685 -5.944 397 HB2 SER 40 HB2 SER 40 -6.249 8.910 -4.932 398 HB3 SER 40 HB3 SER 40 -4.821 8.073 -4.295 399 HG SER 40 HG SER 40 -5.134 9.091 -6.690 400 H GLU 41 H GLU 41 -4.788 5.936 -6.811 401 HA GLU 41 HA GLU 41 -3.725 3.849 -5.071 402 HB2 GLU 41 HB2 GLU 41 -5.310 3.272 -7.078 403 HB3 GLU 41 HB3 GLU 41 -3.871 3.553 -8.043 404 HG2 GLU 41 HG2 GLU 41 -3.123 1.853 -5.921 405 HG3 GLU 41 HG3 GLU 41 -4.640 1.236 -6.571 406 H ALA 42 H ALA 42 -1.552 3.572 -5.029 407 HA ALA 42 HA ALA 42 0.144 5.010 -6.928 408 HB1 ALA 42 HB1 ALA 42 -0.334 6.619 -5.134 409 HB2 ALA 42 HB2 ALA 42 1.370 6.168 -5.198 410 HB3 ALA 42 HB3 ALA 42 0.322 5.483 -3.956 411 H ILE 43 H ILE 43 1.895 3.835 -7.405 412 HA ILE 43 HA ILE 43 2.366 1.358 -5.994 413 HB ILE 43 HB ILE 43 3.880 2.483 -8.347 414 HG12 ILE 43 HG12 ILE 43 1.569 2.325 -8.984 415 HG13 ILE 43 HG13 ILE 43 2.420 0.959 -9.699 416 HG21 ILE 43 HG21 ILE 43 4.635 0.254 -8.747 417 HG22 ILE 43 HG22 ILE 43 3.597 -0.386 -7.474 418 HG23 ILE 43 HG23 ILE 43 4.970 0.639 -7.059 419 HD11 ILE 43 HD11 ILE 43 1.610 -0.434 -7.791 420 HD12 ILE 43 HD12 ILE 43 0.343 0.174 -8.860 421 HD13 ILE 43 HD13 ILE 43 0.622 0.941 -7.295 422 H VAL 44 H VAL 44 3.828 1.031 -4.518 423 HA VAL 44 HA VAL 44 6.256 2.663 -4.236 424 HB VAL 44 HB VAL 44 5.949 1.614 -1.646 425 HG11 VAL 44 HG11 VAL 44 5.026 4.108 -2.967 426 HG12 VAL 44 HG12 VAL 44 5.535 3.889 -1.285 427 HG13 VAL 44 HG13 VAL 44 3.840 3.566 -1.765 428 HG21 VAL 44 HG21 VAL 44 3.946 0.466 -2.583 429 HG22 VAL 44 HG22 VAL 44 3.251 2.073 -2.872 430 HG23 VAL 44 HG23 VAL 44 3.593 1.538 -1.217 431 H GLY 45 H GLY 45 7.820 1.524 -3.012 432 HA2 GLY 45 HA2 GLY 45 7.759 -1.102 -2.227 433 HA3 GLY 45 HA3 GLY 45 8.325 -1.170 -3.887 434 H ASP 46 H ASP 46 9.952 -2.164 -2.027 435 HA ASP 46 HA ASP 46 12.072 -0.134 -1.820 436 HB2 ASP 46 HB2 ASP 46 12.815 -1.248 0.281 437 HB3 ASP 46 HB3 ASP 46 11.224 -0.508 0.416 438 H GLU 47 H GLU 47 14.068 -1.803 -0.879 439 HA GLU 47 HA GLU 47 14.834 -3.139 -3.278 440 HB2 GLU 47 HB2 GLU 47 16.867 -3.793 -1.897 441 HB3 GLU 47 HB3 GLU 47 16.587 -2.072 -2.116 442 HG2 GLU 47 HG2 GLU 47 16.382 -1.727 0.072 443 HG3 GLU 47 HG3 GLU 47 15.293 -3.100 0.266 444 H THR 48 H THR 48 12.777 -4.120 -0.915 445 HA THR 48 HA THR 48 13.657 -6.923 -1.019 446 HB THR 48 HB THR 48 12.467 -7.321 0.937 447 HG1 THR 48 HG1 THR 48 10.662 -5.758 -0.086 448 HG21 THR 48 HG21 THR 48 14.389 -5.610 1.103 449 HG22 THR 48 HG22 THR 48 13.319 -5.808 2.491 450 HG23 THR 48 HG23 THR 48 13.108 -4.434 1.406 451 H GLY 49 H GLY 49 11.715 -4.976 -2.805 452 HA2 GLY 49 HA2 GLY 49 10.543 -6.632 -4.452 453 HA3 GLY 49 HA3 GLY 49 9.525 -6.893 -3.048 454 H ARG 50 H ARG 50 7.681 -6.113 -3.988 455 HA ARG 50 HA ARG 50 7.374 -3.275 -4.007 456 HB2 ARG 50 HB2 ARG 50 8.174 -3.607 -6.273 457 HB3 ARG 50 HB3 ARG 50 7.002 -4.896 -6.526 458 HG2 ARG 50 HG2 ARG 50 5.318 -2.977 -5.864 459 HG3 ARG 50 HG3 ARG 50 6.629 -1.972 -6.475 460 HD2 ARG 50 HD2 ARG 50 5.636 -4.331 -8.033 461 HD3 ARG 50 HD3 ARG 50 4.783 -2.793 -8.097 462 HE ARG 50 HE ARG 50 7.638 -2.830 -8.697 463 HH11 ARG 50 HH11 ARG 50 4.353 -2.495 -9.803 464 HH12 ARG 50 HH12 ARG 50 4.800 -1.827 -11.337 465 HH21 ARG 50 HH21 ARG 50 8.241 -1.942 -10.706 466 HH22 ARG 50 HH22 ARG 50 7.014 -1.513 -11.851 467 H VAL 51 H VAL 51 5.298 -2.698 -3.718 468 HA VAL 51 HA VAL 51 3.151 -4.625 -3.871 469 HB VAL 51 HB VAL 51 3.933 -5.050 -1.640 470 HG11 VAL 51 HG11 VAL 51 3.746 -2.075 -1.168 471 HG12 VAL 51 HG12 VAL 51 5.233 -3.017 -1.285 472 HG13 VAL 51 HG13 VAL 51 4.119 -3.289 0.055 473 HG21 VAL 51 HG21 VAL 51 1.524 -3.266 -1.628 474 HG22 VAL 51 HG22 VAL 51 1.969 -4.367 -0.323 475 HG23 VAL 51 HG23 VAL 51 1.543 -5.003 -1.913 476 H LYS 52 H LYS 52 1.272 -3.691 -4.452 477 HA LYS 52 HA LYS 52 1.169 -0.962 -5.160 478 HB2 LYS 52 HB2 LYS 52 -1.294 -2.635 -4.816 479 HB3 LYS 52 HB3 LYS 52 -0.949 -1.420 -6.037 480 HG2 LYS 52 HG2 LYS 52 0.969 -3.493 -6.305 481 HG3 LYS 52 HG3 LYS 52 -0.628 -4.232 -6.190 482 HD2 LYS 52 HD2 LYS 52 -1.430 -3.011 -8.050 483 HD3 LYS 52 HD3 LYS 52 -0.029 -1.937 -8.043 484 HE2 LYS 52 HE2 LYS 52 0.156 -3.552 -9.847 485 HE3 LYS 52 HE3 LYS 52 1.413 -3.840 -8.643 486 HZ1 LYS 52 HZ1 LYS 52 0.074 -5.635 -7.730 487 HZ2 LYS 52 HZ2 LYS 52 0.384 -5.904 -9.370 488 HZ3 LYS 52 HZ3 LYS 52 -1.137 -5.354 -8.878 489 H LEU 53 H LEU 53 0.536 0.812 -4.044 490 HA LEU 53 HA LEU 53 -0.553 0.441 -1.345 491 HB2 LEU 53 HB2 LEU 53 1.613 1.749 -1.838 492 HB3 LEU 53 HB3 LEU 53 0.562 3.010 -2.444 493 HG LEU 53 HG LEU 53 1.439 3.228 -0.051 494 HD11 LEU 53 HD11 LEU 53 -0.349 4.624 -0.940 495 HD12 LEU 53 HD12 LEU 53 -0.627 4.225 0.754 496 HD13 LEU 53 HD13 LEU 53 -1.536 3.392 -0.507 497 HD21 LEU 53 HD21 LEU 53 0.214 2.080 1.685 498 HD22 LEU 53 HD22 LEU 53 1.002 0.910 0.624 499 HD23 LEU 53 HD23 LEU 53 -0.730 1.208 0.479 500 H THR 54 H THR 54 -2.388 1.357 -0.703 501 HA THR 54 HA THR 54 -3.984 2.871 -2.614 502 HB THR 54 HB THR 54 -5.527 1.175 -0.754 503 HG1 THR 54 HG1 THR 54 -4.127 0.114 -3.014 504 HG21 THR 54 HG21 THR 54 -5.713 2.429 -3.416 505 HG22 THR 54 HG22 THR 54 -6.940 2.283 -2.160 506 HG23 THR 54 HG23 THR 54 -6.586 0.920 -3.218 507 H LEU 55 H LEU 55 -4.211 4.762 -1.810 508 HA LEU 55 HA LEU 55 -4.182 5.335 0.998 509 HB2 LEU 55 HB2 LEU 55 -4.876 7.261 -1.142 510 HB3 LEU 55 HB3 LEU 55 -3.954 7.526 0.306 511 HG LEU 55 HG LEU 55 -2.585 5.629 -1.335 512 HD11 LEU 55 HD11 LEU 55 -2.065 7.668 -2.994 513 HD12 LEU 55 HD12 LEU 55 -3.777 7.911 -2.679 514 HD13 LEU 55 HD13 LEU 55 -3.224 6.382 -3.338 515 HD21 LEU 55 HD21 LEU 55 -1.572 7.013 0.421 516 HD22 LEU 55 HD22 LEU 55 -1.856 8.443 -0.576 517 HD23 LEU 55 HD23 LEU 55 -0.760 7.180 -1.135 518 H TRP 56 H TRP 56 -5.934 6.503 2.082 519 HA TRP 56 HA TRP 56 -8.544 6.113 0.798 520 HB2 TRP 56 HB2 TRP 56 -7.608 5.123 3.442 521 HB3 TRP 56 HB3 TRP 56 -9.316 5.445 3.203 522 HD1 TRP 56 HD1 TRP 56 -6.546 3.021 2.261 523 HE1 TRP 56 HE1 TRP 56 -7.506 1.074 0.905 524 HE3 TRP 56 HE3 TRP 56 -11.323 4.793 1.572 525 HZ2 TRP 56 HZ2 TRP 56 -10.016 0.371 -0.268 526 HZ3 TRP 56 HZ3 TRP 56 -12.907 3.415 0.314 527 HH2 TRP 56 HH2 TRP 56 -12.272 1.259 -0.590 528 H GLY 57 H GLY 57 -9.761 7.753 0.718 529 HA2 GLY 57 HA2 GLY 57 -10.862 9.678 1.133 530 HA3 GLY 57 HA3 GLY 57 -10.398 9.536 2.801 531 H LYS 58 H LYS 58 -8.563 10.748 3.539 532 HA LYS 58 HA LYS 58 -7.936 12.990 1.820 533 HB2 LYS 58 HB2 LYS 58 -6.502 13.617 3.949 534 HB3 LYS 58 HB3 LYS 58 -8.242 13.843 3.910 535 HG2 LYS 58 HG2 LYS 58 -7.786 12.878 5.990 536 HG3 LYS 58 HG3 LYS 58 -8.414 11.559 5.003 537 HD2 LYS 58 HD2 LYS 58 -5.785 11.329 4.476 538 HD3 LYS 58 HD3 LYS 58 -5.714 11.986 6.112 539 HE2 LYS 58 HE2 LYS 58 -7.481 9.665 5.430 540 HE3 LYS 58 HE3 LYS 58 -5.773 9.442 5.813 541 HZ1 LYS 58 HZ1 LYS 58 -7.112 9.165 7.786 542 HZ2 LYS 58 HZ2 LYS 58 -7.828 10.681 7.569 543 HZ3 LYS 58 HZ3 LYS 58 -6.183 10.570 7.944 544 H HIS 59 H HIS 59 -6.340 10.065 2.795 545 HA HIS 59 HA HIS 59 -3.687 10.867 2.178 546 HB2 HIS 59 HB2 HIS 59 -5.075 8.225 2.552 547 HB3 HIS 59 HB3 HIS 59 -3.440 8.288 1.909 548 HD2 HIS 59 HD2 HIS 59 -4.847 7.612 5.200 549 HE1 HIS 59 HE1 HIS 59 -1.394 9.943 6.023 550 HE2 HIS 59 HE2 HIS 59 -3.150 8.398 6.958 551 H ALA 60 H ALA 60 -6.431 9.948 0.340 552 HA ALA 60 HA ALA 60 -5.315 8.883 -1.961 553 HB1 ALA 60 HB1 ALA 60 -7.399 8.975 -2.792 554 HB2 ALA 60 HB2 ALA 60 -7.592 10.682 -2.388 555 HB3 ALA 60 HB3 ALA 60 -7.827 9.450 -1.145 556 H GLY 61 H GLY 61 -4.018 9.673 -3.477 557 HA2 GLY 61 HA2 GLY 61 -2.828 11.147 -4.751 558 HA3 GLY 61 HA3 GLY 61 -4.237 12.146 -4.680 559 H SER 62 H SER 62 -3.156 11.604 -1.566 560 HA SER 62 HA SER 62 -2.211 14.332 -1.375 561 HB2 SER 62 HB2 SER 62 -3.650 13.696 0.392 562 HB3 SER 62 HB3 SER 62 -2.778 12.173 0.655 563 HG SER 62 HG SER 62 -1.316 13.200 1.801 564 H ILE 63 H ILE 63 -0.822 11.226 -1.707 565 HA ILE 63 HA ILE 63 1.656 11.800 -0.394 566 HB ILE 63 HB ILE 63 2.483 9.752 -1.700 567 HG12 ILE 63 HG12 ILE 63 -0.088 8.634 -2.163 568 HG13 ILE 63 HG13 ILE 63 -0.054 10.190 -2.980 569 HG21 ILE 63 HG21 ILE 63 1.331 8.235 -0.192 570 HG22 ILE 63 HG22 ILE 63 0.055 9.419 0.092 571 HG23 ILE 63 HG23 ILE 63 1.696 9.739 0.654 572 HD11 ILE 63 HD11 ILE 63 0.669 8.478 -4.492 573 HD12 ILE 63 HD12 ILE 63 1.887 7.924 -3.345 574 HD13 ILE 63 HD13 ILE 63 2.041 9.513 -4.094 575 H LYS 64 H LYS 64 3.747 11.457 -1.696 576 HA LYS 64 HA LYS 64 3.694 13.370 -3.914 577 HB2 LYS 64 HB2 LYS 64 5.559 12.798 -1.710 578 HB3 LYS 64 HB3 LYS 64 6.325 13.070 -3.269 579 HG2 LYS 64 HG2 LYS 64 5.007 15.200 -3.434 580 HG3 LYS 64 HG3 LYS 64 4.527 14.942 -1.755 581 HD2 LYS 64 HD2 LYS 64 7.150 14.658 -1.450 582 HD3 LYS 64 HD3 LYS 64 7.175 15.676 -2.891 583 HE2 LYS 64 HE2 LYS 64 5.991 17.412 -1.792 584 HE3 LYS 64 HE3 LYS 64 5.588 16.367 -0.430 585 HZ1 LYS 64 HZ1 LYS 64 7.374 17.897 0.120 586 HZ2 LYS 64 HZ2 LYS 64 8.319 17.291 -1.144 587 HZ3 LYS 64 HZ3 LYS 64 7.926 16.298 0.167 588 H GLU 65 H GLU 65 5.929 12.922 -5.212 589 HA GLU 65 HA GLU 65 5.533 10.374 -6.529 590 HB2 GLU 65 HB2 GLU 65 6.490 13.000 -7.275 591 HB3 GLU 65 HB3 GLU 65 7.681 11.778 -7.698 592 HG2 GLU 65 HG2 GLU 65 6.230 10.681 -9.156 593 HG3 GLU 65 HG3 GLU 65 4.822 11.443 -8.406 594 H GLY 66 H GLY 66 7.993 9.695 -7.447 595 HA2 GLY 66 HA2 GLY 66 9.040 8.047 -5.576 596 HA3 GLY 66 HA3 GLY 66 10.014 8.753 -6.846 597 H GLN 67 H GLN 67 8.963 9.042 -3.531 598 HA GLN 67 HA GLN 67 11.408 10.471 -2.810 599 HB2 GLN 67 HB2 GLN 67 10.164 11.964 -1.332 600 HB3 GLN 67 HB3 GLN 67 9.606 12.175 -2.986 601 HG2 GLN 67 HG2 GLN 67 7.562 11.986 -2.172 602 HG3 GLN 67 HG3 GLN 67 7.903 10.264 -2.040 603 HE21 GLN 67 HE21 GLN 67 8.585 9.436 -0.031 604 HE22 GLN 67 HE22 GLN 67 8.204 10.252 1.444 605 H VAL 68 H VAL 68 11.797 10.238 -0.360 606 HA VAL 68 HA VAL 68 11.282 7.512 0.317 607 HB VAL 68 HB VAL 68 12.673 9.501 2.082 608 HG11 VAL 68 HG11 VAL 68 12.603 6.584 1.701 609 HG12 VAL 68 HG12 VAL 68 12.365 7.502 3.181 610 HG13 VAL 68 HG13 VAL 68 13.986 7.317 2.509 611 HG21 VAL 68 HG21 VAL 68 14.751 8.905 0.999 612 HG22 VAL 68 HG22 VAL 68 13.632 9.701 -0.126 613 HG23 VAL 68 HG23 VAL 68 13.819 7.916 -0.151 614 H VAL 69 H VAL 69 9.480 6.950 1.300 615 HA VAL 69 HA VAL 69 8.289 8.805 3.256 616 HB VAL 69 HB VAL 69 6.302 6.964 2.558 617 HG11 VAL 69 HG11 VAL 69 5.090 8.876 1.797 618 HG12 VAL 69 HG12 VAL 69 6.579 9.791 1.563 619 HG13 VAL 69 HG13 VAL 69 6.064 9.348 3.191 620 HG21 VAL 69 HG21 VAL 69 8.089 7.318 0.341 621 HG22 VAL 69 HG22 VAL 69 6.511 8.008 -0.038 622 HG23 VAL 69 HG23 VAL 69 6.639 6.320 0.457 623 H LYS 70 H LYS 70 6.689 7.444 4.712 624 HA LYS 70 HA LYS 70 7.905 4.894 5.455 625 HB2 LYS 70 HB2 LYS 70 8.914 6.804 6.804 626 HB3 LYS 70 HB3 LYS 70 7.324 7.014 7.522 627 HG2 LYS 70 HG2 LYS 70 7.849 4.304 7.794 628 HG3 LYS 70 HG3 LYS 70 9.390 5.095 8.137 629 HD2 LYS 70 HD2 LYS 70 8.126 6.621 9.698 630 HD3 LYS 70 HD3 LYS 70 6.734 5.558 9.483 631 HE2 LYS 70 HE2 LYS 70 8.085 3.665 10.296 632 HE3 LYS 70 HE3 LYS 70 9.438 4.764 10.559 633 HZ1 LYS 70 HZ1 LYS 70 8.223 4.356 12.604 634 HZ2 LYS 70 HZ2 LYS 70 6.794 4.926 11.904 635 HZ3 LYS 70 HZ3 LYS 70 8.091 5.982 12.156 636 H ILE 71 H ILE 71 6.234 3.563 5.208 637 HA ILE 71 HA ILE 71 3.527 4.394 5.677 638 HB ILE 71 HB ILE 71 4.601 1.617 5.180 639 HG12 ILE 71 HG12 ILE 71 5.028 3.447 3.425 640 HG13 ILE 71 HG13 ILE 71 4.254 1.957 2.879 641 HG21 ILE 71 HG21 ILE 71 1.835 2.764 5.278 642 HG22 ILE 71 HG22 ILE 71 2.468 1.321 6.073 643 HG23 ILE 71 HG23 ILE 71 2.189 1.319 4.331 644 HD11 ILE 71 HD11 ILE 71 3.317 4.128 1.986 645 HD12 ILE 71 HD12 ILE 71 2.730 4.450 3.618 646 HD13 ILE 71 HD13 ILE 71 2.142 3.044 2.730 647 H GLU 72 H GLU 72 2.134 3.752 7.377 648 HA GLU 72 HA GLU 72 3.502 2.627 9.664 649 HB2 GLU 72 HB2 GLU 72 2.444 5.101 9.510 650 HB3 GLU 72 HB3 GLU 72 1.071 4.243 10.109 651 HG2 GLU 72 HG2 GLU 72 3.482 3.546 11.529 652 HG3 GLU 72 HG3 GLU 72 3.181 5.283 11.575 653 H ASN 73 H ASN 73 1.630 2.062 11.211 654 HA ASN 73 HA ASN 73 0.553 -0.371 10.536 655 HB2 ASN 73 HB2 ASN 73 0.635 1.194 12.750 656 HB3 ASN 73 HB3 ASN 73 -1.039 1.264 12.291 657 HD21 ASN 73 HD21 ASN 73 -2.301 -0.347 13.077 658 HD22 ASN 73 HD22 ASN 73 -1.759 -1.860 13.685 659 H ALA 74 H ALA 74 -0.552 -0.581 8.695 660 HA ALA 74 HA ALA 74 -3.156 0.790 8.547 661 HB1 ALA 74 HB1 ALA 74 -1.853 1.615 6.751 662 HB2 ALA 74 HB2 ALA 74 -2.928 0.401 6.056 663 HB3 ALA 74 HB3 ALA 74 -1.238 0.009 6.368 664 H TRP 75 H TRP 75 -2.332 -1.590 6.239 665 HA TRP 75 HA TRP 75 -2.940 -3.995 7.496 666 HB2 TRP 75 HB2 TRP 75 -5.284 -4.330 6.661 667 HB3 TRP 75 HB3 TRP 75 -5.132 -3.208 8.005 668 HD1 TRP 75 HD1 TRP 75 -5.807 -3.210 4.204 669 HE1 TRP 75 HE1 TRP 75 -7.045 -1.060 3.634 670 HE3 TRP 75 HE3 TRP 75 -5.570 -0.843 8.699 671 HZ2 TRP 75 HZ2 TRP 75 -7.774 1.276 4.839 672 HZ3 TRP 75 HZ3 TRP 75 -6.577 1.406 8.900 673 HH2 TRP 75 HH2 TRP 75 -7.704 2.425 6.960 674 H THR 76 H THR 76 -3.820 -5.610 5.892 675 HA THR 76 HA THR 76 -2.919 -4.977 3.184 676 HB THR 76 HB THR 76 -1.978 -7.380 3.165 677 HG1 THR 76 HG1 THR 76 -1.087 -7.812 5.376 678 HG21 THR 76 HG21 THR 76 0.205 -6.538 4.163 679 HG22 THR 76 HG22 THR 76 -0.655 -5.038 4.507 680 HG23 THR 76 HG23 THR 76 -0.483 -5.593 2.841 681 H THR 77 H THR 77 -4.173 -5.767 1.656 682 HA THR 77 HA THR 77 -6.210 -7.751 2.404 683 HB THR 77 HB THR 77 -7.905 -6.557 1.261 684 HG1 THR 77 HG1 THR 77 -7.488 -5.231 -0.365 685 HG21 THR 77 HG21 THR 77 -7.184 -5.513 3.448 686 HG22 THR 77 HG22 THR 77 -7.996 -4.402 2.348 687 HG23 THR 77 HG23 THR 77 -6.242 -4.349 2.519 688 H ALA 78 H ALA 78 -6.326 -9.466 1.022 689 HA ALA 78 HA ALA 78 -4.453 -9.465 -1.199 690 HB1 ALA 78 HB1 ALA 78 -4.450 -11.348 0.354 691 HB2 ALA 78 HB2 ALA 78 -4.816 -11.862 -1.293 692 HB3 ALA 78 HB3 ALA 78 -6.111 -11.727 -0.102 693 H PHE 79 H PHE 79 -5.194 -8.565 -3.029 694 HA PHE 79 HA PHE 79 -7.871 -9.185 -3.932 695 HB2 PHE 79 HB2 PHE 79 -6.915 -6.795 -3.731 696 HB3 PHE 79 HB3 PHE 79 -5.971 -7.214 -5.175 697 HD1 PHE 79 HD1 PHE 79 -9.410 -7.238 -3.863 698 HD2 PHE 79 HD2 PHE 79 -6.909 -6.946 -7.263 699 HE1 PHE 79 HE1 PHE 79 -11.343 -6.754 -5.234 700 HE2 PHE 79 HE2 PHE 79 -8.835 -6.418 -8.640 701 HZ PHE 79 HZ PHE 79 -11.090 -6.326 -7.644 702 H LYS 80 H LYS 80 -8.141 -10.607 -5.501 703 HA LYS 80 HA LYS 80 -7.804 -11.977 -7.263 704 HB2 LYS 80 HB2 LYS 80 -5.591 -10.053 -7.969 705 HB3 LYS 80 HB3 LYS 80 -6.323 -11.234 -9.058 706 HG2 LYS 80 HG2 LYS 80 -7.777 -8.984 -7.715 707 HG3 LYS 80 HG3 LYS 80 -7.153 -8.928 -9.361 708 HD2 LYS 80 HD2 LYS 80 -8.615 -10.837 -9.928 709 HD3 LYS 80 HD3 LYS 80 -9.258 -10.794 -8.282 710 HE2 LYS 80 HE2 LYS 80 -9.732 -8.300 -8.816 711 HE3 LYS 80 HE3 LYS 80 -9.594 -8.814 -10.496 712 HZ1 LYS 80 HZ1 LYS 80 -11.882 -8.879 -9.778 713 HZ2 LYS 80 HZ2 LYS 80 -11.495 -9.909 -8.494 714 HZ3 LYS 80 HZ3 LYS 80 -11.341 -10.452 -10.088 715 H GLY 81 H GLY 81 -6.014 -12.110 -4.697 716 HA2 GLY 81 HA2 GLY 81 -4.896 -14.142 -4.099 717 HA3 GLY 81 HA3 GLY 81 -4.356 -14.298 -5.764 718 H GLN 82 H GLN 82 -3.823 -11.200 -5.389 719 HA GLN 82 HA GLN 82 -1.105 -11.612 -4.355 720 HB2 GLN 82 HB2 GLN 82 -1.365 -8.992 -5.387 721 HB3 GLN 82 HB3 GLN 82 -0.425 -10.322 -6.049 722 HG2 GLN 82 HG2 GLN 82 -1.803 -10.540 -7.778 723 HG3 GLN 82 HG3 GLN 82 -3.229 -10.525 -6.744 724 HE21 GLN 82 HE21 GLN 82 -2.768 -7.964 -5.583 725 HE22 GLN 82 HE22 GLN 82 -3.062 -6.780 -6.806 726 H VAL 83 H VAL 83 -0.275 -10.266 -2.725 727 HA VAL 83 HA VAL 83 -2.263 -9.262 -0.921 728 HB VAL 83 HB VAL 83 0.702 -8.767 -0.655 729 HG11 VAL 83 HG11 VAL 83 -0.187 -9.306 1.816 730 HG12 VAL 83 HG12 VAL 83 -1.649 -8.618 1.106 731 HG13 VAL 83 HG13 VAL 83 -0.152 -7.687 1.121 732 HG21 VAL 83 HG21 VAL 83 0.406 -11.139 -1.157 733 HG22 VAL 83 HG22 VAL 83 -0.776 -11.269 0.144 734 HG23 VAL 83 HG23 VAL 83 0.906 -10.896 0.516 735 H GLN 84 H GLN 84 -2.353 -7.044 -0.111 736 HA GLN 84 HA GLN 84 -1.186 -5.015 -1.850 737 HB2 GLN 84 HB2 GLN 84 -3.594 -5.816 -2.574 738 HB3 GLN 84 HB3 GLN 84 -4.112 -4.797 -1.241 739 HG2 GLN 84 HG2 GLN 84 -3.076 -2.870 -2.262 740 HG3 GLN 84 HG3 GLN 84 -2.426 -3.876 -3.556 741 HE21 GLN 84 HE21 GLN 84 -5.289 -2.434 -2.198 742 HE22 GLN 84 HE22 GLN 84 -6.305 -2.647 -3.607 743 H LEU 85 H LEU 85 -1.354 -2.861 -0.918 744 HA LEU 85 HA LEU 85 -1.738 -2.931 2.004 745 HB2 LEU 85 HB2 LEU 85 0.626 -2.715 0.705 746 HB3 LEU 85 HB3 LEU 85 0.213 -1.029 0.907 747 HG LEU 85 HG LEU 85 -0.183 -2.372 3.401 748 HD11 LEU 85 HD11 LEU 85 2.127 -3.062 3.844 749 HD12 LEU 85 HD12 LEU 85 2.532 -2.781 2.151 750 HD13 LEU 85 HD13 LEU 85 1.384 -4.048 2.584 751 HD21 LEU 85 HD21 LEU 85 1.541 -0.731 4.108 752 HD22 LEU 85 HD22 LEU 85 0.212 -0.015 3.195 753 HD23 LEU 85 HD23 LEU 85 1.768 -0.299 2.411 754 H ASN 86 H ASN 86 -2.494 -1.013 2.980 755 HA ASN 86 HA ASN 86 -3.445 1.106 1.142 756 HB2 ASN 86 HB2 ASN 86 -5.073 -0.092 3.386 757 HB3 ASN 86 HB3 ASN 86 -5.597 1.134 2.264 758 HD21 ASN 86 HD21 ASN 86 -4.599 -2.152 2.576 759 HD22 ASN 86 HD22 ASN 86 -5.397 -2.741 1.161 760 H ALA 87 H ALA 87 -4.251 3.030 2.412 761 HA ALA 87 HA ALA 87 -3.007 3.134 5.057 762 HB1 ALA 87 HB1 ALA 87 -2.666 5.340 3.028 763 HB2 ALA 87 HB2 ALA 87 -1.437 4.130 3.399 764 HB3 ALA 87 HB3 ALA 87 -1.968 5.259 4.644 765 H GLY 88 H GLY 88 -4.535 3.662 6.438 766 HA2 GLY 88 HA2 GLY 88 -6.621 5.542 5.602 767 HA3 GLY 88 HA3 GLY 88 -6.889 4.230 6.668 768 H SER 89 H SER 89 -7.328 4.905 8.624 769 HA SER 89 HA SER 89 -6.385 7.452 9.504 770 HB2 SER 89 HB2 SER 89 -8.111 5.388 10.882 771 HB3 SER 89 HB3 SER 89 -7.738 6.974 11.558 772 HG SER 89 HG SER 89 -9.756 6.604 10.191 773 H LYS 90 H LYS 90 -5.943 4.123 10.959 774 HA LYS 90 HA LYS 90 -4.142 5.181 12.917 775 HB2 LYS 90 HB2 LYS 90 -3.723 2.990 13.691 776 HB3 LYS 90 HB3 LYS 90 -5.402 2.985 13.233 777 HG2 LYS 90 HG2 LYS 90 -3.778 2.136 11.037 778 HG3 LYS 90 HG3 LYS 90 -3.425 1.203 12.481 779 HD2 LYS 90 HD2 LYS 90 -6.139 1.282 12.553 780 HD3 LYS 90 HD3 LYS 90 -5.832 1.246 10.815 781 HE2 LYS 90 HE2 LYS 90 -5.277 -0.902 10.895 782 HE3 LYS 90 HE3 LYS 90 -4.109 -0.603 12.180 783 HZ1 LYS 90 HZ1 LYS 90 -5.939 -0.700 13.784 784 HZ2 LYS 90 HZ2 LYS 90 -5.774 -2.148 12.926 785 HZ3 LYS 90 HZ3 LYS 90 -7.018 -1.071 12.535 786 H THR 91 H THR 91 -3.780 5.033 9.771 787 HA THR 91 HA THR 91 -0.941 4.284 9.772 788 HB THR 91 HB THR 91 -2.528 5.077 7.333 789 HG1 THR 91 HG1 THR 91 -2.637 2.606 8.723 790 HG21 THR 91 HG21 THR 91 -0.279 3.110 7.774 791 HG22 THR 91 HG22 THR 91 -0.119 4.734 7.106 792 HG23 THR 91 HG23 THR 91 -1.019 3.502 6.222 793 H LYS 92 H LYS 92 0.504 5.942 9.846 794 HA LYS 92 HA LYS 92 -0.368 8.611 8.953 795 HB2 LYS 92 HB2 LYS 92 0.889 7.743 11.414 796 HB3 LYS 92 HB3 LYS 92 1.888 8.929 10.585 797 HG2 LYS 92 HG2 LYS 92 0.474 10.091 12.099 798 HG3 LYS 92 HG3 LYS 92 -0.098 10.424 10.464 799 HD2 LYS 92 HD2 LYS 92 -1.853 8.736 10.740 800 HD3 LYS 92 HD3 LYS 92 -1.281 8.410 12.379 801 HE2 LYS 92 HE2 LYS 92 -1.752 10.745 12.987 802 HE3 LYS 92 HE3 LYS 92 -2.361 11.035 11.357 803 HZ1 LYS 92 HZ1 LYS 92 -4.160 10.617 12.908 804 HZ2 LYS 92 HZ2 LYS 92 -3.501 9.113 13.314 805 HZ3 LYS 92 HZ3 LYS 92 -4.084 9.385 11.750 806 H ILE 93 H ILE 93 0.509 9.018 6.998 807 HA ILE 93 HA ILE 93 3.098 7.804 6.369 808 HB ILE 93 HB ILE 93 1.504 9.458 4.436 809 HG12 ILE 93 HG12 ILE 93 1.082 6.504 4.980 810 HG13 ILE 93 HG13 ILE 93 -0.030 7.784 5.448 811 HG21 ILE 93 HG21 ILE 93 3.779 8.804 3.830 812 HG22 ILE 93 HG22 ILE 93 2.586 8.018 2.791 813 HG23 ILE 93 HG23 ILE 93 3.361 7.107 4.086 814 HD11 ILE 93 HD11 ILE 93 0.681 6.889 2.676 815 HD12 ILE 93 HD12 ILE 93 -0.193 8.381 3.017 816 HD13 ILE 93 HD13 ILE 93 -0.886 6.829 3.483 817 H ALA 94 H ALA 94 4.924 8.939 5.881 818 HA ALA 94 HA ALA 94 4.993 11.821 5.520 819 HB1 ALA 94 HB1 ALA 94 6.296 12.308 7.469 820 HB2 ALA 94 HB2 ALA 94 5.984 10.685 8.146 821 HB3 ALA 94 HB3 ALA 94 4.647 11.832 7.940 822 H GLU 95 H GLU 95 6.984 12.641 4.885 823 HA GLU 95 HA GLU 95 8.691 10.855 3.540 824 HB2 GLU 95 HB2 GLU 95 9.491 13.673 4.249 825 HB3 GLU 95 HB3 GLU 95 9.741 12.663 2.998 826 HG2 GLU 95 HG2 GLU 95 8.360 13.742 1.887 827 HG3 GLU 95 HG3 GLU 95 7.192 12.782 2.622 828 H ALA 96 H ALA 96 10.520 9.972 4.050 829 HA ALA 96 HA ALA 96 11.658 10.485 6.738 830 HB1 ALA 96 HB1 ALA 96 12.005 8.197 7.166 831 HB2 ALA 96 HB2 ALA 96 11.679 7.758 5.482 832 HB3 ALA 96 HB3 ALA 96 10.358 8.299 6.532 833 H SER 97 H SER 97 13.845 10.666 6.859 834 HA SER 97 HA SER 97 15.324 10.407 4.325 835 HB2 SER 97 HB2 SER 97 16.955 11.995 5.435 836 HB3 SER 97 HB3 SER 97 15.405 12.651 5.012 837 HG SER 97 HG SER 97 15.488 11.560 7.527 838 H GLU 98 H GLU 98 16.837 8.888 4.188 839 HA GLU 98 HA GLU 98 18.058 7.884 6.669 840 HB2 GLU 98 HB2 GLU 98 17.068 6.247 4.327 841 HB3 GLU 98 HB3 GLU 98 18.026 5.592 