NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
579887 | 2mo0 | 19915 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 2.373 1.019 -1.459 3 HB2 MET 1 HB2 MET 1 3.989 -0.689 -1.951 4 HB3 MET 1 HB3 MET 1 3.890 -0.514 -0.204 5 HG2 MET 1 HG2 MET 1 3.696 -2.724 -0.149 6 HG3 MET 1 HG3 MET 1 2.045 -2.472 -0.712 7 HE1 MET 1 HE1 MET 1 3.061 -5.591 -2.451 8 HE2 MET 1 HE2 MET 1 4.652 -5.201 -1.798 9 HE3 MET 1 HE3 MET 1 3.208 -4.948 -0.815 10 H LYS 2 H LYS 2 1.822 0.988 -3.559 11 HA LYS 2 HA LYS 2 0.035 -1.170 -4.475 12 HB2 LYS 2 HB2 LYS 2 -0.061 1.759 -5.219 13 HB3 LYS 2 HB3 LYS 2 -1.077 0.504 -5.916 14 HG2 LYS 2 HG2 LYS 2 -1.059 1.423 -3.050 15 HG3 LYS 2 HG3 LYS 2 -2.318 1.713 -4.253 16 HD2 LYS 2 HD2 LYS 2 -2.401 -0.877 -4.416 17 HD3 LYS 2 HD3 LYS 2 -1.583 -0.830 -2.852 18 HE2 LYS 2 HE2 LYS 2 -3.411 0.615 -2.000 19 HE3 LYS 2 HE3 LYS 2 -4.242 0.416 -3.542 20 HZ1 LYS 2 HZ1 LYS 2 -5.135 -1.136 -1.988 21 HZ2 LYS 2 HZ2 LYS 2 -3.600 -1.713 -1.577 22 HZ3 LYS 2 HZ3 LYS 2 -4.229 -2.009 -3.119 23 H LYS 3 H LYS 3 0.239 -1.848 -6.628 24 HA LYS 3 HA LYS 3 2.545 -0.809 -8.118 25 HB2 LYS 3 HB2 LYS 3 1.994 -3.763 -7.911 26 HB3 LYS 3 HB3 LYS 3 3.429 -2.965 -8.542 27 HG2 LYS 3 HG2 LYS 3 4.014 -2.215 -6.302 28 HG3 LYS 3 HG3 LYS 3 2.559 -2.980 -5.658 29 HD2 LYS 3 HD2 LYS 3 4.505 -4.394 -5.289 30 HD3 LYS 3 HD3 LYS 3 3.385 -5.165 -6.414 31 HE2 LYS 3 HE2 LYS 3 5.394 -3.482 -7.710 32 HE3 LYS 3 HE3 LYS 3 6.077 -4.838 -6.813 33 HZ1 LYS 3 HZ1 LYS 3 4.840 -4.869 -9.323 34 HZ2 LYS 3 HZ2 LYS 3 3.873 -5.766 -8.265 35 HZ3 LYS 3 HZ3 LYS 3 5.503 -6.169 -8.467 36 H GLY 4 H GLY 4 2.211 -0.590 -10.261 37 HA2 GLY 4 HA2 GLY 4 0.419 -2.180 -11.777 38 HA3 GLY 4 HA3 GLY 4 -0.346 -0.656 -11.351 39 H THR 5 H THR 5 -0.075 -1.137 -13.956 40 HA THR 5 HA THR 5 2.407 -0.050 -14.967 41 HB THR 5 HB THR 5 1.311 -0.248 -17.198 42 HG1 THR 5 HG1 THR 5 -0.880 -0.019 -16.215 43 HG21 THR 5 HG21 THR 5 2.608 -2.111 -16.421 44 HG22 THR 5 HG22 THR 5 1.139 -2.745 -17.163 45 HG23 THR 5 HG23 THR 5 1.281 -2.676 -15.406 46 H VAL 6 H VAL 6 2.683 1.925 -15.985 47 HA VAL 6 HA VAL 6 0.865 4.012 -15.125 48 HB VAL 6 HB VAL 6 3.538 4.000 -15.290 49 HG11 VAL 6 HG11 VAL 6 3.451 3.793 -17.768 50 HG12 VAL 6 HG12 VAL 6 2.699 5.388 -17.830 51 HG13 VAL 6 HG13 VAL 6 4.337 5.208 -17.201 52 HG21 VAL 6 HG21 VAL 6 3.145 5.948 -14.302 53 HG22 VAL 6 HG22 VAL 6 2.778 6.676 -15.865 54 HG23 VAL 6 HG23 VAL 6 1.492 5.932 -14.916 55 H LYS 7 H LYS 7 -0.262 5.410 -16.458 56 HA LYS 7 HA LYS 7 -0.753 4.396 -19.165 57 HB2 LYS 7 HB2 LYS 7 -2.647 4.704 -17.508 58 HB3 LYS 7 HB3 LYS 7 -2.385 6.437 -17.654 59 HG2 LYS 7 HG2 LYS 7 -4.147 5.955 -19.114 60 HG3 LYS 7 HG3 LYS 7 -2.728 6.126 -20.151 61 HD2 LYS 7 HD2 LYS 7 -3.095 3.398 -19.221 62 HD3 LYS 7 HD3 LYS 7 -4.494 3.994 -20.117 63 HE2 LYS 7 HE2 LYS 7 -1.772 4.481 -21.223 64 HE3 LYS 7 HE3 LYS 7 -2.454 2.860 -21.345 65 HZ1 LYS 7 HZ1 LYS 7 -3.544 5.376 -22.465 66 HZ2 LYS 7 HZ2 LYS 7 -4.457 3.957 -22.357 67 HZ3 LYS 7 HZ3 LYS 7 -3.055 3.991 -23.303 68 H TRP 8 H TRP 8 0.396 7.175 -17.410 69 HA TRP 8 HA TRP 8 1.708 8.269 -19.642 70 HB2 TRP 8 HB2 TRP 8 0.406 10.132 -20.239 71 HB3 TRP 8 HB3 TRP 8 -0.758 8.815 -20.128 72 HD1 TRP 8 HD1 TRP 8 0.399 11.933 -18.183 73 HE1 TRP 8 HE1 TRP 8 -1.516 12.670 -16.629 74 HE3 TRP 8 HE3 TRP 8 -2.825 8.042 -18.964 75 HZ2 TRP 8 HZ2 TRP 8 -4.056 11.727 -15.838 76 HZ3 TRP 8 HZ3 TRP 8 -4.976 8.035 -17.770 77 HH2 TRP 8 HH2 TRP 8 -5.577 9.840 -16.239 78 H PHE 9 H PHE 9 3.237 9.703 -19.000 79 HA PHE 9 HA PHE 9 2.971 10.964 -16.370 80 HB2 PHE 9 HB2 PHE 9 4.220 8.998 -15.842 81 HB3 PHE 9 HB3 PHE 9 5.256 9.200 -17.252 82 HD1 PHE 9 HD1 PHE 9 4.417 10.596 -13.939 83 HD2 PHE 9 HD2 PHE 9 7.197 10.530 -17.161 84 HE1 PHE 9 HE1 PHE 9 6.034 11.841 -12.564 85 HE2 PHE 9 HE2 PHE 9 8.819 11.774 -15.792 86 HZ PHE 9 HZ PHE 9 8.239 12.430 -13.490 87 H ASN 10 H ASN 10 2.865 13.018 -17.135 88 HA ASN 10 HA ASN 10 4.452 14.007 -19.272 89 HB2 ASN 10 HB2 ASN 10 2.205 14.893 -18.125 90 HB3 ASN 10 HB3 ASN 10 3.358 15.893 -17.246 91 HD21 ASN 10 HD21 ASN 10 3.046 17.838 -18.124 92 HD22 ASN 10 HD22 ASN 10 3.212 18.204 -19.804 93 H ALA 11 H ALA 11 6.577 14.272 -19.185 94 HA ALA 11 HA ALA 11 7.926 14.695 -16.653 95 HB1 ALA 11 HB1 ALA 11 9.982 14.673 -18.195 96 HB2 ALA 11 HB2 ALA 11 9.068 13.177 -18.001 97 HB3 ALA 11 HB3 ALA 11 8.856 14.158 -19.451 98 H GLU 12 H GLU 12 6.819 16.565 -19.321 99 HA GLU 12 HA GLU 12 8.617 18.726 -19.194 100 HB2 GLU 12 HB2 GLU 12 5.893 18.285 -20.301 101 HB3 GLU 12 HB3 GLU 12 6.406 19.951 -20.070 102 HG2 GLU 12 HG2 GLU 12 8.166 18.016 -21.513 103 HG3 GLU 12 HG3 GLU 12 6.817 18.792 -22.341 104 H LYS 13 H LYS 13 5.412 18.292 -17.707 105 HA LYS 13 HA LYS 13 5.738 20.700 -16.129 106 HB2 LYS 13 HB2 LYS 13 3.540 18.643 -16.327 107 HB3 LYS 13 HB3 LYS 13 3.496 19.971 -15.175 108 HG2 LYS 13 HG2 LYS 13 3.819 20.423 -18.125 109 HG3 LYS 13 HG3 LYS 13 2.237 20.286 -17.353 110 HD2 LYS 13 HD2 LYS 13 2.928 22.133 -15.809 111 HD3 LYS 13 HD3 LYS 13 4.382 22.331 -16.790 112 HE2 LYS 13 HE2 LYS 13 3.176 23.076 -18.639 113 HE3 LYS 13 HE3 LYS 13 1.662 22.396 -18.045 114 HZ1 LYS 13 HZ1 LYS 13 1.328 24.140 -16.624 115 HZ2 LYS 13 HZ2 LYS 13 2.112 24.939 -17.892 116 HZ3 LYS 13 HZ3 LYS 13 2.972 24.519 -16.498 117 H GLY 14 H GLY 14 5.806 17.210 -15.661 118 HA2 GLY 14 HA2 GLY 14 7.215 16.235 -13.987 119 HA3 GLY 14 HA3 GLY 14 6.987 17.677 -13.008 120 H TYR 15 H TYR 15 4.510 15.754 -14.644 121 HA TYR 15 HA TYR 15 3.596 14.700 -12.080 122 HB2 TYR 15 HB2 TYR 15 1.403 15.569 -12.234 123 HB3 TYR 15 HB3 TYR 15 2.462 16.935 -12.569 124 HD1 TYR 15 HD1 TYR 15 0.090 14.538 -14.032 125 HD2 TYR 15 HD2 TYR 15 2.512 17.963 -14.748 126 HE1 TYR 15 HE1 TYR 15 -1.096 14.926 -16.151 127 HE2 TYR 15 HE2 TYR 15 1.331 18.361 -16.868 128 HH TYR 15 HH TYR 15 -0.161 16.427 -18.534 129 H GLY 16 H GLY 16 1.752 13.135 -12.399 130 HA2 GLY 16 HA2 GLY 16 1.203 12.048 -14.957 131 HA3 GLY 16 HA3 GLY 16 2.475 11.119 -14.176 132 H PHE 17 H PHE 17 0.347 9.701 -14.732 133 HA PHE 17 HA PHE 17 -0.879 9.253 -12.114 134 HB2 PHE 17 HB2 PHE 17 -2.300 9.976 -14.614 135 HB3 PHE 17 HB3 PHE 17 -3.005 8.671 -13.665 136 HD1 PHE 17 HD2 PHE 17 -1.693 12.136 -13.287 137 HD2 PHE 17 HD1 PHE 17 -4.452 9.184 -11.948 138 HE1 PHE 17 HE2 PHE 17 -2.735 13.792 -11.795 139 HE2 PHE 17 HE1 PHE 17 -5.499 10.836 -10.455 140 HZ PHE 17 HZ PHE 17 -4.640 13.142 -10.376 141 H ILE 18 H ILE 18 -0.762 7.184 -11.548 142 HA ILE 18 HA ILE 18 -0.041 5.215 -13.593 143 HB ILE 18 HB ILE 18 0.045 4.953 -10.585 144 HG12 ILE 18 HG12 ILE 18 2.457 5.146 -12.354 145 HG13 ILE 18 HG13 ILE 18 1.630 6.616 -11.850 146 HG21 ILE 18 HG21 ILE 18 0.980 3.160 -12.812 147 HG22 ILE 18 HG22 ILE 18 1.532 2.998 -11.146 148 HG23 ILE 18 HG23 ILE 18 -0.176 2.792 -11.533 149 HD11 ILE 18 HD11 ILE 18 1.882 5.683 -9.470 150 HD12 ILE 18 HD12 ILE 18 3.087 4.611 -10.184 151 HD13 ILE 18 HD13 ILE 18 3.299 6.360 -10.271 152 H GLN 19 H GLN 19 -1.078 3.174 -13.703 153 HA GLN 19 HA GLN 19 -3.766 3.103 -12.501 154 HB2 GLN 19 HB2 GLN 19 -3.139 1.934 -15.201 155 HB3 GLN 19 HB3 GLN 19 -4.713 2.285 -14.501 156 HG2 GLN 19 HG2 GLN 19 -2.694 4.210 -15.602 157 HG3 GLN 19 HG3 GLN 19 -4.348 3.925 -16.140 158 HE21 GLN 19 HE21 GLN 19 -2.634 6.226 -14.898 159 HE22 GLN 19 HE22 GLN 19 -3.732 6.934 -13.768 160 H GLN 20 H GLN 20 -4.465 1.172 -11.690 161 HA GLN 20 HA GLN 20 -2.454 -0.965 -11.578 162 HB2 GLN 20 HB2 GLN 20 -4.859 -0.621 -9.787 163 HB3 GLN 20 HB3 GLN 20 -3.485 -1.690 -9.537 164 HG2 GLN 20 HG2 GLN 20 -2.496 0.952 -9.800 165 HG3 GLN 20 HG3 GLN 20 -3.842 0.981 -8.662 166 HE21 GLN 20 HE21 GLN 20 -3.767 -0.897 -7.053 167 HE22 GLN 20 HE22 GLN 20 -2.229 -1.205 -6.329 168 H GLU 21 H GLU 21 -4.065 -3.063 -10.770 169 HA GLU 21 HA GLU 21 -4.854 -4.232 -13.127 170 HB2 GLU 21 HB2 GLU 21 -5.980 -5.902 -11.815 171 HB3 GLU 21 HB3 GLU 21 -4.530 -5.407 -10.953 172 HG2 GLU 21 HG2 GLU 21 -6.157 -3.761 -9.749 173 HG3 GLU 21 HG3 GLU 21 -7.390 -4.894 -10.301 174 H GLU 22 H GLU 22 -6.639 -2.039 -11.090 175 HA GLU 22 HA GLU 22 -9.007 -2.357 -12.807 176 HB2 GLU 22 HB2 GLU 22 -8.876 -0.934 -10.149 177 HB3 GLU 22 HB3 GLU 22 -10.316 -1.408 -11.040 178 HG2 GLU 22 HG2 GLU 22 -9.432 -3.811 -10.750 179 HG3 GLU 22 HG3 GLU 22 -8.414 -3.115 -9.490 180 H GLY 23 H GLY 23 -6.674 -0.048 -11.561 181 HA2 GLY 23 HA2 GLY 23 -5.977 1.924 -12.584 182 HA3 GLY 23 HA3 GLY 23 -7.282 1.751 -13.748 183 HA PRO 24 HA PRO 24 -9.300 3.742 -9.834 184 HB2 PRO 24 HB2 PRO 24 -7.626 4.460 -7.821 185 HB3 PRO 24 HB3 PRO 24 -8.394 2.871 -7.910 186 HG2 PRO 24 HG2 PRO 24 -5.621 3.681 -8.693 187 HG3 PRO 24 HG3 PRO 24 -6.159 2.236 -7.817 188 HD2 PRO 24 HD2 PRO 24 -5.555 2.198 -10.456 189 HD3 PRO 24 HD3 PRO 24 -6.800 1.151 -9.747 190 H ASP 25 H ASP 25 -6.388 5.338 -8.852 191 HA ASP 25 HA ASP 25 -5.957 7.260 -10.741 192 HB2 ASP 25 HB2 ASP 25 -7.335 9.184 -9.623 193 HB3 ASP 25 HB3 ASP 25 -8.108 8.126 -10.801 194 H VAL 26 H VAL 26 -3.927 7.417 -9.963 195 HA VAL 26 HA VAL 26 -3.608 8.424 -7.210 196 HB VAL 26 HB VAL 26 -2.595 6.071 -8.138 197 HG11 VAL 26 HG11 VAL 26 -1.133 7.422 -9.693 198 HG12 VAL 26 HG12 VAL 26 -0.282 7.991 -8.256 199 HG13 VAL 26 HG13 VAL 26 -0.294 6.272 -8.652 200 HG21 VAL 26 HG21 VAL 26 -2.735 6.900 -5.801 201 HG22 VAL 26 HG22 VAL 26 -1.225 6.062 -6.161 202 HG23 VAL 26 HG23 VAL 26 -1.259 7.824 -6.080 203 H PHE 27 H PHE 27 -2.198 10.111 -6.852 204 HA PHE 27 HA PHE 27 -1.426 11.608 -9.247 205 HB2 PHE 27 HB2 PHE 27 -2.830 12.641 -7.382 206 HB3 PHE 27 HB3 PHE 27 -1.366 12.614 -6.404 207 HD1 PHE 27 HD2 PHE 27 -2.930 14.035 -9.419 208 HD2 PHE 27 HD1 PHE 27 0.363 14.202 -6.728 209 HE1 PHE 27 HE2 PHE 27 -2.243 16.185 -10.399 210 HE2 PHE 27 HE1 PHE 27 1.055 16.352 -7.702 211 HZ PHE 27 HZ PHE 27 -0.248 17.346 -9.540 212 H VAL 28 H VAL 28 0.598 11.472 -9.926 213 HA VAL 28 HA VAL 28 2.738 11.127 -7.931 214 HB VAL 28 HB VAL 28 3.856 9.549 -9.189 215 HG11 VAL 28 HG11 VAL 28 1.304 8.989 -8.531 216 HG12 VAL 28 HG12 VAL 28 1.262 8.648 -10.262 217 HG13 VAL 28 HG13 VAL 28 2.417 7.811 -9.225 218 HG21 VAL 28 HG21 VAL 28 4.028 10.667 -11.273 219 HG22 VAL 28 HG22 VAL 28 3.293 9.099 -11.608 220 HG23 VAL 28 HG23 VAL 28 2.292 10.550 -11.559 221 H HIS 29 H HIS 29 4.609 12.285 -8.241 222 HA HIS 29 HA HIS 29 4.623 14.162 -10.513 223 HB2 HIS 29 HB2 HIS 29 4.861 14.654 -7.617 224 HB3 HIS 29 HB3 HIS 29 6.057 15.484 -8.607 225 HD1 HIS 29 HD1 HIS 29 4.796 17.695 -7.801 226 HD2 HIS 29 HD2 HIS 29 2.637 15.190 -10.317 227 HE1 HIS 29 HE1 HIS 29 2.886 19.088 -8.659 228 H PHE 30 H PHE 30 6.757 14.936 -11.147 229 HA PHE 30 HA PHE 30 8.580 12.882 -11.581 230 HB2 PHE 30 HB2 PHE 30 9.993 14.499 -12.568 231 HB3 PHE 30 HB3 PHE 30 8.359 15.102 -12.825 232 HD1 PHE 30 HD2 PHE 30 7.479 16.732 -10.959 233 HD2 PHE 30 HD1 PHE 30 11.585 15.936 -11.749 234 HE1 PHE 30 HE2 PHE 30 8.095 18.858 -9.885 235 HE2 PHE 30 HE1 PHE 30 12.207 18.060 -10.675 236 HZ PHE 30 HZ PHE 30 10.461 19.525 -9.743 237 H THR 31 H THR 31 8.162 14.921 -8.846 238 HA THR 31 HA THR 31 10.809 14.286 -7.780 239 HB THR 31 HB THR 31 9.862 15.711 -5.799 240 HG1 THR 31 HG1 THR 31 8.295 16.847 -7.854 241 HG21 THR 31 HG21 THR 31 11.526 16.889 -6.749 242 HG22 THR 31 HG22 THR 31 10.230 17.786 -7.540 243 HG23 THR 31 HG23 THR 31 11.026 16.458 -8.383 244 H ALA 32 H ALA 32 8.467 12.369 -8.100 245 HA ALA 32 HA ALA 32 8.405 11.444 -5.301 246 HB1 ALA 32 HB1 ALA 32 6.190 11.607 -5.409 247 HB2 ALA 32 HB2 ALA 32 6.229 11.929 -7.144 248 HB3 ALA 32 HB3 ALA 32 6.227 10.267 -6.555 249 H ILE 33 H ILE 33 9.528 10.823 -8.362 250 HA ILE 33 HA ILE 33 9.314 7.928 -8.219 251 HB ILE 33 HB ILE 33 10.656 9.717 -10.248 252 HG12 ILE 33 HG12 ILE 33 8.680 8.430 -11.571 253 HG13 ILE 33 HG13 ILE 33 7.961 8.519 -9.967 254 HG21 ILE 33 HG21 ILE 33 10.257 7.214 -11.379 255 HG22 ILE 33 HG22 ILE 33 11.795 7.911 -10.874 256 HG23 ILE 33 HG23 ILE 33 10.892 6.875 -9.769 257 HD11 ILE 33 HD11 ILE 33 7.192 10.447 -10.938 258 HD12 ILE 33 HD12 ILE 33 8.639 11.027 -10.112 259 HD13 ILE 33 HD13 ILE 33 8.680 10.712 -11.847 260 H GLU 34 H GLU 34 10.868 6.579 -7.539 261 HA GLU 34 HA GLU 34 13.484 7.747 -6.848 262 HB2 GLU 34 HB2 GLU 34 12.255 5.351 -5.496 263 HB3 GLU 34 HB3 GLU 34 13.622 6.317 -4.958 264 HG2 GLU 34 HG2 GLU 34 11.509 8.116 -5.158 265 HG3 GLU 34 HG3 GLU 34 10.811 6.662 -4.446 266 H ALA 35 H ALA 35 14.363 7.212 -8.883 267 HA ALA 35 HA ALA 35 14.880 4.331 -9.231 268 HB1 ALA 35 HB1 ALA 35 14.102 4.374 -11.309 269 HB2 ALA 35 HB2 ALA 35 13.522 6.013 -11.011 270 HB3 ALA 35 HB3 ALA 35 15.119 5.756 -11.713 271 H ASP 36 H ASP 36 16.801 4.176 -10.970 272 HA ASP 36 HA ASP 36 19.002 5.678 -9.755 273 HB2 ASP 36 HB2 ASP 36 18.772 3.046 -11.143 274 HB3 ASP 36 HB3 ASP 36 20.312 3.897 -11.225 275 H GLY 37 H GLY 37 18.316 7.602 -11.000 276 HA2 GLY 37 HA2 GLY 37 19.941 8.482 -12.889 277 HA3 GLY 37 HA3 GLY 37 18.869 7.490 -13.867 278 H PHE 38 H PHE 38 17.277 8.558 -14.810 279 HA PHE 38 HA PHE 38 16.558 11.205 -13.842 280 HB2 PHE 38 HB2 PHE 38 15.907 9.677 -16.360 281 HB3 PHE 38 HB3 PHE 38 15.157 11.223 -15.975 282 HD1 PHE 38 HD2 PHE 38 17.125 12.960 -15.061 283 HD2 PHE 38 HD1 PHE 38 17.547 9.852 -17.938 284 HE1 PHE 38 HE2 PHE 38 19.047 14.139 -16.046 285 HE2 PHE 38 HE1 PHE 38 19.471 11.025 -18.928 286 HZ PHE 38 HZ PHE 38 20.222 13.172 -17.983 287 H ARG 39 H ARG 39 15.023 11.366 -12.353 288 HA ARG 39 HA ARG 39 13.225 9.364 -11.625 289 HB2 ARG 39 HB2 ARG 39 13.022 12.354 -11.231 290 HB3 ARG 39 HB3 ARG 39 12.011 11.169 -10.416 291 HG2 ARG 39 HG2 ARG 39 13.805 10.330 -9.166 292 HG3 ARG 39 HG3 ARG 39 15.001 11.105 -10.207 293 HD2 ARG 39 HD2 ARG 39 13.065 12.505 -8.364 294 HD3 ARG 39 HD3 ARG 39 14.792 12.283 -8.083 295 HE ARG 39 HE ARG 39 13.547 14.225 -9.803 296 HH11 ARG 39 HH11 ARG 39 16.454 12.438 -9.118 297 HH12 ARG 39 HH12 ARG 39 17.498 13.588 -9.886 298 HH21 ARG 39 HH21 ARG 39 14.910 15.747 -10.817 299 HH22 ARG 39 HH22 ARG 39 16.619 15.470 -10.851 300 H THR 40 H THR 40 11.945 8.488 -13.164 301 HA THR 40 HA THR 40 9.582 9.783 -13.936 302 HB THR 40 HB THR 40 10.787 11.106 -15.491 303 HG1 THR 40 HG1 THR 40 9.918 10.350 -17.454 304 HG21 THR 40 HG21 THR 40 12.357 8.627 -15.889 305 HG22 THR 40 HG22 THR 40 12.884 10.309 -15.856 306 HG23 THR 40 HG23 THR 40 12.125 9.651 -17.305 307 H LEU 41 H LEU 41 8.234 8.455 -15.349 308 HA LEU 41 HA LEU 41 9.038 5.627 -15.233 309 HB2 LEU 41 HB2 LEU 41 6.223 6.624 -15.526 310 HB3 LEU 41 HB3 LEU 41 6.776 5.035 -15.002 311 HG LEU 41 HG LEU 41 7.046 7.586 -13.413 312 HD11 LEU 41 HD11 LEU 41 4.973 5.464 -13.520 313 HD12 LEU 41 HD12 LEU 41 4.812 7.192 -13.210 314 HD13 LEU 41 HD13 LEU 41 5.409 6.122 -11.943 315 HD21 LEU 41 HD21 LEU 41 8.403 5.110 -13.224 316 HD22 LEU 41 HD22 LEU 41 7.272 5.203 -11.874 317 HD23 LEU 41 HD23 LEU 41 8.464 6.481 -12.116 318 H ASN 42 H ASN 42 7.405 4.402 -16.919 319 HA ASN 42 HA ASN 42 7.746 5.744 -19.516 320 HB2 ASN 42 HB2 ASN 42 8.563 2.973 -18.695 321 HB3 ASN 42 HB3 ASN 42 8.154 3.316 -20.373 322 HD21 ASN 42 HD21 ASN 42 10.298 4.166 -17.731 323 HD22 ASN 42 HD22 ASN 42 11.579 4.772 -18.718 324 H GLU 43 H GLU 43 5.965 5.805 -20.725 325 HA GLU 43 HA GLU 43 3.479 4.934 -19.814 326 HB2 GLU 43 HB2 GLU 43 3.657 6.716 -21.437 327 HB3 GLU 43 HB3 GLU 43 4.386 5.628 -22.610 328 HG2 GLU 43 HG2 GLU 43 2.254 4.314 -22.577 329 HG3 GLU 43 HG3 GLU 43 1.555 5.605 -21.602 330 H GLY 44 H GLY 44 2.635 2.969 -19.679 331 HA2 GLY 44 HA2 GLY 44 1.920 0.897 -20.529 332 HA3 GLY 44 HA3 GLY 44 3.116 1.035 -21.810 333 H GLU 45 H GLU 45 4.508 1.784 -18.862 334 HA GLU 45 HA GLU 45 5.654 -0.919 -18.682 335 HB2 GLU 45 HB2 GLU 45 7.229 0.936 -19.178 336 HB3 GLU 45 HB3 GLU 45 6.789 1.686 -17.650 337 HG2 GLU 45 HG2 GLU 45 7.951 0.175 -16.408 338 HG3 GLU 45 HG3 GLU 45 7.754 -1.117 -17.590 339 H HIS 46 H HIS 46 6.237 -1.690 -16.515 340 HA HIS 46 HA HIS 46 4.076 -1.151 -14.647 341 HB2 HIS 46 HB2 HIS 46 6.288 -3.153 -14.242 342 HB3 HIS 46 HB3 HIS 46 4.655 -3.176 -13.583 343 HD1 HIS 46 HD1 HIS 46 2.877 -4.341 -14.936 344 HD2 HIS 46 HD2 HIS 46 6.438 -3.869 -17.023 345 HE1 HIS 46 HE1 HIS 46 2.610 -5.697 -17.037 346 H VAL 47 H VAL 47 4.308 -0.334 -12.603 347 HA VAL 47 HA VAL 47 6.908 0.198 -11.478 348 HB VAL 47 HB VAL 47 6.339 2.687 -11.213 349 HG11 VAL 47 HG11 VAL 47 7.840 3.128 -12.839 350 HG12 VAL 47 HG12 VAL 47 7.960 1.369 -12.915 351 HG13 VAL 47 HG13 VAL 47 6.938 2.235 -14.063 352 HG21 VAL 47 HG21 VAL 47 4.730 3.670 -12.471 353 HG22 VAL 47 HG22 VAL 47 4.916 2.528 -13.802 354 HG23 VAL 47 HG23 VAL 47 4.003 2.067 -12.366 355 H GLU 48 H GLU 48 6.835 0.455 -9.289 356 HA GLU 48 HA GLU 48 4.200 0.150 -8.053 357 HB2 GLU 48 HB2 GLU 48 5.643 -1.535 -7.293 358 HB3 GLU 48 HB3 GLU 48 7.004 -0.432 -7.147 359 HG2 GLU 48 HG2 GLU 48 5.966 0.632 -5.229 360 HG3 GLU 48 HG3 GLU 48 4.560 -0.419 -5.390 361 H PHE 49 H PHE 49 3.249 1.762 -7.001 362 HA PHE 49 HA PHE 49 4.901 4.057 -6.172 363 HB2 PHE 49 HB2 PHE 49 2.847 5.450 -6.547 364 HB3 PHE 49 HB3 PHE 49 3.525 4.751 -8.014 365 HD1 PHE 49 HD1 PHE 49 2.429 2.763 -9.042 366 HD2 PHE 49 HD2 PHE 49 0.653 4.952 -5.852 367 HE1 PHE 49 HE1 PHE 49 0.244 1.768 -9.580 368 HE2 PHE 49 HE2 PHE 49 -1.534 3.960 -6.385 369 HZ PHE 49 HZ PHE 49 -1.741 2.365 -8.250 370 H GLU 50 H GLU 50 4.428 5.049 -4.209 371 HA GLU 50 HA GLU 50 2.765 3.430 -2.402 372 HB2 GLU 50 HB2 GLU 50 5.196 5.138 -1.943 373 HB3 GLU 50 HB3 GLU 50 4.130 4.702 -0.615 374 HG2 GLU 50 HG2 GLU 50 5.163 2.547 -2.383 375 HG3 GLU 50 HG3 GLU 50 6.245 3.267 -1.192 376 H VAL 51 H VAL 51 0.772 4.335 -2.515 377 HA VAL 51 HA VAL 51 0.226 7.081 -2.788 378 HB VAL 51 HB VAL 51 -2.065 6.547 -2.158 379 HG11 VAL 51 HG11 VAL 51 -0.669 5.490 -4.304 380 HG12 VAL 51 HG12 VAL 51 -1.609 4.129 -3.689 381 HG13 VAL 51 HG13 VAL 51 -2.420 5.625 -4.154 382 HG21 VAL 51 HG21 VAL 51 -2.577 4.128 -1.574 383 HG22 VAL 51 HG22 VAL 51 -0.857 3.957 -1.221 384 HG23 VAL 51 HG23 VAL 51 -1.835 5.105 -0.307 385 H GLU 52 H GLU 52 0.365 8.695 -1.381 386 HA GLU 52 HA GLU 52 0.472 8.043 1.490 387 HB2 GLU 52 HB2 GLU 52 2.146 9.719 -0.198 388 HB3 GLU 52 HB3 GLU 52 1.521 10.601 1.188 389 HG2 GLU 52 HG2 GLU 52 3.777 9.353 1.372 390 HG3 GLU 52 HG3 GLU 52 2.627 9.279 2.706 391 HA PRO 53 HA PRO 53 -3.049 10.535 2.284 392 HB2 PRO 53 HB2 PRO 53 -2.408 11.675 4.663 393 HB3 PRO 53 HB3 PRO 53 -2.823 9.965 4.498 394 HG2 PRO 53 HG2 PRO 53 -0.126 11.250 4.689 395 HG3 PRO 53 HG3 PRO 53 -0.724 9.780 5.481 396 HD2 PRO 53 HD2 PRO 53 0.842 9.711 3.273 397 HD3 PRO 53 HD3 PRO 53 -0.398 8.485 3.603 398 H GLY 54 H GLY 54 -0.940 12.697 4.018 399 HA2 GLY 54 HA2 GLY 54 -1.867 14.936 2.468 400 HA3 GLY 54 HA3 GLY 54 -0.754 14.995 3.827 401 H ARG 55 H ARG 55 -0.719 13.551 0.563 402 HA ARG 55 HA ARG 55 1.797 14.986 0.059 403 HB2 ARG 55 HB2 ARG 55 1.225 12.057 -0.291 404 HB3 ARG 55 HB3 ARG 55 2.442 12.858 -1.275 405 HG2 ARG 55 HG2 ARG 55 2.439 12.845 1.734 406 HG3 ARG 55 HG3 ARG 55 3.347 11.713 0.729 407 HD2 ARG 55 HD2 ARG 55 4.548 13.595 -0.286 408 HD3 ARG 55 HD3 ARG 55 3.649 14.714 0.736 409 HE ARG 55 HE ARG 55 4.980 12.761 2.302 410 HH11 ARG 55 HH11 ARG 55 5.531 15.656 0.449 411 HH12 ARG 55 HH12 ARG 55 6.929 16.128 1.357 412 HH21 ARG 55 HH21 ARG 55 6.819 13.371 3.506 413 HH22 ARG 55 HH22 ARG 55 7.661 14.827 3.095 414 H GLY 56 H GLY 56 -0.971 13.260 -1.318 415 HA2 GLY 56 HA2 GLY 56 -0.475 14.486 -3.927 416 HA3 GLY 56 HA3 GLY 56 -1.662 13.239 -3.576 417 H GLY 57 H GLY 57 -1.657 16.086 -4.805 418 HA2 GLY 57 HA2 GLY 57 -3.084 17.887 -3.302 419 HA3 GLY 57 HA3 GLY 57 -3.282 17.699 -5.038 420 H LYS 58 H LYS 58 -4.290 14.988 -4.881 421 HA LYS 58 HA LYS 58 -7.026 15.636 -4.079 422 HB2 LYS 58 HB2 LYS 58 -5.779 13.784 -6.033 423 HB3 LYS 58 HB3 LYS 58 -7.276 13.244 -5.284 424 HG2 LYS 58 HG2 LYS 58 -8.192 14.328 -7.030 425 HG3 LYS 58 HG3 LYS 58 -8.003 15.727 -5.971 426 HD2 LYS 58 HD2 LYS 58 -7.053 16.512 -7.915 427 HD3 LYS 58 HD3 LYS 58 -5.636 15.867 -7.084 428 HE2 LYS 58 HE2 LYS 58 -5.456 14.070 -8.497 429 HE3 LYS 58 HE3 LYS 58 -7.177 14.062 -8.880 430 HZ1 LYS 58 HZ1 LYS 58 -6.169 14.831 -10.807 431 HZ2 LYS 58 HZ2 LYS 58 -5.056 15.797 -9.977 432 HZ3 LYS 58 HZ3 LYS 58 -6.682 16.257 -10.055 433 H GLY 59 H GLY 59 -4.344 13.683 -3.149 434 HA2 GLY 59 HA2 GLY 59 -4.938 13.045 -0.653 435 HA3 GLY 59 HA3 GLY 59 -5.994 11.924 -1.500 436 HA PRO 60 HA PRO 60 -2.680 9.043 -1.555 437 HB2 PRO 60 HB2 PRO 60 -3.483 7.481 -3.625 438 HB3 PRO 60 HB3 PRO 60 -4.264 7.451 -2.040 439 HG2 PRO 60 HG2 PRO 60 -5.107 8.864 -4.541 440 HG3 PRO 60 HG3 PRO 60 -6.094 7.952 -3.385 441 HD2 PRO 60 HD2 PRO 60 -5.974 10.657 -3.382 442 HD3 PRO 60 HD3 PRO 60 -6.202 9.709 -1.898 443 H GLN 61 H GLN 61 -0.721 9.689 -2.209 444 HA GLN 61 HA GLN 61 -0.324 10.229 -5.079 445 HB2 GLN 61 HB2 GLN 61 0.143 12.296 -4.200 446 HB3 GLN 61 HB3 GLN 61 0.670 11.641 -2.655 447 HG2 GLN 61 HG2 GLN 61 2.776 10.976 -3.593 448 HG3 GLN 61 HG3 GLN 61 2.249 11.445 -5.208 449 HE21 GLN 61 HE21 GLN 61 4.276 12.339 -2.950 450 HE22 GLN 61 HE22 GLN 61 4.212 14.060 -3.085 451 H ALA 62 H ALA 62 1.794 9.687 -5.932 452 HA ALA 62 HA ALA 62 2.689 7.132 -4.961 453 HB1 ALA 62 HB1 ALA 62 2.615 7.282 -7.292 454 HB2 ALA 62 HB2 ALA 62 3.434 8.845 -7.309 455 HB3 ALA 62 HB3 ALA 62 4.334 7.382 -6.906 456 H LYS 63 H LYS 63 3.219 8.571 -2.875 457 HA LYS 63 HA LYS 63 5.404 10.164 -2.596 458 HB2 LYS 63 HB2 LYS 63 4.044 9.638 -0.692 459 HB3 LYS 63 HB3 LYS 63 4.466 7.934 -0.791 460 HG2 LYS 63 HG2 LYS 63 5.891 8.492 0.857 461 HG3 LYS 63 HG3 LYS 63 6.916 8.976 -0.496 462 HD2 LYS 63 HD2 LYS 63 5.065 10.798 1.043 463 HD3 LYS 63 HD3 LYS 63 6.816 10.704 1.249 464 HE2 LYS 63 HE2 LYS 63 5.320 11.564 -1.224 465 HE3 LYS 63 HE3 LYS 63 6.274 12.589 -0.153 466 HZ1 LYS 63 HZ1 LYS 63 7.989 12.168 -1.470 467 HZ2 LYS 63 HZ2 LYS 63 7.132 11.001 -2.344 468 HZ3 LYS 63 HZ3 LYS 63 7.963 10.563 -0.937 469 H LYS 64 H LYS 64 5.388 6.667 -3.018 470 HA LYS 64 HA LYS 64 8.289 6.785 -3.487 471 HB2 LYS 64 HB2 LYS 64 7.072 5.485 -1.336 472 HB3 LYS 64 HB3 LYS 64 7.428 4.201 -2.485 473 HG2 LYS 64 HG2 LYS 64 9.677 4.435 -2.265 474 HG3 LYS 64 HG3 LYS 64 9.576 6.163 -1.920 475 HD2 LYS 64 HD2 LYS 64 8.588 5.560 0.308 476 HD3 LYS 64 HD3 LYS 64 8.970 3.875 -0.052 477 HE2 LYS 64 HE2 LYS 64 11.364 4.802 -0.492 478 HE3 LYS 64 HE3 LYS 64 10.813 6.172 0.471 479 HZ1 LYS 64 HZ1 LYS 64 11.295 4.989 2.262 480 HZ2 LYS 64 HZ2 LYS 64 11.656 3.618 1.340 481 HZ3 LYS 64 HZ3 LYS 64 10.069 3.896 1.855 482 H VAL 65 H VAL 65 8.386 6.558 -5.643 483 HA VAL 65 HA VAL 65 