5.624 842 HG2 GLU 98 HG2 GLU 98 15.643 6.992 6.496 843 HG3 GLU 98 HG3 GLU 98 15.390 5.501 5.589 844 H ASP 99 H ASP 99 19.728 5.973 5.228 845 HA ASP 99 HA ASP 99 21.788 7.712 4.400 846 HB2 ASP 99 HB2 ASP 99 21.522 4.743 4.750 847 HB3 ASP 99 HB3 ASP 99 22.931 5.418 3.940 848 H GLY 100 H GLY 100 19.222 7.343 2.756 849 HA2 GLY 100 HA2 GLY 100 19.112 7.794 0.429 850 HA3 GLY 100 HA3 GLY 100 20.645 6.969 0.191 851 H PHE 101 H PHE 101 17.203 6.509 0.762 852 HA PHE 101 HA PHE 101 17.134 3.710 0.618 853 HB2 PHE 101 HB2 PHE 101 15.268 5.771 0.902 854 HB3 PHE 101 HB3 PHE 101 14.794 4.945 -0.578 855 HD1 PHE 101 HD2 PHE 101 15.800 4.170 2.934 856 HD2 PHE 101 HD1 PHE 101 13.384 3.141 -0.412 857 HE1 PHE 101 HE2 PHE 101 14.731 2.404 4.257 858 HE2 PHE 101 HE1 PHE 101 12.288 1.408 0.870 859 HZ PHE 101 HZ PHE 101 12.973 1.007 3.251 860 HA PRO 102 HA PRO 102 18.069 2.603 -3.554 861 HB2 PRO 102 HB2 PRO 102 15.594 0.943 -3.413 862 HB3 PRO 102 HB3 PRO 102 17.235 0.480 -3.888 863 HG2 PRO 102 HG2 PRO 102 16.300 -0.218 -1.512 864 HG3 PRO 102 HG3 PRO 102 17.983 0.314 -1.704 865 HD2 PRO 102 HD2 PRO 102 15.656 1.783 -0.559 866 HD3 PRO 102 HD3 PRO 102 17.373 1.822 -0.086 867 H GLU 103 H GLU 103 17.533 3.242 -5.593 868 HA GLU 103 HA GLU 103 15.405 5.127 -5.885 869 HB2 GLU 103 HB2 GLU 103 17.768 4.938 -7.079 870 HB3 GLU 103 HB3 GLU 103 16.837 4.023 -8.257 871 HG2 GLU 103 HG2 GLU 103 15.442 5.873 -8.731 872 HG3 GLU 103 HG3 GLU 103 16.054 6.776 -7.346 873 H SER 104 H SER 104 13.784 5.018 -7.615 874 HA SER 104 HA SER 104 12.222 2.677 -7.426 875 HB2 SER 104 HB2 SER 104 11.893 4.744 -9.595 876 HB3 SER 104 HB3 SER 104 10.649 3.784 -8.796 877 HG SER 104 HG SER 104 12.204 5.842 -7.611 878 H SER 105 H SER 105 14.664 3.695 -9.674 879 HA SER 105 HA SER 105 13.946 1.757 -11.690 880 HB2 SER 105 HB2 SER 105 15.593 4.071 -11.568 881 HB3 SER 105 HB3 SER 105 16.618 2.716 -12.042 882 HG SER 105 HG SER 105 15.524 2.499 -13.863 883 H GLN 106 H GLN 106 15.410 1.543 -8.736 884 HA GLN 106 HA GLN 106 16.908 -0.863 -9.544 885 HB2 GLN 106 HB2 GLN 106 17.601 0.922 -7.220 886 HB3 GLN 106 HB3 GLN 106 18.529 -0.412 -7.818 887 HG2 GLN 106 HG2 GLN 106 18.668 0.958 -10.008 888 HG3 GLN 106 HG3 GLN 106 18.122 2.300 -9.004 889 HE21 GLN 106 HE21 GLN 106 20.379 -0.369 -8.415 890 HE22 GLN 106 HE22 GLN 106 21.725 0.630 -7.997 891 H ILE 107 H ILE 107 14.147 -0.035 -8.278 892 HA ILE 107 HA ILE 107 14.241 -1.692 -5.876 893 HB ILE 107 HB ILE 107 12.303 0.296 -6.970 894 HG12 ILE 107 HG12 ILE 107 13.047 -0.194 -4.100 895 HG13 ILE 107 HG13 ILE 107 14.146 0.656 -5.183 896 HG21 ILE 107 HG21 ILE 107 10.552 -0.431 -5.432 897 HG22 ILE 107 HG22 ILE 107 11.528 -1.832 -4.962 898 HG23 ILE 107 HG23 ILE 107 10.913 -1.686 -6.616 899 HD11 ILE 107 HD11 ILE 107 11.419 1.666 -5.225 900 HD12 ILE 107 HD12 ILE 107 12.966 2.514 -5.128 901 HD13 ILE 107 HD13 ILE 107 12.237 1.814 -3.665 902 HA PRO 108 HA PRO 108 12.997 -5.307 -8.232 903 HB2 PRO 108 HB2 PRO 108 12.059 -6.138 -5.529 904 HB3 PRO 108 HB3 PRO 108 13.073 -7.012 -6.685 905 HG2 PRO 108 HG2 PRO 108 14.166 -5.906 -4.544 906 HG3 PRO 108 HG3 PRO 108 14.989 -5.844 -6.116 907 HD2 PRO 108 HD2 PRO 108 13.496 -3.695 -4.684 908 HD3 PRO 108 HD3 PRO 108 14.962 -3.585 -5.679 909 H GLU 109 H GLU 109 11.009 -6.533 -8.586 910 HA GLU 109 HA GLU 109 8.598 -4.961 -7.941 911 HB2 GLU 109 HB2 GLU 109 7.706 -5.862 -10.150 912 HB3 GLU 109 HB3 GLU 109 8.961 -4.635 -10.255 913 HG2 GLU 109 HG2 GLU 109 10.608 -6.245 -10.817 914 HG3 GLU 109 HG3 GLU 109 9.522 -7.581 -10.434 915 H ASN 110 H ASN 110 10.042 -7.583 -6.974 916 HA ASN 110 HA ASN 110 8.408 -9.777 -7.426 917 HB2 ASN 110 HB2 ASN 110 10.653 -9.418 -6.013 918 HB3 ASN 110 HB3 ASN 110 9.501 -9.422 -4.681 919 HD21 ASN 110 HD21 ASN 110 11.355 -11.304 -6.729 920 HD22 ASN 110 HD22 ASN 110 10.643 -12.840 -6.386 921 H THR 111 H THR 111 6.365 -10.200 -6.954 922 HA THR 111 HA THR 111 4.897 -8.439 -5.173 923 HB THR 111 HB THR 111 3.212 -10.512 -6.137 924 HG1 THR 111 HG1 THR 111 5.059 -9.511 -8.051 925 HG21 THR 111 HG21 THR 111 2.615 -8.139 -5.709 926 HG22 THR 111 HG22 THR 111 2.101 -8.700 -7.300 927 HG23 THR 111 HG23 THR 111 3.531 -7.681 -7.144 928 HA PRO 112 HA PRO 112 5.590 -11.345 -1.791 929 HB2 PRO 112 HB2 PRO 112 3.526 -9.618 -0.534 930 HB3 PRO 112 HB3 PRO 112 5.117 -10.102 0.071 931 HG2 PRO 112 HG2 PRO 112 4.740 -7.638 -0.824 932 HG3 PRO 112 HG3 PRO 112 6.244 -8.514 -1.183 933 HD2 PRO 112 HD2 PRO 112 3.892 -8.012 -2.955 934 HD3 PRO 112 HD3 PRO 112 5.627 -7.973 -3.338 935 H THR 113 H THR 113 4.535 -13.179 -1.213 936 HA THR 113 HA THR 113 1.641 -13.347 -1.332 937 HB THR 113 HB THR 113 2.769 -15.628 -2.746 938 HG1 THR 113 HG1 THR 113 3.026 -14.284 -4.727 939 HG21 THR 113 HG21 THR 113 0.376 -15.114 -2.611 940 HG22 THR 113 HG22 THR 113 0.927 -15.152 -4.285 941 HG23 THR 113 HG23 THR 113 0.649 -13.607 -3.483 942 H ALA 114 H ALA 114 0.965 -14.505 0.347 943 HA ALA 114 HA ALA 114 2.743 -15.810 2.109 944 HB1 ALA 114 HB1 ALA 114 0.744 -16.501 3.325 945 HB2 ALA 114 HB2 ALA 114 -0.262 -16.024 1.957 946 HB3 ALA 114 HB3 ALA 114 0.643 -14.804 2.854 947 H ARG 115 H ARG 115 2.501 -18.100 2.821 948 HA ARG 115 HA ARG 115 2.627 -19.832 0.496 949 HB2 ARG 115 HB2 ARG 115 3.372 -21.547 2.186 950 HB3 ARG 115 HB3 ARG 115 4.401 -20.127 2.060 951 HG2 ARG 115 HG2 ARG 115 3.238 -19.193 4.056 952 HG3 ARG 115 HG3 ARG 115 2.391 -20.732 4.216 953 HD2 ARG 115 HD2 ARG 115 4.387 -20.559 5.670 954 HD3 ARG 115 HD3 ARG 115 4.467 -21.901 4.531 955 HE ARG 115 HE ARG 115 5.837 -19.349 4.001 956 HH11 ARG 115 HH11 ARG 115 5.866 -22.821 4.319 957 HH12 ARG 115 HH12 ARG 115 7.487 -22.990 3.734 958 HH21 ARG 115 HH21 ARG 115 7.971 -19.564 3.227 959 HH22 ARG 115 HH22 ARG 115 8.685 -21.138 3.115 960 H ARG 116 H ARG 116 1.277 -21.513 0.046 961 HA ARG 116 HA ARG 116 -1.160 -21.703 1.691 962 HB2 ARG 116 HB2 ARG 116 -0.721 -21.990 -1.273 963 HB3 ARG 116 HB3 ARG 116 -2.152 -22.646 -0.490 964 HG2 ARG 116 HG2 ARG 116 -2.663 -20.374 0.363 965 HG3 ARG 116 HG3 ARG 116 -1.300 -19.762 -0.575 966 HD2 ARG 116 HD2 ARG 116 -3.082 -21.415 -2.162 967 HD3 ARG 116 HD3 ARG 116 -3.912 -20.033 -1.448 968 HE ARG 116 HE ARG 116 -1.988 -19.985 -3.561 969 HH11 ARG 116 HH11 ARG 116 -3.291 -18.160 -0.894 970 HH12 ARG 116 HH12 ARG 116 -2.870 -16.622 -1.572 971 HH21 ARG 116 HH21 ARG 116 -1.429 -17.966 -4.462 972 HH22 ARG 116 HH22 ARG 116 -1.811 -16.513 -3.601 973 H ARG 117 H ARG 117 -2.070 -23.752 2.074 974 HA ARG 117 HA ARG 117 -0.128 -25.864 2.294 975 HB2 ARG 117 HB2 ARG 117 -3.073 -26.069 2.905 976 HB3 ARG 117 HB3 ARG 117 -1.760 -27.027 3.575 977 HG2 ARG 117 HG2 ARG 117 -0.924 -25.084 4.770 978 HG3 ARG 117 HG3 ARG 117 -2.201 -24.088 4.066 979 HD2 ARG 117 HD2 ARG 117 -2.996 -26.553 5.522 980 HD3 ARG 117 HD3 ARG 117 -2.430 -25.181 6.473 981 HE ARG 117 HE ARG 117 -4.318 -24.232 4.659 982 HH11 ARG 117 HH11 ARG 117 -4.175 -26.372 7.406 983 HH12 ARG 117 HH12 ARG 117 -5.811 -26.073 7.888 984 HH21 ARG 117 HH21 ARG 117 -6.472 -23.829 5.287 985 HH22 ARG 117 HH22 ARG 117 -7.117 -24.627 6.682 Start of MODEL 8 1 H5' DT 1 H5' DT 1 -10.439 -1.424 10.441 2 H5'' DT 1 H5'' DT 1 -11.930 -0.525 10.099 3 H4' DT 1 H4' DT 1 -11.724 -2.311 8.532 4 H3' DT 1 H3' DT 1 -13.935 -2.580 10.528 5 H2' DT 1 H2' DT 1 -14.485 -4.759 9.730 6 H2'' DT 1 H2'' DT 1 -13.665 -4.510 8.194 7 H1' DT 1 H1' DT 1 -11.867 -5.617 9.136 8 H3 DT 1 H3 DT 1 -13.535 -8.290 12.477 9 H71 DT 1 H71 DT 1 -10.625 -4.920 14.871 10 H72 DT 1 H72 DT 1 -11.928 -3.723 14.688 11 H73 DT 1 H73 DT 1 -12.214 -5.213 15.619 12 H6 DT 1 H6 DT 1 -11.611 -3.934 12.210 13 HO5' DT 1 HO5' DT 1 -12.928 -1.690 11.788 14 H5' DT 2 H5' DT 2 -13.155 2.155 7.352 15 H5'' DT 2 H5'' DT 2 -14.496 1.146 6.767 16 H4' DT 2 H4' DT 2 -13.041 1.079 4.999 17 H3' DT 2 H3' DT 2 -12.518 -1.334 6.704 18 H2' DT 2 H2' DT 2 -10.776 -1.990 5.179 19 H2'' DT 2 H2'' DT 2 -11.304 -0.856 3.946 20 H1' DT 2 H1' DT 2 -9.659 0.542 4.930 21 H3 DT 2 H3 DT 2 -8.701 0.198 9.857 22 H71 DT 2 H71 DT 2 -8.628 -4.299 7.850 23 H72 DT 2 H72 DT 2 -6.973 -3.791 8.264 24 H73 DT 2 H73 DT 2 -7.487 -3.849 6.561 25 H6 DT 2 H6 DT 2 -8.944 -2.099 5.700 26 H5' DT 3 H5' DT 3 -14.805 -4.446 1.968 27 H5'' DT 3 H5'' DT 3 -13.198 -4.233 2.690 28 H4' DT 3 H4' DT 3 -14.432 -2.918 0.417 29 H3' DT 3 H3' DT 3 -11.925 -3.982 0.936 30 H2' DT 3 H2' DT 3 -11.156 -2.054 2.188 31 H2'' DT 3 H2'' DT 3 -10.627 -1.662 0.557 32 H1' DT 3 H1' DT 3 -12.823 -0.543 0.098 33 H3 DT 3 H3 DT 3 -13.810 3.224 2.582 34 H71 DT 3 H71 DT 3 -9.848 2.122 5.001 35 H72 DT 3 H72 DT 3 -9.211 3.111 3.666 36 H73 DT 3 H73 DT 3 -8.886 1.361 3.709 37 H6 DT 3 H6 DT 3 -10.293 0.017 2.397 38 H5' DT 4 H5' DT 4 -14.744 -2.117 -2.844 39 H5'' DT 4 H5'' DT 4 -14.436 -2.581 -4.528 40 H4' DT 4 H4' DT 4 -13.731 -0.236 -3.672 41 H3' DT 4 H3' DT 4 -12.384 -1.997 -5.606 42 H2' DT 4 H2' DT 4 -10.221 -1.246 -5.175 43 H2'' DT 4 H2'' DT 4 -10.772 0.425 -5.179 44 H1' DT 4 H1' DT 4 -10.958 0.557 -2.915 45 H3 DT 4 H3 DT 4 -6.501 -1.041 -2.726 46 H71 DT 4 H71 DT 4 -9.550 -3.267 0.854 47 H72 DT 4 H72 DT 4 -9.586 -4.538 -0.391 48 H73 DT 4 H73 DT 4 -8.038 -4.055 0.342 49 H6 DT 4 H6 DT 4 -10.876 -2.344 -1.359 50 H5' DT 5 H5' DT 5 -13.205 -1.778 -9.098 51 H5'' DT 5 H5'' DT 5 -12.502 -3.068 -8.100 52 H4' DT 5 H4' DT 5 -11.467 -1.771 -10.576 53 H3' DT 5 H3' DT 5 -12.515 -4.202 -10.336 54 H2' DT 5 H2' DT 5 -11.127 -5.089 -8.608 55 H2'' DT 5 H2'' DT 5 -10.214 -5.604 -10.019 56 H1' DT 5 H1' DT 5 -8.618 -3.883 -9.813 57 H3 DT 5 H3 DT 5 -6.211 -4.563 -6.133 58 H71 DT 5 H71 DT 5 -10.655 -2.675 -4.232 59 H72 DT 5 H72 DT 5 -9.689 -3.835 -3.290 60 H73 DT 5 H73 DT 5 -11.068 -4.405 -4.261 61 H6 DT 5 H6 DT 5 -10.818 -3.576 -6.835 62 H5' DT 6 H5' DT 6 -9.167 -3.617 -12.994 63 H5'' DT 6 H5'' DT 6 -8.408 -4.565 -14.290 64 H4' DT 6 H4' DT 6 -7.345 -3.969 -11.804 65 H3' DT 6 H3' DT 6 -6.529 -5.813 -14.010 66 HO3' DT 6 HO3' DT 6 -6.062 -3.378 -13.322 67 H2' DT 6 H2' DT 6 -4.947 -6.905 -12.569 68 H2'' DT 6 H2'' DT 6 -5.029 -5.632 -11.359 69 H1' DT 6 H1' DT 6 -6.594 -7.096 -10.360 70 H3 DT 6 H3 DT 6 -6.150 -11.154 -12.655 71 H71 DT 6 H71 DT 6 -10.880 -8.747 -13.481 72 H72 DT 6 H72 DT 6 -10.614 -10.484 -13.763 73 H73 DT 6 H73 DT 6 -10.110 -9.296 -14.989 74 H6 DT 6 H6 DT 6 -9.091 -7.398 -12.656 75 H1 MET 1 H MET 1 10.806 -1.793 15.540 76 H1 MET 1 HT1 MET 1 10.492 -0.781 14.221 77 H2 MET 1 H2 MET 1 11.009 -2.371 13.964 78 HA MET 1 HA MET 1 8.990 -3.245 14.887 79 HB2 MET 1 HB2 MET 1 8.320 -0.324 15.270 80 HB3 MET 1 HB3 MET 1 7.135 -1.618 15.381 81 HG2 MET 1 HG2 MET 1 9.177 -2.430 17.061 82 HG3 MET 1 HG3 MET 1 9.059 -0.692 17.329 83 HE1 MET 1 HE1 MET 1 8.595 -2.266 19.801 84 HE2 MET 1 HE2 MET 1 8.160 -3.740 18.936 85 HE3 MET 1 HE3 MET 1 7.024 -3.019 20.075 86 H GLU 2 H GLU 2 10.262 -2.008 12.362 87 HA GLU 2 HA GLU 2 7.798 -1.997 10.750 88 HB2 GLU 2 HB2 GLU 2 9.343 -0.742 9.065 89 HB3 GLU 2 HB3 GLU 2 8.626 0.141 10.407 90 HG2 GLU 2 HG2 GLU 2 11.155 -0.977 11.185 91 HG3 GLU 2 HG3 GLU 2 11.327 -0.020 9.715 92 H GLU 3 H GLU 3 7.595 -3.531 9.252 93 HA GLU 3 HA GLU 3 9.854 -5.336 8.823 94 HB2 GLU 3 HB2 GLU 3 8.304 -6.973 8.162 95 HB3 GLU 3 HB3 GLU 3 7.533 -6.142 9.504 96 HG2 GLU 3 HG2 GLU 3 6.476 -4.698 7.581 97 HG3 GLU 3 HG3 GLU 3 6.845 -6.125 6.613 98 H LYS 4 H LYS 4 9.896 -6.371 6.552 99 HA LYS 4 HA LYS 4 10.083 -4.116 4.614 100 HB2 LYS 4 HB2 LYS 4 11.345 -5.959 3.303 101 HB3 LYS 4 HB3 LYS 4 12.133 -5.164 4.658 102 HG2 LYS 4 HG2 LYS 4 10.625 -7.643 5.231 103 HG3 LYS 4 HG3 LYS 4 12.138 -7.798 4.338 104 HD2 LYS 4 HD2 LYS 4 12.220 -6.044 6.707 105 HD3 LYS 4 HD3 LYS 4 11.971 -7.759 7.034 106 HE2 LYS 4 HE2 LYS 4 13.968 -7.889 5.222 107 HE3 LYS 4 HE3 LYS 4 14.338 -6.347 5.992 108 HZ1 LYS 4 HZ1 LYS 4 13.979 -8.939 7.397 109 HZ2 LYS 4 HZ2 LYS 4 14.334 -7.460 8.137 110 HZ3 LYS 4 HZ3 LYS 4 15.458 -8.176 7.095 111 H VAL 5 H VAL 5 9.736 -4.877 2.274 112 HA VAL 5 HA VAL 5 6.997 -5.651 2.032 113 HB VAL 5 HB VAL 5 9.084 -5.265 -0.124 114 HG11 VAL 5 HG11 VAL 5 7.272 -6.546 -1.012 115 HG12 VAL 5 HG12 VAL 5 7.099 -4.884 -1.584 116 HG13 VAL 5 HG13 VAL 5 6.084 -5.474 -0.268 117 HG21 VAL 5 HG21 VAL 5 7.013 -3.351 0.950 118 HG22 VAL 5 HG22 VAL 5 8.109 -3.043 -0.397 119 HG23 VAL 5 HG23 VAL 5 8.751 -3.258 1.231 120 H GLY 6 H GLY 6 10.095 -7.232 1.467 121 HA2 GLY 6 HA2 GLY 6 8.939 -9.553 0.230 122 HA3 GLY 6 HA3 GLY 6 10.604 -9.373 0.760 123 H ASN 7 H ASN 7 8.650 -8.537 3.304 124 HA ASN 7 HA ASN 7 8.561 -11.291 4.332 125 HB2 ASN 7 HB2 ASN 7 10.422 -9.653 5.193 126 HB3 ASN 7 HB3 ASN 7 9.112 -8.998 6.168 127 HD21 ASN 7 HD21 ASN 7 9.520 -9.685 8.142 128 HD22 ASN 7 HD22 ASN 7 9.808 -11.292 8.599 129 H LEU 8 H LEU 8 6.742 -8.720 3.463 130 HA LEU 8 HA LEU 8 4.947 -8.582 5.711 131 HB2 LEU 8 HB2 LEU 8 3.928 -6.876 4.614 132 HB3 LEU 8 HB3 LEU 8 5.460 -6.848 3.763 133 HG LEU 8 HG LEU 8 4.061 -8.587 2.214 134 HD11 LEU 8 HD11 LEU 8 1.899 -8.551 2.792 135 HD12 LEU 8 HD12 LEU 8 1.881 -6.912 2.046 136 HD13 LEU 8 HD13 LEU 8 2.129 -7.097 3.803 137 HD21 LEU 8 HD21 LEU 8 5.311 -6.791 1.303 138 HD22 LEU 8 HD22 LEU 8 4.255 -5.593 2.053 139 HD23 LEU 8 HD23 LEU 8 3.648 -6.605 0.742 140 H LYS 9 H LYS 9 2.746 -9.338 5.720 141 HA LYS 9 HA LYS 9 2.006 -11.293 3.753 142 HB2 LYS 9 HB2 LYS 9 1.370 -12.752 5.341 143 HB3 LYS 9 HB3 LYS 9 2.945 -12.285 5.746 144 HG2 LYS 9 HG2 LYS 9 2.245 -11.672 7.798 145 HG3 LYS 9 HG3 LYS 9 1.029 -10.658 7.060 146 HD2 LYS 9 HD2 LYS 9 -0.392 -12.072 8.135 147 HD3 LYS 9 HD3 LYS 9 -0.124 -13.053 6.692 148 HE2 LYS 9 HE2 LYS 9 0.574 -14.669 8.057 149 HE3 LYS 9 HE3 LYS 9 2.007 -13.684 8.348 150 HZ1 LYS 9 HZ1 LYS 9 0.872 -12.661 10.224 151 HZ2 LYS 9 HZ2 LYS 9 0.958 -14.340 10.416 152 HZ3 LYS 9 HZ3 LYS 9 -0.496 -13.617 9.945 153 HA PRO 10 HA PRO 10 -1.859 -9.157 3.827 154 HB2 PRO 10 HB2 PRO 10 -3.550 -11.025 2.894 155 HB3 PRO 10 HB3 PRO 10 -2.327 -10.273 1.898 156 HG2 PRO 10 HG2 PRO 10 -2.301 -12.945 3.221 157 HG3 PRO 10 HG3 PRO 10 -1.726 -12.512 1.600 158 HD2 PRO 10 HD2 PRO 10 -0.002 -12.771 3.753 159 HD3 PRO 10 HD3 PRO 10 0.284 -11.776 2.360 160 H ASN 11 H ASN 11 -4.054 -9.214 4.683 161 HA ASN 11 HA ASN 11 -5.652 -9.583 6.291 162 HB2 ASN 11 HB2 ASN 11 -4.319 -12.197 6.121 163 HB3 ASN 11 HB3 ASN 11 -5.115 -11.889 7.662 164 HD21 ASN 11 HD21 ASN 11 -5.577 -12.047 4.185 165 HD22 ASN 11 HD22 ASN 11 -7.297 -12.365 4.245 166 H MET 12 H MET 12 -3.009 -8.256 6.884 167 HA MET 12 HA MET 12 -2.945 -8.631 9.752 168 HB2 MET 12 HB2 MET 12 -0.996 -7.336 7.845 169 HB3 MET 12 HB3 MET 12 -0.843 -7.357 9.547 170 HG2 MET 12 HG2 MET 12 -1.173 -9.991 9.061 171 HG3 MET 12 HG3 MET 12 -0.335 -9.423 7.626 172 HE1 MET 12 HE1 MET 12 2.136 -8.710 7.503 173 HE2 MET 12 HE2 MET 12 3.072 -8.203 8.927 174 HE3 MET 12 HE3 MET 12 1.657 -7.279 8.425 175 H GLU 13 H GLU 13 -3.824 -7.147 11.036 176 HA GLU 13 HA GLU 13 -4.921 -4.735 9.879 177 HB2 GLU 13 HB2 GLU 13 -5.024 -5.147 12.811 178 HB3 GLU 13 HB3 GLU 13 -6.283 -4.628 11.700 179 HG2 GLU 13 HG2 GLU 13 -6.075 -7.138 10.882 180 HG3 GLU 13 HG3 GLU 13 -5.486 -7.359 12.529 181 H SER 14 H SER 14 -1.931 -5.306 10.448 182 HA SER 14 HA SER 14 -1.298 -2.593 11.174 183 HB2 SER 14 HB2 SER 14 0.362 -3.503 12.973 184 HB3 SER 14 HB3 SER 14 -1.330 -3.272 13.407 185 HG SER 14 HG SER 14 -0.118 -5.716 12.627 186 H VAL 15 H VAL 15 0.151 -2.060 9.681 187 HA VAL 15 HA VAL 15 2.386 -3.881 9.164 188 HB VAL 15 HB VAL 15 1.372 -2.490 6.765 189 HG11 VAL 15 HG11 VAL 15 2.053 -4.585 5.694 190 HG12 VAL 15 HG12 VAL 15 2.387 -5.284 7.279 191 HG13 VAL 15 HG13 VAL 15 3.340 -3.918 6.699 192 HG21 VAL 15 HG21 VAL 15 -0.538 -3.656 6.397 193 HG22 VAL 15 HG22 VAL 15 -0.597 -3.641 8.161 194 HG23 VAL 15 HG23 VAL 15 0.012 -5.061 7.309 195 H ASN 16 H ASN 16 4.107 -2.754 9.723 196 HA ASN 16 HA ASN 16 4.280 0.102 9.054 197 HB2 ASN 16 HB2 ASN 16 4.826 -1.278 11.405 198 HB3 ASN 16 HB3 ASN 16 6.365 -0.770 10.741 199 HD21 ASN 16 HD21 ASN 16 6.065 1.578 9.740 200 HD22 ASN 16 HD22 ASN 16 5.424 2.709 10.902 201 H VAL 17 H VAL 17 5.683 0.739 7.500 202 HA VAL 17 HA VAL 17 8.074 -0.791 6.971 203 HB VAL 17 HB VAL 17 6.696 -2.209 5.777 204 HG11 VAL 17 HG11 VAL 17 4.781 -0.448 5.865 205 HG12 VAL 17 HG12 VAL 17 4.785 -1.690 4.589 206 HG13 VAL 17 HG13 VAL 17 5.338 -0.058 4.223 207 HG21 VAL 17 HG21 VAL 17 8.601 -1.646 4.415 208 HG22 VAL 17 HG22 VAL 17 7.806 -0.183 3.835 209 HG23 VAL 17 HG23 VAL 17 7.203 -1.767 3.346 210 H THR 18 H THR 18 9.503 0.211 5.507 211 HA THR 18 HA THR 18 8.867 3.004 4.836 212 HB THR 18 HB THR 18 11.723 2.294 4.986 213 HG1 THR 18 HG1 THR 18 11.630 2.491 7.351 214 HG21 THR 18 HG21 THR 18 9.989 4.597 5.334 215 HG22 THR 18 HG22 THR 18 11.715 4.529 4.919 216 HG23 THR 18 HG23 THR 18 11.196 4.474 6.617 217 H VAL 19 H VAL 19 9.095 3.541 2.666 218 HA VAL 19 HA VAL 19 10.625 1.930 0.919 219 HB VAL 19 HB VAL 19 8.783 1.476 -0.666 220 HG11 VAL 19 HG11 VAL 19 9.426 -0.289 0.727 221 HG12 VAL 19 HG12 VAL 19 7.633 -0.190 0.518 222 HG13 VAL 19 HG13 VAL 19 8.446 0.397 2.081 223 HG21 VAL 19 HG21 VAL 19 7.161 3.103 -0.182 224 HG22 VAL 19 HG22 VAL 19 7.134 2.688 1.529 225 HG23 VAL 19 HG23 VAL 19 6.435 1.581 0.346 226 H ARG 20 H ARG 20 10.067 2.756 -1.452 227 HA ARG 20 HA ARG 20 9.945 5.642 -1.331 228 HB2 ARG 20 HB2 ARG 20 12.146 4.526 -1.948 229 HB3 ARG 20 HB3 ARG 20 11.404 4.072 -3.449 230 HG2 ARG 20 HG2 ARG 20 12.191 6.062 -4.211 231 HG3 ARG 20 HG3 ARG 20 10.917 6.807 -3.243 232 HD2 ARG 20 HD2 ARG 20 12.418 7.011 -1.360 233 HD3 ARG 20 HD3 ARG 20 13.684 6.156 -2.238 234 HE ARG 20 HE ARG 20 12.672 8.837 -2.928 235 HH11 ARG 20 HH11 ARG 20 15.190 6.422 -2.933 236 HH12 ARG 20 HH12 ARG 20 16.369 7.470 -3.644 237 HH21 ARG 20 HH21 ARG 20 14.221 10.222 -3.865 238 HH22 ARG 20 HH22 ARG 20 15.819 9.629 -4.174 239 H VAL 21 H VAL 21 8.920 6.766 -3.106 240 HA VAL 21 HA VAL 21 6.575 5.336 -4.055 241 HB VAL 21 HB VAL 21 7.584 8.109 -4.950 242 HG11 VAL 21 HG11 VAL 21 5.215 8.507 -5.395 243 HG12 VAL 21 HG12 VAL 21 4.872 6.830 -4.968 244 HG13 VAL 21 HG13 VAL 21 5.869 7.196 -6.377 245 HG21 VAL 21 HG21 VAL 21 6.191 9.031 -3.198 246 HG22 VAL 21 HG22 VAL 21 7.466 8.016 -2.523 247 HG23 VAL 21 HG23 VAL 21 5.816 7.402 -2.634 248 H LEU 22 H LEU 22 6.361 4.292 -5.898 249 HA LEU 22 HA LEU 22 8.441 4.460 -7.949 250 HB2 LEU 22 HB2 LEU 22 6.369 2.297 -7.617 251 HB3 LEU 22 HB3 LEU 22 7.796 2.260 -8.590 252 HG LEU 22 HG LEU 22 7.672 2.157 -5.606 253 HD11 LEU 22 HD11 LEU 22 8.836 0.159 -7.526 254 HD12 LEU 22 HD12 LEU 22 7.176 0.082 -6.939 255 HD13 LEU 22 HD13 LEU 22 8.519 -0.044 -5.803 256 HD21 LEU 22 HD21 LEU 22 10.174 2.081 -7.276 257 HD22 LEU 22 HD22 LEU 22 10.024 2.151 -5.522 258 HD23 LEU 22 HD23 LEU 22 9.577 3.546 -6.492 259 H GLU 23 H GLU 23 5.144 4.964 -7.240 260 HA GLU 23 HA GLU 23 4.721 6.354 -9.762 261 HB2 GLU 23 HB2 GLU 23 4.306 3.784 -10.113 262 HB3 GLU 23 HB3 GLU 23 2.786 4.119 -9.294 263 HG2 GLU 23 HG2 GLU 23 1.979 4.634 -11.296 264 HG3 GLU 23 HG3 GLU 23 2.935 6.110 -11.189 265 H ALA 24 H ALA 24 2.432 7.238 -9.874 266 HA ALA 24 HA ALA 24 0.900 7.281 -7.452 267 HB1 ALA 24 HB1 ALA 24 2.419 9.778 -8.221 268 HB2 ALA 24 HB2 ALA 24 2.719 8.776 -6.801 269 HB3 ALA 24 HB3 ALA 24 1.201 9.661 -6.952 270 H SER 25 H SER 25 -1.161 7.600 -7.973 271 HA SER 25 HA SER 25 -1.753 8.932 -10.541 272 HB2 SER 25 HB2 SER 25 -2.383 6.365 -9.883 273 HB3 SER 25 HB3 SER 25 -3.842 7.209 -9.362 274 HG SER 25 HG SER 25 -3.441 6.448 -11.730 275 H GLU 26 H GLU 26 -3.632 10.283 -10.641 276 HA GLU 26 HA GLU 26 -3.961 11.944 -8.395 277 HB2 GLU 26 HB2 GLU 26 -5.818 11.787 -10.769 278 HB3 GLU 26 HB3 GLU 26 -5.521 13.155 -9.724 279 HG2 GLU 26 HG2 GLU 26 -3.411 11.952 -11.473 280 HG3 GLU 26 HG3 GLU 26 -4.457 13.278 -11.981 281 H ALA 27 H ALA 27 -5.862 12.371 -7.217 282 HA ALA 27 HA ALA 27 -7.037 9.953 -6.278 283 HB1 ALA 27 HB1 ALA 27 -7.885 11.355 -4.495 284 HB2 ALA 27 HB2 ALA 27 -7.422 12.798 -5.400 285 HB3 ALA 27 HB3 ALA 27 -6.161 11.678 -4.818 286 H ARG 28 H ARG 28 -8.915 9.088 -6.687 287 HA ARG 28 HA ARG 28 -10.983 10.635 -8.101 288 HB2 ARG 28 HB2 ARG 28 -10.169 9.415 -9.879 289 HB3 ARG 28 HB3 ARG 28 -9.622 8.093 -8.864 290 HG2 ARG 28 HG2 ARG 28 -12.385 8.001 -8.659 291 HG3 ARG 28 HG3 ARG 28 -12.084 8.397 -10.351 292 HD2 ARG 28 HD2 ARG 28 -10.767 6.456 -10.668 293 HD3 ARG 28 HD3 ARG 28 -10.665 6.154 -8.933 294 HE ARG 28 HE ARG 28 -13.334 6.086 -10.061 295 HH11 ARG 28 HH11 ARG 28 -10.507 4.247 -9.154 296 HH12 ARG 28 HH12 ARG 28 -11.368 2.752 -9.021 297 HH21 ARG 28 HH21 ARG 28 -14.468 4.115 -9.880 298 HH22 ARG 28 HH22 ARG 28 -13.614 2.676 -9.428 299 H GLN 29 H GLN 29 -13.150 9.735 -7.933 300 HA GLN 29 HA GLN 29 -13.701 8.691 -5.288 301 HB2 GLN 29 HB2 GLN 29 -15.429 9.787 -7.498 302 HB3 GLN 29 HB3 GLN 29 -16.107 9.075 -6.042 303 HG2 GLN 29 HG2 GLN 29 -14.900 10.728 -4.703 304 HG3 GLN 29 HG3 GLN 29 -14.304 11.473 -6.185 305 HE21 GLN 29 HE21 GLN 29 -17.087 10.924 -4.169 306 HE22 GLN 29 HE22 GLN 29 -18.107 12.108 -4.906 307 H ILE 30 H ILE 30 -14.602 6.742 -4.814 308 HA ILE 30 HA ILE 30 -15.198 4.935 -7.063 309 HB ILE 30 HB ILE 30 -14.300 3.070 -5.889 310 HG12 ILE 30 HG12 ILE 30 -13.579 4.796 -3.538 311 HG13 ILE 30 HG13 ILE 30 -15.153 4.011 -3.655 312 HG21 ILE 30 HG21 ILE 30 -12.465 5.449 -5.761 313 HG22 ILE 30 HG22 ILE 30 -12.528 4.175 -6.982 314 HG23 ILE 30 HG23 ILE 30 -11.916 3.816 -5.359 315 HD11 ILE 30 HD11 ILE 30 -14.186 1.862 -3.574 316 HD12 ILE 30 HD12 ILE 30 -13.370 2.805 -2.327 317 HD13 ILE 30 HD13 ILE 30 -12.568 2.497 -3.867 318 H GLN 31 H GLN 31 -16.752 3.214 -6.464 319 HA GLN 31 HA GLN 31 -18.707 4.179 -4.495 320 HB2 GLN 31 HB2 GLN 31 -19.089 2.745 -7.118 321 HB3 GLN 31 HB3 GLN 31 -20.365 2.847 -5.913 322 HG2 GLN 31 HG2 GLN 31 -20.360 5.260 -6.064 323 HG3 GLN 31 HG3 GLN 31 -19.008 5.209 -7.194 324 HE21 GLN 31 HE21 GLN 31 -19.357 4.522 -9.307 325 HE22 GLN 31 HE22 GLN 31 -20.940 4.429 -9.993 326 H THR 32 H THR 32 -18.760 2.981 -2.721 327 HA THR 32 HA THR 32 -18.194 0.097 -2.932 328 HB THR 32 HB THR 32 -17.544 0.117 -0.599 329 HG1 THR 32 HG1 THR 32 -18.886 2.414 -0.565 330 HG21 THR 32 HG21 THR 32 -16.250 2.013 -2.500 331 HG22 THR 32 HG22 THR 32 -15.670 0.466 -1.888 332 HG23 THR 32 HG23 THR 32 -15.627 1.900 -0.852 333 H LYS 33 H LYS 33 -19.118 -0.880 -0.654 334 HA LYS 33 HA LYS 33 -21.968 -0.823 -1.048 335 HB2 LYS 33 HB2 LYS 33 -22.017 -2.654 0.566 336 HB3 LYS 33 HB3 LYS 33 -20.782 -2.940 -0.651 337 HG2 LYS 33 HG2 LYS 33 -19.038 -2.402 0.849 338 HG3 LYS 33 HG3 LYS 33 -20.167 -1.735 2.030 339 HD2 LYS 33 HD2 LYS 33 -21.164 -4.052 2.194 340 HD3 LYS 33 HD3 LYS 33 -19.784 -4.619 1.253 341 HE2 LYS 33 HE2 LYS 33 -18.258 -3.772 2.952 342 HE3 LYS 33 HE3 LYS 33 -19.621 -3.150 3.882 343 HZ1 LYS 33 HZ1 LYS 33 -19.021 -5.998 3.306 344 HZ2 LYS 33 HZ2 LYS 33 -20.429 -5.459 4.070 345 HZ3 LYS 33 HZ3 LYS 33 -18.925 -5.225 4.808 346 H ASN 34 H ASN 34 -19.796 0.935 0.774 347 HA ASN 34 HA ASN 34 -21.791 1.519 2.867 348 HB2 ASN 34 HB2 ASN 34 -18.791 1.878 2.849 349 HB3 ASN 34 HB3 ASN 34 -19.837 2.549 4.096 350 HD21 ASN 34 HD21 ASN 34 -20.899 1.153 5.520 351 HD22 ASN 34 HD22 ASN 34 -20.377 -0.478 5.748 352 H GLY 35 H GLY 35 -21.060 2.629 -0.026 353 HA2 GLY 35 HA2 GLY 35 -22.200 4.762 -0.580 354 HA3 GLY 35 HA3 GLY 35 -21.341 5.463 0.783 355 H VAL 36 H VAL 36 -20.434 7.066 -0.592 356 HA VAL 36 HA VAL 36 -18.427 6.001 -2.450 357 HB VAL 36 HB VAL 36 -20.065 7.352 -3.597 358 HG11 VAL 36 HG11 VAL 36 -20.349 9.730 -3.155 359 HG12 VAL 36 HG12 VAL 36 -19.224 9.629 -1.801 360 HG13 VAL 36 HG13 VAL 36 -20.767 8.779 -1.730 361 HG21 VAL 36 HG21 VAL 36 -17.432 8.801 -3.395 362 HG22 VAL 36 HG22 VAL 36 -18.586 8.908 -4.726 363 HG23 VAL 36 HG23 VAL 36 -17.762 7.383 -4.393 364 H ARG 37 H ARG 37 -16.388 6.546 -2.352 365 HA ARG 37 HA ARG 37 -15.377 8.401 -0.319 366 HB2 ARG 37 HB2 ARG 37 -13.651 6.782 0.125 367 HB3 ARG 37 HB3 ARG 37 -15.190 6.500 0.861 368 HG2 ARG 37 HG2 ARG 37 -14.645 5.158 -1.731 369 HG3 ARG 37 HG3 ARG 37 -13.890 4.512 -0.278 370 HD2 ARG 37 HD2 ARG 37 -16.766 5.185 -0.169 371 HD3 ARG 37 HD3 ARG 37 -16.290 3.741 -1.055 372 HE ARG 37 HE ARG 37 -15.183 3.022 1.065 373 HH11 ARG 37 HH11 ARG 37 -17.845 5.290 1.137 374 HH12 ARG 37 HH12 ARG 37 -18.316 4.876 2.750 375 HH21 ARG 37 HH21 ARG 37 -15.791 2.500 3.194 376 HH22 ARG 37 HH22 ARG 37 -17.152 3.290 3.917 377 H THR 38 H THR 38 -12.972 8.727 -0.610 378 HA THR 38 HA THR 38 -12.475 8.964 -3.509 379 HB THR 38 HB THR 38 -11.021 10.983 -2.679 380 HG1 THR 38 HG1 THR 38 -11.384 11.566 -0.695 381 HG21 THR 38 HG21 THR 38 -14.017 11.179 -2.903 382 HG22 THR 38 HG22 THR 38 -12.878 11.176 -4.251 383 HG23 THR 38 HG23 THR 38 -12.879 12.511 -3.098 384 H ILE 39 H ILE 39 -10.964 7.553 -3.963 385 HA ILE 39 HA ILE 39 -8.632 7.477 -2.176 386 HB ILE 39 HB ILE 39 -8.423 5.070 -2.757 387 HG12 ILE 39 HG12 ILE 39 -11.299 4.986 -3.415 388 HG13 ILE 39 HG13 ILE 39 -10.236 5.576 -4.694 389 HG21 ILE 39 HG21 ILE 39 -9.304 4.845 -0.748 390 HG22 ILE 39 HG22 ILE 39 -10.920 4.883 -1.453 391 HG23 ILE 39 HG23 ILE 39 -10.149 6.381 -0.932 392 HD11 ILE 39 HD11 ILE 39 -8.887 3.390 -3.909 393 HD12 ILE 39 HD12 ILE 39 -10.119 3.375 -5.166 394 HD13 ILE 39 HD13 ILE 39 -10.533 2.898 -3.519 395 H SER 40 H SER 40 -6.871 6.145 -3.335 396 HA SER 40 HA SER 40 -6.758 6.483 -6.188 397 HB2 SER 40 HB2 SER 40 -6.127 8.731 -5.183 398 HB3 SER 40 HB3 SER 40 -4.699 7.921 -4.517 399 HG SER 40 HG SER 40 -5.127 8.826 -7.006 400 H GLU 41 H GLU 41 -4.596 5.743 -6.999 401 HA GLU 41 HA GLU 41 -3.532 3.704 -5.203 402 HB2 GLU 41 HB2 GLU 41 -5.059 3.080 -7.252 403 HB3 GLU 41 HB3 GLU 41 -3.588 3.355 -8.169 404 HG2 GLU 41 HG2 GLU 41 -2.877 1.699 -6.015 405 HG3 GLU 41 HG3 GLU 41 -4.394 1.067 -6.646 406 H ALA 42 H ALA 42 -1.350 3.419 -5.154 407 HA ALA 42 HA ALA 42 0.346 4.864 -7.032 408 HB1 ALA 42 HB1 ALA 42 -0.156 6.504 -5.280 409 HB2 ALA 42 HB2 ALA 42 1.549 6.057 -5.298 410 HB3 ALA 42 HB3 ALA 42 0.476 5.394 -4.065 411 H ILE 43 H ILE 43 2.106 3.696 -7.481 412 HA ILE 43 HA ILE 43 2.572 1.236 -6.043 413 HB ILE 43 HB ILE 43 4.101 2.353 -8.394 414 HG12 ILE 43 HG12 ILE 43 1.812 2.143 -9.067 415 HG13 ILE 43 HG13 ILE 43 2.682 0.765 -9.730 416 HG21 ILE 43 HG21 ILE 43 4.906 0.141 -8.758 417 HG22 ILE 43 HG22 ILE 43 3.863 -0.511 -7.494 418 HG23 ILE 43 HG23 ILE 43 5.209 0.546 -7.069 419 HD11 ILE 43 HD11 ILE 43 1.855 -0.563 -7.762 420 HD12 ILE 43 HD12 ILE 43 0.622 -0.043 -8.912 421 HD13 ILE 43 HD13 ILE 43 0.816 0.812 -7.382 422 H VAL 44 H VAL 44 3.998 0.940 -4.537 423 HA VAL 44 HA VAL 44 6.424 2.573 -4.236 424 HB VAL 44 HB VAL 44 6.077 1.555 -1.641 425 HG11 VAL 44 HG11 VAL 44 5.172 4.025 -3.008 426 HG12 VAL 44 HG12 VAL 44 5.668 3.827 -1.320 427 HG13 VAL 44 HG13 VAL 44 3.978 3.499 -1.810 428 HG21 VAL 44 HG21 VAL 44 4.099 0.383 -2.571 429 HG22 VAL 44 HG22 VAL 44 3.408 1.981 -2.916 430 HG23 VAL 44 HG23 VAL 44 3.714 1.495 -1.242 431 H GLY 45 H GLY 45 7.977 1.469 -2.983 432 HA2 GLY 45 HA2 GLY 45 7.926 -1.145 -2.158 433 HA3 GLY 45 HA3 GLY 45 8.507 -1.236 -3.813 434 H ASP 46 H ASP 46 10.123 -2.190 -1.921 435 HA ASP 46 HA ASP 46 12.230 -0.142 -1.728 436 HB2 ASP 46 HB2 ASP 46 12.958 -1.218 0.398 437 HB3 ASP 46 HB3 ASP 46 11.363 -0.487 0.507 438 H GLU 47 H GLU 47 14.228 -1.780 -0.748 439 HA GLU 47 HA GLU 47 15.023 -3.154 -3.112 440 HB2 GLU 47 HB2 GLU 47 17.047 -3.772 -1.702 441 HB3 GLU 47 HB3 GLU 47 16.759 -2.057 -1.951 442 HG2 GLU 47 HG2 GLU 47 16.531 -1.678 0.228 443 HG3 GLU 47 HG3 GLU 47 15.449 -3.054 0.435 444 H THR 48 H THR 48 12.949 -4.110 -0.751 445 HA THR 48 HA THR 48 13.849 -6.908 -0.804 446 HB THR 48 HB THR 48 12.643 -7.282 1.147 447 HG1 THR 48 HG1 THR 48 10.835 -5.758 0.084 448 HG21 THR 48 HG21 THR 48 14.551 -5.550 1.299 449 HG22 THR 48 HG22 THR 48 13.477 -5.745 2.683 450 HG23 THR 48 HG23 THR 48 13.257 -4.385 1.581 451 H GLY 49 H GLY 49 11.915 -5.005 -2.648 452 HA2 GLY 49 HA2 GLY 49 10.766 -6.691 -4.270 453 HA3 GLY 49 HA3 GLY 49 9.734 -6.937 -2.870 454 H ARG 50 H ARG 50 7.900 -6.189 -3.872 455 HA ARG 50 HA ARG 50 7.573 -3.350 -3.927 456 HB2 ARG 50 HB2 ARG 50 8.415 -3.707 -6.173 457 HB3 ARG 50 HB3 ARG 50 7.260 -5.011 -6.429 458 HG2 ARG 50 HG2 ARG 50 5.542 -3.103 -5.828 459 HG3 ARG 50 HG3 ARG 50 6.854 -2.090 -6.425 460 HD2 ARG 50 HD2 ARG 50 5.902 -4.478 -7.970 461 HD3 ARG 50 HD3 ARG 50 5.062 -2.937 -8.080 462 HE ARG 50 HE ARG 50 7.919 -2.898 -8.573 463 HH11 ARG 50 HH11 ARG 50 4.702 -2.946 -9.912 464 HH12 ARG 50 HH12 ARG 50 5.207 -2.392 -11.474 465 HH21 ARG 50 HH21 ARG 50 8.592 -2.165 -10.621 466 HH22 ARG 50 HH22 ARG 50 7.419 -1.950 -11.877 467 H VAL 51 H VAL 51 5.493 -2.785 -3.675 468 HA VAL 51 HA VAL 51 3.360 -4.726 -3.850 469 HB VAL 51 HB VAL 51 4.109 -5.122 -1.604 470 HG11 VAL 51 HG11 VAL 51 3.892 -2.145 -1.164 471 HG12 VAL 51 HG12 VAL 51 5.388 -3.075 -1.252 472 HG13 VAL 51 HG13 VAL 51 4.259 -3.344 0.075 473 HG21 VAL 51 HG21 VAL 51 1.686 -3.357 -1.647 474 HG22 VAL 51 HG22 VAL 51 2.122 -4.437 -0.322 475 HG23 VAL 51 HG23 VAL 51 1.725 -5.099 -1.910 476 H LYS 52 H LYS 52 1.459 -3.812 -4.430 477 HA LYS 52 HA LYS 52 1.348 -1.097 -5.196 478 HB2 LYS 52 HB2 LYS 52 -1.131 -2.729 -4.791 479 HB3 LYS 52 HB3 LYS 52 -0.774 -1.566 -6.060 480 HG2 LYS 52 HG2 LYS 52 1.046 -3.829 -6.120 481 HG3 LYS 52 HG3 LYS 52 -0.640 -4.331 -6.241 482 HD2 LYS 52 HD2 LYS 52 -0.992 -2.961 -8.155 483 HD3 LYS 52 HD3 LYS 52 0.573 -2.169 -7.951 484 HE2 LYS 52 HE2 LYS 52 0.671 -3.803 -9.750 485 HE3 LYS 52 HE3 LYS 52 1.703 -4.302 -8.410 486 HZ1 LYS 52 HZ1 LYS 52 -0.036 -5.821 -7.686 487 HZ2 LYS 52 HZ2 LYS 52 0.409 -6.154 -9.283 488 HZ3 LYS 52 HZ3 LYS 52 -1.033 -5.332 -8.963 489 H LEU 53 H LEU 53 0.663 0.704 -4.137 490 HA LEU 53 HA LEU 53 -0.407 0.378 -1.421 491 HB2 LEU 53 HB2 LEU 53 1.754 1.677 -1.903 492 HB3 LEU 53 HB3 LEU 53 0.722 2.916 -2.580 493 HG LEU 53 HG LEU 53 1.535 3.231 -0.181 494 HD11 LEU 53 HD11 LEU 53 -0.258 4.571 -1.154 495 HD12 LEU 53 HD12 LEU 53 -0.550 4.236 0.552 496 HD13 LEU 53 HD13 LEU 53 -1.433 3.341 -0.685 497 HD21 LEU 53 HD21 LEU 53 0.304 2.126 1.568 498 HD22 LEU 53 HD22 LEU 53 1.103 0.926 0.551 499 HD23 LEU 53 HD23 LEU 53 -0.630 1.217 0.380 500 H THR 54 H THR 54 -2.269 1.271 -0.826 501 HA THR 54 HA THR 54 -3.852 2.746 -2.783 502 HB THR 54 HB THR 54 -5.261 0.911 -0.886 503 HG1 THR 54 HG1 THR 54 -3.881 0.209 -3.256 504 HG21 THR 54 HG21 THR 54 -6.124 1.434 -3.658 505 HG22 THR 54 HG22 THR 54 -6.065 2.830 -2.590 506 HG23 THR 54 HG23 THR 54 -7.061 1.440 -2.165 507 H LEU 55 H LEU 55 -4.063 4.657 -1.984 508 HA LEU 55 HA LEU 55 -4.083 5.248 0.815 509 HB2 LEU 55 HB2 LEU 55 -4.775 7.151 -1.350 510 HB3 LEU 55 HB3 LEU 55 -3.878 7.438 0.109 511 HG LEU 55 HG LEU 55 -2.458 5.542 -1.486 512 HD11 LEU 55 HD11 LEU 55 -1.945 7.527 -3.194 513 HD12 LEU 55 HD12 LEU 55 -3.654 7.798 -2.884 514 HD13 LEU 55 HD13 LEU 55 -3.118 6.246 -3.505 515 HD21 LEU 55 HD21 LEU 55 -1.498 6.982 0.260 516 HD22 LEU 55 HD22 LEU 55 -1.782 8.382 -0.777 517 HD23 LEU 55 HD23 LEU 55 -0.660 7.121 -1.286 518 H TRP 56 H TRP 56 -5.864 6.448 1.857 519 HA TRP 56 HA TRP 56 -8.455 5.996 0.557 520 HB2 TRP 56 HB2 TRP 56 -7.545 5.082 3.239 521 HB3 TRP 56 HB3 TRP 56 -9.254 5.372 2.957 522 HD1 TRP 56 HD1 TRP 56 -6.446 2.950 2.180 523 HE1 TRP 56 HE1 TRP 56 -7.349 0.948 0.862 524 HE3 TRP 56 HE3 TRP 56 -11.196 4.670 1.248 525 HZ2 TRP 56 HZ2 TRP 56 -9.796 0.192 -0.390 526 HZ3 TRP 56 HZ3 TRP 56 -12.723 3.243 -0.031 527 HH2 TRP 56 HH2 TRP 56 -12.043 1.060 -0.831 528 H GLY 57 H GLY 57 -9.657 7.660 0.411 529 HA2 GLY 57 HA2 GLY 57 -10.787 9.581 0.843 530 HA3 GLY 57 HA3 GLY 57 -10.298 9.454 2.506 531 H LYS 58 H LYS 58 -8.520 10.718 3.227 532 HA LYS 58 HA LYS 58 -7.882 12.923 1.471 533 HB2 LYS 58 HB2 LYS 58 -6.468 13.594 3.602 534 HB3 LYS 58 HB3 LYS 58 -8.208 13.819 3.538 535 HG2 LYS 58 HG2 LYS 58 -7.780 12.896 5.641 536 HG3 LYS 58 HG3 LYS 58 -8.389 11.554 4.674 537 HD2 LYS 58 HD2 LYS 58 -5.742 11.340 4.195 538 HD3 LYS 58 HD3 LYS 58 -5.715 12.005 5.829 539 HE2 LYS 58 HE2 LYS 58 -7.447 9.667 5.108 540 HE3 LYS 58 HE3 LYS 58 -5.753 9.461 5.553 541 HZ1 LYS 58 HZ1 LYS 58 -7.166 9.193 7.477 542 HZ2 LYS 58 HZ2 LYS 58 -7.876 10.707 7.223 543 HZ3 LYS 58 HZ3 LYS 58 -6.245 10.601 7.657 544 H HIS 59 H HIS 59 -6.278 10.027 2.521 545 HA HIS 59 HA HIS 59 -3.623 10.830 1.922 546 HB2 HIS 59 HB2 HIS 59 -5.004 8.190 2.317 547 HB3 HIS 59 HB3 HIS 59 -3.362 8.248 1.693 548 HD2 HIS 59 HD2 HIS 59 -4.802 7.607 4.975 549 HE1 HIS 59 HE1 HIS 59 -1.379 9.980 5.811 550 HE2 HIS 59 HE2 HIS 59 -3.137 8.434 6.744 551 H ALA 60 H ALA 60 -6.338 9.872 0.062 552 HA ALA 60 HA ALA 60 -5.187 8.778 -2.208 553 HB1 ALA 60 HB1 ALA 60 -7.269 8.803 -3.018 554 HB2 ALA 60 HB2 ALA 60 -7.449 10.537 -2.754 555 HB3 ALA 60 HB3 ALA 60 -7.721 9.412 -1.423 556 H GLY 61 H GLY 61 -3.873 9.552 -3.719 557 HA2 GLY 61 HA2 GLY 61 -2.676 11.013 -4.998 558 HA3 GLY 61 HA3 GLY 61 -4.088 12.005 -4.959 559 H SER 62 H SER 62 -3.045 11.514 -1.826 560 HA SER 62 HA SER 62 -2.117 14.250 -1.663 561 HB2 SER 62 HB2 SER 62 -3.577 13.633 0.095 562 HB3 SER 62 HB3 SER 62 -2.701 12.117 0.392 563 HG SER 62 HG SER 62 -1.260 13.168 1.543 564 H ILE 63 H ILE 63 -0.709 11.146 -1.930 565 HA ILE 63 HA ILE 63 1.748 11.750 -0.594 566 HB ILE 63 HB ILE 63 2.600 9.689 -1.856 567 HG12 ILE 63 HG12 ILE 63 0.043 8.550 -2.338 568 HG13 ILE 63 HG13 ILE 63 0.081 10.095 -3.177 569 HG21 ILE 63 HG21 ILE 63 1.435 8.187 -0.343 570 HG22 ILE 63 HG22 ILE 63 0.153 9.372 -0.092 571 HG23 ILE 63 HG23 ILE 63 1.786 9.705 0.484 572 HD11 ILE 63 HD11 ILE 63 0.831 8.371 -4.658 573 HD12 ILE 63 HD12 ILE 63 2.031 7.827 -3.485 574 HD13 ILE 63 HD13 ILE 63 2.198 9.408 -4.249 575 H LYS 64 H LYS 64 3.862 11.399 -1.863 576 HA LYS 64 HA LYS 64 3.827 13.278 -4.110 577 HB2 LYS 64 HB2 LYS 64 5.664 12.747 -1.873 578 HB3 LYS 64 HB3 LYS 64 6.450 13.000 -3.426 579 HG2 LYS 64 HG2 LYS 64 5.123 15.121 -3.640 580 HG3 LYS 64 HG3 LYS 64 4.623 14.885 -1.963 581 HD2 LYS 64 HD2 LYS 64 7.243 14.619 -1.619 582 HD3 LYS 64 HD3 LYS 64 7.282 15.616 -3.076 583 HE2 LYS 64 HE2 LYS 64 6.076 17.361 -2.018 584 HE3 LYS 64 HE3 LYS 64 5.660 16.336 -0.646 585 HZ1 LYS 64 HZ1 LYS 64 7.432 17.882 -0.095 586 HZ2 LYS 64 HZ2 LYS 64 8.396 17.261 -1.339 587 HZ3 LYS 64 HZ3 LYS 64 7.990 16.286 -0.018 588 H GLU 65 H GLU 65 6.078 12.822 -5.374 589 HA GLU 65 HA GLU 65 5.712 10.254 -6.655 590 HB2 GLU 65 HB2 GLU 65 6.667 12.870 -7.429 591 HB3 GLU 65 HB3 GLU 65 7.870 11.649 -7.816 592 HG2 GLU 65 HG2 GLU 65 6.442 10.523 -9.278 593 HG3 GLU 65 HG3 GLU 65 5.021 11.291 -8.556 594 H GLY 66 H GLY 66 8.188 9.572 -7.531 595 HA2 GLY 66 HA2 GLY 66 9.216 7.958 -5.622 596 HA3 GLY 66 HA3 GLY 66 10.205 8.647 -6.889 597 H GLN 67 H GLN 67 9.111 8.977 -3.593 598 HA GLN 67 HA GLN 67 11.537 10.434 -2.862 599 HB2 GLN 67 HB2 GLN 67 10.268 11.941 -1.424 600 HB3 GLN 67 HB3 GLN 67 9.731 12.125 -3.087 601 HG2 GLN 67 HG2 GLN 67 7.676 11.939 -2.298 602 HG3 GLN 67 HG3 GLN 67 8.024 10.220 -2.136 603 HE21 GLN 67 HE21 GLN 67 8.684 9.427 -0.105 604 HE22 GLN 67 HE22 GLN 67 8.280 10.261 1.353 605 H VAL 68 H VAL 68 11.901 10.227 -0.410 606 HA VAL 68 HA VAL 68 11.384 7.519 0.307 607 HB VAL 68 HB VAL 68 12.742 9.541 2.061 608 HG11 VAL 68 HG11 VAL 68 12.697 6.620 1.717 609 HG12 VAL 68 HG12 VAL 68 12.422 7.554 3.181 610 HG13 VAL 68 HG13 VAL 68 14.059 7.373 2.544 611 HG21 VAL 68 HG21 VAL 68 14.839 8.932 1.011 612 HG22 VAL 68 HG22 VAL 68 13.733 9.713 -0.132 613 HG23 VAL 68 HG23 VAL 68 13.920 7.932 -0.138 614 H VAL 69 H VAL 69 9.572 6.963 1.274 615 HA VAL 69 HA VAL 69 8.347 8.842 3.186 616 HB VAL 69 HB VAL 69 6.378 6.981 2.491 617 HG11 VAL 69 HG11 VAL 69 5.166 8.874 1.687 618 HG12 VAL 69 HG12 VAL 69 6.655 9.795 1.456 619 HG13 VAL 69 HG13 VAL 69 6.120 9.372 3.085 620 HG21 VAL 69 HG21 VAL 69 8.191 7.296 0.296 621 HG22 VAL 69 HG22 VAL 69 6.628 7.995 -0.119 622 HG23 VAL 69 HG23 VAL 69 6.732 6.314 0.401 623 H LYS 70 H LYS 70 6.734 7.494 4.642 624 HA LYS 70 HA LYS 70 7.953 4.962 5.439 625 HB2 LYS 70 HB2 LYS 70 8.935 6.898 6.772 626 HB3 LYS 70 HB3 LYS 70 7.334 7.109 7.467 627 HG2 LYS 70 HG2 LYS 70 7.868 4.406 7.786 628 HG3 LYS 70 HG3 LYS 70 9.400 5.209 8.136 629 HD2 LYS 70 HD2 LYS 70 8.110 6.752 9.658 630 HD3 LYS 70 HD3 LYS 70 6.726 5.679 9.441 631 HE2 LYS 70 HE2 LYS 70 8.073 3.806 10.300 632 HE3 LYS 70 HE3 LYS 70 9.418 4.914 10.564 633 HZ1 LYS 70 HZ1 LYS 70 8.179 4.531 12.598 634 HZ2 LYS 70 HZ2 LYS 70 6.755 5.085 11.871 635 HZ3 LYS 70 HZ3 LYS 70 8.044 6.149 12.124 636 H ILE 71 H ILE 71 6.289 3.620 5.189 637 HA ILE 71 HA ILE 71 3.573 4.444 5.611 638 HB ILE 71 HB ILE 71 4.667 1.666 5.168 639 HG12 ILE 71 HG12 ILE 71 5.109 3.469 3.390 640 HG13 ILE 71 HG13 ILE 71 4.346 1.968 2.861 641 HG21 ILE 71 HG21 ILE 71 1.899 2.800 5.242 642 HG22 ILE 71 HG22 ILE 71 2.530 1.351 6.024 643 HG23 ILE 71 HG23 ILE 71 2.258 1.366 4.281 644 HD11 ILE 71 HD11 ILE 71 3.417 4.128 1.925 645 HD12 ILE 71 HD12 ILE 71 2.799 4.461 3.544 646 HD13 ILE 71 HD13 ILE 71 2.236 3.043 2.659 647 H GLU 72 H GLU 72 2.161 3.823 7.304 648 HA GLU 72 HA GLU 72 3.505 2.735 9.621 649 HB2 GLU 72 HB2 GLU 72 2.436 5.202 9.419 650 HB3 GLU 72 HB3 GLU 72 1.060 4.348 10.012 651 HG2 GLU 72 HG2 GLU 72 3.456 3.683 11.473 652 HG3 GLU 72 HG3 GLU 72 3.147 5.418 11.489 653 H ASN 73 H ASN 73 1.619 2.182 11.151 654 HA ASN 73 HA ASN 73 0.558 -0.262 10.500 655 HB2 ASN 73 HB2 ASN 73 0.602 1.339 12.692 656 HB3 ASN 73 HB3 ASN 73 -1.062 1.391 12.210 657 HD21 ASN 73 HD21 ASN 73 -2.334 -0.216 13.006 658 HD22 ASN 73 HD22 ASN 73 -1.782 -1.728 13.632 659 H ALA 74 H ALA 74 -0.530 -0.521 8.650 660 HA ALA 74 HA ALA 74 -3.135 0.843 8.445 661 HB1 ALA 74 HB1 ALA 74 -1.817 1.674 6.668 662 HB2 ALA 74 HB2 ALA 74 -2.874 0.453 5.958 663 HB3 ALA 74 HB3 ALA 74 -1.184 0.072 6.293 664 H TRP 75 H TRP 75 -2.267 -1.553 6.155 665 HA TRP 75 HA TRP 75 -2.896 -3.951 7.413 666 HB2 TRP 75 HB2 TRP 75 -5.217 -4.308 6.557 667 HB3 TRP 75 HB3 TRP 75 -5.101 -3.150 7.875 668 HD1 TRP 75 HD1 TRP 75 -5.691 -3.252 4.059 669 HE1 TRP 75 HE1 TRP 75 -6.968 -1.134 3.420 670 HE3 TRP 75 HE3 TRP 75 -5.608 -0.804 8.511 671 HZ2 TRP 75 HZ2 TRP 75 -7.808 1.193 4.571 672 HZ3 TRP 75 HZ3 TRP 75 -6.682 1.408 8.662 673 HH2 TRP 75 HH2 TRP 75 -7.779 2.408 6.699 674 H THR 76 H THR 76 -3.713 -5.589 5.827 675 HA THR 76 HA THR 76 -2.749 -4.986 3.125 676 HB THR 76 HB THR 76 -1.867 -7.411 3.146 677 HG1 THR 76 HG1 THR 76 -1.023 -7.780 5.428 678 HG21 THR 76 HG21 THR 76 0.305 -6.617 4.197 679 HG22 THR 76 HG22 THR 76 -0.526 -5.093 4.512 680 HG23 THR 76 HG23 THR 76 -0.325 -5.665 2.853 681 H THR 77 H THR 77 -3.977 -5.762 1.563 682 HA THR 77 HA THR 77 -6.048 -7.730 2.256 683 HB THR 77 HB THR 77 -7.673 -6.533 0.929 684 HG1 THR 77 HG1 THR 77 -6.638 -5.563 -0.706 685 HG21 THR 77 HG21 THR 77 -7.510 -5.728 3.222 686 HG22 THR 77 HG22 THR 77 -7.816 -4.359 2.157 687 HG23 THR 77 HG23 THR 77 -6.194 -4.640 2.784 688 H ALA 78 H ALA 78 -6.145 -9.429 0.856 689 HA ALA 78 HA ALA 78 -4.231 -9.413 -1.330 690 HB1 ALA 78 HB1 ALA 78 -4.260 -11.306 0.209 691 HB2 ALA 78 HB2 ALA 78 -4.608 -11.810 -1.446 692 HB3 ALA 78 HB3 ALA 78 -5.917 -11.673 -0.272 693 H PHE 79 H PHE 79 -4.961 -8.468 -3.146 694 HA PHE 79 HA PHE 79 -7.636 -9.046 -4.073 695 HB2 PHE 79 HB2 PHE 79 -6.491 -6.686 -3.954 696 HB3 PHE 79 HB3 PHE 79 -5.735 -7.205 -5.475 697 HD1 PHE 79 HD1 PHE 79 -8.953 -6.736 -3.782 698 HD2 PHE 79 HD2 PHE 79 -6.932 -7.189 -7.473 699 HE1 PHE 79 HE1 PHE 79 -11.014 -6.251 -4.960 700 HE2 PHE 79 HE2 PHE 79 -8.993 -6.682 -8.666 701 HZ PHE 79 HZ PHE 79 -11.064 -6.207 -7.418 702 H LYS 80 H LYS 80 -7.953 -10.575 -5.514 703 HA LYS 80 HA LYS 80 -7.690 -12.064 -7.191 704 HB2 LYS 80 HB2 LYS 80 -5.492 -10.225 -8.137 705 HB3 LYS 80 HB3 LYS 80 -6.308 -11.452 -9.099 706 HG2 LYS 80 HG2 LYS 80 -7.715 -9.125 -7.833 707 HG3 LYS 80 HG3 LYS 80 -7.063 -9.092 -9.468 708 HD2 LYS 80 HD2 LYS 80 -8.533 -10.913 -10.115 709 HD3 LYS 80 HD3 LYS 80 -9.129 -11.047 -8.457 710 HE2 LYS 80 HE2 LYS 80 -10.007 -8.770 -8.589 711 HE3 LYS 80 HE3 LYS 80 -9.412 -8.634 -10.240 712 HZ1 LYS 80 HZ1 LYS 80 -11.743 -9.151 -10.252 713 HZ2 LYS 80 HZ2 LYS 80 -11.498 -10.514 -9.281 714 HZ3 LYS 80 HZ3 LYS 80 -10.882 -10.477 -10.856 715 H GLY 81 H GLY 81 -5.863 -12.116 -4.693 716 HA2 GLY 81 HA2 GLY 81 -4.744 -14.137 -4.061 717 HA3 GLY 81 HA3 GLY 81 -4.220 -14.330 -5.724 718 H GLN 82 H GLN 82 -3.649 -11.215 -5.387 719 HA GLN 82 HA GLN 82 -0.931 -11.667 -4.370 720 HB2 GLN 82 HB2 GLN 82 -1.132 -9.072 -5.463 721 HB3 GLN 82 HB3 GLN 82 -0.233 -10.438 -6.100 722 HG2 GLN 82 HG2 GLN 82 -1.623 -10.642 -7.818 723 HG3 GLN 82 HG3 GLN 82 -3.038 -10.612 -6.769 724 HE21 GLN 82 HE21 GLN 82 -2.504 -8.033 -5.638 725 HE22 GLN 82 HE22 GLN 82 -2.826 -6.860 -6.863 726 H VAL 83 H VAL 83 -0.145 -10.502 -2.654 727 HA VAL 83 HA VAL 83 -2.074 -9.326 -0.917 728 HB VAL 83 HB VAL 83 0.907 -8.982 -0.603 729 HG11 VAL 83 HG11 VAL 83 -0.034 -9.455 1.854 730 HG12 VAL 83 HG12 VAL 83 -1.458 -8.715 1.121 731 HG13 VAL 83 HG13 VAL 83 0.074 -7.845 1.145 732 HG21 VAL 83 HG21 VAL 83 0.493 -11.338 -1.110 733 HG22 VAL 83 HG22 VAL 83 -0.701 -11.403 0.185 734 HG23 VAL 83 HG23 VAL 83 0.997 -11.115 0.564 735 H GLN 84 H GLN 84 -2.114 -7.115 -0.152 736 HA GLN 84 HA GLN 84 -0.778 -5.155 -1.852 737 HB2 GLN 84 HB2 GLN 84 -3.375 -5.884 -2.418 738 HB3 GLN 84 HB3 GLN 84 -3.592 -4.471 -1.400 739 HG2 GLN 84 HG2 GLN 84 -2.359 -3.097 -2.881 740 HG3 GLN 84 HG3 GLN 84 -1.778 -4.492 -3.790 741 HE21 GLN 84 HE21 GLN 84 -4.457 -2.377 -3.169 742 HE22 GLN 84 HE22 GLN 84 -5.428 -2.873 -4.539 743 H LEU 85 H LEU 85 -1.222 -2.892 -0.990 744 HA LEU 85 HA LEU 85 -1.529 -2.953 1.935 745 HB2 LEU 85 HB2 LEU 85 0.855 -2.732 0.685 746 HB3 LEU 85 HB3 LEU 85 0.416 -1.043 0.817 747 HG LEU 85 HG LEU 85 0.011 -2.382 3.342 748 HD11 LEU 85 HD11 LEU 85 2.382 -2.837 3.831 749 HD12 LEU 85 HD12 LEU 85 2.771 -2.565 2.131 750 HD13 LEU 85 HD13 LEU 85 1.737 -3.916 2.594 751 HD21 LEU 85 HD21 LEU 85 1.569 -0.580 4.065 752 HD22 LEU 85 HD22 LEU 85 0.190 -0.002 3.128 753 HD23 LEU 85 HD23 LEU 85 1.774 -0.142 2.368 754 H ASN 86 H ASN 86 -2.340 -1.028 2.891 755 HA ASN 86 HA ASN 86 -3.346 1.050 1.021 756 HB2 ASN 86 HB2 ASN 86 -4.930 -0.125 3.312 757 HB3 ASN 86 HB3 ASN 86 -5.474 1.088 2.178 758 HD21 ASN 86 HD21 ASN 86 -4.181 -2.163 2.257 759 HD22 ASN 86 HD22 ASN 86 -5.164 -2.775 0.973 760 H ALA 87 H ALA 87 -4.152 2.990 2.268 761 HA ALA 87 HA ALA 87 -2.972 3.100 4.940 762 HB1 ALA 87 HB1 ALA 87 -2.534 5.302 2.927 763 HB2 ALA 87 HB2 ALA 87 -1.339 4.064 3.314 764 HB3 ALA 87 HB3 ALA 87 -1.872 5.197 4.558 765 H GLY 88 H GLY 88 -4.536 3.609 6.263 766 HA2 GLY 88 HA2 GLY 88 -6.583 5.515 5.387 767 HA3 GLY 88 HA3 GLY 88 -6.859 4.240 6.483 768 H SER 89 H SER 89 -7.291 4.959 8.438 769 HA SER 89 HA SER 89 -6.367 7.538 9.257 770 HB2 SER 89 HB2 SER 89 -8.054 5.486 10.700 771 HB3 SER 89 HB3 SER 89 -7.702 7.095 11.326 772 HG SER 89 HG SER 89 -9.731 6.696 10.033 773 H LYS 90 H LYS 90 -5.918 4.258 10.794 774 HA LYS 90 HA LYS 90 -4.103 5.330 12.723 775 HB2 LYS 90 HB2 LYS 90 -3.444 2.966 13.217 776 HB3 LYS 90 HB3 LYS 90 -5.150 3.280 13.392 777 HG2 LYS 90 HG2 LYS 90 -4.033 2.067 10.894 778 HG3 LYS 90 HG3 LYS 90 -4.414 1.104 12.310 779 HD2 LYS 90 HD2 LYS 90 -6.640 2.761 11.899 780 HD3 LYS 90 HD3 LYS 90 -6.196 2.128 10.316 781 HE2 LYS 90 HE2 LYS 90 -6.405 -0.104 11.036 782 HE3 LYS 90 HE3 LYS 90 -6.429 0.366 12.735 783 HZ1 LYS 90 HZ1 LYS 90 -8.594 1.183 12.548 784 HZ2 LYS 90 HZ2 LYS 90 -8.627 -0.266 11.674 785 HZ3 LYS 90 HZ3 LYS 90 -8.550 1.214 10.856 786 H THR 91 H THR 91 -3.739 5.119 9.571 787 HA THR 91 HA THR 91 -0.899 4.374 9.612 788 HB THR 91 HB THR 91 -2.478 5.104 7.149 789 HG1 THR 91 HG1 THR 91 -2.579 2.665 8.597 790 HG21 THR 91 HG21 THR 91 -0.221 3.158 7.638 791 HG22 THR 91 HG22 THR 91 -0.067 4.769 6.936 792 HG23 THR 91 HG23 THR 91 -0.959 3.515 6.077 793 H LYS 92 H LYS 92 0.493 6.066 9.780 794 HA LYS 92 HA LYS 92 -0.367 8.699 8.770 795 HB2 LYS 92 HB2 LYS 92 0.927 7.875 11.245 796 HB3 LYS 92 HB3 LYS 92 1.854 9.111 10.407 797 HG2 LYS 92 HG2 LYS 92 0.399 10.208 11.924 798 HG3 LYS 92 HG3 LYS 92 -0.225 10.490 10.299 799 HD2 LYS 92 HD2 LYS 92 -1.862 8.685 10.632 800 HD3 LYS 92 HD3 LYS 92 -1.247 8.442 12.270 801 HE2 LYS 92 HE2 LYS 92 -1.858 10.765 12.815 802 HE3 LYS 92 HE3 LYS 92 -2.523 10.955 11.193 803 HZ1 LYS 92 HZ1 LYS 92 -4.258 10.467 12.784 804 HZ2 LYS 92 HZ2 LYS 92 -3.480 9.040 13.253 805 HZ3 LYS 92 HZ3 LYS 92 -4.106 9.186 11.689 806 H ILE 93 H ILE 93 0.518 9.052 6.801 807 HA ILE 93 HA ILE 93 3.126 7.856 6.224 808 HB ILE 93 HB ILE 93 1.546 9.474 4.251 809 HG12 ILE 93 HG12 ILE 93 1.132 6.528 4.833 810 HG13 ILE 93 HG13 ILE 93 0.009 7.806 5.270 811 HG21 ILE 93 HG21 ILE 93 3.832 8.821 3.681 812 HG22 ILE 93 HG22 ILE 93 2.653 8.018 2.638 813 HG23 ILE 93 HG23 ILE 93 3.416 7.125 3.954 814 HD11 ILE 93 HD11 ILE 93 0.753 6.871 2.520 815 HD12 ILE 93 HD12 ILE 93 -0.126 8.369 2.826 816 HD13 ILE 93 HD13 ILE 93 -0.823 6.823 3.309 817 H ALA 94 H ALA 94 4.949 8.993 5.745 818 HA ALA 94 HA ALA 94 5.012 11.869 5.337 819 HB1 ALA 94 HB1 ALA 94 6.286 12.395 7.292 820 HB2 ALA 94 HB2 ALA 94 5.982 10.779 7.990 821 HB3 ALA 94 HB3 ALA 94 4.639 11.911 7.757 822 H GLU 95 H GLU 95 7.005 12.690 4.710 823 HA GLU 95 HA GLU 95 8.739 10.893 3.413 824 HB2 GLU 95 HB2 GLU 95 9.512 13.727 4.091 825 HB3 GLU 95 HB3 GLU 95 9.778 12.698 2.860 826 HG2 GLU 95 HG2 GLU 95 8.410 13.754 1.719 827 HG3 GLU 95 HG3 GLU 95 7.238 12.799 2.453 828 H ALA 96 H ALA 96 10.564 10.027 3.957 829 HA ALA 96 HA ALA 96 11.669 10.585 6.649 830 HB1 ALA 96 HB1 ALA 96 12.018 8.307 7.117 831 HB2 ALA 96 HB2 ALA 96 11.720 7.841 5.435 832 HB3 ALA 96 HB3 ALA 96 10.380 8.388 6.456 833 H SER 97 H SER 97 13.852 10.777 6.792 834 HA SER 97 HA SER 97 15.361 10.490 4.280 835 HB2 SER 97 HB2 SER 97 16.972 12.103 5.384 836 HB3 SER 97 HB3 SER 97 15.424 12.745 4.934 837 HG SER 97 HG SER 97 15.475 11.693 7.465 838 H GLU 98 H GLU 98 16.883 8.978 4.182 839 HA GLU 98 HA GLU 98 18.081 8.016 6.690 840 HB2 GLU 98 HB2 GLU 98 17.126 6.338 4.362 841 HB3 GLU 98 HB3 GLU 98 18.071 5.709 5.680 842 HG2 GLU 98 HG2 GLU 98 15.673 7.110 6.502 843 HG3 GLU 98 HG3 GLU 98 15.437 5.605 5.615 844 H ASP 99 H ASP 99 19.777 6.092 5.295 845 HA ASP 99 HA ASP 99 21.837 7.829 4.464 846 HB2 ASP 99 HB2 ASP 99 21.580 4.864 4.856 847 HB3 ASP 99 HB3 ASP 99 22.996 5.534 4.052 848 H GLY 100 H GLY 100 19.291 7.422 2.799 849 HA2 GLY 100 HA2 GLY 100 19.204 7.839 0.463 850 HA3 GLY 100 HA3 GLY 100 20.744 7.019 0.255 851 H PHE 101 H PHE 101 17.298 6.550 0.794 852 HA PHE 101 HA PHE 101 17.245 3.750 0.691 853 HB2 PHE 101 HB2 PHE 101 15.366 5.805 0.924 854 HB3 PHE 101 HB3 PHE 101 14.911 4.955 -0.549 855 HD1 PHE 101 HD2 PHE 101 15.879 4.237 2.987 856 HD2 PHE 101 HD1 PHE 101 13.508 3.147 -0.372 857 HE1 PHE 101 HE2 PHE 101 14.807 2.484 4.322 858 HE2 PHE 101 HE1 PHE 101 12.408 1.425 0.923 859 HZ PHE 101 HZ PHE 101 13.068 1.064 3.317 860 HA PRO 102 HA PRO 102 18.233 2.586 -3.454 861 HB2 PRO 102 HB2 PRO 102 15.763 0.916 -3.316 862 HB3 PRO 102 HB3 PRO 102 17.412 0.454 -3.767 863 HG2 PRO 102 HG2 PRO 102 16.454 -0.214 -1.391 864 HG3 PRO 102 HG3 PRO 102 18.137 0.323 -1.572 865 HD2 PRO 102 HD2 PRO 102 15.789 1.797 -0.474 866 HD3 PRO 102 HD3 PRO 102 17.502 1.852 0.018 867 H GLU 103 H GLU 103 17.715 3.193 -5.508 868 HA GLU 103 HA GLU 103 15.582 5.062 -5.852 869 HB2 GLU 103 HB2 GLU 103 17.958 4.868 -7.016 870 HB3 GLU 103 HB3 GLU 103 17.046 3.931 -8.191 871 HG2 GLU 103 HG2 GLU 103 15.647 5.767 -8.707 872 HG3 GLU 103 HG3 GLU 103 16.239 6.693 -7.329 873 H SER 104 H SER 104 13.981 4.920 -7.597 874 HA SER 104 HA SER 104 12.428 2.575 -7.390 875 HB2 SER 104 HB2 SER 104 12.114 4.607 -9.594 876 HB3 SER 104 HB3 SER 104 10.865 3.653 -8.795 877 HG SER 104 HG SER 104 12.399 5.734 -7.620 878 H SER 105 H SER 105 14.890 3.570 -9.626 879 HA SER 105 HA SER 105 14.204 1.601 -11.622 880 HB2 SER 105 HB2 SER 105 15.839 3.925 -11.516 881 HB3 SER 105 HB3 SER 105 16.874 2.567 -11.958 882 HG SER 105 HG SER 105 15.803 2.320 -13.788 883 H GLN 106 H GLN 106 15.635 1.437 -8.650 884 HA GLN 106 HA GLN 106 17.154 -0.972 -9.406 885 HB2 GLN 106 HB2 GLN 106 17.812 0.850 -7.099 886 HB3 GLN 106 HB3 GLN 106 18.752 -0.488 -7.667 887 HG2 GLN 106 HG2 GLN 106 18.910 0.851 -9.877 888 HG3 GLN 106 HG3 GLN 106 18.348 2.204 -8.899 889 HE21 GLN 106 HE21 GLN 106 20.610 -0.446 -8.245 890 HE22 GLN 106 HE22 GLN 106 21.946 0.566 -7.827 891 H ILE 107 H ILE 107 14.376 -0.140 -8.182 892 HA ILE 107 HA ILE 107 14.451 -1.762 -5.755 893 HB ILE 107 HB ILE 107 12.516 0.200 -6.900 894 HG12 ILE 107 HG12 ILE 107 13.230 -0.243 -4.014 895 HG13 ILE 107 HG13 ILE 107 14.334 0.596 -5.094 896 HG21 ILE 107 HG21 ILE 107 10.744 -0.511 -5.390 897 HG22 ILE 107 HG22 ILE 107 11.726 -1.887 -4.855 898 HG23 ILE 107 HG23 ILE 107 11.143 -1.800 -6.525 899 HD11 ILE 107 HD11 ILE 107 11.559 1.545 -5.075 900 HD12 ILE 107 HD12 ILE 107 13.083 2.433 -5.187 901 HD13 ILE 107 HD13 ILE 107 12.514 1.823 -3.617 902 HA PRO 108 HA PRO 108 13.250 -5.416 -8.072 903 HB2 PRO 108 HB2 PRO 108 12.287 -6.213 -5.367 904 HB3 PRO 108 HB3 PRO 108 13.317 -7.099 -6.499 905 HG2 PRO 108 HG2 PRO 108 14.382 -5.956 -4.363 906 HG3 PRO 108 HG3 PRO 108 15.221 -5.913 -5.927 907 HD2 PRO 108 HD2 PRO 108 13.702 -3.751 -4.543 908 HD3 PRO 108 HD3 PRO 108 15.179 -3.648 -5.523 909 H GLU 109 H GLU 109 11.271 -6.663 -8.419 910 HA GLU 109 HA GLU 109 8.847 -5.090 -7.833 911 HB2 GLU 109 HB2 GLU 109 7.984 -6.026 -10.041 912 HB3 GLU 109 HB3 GLU 109 9.234 -4.794 -10.149 913 HG2 GLU 109 HG2 GLU 109 10.896 -6.405 -10.669 914 HG3 GLU 109 HG3 GLU 109 9.812 -7.740 -10.279 915 H ASN 110 H ASN 110 10.293 -7.689 -6.815 916 HA ASN 110 HA ASN 110 8.674 -9.898 -7.251 917 HB2 ASN 110 HB2 ASN 110 10.902 -9.507 -5.819 918 HB3 ASN 110 HB3 ASN 110 9.735 -9.498 -4.500 919 HD21 ASN 110 HD21 ASN 110 11.622 -11.399 -6.499 920 HD22 ASN 110 HD22 ASN 110 10.914 -12.934 -6.143 921 H THR 111 H THR 111 6.629 -10.326 -6.796 922 HA THR 111 HA THR 111 5.134 -8.545 -5.058 923 HB THR 111 HB THR 111 3.468 -10.640 -6.011 924 HG1 THR 111 HG1 THR 111 5.330 -9.656 -7.920 925 HG21 THR 111 HG21 THR 111 2.851 -8.266 -5.624 926 HG22 THR 111 HG22 THR 111 2.364 -8.849 -7.215 927 HG23 THR 111 HG23 THR 111 3.786 -7.821 -7.050 928 HA PRO 112 HA PRO 112 5.802 -11.396 -1.626 929 HB2 PRO 112 HB2 PRO 112 3.716 -9.663 -0.418 930 HB3 PRO 112 HB3 PRO 112 5.302 -10.129 0.213 931 HG2 PRO 112 HG2 PRO 112 4.923 -7.682 -0.723 932 HG3 PRO 112 HG3 PRO 112 6.434 -8.555 -1.053 933 HD2 PRO 112 HD2 PRO 112 4.100 -8.090 -2.858 934 HD3 PRO 112 HD3 PRO 112 5.838 -8.049 -3.222 935 H THR 113 H THR 113 4.749 -13.228 -1.032 936 HA THR 113 HA THR 113 1.857 -13.413 -1.182 937 HB THR 113 HB THR 113 3.012 -15.707 -2.550 938 HG1 THR 113 HG1 THR 113 3.283 -14.390 -4.546 939 HG21 THR 113 HG21 THR 113 0.614 -15.203 -2.448 940 HG22 THR 113 HG22 THR 113 1.186 -15.265 -4.115 941 HG23 THR 113 HG23 THR 113 0.891 -13.708 -3.341 942 H ALA 114 H ALA 114 1.167 -14.549 0.507 943 HA ALA 114 HA ALA 114 2.933 -15.819 2.308 944 HB1 ALA 114 HB1 ALA 114 0.924 -16.503 3.510 945 HB2 ALA 114 HB2 ALA 114 -0.070 -16.049 2.124 946 HB3 ALA 114 HB3 ALA 114 0.819 -14.814 3.015 947 H ARG 115 H ARG 115 2.694 -18.099 3.050 948 HA ARG 115 HA ARG 115 2.854 -19.864 0.753 949 HB2 ARG 115 HB2 ARG 115 3.588 -21.551 2.474 950 HB3 ARG 115 HB3 ARG 115 4.611 -20.127 2.340 951 HG2 ARG 115 HG2 ARG 115 3.422 -19.171 4.309 952 HG3 ARG 115 HG3 ARG 115 2.580 -20.712 4.481 953 HD2 ARG 115 HD2 ARG 115 4.559 -20.507 5.954 954 HD3 ARG 115 HD3 ARG 115 4.659 -21.866 4.837 955 HE ARG 115 HE ARG 115 6.022 -19.315 4.285 956 HH11 ARG 115 HH11 ARG 115 6.065 -22.782 4.654 957 HH12 ARG 115 HH12 ARG 115 7.692 -22.950 4.089 958 HH21 ARG 115 HH21 ARG 115 8.166 -19.530 3.538 959 HH22 ARG 115 HH22 ARG 115 8.889 -21.102 3.456 960 H ARG 116 H ARG 116 1.518 -21.559 0.311 961 HA ARG 116 HA ARG 116 -0.937 -21.737 1.932 962 HB2 ARG 116 HB2 ARG 116 -0.464 -22.064 -1.022 963 HB3 ARG 116 HB3 ARG 116 -1.900 -22.717 -0.246 964 HG2 ARG 116 HG2 ARG 116 -2.432 -20.435 0.568 965 HG3 ARG 116 HG3 ARG 116 -1.061 -19.830 -0.364 966 HD2 ARG 116 HD2 ARG 116 -2.818 -21.516 -1.946 967 HD3 ARG 116 HD3 ARG 116 -3.661 -20.127 -1.262 968 HE ARG 116 HE ARG 116 -1.715 -20.100 -3.354 969 HH11 ARG 116 HH11 ARG 116 -3.056 -18.242 -0.728 970 HH12 ARG 116 HH12 ARG 116 -2.635 -16.713 -1.423 971 HH21 ARG 116 HH21 ARG 116 -1.156 -18.091 -4.278 972 HH22 ARG 116 HH22 ARG 116 -1.554 -16.628 -3.443 973 H ARG 117 H ARG 117 -1.841 -23.784 2.334 974 HA ARG 117 HA ARG 117 0.109 -25.884 2.607 975 HB2 ARG 117 HB2 ARG 117 -2.841 -26.094 3.188 976 HB3 ARG 117 HB3 ARG 117 -1.532 -27.036 3.886 977 HG2 ARG 117 HG2 ARG 117 -0.719 -25.071 5.063 978 HG3 ARG 117 HG3 ARG 117 -1.992 -24.093 4.330 979 HD2 ARG 117 HD2 ARG 117 -2.792 -26.540 5.812 980 HD3 ARG 117 HD3 ARG 117 -2.243 -25.151 6.750 981 HE ARG 117 HE ARG 117 -4.116 -24.238 4.901 982 HH11 ARG 117 HH11 ARG 117 -3.994 -26.338 7.681 983 HH12 ARG 117 HH12 ARG 117 -5.636 -26.038 8.140 984 HH21 ARG 117 HH21 ARG 117 -6.279 -23.838 5.499 985 HH22 ARG 117 HH22 ARG 117 -6.936 -24.618 6.899 Start of MODEL 9 1 H5' DT 1 H5' DT 1 -12.178 2.929 8.051 2 H5'' DT 1 H5'' DT 1 -12.013 3.747 9.618 3 H4' DT 1 H4' DT 1 -14.466 2.708 9.910 4 H3' DT 1 H3' DT 1 -14.109 2.886 6.944 5 H2' DT 1 H2' DT 1 -16.228 3.982 6.716 6 H2'' DT 1 H2'' DT 1 -16.757 3.498 8.322 7 H1' DT 1 H1' DT 1 -16.010 5.622 8.965 8 H3 DT 1 H3 DT 1 -15.067 9.093 6.349 9 H71 DT 1 H71 DT 1 -12.646 5.929 3.556 10 H72 DT 1 H72 DT 1 -11.405 6.753 4.529 11 H73 DT 1 H73 DT 1 -11.813 5.053 4.863 12 H6 DT 1 H6 DT 1 -13.419 4.620 6.501 13 HO5' DT 1 HO5' DT 1 -12.203 1.043 9.009 14 H5' DT 2 H5' DT 2 -13.132 -1.488 8.041 15 H5'' DT 2 H5'' DT 2 -13.274 0.283 8.081 16 H4' DT 2 H4' DT 2 -12.757 0.047 5.510 17 H3' DT 2 H3' DT 2 -11.718 -2.561 6.591 18 H2' DT 2 H2' DT 2 -9.817 -2.321 5.142 19 H2'' DT 2 H2'' DT 2 -10.575 -1.039 4.211 20 H1' DT 2 H1' DT 2 -9.405 0.372 5.729 21 H3 DT 2 H3 DT 2 -8.077 -0.684 10.280 22 H71 DT 2 H71 DT 2 -6.432 -4.510 8.222 23 H72 DT 2 H72 DT 2 -7.135 -4.467 6.588 24 H73 DT 2 H73 DT 2 -8.116 -5.027 7.964 25 H6 DT 2 H6 DT 2 -8.608 -2.650 5.979 26 H5' DT 3 H5' DT 3 -14.961 -5.094 2.067 27 H5'' DT 3 H5'' DT 3 -13.188 -5.074 2.173 28 H4' DT 3 H4' DT 3 -14.977 -3.324 0.755 29 H3' DT 3 H3' DT 3 -12.369 -4.334 0.366 30 H2' DT 3 H2' DT 3 -11.229 -2.456 1.260 31 H2'' DT 3 H2'' DT 3 -11.608 -1.776 -0.317 32 H1' DT 3 H1' DT 3 -13.682 -0.789 0.487 33 H3 DT 3 H3 DT 3 -13.280 2.511 3.593 34 H71 DT 3 H71 DT 3 -8.951 1.385 4.414 35 H72 DT 3 H72 DT 3 -8.489 0.708 2.836 36 H73 DT 3 H73 DT 3 -8.973 -0.376 4.160 37 H6 DT 3 H6 DT 3 -10.518 -1.072 2.104 38 H5' DT 4 H5' DT 4 -14.569 -2.734 -3.553 39 H5'' DT 4 H5'' DT 4 -13.762 -3.126 -5.086 40 H4' DT 4 H4' DT 4 -13.452 -0.795 -3.890 41 H3' DT 4 H3' DT 4 -11.442 -2.343 -5.483 42 H2' DT 4 H2' DT 4 -9.709 -0.881 -4.817 43 H2'' DT 4 H2'' DT 4 -10.815 0.466 -4.574 44 H1' DT 4 H1' DT 4 -10.964 0.012 -2.352 45 H3 DT 4 H3 DT 4 -6.412 -1.681 -2.319 46 H71 DT 4 H71 DT 4 -8.207 -4.901 0.410 47 H72 DT 4 H72 DT 4 -9.361 -3.812 1.217 48 H73 DT 4 H73 DT 4 -9.930 -4.942 -0.036 49 H6 DT 4 H6 DT 4 -10.877 -2.862 -1.137 50 H5' DT 5 H5' DT 5 -13.539 -2.246 -9.041 51 H5'' DT 5 H5'' DT 5 -12.422 -2.537 -7.690 52 H4' DT 5 H4' DT 5 -11.541 -2.196 -10.554 53 H3' DT 5 H3' DT 5 -13.012 -4.359 -9.922 54 H2' DT 5 H2' DT 5 -11.714 -5.110 -8.044 55 H2'' DT 5 H2'' DT 5 -10.990 -6.039 -9.348 56 H1' DT 5 H1' DT 5 -9.183 -4.472 -9.633 57 H3 DT 5 H3 DT 5 -6.285 -4.925 -6.292 58 H71 DT 5 H71 DT 5 -10.133 -3.099 -3.625 59 H72 DT 5 H72 DT 5 -9.554 -4.687 -3.070 60 H73 DT 5 H73 DT 5 -11.075 -4.566 -3.986 61 H6 DT 5 H6 DT 5 -10.967 -4.054 -6.399 62 H5' DT 6 H5' DT 6 -10.013 -4.652 -13.333 63 H5'' DT 6 H5'' DT 6 -9.223 -6.055 -14.082 64 H4' DT 6 H4' DT 6 -8.545 -4.542 -11.658 65 H3' DT 6 H3' DT 6 -7.055 -5.957 -13.816 66 HO3' DT 6 HO3' DT 6 -7.274 -3.515 -12.616 67 H2' DT 6 H2' DT 6 -5.266 -6.548 -12.328 68 H2'' DT 6 H2'' DT 6 -5.796 -5.416 -11.091 69 H1' DT 6 H1' DT 6 -6.816 -7.382 -10.226 70 H3 DT 6 H3 DT 6 -5.297 -11.087 -12.532 71 H71 DT 6 H71 DT 6 -10.327 -9.938 -13.858 72 H72 DT 6 H72 DT 6 -9.461 -11.370 -14.462 73 H73 DT 6 H73 DT 6 -9.315 -9.815 -15.316 74 H6 DT 6 H6 DT 6 -8.992 -8.089 -12.858 75 H1 MET 1 H MET 1 11.471 -2.520 14.998 76 H1 MET 1 HT1 MET 1 11.082 -1.436 13.758 77 H2 MET 1 H2 MET 1 11.636 -2.989 13.381 78 HA MET 1 HA MET 1 9.677 -3.983 14.310 79 HB2 MET 1 HB2 MET 1 8.936 -1.116 14.908 80 HB3 MET 1 HB3 MET 1 7.794 -2.450 14.972 81 HG2 MET 1 HG2 MET 1 9.916 -3.306 16.527 82 HG3 MET 1 HG3 MET 1 9.757 -1.594 16.912 83 HE1 MET 1 HE1 MET 1 9.422 -3.337 19.293 84 HE2 MET 1 HE2 MET 1 9.009 -4.763 18.341 85 HE3 MET 1 HE3 MET 1 7.887 -4.161 19.562 86 H GLU 2 H GLU 2 10.823 -2.546 11.832 87 HA GLU 2 HA GLU 2 8.304 -2.507 10.306 88 HB2 GLU 2 HB2 GLU 2 9.751 -1.098 8.658 89 HB3 GLU 2 HB3 GLU 2 9.057 -0.326 10.078 90 HG2 GLU 2 HG2 GLU 2 11.643 -1.412 10.697 91 HG3 GLU 2 HG3 GLU 2 11.735 -0.358 9.288 92 H GLU 3 H GLU 3 8.093 -3.945 8.718 93 HA GLU 3 HA GLU 3 10.386 -5.647 8.096 94 HB2 GLU 3 HB2 GLU 3 8.862 -7.286 7.380 95 HB3 GLU 3 HB3 GLU 3 8.114 -6.569 8.800 96 HG2 GLU 3 HG2 GLU 3 6.949 -5.036 7.012 97 HG3 GLU 3 HG3 GLU 3 7.325 -6.384 5.940 98 H LYS 4 H LYS 4 10.375 -6.532 5.761 99 HA LYS 4 HA LYS 4 10.430 -4.150 3.974 100 HB2 LYS 4 HB2 LYS 4 11.700 -5.864 2.500 101 HB3 LYS 4 HB3 LYS 4 12.511 -5.135 3.877 102 HG2 LYS 4 HG2 LYS 4 11.096 -7.691 4.336 103 HG3 LYS 4 HG3 LYS 4 12.580 -7.741 3.385 104 HD2 LYS 4 HD2 LYS 4 12.695 -6.143 5.861 105 HD3 LYS 4 HD3 LYS 4 12.508 -7.883 6.082 106 HE2 LYS 4 HE2 LYS 4 14.443 -7.832 4.200 107 HE3 LYS 4 HE3 LYS 4 14.795 -6.333 5.057 108 HZ1 LYS 4 HZ1 LYS 4 14.560 -9.020 6.299 109 HZ2 LYS 4 HZ2 LYS 4 14.898 -7.582 7.122 110 HZ3 LYS 4 HZ3 LYS 4 16.006 -8.194 5.999 111 H VAL 5 H VAL 5 10.024 -4.768 1.599 112 HA VAL 5 HA VAL 5 7.302 -5.609 1.398 113 HB VAL 5 HB VAL 5 9.299 -5.019 -0.795 114 HG11 VAL 5 HG11 VAL 5 7.498 -6.293 -1.710 115 HG12 VAL 5 HG12 VAL 5 7.250 -4.603 -2.158 116 HG13 VAL 5 HG13 VAL 5 6.304 -5.317 -0.853 117 HG21 VAL 5 HG21 VAL 5 7.215 -3.246 0.474 118 HG22 VAL 5 HG22 VAL 5 8.246 -2.816 -0.890 119 HG23 VAL 5 HG23 VAL 5 8.960 -3.115 0.695 120 H GLY 6 H GLY 6 10.423 -7.054 0.627 121 HA2 GLY 6 HA2 GLY 6 9.292 -9.323 -0.722 122 HA3 GLY 6 HA3 GLY 6 10.968 -9.125 -0.235 123 H ASN 7 H ASN 7 9.083 -8.519 2.421 124 HA ASN 7 HA ASN 7 9.107 -11.336 3.268 125 HB2 ASN 7 HB2 ASN 7 10.950 -9.700 4.172 126 HB3 ASN 7 HB3 ASN 7 9.656 -9.150 5.231 127 HD21 ASN 7 HD21 ASN 7 10.155 -9.951 7.143 128 HD22 ASN 7 HD22 ASN 7 10.502 -11.577 7.480 129 H LEU 8 H LEU 8 7.183 -8.779 2.624 130 HA LEU 8 HA LEU 8 5.468 -8.836 4.943 131 HB2 LEU 8 HB2 LEU 8 4.363 -7.095 3.993 132 HB3 LEU 8 HB3 LEU 8 5.861 -6.964 3.096 133 HG LEU 8 HG LEU 8 4.460 -8.641 1.483 134 HD11 LEU 8 HD11 LEU 8 2.318 -8.709 2.125 135 HD12 LEU 8 HD12 LEU 8 2.230 -7.021 1.504 136 HD13 LEU 8 HD13 LEU 8 2.543 -7.326 3.233 137 HD21 LEU 8 HD21 LEU 8 5.625 -6.751 0.652 138 HD22 LEU 8 HD22 LEU 8 4.561 -5.638 1.515 139 HD23 LEU 8 HD23 LEU 8 3.939 -6.580 0.160 140 H LYS 9 H LYS 9 3.275 -9.636 4.958 141 HA LYS 9 HA LYS 9 2.539 -11.503 2.907 142 HB2 LYS 9 HB2 LYS 9 2.000 -13.078 4.415 143 HB3 LYS 9 HB3 LYS 9 3.577 -12.595 4.797 144 HG2 LYS 9 HG2 LYS 9 2.932 -12.137 6.908 145 HG3 LYS 9 HG3 LYS 9 1.662 -11.116 6.281 146 HD2 LYS 9 HD2 LYS 9 0.322 -12.640 7.306 147 HD3 LYS 9 HD3 LYS 9 0.566 -13.516 5.794 148 HE2 LYS 9 HE2 LYS 9 1.359 -15.195 7.024 149 HE3 LYS 9 HE3 LYS 9 2.771 -14.187 7.332 150 HZ1 LYS 9 HZ1 LYS 9 1.674 -13.324 9.308 151 HZ2 LYS 9 HZ2 LYS 9 1.816 -15.009 9.386 152 HZ3 LYS 9 HZ3 LYS 9 0.324 -14.302 9.013 153 HA PRO 10 HA PRO 10 -1.381 -9.499 3.253 154 HB2 PRO 10 HB2 PRO 10 -3.049 -11.355 2.254 155 HB3 PRO 10 HB3 PRO 10 -1.885 -10.501 1.269 156 HG2 PRO 10 HG2 PRO 10 -1.735 -13.252 2.411 157 HG3 PRO 10 HG3 PRO 10 -1.229 -12.697 0.805 158 HD2 PRO 10 HD2 PRO 10 0.576 -13.040 2.877 159 HD3 PRO 10 HD3 PRO 10 0.784 -11.948 1.544 160 H ASN 11 H ASN 11 -3.541 -9.678 4.176 161 HA ASN 11 HA ASN 11 -5.071 -10.202 5.807 162 HB2 ASN 11 HB2 ASN 11 -3.669 -12.756 5.420 163 HB3 ASN 11 HB3 ASN 11 -4.420 -12.575 7.003 164 HD21 ASN 11 HD21 ASN 11 -4.998 -12.521 3.541 165 HD22 ASN 11 HD22 ASN 11 -6.706 -12.894 3.636 166 H MET 12 H MET 12 -2.446 -8.836 6.396 167 HA MET 12 HA MET 12 -2.272 -9.393 9.232 168 HB2 MET 12 HB2 MET 12 -0.430 -7.917 7.350 169 HB3 MET 12 HB3 MET 12 -0.215 -8.042 9.041 170 HG2 MET 12 HG2 MET 12 -0.487 -10.648 8.392 171 HG3 MET 12 HG3 MET 12 0.284 -9.964 6.972 172 HE1 MET 12 HE1 MET 12 2.698 -9.149 6.806 173 HE2 MET 12 HE2 MET 12 3.707 -8.753 8.217 174 HE3 MET 12 HE3 MET 12 2.260 -7.806 7.872 175 H GLU 13 H GLU 13 -3.148 -8.024 10.638 176 HA GLU 13 HA GLU 13 -4.353 -5.576 9.681 177 HB2 GLU 13 HB2 GLU 13 -4.341 -6.183 12.581 178 HB3 GLU 13 HB3 GLU 13 -5.655 -5.630 11.553 179 HG2 GLU 13 HG2 GLU 13 -5.403 -8.075 10.560 180 HG3 GLU 13 HG3 GLU 13 -4.750 -8.383 12.169 181 H SER 14 H SER 14 -1.330 -6.090 10.110 182 HA SER 14 HA SER 14 -0.752 -3.411 10.993 183 HB2 SER 14 HB2 SER 14 0.998 -4.385 12.671 184 HB3 SER 14 HB3 SER 14 -0.684 -4.236 13.177 185 HG SER 14 HG SER 14 0.576 -6.583 12.202 186 H VAL 15 H VAL 15 0.636 -2.734 9.499 187 HA VAL 15 HA VAL 15 2.896 -4.451 8.781 188 HB VAL 15 HB VAL 15 1.759 -2.939 6.514 189 HG11 VAL 15 HG11 VAL 15 2.459 -4.940 5.286 190 HG12 VAL 15 HG12 VAL 15 2.873 -5.725 6.811 191 HG13 VAL 15 HG13 VAL 15 3.762 -4.297 6.284 192 HG21 VAL 15 HG21 VAL 15 -0.126 -4.144 6.128 193 HG22 VAL 15 HG22 VAL 15 -0.130 -4.232 7.891 194 HG23 VAL 15 HG23 VAL 15 0.493 -5.581 6.942 195 H ASN 16 H ASN 16 4.601 -3.309 9.356 196 HA ASN 16 HA ASN 16 4.668 -0.412 8.871 197 HB2 ASN 16 HB2 ASN 16 5.340 -1.925 11.108 198 HB3 ASN 16 HB3 ASN 16 6.837 -1.326 10.425 199 HD21 ASN 16 HD21 ASN 16 6.435 1.071 9.593 200 HD22 ASN 16 HD22 ASN 16 5.801 2.103 10.847 201 H VAL 17 H VAL 17 5.997 0.368 7.317 202 HA VAL 17 HA VAL 17 8.412 -1.050 6.608 203 HB VAL 17 HB VAL 17 7.035 -2.428 5.370 204 HG11 VAL 17 HG11 VAL 17 5.072 -0.736 5.638 205 HG12 VAL 17 HG12 