6.788 4.427 -6.896 484 HB VAL 65 HB VAL 65 7.469 7.117 -7.730 485 HG11 VAL 65 HG11 VAL 65 9.220 6.110 -9.029 486 HG12 VAL 65 HG12 VAL 65 8.120 4.867 -9.629 487 HG13 VAL 65 HG13 VAL 65 7.898 6.550 -10.111 488 HG21 VAL 65 HG21 VAL 65 5.232 5.779 -7.637 489 HG22 VAL 65 HG22 VAL 65 5.498 6.957 -8.922 490 HG23 VAL 65 HG23 VAL 65 5.710 5.237 -9.246 491 H ARG 66 H ARG 66 7.751 2.855 -8.122 492 HA ARG 66 HA ARG 66 10.683 2.907 -8.330 493 HB2 ARG 66 HB2 ARG 66 8.998 0.565 -7.426 494 HB3 ARG 66 HB3 ARG 66 10.717 0.483 -7.788 495 HG2 ARG 66 HG2 ARG 66 10.745 2.472 -5.998 496 HG3 ARG 66 HG3 ARG 66 9.322 1.591 -5.438 497 HD2 ARG 66 HD2 ARG 66 11.052 0.596 -4.253 498 HD3 ARG 66 HD3 ARG 66 10.826 -0.497 -5.618 499 HE ARG 66 HE ARG 66 12.796 1.504 -6.142 500 HH11 ARG 66 HH11 ARG 66 12.238 -1.559 -4.584 501 HH12 ARG 66 HH12 ARG 66 13.893 -2.062 -4.689 502 HH21 ARG 66 HH21 ARG 66 14.977 0.854 -6.286 503 HH22 ARG 66 HH22 ARG 66 15.450 -0.688 -5.657 504 H ARG 67 H ARG 67 11.548 1.982 -10.160 505 HA ARG 67 HA ARG 67 9.758 1.711 -12.394 506 HB2 ARG 67 HB2 ARG 67 12.106 2.759 -12.395 507 HB3 ARG 67 HB3 ARG 67 12.706 1.107 -12.431 508 HG2 ARG 67 HG2 ARG 67 10.671 1.863 -14.447 509 HG3 ARG 67 HG3 ARG 67 12.298 2.520 -14.633 510 HD2 ARG 67 HD2 ARG 67 11.986 -0.387 -14.075 511 HD3 ARG 67 HD3 ARG 67 11.620 0.204 -15.695 512 HE ARG 67 HE ARG 67 14.153 1.113 -14.703 513 HH11 ARG 67 HH11 ARG 67 12.488 -1.498 -16.293 514 HH12 ARG 67 HH12 ARG 67 13.911 -2.103 -17.076 515 HH21 ARG 67 HH21 ARG 67 16.034 0.327 -15.727 516 HH22 ARG 67 HH22 ARG 67 15.927 -1.065 -16.752 517 H ILE 68 H ILE 68 9.112 -0.109 -13.409 518 HA ILE 68 HA ILE 68 10.324 -2.666 -12.657 519 HB ILE 68 HB ILE 68 7.331 -2.354 -12.743 520 HG12 ILE 68 HG12 ILE 68 8.397 -0.976 -10.908 521 HG13 ILE 68 HG13 ILE 68 7.267 -2.210 -10.361 522 HG21 ILE 68 HG21 ILE 68 7.823 -4.591 -13.045 523 HG22 ILE 68 HG22 ILE 68 9.245 -4.526 -12.005 524 HG23 ILE 68 HG23 ILE 68 7.631 -4.491 -11.295 525 HD11 ILE 68 HD11 ILE 68 8.877 -3.418 -9.334 526 HD12 ILE 68 HD12 ILE 68 10.118 -2.971 -10.505 527 HD13 ILE 68 HD13 ILE 68 9.645 -1.833 -9.244 Start of MODEL 2 1 H1 MET 1 H MET 1 0.316 0.551 -0.254 2 HA MET 1 HA MET 1 2.708 0.774 -1.960 3 HB2 MET 1 HB2 MET 1 1.948 -1.341 0.033 4 HB3 MET 1 HB3 MET 1 3.011 -1.721 -1.315 5 HG2 MET 1 HG2 MET 1 4.192 0.512 -0.350 6 HG3 MET 1 HG3 MET 1 3.526 -0.183 1.126 7 HE1 MET 1 HE1 MET 1 4.024 -1.941 2.208 8 HE2 MET 1 HE2 MET 1 4.837 -3.403 1.649 9 HE3 MET 1 HE3 MET 1 5.764 -2.123 2.433 10 H LYS 2 H LYS 2 1.737 0.874 -3.929 11 HA LYS 2 HA LYS 2 0.127 -1.464 -4.707 12 HB2 LYS 2 HB2 LYS 2 -0.346 1.420 -5.475 13 HB3 LYS 2 HB3 LYS 2 -1.151 0.054 -6.234 14 HG2 LYS 2 HG2 LYS 2 -1.350 0.860 -3.340 15 HG3 LYS 2 HG3 LYS 2 -2.589 1.068 -4.580 16 HD2 LYS 2 HD2 LYS 2 -2.375 -1.502 -4.866 17 HD3 LYS 2 HD3 LYS 2 -1.620 -1.446 -3.272 18 HE2 LYS 2 HE2 LYS 2 -3.941 -1.878 -2.950 19 HE3 LYS 2 HE3 LYS 2 -3.640 -0.213 -2.456 20 HZ1 LYS 2 HZ1 LYS 2 -4.672 -0.966 -5.133 21 HZ2 LYS 2 HZ2 LYS 2 -4.575 0.587 -4.471 22 HZ3 LYS 2 HZ3 LYS 2 -5.667 -0.537 -3.834 23 H LYS 3 H LYS 3 0.313 -2.113 -6.901 24 HA LYS 3 HA LYS 3 2.559 -0.928 -8.381 25 HB2 LYS 3 HB2 LYS 3 2.106 -3.904 -8.238 26 HB3 LYS 3 HB3 LYS 3 3.506 -3.050 -8.873 27 HG2 LYS 3 HG2 LYS 3 3.682 -2.171 -6.403 28 HG3 LYS 3 HG3 LYS 3 2.750 -3.629 -6.057 29 HD2 LYS 3 HD2 LYS 3 5.265 -3.677 -7.706 30 HD3 LYS 3 HD3 LYS 3 5.284 -3.832 -5.948 31 HE2 LYS 3 HE2 LYS 3 3.604 -5.726 -6.272 32 HE3 LYS 3 HE3 LYS 3 4.046 -5.669 -7.978 33 HZ1 LYS 3 HZ1 LYS 3 6.145 -6.436 -7.555 34 HZ2 LYS 3 HZ2 LYS 3 5.282 -7.256 -6.354 35 HZ3 LYS 3 HZ3 LYS 3 6.170 -5.871 -5.961 36 H GLY 4 H GLY 4 2.230 -0.680 -10.524 37 HA2 GLY 4 HA2 GLY 4 0.472 -2.283 -12.071 38 HA3 GLY 4 HA3 GLY 4 -0.321 -0.780 -11.621 39 H THR 5 H THR 5 -0.037 -1.215 -14.233 40 HA THR 5 HA THR 5 2.426 -0.108 -15.245 41 HB THR 5 HB THR 5 1.111 -0.113 -17.453 42 HG1 THR 5 HG1 THR 5 -0.949 -0.325 -16.134 43 HG21 THR 5 HG21 THR 5 2.720 -1.821 -17.051 44 HG22 THR 5 HG22 THR 5 1.252 -2.628 -17.603 45 HG23 THR 5 HG23 THR 5 1.668 -2.629 -15.890 46 H VAL 6 H VAL 6 2.722 1.895 -16.205 47 HA VAL 6 HA VAL 6 0.977 3.990 -15.227 48 HB VAL 6 HB VAL 6 3.636 3.934 -15.465 49 HG11 VAL 6 HG11 VAL 6 3.490 3.767 -17.944 50 HG12 VAL 6 HG12 VAL 6 2.770 5.378 -17.966 51 HG13 VAL 6 HG13 VAL 6 4.418 5.155 -17.377 52 HG21 VAL 6 HG21 VAL 6 3.232 6.599 -15.822 53 HG22 VAL 6 HG22 VAL 6 1.625 6.068 -15.327 54 HG23 VAL 6 HG23 VAL 6 3.017 5.749 -14.292 55 H LYS 7 H LYS 7 -0.187 5.431 -16.468 56 HA LYS 7 HA LYS 7 -0.816 4.507 -19.172 57 HB2 LYS 7 HB2 LYS 7 -2.591 4.939 -17.374 58 HB3 LYS 7 HB3 LYS 7 -2.275 6.649 -17.635 59 HG2 LYS 7 HG2 LYS 7 -4.048 6.327 -19.036 60 HG3 LYS 7 HG3 LYS 7 -2.706 6.029 -20.144 61 HD2 LYS 7 HD2 LYS 7 -3.777 3.716 -18.619 62 HD3 LYS 7 HD3 LYS 7 -4.766 4.362 -19.931 63 HE2 LYS 7 HE2 LYS 7 -2.489 4.251 -21.249 64 HE3 LYS 7 HE3 LYS 7 -2.094 3.044 -20.026 65 HZ1 LYS 7 HZ1 LYS 7 -4.134 1.854 -20.644 66 HZ2 LYS 7 HZ2 LYS 7 -3.053 1.982 -21.939 67 HZ3 LYS 7 HZ3 LYS 7 -4.417 2.981 -21.875 68 H TRP 8 H TRP 8 0.501 7.236 -17.438 69 HA TRP 8 HA TRP 8 1.816 8.269 -19.698 70 HB2 TRP 8 HB2 TRP 8 0.583 10.212 -20.242 71 HB3 TRP 8 HB3 TRP 8 -0.607 8.915 -20.180 72 HD1 TRP 8 HD1 TRP 8 0.621 11.909 -18.075 73 HE1 TRP 8 HE1 TRP 8 -1.306 12.656 -16.542 74 HE3 TRP 8 HE3 TRP 8 -2.744 8.211 -19.143 75 HZ2 TRP 8 HZ2 TRP 8 -3.909 11.791 -15.873 76 HZ3 TRP 8 HZ3 TRP 8 -4.929 8.243 -18.013 77 HH2 TRP 8 HH2 TRP 8 -5.498 9.997 -16.412 78 H PHE 9 H PHE 9 3.376 9.715 -19.114 79 HA PHE 9 HA PHE 9 3.249 10.845 -16.405 80 HB2 PHE 9 HB2 PHE 9 4.641 8.888 -16.198 81 HB3 PHE 9 HB3 PHE 9 5.575 9.345 -17.619 82 HD1 PHE 9 HD1 PHE 9 4.942 10.045 -14.081 83 HD2 PHE 9 HD2 PHE 9 7.282 11.031 -17.498 84 HE1 PHE 9 HE1 PHE 9 6.532 11.251 -12.641 85 HE2 PHE 9 HE2 PHE 9 8.875 12.237 -16.063 86 HZ PHE 9 HZ PHE 9 8.502 12.348 -13.631 87 H ASN 10 H ASN 10 2.964 12.939 -16.993 88 HA ASN 10 HA ASN 10 4.184 14.196 -19.197 89 HB2 ASN 10 HB2 ASN 10 2.140 14.960 -17.841 90 HB3 ASN 10 HB3 ASN 10 3.300 15.644 -16.706 91 HD21 ASN 10 HD21 ASN 10 1.285 16.866 -18.522 92 HD22 ASN 10 HD22 ASN 10 2.166 18.033 -19.442 93 H ALA 11 H ALA 11 6.359 14.103 -19.351 94 HA ALA 11 HA ALA 11 8.074 14.515 -17.075 95 HB1 ALA 11 HB1 ALA 11 9.866 14.487 -18.933 96 HB2 ALA 11 HB2 ALA 11 8.970 13.005 -18.593 97 HB3 ALA 11 HB3 ALA 11 8.538 13.996 -19.986 98 H GLU 12 H GLU 12 6.661 16.476 -19.532 99 HA GLU 12 HA GLU 12 8.554 18.597 -19.493 100 HB2 GLU 12 HB2 GLU 12 6.669 18.048 -21.216 101 HB3 GLU 12 HB3 GLU 12 5.659 19.012 -20.149 102 HG2 GLU 12 HG2 GLU 12 8.251 20.045 -21.242 103 HG3 GLU 12 HG3 GLU 12 6.734 20.186 -22.128 104 H LYS 13 H LYS 13 5.492 18.022 -17.807 105 HA LYS 13 HA LYS 13 5.849 20.463 -16.248 106 HB2 LYS 13 HB2 LYS 13 3.596 18.457 -16.394 107 HB3 LYS 13 HB3 LYS 13 3.607 19.827 -15.292 108 HG2 LYS 13 HG2 LYS 13 4.137 20.599 -18.043 109 HG3 LYS 13 HG3 LYS 13 2.577 19.799 -17.839 110 HD2 LYS 13 HD2 LYS 13 1.815 21.411 -16.330 111 HD3 LYS 13 HD3 LYS 13 3.445 21.999 -15.993 112 HE2 LYS 13 HE2 LYS 13 3.594 22.992 -18.178 113 HE3 LYS 13 HE3 LYS 13 2.056 22.273 -18.655 114 HZ1 LYS 13 HZ1 LYS 13 0.877 23.695 -17.256 115 HZ2 LYS 13 HZ2 LYS 13 2.047 24.699 -17.952 116 HZ3 LYS 13 HZ3 LYS 13 2.248 24.138 -16.369 117 H GLY 14 H GLY 14 5.900 16.969 -15.886 118 HA2 GLY 14 HA2 GLY 14 7.243 15.879 -14.261 119 HA3 GLY 14 HA3 GLY 14 7.170 17.327 -13.268 120 H TYR 15 H TYR 15 4.573 15.429 -14.778 121 HA TYR 15 HA TYR 15 3.717 14.366 -12.239 122 HB2 TYR 15 HB2 TYR 15 1.651 15.493 -12.039 123 HB3 TYR 15 HB3 TYR 15 2.831 16.760 -12.359 124 HD1 TYR 15 HD1 TYR 15 0.012 14.856 -13.737 125 HD2 TYR 15 HD2 TYR 15 2.796 17.997 -14.434 126 HE1 TYR 15 HE1 TYR 15 -1.335 15.618 -15.648 127 HE2 TYR 15 HE2 TYR 15 1.455 18.769 -16.346 128 HH TYR 15 HH TYR 15 -1.489 18.226 -16.866 129 H GLY 16 H GLY 16 2.345 12.624 -12.451 130 HA2 GLY 16 HA2 GLY 16 1.157 12.047 -15.048 131 HA3 GLY 16 HA3 GLY 16 2.407 10.937 -14.506 132 H PHE 17 H PHE 17 0.369 9.542 -14.846 133 HA PHE 17 HA PHE 17 -0.804 9.127 -12.202 134 HB2 PHE 17 HB2 PHE 17 -2.383 9.441 -14.757 135 HB3 PHE 17 HB3 PHE 17 -3.041 8.690 -13.307 136 HD1 PHE 17 HD2 PHE 17 -1.693 11.833 -14.694 137 HD2 PHE 17 HD1 PHE 17 -3.825 9.990 -11.505 138 HE1 PHE 17 HE2 PHE 17 -2.329 14.052 -13.842 139 HE2 PHE 17 HE1 PHE 17 -4.465 12.206 -10.648 140 HZ PHE 17 HZ PHE 17 -3.718 14.241 -11.817 141 H ILE 18 H ILE 18 -0.711 7.057 -11.625 142 HA ILE 18 HA ILE 18 -0.029 5.075 -13.671 143 HB ILE 18 HB ILE 18 0.101 4.829 -10.663 144 HG12 ILE 18 HG12 ILE 18 2.493 4.981 -12.459 145 HG13 ILE 18 HG13 ILE 18 1.680 6.467 -11.979 146 HG21 ILE 18 HG21 ILE 18 0.831 2.995 -12.913 147 HG22 ILE 18 HG22 ILE 18 1.655 2.889 -11.359 148 HG23 ILE 18 HG23 ILE 18 -0.090 2.652 -11.449 149 HD11 ILE 18 HD11 ILE 18 3.371 6.219 -10.414 150 HD12 ILE 18 HD12 ILE 18 1.946 5.593 -9.584 151 HD13 ILE 18 HD13 ILE 18 3.123 4.478 -10.278 152 H GLN 19 H GLN 19 -1.093 3.058 -13.785 153 HA GLN 19 HA GLN 19 -3.733 2.965 -12.485 154 HB2 GLN 19 HB2 GLN 19 -3.325 1.850 -15.236 155 HB3 GLN 19 HB3 GLN 19 -4.814 2.365 -14.456 156 HG2 GLN 19 HG2 GLN 19 -2.642 4.098 -15.595 157 HG3 GLN 19 HG3 GLN 19 -4.307 3.940 -16.152 158 HE21 GLN 19 HE21 GLN 19 -2.534 6.177 -15.028 159 HE22 GLN 19 HE22 GLN 19 -3.549 6.938 -13.855 160 H GLN 20 H GLN 20 -4.228 1.099 -11.507 161 HA GLN 20 HA GLN 20 -2.294 -1.085 -11.690 162 HB2 GLN 20 HB2 GLN 20 -4.593 -0.911 -9.755 163 HB3 GLN 20 HB3 GLN 20 -3.109 -1.842 -9.603 164 HG2 GLN 20 HG2 GLN 20 -1.825 0.169 -9.281 165 HG3 GLN 20 HG3 GLN 20 -3.253 1.163 -9.568 166 HE21 GLN 20 HE21 GLN 20 -3.767 2.084 -7.715 167 HE22 GLN 20 HE22 GLN 20 -3.902 1.287 -6.189 168 H GLU 21 H GLU 21 -3.881 -3.202 -10.853 169 HA GLU 21 HA GLU 21 -4.797 -4.299 -13.194 170 HB2 GLU 21 HB2 GLU 21 -5.865 -4.882 -10.426 171 HB3 GLU 21 HB3 GLU 21 -5.998 -5.937 -11.826 172 HG2 GLU 21 HG2 GLU 21 -3.482 -5.980 -11.890 173 HG3 GLU 21 HG3 GLU 21 -3.513 -5.175 -10.323 174 H GLU 22 H GLU 22 -6.485 -2.174 -10.994 175 HA GLU 22 HA GLU 22 -8.917 -2.401 -12.631 176 HB2 GLU 22 HB2 GLU 22 -8.671 -1.069 -9.935 177 HB3 GLU 22 HB3 GLU 22 -10.147 -1.515 -10.781 178 HG2 GLU 22 HG2 GLU 22 -9.333 -3.919 -10.590 179 HG3 GLU 22 HG3 GLU 22 -8.157 -3.304 -9.429 180 H GLY 23 H GLY 23 -6.400 -0.241 -11.589 181 HA2 GLY 23 HA2 GLY 23 -5.776 1.811 -12.434 182 HA3 GLY 23 HA3 GLY 23 -7.045 1.643 -13.638 183 HA PRO 24 HA PRO 24 -9.149 3.574 -9.730 184 HB2 PRO 24 HB2 PRO 24 -7.493 4.366 -7.730 185 HB3 PRO 24 HB3 PRO 24 -8.211 2.752 -7.801 186 HG2 PRO 24 HG2 PRO 24 -5.467 3.642 -8.601 187 HG3 PRO 24 HG3 PRO 24 -5.956 2.190 -7.709 188 HD2 PRO 24 HD2 PRO 24 -5.358 2.145 -10.349 189 HD3 PRO 24 HD3 PRO 24 -6.567 1.065 -9.626 190 H ASP 25 H ASP 25 -6.259 5.258 -8.805 191 HA ASP 25 HA ASP 25 -5.934 7.182 -10.717 192 HB2 ASP 25 HB2 ASP 25 -8.109 7.991 -10.705 193 HB3 ASP 25 HB3 ASP 25 -8.312 7.717 -8.977 194 H VAL 26 H VAL 26 -3.867 7.221 -9.942 195 HA VAL 26 HA VAL 26 -3.490 8.326 -7.234 196 HB VAL 26 HB VAL 26 -2.516 5.953 -8.096 197 HG11 VAL 26 HG11 VAL 26 -1.136 7.212 -9.798 198 HG12 VAL 26 HG12 VAL 26 -0.197 7.838 -8.441 199 HG13 VAL 26 HG13 VAL 26 -0.249 6.103 -8.753 200 HG21 VAL 26 HG21 VAL 26 -2.508 7.002 -5.800 201 HG22 VAL 26 HG22 VAL 26 -1.122 5.979 -6.178 202 HG23 VAL 26 HG23 VAL 26 -0.963 7.735 -6.232 203 H PHE 27 H PHE 27 -2.104 10.037 -6.943 204 HA PHE 27 HA PHE 27 -1.350 11.465 -9.388 205 HB2 PHE 27 HB2 PHE 27 -2.720 12.412 -7.304 206 HB3 PHE 27 HB3 PHE 27 -1.096 12.731 -6.704 207 HD1 PHE 27 HD1 PHE 27 0.392 13.551 -9.011 208 HD2 PHE 27 HD2 PHE 27 -3.655 14.390 -7.995 209 HE1 PHE 27 HE1 PHE 27 0.485 15.608 -10.356 210 HE2 PHE 27 HE2 PHE 27 -3.569 16.449 -9.340 211 HZ PHE 27 HZ PHE 27 -1.497 17.061 -10.522 212 H VAL 28 H VAL 28 0.671 11.260 -10.061 213 HA VAL 28 HA VAL 28 2.806 10.976 -8.046 214 HB VAL 28 HB VAL 28 3.971 9.453 -9.351 215 HG11 VAL 28 HG11 VAL 28 2.585 7.681 -9.316 216 HG12 VAL 28 HG12 VAL 28 1.432 8.834 -8.642 217 HG13 VAL 28 HG13 VAL 28 1.398 8.456 -10.364 218 HG21 VAL 28 HG21 VAL 28 4.043 10.590 -11.435 219 HG22 VAL 28 HG22 VAL 28 3.364 8.993 -11.751 220 HG23 VAL 28 HG23 VAL 28 2.305 10.401 -11.674 221 H HIS 29 H HIS 29 4.694 12.126 -8.352 222 HA HIS 29 HA HIS 29 4.689 14.059 -10.576 223 HB2 HIS 29 HB2 HIS 29 4.995 14.478 -7.663 224 HB3 HIS 29 HB3 HIS 29 6.111 15.376 -8.688 225 HD1 HIS 29 HD1 HIS 29 5.252 17.650 -9.070 226 HD2 HIS 29 HD2 HIS 29 2.181 14.855 -8.940 227 HE1 HIS 29 HE1 HIS 29 3.140 18.953 -9.475 228 H PHE 30 H PHE 30 6.818 14.856 -11.200 229 HA PHE 30 HA PHE 30 8.643 12.817 -11.695 230 HB2 PHE 30 HB2 PHE 30 10.054 14.466 -12.637 231 HB3 PHE 30 HB3 PHE 30 8.417 15.066 -12.882 232 HD1 PHE 30 HD2 PHE 30 7.522 16.670 -11.023 233 HD2 PHE 30 HD1 PHE 30 11.641 15.864 -11.733 234 HE1 PHE 30 HE2 PHE 30 8.124 18.772 -9.896 235 HE2 PHE 30 HE1 PHE 30 12.250 17.965 -10.606 236 HZ PHE 30 HZ PHE 30 10.490 19.423 -9.687 237 H THR 31 H THR 31 8.226 14.766 -8.900 238 HA THR 31 HA THR 31 10.877 14.092 -7.861 239 HB THR 31 HB THR 31 8.828 15.690 -6.354 240 HG1 THR 31 HG1 THR 31 9.172 17.396 -7.595 241 HG21 THR 31 HG21 THR 31 11.785 15.308 -6.304 242 HG22 THR 31 HG22 THR 31 10.635 15.379 -4.968 243 HG23 THR 31 HG23 THR 31 11.124 16.860 -5.791 244 H ALA 32 H ALA 32 8.566 12.181 -8.218 245 HA ALA 32 HA ALA 32 8.471 11.222 -5.432 246 HB1 ALA 32 HB1 ALA 32 6.307 11.733 -7.289 247 HB2 ALA 32 HB2 ALA 32 6.292 10.072 -6.694 248 HB3 ALA 32 HB3 ALA 32 6.257 11.417 -5.554 249 H ILE 33 H ILE 33 9.599 10.643 -8.501 250 HA ILE 33 HA ILE 33 9.380 7.744 -8.388 251 HB ILE 33 HB ILE 33 10.693 9.556 -10.414 252 HG12 ILE 33 HG12 ILE 33 8.722 8.288 -11.740 253 HG13 ILE 33 HG13 ILE 33 8.014 8.312 -10.129 254 HG21 ILE 33 HG21 ILE 33 10.311 7.068 -11.571 255 HG22 ILE 33 HG22 ILE 33 11.846 7.762 -11.053 256 HG23 ILE 33 HG23 ILE 33 10.945 6.707 -9.966 257 HD11 ILE 33 HD11 ILE 33 8.649 10.566 -11.958 258 HD12 ILE 33 HD12 ILE 33 7.203 10.261 -10.995 259 HD13 ILE 33 HD13 ILE 33 8.675 10.841 -10.216 260 H GLU 34 H GLU 34 10.942 6.391 -7.733 261 HA GLU 34 HA GLU 34 13.558 7.560 -7.044 262 HB2 GLU 34 HB2 GLU 34 12.372 5.119 -5.738 263 HB3 GLU 34 HB3 GLU 34 13.715 6.108 -5.180 264 HG2 GLU 34 HG2 GLU 34 11.653 7.908 -5.289 265 HG3 GLU 34 HG3 GLU 34 10.853 6.428 -4.764 266 H ALA 35 H ALA 35 14.434 7.076 -9.092 267 HA ALA 35 HA ALA 35 14.977 4.209 -9.500 268 HB1 ALA 35 HB1 ALA 35 15.143 4.866 -11.984 269 HB2 ALA 35 HB2 ALA 35 13.541 4.686 -11.267 270 HB3 ALA 35 HB3 ALA 35 14.221 6.294 -11.514 271 H ASP 36 H ASP 36 16.884 4.086 -11.239 272 HA ASP 36 HA ASP 36 19.111 5.449 -9.969 273 HB2 ASP 36 HB2 ASP 36 19.144 2.991 -10.521 274 HB3 ASP 36 HB3 ASP 36 19.199 3.439 -12.224 275 H GLY 37 H GLY 37 18.503 7.582 -10.772 276 HA2 GLY 37 HA2 GLY 37 19.820 9.046 -12.303 277 HA3 GLY 37 HA3 GLY 37 19.308 7.966 -13.590 278 H PHE 38 H PHE 38 17.713 8.718 -14.796 279 HA PHE 38 HA PHE 38 16.277 11.060 -14.164 280 HB2 PHE 38 HB2 PHE 38 15.756 8.934 -16.251 281 HB3 PHE 38 HB3 PHE 38 14.898 10.469 -16.169 282 HD1 PHE 38 HD2 PHE 38 16.111 12.583 -16.577 283 HD2 PHE 38 HD1 PHE 38 17.940 8.784 -17.156 284 HE1 PHE 38 HE2 PHE 38 17.874 13.641 -17.928 285 HE2 PHE 38 HE1 PHE 38 19.706 9.836 -18.507 286 HZ PHE 38 HZ PHE 38 19.676 12.268 -18.894 287 H ARG 39 H ARG 39 14.838 11.192 -12.573 288 HA ARG 39 HA ARG 39 13.348 8.934 -11.639 289 HB2 ARG 39 HB2 ARG 39 12.813 11.821 -10.955 290 HB3 ARG 39 HB3 ARG 39 12.458 10.395 -9.989 291 HG2 ARG 39 HG2 ARG 39 14.803 10.025 -9.584 292 HG3 ARG 39 HG3 ARG 39 15.230 11.352 -10.666 293 HD2 ARG 39 HD2 ARG 39 14.024 12.908 -9.172 294 HD3 ARG 39 HD3 ARG 39 13.708 11.567 -8.072 295 HE ARG 39 HE ARG 39 16.169 13.013 -8.377 296 HH11 ARG 39 HH11 ARG 39 14.732 9.995 -7.404 297 HH12 ARG 39 HH12 ARG 39 16.041 9.560 -6.356 298 HH21 ARG 39 HH21 ARG 39 17.898 12.451 -7.000 299 HH22 ARG 39 HH22 ARG 39 17.841 10.958 -6.126 300 H THR 40 H THR 40 12.342 8.417 -13.726 301 HA THR 40 HA THR 40 9.726 9.673 -13.915 302 HB THR 40 HB THR 40 9.819 10.022 -16.313 303 HG1 THR 40 HG1 THR 40 11.255 8.776 -17.273 304 HG21 THR 40 HG21 THR 40 11.222 11.949 -16.386 305 HG22 THR 40 HG22 THR 40 12.262 11.317 -15.109 306 HG23 THR 40 HG23 THR 40 10.613 11.819 -14.736 307 H LEU 41 H LEU 41 8.347 8.465 -15.576 308 HA LEU 41 HA LEU 41 8.990 5.594 -15.420 309 HB2 LEU 41 HB2 LEU 41 6.225 6.738 -15.669 310 HB3 LEU 41 HB3 LEU 41 6.695 5.105 -15.200 311 HG LEU 41 HG LEU 41 7.145 7.579 -13.532 312 HD11 LEU 41 HD11 LEU 41 4.977 5.505 -13.528 313 HD12 LEU 41 HD12 LEU 41 4.829 7.262 -13.528 314 HD13 LEU 41 HD13 LEU 41 5.387 6.425 -12.080 315 HD21 LEU 41 HD21 LEU 41 7.182 5.132 -12.077 316 HD22 LEU 41 HD22 LEU 41 8.469 6.322 -12.274 317 HD23 LEU 41 HD23 LEU 41 8.303 5.000 -13.431 318 H ASN 42 H ASN 42 7.513 4.367 -17.118 319 HA ASN 42 HA ASN 42 7.775 5.766 -19.698 320 HB2 ASN 42 HB2 ASN 42 8.435 2.885 -19.057 321 HB3 ASN 42 HB3 ASN 42 8.347 3.535 -20.691 322 HD21 ASN 42 HD21 ASN 42 10.065 3.662 -17.649 323 HD22 ASN 42 HD22 ASN 42 11.519 4.351 -18.279 324 H GLU 43 H GLU 43 5.985 5.831 -20.891 325 HA GLU 43 HA GLU 43 3.514 4.917 -19.977 326 HB2 GLU 43 HB2 GLU 43 3.677 6.736 -21.568 327 HB3 GLU 43 HB3 GLU 43 4.383 5.667 -22.772 328 HG2 GLU 43 HG2 GLU 43 2.244 4.351 -22.703 329 HG3 GLU 43 HG3 GLU 43 1.569 5.651 -21.722 330 H GLY 44 H GLY 44 2.721 2.930 -19.855 331 HA2 GLY 44 HA2 GLY 44 2.005 0.880 -20.781 332 HA3 GLY 44 HA3 GLY 44 3.227 1.044 -22.032 333 H GLU 45 H GLU 45 4.588 1.760 -19.075 334 HA GLU 45 HA GLU 45 5.713 -0.950 -18.892 335 HB2 GLU 45 HB2 GLU 45 7.308 0.887 -19.369 336 HB3 GLU 45 HB3 GLU 45 6.853 1.649 -17.851 337 HG2 GLU 45 HG2 GLU 45 7.964 0.110 -16.580 338 HG3 GLU 45 HG3 GLU 45 7.821 -1.160 -17.793 339 H HIS 46 H HIS 46 6.263 -1.741 -16.729 340 HA HIS 46 HA HIS 46 4.094 -1.188 -14.874 341 HB2 HIS 46 HB2 HIS 46 6.280 -3.215 -14.459 342 HB3 HIS 46 HB3 HIS 46 4.639 -3.225 -13.819 343 HD1 HIS 46 HD1 HIS 46 2.894 -4.424 -15.164 344 HD2 HIS 46 HD2 HIS 46 6.426 -3.856 -17.277 345 HE1 HIS 46 HE1 HIS 46 2.630 -5.750 -17.285 346 H VAL 47 H VAL 47 4.323 -0.399 -12.815 347 HA VAL 47 HA VAL 47 6.920 0.105 -11.673 348 HB VAL 47 HB VAL 47 6.349 2.601 -11.388 349 HG11 VAL 47 HG11 VAL 47 7.995 1.274 -13.076 350 HG12 VAL 47 HG12 VAL 47 7.017 2.191 -14.223 351 HG13 VAL 47 HG13 VAL 47 7.908 3.031 -12.954 352 HG21 VAL 47 HG21 VAL 47 4.837 3.620 -12.777 353 HG22 VAL 47 HG22 VAL 47 4.940 2.354 -14.001 354 HG23 VAL 47 HG23 VAL 47 4.030 2.073 -12.517 355 H GLU 48 H GLU 48 6.837 0.355 -9.482 356 HA GLU 48 HA GLU 48 4.186 0.080 -8.265 357 HB2 GLU 48 HB2 GLU 48 5.596 -1.658 -7.542 358 HB3 GLU 48 HB3 GLU 48 6.969 -0.579 -7.338 359 HG2 GLU 48 HG2 GLU 48 5.966 0.417 -5.396 360 HG3 GLU 48 HG3 GLU 48 4.487 -0.510 -5.639 361 H PHE 49 H PHE 49 3.280 1.683 -7.158 362 HA PHE 49 HA PHE 49 4.981 3.945 -6.337 363 HB2 PHE 49 HB2 PHE 49 2.916 5.351 -6.606 364 HB3 PHE 49 HB3 PHE 49 3.542 4.682 -8.109 365 HD1 PHE 49 HD1 PHE 49 2.396 2.758 -9.171 366 HD2 PHE 49 HD2 PHE 49 0.758 4.798 -5.814 367 HE1 PHE 49 HE1 PHE 49 0.192 1.777 -9.655 368 HE2 PHE 49 HE2 PHE 49 -1.448 3.819 -6.291 369 HZ PHE 49 HZ PHE 49 -1.733 2.306 -8.213 370 H GLU 50 H GLU 50 4.524 4.964 -4.362 371 HA GLU 50 HA GLU 50 3.002 3.283 -2.491 372 HB2 GLU 50 HB2 GLU 50 5.591 4.423 -2.349 373 HB3 GLU 50 HB3 GLU 50 4.599 5.255 -1.159 374 HG2 GLU 50 HG2 GLU 50 4.600 2.271 -1.314 375 HG3 GLU 50 HG3 GLU 50 5.887 3.131 -0.470 376 H VAL 51 H VAL 51 0.960 4.081 -2.556 377 HA VAL 51 HA VAL 51 0.153 6.703 -2.915 378 HB VAL 51 HB VAL 51 -1.968 6.086 -1.871 379 HG11 VAL 51 HG11 VAL 51 -2.584 4.319 -3.360 380 HG12 VAL 51 HG12 VAL 51 -1.381 5.321 -4.176 381 HG13 VAL 51 HG13 VAL 51 -0.914 3.768 -3.482 382 HG21 VAL 51 HG21 VAL 51 -2.176 3.720 -0.984 383 HG22 VAL 51 HG22 VAL 51 -0.414 3.696 -0.909 384 HG23 VAL 51 HG23 VAL 51 -1.322 4.868 0.047 385 H GLU 52 H GLU 52 0.301 8.488 -1.731 386 HA GLU 52 HA GLU 52 0.948 8.216 1.129 387 HB2 GLU 52 HB2 GLU 52 2.412 9.492 -0.772 388 HB3 GLU 52 HB3 GLU 52 1.417 10.816 -0.184 389 HG2 GLU 52 HG2 GLU 52 3.623 10.582 0.945 390 HG3 GLU 52 HG3 GLU 52 2.234 10.560 2.029 391 HA PRO 53 HA PRO 53 -2.935 10.074 2.082 392 HB2 PRO 53 HB2 PRO 53 -2.378 10.866 4.619 393 HB3 PRO 53 HB3 PRO 53 -2.667 9.178 4.181 394 HG2 PRO 53 HG2 PRO 53 -0.071 10.608 4.604 395 HG3 PRO 53 HG3 PRO 53 -0.560 8.992 5.146 396 HD2 PRO 53 HD2 PRO 53 1.007 9.387 2.973 397 HD3 PRO 53 HD3 PRO 53 -0.141 8.037 3.091 398 H GLY 54 H GLY 54 -1.031 12.086 4.181 399 HA2 GLY 54 HA2 GLY 54 -2.070 14.459 2.901 400 HA3 GLY 54 HA3 GLY 54 -1.093 14.400 4.361 401 H ARG 55 H ARG 55 -0.583 13.385 0.979 402 HA ARG 55 HA ARG 55 1.750 15.165 0.878 403 HB2 ARG 55 HB2 ARG 55 2.006 12.449 1.185 404 HB3 ARG 55 HB3 ARG 55 2.099 12.632 -0.562 405 HG2 ARG 55 HG2 ARG 55 3.850 13.967 1.490 406 HG3 ARG 55 HG3 ARG 55 4.311 12.688 0.365 407 HD2 ARG 55 HD2 ARG 55 5.039 14.386 -0.912 408 HD3 ARG 55 HD3 ARG 55 3.338 14.557 -1.341 409 HE ARG 55 HE ARG 55 4.017 16.041 1.001 410 HH11 ARG 55 HH11 ARG 55 4.126 16.073 -2.478 411 HH12 ARG 55 HH12 ARG 55 4.145 17.802 -2.592 412 HH21 ARG 55 HH21 ARG 55 4.042 18.317 0.865 413 HH22 ARG 55 HH22 ARG 55 4.098 19.077 -0.689 414 H GLY 56 H GLY 56 -0.582 13.188 -0.903 415 HA2 GLY 56 HA2 GLY 56 0.070 14.398 -3.437 416 HA3 GLY 56 HA3 GLY 56 -1.252 13.285 -3.119 417 H GLY 57 H GLY 57 -0.885 16.067 -4.449 418 HA2 GLY 57 HA2 GLY 57 -2.226 18.058 -3.121 419 HA3 GLY 57 HA3 GLY 57 -2.330 17.811 -4.857 420 H LYS 58 H LYS 58 -3.623 15.257 -4.741 421 HA LYS 58 HA LYS 58 -6.309 16.168 -3.994 422 HB2 LYS 58 HB2 LYS 58 -5.240 14.254 -6.021 423 HB3 LYS 58 HB3 LYS 58 -6.863 13.991 -5.397 424 HG2 LYS 58 HG2 LYS 58 -6.270 16.739 -6.263 425 HG3 LYS 58 HG3 LYS 58 -6.294 15.519 -7.539 426 HD2 LYS 58 HD2 LYS 58 -8.499 16.434 -7.335 427 HD3 LYS 58 HD3 LYS 58 -8.526 14.787 -6.701 428 HE2 LYS 58 HE2 LYS 58 -9.770 16.161 -5.200 429 HE3 LYS 58 HE3 LYS 58 -8.247 15.752 -4.412 430 HZ1 LYS 58 HZ1 LYS 58 -7.397 17.896 -4.833 431 HZ2 LYS 58 HZ2 LYS 58 -8.959 18.132 -4.229 432 HZ3 LYS 58 HZ3 LYS 58 -8.661 18.288 -5.887 433 H GLY 59 H GLY 59 -3.858 13.949 -3.105 434 HA2 GLY 59 HA2 GLY 59 -4.624 13.170 -0.702 435 HA3 GLY 59 HA3 GLY 59 -5.715 12.199 -1.680 436 HA PRO 60 HA PRO 60 -2.574 9.109 -1.650 437 HB2 PRO 60 HB2 PRO 60 -3.571 7.538 -3.627 438 HB3 PRO 60 HB3 PRO 60 -4.273 