VAL 17 5.068 -1.895 4.287 206 HG13 VAL 17 HG13 VAL 17 5.561 -0.226 4.004 207 HG21 VAL 17 HG21 VAL 17 8.872 -1.720 3.986 208 HG22 VAL 17 HG22 VAL 17 8.016 -0.248 3.532 209 HG23 VAL 17 HG23 VAL 17 7.441 -1.813 2.958 210 H THR 18 H THR 18 9.760 0.089 5.169 211 HA THR 18 HA THR 18 9.018 2.899 4.704 212 HB THR 18 HB THR 18 11.898 2.270 4.712 213 HG1 THR 18 HG1 THR 18 11.886 2.307 7.084 214 HG21 THR 18 HG21 THR 18 10.086 4.477 5.386 215 HG22 THR 18 HG22 THR 18 11.730 4.517 4.719 216 HG23 THR 18 HG23 THR 18 11.475 4.322 6.463 217 H VAL 19 H VAL 19 9.147 3.579 2.569 218 HA VAL 19 HA VAL 19 10.668 2.137 0.667 219 HB VAL 19 HB VAL 19 8.785 1.730 -0.882 220 HG11 VAL 19 HG11 VAL 19 9.525 -0.116 0.382 221 HG12 VAL 19 HG12 VAL 19 7.729 -0.035 0.222 222 HG13 VAL 19 HG13 VAL 19 8.565 0.465 1.798 223 HG21 VAL 19 HG21 VAL 19 7.142 3.279 -0.226 224 HG22 VAL 19 HG22 VAL 19 7.173 2.729 1.449 225 HG23 VAL 19 HG23 VAL 19 6.474 1.704 0.198 226 H ARG 20 H ARG 20 10.006 3.099 -1.618 227 HA ARG 20 HA ARG 20 9.802 5.968 -1.312 228 HB2 ARG 20 HB2 ARG 20 12.008 4.967 -2.062 229 HB3 ARG 20 HB3 ARG 20 11.241 4.573 -3.564 230 HG2 ARG 20 HG2 ARG 20 11.933 6.640 -4.227 231 HG3 ARG 20 HG3 ARG 20 10.672 7.282 -3.169 232 HD2 ARG 20 HD2 ARG 20 12.232 7.409 -1.328 233 HD3 ARG 20 HD3 ARG 20 13.490 6.653 -2.302 234 HE ARG 20 HE ARG 20 12.378 9.340 -2.780 235 HH11 ARG 20 HH11 ARG 20 14.963 7.010 -3.029 236 HH12 ARG 20 HH12 ARG 20 16.086 8.139 -3.707 237 HH21 ARG 20 HH21 ARG 20 13.853 10.830 -3.675 238 HH22 ARG 20 HH22 ARG 20 15.455 10.309 -4.075 239 H VAL 21 H VAL 21 8.684 7.169 -2.970 240 HA VAL 21 HA VAL 21 6.352 5.732 -3.933 241 HB VAL 21 HB VAL 21 7.244 8.588 -4.676 242 HG11 VAL 21 HG11 VAL 21 4.850 8.939 -5.012 243 HG12 VAL 21 HG12 VAL 21 4.573 7.226 -4.690 244 HG13 VAL 21 HG13 VAL 21 5.508 7.718 -6.103 245 HG21 VAL 21 HG21 VAL 21 5.888 9.350 -2.822 246 HG22 VAL 21 HG22 VAL 21 7.215 8.332 -2.258 247 HG23 VAL 21 HG23 VAL 21 5.580 7.677 -2.354 248 H LEU 22 H LEU 22 6.106 4.788 -5.831 249 HA LEU 22 HA LEU 22 8.101 5.169 -7.935 250 HB2 LEU 22 HB2 LEU 22 6.103 2.925 -7.683 251 HB3 LEU 22 HB3 LEU 22 7.505 2.998 -8.703 252 HG LEU 22 HG LEU 22 7.482 2.696 -5.726 253 HD11 LEU 22 HD11 LEU 22 8.615 0.866 -7.826 254 HD12 LEU 22 HD12 LEU 22 6.995 0.694 -7.152 255 HD13 LEU 22 HD13 LEU 22 8.406 0.543 -6.104 256 HD21 LEU 22 HD21 LEU 22 9.914 2.834 -7.497 257 HD22 LEU 22 HD22 LEU 22 9.847 2.730 -5.737 258 HD23 LEU 22 HD23 LEU 22 9.312 4.196 -6.547 259 H GLU 23 H GLU 23 4.815 5.519 -7.088 260 HA GLU 23 HA GLU 23 4.265 7.061 -9.494 261 HB2 GLU 23 HB2 GLU 23 3.914 4.506 -10.000 262 HB3 GLU 23 HB3 GLU 23 2.414 4.740 -9.112 263 HG2 GLU 23 HG2 GLU 23 1.522 5.359 -11.047 264 HG3 GLU 23 HG3 GLU 23 2.439 6.855 -10.875 265 H ALA 24 H ALA 24 1.951 7.878 -9.473 266 HA ALA 24 HA ALA 24 0.505 7.715 -7.004 267 HB1 ALA 24 HB1 ALA 24 1.917 10.306 -7.657 268 HB2 ALA 24 HB2 ALA 24 2.305 9.222 -6.320 269 HB3 ALA 24 HB3 ALA 24 0.754 10.063 -6.353 270 H SER 25 H SER 25 -1.583 8.007 -7.430 271 HA SER 25 HA SER 25 -2.304 9.481 -9.886 272 HB2 SER 25 HB2 SER 25 -2.835 6.859 -9.379 273 HB3 SER 25 HB3 SER 25 -4.298 7.621 -8.756 274 HG SER 25 HG SER 25 -3.956 7.029 -11.182 275 H GLU 26 H GLU 26 -4.222 10.776 -9.835 276 HA GLU 26 HA GLU 26 -4.520 12.276 -7.474 277 HB2 GLU 26 HB2 GLU 26 -6.454 12.217 -9.790 278 HB3 GLU 26 HB3 GLU 26 -6.159 13.523 -8.667 279 HG2 GLU 26 HG2 GLU 26 -4.079 12.503 -10.561 280 HG3 GLU 26 HG3 GLU 26 -5.180 13.825 -10.945 281 H ALA 27 H ALA 27 -6.372 12.561 -6.197 282 HA ALA 27 HA ALA 27 -7.457 10.059 -5.383 283 HB1 ALA 27 HB1 ALA 27 -8.290 11.326 -3.488 284 HB2 ALA 27 HB2 ALA 27 -7.871 12.832 -4.308 285 HB3 ALA 27 HB3 ALA 27 -6.581 11.697 -3.833 286 H ARG 28 H ARG 28 -9.287 9.159 -5.854 287 HA ARG 28 HA ARG 28 -11.461 10.740 -7.050 288 HB2 ARG 28 HB2 ARG 28 -10.626 9.739 -8.955 289 HB3 ARG 28 HB3 ARG 28 -10.034 8.333 -8.090 290 HG2 ARG 28 HG2 ARG 28 -12.758 8.099 -7.832 291 HG3 ARG 28 HG3 ARG 28 -12.569 8.768 -9.453 292 HD2 ARG 28 HD2 ARG 28 -11.247 6.957 -10.162 293 HD3 ARG 28 HD3 ARG 28 -10.951 6.419 -8.509 294 HE ARG 28 HE ARG 28 -13.697 6.340 -9.503 295 HH11 ARG 28 HH11 ARG 28 -10.782 4.612 -8.665 296 HH12 ARG 28 HH12 ARG 28 -11.575 3.077 -8.547 297 HH21 ARG 28 HH21 ARG 28 -14.741 4.319 -9.351 298 HH22 ARG 28 HH22 ARG 28 -13.821 2.911 -8.940 299 H GLN 29 H GLN 29 -13.571 9.756 -6.895 300 HA GLN 29 HA GLN 29 -14.010 8.449 -4.358 301 HB2 GLN 29 HB2 GLN 29 -15.832 9.636 -6.444 302 HB3 GLN 29 HB3 GLN 29 -16.449 8.761 -5.049 303 HG2 GLN 29 HG2 GLN 29 -15.334 10.350 -3.575 304 HG3 GLN 29 HG3 GLN 29 -14.759 11.245 -4.981 305 HE21 GLN 29 HE21 GLN 29 -17.536 10.396 -3.059 306 HE22 GLN 29 HE22 GLN 29 -18.593 11.609 -3.688 307 H ILE 30 H ILE 30 -14.860 6.439 -4.029 308 HA ILE 30 HA ILE 30 -15.359 4.780 -6.411 309 HB ILE 30 HB ILE 30 -14.417 2.868 -5.326 310 HG12 ILE 30 HG12 ILE 30 -13.811 4.542 -2.899 311 HG13 ILE 30 HG13 ILE 30 -15.300 3.612 -3.056 312 HG21 ILE 30 HG21 ILE 30 -12.656 5.294 -5.057 313 HG22 ILE 30 HG22 ILE 30 -12.689 4.107 -6.364 314 HG23 ILE 30 HG23 ILE 30 -12.059 3.652 -4.772 315 HD11 ILE 30 HD11 ILE 30 -13.308 1.788 -3.657 316 HD12 ILE 30 HD12 ILE 30 -14.168 1.931 -2.125 317 HD13 ILE 30 HD13 ILE 30 -12.624 2.752 -2.348 318 H GLN 31 H GLN 31 -16.844 2.947 -5.932 319 HA GLN 31 HA GLN 31 -18.864 3.708 -3.942 320 HB2 GLN 31 HB2 GLN 31 -19.158 2.462 -6.668 321 HB3 GLN 31 HB3 GLN 31 -20.443 2.387 -5.471 322 HG2 GLN 31 HG2 GLN 31 -20.545 4.815 -5.407 323 HG3 GLN 31 HG3 GLN 31 -19.227 4.911 -6.574 324 HE21 GLN 31 HE21 GLN 31 -19.610 4.351 -8.721 325 HE22 GLN 31 HE22 GLN 31 -21.207 4.233 -9.369 326 H THR 32 H THR 32 -18.781 2.414 -2.242 327 HA THR 32 HA THR 32 -18.130 -0.431 -2.642 328 HB THR 32 HB THR 32 -17.515 -0.534 -0.300 329 HG1 THR 32 HG1 THR 32 -17.554 1.380 0.953 330 HG21 THR 32 HG21 THR 32 -16.287 1.609 -1.988 331 HG22 THR 32 HG22 THR 32 -15.674 -0.001 -1.616 332 HG23 THR 32 HG23 THR 32 -15.648 1.264 -0.377 333 H LYS 33 H LYS 33 -19.046 -1.609 -0.465 334 HA LYS 33 HA LYS 33 -21.893 -1.626 -0.894 335 HB2 LYS 33 HB2 LYS 33 -21.885 -3.590 0.569 336 HB3 LYS 33 HB3 LYS 33 -20.655 -3.731 -0.678 337 HG2 LYS 33 HG2 LYS 33 -18.912 -3.272 0.849 338 HG3 LYS 33 HG3 LYS 33 -20.048 -2.747 2.094 339 HD2 LYS 33 HD2 LYS 33 -20.974 -5.096 2.069 340 HD3 LYS 33 HD3 LYS 33 -19.597 -5.539 1.058 341 HE2 LYS 33 HE2 LYS 33 -18.061 -4.814 2.801 342 HE3 LYS 33 HE3 LYS 33 -19.417 -4.303 3.805 343 HZ1 LYS 33 HZ1 LYS 33 -18.768 -7.079 2.975 344 HZ2 LYS 33 HZ2 LYS 33 -20.175 -6.639 3.803 345 HZ3 LYS 33 HZ3 LYS 33 -18.665 -6.434 4.536 346 H ASN 34 H ASN 34 -19.812 0.062 1.082 347 HA ASN 34 HA ASN 34 -21.831 0.382 3.206 348 HB2 ASN 34 HB2 ASN 34 -18.862 0.970 3.256 349 HB3 ASN 34 HB3 ASN 34 -19.974 1.312 4.577 350 HD21 ASN 34 HD21 ASN 34 -20.861 -0.395 5.749 351 HD22 ASN 34 HD22 ASN 34 -20.166 -1.977 5.718 352 H GLY 35 H GLY 35 -21.139 1.750 0.414 353 HA2 GLY 35 HA2 GLY 35 -22.372 3.875 0.041 354 HA3 GLY 35 HA3 GLY 35 -21.513 4.500 1.439 355 H VAL 36 H VAL 36 -20.572 6.211 0.312 356 HA VAL 36 HA VAL 36 -18.596 5.378 -1.699 357 HB VAL 36 HB VAL 36 -20.266 6.754 -2.742 358 HG11 VAL 36 HG11 VAL 36 -20.683 9.065 -2.071 359 HG12 VAL 36 HG12 VAL 36 -19.571 8.882 -0.714 360 HG13 VAL 36 HG13 VAL 36 -21.069 7.952 -0.758 361 HG21 VAL 36 HG21 VAL 36 -17.728 8.330 -2.354 362 HG22 VAL 36 HG22 VAL 36 -18.867 8.491 -3.692 363 HG23 VAL 36 HG23 VAL 36 -17.954 6.995 -3.485 364 H ARG 37 H ARG 37 -16.576 6.054 -1.605 365 HA ARG 37 HA ARG 37 -15.615 7.785 0.551 366 HB2 ARG 37 HB2 ARG 37 -13.834 6.196 0.895 367 HB3 ARG 37 HB3 ARG 37 -15.355 5.849 1.642 368 HG2 ARG 37 HG2 ARG 37 -14.756 4.631 -1.010 369 HG3 ARG 37 HG3 ARG 37 -14.071 3.922 0.448 370 HD2 ARG 37 HD2 ARG 37 -16.972 4.579 0.327 371 HD3 ARG 37 HD3 ARG 37 -16.369 3.100 -0.410 372 HE ARG 37 HE ARG 37 -15.462 2.571 1.864 373 HH11 ARG 37 HH11 ARG 37 -18.219 4.685 1.490 374 HH12 ARG 37 HH12 ARG 37 -18.861 4.330 3.059 375 HH21 ARG 37 HH21 ARG 37 -16.300 2.116 3.930 376 HH22 ARG 37 HH22 ARG 37 -17.774 2.869 4.440 377 H THR 38 H THR 38 -13.207 8.171 0.274 378 HA THR 38 HA THR 38 -12.777 8.633 -2.608 379 HB THR 38 HB THR 38 -11.371 10.637 -1.661 380 HG1 THR 38 HG1 THR 38 -12.112 11.456 0.240 381 HG21 THR 38 HG21 THR 38 -14.375 10.752 -1.848 382 HG22 THR 38 HG22 THR 38 -13.248 10.883 -3.199 383 HG23 THR 38 HG23 THR 38 -13.283 12.132 -1.955 384 H ILE 39 H ILE 39 -11.239 7.305 -3.184 385 HA ILE 39 HA ILE 39 -8.857 7.186 -1.471 386 HB ILE 39 HB ILE 39 -8.585 4.829 -2.223 387 HG12 ILE 39 HG12 ILE 39 -11.464 4.694 -2.837 388 HG13 ILE 39 HG13 ILE 39 -10.451 5.427 -4.083 389 HG21 ILE 39 HG21 ILE 39 -9.647 4.129 -0.382 390 HG22 ILE 39 HG22 ILE 39 -11.191 4.809 -0.896 391 HG23 ILE 39 HG23 ILE 39 -9.981 5.839 -0.151 392 HD11 ILE 39 HD11 ILE 39 -9.057 3.169 -3.341 393 HD12 ILE 39 HD12 ILE 39 -10.090 3.337 -4.758 394 HD13 ILE 39 HD13 ILE 39 -10.742 2.662 -3.265 395 H SER 40 H SER 40 -7.080 6.021 -2.773 396 HA SER 40 HA SER 40 -7.081 6.569 -5.595 397 HB2 SER 40 HB2 SER 40 -6.471 8.759 -4.479 398 HB3 SER 40 HB3 SER 40 -5.022 7.938 -3.868 399 HG SER 40 HG SER 40 -5.494 8.958 -6.315 400 H GLU 41 H GLU 41 -4.928 5.945 -6.525 401 HA GLU 41 HA GLU 41 -3.756 3.814 -4.910 402 HB2 GLU 41 HB2 GLU 41 -5.365 3.220 -6.873 403 HB3 GLU 41 HB3 GLU 41 -3.999 3.641 -7.894 404 HG2 GLU 41 HG2 GLU 41 -3.033 1.900 -5.893 405 HG3 GLU 41 HG3 GLU 41 -4.538 1.210 -6.500 406 H ALA 42 H ALA 42 -1.592 3.663 -4.883 407 HA ALA 42 HA ALA 42 0.023 5.245 -6.750 408 HB1 ALA 42 HB1 ALA 42 -0.473 6.728 -4.859 409 HB2 ALA 42 HB2 ALA 42 1.242 6.331 -4.959 410 HB3 ALA 42 HB3 ALA 42 0.222 5.542 -3.754 411 H ILE 43 H ILE 43 1.807 4.150 -7.323 412 HA ILE 43 HA ILE 43 2.375 1.614 -6.061 413 HB ILE 43 HB ILE 43 3.794 2.920 -8.385 414 HG12 ILE 43 HG12 ILE 43 1.473 2.720 -8.971 415 HG13 ILE 43 HG13 ILE 43 2.343 1.424 -9.783 416 HG21 ILE 43 HG21 ILE 43 4.589 0.735 -8.939 417 HG22 ILE 43 HG22 ILE 43 3.625 0.003 -7.657 418 HG23 ILE 43 HG23 ILE 43 4.985 1.050 -7.249 419 HD11 ILE 43 HD11 ILE 43 1.622 -0.095 -7.928 420 HD12 ILE 43 HD12 ILE 43 0.318 0.526 -8.943 421 HD13 ILE 43 HD13 ILE 43 0.602 1.223 -7.347 422 H VAL 44 H VAL 44 3.897 1.257 -4.636 423 HA VAL 44 HA VAL 44 6.264 2.964 -4.318 424 HB VAL 44 HB VAL 44 6.077 1.792 -1.768 425 HG11 VAL 44 HG11 VAL 44 5.057 4.316 -2.954 426 HG12 VAL 44 HG12 VAL 44 5.558 4.016 -1.282 427 HG13 VAL 44 HG13 VAL 44 3.879 3.675 -1.796 428 HG21 VAL 44 HG21 VAL 44 4.074 0.603 -2.702 429 HG22 VAL 44 HG22 VAL 44 3.326 2.200 -2.897 430 HG23 VAL 44 HG23 VAL 44 3.737 1.609 -1.282 431 H GLY 45 H GLY 45 7.899 1.849 -3.175 432 HA2 GLY 45 HA2 GLY 45 7.957 -0.809 -2.520 433 HA3 GLY 45 HA3 GLY 45 8.488 -0.779 -4.194 434 H ASP 46 H ASP 46 10.190 -1.797 -2.416 435 HA ASP 46 HA ASP 46 12.240 0.301 -2.158 436 HB2 ASP 46 HB2 ASP 46 13.070 -0.882 -0.128 437 HB3 ASP 46 HB3 ASP 46 11.457 -0.211 0.075 438 H GLU 47 H GLU 47 14.315 -1.340 -1.333 439 HA GLU 47 HA GLU 47 15.076 -2.528 -3.813 440 HB2 GLU 47 HB2 GLU 47 17.162 -3.169 -2.507 441 HB3 GLU 47 HB3 GLU 47 16.815 -1.452 -2.639 442 HG2 GLU 47 HG2 GLU 47 16.646 -1.217 -0.434 443 HG3 GLU 47 HG3 GLU 47 15.613 -2.637 -0.281 444 H THR 48 H THR 48 13.109 -3.695 -1.459 445 HA THR 48 HA THR 48 14.090 -6.455 -1.713 446 HB THR 48 HB THR 48 12.958 -6.990 0.248 447 HG1 THR 48 HG1 THR 48 11.086 -5.417 -0.667 448 HG21 THR 48 HG21 THR 48 14.821 -5.227 0.462 449 HG22 THR 48 HG22 THR 48 13.779 -5.511 1.855 450 HG23 THR 48 HG23 THR 48 13.511 -4.102 0.827 451 H GLY 49 H GLY 49 12.041 -4.504 -3.370 452 HA2 GLY 49 HA2 GLY 49 10.892 -6.121 -5.063 453 HA3 GLY 49 HA3 GLY 49 9.914 -6.486 -3.652 454 H ARG 50 H ARG 50 8.029 -5.737 -4.552 455 HA ARG 50 HA ARG 50 7.615 -2.911 -4.418 456 HB2 ARG 50 HB2 ARG 50 8.385 -3.115 -6.712 457 HB3 ARG 50 HB3 ARG 50 7.245 -4.425 -7.004 458 HG2 ARG 50 HG2 ARG 50 5.515 -2.599 -6.227 459 HG3 ARG 50 HG3 ARG 50 6.784 -1.517 -6.792 460 HD2 ARG 50 HD2 ARG 50 5.863 -3.816 -8.477 461 HD3 ARG 50 HD3 ARG 50 4.943 -2.316 -8.437 462 HE ARG 50 HE ARG 50 7.786 -2.157 -9.055 463 HH11 ARG 50 HH11 ARG 50 4.486 -2.026 -10.170 464 HH12 ARG 50 HH12 ARG 50 4.891 -1.279 -11.679 465 HH21 ARG 50 HH21 ARG 50 8.328 -1.171 -11.034 466 HH22 ARG 50 HH22 ARG 50 7.076 -0.794 -12.171 467 H VAL 51 H VAL 51 5.534 -2.429 -4.054 468 HA VAL 51 HA VAL 51 3.455 -4.428 -4.266 469 HB VAL 51 HB VAL 51 4.300 -4.919 -2.072 470 HG11 VAL 51 HG11 VAL 51 4.010 -1.978 -1.465 471 HG12 VAL 51 HG12 VAL 51 5.528 -2.857 -1.649 472 HG13 VAL 51 HG13 VAL 51 4.451 -3.228 -0.302 473 HG21 VAL 51 HG21 VAL 51 1.822 -3.236 -1.929 474 HG22 VAL 51 HG22 VAL 51 2.339 -4.381 -0.690 475 HG23 VAL 51 HG23 VAL 51 1.905 -4.955 -2.301 476 H LYS 52 H LYS 52 1.528 -3.540 -4.773 477 HA LYS 52 HA LYS 52 1.302 -0.785 -5.332 478 HB2 LYS 52 HB2 LYS 52 -1.083 -2.582 -5.045 479 HB3 LYS 52 HB3 LYS 52 -0.815 -1.281 -6.198 480 HG2 LYS 52 HG2 LYS 52 1.191 -3.241 -6.624 481 HG3 LYS 52 HG3 LYS 52 -0.365 -4.066 -6.524 482 HD2 LYS 52 HD2 LYS 52 -1.264 -2.783 -8.297 483 HD3 LYS 52 HD3 LYS 52 0.076 -1.636 -8.244 484 HE2 LYS 52 HE2 LYS 52 0.313 -3.122 -10.150 485 HE3 LYS 52 HE3 LYS 52 1.609 -3.415 -8.987 486 HZ1 LYS 52 HZ1 LYS 52 0.385 -5.335 -8.169 487 HZ2 LYS 52 HZ2 LYS 52 0.678 -5.483 -9.828 488 HZ3 LYS 52 HZ3 LYS 52 -0.861 -5.047 -9.278 489 H LEU 53 H LEU 53 0.622 0.892 -4.114 490 HA LEU 53 HA LEU 53 -0.385 0.337 -1.414 491 HB2 LEU 53 HB2 LEU 53 1.701 1.761 -1.886 492 HB3 LEU 53 HB3 LEU 53 0.592 2.998 -2.428 493 HG LEU 53 HG LEU 53 1.498 3.181 -0.051 494 HD11 LEU 53 HD11 LEU 53 -0.376 4.521 -0.813 495 HD12 LEU 53 HD12 LEU 53 -0.615 4.001 0.856 496 HD13 LEU 53 HD13 LEU 53 -1.488 3.200 -0.451 497 HD21 LEU 53 HD21 LEU 53 0.380 1.909 1.669 498 HD22 LEU 53 HD22 LEU 53 1.212 0.824 0.554 499 HD23 LEU 53 HD23 LEU 53 -0.537 1.020 0.454 500 H THR 54 H THR 54 -2.234 1.180 -0.672 501 HA THR 54 HA THR 54 -3.988 2.633 -2.494 502 HB THR 54 HB THR 54 -5.244 0.710 -0.583 503 HG1 THR 54 HG1 THR 54 -4.102 0.020 -3.116 504 HG21 THR 54 HG21 THR 54 -6.210 1.078 -3.332 505 HG22 THR 54 HG22 THR 54 -6.136 2.552 -2.377 506 HG23 THR 54 HG23 THR 54 -7.084 1.183 -1.805 507 H LEU 55 H LEU 55 -4.247 4.513 -1.600 508 HA LEU 55 HA LEU 55 -4.175 4.950 1.236 509 HB2 LEU 55 HB2 LEU 55 -4.947 6.972 -0.793 510 HB3 LEU 55 HB3 LEU 55 -4.029 7.188 0.666 511 HG LEU 55 HG LEU 55 -2.597 5.431 -1.076 512 HD11 LEU 55 HD11 LEU 55 -2.163 7.538 -2.655 513 HD12 LEU 55 HD12 LEU 55 -3.869 7.750 -2.293 514 HD13 LEU 55 HD13 LEU 55 -3.319 6.258 -3.031 515 HD21 LEU 55 HD21 LEU 55 -1.646 6.786 0.750 516 HD22 LEU 55 HD22 LEU 55 -1.971 8.238 -0.200 517 HD23 LEU 55 HD23 LEU 55 -0.830 7.031 -0.796 518 H TRP 56 H TRP 56 -5.946 5.935 2.423 519 HA TRP 56 HA TRP 56 -8.552 5.545 1.135 520 HB2 TRP 56 HB2 TRP 56 -7.541 4.394 3.689 521 HB3 TRP 56 HB3 TRP 56 -9.263 4.674 3.497 522 HD1 TRP 56 HD1 TRP 56 -6.427 2.444 2.292 523 HE1 TRP 56 HE1 TRP 56 -7.345 0.557 0.836 524 HE3 TRP 56 HE3 TRP 56 -11.285 4.055 1.885 525 HZ2 TRP 56 HZ2 TRP 56 -9.906 -0.196 -0.291 526 HZ3 TRP 56 HZ3 TRP 56 -12.862 2.696 0.608 527 HH2 TRP 56 HH2 TRP 56 -12.191 0.637 -0.456 528 H GLY 57 H GLY 57 -9.782 7.187 1.149 529 HA2 GLY 57 HA2 GLY 57 -10.971 9.013 1.726 530 HA3 GLY 57 HA3 GLY 57 -10.456 8.797 3.370 531 H LYS 58 H LYS 58 -8.667 10.062 4.134 532 HA LYS 58 HA LYS 58 -8.163 12.409 2.515 533 HB2 LYS 58 HB2 LYS 58 -6.709 12.988 4.645 534 HB3 LYS 58 HB3 LYS 58 -8.459 13.143 4.652 535 HG2 LYS 58 HG2 LYS 58 -7.918 12.092 6.670 536 HG3 LYS 58 HG3 LYS 58 -8.513 10.799 5.629 537 HD2 LYS 58 HD2 LYS 58 -5.891 10.704 5.038 538 HD3 LYS 58 HD3 LYS 58 -5.806 11.282 6.703 539 HE2 LYS 58 HE2 LYS 58 -7.503 8.930 5.952 540 HE3 LYS 58 HE3 LYS 58 -5.779 8.752 6.274 541 HZ1 LYS 58 HZ1 LYS 58 -7.063 8.330 8.263 542 HZ2 LYS 58 HZ2 LYS 58 -7.810 9.843 8.152 543 HZ3 LYS 58 HZ3 LYS 58 -6.152 9.741 8.469 544 H HIS 59 H HIS 59 -6.430 9.514 3.315 545 HA HIS 59 HA HIS 59 -3.821 10.449 2.698 546 HB2 HIS 59 HB2 HIS 59 -5.101 7.741 2.960 547 HB3 HIS 59 HB3 HIS 59 -3.483 7.898 2.292 548 HD2 HIS 59 HD2 HIS 59 -4.809 7.012 5.579 549 HE1 HIS 59 HE1 HIS 59 -1.427 9.428 6.456 550 HE2 HIS 59 HE2 HIS 59 -3.106 7.770 7.339 551 H ALA 60 H ALA 60 -6.562 9.521 0.861 552 HA ALA 60 HA ALA 60 -5.448 8.614 -1.508 553 HB1 ALA 60 HB1 ALA 60 -7.552 8.629 -2.267 554 HB2 ALA 60 HB2 ALA 60 -7.787 10.329 -1.853 555 HB3 ALA 60 HB3 ALA 60 -7.972 9.087 -0.612 556 H GLY 61 H GLY 61 -4.215 9.529 -3.009 557 HA2 GLY 61 HA2 GLY 61 -3.101 11.110 -4.219 558 HA3 GLY 61 HA3 GLY 61 -4.545 12.047 -4.075 559 H SER 62 H SER 62 -3.387 11.392 -1.012 560 HA SER 62 HA SER 62 -2.545 14.142 -0.698 561 HB2 SER 62 HB2 SER 62 -3.925 13.364 1.059 562 HB3 SER 62 HB3 SER 62 -2.991 11.863 1.229 563 HG SER 62 HG SER 62 -1.543 12.890 2.396 564 H ILE 63 H ILE 63 -1.044 11.113 -1.210 565 HA ILE 63 HA ILE 63 1.434 11.716 0.089 566 HB ILE 63 HB ILE 63 2.312 9.771 -1.328 567 HG12 ILE 63 HG12 ILE 63 -0.220 8.576 -1.807 568 HG13 ILE 63 HG13 ILE 63 -0.260 10.173 -2.545 569 HG21 ILE 63 HG21 ILE 63 1.254 8.138 0.119 570 HG22 ILE 63 HG22 ILE 63 -0.067 9.249 0.477 571 HG23 ILE 63 HG23 ILE 63 1.567 9.613 1.033 572 HD11 ILE 63 HD11 ILE 63 0.501 8.585 -4.160 573 HD12 ILE 63 HD12 ILE 63 1.746 7.994 -3.060 574 HD13 ILE 63 HD13 ILE 63 1.850 9.628 -3.716 575 H LYS 64 H LYS 64 3.514 11.521 -1.261 576 HA LYS 64 HA LYS 64 3.347 13.539 -3.378 577 HB2 LYS 64 HB2 LYS 64 5.271 12.931 -1.237 578 HB3 LYS 64 HB3 LYS 64 5.999 13.310 -2.793 579 HG2 LYS 64 HG2 LYS 64 4.597 15.392 -2.827 580 HG3 LYS 64 HG3 LYS 64 4.158 15.032 -1.157 581 HD2 LYS 64 HD2 LYS 64 6.796 14.836 -0.909 582 HD3 LYS 64 HD3 LYS 64 6.755 15.925 -2.297 583 HE2 LYS 64 HE2 LYS 64 5.526 17.556 -1.092 584 HE3 LYS 64 HE3 LYS 64 5.188 16.430 0.222 585 HZ1 LYS 64 HZ1 LYS 64 6.924 17.999 0.819 586 HZ2 LYS 64 HZ2 LYS 64 7.868 17.494 -0.490 587 HZ3 LYS 64 HZ3 LYS 64 7.538 16.422 0.776 588 H GLU 65 H GLU 65 5.570 13.244 -4.736 589 HA GLU 65 HA GLU 65 5.248 10.755 -6.172 590 HB2 GLU 65 HB2 GLU 65 6.093 13.446 -6.800 591 HB3 GLU 65 HB3 GLU 65 7.322 12.294 -7.302 592 HG2 GLU 65 HG2 GLU 65 5.886 11.215 -8.791 593 HG3 GLU 65 HG3 GLU 65 4.464 11.886 -7.979 594 H GLY 66 H GLY 66 7.717 10.215 -7.162 595 HA2 GLY 66 HA2 GLY 66 8.858 8.519 -5.395 596 HA3 GLY 66 HA3 GLY 66 9.782 9.323 -6.642 597 H GLN 67 H GLN 67 8.784 9.403 -3.301 598 HA GLN 67 HA GLN 67 11.183 10.891 -2.548 599 HB2 GLN 67 HB2 GLN 67 9.911 12.259 -0.978 600 HB3 GLN 67 HB3 GLN 67 9.316 12.530 -2.609 601 HG2 GLN 67 HG2 GLN 67 7.295 12.222 -1.772 602 HG3 GLN 67 HG3 GLN 67 7.704 10.509 -1.734 603 HE21 GLN 67 HE21 GLN 67 8.454 9.610 0.222 604 HE22 GLN 67 HE22 GLN 67 8.070 10.337 1.741 605 H VAL 68 H VAL 68 11.627 10.547 -0.124 606 HA VAL 68 HA VAL 68 11.228 7.777 0.426 607 HB VAL 68 HB VAL 68 12.574 9.727 2.267 608 HG11 VAL 68 HG11 VAL 68 12.593 6.836 1.745 609 HG12 VAL 68 HG12 VAL 68 12.375 7.673 3.275 610 HG13 VAL 68 HG13 VAL 68 13.978 7.570 2.546 611 HG21 VAL 68 HG21 VAL 68 14.653 9.265 1.122 612 HG22 VAL 68 HG22 VAL 68 13.486 10.076 0.060 613 HG23 VAL 68 HG23 VAL 68 13.739 8.303 -0.067 614 H VAL 69 H VAL 69 9.466 7.097 1.408 615 HA VAL 69 HA VAL 69 8.242 8.804 3.475 616 HB VAL 69 HB VAL 69 6.314 6.923 2.718 617 HG11 VAL 69 HG11 VAL 69 5.016 8.821 2.077 618 HG12 VAL 69 HG12 VAL 69 6.465 9.806 1.861 619 HG13 VAL 69 HG13 VAL 69 5.997 9.262 3.474 620 HG21 VAL 69 HG21 VAL 69 8.043 7.470 0.490 621 HG22 VAL 69 HG22 VAL 69 6.425 8.096 0.176 622 HG23 VAL 69 HG23 VAL 69 6.648 6.395 0.584 623 H LYS 70 H LYS 70 6.721 7.308 4.886 624 HA LYS 70 HA LYS 70 8.048 4.776 5.480 625 HB2 LYS 70 HB2 LYS 70 9.008 6.654 6.907 626 HB3 LYS 70 HB3 LYS 70 7.423 6.765 7.660 627 HG2 LYS 70 HG2 LYS 70 8.057 4.068 7.786 628 HG3 LYS 70 HG3 LYS 70 9.572 4.899 8.144 629 HD2 LYS 70 HD2 LYS 70 8.281 6.295 9.801 630 HD3 LYS 70 HD3 LYS 70 6.926 5.190 9.555 631 HE2 LYS 70 HE2 LYS 70 8.361 3.314 10.249 632 HE3 LYS 70 HE3 LYS 70 9.678 4.450 10.544 633 HZ1 LYS 70 HZ1 LYS 70 8.516 3.893 12.585 634 HZ2 LYS 70 HZ2 LYS 70 7.053 4.442 11.939 635 HZ3 LYS 70 HZ3 LYS 70 8.314 5.534 12.223 636 H ILE 71 H ILE 71 6.423 3.395 5.192 637 HA ILE 71 HA ILE 71 3.695 4.095 5.747 638 HB ILE 71 HB ILE 71 4.865 1.391 5.091 639 HG12 ILE 71 HG12 ILE 71 5.192 3.317 3.423 640 HG13 ILE 71 HG13 ILE 71 4.462 1.831 2.817 641 HG21 ILE 71 HG21 ILE 71 2.057 2.423 5.278 642 HG22 ILE 71 HG22 ILE 71 2.760 0.980 6.013 643 HG23 ILE 71 HG23 ILE 71 2.459 1.028 4.276 644 HD11 ILE 71 HD11 ILE 71 3.424 3.993 2.042 645 HD12 ILE 71 HD12 ILE 71 2.871 4.234 3.701 646 HD13 ILE 71 HD13 ILE 71 2.305 2.843 2.775 647 H GLU 72 H GLU 72 2.357 3.306 7.433 648 HA GLU 72 HA GLU 72 3.813 2.130 9.637 649 HB2 GLU 72 HB2 GLU 72 2.657 4.566 9.629 650 HB3 GLU 72 HB3 GLU 72 1.329 3.627 10.205 651 HG2 GLU 72 HG2 GLU 72 3.790 2.955 11.548 652 HG3 GLU 72 HG3 GLU 72 3.425 4.673 11.687 653 H ASN 73 H ASN 73 1.995 1.412 11.184 654 HA ASN 73 HA ASN 73 0.995 -1.019 10.406 655 HB2 ASN 73 HB2 ASN 73 1.057 0.436 12.698 656 HB3 ASN 73 HB3 ASN 73 -0.625 0.463 12.268 657 HD21 ASN 73 HD21 ASN 73 -1.811 -1.235 12.991 658 HD22 ASN 73 HD22 ASN 73 -1.200 -2.754 13.513 659 H ALA 74 H ALA 74 -0.124 -1.165 8.569 660 HA ALA 74 HA ALA 74 -2.785 0.102 8.546 661 HB1 ALA 74 HB1 ALA 74 -1.542 1.077 6.775 662 HB2 ALA 74 HB2 ALA 74 -2.605 -0.121 6.036 663 HB3 ALA 74 HB3 ALA 74 -0.895 -0.485 6.278 664 H TRP 75 H TRP 75 -1.915 -2.110 6.092 665 HA TRP 75 HA TRP 75 -2.396 -4.596 7.238 666 HB2 TRP 75 HB2 TRP 75 -4.736 -4.990 6.426 667 HB3 TRP 75 HB3 TRP 75 -4.605 -3.935 7.825 668 HD1 TRP 75 HD1 TRP 75 -5.414 -3.786 4.052 669 HE1 TRP 75 HE1 TRP 75 -6.754 -1.657 3.629 670 HE3 TRP 75 HE3 TRP 75 -5.067 -1.630 8.639 671 HZ2 TRP 75 HZ2 TRP 75 -7.520 0.616 5.006 672 HZ3 TRP 75 HZ3 TRP 75 -6.143 0.554 9.004 673 HH2 TRP 75 HH2 TRP 75 -7.380 1.648 7.191 674 H THR 76 H THR 76 -3.270 -6.155 5.598 675 HA THR 76 HA THR 76 -2.489 -5.406 2.890 676 HB THR 76 HB THR 76 -1.387 -7.726 2.750 677 HG1 THR 76 HG1 THR 76 -0.403 -8.229 4.890 678 HG21 THR 76 HG21 THR 76 0.773 -6.800 3.713 679 HG22 THR 76 HG22 THR 76 -0.166 -5.371 4.159 680 HG23 THR 76 HG23 THR 76 -0.024 -5.840 2.463 681 H THR 77 H THR 77 -3.751 -6.258 1.396 682 HA THR 77 HA THR 77 -5.521 -8.466 2.154 683 HB THR 77 HB THR 77 -7.461 -7.433 1.377 684 HG1 THR 77 HG1 THR 77 -6.208 -6.650 -0.593 685 HG21 THR 77 HG21 THR 77 -6.713 -6.296 3.433 686 HG22 THR 77 HG22 THR 77 -7.582 -5.182 2.378 687 HG23 THR 77 HG23 THR 77 -5.824 -5.120 2.465 688 H ALA 78 H ALA 78 -5.560 -10.072 0.656 689 HA ALA 78 HA ALA 78 -3.849 -9.729 -1.659 690 HB1 ALA 78 HB1 ALA 78 -3.602 -11.707 -0.251 691 HB2 ALA 78 HB2 ALA 78 -4.014 -12.138 -1.912 692 HB3 ALA 78 HB3 ALA 78 -5.247 -12.199 -0.652 693 H PHE 79 H PHE 79 -4.759 -8.777 -3.372 694 HA PHE 79 HA PHE 79 -7.453 -9.477 -4.158 695 HB2 PHE 79 HB2 PHE 79 -6.375 -7.073 -4.049 696 HB3 PHE 79 HB3 PHE 79 -5.753 -7.523 -5.650 697 HD1 PHE 79 HD1 PHE 79 -8.791 -7.157 -3.638 698 HD2 PHE 79 HD2 PHE 79 -7.157 -7.552 -7.523 699 HE1 PHE 79 HE1 PHE 79 -10.977 -6.717 -4.592 700 HE2 PHE 79 HE2 PHE 79 -9.344 -7.091 -8.493 701 HZ PHE 79 HZ PHE 79 -11.282 -6.671 -7.032 702 H LYS 80 H LYS 80 -7.797 -10.970 -5.634 703 HA LYS 80 HA LYS 80 -7.554 -12.428 -7.344 704 HB2 LYS 80 HB2 LYS 80 -5.564 -10.435 -8.434 705 HB3 LYS 80 HB3 LYS 80 -6.412 -11.676 -9.346 706 HG2 LYS 80 HG2 LYS 80 -7.842 -9.484 -7.881 707 HG3 LYS 80 HG3 LYS 80 -7.286 -9.314 -9.543 708 HD2 LYS 80 HD2 LYS 80 -8.659 -11.246 -10.188 709 HD3 LYS 80 HD3 LYS 80 -9.218 -11.395 -8.518 710 HE2 LYS 80 HE2 LYS 80 -10.177 -9.142 -8.645 711 HE3 LYS 80 HE3 LYS 80 -9.629 -9.005 -10.314 712 HZ1 LYS 80 HZ1 LYS 80 -11.948 -9.607 -10.235 713 HZ2 LYS 80 HZ2 LYS 80 -11.611 -10.963 -9.284 714 HZ3 LYS 80 HZ3 LYS 80 -11.055 -10.892 -10.879 715 H GLY 81 H GLY 81 -5.548 -12.413 -4.998 716 HA2 GLY 81 HA2 GLY 81 -4.237 -14.358 -4.522 717 HA3 GLY 81 HA3 GLY 81 -3.810 -14.447 -6.221 718 H GLN 82 H GLN 82 -3.428 -11.317 -5.845 719 HA GLN 82 HA GLN 82 -0.635 -11.604 -4.984 720 HB2 GLN 82 HB2 GLN 82 -1.074 -8.996 -5.972 721 HB3 GLN 82 HB3 GLN 82 -0.124 -10.277 -6.706 722 HG2 GLN 82 HG2 GLN 82 -1.581 -10.492 -8.358 723 HG3 GLN 82 HG3 GLN 82 -2.928 -10.650 -7.235 724 HE21 GLN 82 HE21 GLN 82 -2.530 -8.075 -5.998 725 HE22 GLN 82 HE22 GLN 82 -3.041 -6.885 -7.140 726 H VAL 83 H VAL 83 0.177 -10.445 -3.280 727 HA VAL 83 HA VAL 83 -1.710 -9.469 -1.386 728 HB VAL 83 HB VAL 83 1.250 -8.923 -1.220 729 HG11 VAL 83 HG11 VAL 83 0.419 -9.643 1.251 730 HG12 VAL 83 HG12 VAL 83 -1.035 -8.878 0.606 731 HG13 VAL 83 HG13 VAL 83 0.481 -7.983 0.657 732 HG21 VAL 83 HG21 VAL 83 1.009 -11.271 -1.838 733 HG22 VAL 83 HG22 VAL 83 -0.129 -11.508 -0.513 734 HG23 VAL 83 HG23 VAL 83 1.555 -11.109 -0.169 735 H GLN 84 H GLN 84 -1.835 -7.306 -0.513 736 HA GLN 84 HA GLN 84 -0.700 -5.182 -2.155 737 HB2 GLN 84 HB2 GLN 84 -3.214 -6.008 -2.755 738 HB3 GLN 84 HB3 GLN 84 -3.565 -4.795 -1.533 739 HG2 GLN 84 HG2 GLN 84 -2.447 -3.103 -2.792 740 HG3 GLN 84 HG3 GLN 84 -1.850 -4.291 -3.948 741 HE21 GLN 84 HE21 GLN 84 -4.523 -2.365 -2.935 742 HE22 GLN 84 HE22 GLN 84 -5.573 -2.733 -4.286 743 H LEU 85 H LEU 85 -1.045 -3.028 -1.140 744 HA LEU 85 HA LEU 85 -1.301 -3.253 1.788 745 HB2 LEU 85 HB2 LEU 85 1.019 -2.830 0.438 746 HB3 LEU 85 HB3 LEU 85 0.505 -1.185 0.736 747 HG LEU 85 HG LEU 85 0.267 -2.683 3.167 748 HD11 LEU 85 HD11 LEU 85 2.643 -3.207 3.512 749 HD12 LEU 85 HD12 LEU 85 2.961 -2.832 1.819 750 HD13 LEU 85 HD13 LEU 85 1.926 -4.195 2.240 751 HD21 LEU 85 HD21 LEU 85 1.879 -0.959 3.930 752 HD22 LEU 85 HD22 LEU 85 0.488 -0.290 3.076 753 HD23 LEU 85 HD23 LEU 85 2.044 -0.425 2.257 754 H ASN 86 H ASN 86 -2.149 -1.419 2.873 755 HA ASN 86 HA ASN 86 -3.240 0.718 1.143 756 HB2 ASN 86 HB2 ASN 86 -4.804 -0.622 3.357 757 HB3 ASN 86 HB3 ASN 86 -5.380 0.615 2.272 758 HD21 ASN 86 HD21 ASN 86 -4.124 -2.620 2.393 759 HD22 ASN 86 HD22 ASN 86 -4.969 -3.211 1.006 760 H ALA 87 H ALA 87 -4.132 2.545 2.521 761 HA ALA 87 HA ALA 87 -2.841 2.607 5.147 762 HB1 ALA 87 HB1 ALA 87 -2.656 4.894 3.201 763 HB2 ALA 87 HB2 ALA 87 -1.368 3.722 3.477 764 HB3 ALA 87 HB3 ALA 87 -1.894 4.778 4.788 765 H GLY 88 H GLY 88 -4.342 3.017 6.582 766 HA2 GLY 88 HA2 GLY 88 -6.513 4.865 5.898 767 HA3 GLY 88 HA3 GLY 88 -6.713 3.490 6.885 768 H SER 89 H SER 89 -7.131 4.017 8.893 769 HA SER 89 HA SER 89 -6.290 6.558 9.888 770 HB2 SER 89 HB2 SER 89 -7.884 4.342 11.191 771 HB3 SER 89 HB3 SER 89 -7.567 5.903 11.947 772 HG SER 89 HG SER 89 -9.588 5.453 10.542 773 H LYS 90 H LYS 90 -5.683 3.191 11.195 774 HA LYS 90 HA LYS 90 -3.882 4.224 13.161 775 HB2 LYS 90 HB2 LYS 90 -3.284 1.993 13.753 776 HB3 LYS 90 HB3 LYS 90 -4.997 1.980 13.447 777 HG2 LYS 90 HG2 LYS 90 -3.428 1.284 11.108 778 HG3 LYS 90 HG3 LYS 90 -3.171 0.216 12.478 779 HD2 LYS 90 HD2 LYS 90 -5.903 0.549 12.457 780 HD3 LYS 90 HD3 LYS 90 -5.486 0.484 10.745 781 HE2 LYS 90 HE2 LYS 90 -4.936 -1.687 10.837 782 HE3 LYS 90 HE3 LYS 90 -4.103 -1.507 12.379 783 HZ1 LYS 90 HZ1 LYS 90 -6.306 -1.463 13.458 784 HZ2 LYS 90 HZ2 LYS 90 -5.979 -2.926 12.676 785 HZ3 LYS 90 HZ3 LYS 90 -7.025 -1.802 11.964 786 H THR 91 H THR 91 -3.582 4.184 9.982 787 HA THR 91 HA THR 91 -0.713 3.591 9.908 788 HB THR 91 HB THR 91 -2.362 4.470 7.542 789 HG1 THR 91 HG1 THR 91 -2.369 1.906 8.767 790 HG21 THR 91 HG21 THR 91 -0.040 2.561 7.849 791 HG22 THR 91 HG22 THR 91 0.044 4.217 7.246 792 HG23 THR 91 HG23 THR 91 -0.825 2.988 6.329 793 H LYS 92 H LYS 92 0.693 5.275 9.961 794 HA LYS 92 HA LYS 92 -0.307 7.968 9.294 795 HB2 LYS 92 HB2 LYS 92 1.125 6.986 11.648 796 HB3 LYS 92 HB3 LYS 92 1.926 8.357 10.893 797 HG2 LYS 92 HG2 LYS 92 0.492 9.246 12.533 798 HG3 LYS 92 HG3 LYS 92 -0.287 9.555 10.981 799 HD2 LYS 92 HD2 LYS 92 -1.721 7.587 11.326 800 HD3 LYS 92 HD3 LYS 92 -0.955 7.316 12.894 801 HE2 LYS 92 HE2 LYS 92 -1.730 9.543 13.621 802 HE3 LYS 92 HE3 LYS 92 -2.549 9.743 12.073 803 HZ1 LYS 92 HZ1 LYS 92 -4.085 9.005 13.770 804 HZ2 LYS 92 HZ2 LYS 92 -3.134 7.645 14.092 805 HZ3 LYS 92 HZ3 LYS 92 -3.904 7.800 12.595 806 H ILE 93 H ILE 93 0.520 8.516 7.348 807 HA ILE 93 HA ILE 93 3.139 7.433 6.611 808 HB ILE 93 HB ILE 93 1.453 9.128 4.797 809 HG12 ILE 93 HG12 ILE 93 1.146 6.137 5.185 810 HG13 ILE 93 HG13 ILE 93 -0.002 7.346 5.743 811 HG21 ILE 93 HG21 ILE 93 3.737 8.592 4.117 812 HG22 ILE 93 HG22 ILE 93 2.553 7.814 3.058 813 HG23 ILE 93 HG23 ILE 93 3.387 6.870 4.293 814 HD11 ILE 93 HD11 ILE 93 0.696 6.643 2.910 815 HD12 ILE 93 HD12 ILE 93 -0.245 8.067 3.358 816 HD13 ILE 93 HD13 ILE 93 -0.852 6.454 3.737 817 H ALA 94 H ALA 94 4.914 8.660 6.158 818 HA ALA 94 HA ALA 94 4.875 11.555 5.949 819 HB1 ALA 94 HB1 ALA 94 6.197 11.983 7.902 820 HB2 ALA 94 HB2 ALA 94 5.949 10.315 8.494 821 HB3 ALA 94 HB3 ALA 94 4.573 11.427 8.371 822 H GLU 95 H GLU 95 6.822 12.479 5.322 823 HA GLU 95 HA GLU 95 8.566 10.832 3.861 824 HB2 GLU 95 HB2 GLU 95 9.283 13.635 4.705 825 HB3 GLU 95 HB3 GLU 95 9.536 12.701 3.400 826 HG2 GLU 95 HG2 GLU 95 8.104 13.790 2.374 827 HG3 GLU 95 HG3 GLU 95 6.985 12.748 3.074 828 H ALA 96 H ALA 96 10.440 9.990 4.292 829 HA ALA 96 HA ALA 96 11.604 10.400 6.984 830 HB1 ALA 96 HB1 ALA 96 12.036 8.107 7.285 831 HB2 ALA 96 HB2 ALA 96 11.702 7.747 5.584 832 HB3 ALA 96 HB3 ALA 96 10.378 8.181 6.679 833 H SER 97 H SER 97 13.784 10.653 7.080 834 HA SER 97 HA SER 97 15.226 10.584 4.513 835 HB2 SER 97 HB2 SER 97 16.819 12.169 5.680 836 HB3 SER 97 HB3 SER 97 15.240 12.790 5.318 837 HG SER 97 HG SER 97 15.423 11.568 7.772 838 H GLU 98 H GLU 98 16.788 9.132 4.269 839 HA GLU 98 HA GLU 98 18.091 8.041 6.672 840 HB2 GLU 98 HB2 GLU 98 17.117 6.494 4.261 841 HB3 GLU 98 HB3 GLU 98 18.120 5.810 5.508 842 HG2 GLU 98 HG2 GLU 98 15.705 7.073 6.489 843 HG3 GLU 98 HG3 GLU 98 15.489 5.625 5.507 844 H ASP 99 H ASP 99 19.799 6.270 5.099 845 HA ASP 99 HA ASP 99 21.781 8.127 4.336 846 HB2 ASP 99 HB2 ASP 99 21.626 5.135 4.529 847 HB3 ASP 99 HB3 ASP 99 22.997 5.904 3.734 848 H GLY 100 H GLY 100 19.201 7.752 2.718 849 HA2 GLY 100 HA2 GLY 100 19.032 8.322 0.419 850 HA3 GLY 100 HA3 GLY 100 20.589 7.568 0.112 851 H PHE 101 H PHE 101 17.177 6.954 0.713 852 HA PHE 101 HA PHE 101 17.204 4.166 0.419 853 HB2 PHE 101 HB2 PHE 101 15.272 6.139 0.845 854 HB3 PHE 101 HB3 PHE 101 14.800 5.377 -0.670 855 HD1 PHE 101 HD2 PHE 101 15.898 4.453 2.778 856 HD2 PHE 101 HD1 PHE 101 13.458 3.517 -0.580 857 HE1 PHE 101 HE2 PHE 101 14.916 2.581 4.021 858 HE2 PHE 101 HE1 PHE 101 12.448 1.679 0.623 859 HZ PHE 101 HZ PHE 101 13.190 1.176 2.971 860 HA PRO 102 HA PRO 102 18.103 3.318 -3.821 861 HB2 PRO 102 HB2 PRO 102 15.690 1.564 -3.729 862 HB3 PRO 102 HB3 PRO 102 17.338 1.187 -4.257 863 HG2 PRO 102 HG2 PRO 102 16.471 0.329 -1.906 864 HG3 PRO 102 HG3 PRO 102 18.131 0.931 -2.097 865 HD2 PRO 102 HD2 PRO 102 15.773 2.251 -0.836 866 HD3 PRO 102 HD3 PRO 102 17.498 2.328 -0.388 867 H GLU 103 H GLU 103 17.507 4.045 -5.813 868 HA GLU 103 HA GLU 103 15.307 5.864 -5.969 869 HB2 GLU 103 HB2 GLU 103 17.653 5.826 -7.209 870 HB3 GLU 103 HB3 GLU 103 16.735 4.942 -8.419 871 HG2 GLU 103 HG2 GLU 103 15.266 6.762 -8.770 872 HG3 GLU 103 HG3 GLU 103 15.871 7.611 -7.348 873 H SER 104 H SER 104 13.660 5.789 -7.675 874 HA SER 104 HA SER 104 12.187 3.386 -7.587 875 HB2 SER 104 HB2 SER 104 11.746 5.551 -9.636 876 HB3 SER 104 HB3 SER 104 10.549 4.506 -8.870 877 HG SER 104 HG SER 104 12.052 6.556 -7.604 878 H SER 105 H SER 105 14.549 4.610 -9.817 879 HA SER 105 HA SER 105 13.864 2.759 -11.923 880 HB2 SER 105 HB2 SER 105 15.430 5.121 -11.702 881 HB3 SER 105 HB3 SER 105 16.493 3.831 -12.265 882 HG SER 105 HG SER 105 15.375 3.673 -14.078 883 H GLN 106 H GLN 106 15.387 2.440 -9.008 884 HA GLN 106 HA GLN 106 16.956 0.137 -9.970 885 HB2 GLN 106 HB2 GLN 106 17.625 1.820 -7.565 886 HB3 GLN 106 HB3 GLN 106 18.589 0.555 -8.247 887 HG2 GLN 106 HG2 GLN 106 18.641 2.044 -10.365 888 HG3 GLN 106 HG3 GLN 106 18.067 3.309 -9.280 889 HE21 GLN 106 HE21 GLN 106 20.427 0.696 -8.872 890 HE22 GLN 106 HE22 GLN 106 21.743 1.719 -8.424 891 H ILE 107 H ILE 107 14.191 0.795 -8.617 892 HA ILE 107 HA ILE 107 14.387 -0.983 -6.308 893 HB ILE 107 HB ILE 107 12.360 0.988 -7.262 894 HG12 ILE 107 HG12 ILE 107 13.173 0.373 -4.435 895 HG13 ILE 107 HG13 ILE 107 14.222 1.318 -5.489 896 HG21 ILE 107 HG21 ILE 107 10.663 0.117 -5.738 897 HG22 ILE 107 HG22 ILE 107 11.699 -1.270 -5.360 898 HG23 ILE 107 HG23 ILE 107 11.048 -1.060 -6.994 899 HD11 ILE 107 HD11 ILE 107 11.462 2.231 -5.436 900 HD12 ILE 107 HD12 ILE 107 12.979 3.127 -5.311 901 HD13 ILE 107 HD13 ILE 107 12.294 2.323 -3.881 902 HA PRO 108 HA PRO 108 13.229 -4.509 -8.837 903 HB2 PRO 108 HB2 PRO 108 12.371 -5.518 -6.167 904 HB3 PRO 108 HB3 PRO 108 13.395 -6.292 -7.386 905 HG2 PRO 108 HG2 PRO 108 14.487 -5.264 -5.206 906 HG3 PRO 108 HG3 PRO 108 15.277 -5.087 -6.787 907 HD2 PRO 108 HD2 PRO 108 13.735 -3.074 -5.215 908 HD3 PRO 108 HD3 PRO 108 15.179 -2.857 -6.227 909 H GLU 109 H GLU 109 11.279 -5.791 -9.217 910 HA GLU 109 HA GLU 109 8.827 -4.342 -8.454 911 HB2 GLU 109 HB2 GLU 109 7.927 -5.155 -10.696 912 HB3 GLU 109 HB3 GLU 109 9.136 -3.879 -10.755 913 HG2 GLU 109 HG2 GLU 109 10.830 -5.396 -11.429 914 HG3 GLU 109 HG3 GLU 109 9.799 -6.788 -11.102 915 H ASN 110 H ASN 110 10.382 -6.956 -7.656 916 HA ASN 110 HA ASN 110 8.817 -9.182 -8.198 917 HB2 ASN 110 HB2 ASN 110 11.073 -8.817 -6.806 918 HB3 ASN 110 HB3 ASN 110 9.947 -8.935 -5.456 919 HD21 ASN 110 HD21 ASN 110 11.830 -10.635 -7.633 920 HD22 ASN 110 HD22 ASN 110 11.179 -12.212 -7.363 921 H THR 111 H THR 111 6.800 -9.704 -7.717 922 HA THR 111 HA THR 111 5.304 -8.095 -5.820 923 HB THR 111 HB THR 111 3.675 -10.173 -6.868 924 HG1 THR 111 HG1 THR 111 5.456 -9.009 -8.751 925 HG21 THR 111 HG21 THR 111 3.006 -7.849 -6.301 926 HG22 THR 111 HG22 THR 111 2.479 -8.345 -7.910 927 HG23 THR 111 HG23 THR 111 3.874 -7.284 -7.727 928 HA PRO 112 HA PRO 112 6.161 -11.148 -2.608 929 HB2 PRO 112 HB2 PRO 112 4.060 -9.570 -1.230 930 HB3 PRO 112 HB3 PRO 112 5.678 -10.026 -0.677 931 HG2 PRO 112 HG2 PRO 112 5.197 -7.534 -1.431 932 HG3 PRO 112 HG3 PRO 112 6.724 -8.334 -1.864 933 HD2 PRO 112 HD2 PRO 112 4.324 -7.822 -3.567 934 HD3 PRO 112 HD3 PRO 112 6.048 -7.702 -3.974 935 H THR 113 H THR 113 5.182 -13.050 -2.117 936 HA THR 113 HA THR 113 2.294 -13.317 -2.198 937 HB THR 113 HB THR 113 3.477 -15.476 -3.752 938 HG1 THR 113 HG1 THR 113 3.649 -14.020 -5.660 939 HG21 THR 113 HG21 THR 113 1.070 -15.060 -3.549 940 HG22 THR 113 HG22 THR 113 1.592 -14.985 -5.232 941 HG23 THR 113 HG23 THR 113 1.272 -13.497 -4.342 942 H ALA 114 H ALA 114 1.690 -14.586 -0.572 943 HA ALA 114 HA ALA 114 3.545 -15.918 1.088 944 HB1 ALA 114 HB1 ALA 114 1.596 -16.744 2.296 945 HB2 ALA 114 HB2 ALA 114 0.548 -16.234 0.973 946 HB3 ALA 114 HB3 ALA 114 1.424 -15.031 1.919 947 H ARG 115 H ARG 115 3.398 -18.250 1.678 948 HA ARG 115 HA ARG 115 3.542 -19.849 -0.738 949 HB2 ARG 115 HB2 ARG 115 4.379 -21.623 0.843 950 HB3 ARG 115 HB3 ARG 115 5.354 -20.163 0.778 951 HG2 ARG 115 HG2 ARG 115 4.196 -19.380 2.840 952 HG3 ARG 115 HG3 ARG 115 3.406 -20.955 2.930 953 HD2 ARG 115 HD2 ARG 115 5.421 -20.787 4.358 954 HD3 ARG 115 HD3 ARG 115 5.528 -22.063 3.148 955 HE ARG 115 HE ARG 115 6.797 -19.438 2.734 956 HH11 ARG 115 HH11 ARG 115 6.955 -22.918 2.863 957 HH12 ARG 115 HH12 ARG 115 8.569 -22.997 2.244 958 HH21 ARG 115 HH21 ARG 115 8.924 -19.533 1.916 959 HH22 ARG 115 HH22 ARG 115 9.690 -21.072 1.706 960 H ARG 116 H ARG 116 2.246 -21.552 -1.257 961 HA ARG 116 HA ARG 116 -0.153 -21.919 0.415 962 HB2 ARG 116 HB2 ARG 116 0.242 -22.031 -2.567 963 HB3 ARG 116 HB3 ARG 116 -1.151 -22.779 -1.798 964 HG2 ARG 116 HG2 ARG 116 -1.727 -20.577 -0.815 965 HG3 ARG 116 HG3 ARG 116 -0.403 -19.866 -1.741 966 HD2 ARG 116 HD2 ARG 116 -2.154 -21.496 -3.385 967 HD3 ARG 116 HD3 ARG 116 -3.019 -20.185 -2.585 968 HE ARG 116 HE ARG 116 -1.137 -19.954 -4.723 969 HH11 ARG 116 HH11 ARG 116 -2.455 -18.322 -1.940 970 HH12 ARG 116 HH12 ARG 116 -2.101 -16.736 -2.541 971 HH21 ARG 116 HH21 ARG 116 -0.667 -17.871 -5.522 972 HH22 ARG 116 HH22 ARG 116 -1.085 -16.479 -4.578 973 H ARG 117 H ARG 117 -0.982 -24.016 0.701 974 HA ARG 117 HA ARG 117 1.037 -26.065 0.775 975 HB2 ARG 117 HB2 ARG 117 -1.886 -26.409 1.421 976 HB3 ARG 117 HB3 ARG 117 -0.529 -27.353 2.017 977 HG2 ARG 117 HG2 ARG 117 0.259 -25.449 3.302 978 HG3 ARG 117 HG3 ARG 117 -1.064 -24.465 2.674 979 HD2 ARG 117 HD2 ARG 117 -1.745 -27.030 4.006 980 HD3 ARG 117 HD3 ARG 117 -1.211 -25.691 5.021 981 HE ARG 117 HE ARG 117 -3.164 -24.716 3.292 982 HH11 ARG 117 HH11 ARG 117 -2.895 -26.994 5.917 983 HH12 ARG 117 HH12 ARG 117 -4.532 -26.779 6.441 984 HH21 ARG 117 HH21 ARG 117 -5.319 -24.427 3.977 985 HH22 ARG 117 HH22 ARG 117 -5.910 -25.320 5.337 Start of MODEL 10 1 H5' DT 1 H5' DT 1 -11.019 2.681 9.996 2 H5'' DT 1 H5'' DT 1 -10.208 3.357 11.423 3 H4' DT 1 H4' DT 1 -9.711 0.508 10.734 4 H3' DT 1 H3' DT 1 -12.391 1.490 11.609 5 H2' DT 1 H2' DT 1 -12.527 -0.194 13.313 6 H2'' DT 1 H2'' DT 1 -11.208 -1.131 12.624 7 H1' DT 1 H1' DT 1 -9.935 0.031 14.240 8 H3 DT 1 H3 DT 1 -12.748 2.059 17.279 9 H71 DT 1 H71 DT 1 -11.987 6.085 15.278 10 H72 DT 1 H72 DT 1 -10.494 5.757 14.367 11 H73 DT 1 H73 DT 1 -12.075 5.622 13.562 12 H6 DT 1 H6 DT 1 -10.602 3.311 13.207 13 HO5' DT 1 HO5' DT 1 -9.114 2.287 9.064 14 H5' DT 2 H5' DT 2 -13.466 1.285 7.044 15 H5'' DT 2 H5'' DT 2 -14.521 -0.119 6.780 16 H4' DT 2 H4' DT 2 -13.190 0.155 4.842 17 H3' DT 2 H3' DT 2 -12.402 -2.194 6.525 18 H2' DT 2 H2' DT 2 -10.651 -2.717 4.957 19 H2'' DT 2 H2'' DT 2 -11.289 -1.623 3.741 20 H1' DT 2 H1' DT 2 -9.693 -0.140 4.739 21 H3 DT 2 H3 DT 2 -8.884 -0.299 9.690 22 H71 DT 2 H71 DT 2 -6.845 -4.209 8.229 23 H72 DT 2 H72 DT 2 -7.406 -4.395 6.552 24 H73 DT 2 H73 DT 2 -8.466 -4.865 7.901 25 H6 DT 2 H6 DT 2 -8.909 -2.760 5.618 26 H5' DT 3 H5' DT 3 -13.774 -5.291 1.745 27 H5'' DT 3 H5'' DT 3 -12.482 -4.365 2.538 28 H4' DT 3 H4' DT 3 -14.603 -3.416 0.633 29 H3' DT 3 H3' DT 3 -11.963 -4.124 0.134 30 H2' DT 3 H2' DT 3 -11.023 -2.214 1.276 31 H2'' DT 3 H2'' DT 3 -11.191 -1.593 -0.360 32 H1' DT 3 H1' DT 3 -13.499 -0.794 0.151 33 H3 DT 3 H3 DT 3 -13.863 2.861 2.690 34 H71 DT 3 H71 DT 3 -9.242 2.495 3.604 35 H72 DT 3 H72 DT 3 -8.986 0.737 3.516 36 H73 DT 3 H73 DT 3 -9.868 1.440 4.893 37 H6 DT 3 H6 DT 3 -10.496 -0.474 2.195 38 H5' DT 4 H5' DT 4 -14.561 -2.246 -3.188 39 H5'' DT 4 H5'' DT 4 -14.290 -2.533 -4.919 40 H4' DT 4 H4' DT 4 -13.453 -0.342 -3.847 41 H3' DT 4 H3' DT 4 -12.230 -1.958 -5.952 42 H2' DT 4 H2' DT 4 -10.014 -1.598 -5.339 43 H2'' DT 4 H2'' DT 4 -10.318 0.135 -5.324 44 H1' DT 4 H1' DT 4 -10.689 0.248 -3.059 45 H3 DT 4 H3 DT 4 -6.308 -1.690 -2.880 46 H71 DT 4 H71 DT 4 -8.829 -3.424 0.960 47 H72 DT 4 H72 DT 4 -10.057 -4.277 -0.005 48 H73 DT 4 H73 DT 4 -8.358 -4.805 -0.058 49 H6 DT 4 H6 DT 4 -10.775 -2.557 -1.464 50 H5' DT 5 H5' DT 5 -12.978 -1.237 -9.381 51 H5'' DT 5 H5'' DT 5 -12.646 -2.601 -8.294 52 H4' DT 5 H4' DT 5 -11.300 -1.759 -10.796 53 H3' DT 5 H3' DT 5 -12.757 -3.950 -10.293 54 H2' DT 5 H2' DT 5 -11.455 -4.900 -8.533 55 H2'' DT 5 H2'' DT 5 -10.700 -5.674 -9.919 56 H1' DT 5 H1' DT 5 -8.866 -4.171 -9.955 57 H3 DT 5 H3 DT 5 -6.213 -4.697 -6.420 58 H71 DT 5 H71 DT 5 -10.209 -2.982 -3.954 59 H72 DT 5 H72 DT 5 -9.747 -4.629 -3.467 60 H73 DT 5 H73 DT 5 -11.181 -4.374 -4.488 61 H6 DT 5 H6 DT 5 -10.877 -3.825 -6.851 62 H5' DT 6 H5' DT 6 -9.913 -5.508 -14.277 63 H5'' DT 6 H5'' DT 6 -9.416 -7.159 -13.848 64 H4' DT 6 H4' DT 6 -8.911 -4.688 -12.187 65 H3' DT 6 H3' DT 6 -7.214 -5.964 -14.284 66 HO3' DT 6 HO3' DT 6 -8.176 -3.603 -13.667 67 H2' DT 6 H2' DT 6 -5.264 -5.830 -12.888 68 H2'' DT 6 H2'' DT 6 -6.030 -4.712 -11.766 69 H1' DT 6 H1' DT 6 -6.445 -6.721 -10.571 70 H3 DT 6 H3 DT 6 -4.065 -10.255 -12.251 71 H71 DT 6 H71 DT 6 -8.856 -9.995 -14.687 72 H72 DT 6 H72 DT 6 -8.615 -11.454 -13.696 73 H73 DT 6 H73 DT 6 -7.611 -11.184 -15.141 74 H6 DT 6 H6 DT 6 -8.323 -8.295 -13.130 75 H1 MET 1 H MET 1 10.752 -2.378 15.406 76 H1 MET 1 HT1 MET 1 10.422 -1.318 14.129 77 H2 MET 1 H2 MET 1 10.971 -2.886 13.809 78 HA MET 1 HA MET 1 8.967 -3.836 14.688 79 HB2 MET 1 HB2 MET 1 8.239 -0.947 15.190 80 HB3 MET 1 HB3 MET 1 7.079 -2.267 15.245 81 HG2 MET 1 HG2 MET 1 9.132 -3.109 16.895 82 HG3 MET 1 HG3 MET 1 8.980 -1.386 17.234 83 HE1 MET 1 HE1 MET 1 8.539 -3.068 19.641 84 HE2 MET 1 HE2 MET 1 8.141 -4.512 18.710 85 HE3 MET 1 HE3 MET 1 6.983 -3.867 19.873 86 H GLU 2 H GLU 2 10.219 -2.472 12.221 87 HA GLU 2 HA GLU 2 7.760 -2.440 10.602 88 HB2 GLU 2 HB2 GLU 2 9.283 -1.087 8.977 89 HB3 GLU 2 HB3 GLU 2 8.546 -0.275 10.351 90 HG2 GLU 2 HG2 GLU 2 11.095 -1.375 11.091 91 HG3 GLU 2 HG3 GLU 2 11.250 -0.355 9.661 92 H GLU 3 H GLU 3 7.589 -3.915 9.041 93 HA GLU 3 HA GLU 3 9.882 -5.657 8.546 94 HB2 GLU 3 HB2 GLU 3 8.366 -7.295 7.812 95 HB3 GLU 3 HB3 GLU 3 7.575 -6.535 9.186 96 HG2 GLU 3 HG2 GLU 3 6.496 -5.033 7.321 97 HG3 GLU 3 HG3 GLU 3 6.895 -6.411 6.295 98 H LYS 4 H LYS 4 9.949 -6.597 6.233 99 HA LYS 4 HA LYS 4 10.098 -4.259 4.391 100 HB2 LYS 4 HB2 LYS 4 11.397 -6.022 3.008 101 HB3 LYS 4 HB3 LYS 4 12.167 -5.269 4.397 102 HG2 LYS 4 HG2 LYS 4 10.706 -7.798 4.864 103 HG3 LYS 4 HG3 LYS 4 12.223 -7.887 3.969 104 HD2 LYS 4 HD2 LYS 4 12.266 -6.231 6.409 105 HD3 LYS 4 HD3 LYS 4 12.051 -7.964 6.665 106 HE2 LYS 4 HE2 LYS 