7.604 -2.006 439 HG2 PRO 60 HG2 PRO 60 -5.153 8.990 -4.509 440 HG3 PRO 60 HG3 PRO 60 -6.134 8.175 -3.277 441 HD2 PRO 60 HD2 PRO 60 -5.853 10.867 -3.370 442 HD3 PRO 60 HD3 PRO 60 -6.063 9.980 -1.846 443 H GLN 61 H GLN 61 -0.622 9.671 -2.412 444 HA GLN 61 HA GLN 61 -0.332 10.063 -5.318 445 HB2 GLN 61 HB2 GLN 61 1.522 11.569 -4.874 446 HB3 GLN 61 HB3 GLN 61 0.081 12.128 -4.035 447 HG2 GLN 61 HG2 GLN 61 0.986 11.834 -2.002 448 HG3 GLN 61 HG3 GLN 61 1.834 10.363 -2.474 449 HE21 GLN 61 HE21 GLN 61 3.700 11.066 -1.407 450 HE22 GLN 61 HE22 GLN 61 4.720 12.290 -2.073 451 H ALA 62 H ALA 62 2.095 9.730 -5.949 452 HA ALA 62 HA ALA 62 2.776 7.036 -5.074 453 HB1 ALA 62 HB1 ALA 62 3.576 8.736 -7.406 454 HB2 ALA 62 HB2 ALA 62 4.487 7.286 -6.985 455 HB3 ALA 62 HB3 ALA 62 2.776 7.164 -7.395 456 H LYS 63 H LYS 63 3.321 8.390 -2.960 457 HA LYS 63 HA LYS 63 5.489 9.951 -2.567 458 HB2 LYS 63 HB2 LYS 63 4.335 9.408 -0.624 459 HB3 LYS 63 HB3 LYS 63 4.373 7.682 -0.962 460 HG2 LYS 63 HG2 LYS 63 5.805 8.209 0.911 461 HG3 LYS 63 HG3 LYS 63 6.770 7.643 -0.454 462 HD2 LYS 63 HD2 LYS 63 7.816 9.567 0.626 463 HD3 LYS 63 HD3 LYS 63 7.324 9.956 -1.024 464 HE2 LYS 63 HE2 LYS 63 5.346 11.086 -0.196 465 HE3 LYS 63 HE3 LYS 63 5.746 10.627 1.458 466 HZ1 LYS 63 HZ1 LYS 63 6.382 12.914 0.964 467 HZ2 LYS 63 HZ2 LYS 63 7.398 12.381 -0.278 468 HZ3 LYS 63 HZ3 LYS 63 7.737 11.969 1.327 469 H LYS 64 H LYS 64 5.564 6.436 -3.021 470 HA LYS 64 HA LYS 64 8.433 6.667 -3.638 471 HB2 LYS 64 HB2 LYS 64 7.436 5.381 -1.416 472 HB3 LYS 64 HB3 LYS 64 7.607 4.066 -2.571 473 HG2 LYS 64 HG2 LYS 64 9.699 3.970 -1.778 474 HG3 LYS 64 HG3 LYS 64 9.982 5.313 -2.888 475 HD2 LYS 64 HD2 LYS 64 10.871 6.073 -0.871 476 HD3 LYS 64 HD3 LYS 64 9.269 6.812 -0.919 477 HE2 LYS 64 HE2 LYS 64 9.052 4.245 0.295 478 HE3 LYS 64 HE3 LYS 64 10.375 5.118 1.067 479 HZ1 LYS 64 HZ1 LYS 64 7.628 5.460 1.448 480 HZ2 LYS 64 HZ2 LYS 64 8.219 6.877 0.738 481 HZ3 LYS 64 HZ3 LYS 64 8.897 6.307 2.179 482 H VAL 65 H VAL 65 8.540 6.382 -5.774 483 HA VAL 65 HA VAL 65 6.903 4.262 -6.996 484 HB VAL 65 HB VAL 65 7.613 6.940 -7.859 485 HG11 VAL 65 HG11 VAL 65 8.179 4.660 -9.748 486 HG12 VAL 65 HG12 VAL 65 7.974 6.341 -10.246 487 HG13 VAL 65 HG13 VAL 65 9.313 5.889 -9.189 488 HG21 VAL 65 HG21 VAL 65 5.352 5.654 -7.703 489 HG22 VAL 65 HG22 VAL 65 5.614 6.810 -9.008 490 HG23 VAL 65 HG23 VAL 65 5.782 5.081 -9.314 491 H ARG 66 H ARG 66 7.836 2.683 -8.241 492 HA ARG 66 HA ARG 66 10.767 2.699 -8.468 493 HB2 ARG 66 HB2 ARG 66 9.040 0.404 -7.529 494 HB3 ARG 66 HB3 ARG 66 10.735 0.247 -7.969 495 HG2 ARG 66 HG2 ARG 66 11.434 1.573 -6.149 496 HG3 ARG 66 HG3 ARG 66 9.791 2.131 -5.831 497 HD2 ARG 66 HD2 ARG 66 9.143 0.091 -4.920 498 HD3 ARG 66 HD3 ARG 66 10.468 -0.781 -5.689 499 HE ARG 66 HE ARG 66 11.308 1.182 -3.755 500 HH11 ARG 66 HH11 ARG 66 10.327 -2.118 -4.273 501 HH12 ARG 66 HH12 ARG 66 11.115 -2.713 -2.849 502 HH21 ARG 66 HH21 ARG 66 12.349 0.411 -1.878 503 HH22 ARG 66 HH22 ARG 66 12.264 -1.273 -1.487 504 H ARG 67 H ARG 67 11.603 1.827 -10.325 505 HA ARG 67 HA ARG 67 9.803 1.579 -12.545 506 HB2 ARG 67 HB2 ARG 67 12.603 2.046 -12.157 507 HB3 ARG 67 HB3 ARG 67 12.396 0.716 -13.288 508 HG2 ARG 67 HG2 ARG 67 11.351 2.031 -14.858 509 HG3 ARG 67 HG3 ARG 67 10.810 3.211 -13.662 510 HD2 ARG 67 HD2 ARG 67 12.708 4.402 -13.805 511 HD3 ARG 67 HD3 ARG 67 13.719 2.959 -13.871 512 HE ARG 67 HE ARG 67 12.801 4.512 -16.082 513 HH11 ARG 67 HH11 ARG 67 13.672 1.293 -15.081 514 HH12 ARG 67 HH12 ARG 67 14.112 0.776 -16.675 515 HH21 ARG 67 HH21 ARG 67 13.377 3.843 -18.185 516 HH22 ARG 67 HH22 ARG 67 13.945 2.228 -18.440 517 H ILE 68 H ILE 68 9.135 -0.221 -13.586 518 HA ILE 68 HA ILE 68 10.298 -2.805 -12.846 519 HB ILE 68 HB ILE 68 7.311 -2.437 -12.949 520 HG12 ILE 68 HG12 ILE 68 8.389 -1.096 -11.094 521 HG13 ILE 68 HG13 ILE 68 7.236 -2.317 -10.565 522 HG21 ILE 68 HG21 ILE 68 7.800 -4.590 -11.387 523 HG22 ILE 68 HG22 ILE 68 7.526 -4.668 -13.127 524 HG23 ILE 68 HG23 ILE 68 9.172 -4.666 -12.493 525 HD11 ILE 68 HD11 ILE 68 8.782 -3.428 -9.412 526 HD12 ILE 68 HD12 ILE 68 9.980 -3.288 -10.700 527 HD13 ILE 68 HD13 ILE 68 9.746 -1.959 -9.565 Start of MODEL 3 1 H1 MET 1 H MET 1 1.327 0.903 0.422 2 HA MET 1 HA MET 1 2.338 1.211 -1.988 3 HB2 MET 1 HB2 MET 1 3.686 -0.845 -1.718 4 HB3 MET 1 HB3 MET 1 3.601 0.104 -0.240 5 HG2 MET 1 HG2 MET 1 1.566 -1.514 0.244 6 HG3 MET 1 HG3 MET 1 2.458 -2.558 -0.860 7 HE1 MET 1 HE1 MET 1 2.339 -1.925 3.149 8 HE2 MET 1 HE2 MET 1 1.504 -2.916 1.952 9 HE3 MET 1 HE3 MET 1 2.811 -3.608 2.915 10 H LYS 2 H LYS 2 1.677 0.870 -3.994 11 HA LYS 2 HA LYS 2 0.328 -1.657 -4.640 12 HB2 LYS 2 HB2 LYS 2 -0.569 1.099 -5.497 13 HB3 LYS 2 HB3 LYS 2 -1.202 -0.402 -6.159 14 HG2 LYS 2 HG2 LYS 2 -1.364 0.404 -3.262 15 HG3 LYS 2 HG3 LYS 2 -2.661 0.594 -4.444 16 HD2 LYS 2 HD2 LYS 2 -2.240 -1.977 -4.824 17 HD3 LYS 2 HD3 LYS 2 -1.572 -1.882 -3.192 18 HE2 LYS 2 HE2 LYS 2 -3.703 -0.814 -2.461 19 HE3 LYS 2 HE3 LYS 2 -4.353 -1.116 -4.072 20 HZ1 LYS 2 HZ1 LYS 2 -5.066 -2.990 -3.070 21 HZ2 LYS 2 HZ2 LYS 2 -3.850 -2.980 -1.895 22 HZ3 LYS 2 HZ3 LYS 2 -3.515 -3.546 -3.453 23 H LYS 3 H LYS 3 0.516 -2.314 -6.846 24 HA LYS 3 HA LYS 3 2.632 -0.926 -8.351 25 HB2 LYS 3 HB2 LYS 3 2.323 -3.923 -8.310 26 HB3 LYS 3 HB3 LYS 3 3.672 -2.980 -8.928 27 HG2 LYS 3 HG2 LYS 3 3.846 -2.185 -6.434 28 HG3 LYS 3 HG3 LYS 3 2.976 -3.689 -6.124 29 HD2 LYS 3 HD2 LYS 3 5.454 -3.607 -7.822 30 HD3 LYS 3 HD3 LYS 3 5.532 -3.768 -6.066 31 HE2 LYS 3 HE2 LYS 3 4.087 -5.619 -7.960 32 HE3 LYS 3 HE3 LYS 3 5.623 -5.948 -7.161 33 HZ1 LYS 3 HZ1 LYS 3 4.208 -6.976 -5.734 34 HZ2 LYS 3 HZ2 LYS 3 2.916 -5.933 -6.054 35 HZ3 LYS 3 HZ3 LYS 3 4.177 -5.432 -5.043 36 H GLY 4 H GLY 4 2.245 -0.602 -10.470 37 HA2 GLY 4 HA2 GLY 4 0.482 -2.240 -12.011 38 HA3 GLY 4 HA3 GLY 4 -0.281 -0.724 -11.557 39 H THR 5 H THR 5 -0.038 -1.175 -14.172 40 HA THR 5 HA THR 5 2.429 -0.073 -15.200 41 HB THR 5 HB THR 5 1.297 -0.234 -17.418 42 HG1 THR 5 HG1 THR 5 -0.871 0.007 -16.595 43 HG21 THR 5 HG21 THR 5 0.755 -2.913 -16.476 44 HG22 THR 5 HG22 THR 5 2.245 -2.281 -15.776 45 HG23 THR 5 HG23 THR 5 2.047 -2.334 -17.527 46 H VAL 6 H VAL 6 2.681 1.909 -16.228 47 HA VAL 6 HA VAL 6 0.865 3.985 -15.315 48 HB VAL 6 HB VAL 6 3.539 3.979 -15.456 49 HG11 VAL 6 HG11 VAL 6 3.487 3.814 -17.934 50 HG12 VAL 6 HG12 VAL 6 2.712 5.399 -17.984 51 HG13 VAL 6 HG13 VAL 6 4.346 5.235 -17.340 52 HG21 VAL 6 HG21 VAL 6 3.452 6.232 -14.919 53 HG22 VAL 6 HG22 VAL 6 2.129 6.554 -16.041 54 HG23 VAL 6 HG23 VAL 6 1.818 5.688 -14.536 55 H LYS 7 H LYS 7 -0.272 5.386 -16.628 56 HA LYS 7 HA LYS 7 -0.735 4.421 -19.356 57 HB2 LYS 7 HB2 LYS 7 -2.561 4.906 -17.493 58 HB3 LYS 7 HB3 LYS 7 -2.415 6.548 -18.107 59 HG2 LYS 7 HG2 LYS 7 -2.654 4.706 -20.291 60 HG3 LYS 7 HG3 LYS 7 -3.968 4.461 -19.138 61 HD2 LYS 7 HD2 LYS 7 -3.196 7.182 -20.164 62 HD3 LYS 7 HD3 LYS 7 -4.376 6.157 -20.983 63 HE2 LYS 7 HE2 LYS 7 -4.737 6.595 -18.073 64 HE3 LYS 7 HE3 LYS 7 -5.062 7.960 -19.141 65 HZ1 LYS 7 HZ1 LYS 7 -6.891 6.987 -19.969 66 HZ2 LYS 7 HZ2 LYS 7 -6.858 6.087 -18.537 67 HZ3 LYS 7 HZ3 LYS 7 -6.221 5.433 -19.962 68 H TRP 8 H TRP 8 0.400 7.177 -17.554 69 HA TRP 8 HA TRP 8 1.701 8.300 -19.794 70 HB2 TRP 8 HB2 TRP 8 0.389 10.099 -20.404 71 HB3 TRP 8 HB3 TRP 8 -0.850 8.896 -20.056 72 HD1 TRP 8 HD1 TRP 8 0.789 12.011 -18.480 73 HE1 TRP 8 HE1 TRP 8 -0.868 13.022 -16.788 74 HE3 TRP 8 HE3 TRP 8 -2.838 8.412 -18.645 75 HZ2 TRP 8 HZ2 TRP 8 -3.379 12.378 -15.672 76 HZ3 TRP 8 HZ3 TRP 8 -4.835 8.684 -17.234 77 HH2 TRP 8 HH2 TRP 8 -5.098 10.627 -15.779 78 H PHE 9 H PHE 9 3.253 9.727 -19.165 79 HA PHE 9 HA PHE 9 3.094 10.890 -16.484 80 HB2 PHE 9 HB2 PHE 9 4.325 8.817 -16.166 81 HB3 PHE 9 HB3 PHE 9 5.410 9.225 -17.492 82 HD1 PHE 9 HD2 PHE 9 7.133 10.906 -17.218 83 HD2 PHE 9 HD1 PHE 9 4.532 9.874 -14.011 84 HE1 PHE 9 HE2 PHE 9 8.644 12.031 -15.636 85 HE2 PHE 9 HE1 PHE 9 6.039 10.999 -12.423 86 HZ PHE 9 HZ PHE 9 8.098 12.078 -13.235 87 H ASN 10 H ASN 10 2.978 12.966 -17.198 88 HA ASN 10 HA ASN 10 4.460 14.023 -19.355 89 HB2 ASN 10 HB2 ASN 10 3.001 15.295 -17.045 90 HB3 ASN 10 HB3 ASN 10 3.850 16.259 -18.250 91 HD21 ASN 10 HD21 ASN 10 2.439 17.108 -19.589 92 HD22 ASN 10 HD22 ASN 10 1.085 16.298 -20.292 93 H ALA 11 H ALA 11 6.623 13.947 -19.346 94 HA ALA 11 HA ALA 11 8.162 14.287 -16.938 95 HB1 ALA 11 HB1 ALA 11 8.969 12.740 -18.585 96 HB2 ALA 11 HB2 ALA 11 8.990 13.998 -19.821 97 HB3 ALA 11 HB3 ALA 11 10.113 14.077 -18.463 98 H GLU 12 H GLU 12 7.180 16.270 -19.637 99 HA GLU 12 HA GLU 12 9.058 18.368 -19.206 100 HB2 GLU 12 HB2 GLU 12 8.047 18.166 -21.371 101 HB3 GLU 12 HB3 GLU 12 6.431 18.267 -20.688 102 HG2 GLU 12 HG2 GLU 12 6.517 20.525 -20.446 103 HG3 GLU 12 HG3 GLU 12 8.266 20.548 -20.225 104 H LYS 13 H LYS 13 5.791 17.705 -18.081 105 HA LYS 13 HA LYS 13 5.572 20.258 -16.737 106 HB2 LYS 13 HB2 LYS 13 3.769 17.834 -16.603 107 HB3 LYS 13 HB3 LYS 13 3.392 19.436 -15.982 108 HG2 LYS 13 HG2 LYS 13 4.097 19.174 -18.856 109 HG3 LYS 13 HG3 LYS 13 2.510 18.617 -18.322 110 HD2 LYS 13 HD2 LYS 13 3.618 21.359 -17.731 111 HD3 LYS 13 HD3 LYS 13 2.575 20.994 -19.108 112 HE2 LYS 13 HE2 LYS 13 0.892 20.110 -17.466 113 HE3 LYS 13 HE3 LYS 13 1.910 20.756 -16.179 114 HZ1 LYS 13 HZ1 LYS 13 1.684 22.906 -17.690 115 HZ2 LYS 13 HZ2 LYS 13 0.566 22.529 -16.478 116 HZ3 LYS 13 HZ3 LYS 13 0.219 22.161 -18.092 117 H GLY 14 H GLY 14 6.098 16.871 -15.868 118 HA2 GLY 14 HA2 GLY 14 7.506 16.271 -14.032 119 HA3 GLY 14 HA3 GLY 14 7.081 17.788 -13.253 120 H TYR 15 H TYR 15 4.751 15.620 -14.731 121 HA TYR 15 HA TYR 15 3.962 14.532 -12.156 122 HB2 TYR 15 HB2 TYR 15 1.767 15.400 -12.128 123 HB3 TYR 15 HB3 TYR 15 2.794 16.782 -12.492 124 HD1 TYR 15 HD1 TYR 15 0.309 14.443 -13.840 125 HD2 TYR 15 HD2 TYR 15 2.714 17.856 -14.656 126 HE1 TYR 15 HE1 TYR 15 -1.024 14.892 -15.858 127 HE2 TYR 15 HE2 TYR 15 1.387 18.315 -16.676 128 HH TYR 15 HH TYR 15 -0.880 16.055 -17.938 129 H GLY 16 H GLY 16 1.995 13.046 -12.463 130 HA2 GLY 16 HA2 GLY 16 1.381 12.030 -15.034 131 HA3 GLY 16 HA3 GLY 16 2.632 11.044 -14.290 132 H PHE 17 H PHE 17 0.526 9.645 -14.807 133 HA PHE 17 HA PHE 17 -0.717 9.221 -12.198 134 HB2 PHE 17 HB2 PHE 17 -2.175 9.784 -14.758 135 HB3 PHE 17 HB3 PHE 17 -2.904 8.737 -13.546 136 HD1 PHE 17 HD2 PHE 17 -1.430 12.114 -14.004 137 HD2 PHE 17 HD1 PHE 17 -4.078 9.648 -11.763 138 HE1 PHE 17 HE2 PHE 17 -2.243 14.095 -12.792 139 HE2 PHE 17 HE1 PHE 17 -4.896 11.625 -10.548 140 HZ PHE 17 HZ PHE 17 -3.979 13.852 -11.062 141 H ILE 18 H ILE 18 -0.585 7.153 -11.640 142 HA ILE 18 HA ILE 18 0.054 5.179 -13.707 143 HB ILE 18 HB ILE 18 0.222 4.912 -10.703 144 HG12 ILE 18 HG12 ILE 18 2.599 5.056 -12.515 145 HG13 ILE 18 HG13 ILE 18 1.793 6.548 -12.045 146 HG21 ILE 18 HG21 ILE 18 0.026 2.740 -11.477 147 HG22 ILE 18 HG22 ILE 18 0.884 3.088 -12.977 148 HG23 ILE 18 HG23 ILE 18 1.773 2.975 -11.458 149 HD11 ILE 18 HD11 ILE 18 3.462 6.333 -10.467 150 HD12 ILE 18 HD12 ILE 18 2.060 5.653 -9.640 151 HD13 ILE 18 HD13 ILE 18 3.268 4.584 -10.351 152 H GLN 19 H GLN 19 -1.026 3.173 -13.825 153 HA GLN 19 HA GLN 19 -3.680 3.133 -12.545 154 HB2 GLN 19 HB2 GLN 19 -3.140 1.917 -15.241 155 HB3 GLN 19 HB3 GLN 19 -4.686 2.338 -14.517 156 HG2 GLN 19 HG2 GLN 19 -2.616 4.180 -15.670 157 HG3 GLN 19 HG3 GLN 19 -4.277 3.927 -16.206 158 HE21 GLN 19 HE21 GLN 19 -2.502 6.203 -14.996 159 HE22 GLN 19 HE22 GLN 19 -3.585 6.960 -13.884 160 H GLN 20 H GLN 20 -4.113 1.385 -11.370 161 HA GLN 20 HA GLN 20 -2.236 -0.851 -11.453 162 HB2 GLN 20 HB2 GLN 20 -3.345 0.486 -9.351 163 HB3 GLN 20 HB3 GLN 20 -4.412 -0.907 -9.471 164 HG2 GLN 20 HG2 GLN 20 -2.198 -2.262 -9.548 165 HG3 GLN 20 HG3 GLN 20 -1.498 -0.804 -8.847 166 HE21 GLN 20 HE21 GLN 20 -2.142 -3.628 -7.873 167 HE22 GLN 20 HE22 GLN 20 -2.926 -3.364 -6.357 168 H GLU 21 H GLU 21 -3.778 -2.901 -10.477 169 HA GLU 21 HA GLU 21 -4.790 -4.129 -12.698 170 HB2 GLU 21 HB2 GLU 21 -5.817 -4.509 -9.880 171 HB3 GLU 21 HB3 GLU 21 -5.964 -5.660 -11.201 172 HG2 GLU 21 HG2 GLU 21 -3.374 -5.534 -11.255 173 HG3 GLU 21 HG3 GLU 21 -3.552 -4.892 -9.624 174 H GLU 22 H GLU 22 -6.445 -1.916 -10.533 175 HA GLU 22 HA GLU 22 -8.899 -2.185 -12.125 176 HB2 GLU 22 HB2 GLU 22 -8.538 -0.744 -9.494 177 HB3 GLU 22 HB3 GLU 22 -10.058 -1.114 -10.297 178 HG2 GLU 22 HG2 GLU 22 -9.318 -3.573 -10.067 179 HG3 GLU 22 HG3 GLU 22 -8.187 -2.952 -8.865 180 H GLY 23 H GLY 23 -6.226 -0.140 -11.576 181 HA2 GLY 23 HA2 GLY 23 -5.654 1.922 -12.406 182 HA3 GLY 23 HA3 GLY 23 -6.890 1.649 -13.625 183 HA PRO 24 HA PRO 24 -9.176 3.849 -9.985 184 HB2 PRO 24 HB2 PRO 24 -7.658 4.675 -7.890 185 HB3 PRO 24 HB3 PRO 24 -8.419 3.080 -7.956 186 HG2 PRO 24 HG2 PRO 24 -5.593 3.858 -8.567 187 HG3 PRO 24 HG3 PRO 24 -6.197 2.458 -7.662 188 HD2 PRO 24 HD2 PRO 24 -5.395 2.289 -10.242 189 HD3 PRO 24 HD3 PRO 24 -6.691 1.274 -9.577 190 H ASP 25 H ASP 25 -6.294 5.475 -8.919 191 HA ASP 25 HA ASP 25 -5.812 7.321 -10.889 192 HB2 ASP 25 HB2 ASP 25 -7.152 9.299 -9.825 193 HB3 ASP 25 HB3 ASP 25 -7.948 8.221 -10.968 194 H VAL 26 H VAL 26 -3.769 7.282 -10.043 195 HA VAL 26 HA VAL 26 -3.426 8.399 -7.338 196 HB VAL 26 HB VAL 26 -2.422 6.035 -8.308 197 HG11 VAL 26 HG11 VAL 26 -0.908 7.372 -9.787 198 HG12 VAL 26 HG12 VAL 26 -0.134 7.995 -8.329 199 HG13 VAL 26 HG13 VAL 26 -0.079 6.269 -8.689 200 HG21 VAL 26 HG21 VAL 26 -2.629 6.970 -5.944 201 HG22 VAL 26 HG22 VAL 26 -1.271 5.893 -6.265 202 HG23 VAL 26 HG23 VAL 26 -1.015 7.636 -6.190 203 H PHE 27 H PHE 27 -2.043 10.101 -7.008 204 HA PHE 27 HA PHE 27 -1.230 11.545 -9.422 205 HB2 PHE 27 HB2 PHE 27 -2.626 12.482 -7.351 206 HB3 PHE 27 HB3 PHE 27 -1.009 12.780 -6.722 207 HD1 PHE 27 HD1 PHE 27 0.517 13.603 -9.010 208 HD2 PHE 27 HD2 PHE 27 -3.528 14.485 -8.020 209 HE1 PHE 27 HE1 PHE 27 0.648 15.674 -10.332 210 HE2 PHE 27 HE2 PHE 27 -3.403 16.557 -9.341 211 HZ PHE 27 HZ PHE 27 -1.313 17.154 -10.498 212 H VAL 28 H VAL 28 0.803 11.361 -10.062 213 HA VAL 28 HA VAL 28 2.900 11.027 -8.016 214 HB VAL 28 HB VAL 28 4.085 9.520 -9.331 215 HG11 VAL 28 HG11 VAL 28 2.701 7.750 -9.287 216 HG12 VAL 28 HG12 VAL 28 1.533 8.903 -8.639 217 HG13 VAL 28 HG13 VAL 28 1.527 8.512 -10.359 218 HG21 VAL 28 HG21 VAL 28 4.165 10.656 -11.411 219 HG22 VAL 28 HG22 VAL 28 3.467 9.069 -11.736 220 HG23 VAL 28 HG23 VAL 28 2.426 10.489 -11.648 221 H HIS 29 H HIS 29 4.733 12.244 -8.208 222 HA HIS 29 HA HIS 29 4.792 14.185 -10.426 223 HB2 HIS 29 HB2 HIS 29 5.145 14.531 -7.496 224 HB3 HIS 29 HB3 HIS 29 6.191 15.487 -8.543 225 HD1 HIS 29 HD1 HIS 29 5.242 17.747 -8.777 226 HD2 HIS 29 HD2 HIS 29 2.277 14.837 -8.716 227 HE1 HIS 29 HE1 HIS 29 3.076 18.987 -9.086 228 H PHE 30 H PHE 30 6.926 14.969 -11.033 229 HA PHE 30 HA PHE 30 8.739 12.927 -11.552 230 HB2 PHE 30 HB2 PHE 30 10.166 14.581 -12.463 231 HB3 PHE 30 HB3 PHE 30 8.533 15.193 -12.707 232 HD1 PHE 30 HD2 PHE 30 7.636 16.770 -10.824 233 HD2 PHE 30 HD1 PHE 30 11.754 15.964 -11.539 234 HE1 PHE 30 HE2 PHE 30 8.242 18.853 -9.664 235 HE2 PHE 30 HE1 PHE 30 12.366 18.045 -10.379 236 HZ PHE 30 HZ PHE 30 10.610 19.493 -9.439 237 H THR 31 H THR 31 8.349 14.878 -8.743 238 HA THR 31 HA THR 31 10.983 14.154 -7.701 239 HB THR 31 HB THR 31 8.938 15.760 -6.194 240 HG1 THR 31 HG1 THR 31 9.875 17.619 -7.209 241 HG21 THR 31 HG21 THR 31 11.802 16.441 -6.152 242 HG22 THR 31 HG22 THR 31 11.397 14.860 -5.483 243 HG23 THR 31 HG23 THR 31 10.646 16.315 -4.827 244 H ALA 32 H ALA 32 8.646 12.274 -8.083 245 HA ALA 32 HA ALA 32 8.537 11.284 -5.308 246 HB1 ALA 32 HB1 ALA 32 6.368 10.314 -6.963 247 HB2 ALA 32 HB2 ALA 32 6.320 11.100 -5.384 248 HB3 ALA 32 HB3 ALA 32 6.376 12.075 -6.853 249 H ILE 33 H ILE 33 9.672 10.726 -8.379 250 HA ILE 33 HA ILE 33 9.428 7.829 -8.301 251 HB ILE 33 HB ILE 33 10.784 9.650 -10.292 252 HG12 ILE 33 HG12 ILE 33 8.798 8.407 -11.641 253 HG13 ILE 33 HG13 ILE 33 8.080 8.466 -10.035 254 HG21 ILE 33 HG21 ILE 33 11.911 7.849 -10.953 255 HG22 ILE 33 HG22 ILE 33 10.998 6.797 -9.873 256 HG23 ILE 33 HG23 ILE 33 10.368 7.175 -11.476 257 HD11 ILE 33 HD11 ILE 33 7.325 10.420 -10.968 258 HD12 ILE 33 HD12 ILE 33 8.772 10.971 -10.123 259 HD13 ILE 33 HD13 ILE 33 8.819 10.696 -11.865 260 H GLU 34 H GLU 34 10.963 6.456 -7.635 261 HA GLU 34 HA GLU 34 13.598 7.580 -6.940 262 HB2 GLU 34 HB2 GLU 34 12.356 5.187 -5.598 263 HB3 GLU 34 HB3 GLU 34 13.719 6.155 -5.053 264 HG2 GLU 34 HG2 GLU 34 11.617 7.958 -5.243 265 HG3 GLU 34 HG3 GLU 34 10.898 6.499 -4.564 266 H ALA 35 H ALA 35 14.466 7.045 -8.979 267 HA ALA 35 HA ALA 35 14.985 4.166 -9.316 268 HB1 ALA 35 HB1 ALA 35 15.130 5.420 -11.853 269 HB2 ALA 35 HB2 ALA 35 14.011 4.171 -11.307 270 HB3 ALA 35 HB3 ALA 35 13.595 5.873 -11.111 271 H ASP 36 H ASP 36 16.844 3.990 -11.103 272 HA ASP 36 HA ASP 36 19.060 5.557 -10.015 273 HB2 ASP 36 HB2 ASP 36 18.819 2.909 -11.367 274 HB3 ASP 36 HB3 ASP 36 20.338 3.786 -11.528 275 H GLY 37 H GLY 37 18.275 7.455 -11.249 276 HA2 GLY 37 HA2 GLY 37 19.835 8.276 -13.261 277 HA3 GLY 37 HA3 GLY 37 18.623 7.349 -14.133 278 H PHE 38 H PHE 38 17.009 8.509 -14.919 279 HA PHE 38 HA PHE 38 16.490 11.158 -13.805 280 HB2 PHE 38 HB2 PHE 38 16.030 9.840 -16.427 281 HB3 PHE 38 HB3 PHE 38 14.870 11.072 -15.942 282 HD1 PHE 38 HD1 PHE 38 18.434 10.431 -16.642 283 HD2 PHE 38 HD2 PHE 38 15.418 13.367 -16.008 284 HE1 PHE 38 HE1 PHE 38 19.983 12.182 -17.406 285 HE2 PHE 38 HE2 PHE 38 16.962 15.123 -16.772 286 HZ PHE 38 HZ PHE 38 19.249 14.532 -17.471 287 H ARG 39 H ARG 39 14.894 11.460 -12.413 288 HA ARG 39 HA ARG 39 13.098 9.473 -11.608 289 HB2 ARG 39 HB2 ARG 39 12.858 12.471 -11.293 290 HB3 ARG 39 HB3 ARG 39 11.931 11.276 -10.396 291 HG2 ARG 39 HG2 ARG 39 13.750 10.614 -9.136 292 HG3 ARG 39 HG3 ARG 39 14.915 11.219 -10.316 293 HD2 ARG 39 HD2 ARG 39 14.607 13.438 -9.657 294 HD3 ARG 39 HD3 ARG 39 13.075 13.084 -8.859 295 HE ARG 39 HE ARG 39 15.169 11.672 -7.598 296 HH11 ARG 39 HH11 ARG 39 13.883 14.888 -7.957 297 HH12 ARG 39 HH12 ARG 39 14.473 15.436 -6.423 298 HH21 ARG 39 HH21 ARG 39 15.950 12.382 -5.576 299 HH22 ARG 39 HH22 ARG 39 15.649 14.010 -5.069 300 H THR 40 H THR 40 11.874 8.575 -13.203 301 HA THR 40 HA THR 40 9.472 9.813 -13.945 302 HB THR 40 HB THR 40 10.644 11.204 -15.471 303 HG1 THR 40 HG1 THR 40 9.829 10.408 -17.483 304 HG21 THR 40 HG21 THR 40 12.369 8.886 -15.749 305 HG22 THR 40 HG22 THR 40 12.703 10.585 -16.084 306 HG23 THR 40 HG23 THR 40 11.935 9.577 -17.311 307 H LEU 41 H LEU 41 8.163 8.477 -15.388 308 HA LEU 41 HA LEU 41 9.049 5.672 -15.327 309 HB2 LEU 41 HB2 LEU 41 6.206 6.574 -15.624 310 HB3 LEU 41 HB3 LEU 41 6.815 5.007 -15.095 311 HG LEU 41 HG LEU 41 6.995 7.564 -13.502 312 HD11 LEU 41 HD11 LEU 41 4.800 7.167 -13.204 313 HD12 LEU 41 HD12 LEU 41 5.381 5.933 -12.087 314 HD13 LEU 41 HD13 LEU 41 4.920 5.488 -13.730 315 HD21 LEU 41 HD21 LEU 41 8.409 6.485 -12.179 316 HD22 LEU 41 HD22 LEU 41 8.408 5.124 -13.302 317 HD23 LEU 41 HD23 LEU 41 7.249 5.173 -11.972 318 H ASN 42 H ASN 42 7.441 4.440 -17.041 319 HA ASN 42 HA ASN 42 7.771 5.835 -19.612 320 HB2 ASN 42 HB2 ASN 42 8.443 2.956 -18.976 321 HB3 ASN 42 HB3 ASN 42 8.359 3.608 -20.610 322 HD21 ASN 42 HD21 ASN 42 10.020 3.859 -17.527 323 HD22 ASN 42 HD22 ASN 42 11.488 4.515 -18.161 324 H GLU 43 H GLU 43 6.008 5.870 -20.854 325 HA GLU 43 HA GLU 43 3.522 4.970 -19.967 326 HB2 GLU 43 HB2 GLU 43 3.705 6.762 -21.583 327 HB3 GLU 43 HB3 GLU 43 4.442 5.680 -22.756 328 HG2 GLU 43 HG2 GLU 43 2.316 4.358 -22.734 329 HG3 GLU 43 HG3 GLU 43 1.608 5.643 -21.758 330 H GLY 44 H GLY 44 2.671 3.004 -19.876 331 HA2 GLY 44 HA2 GLY 44 1.995 0.928 -20.741 332 HA3 GLY 44 HA3 GLY 44 3.210 1.082 -22.001 333 H GLU 45 H GLU 45 4.570 1.833 -19.046 334 HA GLU 45 HA GLU 45 5.719 -0.866 -18.850 335 HB2 GLU 45 HB2 GLU 45 7.285 1.009 -19.330 336 HB3 GLU 45 HB3 GLU 45 6.837 1.736 -17.794 337 HG2 GLU 45 HG2 GLU 45 8.018 0.231 -16.572 338 HG3 GLU 45 HG3 GLU 45 7.800 -1.064 -17.748 339 H HIS 46 H HIS 46 6.282 -1.634 -16.677 340 HA HIS 46 HA HIS 46 4.103 -1.094 -14.829 341 HB2 HIS 46 HB2 HIS 46 6.308 -3.115 -14.452 342 HB3 HIS 46 HB3 HIS 46 4.697 -3.117 -13.740 343 HD1 HIS 46 HD1 HIS 46 2.919 -4.372 -14.970 344 HD2 HIS 46 HD2 HIS 46 6.300 -3.724 -17.297 345 HE1 HIS 46 HE1 HIS 46 2.551 -5.698 -17.075 346 H VAL 47 H VAL 47 4.328 -0.311 -12.765 347 HA VAL 47 HA VAL 47 6.921 0.219 -11.627 348 HB VAL 47 HB VAL 47 6.315 2.712 -11.343 349 HG11 VAL 47 HG11 VAL 47 7.898 3.148 -12.879 350 HG12 VAL 47 HG12 VAL 47 7.989 1.392 -13.021 351 HG13 VAL 47 HG13 VAL 47 7.023 2.321 -14.167 352 HG21 VAL 47 HG21 VAL 47 4.783 3.699 -12.713 353 HG22 VAL 47 HG22 VAL 47 4.965 2.485 -13.980 354 HG23 VAL 47 HG23 VAL 47 4.022 2.118 -12.535 355 H GLU 48 H GLU 48 6.838 0.472 -9.437 356 HA GLU 48 HA GLU 48 4.201 0.143 -8.213 357 HB2 GLU 48 HB2 GLU 48 5.703 -1.529 -7.486 358 HB3 GLU 48 HB3 GLU 48 7.005 -0.371 -7.250 359 HG2 GLU 48 HG2 GLU 48 5.894 0.566 -5.335 360 HG3 GLU 48 HG3 GLU 48 4.485 -0.458 -5.609 361 H PHE 49 H PHE 49 3.238 1.715 -7.105 362 HA PHE 49 HA PHE 49 4.851 4.057 -6.330 363 HB2 PHE 49 HB2 PHE 49 2.687 5.353 -6.590 364 HB3 PHE 49 HB3 PHE 49 3.405 4.760 -8.085 365 HD1 PHE 49 HD1 PHE 49 2.439 2.747 -9.192 366 HD2 PHE 49 HD2 PHE 49 0.537 4.675 -5.908 367 HE1 PHE 49 HE1 PHE 49 0.323 1.629 -9.765 368 HE2 PHE 49 HE2 PHE 49 -1.581 3.559 -6.475 369 HZ PHE 49 HZ PHE 49 -1.691 2.035 -8.406 370 H GLU 50 H GLU 50 4.421 5.040 -4.351 371 HA GLU 50 HA GLU 50 2.931 3.350 -2.464 372 HB2 GLU 50 HB2 GLU 50 5.496 4.530 -2.343 373 HB3 GLU 50 HB3 GLU 50 4.499 5.380 -1.170 374 HG2 GLU 50 HG2 GLU 50 4.587 2.389 -1.268 375 HG3 GLU 50 HG3 GLU 50 5.797 3.323 -0.390 376 H VAL 51 H VAL 51 0.868 4.111 -2.578 377 HA VAL 51 HA VAL 51 0.005 6.709 -2.932 378 HB VAL 51 HB VAL 51 -1.279 4.483 -1.349 379 HG11 VAL 51 HG11 VAL 51 -2.198 7.256 -1.933 380 HG12 VAL 51 HG12 VAL 51 -3.381 5.946 -1.933 381 HG13 VAL 51 HG13 VAL 51 -2.425 6.274 -0.487 382 HG21 VAL 51 HG21 VAL 51 -1.249 3.757 -3.535 383 HG22 VAL 51 HG22 VAL 51 -2.788 4.616 -3.481 384 HG23 VAL 51 HG23 VAL 51 -1.372 5.389 -4.192 385 H GLU 52 H GLU 52 -0.052 8.498 -1.724 386 HA GLU 52 HA GLU 52 0.611 8.251 1.137 387 HB2 GLU 52 HB2 GLU 52 2.119 9.519 -0.753 388 HB3 GLU 52 HB3 GLU 52 1.133 10.845 -0.153 389 HG2 GLU 52 HG2 GLU 52 3.304 10.609 1.003 390 HG3 GLU 52 HG3 GLU 52 1.912 10.507 2.079 391 HA PRO 53 HA PRO 53 -3.299 10.127 1.939 392 HB2 PRO 53 HB2 PRO 53 -2.838 10.894 4.502 393 HB3 PRO 53 HB3 PRO 53 -3.126 9.213 4.040 394 HG2 PRO 53 HG2 PRO 53 -0.535 