4 14.054 -7.979 4.854 107 HE3 LYS 4 HE3 LYS 4 14.392 -6.464 5.687 108 HZ1 LYS 4 HZ1 LYS 4 14.079 -9.118 6.984 109 HZ2 LYS 4 HZ2 LYS 4 14.404 -7.664 7.785 110 HZ3 LYS 4 HZ3 LYS 4 15.545 -8.315 6.718 111 H VAL 5 H VAL 5 9.770 -4.929 2.021 112 HA VAL 5 HA VAL 5 7.047 -5.744 1.738 113 HB VAL 5 HB VAL 5 9.131 -5.230 -0.392 114 HG11 VAL 5 HG11 VAL 5 7.350 -6.504 -1.344 115 HG12 VAL 5 HG12 VAL 5 7.137 -4.822 -1.837 116 HG13 VAL 5 HG13 VAL 5 6.136 -5.498 -0.553 117 HG21 VAL 5 HG21 VAL 5 7.022 -3.403 0.756 118 HG22 VAL 5 HG22 VAL 5 8.109 -3.017 -0.578 119 HG23 VAL 5 HG23 VAL 5 8.760 -3.287 1.040 120 H GLY 6 H GLY 6 10.176 -7.242 1.118 121 HA2 GLY 6 HA2 GLY 6 9.070 -9.531 -0.218 122 HA3 GLY 6 HA3 GLY 6 10.730 -9.339 0.326 123 H ASN 7 H ASN 7 8.754 -8.649 2.894 124 HA ASN 7 HA ASN 7 8.714 -11.445 3.807 125 HB2 ASN 7 HB2 ASN 7 10.542 -9.808 4.741 126 HB3 ASN 7 HB3 ASN 7 9.217 -9.218 5.738 127 HD21 ASN 7 HD21 ASN 7 9.635 -9.979 7.685 128 HD22 ASN 7 HD22 ASN 7 9.953 -11.599 8.074 129 H LEU 8 H LEU 8 6.847 -8.879 3.037 130 HA LEU 8 HA LEU 8 5.046 -8.865 5.288 131 HB2 LEU 8 HB2 LEU 8 3.997 -7.135 4.259 132 HB3 LEU 8 HB3 LEU 8 5.529 -7.042 3.414 133 HG LEU 8 HG LEU 8 4.167 -8.742 1.790 134 HD11 LEU 8 HD11 LEU 8 2.005 -8.772 2.366 135 HD12 LEU 8 HD12 LEU 8 1.957 -7.106 1.683 136 HD13 LEU 8 HD13 LEU 8 2.204 -7.353 3.432 137 HD21 LEU 8 HD21 LEU 8 5.385 -6.886 0.957 138 HD22 LEU 8 HD22 LEU 8 4.305 -5.741 1.755 139 HD23 LEU 8 HD23 LEU 8 3.719 -6.708 0.402 140 H LYS 9 H LYS 9 2.847 -9.647 5.246 141 HA LYS 9 HA LYS 9 2.162 -11.549 3.210 142 HB2 LYS 9 HB2 LYS 9 1.550 -13.081 4.734 143 HB3 LYS 9 HB3 LYS 9 3.117 -12.605 5.161 144 HG2 LYS 9 HG2 LYS 9 2.401 -12.089 7.236 145 HG3 LYS 9 HG3 LYS 9 1.167 -11.069 6.538 146 HD2 LYS 9 HD2 LYS 9 -0.229 -12.555 7.549 147 HD3 LYS 9 HD3 LYS 9 0.061 -13.469 6.067 148 HE2 LYS 9 HE2 LYS 9 0.787 -15.127 7.366 149 HE3 LYS 9 HE3 LYS 9 2.199 -14.128 7.702 150 HZ1 LYS 9 HZ1 LYS 9 1.041 -13.206 9.615 151 HZ2 LYS 9 HZ2 LYS 9 1.160 -14.888 9.738 152 HZ3 LYS 9 HZ3 LYS 9 -0.308 -14.175 9.293 153 HA PRO 10 HA PRO 10 -1.743 -9.492 3.363 154 HB2 PRO 10 HB2 PRO 10 -3.396 -11.352 2.346 155 HB3 PRO 10 HB3 PRO 10 -2.187 -10.535 1.386 156 HG2 PRO 10 HG2 PRO 10 -2.112 -13.260 2.597 157 HG3 PRO 10 HG3 PRO 10 -1.541 -12.749 0.997 158 HD2 PRO 10 HD2 PRO 10 0.184 -13.063 3.143 159 HD3 PRO 10 HD3 PRO 10 0.452 -12.006 1.793 160 H ASN 11 H ASN 11 -3.935 -9.621 4.212 161 HA ASN 11 HA ASN 11 -5.533 -10.092 5.794 162 HB2 ASN 11 HB2 ASN 11 -4.149 -12.671 5.520 163 HB3 ASN 11 HB3 ASN 11 -4.954 -12.442 7.070 164 HD21 ASN 11 HD21 ASN 11 -5.405 -12.466 3.588 165 HD22 ASN 11 HD22 ASN 11 -7.119 -12.817 3.629 166 H MET 12 H MET 12 -2.916 -8.741 6.449 167 HA MET 12 HA MET 12 -2.852 -9.233 9.300 168 HB2 MET 12 HB2 MET 12 -0.925 -7.824 7.453 169 HB3 MET 12 HB3 MET 12 -0.774 -7.911 9.154 170 HG2 MET 12 HG2 MET 12 -1.053 -10.529 8.557 171 HG3 MET 12 HG3 MET 12 -0.223 -9.885 7.151 172 HE1 MET 12 HE1 MET 12 2.198 -9.096 7.053 173 HE2 MET 12 HE2 MET 12 3.170 -8.692 8.486 174 HE3 MET 12 HE3 MET 12 1.750 -7.728 8.080 175 H GLU 13 H GLU 13 -3.763 -7.821 10.641 176 HA GLU 13 HA GLU 13 -4.903 -5.384 9.583 177 HB2 GLU 13 HB2 GLU 13 -5.003 -5.921 12.495 178 HB3 GLU 13 HB3 GLU 13 -6.271 -5.379 11.406 179 HG2 GLU 13 HG2 GLU 13 -6.013 -7.849 10.482 180 HG3 GLU 13 HG3 GLU 13 -5.424 -8.126 12.119 181 H SER 14 H SER 14 -1.904 -5.921 10.136 182 HA SER 14 HA SER 14 -1.326 -3.229 10.976 183 HB2 SER 14 HB2 SER 14 0.349 -4.181 12.740 184 HB3 SER 14 HB3 SER 14 -1.348 -4.000 13.178 185 HG SER 14 HG SER 14 -0.087 -6.386 12.302 186 H VAL 15 H VAL 15 0.115 -2.606 9.509 187 HA VAL 15 HA VAL 15 2.388 -4.361 8.925 188 HB VAL 15 HB VAL 15 1.353 -2.892 6.583 189 HG11 VAL 15 HG11 VAL 15 2.071 -4.932 5.431 190 HG12 VAL 15 HG12 VAL 15 2.426 -5.680 6.987 191 HG13 VAL 15 HG13 VAL 15 3.347 -4.274 6.456 192 HG21 VAL 15 HG21 VAL 15 -0.532 -4.082 6.158 193 HG22 VAL 15 HG22 VAL 15 -0.599 -4.132 7.921 194 HG23 VAL 15 HG23 VAL 15 0.041 -5.509 7.021 195 H ASN 16 H ASN 16 4.085 -3.225 9.535 196 HA ASN 16 HA ASN 16 4.205 -0.341 8.985 197 HB2 ASN 16 HB2 ASN 16 4.772 -1.806 11.279 198 HB3 ASN 16 HB3 ASN 16 6.302 -1.244 10.641 199 HD21 ASN 16 HD21 ASN 16 5.960 1.138 9.738 200 HD22 ASN 16 HD22 ASN 16 5.293 2.208 10.943 201 H VAL 17 H VAL 17 5.598 0.387 7.464 202 HA VAL 17 HA VAL 17 8.020 -1.075 6.877 203 HB VAL 17 HB VAL 17 6.672 -2.467 5.623 204 HG11 VAL 17 HG11 VAL 17 4.722 -0.749 5.779 205 HG12 VAL 17 HG12 VAL 17 4.753 -1.936 4.452 206 HG13 VAL 17 HG13 VAL 17 5.275 -0.279 4.155 207 HG21 VAL 17 HG21 VAL 17 8.569 -1.810 4.291 208 HG22 VAL 17 HG22 VAL 17 7.745 -0.343 3.769 209 HG23 VAL 17 HG23 VAL 17 7.176 -1.916 3.213 210 H THR 18 H THR 18 9.434 0.014 5.462 211 HA THR 18 HA THR 18 8.744 2.821 4.904 212 HB THR 18 HB THR 18 11.612 2.160 5.033 213 HG1 THR 18 HG1 THR 18 11.515 2.253 7.403 214 HG21 THR 18 HG21 THR 18 9.828 4.411 5.489 215 HG22 THR 18 HG22 THR 18 11.548 4.398 5.048 216 HG23 THR 18 HG23 THR 18 11.056 4.259 6.748 217 H VAL 19 H VAL 19 8.963 3.450 2.761 218 HA VAL 19 HA VAL 19 10.531 1.943 0.952 219 HB VAL 19 HB VAL 19 8.702 1.521 -0.656 220 HG11 VAL 19 HG11 VAL 19 9.372 -0.289 0.662 221 HG12 VAL 19 HG12 VAL 19 7.595 -0.239 0.499 222 HG13 VAL 19 HG13 VAL 19 8.402 0.328 2.044 223 HG21 VAL 19 HG21 VAL 19 7.094 3.166 -0.016 224 HG22 VAL 19 HG22 VAL 19 6.969 2.494 1.610 225 HG23 VAL 19 HG23 VAL 19 6.357 1.581 0.231 226 H ARG 20 H ARG 20 9.958 2.857 -1.383 227 HA ARG 20 HA ARG 20 9.784 5.735 -1.146 228 HB2 ARG 20 HB2 ARG 20 12.006 4.687 -1.798 229 HB3 ARG 20 HB3 ARG 20 11.281 4.276 -3.318 230 HG2 ARG 20 HG2 ARG 20 12.028 6.314 -3.998 231 HG3 ARG 20 HG3 ARG 20 10.737 6.995 -3.003 232 HD2 ARG 20 HD2 ARG 20 12.229 7.148 -1.110 233 HD3 ARG 20 HD3 ARG 20 13.514 6.356 -2.018 234 HE ARG 20 HE ARG 20 12.452 9.042 -2.599 235 HH11 ARG 20 HH11 ARG 20 15.016 6.679 -2.698 236 HH12 ARG 20 HH12 ARG 20 16.177 7.779 -3.361 237 HH21 ARG 20 HH21 ARG 20 13.976 10.494 -3.475 238 HH22 ARG 20 HH22 ARG 20 15.586 9.947 -3.803 239 H VAL 21 H VAL 21 8.741 6.909 -2.875 240 HA VAL 21 HA VAL 21 6.431 5.474 -3.884 241 HB VAL 21 HB VAL 21 7.382 8.303 -4.665 242 HG11 VAL 21 HG11 VAL 21 5.007 8.672 -5.099 243 HG12 VAL 21 HG12 VAL 21 4.697 6.972 -4.746 244 HG13 VAL 21 HG13 VAL 21 5.690 7.417 -6.134 245 HG21 VAL 21 HG21 VAL 21 5.969 9.123 -2.880 246 HG22 VAL 21 HG22 VAL 21 7.261 8.105 -2.245 247 HG23 VAL 21 HG23 VAL 21 5.624 7.466 -2.386 248 H LEU 22 H LEU 22 6.239 4.500 -5.778 249 HA LEU 22 HA LEU 22 8.316 4.798 -7.809 250 HB2 LEU 22 HB2 LEU 22 6.288 2.585 -7.587 251 HB3 LEU 22 HB3 LEU 22 7.729 2.619 -8.558 252 HG LEU 22 HG LEU 22 7.591 2.383 -5.569 253 HD11 LEU 22 HD11 LEU 22 8.778 0.492 -7.578 254 HD12 LEU 22 HD12 LEU 22 7.130 0.356 -6.966 255 HD13 LEU 22 HD13 LEU 22 8.496 0.213 -5.859 256 HD21 LEU 22 HD21 LEU 22 10.088 2.448 -7.245 257 HD22 LEU 22 HD22 LEU 22 9.948 2.399 -5.488 258 HD23 LEU 22 HD23 LEU 22 9.465 3.845 -6.363 259 H GLU 23 H GLU 23 4.999 5.194 -7.095 260 HA GLU 23 HA GLU 23 4.565 6.695 -9.554 261 HB2 GLU 23 HB2 GLU 23 4.201 4.132 -10.012 262 HB3 GLU 23 HB3 GLU 23 2.673 4.403 -9.185 263 HG2 GLU 23 HG2 GLU 23 1.860 4.986 -11.166 264 HG3 GLU 23 HG3 GLU 23 2.786 6.475 -10.995 265 H ALA 24 H ALA 24 2.260 7.537 -9.636 266 HA ALA 24 HA ALA 24 0.722 7.452 -7.219 267 HB1 ALA 24 HB1 ALA 24 2.190 10.008 -7.880 268 HB2 ALA 24 HB2 ALA 24 2.514 8.952 -6.504 269 HB3 ALA 24 HB3 ALA 24 0.977 9.810 -6.616 270 H SER 25 H SER 25 -1.343 7.751 -7.732 271 HA SER 25 HA SER 25 -1.956 9.177 -10.244 272 HB2 SER 25 HB2 SER 25 -2.538 6.574 -9.695 273 HB3 SER 25 HB3 SER 25 -4.014 7.366 -9.144 274 HG SER 25 HG SER 25 -3.588 6.713 -11.542 275 H GLU 26 H GLU 26 -3.860 10.495 -10.294 276 HA GLU 26 HA GLU 26 -4.227 12.054 -7.982 277 HB2 GLU 26 HB2 GLU 26 -6.074 11.960 -10.366 278 HB3 GLU 26 HB3 GLU 26 -5.805 13.289 -9.264 279 HG2 GLU 26 HG2 GLU 26 -3.669 12.201 -11.055 280 HG3 GLU 26 HG3 GLU 26 -4.740 13.526 -11.511 281 H ALA 27 H ALA 27 -6.117 12.389 -6.781 282 HA ALA 27 HA ALA 27 -7.260 9.923 -5.939 283 HB1 ALA 27 HB1 ALA 27 -8.137 11.245 -4.109 284 HB2 ALA 27 HB2 ALA 27 -7.701 12.729 -4.960 285 HB3 ALA 27 HB3 ALA 27 -6.419 11.613 -4.416 286 H ARG 28 H ARG 28 -9.094 9.030 -6.425 287 HA ARG 28 HA ARG 28 -11.186 10.578 -7.805 288 HB2 ARG 28 HB2 ARG 28 -10.264 9.429 -9.588 289 HB3 ARG 28 HB3 ARG 28 -9.786 8.061 -8.600 290 HG2 ARG 28 HG2 ARG 28 -12.554 8.005 -8.525 291 HG3 ARG 28 HG3 ARG 28 -12.174 8.469 -10.184 292 HD2 ARG 28 HD2 ARG 28 -10.843 6.521 -10.506 293 HD3 ARG 28 HD3 ARG 28 -10.889 6.129 -8.788 294 HE ARG 28 HE ARG 28 -13.453 6.191 -10.147 295 HH11 ARG 28 HH11 ARG 28 -10.774 4.244 -9.042 296 HH12 ARG 28 HH12 ARG 28 -11.684 2.770 -9.038 297 HH21 ARG 28 HH21 ARG 28 -14.650 4.249 -10.141 298 HH22 ARG 28 HH22 ARG 28 -13.880 2.772 -9.662 299 H GLN 29 H GLN 29 -13.326 9.602 -7.720 300 HA GLN 29 HA GLN 29 -13.898 8.465 -5.117 301 HB2 GLN 29 HB2 GLN 29 -15.624 9.598 -7.313 302 HB3 GLN 29 HB3 GLN 29 -16.295 8.841 -5.875 303 HG2 GLN 29 HG2 GLN 29 -15.144 10.487 -4.492 304 HG3 GLN 29 HG3 GLN 29 -14.520 11.265 -5.945 305 HE21 GLN 29 HE21 GLN 29 -17.372 10.615 -4.040 306 HE22 GLN 29 HE22 GLN 29 -18.372 11.825 -4.761 307 H ILE 30 H ILE 30 -14.720 6.478 -4.732 308 HA ILE 30 HA ILE 30 -15.277 4.755 -7.056 309 HB ILE 30 HB ILE 30 -14.330 2.869 -5.965 310 HG12 ILE 30 HG12 ILE 30 -13.671 4.476 -3.519 311 HG13 ILE 30 HG13 ILE 30 -15.245 3.700 -3.696 312 HG21 ILE 30 HG21 ILE 30 -12.584 5.303 -5.705 313 HG22 ILE 30 HG22 ILE 30 -12.568 4.064 -6.962 314 HG23 ILE 30 HG23 ILE 30 -11.979 3.681 -5.339 315 HD11 ILE 30 HD11 ILE 30 -14.254 1.544 -3.764 316 HD12 ILE 30 HD12 ILE 30 -13.527 2.403 -2.406 317 HD13 ILE 30 HD13 ILE 30 -12.634 2.222 -3.917 318 H GLN 31 H GLN 31 -16.806 2.993 -6.551 319 HA GLN 31 HA GLN 31 -18.792 3.838 -4.557 320 HB2 GLN 31 HB2 GLN 31 -19.136 2.517 -7.244 321 HB3 GLN 31 HB3 GLN 31 -20.422 2.562 -6.047 322 HG2 GLN 31 HG2 GLN 31 -20.424 4.981 -6.096 323 HG3 GLN 31 HG3 GLN 31 -19.070 4.979 -7.225 324 HE21 GLN 31 HE21 GLN 31 -19.415 4.363 -9.363 325 HE22 GLN 31 HE22 GLN 31 -20.996 4.292 -10.054 326 H THR 32 H THR 32 -18.840 2.563 -2.842 327 HA THR 32 HA THR 32 -18.231 -0.303 -3.172 328 HB THR 32 HB THR 32 -17.644 -0.378 -0.825 329 HG1 THR 32 HG1 THR 32 -18.154 1.203 0.490 330 HG21 THR 32 HG21 THR 32 -16.335 1.597 -2.621 331 HG22 THR 32 HG22 THR 32 -15.732 0.058 -2.018 332 HG23 THR 32 HG23 THR 32 -15.762 1.474 -0.956 333 H LYS 33 H LYS 33 -19.190 -1.368 -0.933 334 HA LYS 33 HA LYS 33 -22.028 -1.370 -1.415 335 HB2 LYS 33 HB2 LYS 33 -22.067 -3.257 0.155 336 HB3 LYS 33 HB3 LYS 33 -20.834 -3.476 -1.080 337 HG2 LYS 33 HG2 LYS 33 -19.092 -2.921 0.440 338 HG3 LYS 33 HG3 LYS 33 -20.249 -2.395 1.662 339 HD2 LYS 33 HD2 LYS 33 -21.116 -4.736 1.742 340 HD3 LYS 33 HD3 LYS 33 -19.798 -5.205 0.664 341 HE2 LYS 33 HE2 LYS 33 -18.167 -4.449 2.306 342 HE3 LYS 33 HE3 LYS 33 -19.467 -3.924 3.375 343 HZ1 LYS 33 HZ1 LYS 33 -18.904 -6.717 2.536 344 HZ2 LYS 33 HZ2 LYS 33 -20.214 -6.241 3.495 345 HZ3 LYS 33 HZ3 LYS 33 -18.634 -6.055 4.070 346 H ASN 34 H ASN 34 -19.967 0.392 0.503 347 HA ASN 34 HA ASN 34 -22.023 0.838 2.574 348 HB2 ASN 34 HB2 ASN 34 -19.033 1.284 2.670 349 HB3 ASN 34 HB3 ASN 34 -20.145 1.814 3.927 350 HD21 ASN 34 HD21 ASN 34 -21.205 0.266 5.192 351 HD22 ASN 34 HD22 ASN 34 -20.615 -1.353 5.321 352 H GLY 35 H GLY 35 -21.221 2.064 -0.250 353 HA2 GLY 35 HA2 GLY 35 -22.382 4.197 -0.758 354 HA3 GLY 35 HA3 GLY 35 -21.577 4.861 0.656 355 H VAL 36 H VAL 36 -20.674 6.530 -0.643 356 HA VAL 36 HA VAL 36 -18.606 5.579 -2.495 357 HB VAL 36 HB VAL 36 -20.251 6.960 -3.600 358 HG11 VAL 36 HG11 VAL 36 -20.564 9.314 -3.059 359 HG12 VAL 36 HG12 VAL 36 -19.454 9.164 -1.696 360 HG13 VAL 36 HG13 VAL 36 -20.990 8.298 -1.681 361 HG21 VAL 36 HG21 VAL 36 -17.638 8.426 -3.303 362 HG22 VAL 36 HG22 VAL 36 -18.772 8.568 -4.647 363 HG23 VAL 36 HG23 VAL 36 -17.933 7.043 -4.356 364 H ARG 37 H ARG 37 -16.567 6.179 -2.348 365 HA ARG 37 HA ARG 37 -15.634 7.964 -0.215 366 HB2 ARG 37 HB2 ARG 37 -13.889 6.367 0.208 367 HB3 ARG 37 HB3 ARG 37 -15.443 6.013 0.883 368 HG2 ARG 37 HG2 ARG 37 -14.720 4.797 -1.738 369 HG3 ARG 37 HG3 ARG 37 -14.095 4.091 -0.251 370 HD2 ARG 37 HD2 ARG 37 -16.984 4.749 -0.433 371 HD3 ARG 37 HD3 ARG 37 -16.385 3.308 -1.247 372 HE ARG 37 HE ARG 37 -15.607 2.527 0.940 373 HH11 ARG 37 HH11 ARG 37 -18.000 5.078 0.878 374 HH12 ARG 37 HH12 ARG 37 -18.560 4.761 2.484 375 HH21 ARG 37 HH21 ARG 37 -16.334 2.130 3.059 376 HH22 ARG 37 HH22 ARG 37 -17.618 3.088 3.720 377 H THR 38 H THR 38 -13.228 8.354 -0.447 378 HA THR 38 HA THR 38 -12.693 8.725 -3.324 379 HB THR 38 HB THR 38 -11.329 10.758 -2.408 380 HG1 THR 38 HG1 THR 38 -11.742 11.301 -0.417 381 HG21 THR 38 HG21 THR 38 -14.332 10.854 -2.636 382 HG22 THR 38 HG22 THR 38 -13.186 10.961 -3.974 383 HG23 THR 38 HG23 THR 38 -13.246 12.239 -2.760 384 H ILE 39 H ILE 39 -11.167 7.344 -3.783 385 HA ILE 39 HA ILE 39 -8.838 7.266 -1.993 386 HB ILE 39 HB ILE 39 -8.615 4.870 -2.550 387 HG12 ILE 39 HG12 ILE 39 -11.443 4.715 -3.338 388 HG13 ILE 39 HG13 ILE 39 -10.375 5.406 -4.561 389 HG21 ILE 39 HG21 ILE 39 -9.649 4.574 -0.616 390 HG22 ILE 39 HG22 ILE 39 -11.216 4.713 -1.412 391 HG23 ILE 39 HG23 ILE 39 -10.409 6.150 -0.801 392 HD11 ILE 39 HD11 ILE 39 -8.940 3.259 -3.837 393 HD12 ILE 39 HD12 ILE 39 -10.154 3.228 -5.112 394 HD13 ILE 39 HD13 ILE 39 -10.564 2.670 -3.490 395 H SER 40 H SER 40 -7.027 6.037 -3.154 396 HA SER 40 HA SER 40 -6.922 6.413 -6.008 397 HB2 SER 40 HB2 SER 40 -6.319 8.647 -4.959 398 HB3 SER 40 HB3 SER 40 -4.878 7.842 -4.312 399 HG SER 40 HG SER 40 -5.326 8.791 -6.784 400 H GLU 41 H GLU 41 -4.749 5.718 -6.838 401 HA GLU 41 HA GLU 41 -3.628 3.685 -5.070 402 HB2 GLU 41 HB2 GLU 41 -5.243 3.075 -7.064 403 HB3 GLU 41 HB3 GLU 41 -3.791 3.302 -8.019 404 HG2 GLU 41 HG2 GLU 41 -3.474 1.589 -5.656 405 HG3 GLU 41 HG3 GLU 41 -4.564 0.964 -6.891 406 H ALA 42 H ALA 42 -1.471 3.571 -4.971 407 HA ALA 42 HA ALA 42 0.177 5.009 -6.934 408 HB1 ALA 42 HB1 ALA 42 -0.312 6.576 -5.110 409 HB2 ALA 42 HB2 ALA 42 1.399 6.160 -5.194 410 HB3 ALA 42 HB3 ALA 42 0.372 5.433 -3.956 411 H ILE 43 H ILE 43 1.897 3.845 -7.485 412 HA ILE 43 HA ILE 43 2.445 1.362 -6.135 413 HB ILE 43 HB ILE 43 3.938 2.609 -8.447 414 HG12 ILE 43 HG12 ILE 43 1.639 2.377 -9.108 415 HG13 ILE 43 HG13 ILE 43 2.543 1.062 -9.846 416 HG21 ILE 43 HG21 ILE 43 4.775 0.420 -8.903 417 HG22 ILE 43 HG22 ILE 43 3.759 -0.290 -7.648 418 HG23 ILE 43 HG23 ILE 43 5.092 0.777 -7.205 419 HD11 ILE 43 HD11 ILE 43 1.761 -0.404 -7.973 420 HD12 ILE 43 HD12 ILE 43 0.496 0.174 -9.059 421 HD13 ILE 43 HD13 ILE 43 0.706 0.921 -7.475 422 H VAL 44 H VAL 44 4.006 0.950 -4.753 423 HA VAL 44 HA VAL 44 6.311 2.723 -4.401 424 HB VAL 44 HB VAL 44 6.061 2.141 -1.815 425 HG11 VAL 44 HG11 VAL 44 4.786 4.202 -3.441 426 HG12 VAL 44 HG12 VAL 44 5.160 4.286 -1.714 427 HG13 VAL 44 HG13 VAL 44 3.594 3.627 -2.260 428 HG21 VAL 44 HG21 VAL 44 4.331 0.471 -2.422 429 HG22 VAL 44 HG22 VAL 44 3.297 1.845 -2.822 430 HG23 VAL 44 HG23 VAL 44 3.882 1.639 -1.176 431 H GLY 45 H GLY 45 7.890 1.603 -2.964 432 HA2 GLY 45 HA2 GLY 45 7.896 -1.031 -2.273 433 HA3 GLY 45 HA3 GLY 45 8.487 -1.045 -3.927 434 H ASP 46 H ASP 46 10.114 -2.040 -2.067 435 HA ASP 46 HA ASP 46 12.178 0.040 -1.784 436 HB2 ASP 46 HB2 ASP 46 12.921 -1.104 0.301 437 HB3 ASP 46 HB3 ASP 46 11.310 -0.410 0.431 438 H GLU 47 H GLU 47 14.203 -1.602 -0.852 439 HA GLU 47 HA GLU 47 15.037 -2.858 -3.273 440 HB2 GLU 47 HB2 GLU 47 17.067 -3.492 -1.878 441 HB3 GLU 47 HB3 GLU 47 16.745 -1.774 -2.062 442 HG2 GLU 47 HG2 GLU 47 16.502 -1.486 0.130 443 HG3 GLU 47 HG3 GLU 47 15.446 -2.890 0.278 444 H THR 48 H THR 48 12.974 -3.948 -0.958 445 HA THR 48 HA THR 48 13.930 -6.724 -1.119 446 HB THR 48 HB THR 48 12.725 -7.199 0.812 447 HG1 THR 48 HG1 THR 48 10.900 -5.638 -0.203 448 HG21 THR 48 HG21 THR 48 14.599 -5.451 1.051 449 HG22 THR 48 HG22 THR 48 13.505 -5.694 2.412 450 HG23 THR 48 HG23 THR 48 13.291 -4.305 1.345 451 H GLY 49 H GLY 49 11.966 -4.790 -2.894 452 HA2 GLY 49 HA2 GLY 49 10.856 -6.432 -4.587 453 HA3 GLY 49 HA3 GLY 49 9.825 -6.754 -3.204 454 H ARG 50 H ARG 50 7.978 -5.999 -4.181 455 HA ARG 50 HA ARG 50 7.605 -3.165 -4.128 456 HB2 ARG 50 HB2 ARG 50 8.449 -3.429 -6.388 457 HB3 ARG 50 HB3 ARG 50 7.308 -4.736 -6.689 458 HG2 ARG 50 HG2 ARG 50 5.565 -2.883 -6.023 459 HG3 ARG 50 HG3 ARG 50 6.864 -1.820 -6.559 460 HD2 ARG 50 HD2 ARG 50 5.985 -4.148 -8.229 461 HD3 ARG 50 HD3 ARG 50 5.090 -2.634 -8.263 462 HE ARG 50 HE ARG 50 7.963 -2.598 -8.795 463 HH11 ARG 50 HH11 ARG 50 4.693 -2.194 -9.932 464 HH12 ARG 50 HH12 ARG 50 5.166 -1.431 -11.413 465 HH21 ARG 50 HH21 ARG 50 8.595 -1.591 -10.736 466 HH22 ARG 50 HH22 ARG 50 7.386 -1.090 -11.871 467 H VAL 51 H VAL 51 5.521 -2.644 -3.834 468 HA VAL 51 HA VAL 51 3.420 -4.614 -4.081 469 HB VAL 51 HB VAL 51 4.181 -5.088 -1.856 470 HG11 VAL 51 HG11 VAL 51 3.922 -2.133 -1.295 471 HG12 VAL 51 HG12 VAL 51 5.432 -3.036 -1.427 472 HG13 VAL 51 HG13 VAL 51 4.313 -3.377 -0.107 473 HG21 VAL 51 HG21 VAL 51 1.730 -3.361 -1.831 474 HG22 VAL 51 HG22 VAL 51 2.188 -4.472 -0.540 475 HG23 VAL 51 HG23 VAL 51 1.799 -5.092 -2.147 476 H LYS 52 H LYS 52 1.530 -3.715 -4.678 477 HA LYS 52 HA LYS 52 1.338 -0.973 -5.301 478 HB2 LYS 52 HB2 LYS 52 -1.082 -2.719 -5.006 479 HB3 LYS 52 HB3 LYS 52 -0.766 -1.466 -6.196 480 HG2 LYS 52 HG2 LYS 52 1.205 -3.514 -6.468 481 HG3 LYS 52 HG3 LYS 52 -0.394 -4.255 -6.447 482 HD2 LYS 52 HD2 LYS 52 -1.113 -2.968 -8.303 483 HD3 LYS 52 HD3 LYS 52 0.285 -1.899 -8.194 484 HE2 LYS 52 HE2 LYS 52 0.548 -3.447 -10.049 485 HE3 LYS 52 HE3 LYS 52 1.756 -3.778 -8.806 486 HZ1 LYS 52 HZ1 LYS 52 0.393 -5.612 -8.022 487 HZ2 LYS 52 HZ2 LYS 52 0.756 -5.813 -9.662 488 HZ3 LYS 52 HZ3 LYS 52 -0.781 -5.283 -9.196 489 H LEU 53 H LEU 53 0.593 0.753 -4.175 490 HA LEU 53 HA LEU 53 -0.483 0.275 -1.484 491 HB2 LEU 53 HB2 LEU 53 1.652 1.639 -1.879 492 HB3 LEU 53 HB3 LEU 53 0.605 2.885 -2.521 493 HG LEU 53 HG LEU 53 1.378 3.135 -0.109 494 HD11 LEU 53 HD11 LEU 53 -0.454 4.456 -1.026 495 HD12 LEU 53 HD12 LEU 53 -0.749 4.028 0.659 496 HD13 LEU 53 HD13 LEU 53 -1.590 3.165 -0.629 497 HD21 LEU 53 HD21 LEU 53 0.169 1.926 1.592 498 HD22 LEU 53 HD22 LEU 53 1.034 0.799 0.547 499 HD23 LEU 53 HD23 LEU 53 -0.706 1.016 0.363 500 H THR 54 H THR 54 -2.396 1.068 -0.878 501 HA THR 54 HA THR 54 -3.996 2.604 -2.776 502 HB THR 54 HB THR 54 -5.328 0.640 -0.946 503 HG1 THR 54 HG1 THR 54 -4.034 0.119 -3.430 504 HG21 THR 54 HG21 THR 54 -6.138 1.370 -3.720 505 HG22 THR 54 HG22 THR 54 -6.333 2.557 -2.436 506 HG23 THR 54 HG23 THR 54 -7.142 0.998 -2.321 507 H LEU 55 H LEU 55 -4.202 4.489 -1.888 508 HA LEU 55 HA LEU 55 -4.270 4.965 0.932 509 HB2 LEU 55 HB2 LEU 55 -4.952 6.973 -1.139 510 HB3 LEU 55 HB3 LEU 55 -4.060 7.186 0.334 511 HG LEU 55 HG LEU 55 -2.612 5.396 -1.349 512 HD11 LEU 55 HD11 LEU 55 -2.135 7.502 -2.946 513 HD12 LEU 55 HD12 LEU 55 -3.862 7.666 -2.665 514 HD13 LEU 55 HD13 LEU 55 -3.230 6.178 -3.347 515 HD21 LEU 55 HD21 LEU 55 -1.699 6.795 0.471 516 HD22 LEU 55 HD22 LEU 55 -1.969 8.217 -0.540 517 HD23 LEU 55 HD23 LEU 55 -0.835 6.969 -1.056 518 H TRP 56 H TRP 56 -6.057 6.090 2.002 519 HA TRP 56 HA TRP 56 -8.635 5.673 0.666 520 HB2 TRP 56 HB2 TRP 56 -7.733 4.659 3.320 521 HB3 TRP 56 HB3 TRP 56 -9.443 4.937 3.032 522 HD1 TRP 56 HD1 TRP 56 -6.597 2.560 2.175 523 HE1 TRP 56 HE1 TRP 56 -7.479 0.612 0.769 524 HE3 TRP 56 HE3 TRP 56 -11.366 4.277 1.294 525 HZ2 TRP 56 HZ2 TRP 56 -9.912 -0.118 -0.506 526 HZ3 TRP 56 HZ3 TRP 56 -12.874 2.877 -0.034 527 HH2 TRP 56 HH2 TRP 56 -12.170 0.736 -0.915 528 H GLY 57 H GLY 57 -9.892 7.294 0.625 529 HA2 GLY 57 HA2 GLY 57 -11.013 9.201 1.059 530 HA3 GLY 57 HA3 GLY 57 -10.591 9.010 2.731 531 H LYS 58 H LYS 58 -8.800 10.239 3.562 532 HA LYS 58 HA LYS 58 -8.176 12.549 1.935 533 HB2 LYS 58 HB2 LYS 58 -6.795 13.129 4.112 534 HB3 LYS 58 HB3 LYS 58 -8.538 13.321 4.047 535 HG2 LYS 58 HG2 LYS 58 -8.099 12.293 6.102 536 HG3 LYS 58 HG3 LYS 58 -8.682 10.996 5.059 537 HD2 LYS 58 HD2 LYS 58 -6.038 10.844 4.573 538 HD3 LYS 58 HD3 LYS 58 -6.012 11.440 6.234 539 HE2 LYS 58 HE2 LYS 58 -7.712 9.107 5.431 540 HE3 LYS 58 HE3 LYS 58 -6.006 8.909 5.836 541 HZ1 LYS 58 HZ1 LYS 58 -7.377 8.526 7.771 542 HZ2 LYS 58 HZ2 LYS 58 -8.120 10.035 7.601 543 HZ3 LYS 58 HZ3 LYS 58 -6.479 9.943 8.001 544 H HIS 59 H HIS 59 -6.535 9.628 2.832 545 HA HIS 59 HA HIS 59 -3.888 10.510 2.291 546 HB2 HIS 59 HB2 HIS 59 -5.220 7.829 2.568 547 HB3 HIS 59 HB3 HIS 59 -3.577 7.947 1.955 548 HD2 HIS 59 HD2 HIS 59 -5.020 7.139 5.200 549 HE1 HIS 59 