10.612 4.578 395 HG3 PRO 53 HG3 PRO 53 -1.061 8.997 5.088 396 HD2 PRO 53 HD2 PRO 53 0.595 9.392 2.983 397 HD3 PRO 53 HD3 PRO 53 -0.569 8.054 3.043 398 H GLY 54 H GLY 54 -1.494 12.107 4.143 399 HA2 GLY 54 HA2 GLY 54 -2.433 14.496 2.813 400 HA3 GLY 54 HA3 GLY 54 -1.555 14.422 4.333 401 H ARG 55 H ARG 55 -0.825 13.408 0.993 402 HA ARG 55 HA ARG 55 1.526 15.168 1.058 403 HB2 ARG 55 HB2 ARG 55 1.624 12.362 1.215 404 HB3 ARG 55 HB3 ARG 55 2.078 12.762 -0.436 405 HG2 ARG 55 HG2 ARG 55 3.366 13.799 2.080 406 HG3 ARG 55 HG3 ARG 55 4.043 12.622 0.952 407 HD2 ARG 55 HD2 ARG 55 3.930 14.373 -0.824 408 HD3 ARG 55 HD3 ARG 55 3.445 15.528 0.418 409 HE ARG 55 HE ARG 55 5.792 14.357 1.299 410 HH11 ARG 55 HH11 ARG 55 4.741 16.298 -1.393 411 HH12 ARG 55 HH12 ARG 55 6.281 17.060 -1.613 412 HH21 ARG 55 HH21 ARG 55 7.825 15.353 1.019 413 HH22 ARG 55 HH22 ARG 55 8.035 16.521 -0.241 414 H GLY 56 H GLY 56 -0.728 13.257 -0.882 415 HA2 GLY 56 HA2 GLY 56 0.111 14.440 -3.368 416 HA3 GLY 56 HA3 GLY 56 -1.279 13.393 -3.126 417 H GLY 57 H GLY 57 -0.731 16.128 -4.458 418 HA2 GLY 57 HA2 GLY 57 -2.028 18.201 -3.212 419 HA3 GLY 57 HA3 GLY 57 -2.070 17.934 -4.948 420 H LYS 58 H LYS 58 -3.480 15.419 -4.803 421 HA LYS 58 HA LYS 58 -6.150 16.472 -4.172 422 HB2 LYS 58 HB2 LYS 58 -5.061 14.831 -6.325 423 HB3 LYS 58 HB3 LYS 58 -6.508 14.131 -5.612 424 HG2 LYS 58 HG2 LYS 58 -7.736 15.501 -6.836 425 HG3 LYS 58 HG3 LYS 58 -7.037 16.871 -5.970 426 HD2 LYS 58 HD2 LYS 58 -6.618 17.308 -8.241 427 HD3 LYS 58 HD3 LYS 58 -5.088 16.698 -7.606 428 HE2 LYS 58 HE2 LYS 58 -5.412 15.601 -9.669 429 HE3 LYS 58 HE3 LYS 58 -5.815 14.416 -8.427 430 HZ1 LYS 58 HZ1 LYS 58 -7.373 14.776 -10.462 431 HZ2 LYS 58 HZ2 LYS 58 -7.957 16.077 -9.554 432 HZ3 LYS 58 HZ3 LYS 58 -8.031 14.508 -8.927 433 H GLY 59 H GLY 59 -3.834 14.142 -3.223 434 HA2 GLY 59 HA2 GLY 59 -4.724 13.367 -0.862 435 HA3 GLY 59 HA3 GLY 59 -5.814 12.452 -1.893 436 HA PRO 60 HA PRO 60 -2.796 9.241 -1.768 437 HB2 PRO 60 HB2 PRO 60 -3.794 7.714 -3.778 438 HB3 PRO 60 HB3 PRO 60 -4.541 7.804 -2.179 439 HG2 PRO 60 HG2 PRO 60 -5.292 9.228 -4.702 440 HG3 PRO 60 HG3 PRO 60 -6.340 8.449 -3.503 441 HD2 PRO 60 HD2 PRO 60 -5.952 11.128 -3.577 442 HD3 PRO 60 HD3 PRO 60 -6.241 10.247 -2.064 443 H GLN 61 H GLN 61 -0.812 9.818 -2.460 444 HA GLN 61 HA GLN 61 -0.415 10.147 -5.361 445 HB2 GLN 61 HB2 GLN 61 1.446 11.630 -4.876 446 HB3 GLN 61 HB3 GLN 61 -0.014 12.225 -4.096 447 HG2 GLN 61 HG2 GLN 61 0.777 11.849 -2.006 448 HG3 GLN 61 HG3 GLN 61 1.752 10.467 -2.501 449 HE21 GLN 61 HE21 GLN 61 3.807 10.809 -3.342 450 HE22 GLN 61 HE22 GLN 61 4.638 12.312 -3.156 451 H ALA 62 H ALA 62 2.002 9.744 -5.928 452 HA ALA 62 HA ALA 62 2.622 7.065 -4.966 453 HB1 ALA 62 HB1 ALA 62 3.585 8.692 -7.301 454 HB2 ALA 62 HB2 ALA 62 4.335 7.162 -6.844 455 HB3 ALA 62 HB3 ALA 62 2.635 7.206 -7.312 456 H LYS 63 H LYS 63 3.159 8.387 -2.863 457 HA LYS 63 HA LYS 63 5.293 9.963 -2.412 458 HB2 LYS 63 HB2 LYS 63 4.011 9.239 -0.549 459 HB3 LYS 63 HB3 LYS 63 4.383 7.547 -0.856 460 HG2 LYS 63 HG2 LYS 63 5.890 7.813 0.772 461 HG3 LYS 63 HG3 LYS 63 6.868 8.572 -0.486 462 HD2 LYS 63 HD2 LYS 63 5.065 9.961 1.495 463 HD3 LYS 63 HD3 LYS 63 6.830 9.994 1.464 464 HE2 LYS 63 HE2 LYS 63 4.985 11.108 -0.647 465 HE3 LYS 63 HE3 LYS 63 5.907 12.044 0.529 466 HZ1 LYS 63 HZ1 LYS 63 6.726 11.207 -1.986 467 HZ2 LYS 63 HZ2 LYS 63 7.634 10.311 -0.875 468 HZ3 LYS 63 HZ3 LYS 63 7.651 12.002 -0.813 469 H LYS 64 H LYS 64 5.445 6.479 -3.022 470 HA LYS 64 HA LYS 64 8.308 6.792 -3.617 471 HB2 LYS 64 HB2 LYS 64 7.226 5.318 -1.470 472 HB3 LYS 64 HB3 LYS 64 7.740 4.135 -2.665 473 HG2 LYS 64 HG2 LYS 64 9.926 5.589 -2.692 474 HG3 LYS 64 HG3 LYS 64 9.357 6.072 -1.093 475 HD2 LYS 64 HD2 LYS 64 9.287 3.754 -0.385 476 HD3 LYS 64 HD3 LYS 64 9.749 3.221 -2.004 477 HE2 LYS 64 HE2 LYS 64 11.924 3.769 -1.707 478 HE3 LYS 64 HE3 LYS 64 11.545 5.178 -0.718 479 HZ1 LYS 64 HZ1 LYS 64 11.475 3.941 1.184 480 HZ2 LYS 64 HZ2 LYS 64 12.647 3.074 0.326 481 HZ3 LYS 64 HZ3 LYS 64 11.055 2.507 0.391 482 H VAL 65 H VAL 65 8.489 6.481 -5.736 483 HA VAL 65 HA VAL 65 6.843 4.397 -7.007 484 HB VAL 65 HB VAL 65 7.603 7.070 -7.831 485 HG11 VAL 65 HG11 VAL 65 8.028 6.494 -10.211 486 HG12 VAL 65 HG12 VAL 65 9.332 6.013 -9.123 487 HG13 VAL 65 HG13 VAL 65 8.197 4.806 -9.731 488 HG21 VAL 65 HG21 VAL 65 5.335 5.738 -7.763 489 HG22 VAL 65 HG22 VAL 65 5.619 6.986 -8.977 490 HG23 VAL 65 HG23 VAL 65 5.809 5.284 -9.400 491 H ARG 66 H ARG 66 7.777 2.810 -8.241 492 HA ARG 66 HA ARG 66 10.713 2.782 -8.408 493 HB2 ARG 66 HB2 ARG 66 8.938 0.489 -7.550 494 HB3 ARG 66 HB3 ARG 66 10.652 0.341 -7.912 495 HG2 ARG 66 HG2 ARG 66 10.721 2.326 -6.092 496 HG3 ARG 66 HG3 ARG 66 9.304 1.430 -5.538 497 HD2 ARG 66 HD2 ARG 66 10.788 -0.653 -5.754 498 HD3 ARG 66 HD3 ARG 66 12.136 0.481 -5.830 499 HE ARG 66 HE ARG 66 10.620 1.156 -3.603 500 HH11 ARG 66 HH11 ARG 66 12.522 -1.532 -4.733 501 HH12 ARG 66 HH12 ARG 66 12.975 -2.048 -3.143 502 HH21 ARG 66 HH21 ARG 66 11.209 0.485 -1.504 503 HH22 ARG 66 HH22 ARG 66 12.227 -0.901 -1.307 504 H ARG 67 H ARG 67 11.573 1.920 -10.256 505 HA ARG 67 HA ARG 67 9.803 1.698 -12.509 506 HB2 ARG 67 HB2 ARG 67 11.906 2.795 -12.856 507 HB3 ARG 67 HB3 ARG 67 12.794 1.416 -12.222 508 HG2 ARG 67 HG2 ARG 67 12.301 0.105 -14.129 509 HG3 ARG 67 HG3 ARG 67 11.107 1.270 -14.703 510 HD2 ARG 67 HD2 ARG 67 12.780 2.857 -15.241 511 HD3 ARG 67 HD3 ARG 67 14.017 1.952 -14.368 512 HE ARG 67 HE ARG 67 13.226 0.210 -16.272 513 HH11 ARG 67 HH11 ARG 67 14.249 3.536 -16.371 514 HH12 ARG 67 HH12 ARG 67 14.929 3.416 -17.960 515 HH21 ARG 67 HH21 ARG 67 14.119 0.039 -18.364 516 HH22 ARG 67 HH22 ARG 67 14.854 1.426 -19.093 517 H ILE 68 H ILE 68 9.131 -0.096 -13.546 518 HA ILE 68 HA ILE 68 10.317 -2.680 -12.837 519 HB ILE 68 HB ILE 68 7.328 -2.338 -12.939 520 HG12 ILE 68 HG12 ILE 68 8.386 -0.994 -11.077 521 HG13 ILE 68 HG13 ILE 68 7.247 -2.231 -10.555 522 HG21 ILE 68 HG21 ILE 68 9.172 -4.527 -12.011 523 HG22 ILE 68 HG22 ILE 68 7.445 -4.502 -11.660 524 HG23 ILE 68 HG23 ILE 68 8.004 -4.579 -13.331 525 HD11 ILE 68 HD11 ILE 68 9.582 -1.897 -9.383 526 HD12 ILE 68 HD12 ILE 68 8.862 -3.495 -9.577 527 HD13 ILE 68 HD13 ILE 68 10.119 -2.954 -10.688 Start of MODEL 4 1 H1 MET 1 H MET 1 1.807 2.294 -0.482 2 HA MET 1 HA MET 1 2.921 0.470 -1.631 3 HB2 MET 1 HB2 MET 1 2.140 0.195 0.820 4 HB3 MET 1 HB3 MET 1 0.907 -0.869 0.154 5 HG2 MET 1 HG2 MET 1 2.847 -2.111 -0.956 6 HG3 MET 1 HG3 MET 1 3.880 -1.218 0.157 7 HE1 MET 1 HE1 MET 1 4.733 -2.794 2.222 8 HE2 MET 1 HE2 MET 1 4.105 -4.437 2.086 9 HE3 MET 1 HE3 MET 1 4.700 -3.599 0.652 10 H LYS 2 H LYS 2 1.624 0.977 -3.737 11 HA LYS 2 HA LYS 2 0.116 -1.459 -4.406 12 HB2 LYS 2 HB2 LYS 2 -0.511 1.367 -5.277 13 HB3 LYS 2 HB3 LYS 2 -1.263 -0.069 -5.960 14 HG2 LYS 2 HG2 LYS 2 -1.400 0.689 -3.050 15 HG3 LYS 2 HG3 LYS 2 -2.636 1.086 -4.246 16 HD2 LYS 2 HD2 LYS 2 -2.532 -1.502 -4.721 17 HD3 LYS 2 HD3 LYS 2 -1.896 -1.553 -3.075 18 HE2 LYS 2 HE2 LYS 2 -3.859 -0.661 -2.168 19 HE3 LYS 2 HE3 LYS 2 -4.413 -0.059 -3.729 20 HZ1 LYS 2 HZ1 LYS 2 -4.109 -2.828 -3.930 21 HZ2 LYS 2 HZ2 LYS 2 -5.539 -1.928 -3.999 22 HZ3 LYS 2 HZ3 LYS 2 -4.984 -2.518 -2.515 23 H LYS 3 H LYS 3 0.278 -2.149 -6.601 24 HA LYS 3 HA LYS 3 2.518 -0.959 -8.096 25 HB2 LYS 3 HB2 LYS 3 1.977 -3.924 -7.945 26 HB3 LYS 3 HB3 LYS 3 3.370 -3.123 -8.660 27 HG2 LYS 3 HG2 LYS 3 3.651 -2.213 -6.190 28 HG3 LYS 3 HG3 LYS 3 2.754 -3.687 -5.816 29 HD2 LYS 3 HD2 LYS 3 5.141 -3.755 -7.629 30 HD3 LYS 3 HD3 LYS 3 5.336 -3.781 -5.875 31 HE2 LYS 3 HE2 LYS 3 3.566 -5.702 -6.008 32 HE3 LYS 3 HE3 LYS 3 4.102 -5.813 -7.683 33 HZ1 LYS 3 HZ1 LYS 3 5.523 -7.258 -6.653 34 HZ2 LYS 3 HZ2 LYS 3 5.593 -6.368 -5.217 35 HZ3 LYS 3 HZ3 LYS 3 6.442 -5.840 -6.581 36 H GLY 4 H GLY 4 2.189 -0.661 -10.232 37 HA2 GLY 4 HA2 GLY 4 0.362 -2.191 -11.787 38 HA3 GLY 4 HA3 GLY 4 -0.351 -0.650 -11.334 39 H THR 5 H THR 5 -0.093 -1.097 -13.947 40 HA THR 5 HA THR 5 2.425 -0.051 -14.926 41 HB THR 5 HB THR 5 1.196 -0.139 -17.172 42 HG1 THR 5 HG1 THR 5 -0.918 -0.279 -15.950 43 HG21 THR 5 HG21 THR 5 1.140 -2.789 -16.967 44 HG22 THR 5 HG22 THR 5 1.958 -2.436 -15.445 45 HG23 THR 5 HG23 THR 5 2.655 -1.887 -16.969 46 H VAL 6 H VAL 6 2.694 1.905 -16.032 47 HA VAL 6 HA VAL 6 0.956 4.032 -15.112 48 HB VAL 6 HB VAL 6 3.608 3.985 -15.376 49 HG11 VAL 6 HG11 VAL 6 3.457 3.684 -17.836 50 HG12 VAL 6 HG12 VAL 6 2.706 5.278 -17.948 51 HG13 VAL 6 HG13 VAL 6 4.361 5.121 -17.357 52 HG21 VAL 6 HG21 VAL 6 1.880 5.796 -14.556 53 HG22 VAL 6 HG22 VAL 6 3.563 6.220 -14.870 54 HG23 VAL 6 HG23 VAL 6 2.324 6.580 -16.072 55 H LYS 7 H LYS 7 -0.221 5.426 -16.400 56 HA LYS 7 HA LYS 7 -0.866 4.393 -19.065 57 HB2 LYS 7 HB2 LYS 7 -2.623 4.857 -17.228 58 HB3 LYS 7 HB3 LYS 7 -2.381 6.554 -17.621 59 HG2 LYS 7 HG2 LYS 7 -3.630 6.408 -19.453 60 HG3 LYS 7 HG3 LYS 7 -2.823 4.930 -19.984 61 HD2 LYS 7 HD2 LYS 7 -4.887 4.058 -19.613 62 HD3 LYS 7 HD3 LYS 7 -4.258 3.921 -17.969 63 HE2 LYS 7 HE2 LYS 7 -5.301 6.065 -17.402 64 HE3 LYS 7 HE3 LYS 7 -5.934 6.190 -19.043 65 HZ1 LYS 7 HZ1 LYS 7 -7.278 5.128 -16.992 66 HZ2 LYS 7 HZ2 LYS 7 -6.589 3.734 -17.658 67 HZ3 LYS 7 HZ3 LYS 7 -7.565 4.734 -18.612 68 H TRP 8 H TRP 8 0.437 7.174 -17.420 69 HA TRP 8 HA TRP 8 1.680 8.189 -19.724 70 HB2 TRP 8 HB2 TRP 8 0.391 10.046 -20.340 71 HB3 TRP 8 HB3 TRP 8 -0.806 8.774 -20.112 72 HD1 TRP 8 HD1 TRP 8 0.559 11.917 -18.345 73 HE1 TRP 8 HE1 TRP 8 -1.253 12.788 -16.739 74 HE3 TRP 8 HE3 TRP 8 -2.851 8.141 -18.844 75 HZ2 TRP 8 HZ2 TRP 8 -3.792 11.981 -15.806 76 HZ3 TRP 8 HZ3 TRP 8 -4.945 8.266 -17.559 77 HH2 TRP 8 HH2 TRP 8 -5.404 10.147 -16.072 78 H PHE 9 H PHE 9 3.264 9.598 -19.171 79 HA PHE 9 HA PHE 9 3.128 10.894 -16.543 80 HB2 PHE 9 HB2 PHE 9 4.423 8.947 -16.081 81 HB3 PHE 9 HB3 PHE 9 5.360 9.137 -17.559 82 HD1 PHE 9 HD1 PHE 9 4.676 10.720 -14.275 83 HD2 PHE 9 HD2 PHE 9 7.367 10.316 -17.548 84 HE1 PHE 9 HE1 PHE 9 6.379 11.981 -13.026 85 HE2 PHE 9 HE2 PHE 9 9.075 11.576 -16.304 86 HZ PHE 9 HZ PHE 9 8.582 12.412 -14.041 87 H ASN 10 H ASN 10 2.968 12.950 -17.286 88 HA ASN 10 HA ASN 10 4.457 13.937 -19.509 89 HB2 ASN 10 HB2 ASN 10 2.210 14.788 -18.428 90 HB3 ASN 10 HB3 ASN 10 3.295 15.762 -17.441 91 HD21 ASN 10 HD21 ASN 10 1.419 15.909 -20.039 92 HD22 ASN 10 HD22 ASN 10 2.267 17.077 -20.987 93 H ALA 11 H ALA 11 6.588 14.193 -19.450 94 HA ALA 11 HA ALA 11 8.006 14.637 -16.984 95 HB1 ALA 11 HB1 ALA 11 8.736 13.318 -19.132 96 HB2 ALA 11 HB2 ALA 11 9.327 14.900 -19.641 97 HB3 ALA 11 HB3 ALA 11 9.925 14.174 -18.150 98 H GLU 12 H GLU 12 6.978 16.556 -19.729 99 HA GLU 12 HA GLU 12 8.588 18.816 -19.305 100 HB2 GLU 12 HB2 GLU 12 7.372 18.531 -21.375 101 HB3 GLU 12 HB3 GLU 12 5.835 18.572 -20.523 102 HG2 GLU 12 HG2 GLU 12 5.855 20.828 -20.296 103 HG3 GLU 12 HG3 GLU 12 7.614 20.917 -20.221 104 H LYS 13 H LYS 13 5.270 18.128 -18.217 105 HA LYS 13 HA LYS 13 5.147 20.511 -16.618 106 HB2 LYS 13 HB2 LYS 13 3.326 18.099 -16.705 107 HB3 LYS 13 HB3 LYS 13 2.981 19.595 -15.847 108 HG2 LYS 13 HG2 LYS 13 2.925 20.821 -17.926 109 HG3 LYS 13 HG3 LYS 13 3.394 19.374 -18.822 110 HD2 LYS 13 HD2 LYS 13 1.082 19.474 -19.112 111 HD3 LYS 13 HD3 LYS 13 1.284 18.313 -17.798 112 HE2 LYS 13 HE2 LYS 