HE1 HIS 59 -1.643 9.535 6.150 550 HE2 HIS 59 HE2 HIS 59 -3.375 7.923 7.011 551 H ALA 60 H ALA 60 -6.578 9.581 0.382 552 HA ALA 60 HA ALA 60 -5.399 8.607 -1.929 553 HB1 ALA 60 HB1 ALA 60 -7.468 8.673 -2.793 554 HB2 ALA 60 HB2 ALA 60 -7.709 10.365 -2.346 555 HB3 ALA 60 HB3 ALA 60 -7.938 9.094 -1.141 556 H GLY 61 H GLY 61 -4.093 9.468 -3.397 557 HA2 GLY 61 HA2 GLY 61 -2.923 11.006 -4.613 558 HA3 GLY 61 HA3 GLY 61 -4.354 11.968 -4.533 559 H SER 62 H SER 62 -3.313 11.363 -1.421 560 HA SER 62 HA SER 62 -2.435 14.106 -1.139 561 HB2 SER 62 HB2 SER 62 -3.888 13.388 0.585 562 HB3 SER 62 HB3 SER 62 -2.985 11.878 0.821 563 HG SER 62 HG SER 62 -1.562 12.908 2.017 564 H ILE 63 H ILE 63 -0.968 11.043 -1.531 565 HA ILE 63 HA ILE 63 1.474 11.636 -0.161 566 HB ILE 63 HB ILE 63 2.368 9.645 -1.506 567 HG12 ILE 63 HG12 ILE 63 -0.167 8.482 -2.045 568 HG13 ILE 63 HG13 ILE 63 -0.154 10.060 -2.819 569 HG21 ILE 63 HG21 ILE 63 1.231 8.062 -0.060 570 HG22 ILE 63 HG22 ILE 63 -0.079 9.206 0.231 571 HG23 ILE 63 HG23 ILE 63 1.542 9.551 0.832 572 HD11 ILE 63 HD11 ILE 63 0.633 8.405 -4.362 573 HD12 ILE 63 HD12 ILE 63 1.848 7.852 -3.210 574 HD13 ILE 63 HD13 ILE 63 1.971 9.463 -3.917 575 H LYS 64 H LYS 64 3.596 11.377 -1.434 576 HA LYS 64 HA LYS 64 3.534 13.350 -3.600 577 HB2 LYS 64 HB2 LYS 64 5.374 12.759 -1.380 578 HB3 LYS 64 HB3 LYS 64 6.160 13.092 -2.917 579 HG2 LYS 64 HG2 LYS 64 4.795 15.195 -3.046 580 HG3 LYS 64 HG3 LYS 64 4.294 14.879 -1.384 581 HD2 LYS 64 HD2 LYS 64 6.917 14.648 -1.040 582 HD3 LYS 64 HD3 LYS 64 6.942 15.706 -2.453 583 HE2 LYS 64 HE2 LYS 64 5.700 17.382 -1.327 584 HE3 LYS 64 HE3 LYS 64 5.298 16.292 -0.002 585 HZ1 LYS 64 HZ1 LYS 64 7.039 17.846 0.621 586 HZ2 LYS 64 HZ2 LYS 64 8.019 17.297 -0.643 587 HZ3 LYS 64 HZ3 LYS 64 7.627 16.259 0.634 588 H GLU 65 H GLU 65 5.798 12.990 -4.873 589 HA GLU 65 HA GLU 65 5.484 10.473 -6.263 590 HB2 GLU 65 HB2 GLU 65 6.394 13.136 -6.921 591 HB3 GLU 65 HB3 GLU 65 7.620 11.955 -7.354 592 HG2 GLU 65 HG2 GLU 65 6.219 10.866 -8.869 593 HG3 GLU 65 HG3 GLU 65 4.782 11.576 -8.122 594 H GLY 66 H GLY 66 7.977 9.873 -7.156 595 HA2 GLY 66 HA2 GLY 66 9.028 8.200 -5.313 596 HA3 GLY 66 HA3 GLY 66 10.008 8.961 -6.545 597 H GLN 67 H GLN 67 8.896 9.131 -3.244 598 HA GLN 67 HA GLN 67 11.293 10.599 -2.440 599 HB2 GLN 67 HB2 GLN 67 9.991 12.021 -0.944 600 HB3 GLN 67 HB3 GLN 67 9.455 12.265 -2.601 601 HG2 GLN 67 HG2 GLN 67 7.403 12.007 -1.829 602 HG3 GLN 67 HG3 GLN 67 7.781 10.290 -1.738 603 HE21 GLN 67 HE21 GLN 67 8.449 9.423 0.260 604 HE22 GLN 67 HE22 GLN 67 8.024 10.189 1.750 605 H VAL 68 H VAL 68 11.647 10.301 0.006 606 HA VAL 68 HA VAL 68 11.184 7.550 0.601 607 HB VAL 68 HB VAL 68 12.498 9.520 2.445 608 HG11 VAL 68 HG11 VAL 68 12.489 6.619 1.985 609 HG12 VAL 68 HG12 VAL 68 12.228 7.493 3.489 610 HG13 VAL 68 HG13 VAL 68 13.855 7.348 2.824 611 HG21 VAL 68 HG21 VAL 68 14.608 9.002 1.381 612 HG22 VAL 68 HG22 VAL 68 13.489 9.806 0.265 613 HG23 VAL 68 HG23 VAL 68 13.720 8.029 0.185 614 H VAL 69 H VAL 69 9.378 6.921 1.536 615 HA VAL 69 HA VAL 69 8.113 8.693 3.522 616 HB VAL 69 HB VAL 69 6.181 6.826 2.739 617 HG11 VAL 69 HG11 VAL 69 4.938 8.731 2.009 618 HG12 VAL 69 HG12 VAL 69 6.409 9.687 1.828 619 HG13 VAL 69 HG13 VAL 69 5.874 9.185 3.433 620 HG21 VAL 69 HG21 VAL 69 7.994 7.288 0.563 621 HG22 VAL 69 HG22 VAL 69 6.404 7.944 0.177 622 HG23 VAL 69 HG23 VAL 69 6.573 6.247 0.631 623 H LYS 70 H LYS 70 6.520 7.254 4.912 624 HA LYS 70 HA LYS 70 7.783 4.715 5.607 625 HB2 LYS 70 HB2 LYS 70 8.724 6.610 7.024 626 HB3 LYS 70 HB3 LYS 70 7.117 6.762 7.720 627 HG2 LYS 70 HG2 LYS 70 7.701 4.059 7.926 628 HG3 LYS 70 HG3 LYS 70 9.217 4.874 8.318 629 HD2 LYS 70 HD2 LYS 70 7.892 6.326 9.898 630 HD3 LYS 70 HD3 LYS 70 6.529 5.238 9.630 631 HE2 LYS 70 HE2 LYS 70 7.908 3.356 10.414 632 HE3 LYS 70 HE3 LYS 70 9.232 4.477 10.731 633 HZ1 LYS 70 HZ1 LYS 70 7.993 3.985 12.742 634 HZ2 LYS 70 HZ2 LYS 70 6.562 4.542 12.032 635 HZ3 LYS 70 HZ3 LYS 70 7.830 5.619 12.336 636 H ILE 71 H ILE 71 6.147 3.353 5.293 637 HA ILE 71 HA ILE 71 3.414 4.109 5.737 638 HB ILE 71 HB ILE 71 4.560 1.372 5.183 639 HG12 ILE 71 HG12 ILE 71 4.973 3.260 3.486 640 HG13 ILE 71 HG13 ILE 71 4.246 1.768 2.886 641 HG21 ILE 71 HG21 ILE 71 1.767 2.453 5.266 642 HG22 ILE 71 HG22 ILE 71 2.421 1.002 6.029 643 HG23 ILE 71 HG23 ILE 71 2.170 1.045 4.283 644 HD11 ILE 71 HD11 ILE 71 3.268 3.930 2.030 645 HD12 ILE 71 HD12 ILE 71 2.660 4.213 3.662 646 HD13 ILE 71 HD13 ILE 71 2.106 2.812 2.744 647 H GLU 72 H GLU 72 2.007 3.392 7.397 648 HA GLU 72 HA GLU 72 3.365 2.230 9.670 649 HB2 GLU 72 HB2 GLU 72 2.250 4.683 9.570 650 HB3 GLU 72 HB3 GLU 72 0.887 3.779 10.120 651 HG2 GLU 72 HG2 GLU 72 3.290 3.098 11.561 652 HG3 GLU 72 HG3 GLU 72 2.949 4.825 11.650 653 H ASN 73 H ASN 73 1.486 1.575 11.168 654 HA ASN 73 HA ASN 73 0.470 -0.856 10.411 655 HB2 ASN 73 HB2 ASN 73 0.477 0.650 12.668 656 HB3 ASN 73 HB3 ASN 73 -1.186 0.694 12.180 657 HD21 ASN 73 HD21 ASN 73 -2.424 -0.974 12.907 658 HD22 ASN 73 HD22 ASN 73 -1.858 -2.489 13.468 659 H ALA 74 H ALA 74 -0.596 -1.038 8.545 660 HA ALA 74 HA ALA 74 -3.227 0.284 8.381 661 HB1 ALA 74 HB1 ALA 74 -1.896 1.191 6.638 662 HB2 ALA 74 HB2 ALA 74 -2.956 -0.004 5.889 663 HB3 ALA 74 HB3 ALA 74 -1.265 -0.397 6.205 664 H TRP 75 H TRP 75 -2.314 -2.004 6.006 665 HA TRP 75 HA TRP 75 -2.883 -4.462 7.181 666 HB2 TRP 75 HB2 TRP 75 -5.197 -4.837 6.327 667 HB3 TRP 75 HB3 TRP 75 -5.095 -3.716 7.678 668 HD1 TRP 75 HD1 TRP 75 -5.708 -3.711 3.861 669 HE1 TRP 75 HE1 TRP 75 -7.028 -1.607 3.292 670 HE3 TRP 75 HE3 TRP 75 -5.650 -1.385 8.389 671 HZ2 TRP 75 HZ2 TRP 75 -7.889 0.670 4.508 672 HZ3 TRP 75 HZ3 TRP 75 -6.768 0.806 8.590 673 HH2 TRP 75 HH2 TRP 75 -7.883 1.824 6.662 674 H THR 76 H THR 76 -3.662 -6.059 5.545 675 HA THR 76 HA THR 76 -2.756 -5.350 2.856 676 HB THR 76 HB THR 76 -1.720 -7.709 2.803 677 HG1 THR 76 HG1 THR 76 -0.837 -8.096 5.068 678 HG21 THR 76 HG21 THR 76 0.418 -6.828 3.844 679 HG22 THR 76 HG22 THR 76 -0.496 -5.375 4.256 680 HG23 THR 76 HG23 THR 76 -0.298 -5.843 2.565 681 H THR 77 H THR 77 -3.959 -6.171 1.303 682 HA THR 77 HA THR 77 -5.837 -8.333 1.956 683 HB THR 77 HB THR 77 -7.682 -7.239 0.976 684 HG1 THR 77 HG1 THR 77 -7.246 -6.161 -0.788 685 HG21 THR 77 HG21 THR 77 -7.991 -5.823 2.692 686 HG22 THR 77 HG22 THR 77 -6.900 -4.650 1.956 687 HG23 THR 77 HG23 THR 77 -6.262 -5.887 3.038 688 H ALA 78 H ALA 78 -5.852 -9.926 0.444 689 HA ALA 78 HA ALA 78 -4.023 -9.616 -1.787 690 HB1 ALA 78 HB1 ALA 78 -3.877 -11.604 -0.384 691 HB2 ALA 78 HB2 ALA 78 -4.228 -12.020 -2.060 692 HB3 ALA 78 HB3 ALA 78 -5.515 -12.060 -0.854 693 H PHE 79 H PHE 79 -4.836 -8.636 -3.542 694 HA PHE 79 HA PHE 79 -7.500 -9.294 -4.448 695 HB2 PHE 79 HB2 PHE 79 -6.428 -6.898 -4.265 696 HB3 PHE 79 HB3 PHE 79 -5.698 -7.337 -5.825 697 HD1 PHE 79 HD1 PHE 79 -8.877 -7.028 -4.026 698 HD2 PHE 79 HD2 PHE 79 -6.957 -7.298 -7.790 699 HE1 PHE 79 HE1 PHE 79 -10.987 -6.560 -5.127 700 HE2 PHE 79 HE2 PHE 79 -9.068 -6.810 -8.904 701 HZ PHE 79 HZ PHE 79 -11.112 -6.440 -7.581 702 H LYS 80 H LYS 80 -7.804 -10.745 -5.975 703 HA LYS 80 HA LYS 80 -7.504 -12.179 -7.696 704 HB2 LYS 80 HB2 LYS 80 -5.380 -10.230 -8.597 705 HB3 LYS 80 HB3 LYS 80 -6.154 -11.456 -9.593 706 HG2 LYS 80 HG2 LYS 80 -7.645 -9.225 -8.246 707 HG3 LYS 80 HG3 LYS 80 -7.010 -9.122 -9.886 708 HD2 LYS 80 HD2 LYS 80 -8.392 -11.045 -10.531 709 HD3 LYS 80 HD3 LYS 80 -9.023 -11.136 -8.882 710 HE2 LYS 80 HE2 LYS 80 -9.847 -8.792 -9.154 711 HE3 LYS 80 HE3 LYS 80 -9.375 -8.882 -10.849 712 HZ1 LYS 80 HZ1 LYS 80 -11.712 -9.371 -10.592 713 HZ2 LYS 80 HZ2 LYS 80 -11.372 -10.625 -9.510 714 HZ3 LYS 80 HZ3 LYS 80 -10.895 -10.752 -11.128 715 H GLY 81 H GLY 81 -5.656 -12.246 -5.215 716 HA2 GLY 81 HA2 GLY 81 -4.478 -14.251 -4.651 717 HA3 GLY 81 HA3 GLY 81 -3.948 -14.371 -6.320 718 H GLN 82 H GLN 82 -3.448 -11.258 -5.911 719 HA GLN 82 HA GLN 82 -0.730 -11.676 -4.882 720 HB2 GLN 82 HB2 GLN 82 -0.987 -9.049 -5.876 721 HB3 GLN 82 HB3 GLN 82 -0.056 -10.371 -6.563 722 HG2 GLN 82 HG2 GLN 82 -1.424 -10.513 -8.298 723 HG3 GLN 82 HG3 GLN 82 -2.845 -10.592 -7.260 724 HE21 GLN 82 HE21 GLN 82 -2.425 -8.063 -5.985 725 HE22 GLN 82 HE22 GLN 82 -2.781 -6.839 -7.148 726 H VAL 83 H VAL 83 0.040 -10.529 -3.138 727 HA VAL 83 HA VAL 83 -1.924 -9.486 -1.357 728 HB VAL 83 HB VAL 83 1.042 -9.054 -1.030 729 HG11 VAL 83 HG11 VAL 83 0.103 -9.667 1.406 730 HG12 VAL 83 HG12 VAL 83 -1.331 -8.925 0.694 731 HG13 VAL 83 HG13 VAL 83 0.182 -8.026 0.768 732 HG21 VAL 83 HG21 VAL 83 0.708 -11.404 -1.627 733 HG22 VAL 83 HG22 VAL 83 -0.478 -11.559 -0.333 734 HG23 VAL 83 HG23 VAL 83 1.210 -11.225 0.054 735 H GLN 84 H GLN 84 -2.000 -7.308 -0.483 736 HA GLN 84 HA GLN 84 -0.749 -5.234 -2.113 737 HB2 GLN 84 HB2 GLN 84 -3.325 -6.025 -2.692 738 HB3 GLN 84 HB3 GLN 84 -3.580 -4.666 -1.608 739 HG2 GLN 84 HG2 GLN 84 -2.356 -3.203 -3.031 740 HG3 GLN 84 HG3 GLN 84 -1.818 -4.546 -4.037 741 HE21 GLN 84 HE21 GLN 84 -4.420 -2.413 -3.238 742 HE22 GLN 84 HE22 GLN 84 -5.455 -2.841 -4.584 743 H LEU 85 H LEU 85 -1.235 -3.026 -1.160 744 HA LEU 85 HA LEU 85 -1.531 -3.200 1.764 745 HB2 LEU 85 HB2 LEU 85 0.840 -2.836 0.485 746 HB3 LEU 85 HB3 LEU 85 0.336 -1.177 0.729 747 HG LEU 85 HG LEU 85 -0.016 -2.610 3.181 748 HD11 LEU 85 HD11 LEU 85 2.317 -3.198 3.635 749 HD12 LEU 85 HD12 LEU 85 2.737 -2.831 1.961 750 HD13 LEU 85 HD13 LEU 85 1.650 -4.172 2.324 751 HD21 LEU 85 HD21 LEU 85 1.601 -0.895 3.958 752 HD22 LEU 85 HD22 LEU 85 0.251 -0.229 3.035 753 HD23 LEU 85 HD23 LEU 85 1.835 -0.410 2.276 754 H ASN 86 H ASN 86 -2.405 -1.344 2.783 755 HA ASN 86 HA ASN 86 -3.436 0.779 0.988 756 HB2 ASN 86 HB2 ASN 86 -5.038 -0.556 3.174 757 HB3 ASN 86 HB3 ASN 86 -5.595 0.701 2.102 758 HD21 ASN 86 HD21 ASN 86 -4.341 -2.528 2.189 759 HD22 ASN 86 HD22 ASN 86 -5.167 -3.107 0.791 760 H ALA 87 H ALA 87 -4.317 2.651 2.296 761 HA ALA 87 HA ALA 87 -3.176 2.678 4.992 762 HB1 ALA 87 HB1 ALA 87 -2.771 4.963 3.072 763 HB2 ALA 87 HB2 ALA 87 -1.552 3.742 3.431 764 HB3 ALA 87 HB3 ALA 87 -2.129 4.814 4.707 765 H GLY 88 H GLY 88 -4.754 3.102 6.327 766 HA2 GLY 88 HA2 GLY 88 -6.814 5.036 5.522 767 HA3 GLY 88 HA3 GLY 88 -7.092 3.713 6.562 768 H SER 89 H SER 89 -7.527 4.361 8.570 769 HA SER 89 HA SER 89 -6.584 6.915 9.466 770 HB2 SER 89 HB2 SER 89 -8.242 4.864 10.949 771 HB3 SER 89 HB3 SER 89 -7.944 6.520 11.477 772 HG SER 89 HG SER 89 -9.849 5.661 9.877 773 H LYS 90 H LYS 90 -6.150 3.588 10.888 774 HA LYS 90 HA LYS 90 -4.372 4.552 12.892 775 HB2 LYS 90 HB2 LYS 90 -3.783 2.256 13.396 776 HB3 LYS 90 HB3 LYS 90 -5.508 2.354 13.184 777 HG2 LYS 90 HG2 LYS 90 -3.800 1.543 10.894 778 HG3 LYS 90 HG3 LYS 90 -4.168 0.393 12.176 779 HD2 LYS 90 HD2 LYS 90 -6.439 1.921 11.056 780 HD3 LYS 90 HD3 LYS 90 -5.700 0.699 10.022 781 HE2 LYS 90 HE2 LYS 90 -7.528 -0.281 11.246 782 HE3 LYS 90 HE3 LYS 90 -6.005 -0.964 11.814 783 HZ1 LYS 90 HZ1 LYS 90 -6.105 0.638 13.682 784 HZ2 LYS 90 HZ2 LYS 90 -7.379 -0.474 13.687 785 HZ3 LYS 90 HZ3 LYS 90 -7.646 1.112 13.162 786 H THR 91 H THR 91 -3.968 4.404 9.674 787 HA THR 91 HA THR 91 -1.105 3.781 9.734 788 HB THR 91 HB THR 91 -2.667 4.601 7.288 789 HG1 THR 91 HG1 THR 91 -2.746 2.094 8.614 790 HG21 THR 91 HG21 THR 91 -0.377 2.677 7.708 791 HG22 THR 91 HG22 THR 91 -0.245 4.326 7.097 792 HG23 THR 91 HG23 THR 91 -1.100 3.104 6.157 793 H LYS 92 H LYS 92 0.279 5.480 9.933 794 HA LYS 92 HA LYS 92 -0.635 8.145 9.054 795 HB2 LYS 92 HB2 LYS 92 0.745 7.228 11.471 796 HB3 LYS 92 HB3 LYS 92 1.552 8.580 10.689 797 HG2 LYS 92 HG2 LYS 92 0.086 9.501 12.285 798 HG3 LYS 92 HG3 LYS 92 -0.660 9.776 10.711 799 HD2 LYS 92 HD2 LYS 92 -2.104 7.816 11.074 800 HD3 LYS 92 HD3 LYS 92 -1.371 7.583 12.662 801 HE2 LYS 92 HE2 LYS 92 -2.150 9.835 13.313 802 HE3 LYS 92 HE3 LYS 92 -2.946 9.987 11.747 803 HZ1 LYS 92 HZ1 LYS 92 -4.506 9.299 13.442 804 HZ2 LYS 92 HZ2 LYS 92 -3.559 7.948 13.817 805 HZ3 LYS 92 HZ3 LYS 92 -4.308 8.062 12.305 806 H ILE 93 H ILE 93 0.265 8.624 7.113 807 HA ILE 93 HA ILE 93 2.892 7.493 6.491 808 HB ILE 93 HB ILE 93 1.289 9.164 4.583 809 HG12 ILE 93 HG12 ILE 93 0.931 6.187 5.033 810 HG13 ILE 93 HG13 ILE 93 -0.219 7.424 5.522 811 HG21 ILE 93 HG21 ILE 93 3.587 8.583 3.993 812 HG22 ILE 93 HG22 ILE 93 2.430 7.797 2.913 813 HG23 ILE 93 HG23 ILE 93 3.209 6.870 4.196 814 HD11 ILE 93 HD11 ILE 93 0.560 6.639 2.732 815 HD12 ILE 93 HD12 ILE 93 -0.370 8.088 3.111 816 HD13 ILE 93 HD13 ILE 93 -1.015 6.497 3.512 817 H ALA 94 H ALA 94 4.696 8.682 6.071 818 HA ALA 94 HA ALA 94 4.703 11.576 5.789 819 HB1 ALA 94 HB1 ALA 94 5.960 12.039 7.772 820 HB2 ALA 94 HB2 ALA 94 5.681 10.390 8.398 821 HB3 ALA 94 HB3 ALA 94 4.319 11.508 8.205 822 H GLU 95 H GLU 95 6.682 12.462 5.206 823 HA GLU 95 HA GLU 95 8.451 10.758 3.844 824 HB2 GLU 95 HB2 GLU 95 9.174 13.573 4.644 825 HB3 GLU 95 HB3 GLU 95 9.461 12.603 3.373 826 HG2 GLU 95 HG2 GLU 95 8.077 13.683 2.274 827 HG3 GLU 95 HG3 GLU 95 6.921 12.674 2.959 828 H ALA 96 H ALA 96 10.296 9.907 4.357 829 HA ALA 96 HA ALA 96 11.378 10.366 7.077 830 HB1 ALA 96 HB1 ALA 96 11.760 8.079 7.453 831 HB2 ALA 96 HB2 ALA 96 11.500 7.679 5.750 832 HB3 ALA 96 HB3 ALA 96 10.132 8.152 6.771 833 H SER 97 H SER 97 13.557 10.594 7.239 834 HA SER 97 HA SER 97 15.081 10.446 4.724 835 HB2 SER 97 HB2 SER 97 16.656 12.040 5.904 836 HB3 SER 97 HB3 SER 97 15.096 12.671 5.476 837 HG SER 97 HG SER 97 15.181 11.507 7.963 838 H GLU 98 H GLU 98 16.633 8.969 4.567 839 HA GLU 98 HA GLU 98 17.840 7.922 7.038 840 HB2 GLU 98 HB2 GLU 98 16.927 6.330 4.633 841 HB3 GLU 98 HB3 GLU 98 17.879 5.663 5.927 842 HG2 GLU 98 HG2 GLU 98 15.450 6.978 6.798 843 HG3 GLU 98 HG3 GLU 98 15.247 5.509 5.846 844 H ASP 99 H ASP 99 19.578 6.094 5.568 845 HA ASP 99 HA ASP 99 21.608 7.906 4.824 846 HB2 ASP 99 HB2 ASP 99 21.408 4.922 5.084 847 HB3 ASP 99 HB3 ASP 99 22.813 5.655 4.317 848 H GLY 100 H GLY 100 19.077 7.523 3.130 849 HA2 GLY 100 HA2 GLY 100 18.991 8.040 0.814 850 HA3 GLY 100 HA3 GLY 100 20.547 7.259 0.578 851 H PHE 101 H PHE 101 17.109 6.701 1.079 852 HA PHE 101 HA PHE 101 17.112 3.907 0.853 853 HB2 PHE 101 HB2 PHE 101 15.192 5.913 1.166 854 HB3 PHE 101 HB3 PHE 101 14.760 5.120 -0.344 855 HD1 PHE 101 HD2 PHE 101 15.730 4.266 3.161 856 HD2 PHE 101 HD1 PHE 101 13.392 3.280 -0.254 857 HE1 PHE 101 HE2 PHE 101 14.685 2.437 4.414 858 HE2 PHE 101 HE1 PHE 101 12.320 1.481 0.959 859 HZ PHE 101 HZ PHE 101 12.977 1.028 3.340 860 HA PRO 102 HA PRO 102 18.139 2.945 -3.333 861 HB2 PRO 102 HB2 PRO 102 15.703 1.223 -3.281 862 HB3 PRO 102 HB3 PRO 102 17.361 0.813 -3.742 863 HG2 PRO 102 HG2 PRO 102 16.407 0.024 -1.403 864 HG3 PRO 102 HG3 PRO 102 18.079 0.601 -1.552 865 HD2 PRO 102 HD2 PRO 102 15.698 1.980 -0.403 866 HD3 PRO 102 HD3 PRO 102 17.408 2.046 0.100 867 H GLU 103 H GLU 103 17.618 3.631 -5.362 868 HA GLU 103 HA GLU 103 15.448 5.472 -5.634 869 HB2 GLU 103 HB2 GLU 103 17.834 5.375 -6.794 870 HB3 GLU 103 HB3 GLU 103 16.945 4.473 -8.012 871 HG2 GLU 103 HG2 GLU 103 15.512 6.302 -8.456 872 HG3 GLU 103 HG3 GLU 103 16.081 7.177 -7.035 873 H SER 104 H SER 104 13.858 5.375 -7.391 874 HA SER 104 HA SER 104 12.351 2.993 -7.295 875 HB2 SER 104 HB2 SER 104 12.007 5.114 -9.409 876 HB3 SER 104 HB3 SER 104 10.773 4.102 -8.659 877 HG SER 104 HG SER 104 12.259 6.162 -7.391 878 H SER 105 H SER 105 14.802 4.134 -9.473 879 HA SER 105 HA SER 105 14.163 2.241 -11.557 880 HB2 SER 105 HB2 SER 105 15.752 4.588 -11.341 881 HB3 SER 105 HB3 SER 105 16.816 3.272 -11.837 882 HG SER 105 HG SER 105 15.756 3.083 -13.681 883 H GLN 106 H GLN 106 15.585 1.974 -8.586 884 HA GLN 106 HA GLN 106 17.154 -0.370 -9.439 885 HB2 GLN 106 HB2 GLN 106 17.767 1.363 -7.054 886 HB3 GLN 106 HB3 GLN 106 18.736 0.069 -7.673 887 HG2 GLN 106 HG2 GLN 106 18.877 1.506 -9.822 888 HG3 GLN 106 HG3 GLN 106 18.283 2.804 -8.788 889 HE21 GLN 106 HE21 GLN 106 20.595 0.172 -8.240 890 HE22 GLN 106 HE22 GLN 106 21.908 1.192 -7.772 891 H ILE 107 H ILE 107 14.355 0.354 -8.194 892 HA ILE 107 HA ILE 107 14.452 -1.370 -5.840 893 HB ILE 107 HB ILE 107 12.484 0.602 -6.908 894 HG12 ILE 107 HG12 ILE 107 13.195 0.046 -4.041 895 HG13 ILE 107 HG13 ILE 107 14.288 0.953 -5.081 896 HG21 ILE 107 HG21 ILE 107 10.725 -0.210 -5.427 897 HG22 ILE 107 HG22 ILE 107 11.729 -1.598 -4.971 898 HG23 ILE 107 HG23 ILE 107 11.141 -1.428 -6.633 899 HD11 ILE 107 HD11 ILE 107 11.501 1.853 -5.050 900 HD12 ILE 107 HD12 ILE 107 13.011 2.769 -5.083 901 HD13 ILE 107 HD13 ILE 107 12.418 2.073 -3.558 902 HA PRO 108 HA PRO 108 13.333 -4.942 -8.321 903 HB2 PRO 108 HB2 PRO 108 12.375 -5.875 -5.657 904 HB3 PRO 108 HB3 PRO 108 13.428 -6.691 -6.822 905 HG2 PRO 108 HG2 PRO 108 14.460 -5.622 -4.633 906 HG3 PRO 108 HG3 PRO 108 15.305 -5.494 -6.190 907 HD2 PRO 108 HD2 PRO 108 13.738 -3.425 -4.719 908 HD3 PRO 108 HD3 PRO 108 15.216 -3.250 -5.687 909 H GLU 109 H GLU 109 11.381 -6.211 -8.732 910 HA GLU 109 HA GLU 109 8.924 -4.713 -8.089 911 HB2 GLU 109 HB2 GLU 109 8.088 -5.568 -10.339 912 HB3 GLU 109 HB3 GLU 109 9.314 -4.309 -10.388 913 HG2 GLU 109 HG2 GLU 109 11.009 -5.862 -10.970 914 HG3 GLU 109 HG3 GLU 109 9.950 -7.234 -10.644 915 H ASN 110 H ASN 110 10.416 -7.325 -7.178 916 HA ASN 110 HA ASN 110 8.844 -9.544 -7.718 917 HB2 ASN 110 HB2 ASN 110 11.057 -9.173 -6.260 918 HB3 ASN 110 HB3 ASN 110 9.884 -9.244 -4.947 919 HD21 ASN 110 HD21 ASN 110 11.815 -11.020 -7.018 920 HD22 ASN 110 HD22 ASN 110 11.137 -12.582 -6.732 921 H THR 111 H THR 111 6.804 -10.029 -7.293 922 HA THR 111 HA THR 111 5.268 -8.357 -5.485 923 HB THR 111 HB THR 111 3.647 -10.441 -6.537 924 HG1 THR 111 HG1 THR 111 5.498 -9.340 -8.391 925 HG21 THR 111 HG21 THR 111 2.994 -8.090 -6.047 926 HG22 THR 111 HG22 THR 111 2.506 -8.625 -7.656 927 HG23 THR 111 HG23 THR 111 3.910 -7.577 -7.464 928 HA PRO 112 HA PRO 112 5.978 -11.342 -2.176 929 HB2 PRO 112 HB2 PRO 112 3.852 -9.705 -0.905 930 HB3 PRO 112 HB3 PRO 112 5.445 -10.167 -0.288 931 HG2 PRO 112 HG2 PRO 112 5.023 -7.688 -1.118 932 HG3 PRO 112 HG3 PRO 112 6.552 -8.517 -1.478 933 HD2 PRO 112 HD2 PRO 112 4.217 -8.018 -3.273 934 HD3 PRO 112 HD3 PRO 112 5.955 -7.928 -3.626 935 H THR 113 H THR 113 4.959 -13.219 -1.670 936 HA THR 113 HA THR 113 2.071 -13.453 -1.842 937 HB THR 113 HB THR 113 3.277 -15.664 -3.303 938 HG1 THR 113 HG1 THR 113 3.529 -14.254 -5.238 939 HG21 THR 113 HG21 THR 113 0.869 -15.212 -3.192 940 HG22 THR 113 HG22 THR 113 1.449 -15.185 -4.857 941 HG23 THR 113 HG23 THR 113 1.120 -13.673 -4.014 942 H ALA 114 H ALA 114 1.398 -14.675 -0.208 943 HA ALA 114 HA ALA 114 3.180 -15.988 1.545 944 HB1 ALA 114 HB1 ALA 114 1.180 -16.762 2.707 945 HB2 ALA 114 HB2 ALA 114 0.183 -16.270 1.338 946 HB3 ALA 114 HB3 ALA 114 1.044 -15.056 2.284 947 H ARG 115 H ARG 115 2.982 -18.303 2.185 948 HA ARG 115 HA ARG 115 3.187 -19.962 -0.185 949 HB2 ARG 115 HB2 ARG 115 3.947 -21.708 1.465 950 HB3 ARG 115 HB3 ARG 115 4.943 -20.260 1.398 951 HG2 ARG 115 HG2 ARG 115 3.728 -19.414 3.400 952 HG3 ARG 115 HG3 ARG 115 2.915 -20.978 3.501 953 HD2 ARG 115 HD2 ARG 115 4.884 -20.798 4.992 954 HD3 ARG 115 HD3 ARG 115 5.015 -22.105 3.817 955 HE ARG 115 HE ARG 115 6.330 -19.506 3.383 956 HH11 ARG 115 HH11 ARG 115 6.438 -22.984 3.600 957 HH12 ARG 115 HH12 ARG 115 8.071 -23.096 3.037 958 HH21 ARG 115 HH21 ARG 115 8.481 -19.647 2.639 959 HH22 ARG 115 HH22 ARG 115 9.234 -21.199 2.492 960 H ARG 116 H ARG 116 1.886 -21.662 -0.707 961 HA ARG 116 HA ARG 116 -0.571 -21.958 0.892 962 HB2 ARG 116 HB2 ARG 116 -0.080 -22.147 -2.070 963 HB3 ARG 116 HB3 ARG 116 -1.506 -22.861 -1.331 964 HG2 ARG 116 HG2 ARG 116 -2.086 -20.628 -0.421 965 HG3 ARG 116 HG3 ARG 116 -0.724 -19.955 -1.318 966 HD2 ARG 116 HD2 ARG 116 -2.439 -21.604 -2.981 967 HD3 ARG 116 HD3 ARG 116 -3.314 -20.263 -2.241 968 HE ARG 116 HE ARG 116 -1.360 -20.107 -4.320 969 HH11 ARG 116 HH11 ARG 116 -2.747 -18.392 -1.623 970 HH12 ARG 116 HH12 ARG 116 -2.353 -16.827 -2.249 971 HH21 ARG 116 HH21 ARG 116 -0.836 -18.050 -5.153 972 HH22 ARG 116 HH22 ARG 116 -1.267 -16.632 -4.257 973 H ARG 117 H ARG 117 -1.436 -24.038 1.201 974 HA ARG 117 HA ARG 117 0.553 -26.109 1.391 975 HB2 ARG 117 HB2 ARG 117 -2.394 -26.402 1.948 976 HB3 ARG 117 HB3 ARG 117 -1.069 -27.348 2.611 977 HG2 ARG 117 HG2 ARG 117 -0.301 -25.421 3.876 978 HG3 ARG 117 HG3 ARG 117 -1.590 -24.437 3.180 979 HD2 ARG 117 HD2 ARG 117 -2.348 -26.961 4.550 980 HD3 ARG 117 HD3 ARG 117 -1.830 -25.604 5.551 981 HE ARG 117 HE ARG 117 -3.712 -24.647 3.734 982 HH11 ARG 117 HH11 ARG 117 -3.560 -26.864 6.420 983 HH12 ARG 117 HH12 ARG 117 -5.210 -26.618 6.884 984 HH21 ARG 117 HH21 ARG 117 -5.884 -24.316 4.338 985 HH22 ARG 117 HH22 ARG 117 -6.532 -25.169 5.700
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