13 -0.466 19.744 -17.127 113 HE3 LYS 13 HE3 LYS 13 0.950 20.257 -16.211 114 HZ1 LYS 13 HZ1 LYS 13 -0.116 21.559 -18.659 115 HZ2 LYS 13 HZ2 LYS 13 1.284 22.034 -17.838 116 HZ3 LYS 13 HZ3 LYS 13 -0.223 22.160 -17.080 117 H GLY 14 H GLY 14 5.988 17.163 -16.113 118 HA2 GLY 14 HA2 GLY 14 7.283 16.352 -14.336 119 HA3 GLY 14 HA3 GLY 14 6.951 17.832 -13.448 120 H TYR 15 H TYR 15 4.473 15.848 -14.941 121 HA TYR 15 HA TYR 15 3.710 14.776 -12.325 122 HB2 TYR 15 HB2 TYR 15 1.673 16.068 -14.135 123 HB3 TYR 15 HB3 TYR 15 1.458 15.525 -12.475 124 HD1 TYR 15 HD2 TYR 15 3.080 16.712 -10.732 125 HD2 TYR 15 HD1 TYR 15 1.956 18.328 -14.504 126 HE1 TYR 15 HE2 TYR 15 3.618 18.970 -9.918 127 HE2 TYR 15 HE1 TYR 15 2.491 20.590 -13.701 128 HH TYR 15 HH TYR 15 4.332 21.330 -11.378 129 H GLY 16 H GLY 16 1.855 13.170 -12.581 130 HA2 GLY 16 HA2 GLY 16 1.365 11.972 -15.107 131 HA3 GLY 16 HA3 GLY 16 2.623 11.090 -14.253 132 H PHE 17 H PHE 17 0.457 9.681 -14.834 133 HA PHE 17 HA PHE 17 -0.784 9.291 -12.215 134 HB2 PHE 17 HB2 PHE 17 -2.268 9.658 -14.815 135 HB3 PHE 17 HB3 PHE 17 -2.987 8.843 -13.430 136 HD1 PHE 17 HD2 PHE 17 -1.468 12.045 -14.516 137 HD2 PHE 17 HD1 PHE 17 -3.984 10.063 -11.712 138 HE1 PHE 17 HE2 PHE 17 -2.152 14.222 -13.597 139 HE2 PHE 17 HE1 PHE 17 -4.673 12.238 -10.789 140 HZ PHE 17 HZ PHE 17 -3.756 14.320 -11.731 141 H ILE 18 H ILE 18 -0.789 7.218 -11.624 142 HA ILE 18 HA ILE 18 -0.009 5.216 -13.611 143 HB ILE 18 HB ILE 18 -0.091 5.024 -10.597 144 HG12 ILE 18 HG12 ILE 18 2.402 4.973 -12.257 145 HG13 ILE 18 HG13 ILE 18 1.654 6.519 -11.871 146 HG21 ILE 18 HG21 ILE 18 0.681 3.072 -12.736 147 HG22 ILE 18 HG22 ILE 18 1.365 2.970 -11.114 148 HG23 ILE 18 HG23 ILE 18 -0.378 2.836 -11.346 149 HD11 ILE 18 HD11 ILE 18 2.917 4.525 -10.046 150 HD12 ILE 18 HD12 ILE 18 3.206 6.260 -10.188 151 HD13 ILE 18 HD13 ILE 18 1.725 5.671 -9.434 152 H GLN 19 H GLN 19 -1.168 3.341 -13.980 153 HA GLN 19 HA GLN 19 -3.872 3.249 -12.815 154 HB2 GLN 19 HB2 GLN 19 -2.965 3.062 -15.638 155 HB3 GLN 19 HB3 GLN 19 -4.285 2.007 -15.150 156 HG2 GLN 19 HG2 GLN 19 -4.645 4.481 -16.092 157 HG3 GLN 19 HG3 GLN 19 -5.752 3.699 -14.965 158 HE21 GLN 19 HE21 GLN 19 -3.211 6.055 -15.322 159 HE22 GLN 19 HE22 GLN 19 -3.480 6.867 -13.821 160 H GLN 20 H GLN 20 -4.002 1.564 -11.495 161 HA GLN 20 HA GLN 20 -2.276 -0.718 -11.758 162 HB2 GLN 20 HB2 GLN 20 -4.652 -0.422 -9.920 163 HB3 GLN 20 HB3 GLN 20 -3.281 -1.508 -9.730 164 HG2 GLN 20 HG2 GLN 20 -1.812 0.308 -9.263 165 HG3 GLN 20 HG3 GLN 20 -3.050 1.489 -9.688 166 HE21 GLN 20 HE21 GLN 20 -3.014 -1.409 -7.640 167 HE22 GLN 20 HE22 GLN 20 -3.620 -0.626 -6.225 168 H GLU 21 H GLU 21 -3.878 -2.836 -11.023 169 HA GLU 21 HA GLU 21 -4.716 -3.907 -13.401 170 HB2 GLU 21 HB2 GLU 21 -5.906 -5.584 -12.121 171 HB3 GLU 21 HB3 GLU 21 -4.396 -5.190 -11.311 172 HG2 GLU 21 HG2 GLU 21 -5.879 -3.525 -9.964 173 HG3 GLU 21 HG3 GLU 21 -7.195 -4.563 -10.508 174 H GLU 22 H GLU 22 -6.514 -1.851 -11.206 175 HA GLU 22 HA GLU 22 -8.860 -2.023 -12.970 176 HB2 GLU 22 HB2 GLU 22 -8.747 -0.789 -10.218 177 HB3 GLU 22 HB3 GLU 22 -10.180 -1.199 -11.150 178 HG2 GLU 22 HG2 GLU 22 -9.259 -3.619 -11.021 179 HG3 GLU 22 HG3 GLU 22 -8.309 -2.993 -9.675 180 H GLY 23 H GLY 23 -6.328 0.047 -11.892 181 HA2 GLY 23 HA2 GLY 23 -5.703 2.150 -12.574 182 HA3 GLY 23 HA3 GLY 23 -6.902 2.011 -13.852 183 HA PRO 24 HA PRO 24 -9.217 3.840 -10.013 184 HB2 PRO 24 HB2 PRO 24 -7.665 4.615 -7.925 185 HB3 PRO 24 HB3 PRO 24 -8.360 2.995 -8.056 186 HG2 PRO 24 HG2 PRO 24 -5.592 3.928 -8.713 187 HG3 PRO 24 HG3 PRO 24 -6.105 2.455 -7.869 188 HD2 PRO 24 HD2 PRO 24 -5.386 2.463 -10.479 189 HD3 PRO 24 HD3 PRO 24 -6.615 1.358 -9.831 190 H ASP 25 H ASP 25 -6.380 5.533 -8.940 191 HA ASP 25 HA ASP 25 -6.029 7.501 -10.816 192 HB2 ASP 25 HB2 ASP 25 -7.433 9.357 -9.618 193 HB3 ASP 25 HB3 ASP 25 -8.203 8.307 -10.804 194 H VAL 26 H VAL 26 -3.968 7.522 -10.019 195 HA VAL 26 HA VAL 26 -3.623 8.582 -7.289 196 HB VAL 26 HB VAL 26 -2.694 6.202 -8.058 197 HG11 VAL 26 HG11 VAL 26 -1.356 7.478 -9.871 198 HG12 VAL 26 HG12 VAL 26 -0.266 7.883 -8.543 199 HG13 VAL 26 HG13 VAL 26 -0.560 6.195 -8.962 200 HG21 VAL 26 HG21 VAL 26 -2.530 7.141 -5.816 201 HG22 VAL 26 HG22 VAL 26 -1.005 6.397 -6.294 202 HG23 VAL 26 HG23 VAL 26 -1.177 8.152 -6.325 203 H PHE 27 H PHE 27 -2.129 10.219 -6.949 204 HA PHE 27 HA PHE 27 -1.364 11.690 -9.368 205 HB2 PHE 27 HB2 PHE 27 -2.706 12.625 -7.258 206 HB3 PHE 27 HB3 PHE 27 -1.071 12.900 -6.664 207 HD1 PHE 27 HD1 PHE 27 0.405 13.711 -8.996 208 HD2 PHE 27 HD2 PHE 27 -3.592 14.653 -7.877 209 HE1 PHE 27 HE1 PHE 27 0.532 15.790 -10.307 210 HE2 PHE 27 HE2 PHE 27 -3.472 16.733 -9.187 211 HZ PHE 27 HZ PHE 27 -1.409 17.303 -10.404 212 H VAL 28 H VAL 28 0.658 11.508 -10.043 213 HA VAL 28 HA VAL 28 2.794 11.189 -8.039 214 HB VAL 28 HB VAL 28 3.869 9.532 -9.217 215 HG11 VAL 28 HG11 VAL 28 1.313 9.043 -8.581 216 HG12 VAL 28 HG12 VAL 28 1.253 8.699 -10.311 217 HG13 VAL 28 HG13 VAL 28 2.383 7.825 -9.275 218 HG21 VAL 28 HG21 VAL 28 4.097 10.619 -11.329 219 HG22 VAL 28 HG22 VAL 28 3.394 9.029 -11.626 220 HG23 VAL 28 HG23 VAL 28 2.371 10.465 -11.660 221 H HIS 29 H HIS 29 4.673 12.316 -8.386 222 HA HIS 29 HA HIS 29 4.662 14.169 -10.678 223 HB2 HIS 29 HB2 HIS 29 5.993 14.685 -8.019 224 HB3 HIS 29 HB3 HIS 29 5.693 15.837 -9.317 225 HD1 HIS 29 HD1 HIS 29 4.696 16.126 -6.318 226 HD2 HIS 29 HD2 HIS 29 2.417 14.857 -9.552 227 HE1 HIS 29 HE1 HIS 29 2.308 16.593 -5.683 228 H PHE 30 H PHE 30 6.754 14.808 -11.507 229 HA PHE 30 HA PHE 30 8.438 12.669 -12.067 230 HB2 PHE 30 HB2 PHE 30 9.794 14.189 -13.228 231 HB3 PHE 30 HB3 PHE 30 8.201 14.938 -13.271 232 HD1 PHE 30 HD2 PHE 30 7.687 16.751 -11.574 233 HD2 PHE 30 HD1 PHE 30 11.623 15.316 -12.327 234 HE1 PHE 30 HE2 PHE 30 8.621 18.794 -10.570 235 HE2 PHE 30 HE1 PHE 30 12.563 17.357 -11.323 236 HZ PHE 30 HZ PHE 30 11.061 19.100 -10.445 237 H THR 31 H THR 31 8.388 14.806 -9.357 238 HA THR 31 HA THR 31 11.066 14.022 -8.499 239 HB THR 31 HB THR 31 9.244 15.729 -6.843 240 HG1 THR 31 HG1 THR 31 9.788 17.515 -8.079 241 HG21 THR 31 HG21 THR 31 11.790 14.865 -6.473 242 HG22 THR 31 HG22 THR 31 11.135 16.347 -5.776 243 HG23 THR 31 HG23 THR 31 12.075 16.413 -7.267 244 H ALA 32 H ALA 32 8.613 12.228 -8.584 245 HA ALA 32 HA ALA 32 8.713 11.370 -5.764 246 HB1 ALA 32 HB1 ALA 32 6.501 12.103 -6.149 247 HB2 ALA 32 HB2 ALA 32 6.421 11.284 -7.710 248 HB3 ALA 32 HB3 ALA 32 6.449 10.341 -6.219 249 H ILE 33 H ILE 33 9.750 10.643 -8.790 250 HA ILE 33 HA ILE 33 9.382 7.760 -8.615 251 HB ILE 33 HB ILE 33 10.751 9.472 -10.691 252 HG12 ILE 33 HG12 ILE 33 8.774 8.349 -12.033 253 HG13 ILE 33 HG13 ILE 33 8.057 8.197 -10.433 254 HG21 ILE 33 HG21 ILE 33 10.694 6.545 -10.278 255 HG22 ILE 33 HG22 ILE 33 10.450 7.121 -11.927 256 HG23 ILE 33 HG23 ILE 33 11.914 7.561 -11.047 257 HD11 ILE 33 HD11 ILE 33 7.298 10.258 -10.675 258 HD12 ILE 33 HD12 ILE 33 8.965 10.826 -10.580 259 HD13 ILE 33 HD13 ILE 33 8.236 10.490 -12.150 260 H GLU 34 H GLU 34 10.833 6.396 -7.801 261 HA GLU 34 HA GLU 34 13.446 7.463 -7.008 262 HB2 GLU 34 HB2 GLU 34 12.048 4.927 -6.136 263 HB3 GLU 34 HB3 GLU 34 13.574 5.528 -5.502 264 HG2 GLU 34 HG2 GLU 34 11.340 7.425 -5.362 265 HG3 GLU 34 HG3 GLU 34 11.159 5.974 -4.377 266 H ALA 35 H ALA 35 14.432 7.321 -9.064 267 HA ALA 35 HA ALA 35 15.026 4.563 -9.921 268 HB1 ALA 35 HB1 ALA 35 13.809 5.432 -11.699 269 HB2 ALA 35 HB2 ALA 35 14.531 7.033 -11.540 270 HB3 ALA 35 HB3 ALA 35 15.482 5.698 -12.190 271 H ASP 36 H ASP 36 17.141 4.388 -11.109 272 HA ASP 36 HA ASP 36 19.193 5.682 -9.522 273 HB2 ASP 36 HB2 ASP 36 19.079 3.353 -11.378 274 HB3 ASP 36 HB3 ASP 36 20.634 4.149 -11.155 275 H GLY 37 H GLY 37 18.700 7.828 -10.453 276 HA2 GLY 37 HA2 GLY 37 20.285 9.275 -11.723 277 HA3 GLY 37 HA3 GLY 37 20.030 8.176 -13.070 278 H PHE 38 H PHE 38 18.686 8.895 -14.568 279 HA PHE 38 HA PHE 38 17.127 11.234 -14.212 280 HB2 PHE 38 HB2 PHE 38 17.448 9.217 -16.401 281 HB3 PHE 38 HB3 PHE 38 16.123 10.374 -16.486 282 HD1 PHE 38 HD2 PHE 38 16.594 12.786 -16.634 283 HD2 PHE 38 HD1 PHE 38 19.696 9.875 -16.795 284 HE1 PHE 38 HE2 PHE 38 18.124 14.472 -17.569 285 HE2 PHE 38 HE1 PHE 38 21.230 11.556 -17.729 286 HZ PHE 38 HZ PHE 38 20.445 13.858 -18.117 287 H ARG 39 H ARG 39 15.375 11.292 -12.968 288 HA ARG 39 HA ARG 39 13.758 8.977 -12.470 289 HB2 ARG 39 HB2 ARG 39 13.055 11.824 -11.771 290 HB3 ARG 39 HB3 ARG 39 12.521 10.350 -10.975 291 HG2 ARG 39 HG2 ARG 39 14.804 9.955 -10.185 292 HG3 ARG 39 HG3 ARG 39 15.325 11.447 -10.970 293 HD2 ARG 39 HD2 ARG 39 13.146 11.360 -8.898 294 HD3 ARG 39 HD3 ARG 39 14.845 11.592 -8.490 295 HE ARG 39 HE ARG 39 13.065 13.514 -9.691 296 HH11 ARG 39 HH11 ARG 39 16.379 12.581 -9.176 297 HH12 ARG 39 HH12 ARG 39 17.003 14.180 -9.410 298 HH21 ARG 39 HH21 ARG 39 13.874 15.624 -10.002 299 HH22 ARG 39 HH22 ARG 39 15.577 15.911 -9.879 300 H THR 40 H THR 40 12.236 8.244 -13.782 301 HA THR 40 HA THR 40 10.145 9.799 -14.816 302 HB THR 40 HB THR 40 11.633 10.755 -16.403 303 HG1 THR 40 HG1 THR 40 10.403 10.301 -18.085 304 HG21 THR 40 HG21 THR 40 12.833 9.039 -18.002 305 HG22 THR 40 HG22 THR 40 12.715 7.982 -16.595 306 HG23 THR 40 HG23 THR 40 13.570 9.519 -16.475 307 H LEU 41 H LEU 41 8.602 8.557 -16.004 308 HA LEU 41 HA LEU 41 9.027 5.657 -15.737 309 HB2 LEU 41 HB2 LEU 41 6.775 7.432 -15.154 310 HB3 LEU 41 HB3 LEU 41 6.329 5.984 -16.055 311 HG LEU 41 HG LEU 41 7.089 4.562 -14.308 312 HD11 LEU 41 HD11 LEU 41 7.890 6.027 -12.168 313 HD12 LEU 41 HD12 LEU 41 8.598 6.941 -13.499 314 HD13 LEU 41 HD13 LEU 41 8.978 5.230 -13.304 315 HD21 LEU 41 HD21 LEU 41 5.422 6.891 -13.453 316 HD22 LEU 41 HD22 LEU 41 5.846 5.634 -12.291 317 HD23 LEU 41 HD23 LEU 41 4.946 5.219 -13.750 318 H ASN 42 H ASN 42 7.614 4.359 -17.298 319 HA ASN 42 HA ASN 42 7.709 5.610 -19.964 320 HB2 ASN 42 HB2 ASN 42 8.495 2.836 -19.093 321 HB3 ASN 42 HB3 ASN 42 8.103 3.199 -20.771 322 HD21 ASN 42 HD21 ASN 42 10.433 3.418 -18.284 323 HD22 ASN 42 HD22 ASN 42 11.670 4.204 -19.199 324 H GLU 43 H GLU 43 5.846 5.658 -21.037 325 HA GLU 43 HA GLU 43 3.428 4.793 -19.941 326 HB2 GLU 43 HB2 GLU 43 3.495 6.566 -21.587 327 HB3 GLU 43 HB3 GLU 43 4.133 5.466 -22.801 328 HG2 GLU 43 HG2 GLU 43 2.006 4.156 -22.592 329 HG3 GLU 43 HG3 GLU 43 1.384 5.466 -21.589 330 H GLY 44 H GLY 44 2.727 2.788 -19.652 331 HA2 GLY 44 HA2 GLY 44 1.903 0.734 -20.531 332 HA3 GLY 44 HA3 GLY 44 3.097 0.840 -21.816 333 H GLU 45 H GLU 45 4.505 1.640 -18.891 334 HA GLU 45 HA GLU 45 5.645 -1.061 -18.667 335 HB2 GLU 45 HB2 GLU 45 7.235 0.760 -19.173 336 HB3 GLU 45 HB3 GLU 45 6.760 1.573 -17.688 337 HG2 GLU 45 HG2 GLU 45 7.748 -0.065 -16.340 338 HG3 GLU 45 HG3 GLU 45 7.871 -1.210 -17.675 339 H HIS 46 H HIS 46 6.177 -1.844 -16.510 340 HA HIS 46 HA HIS 46 4.024 -1.259 -14.647 341 HB2 HIS 46 HB2 HIS 46 6.197 -3.297 -14.219 342 HB3 HIS 46 HB3 HIS 46 4.554 -3.294 -13.585 343 HD1 HIS 46 HD1 HIS 46 2.783 -4.443 -14.958 344 HD2 HIS 46 HD2 HIS 46 6.374 -4.008 -17.002 345 HE1 HIS 46 HE1 HIS 46 2.527 -5.795 -17.063 346 H VAL 47 H VAL 47 4.266 -0.449 -12.600 347 HA VAL 47 HA VAL 47 6.868 0.037 -11.465 348 HB VAL 47 HB VAL 47 6.355 2.539 -11.215 349 HG11 VAL 47 HG11 VAL 47 6.953 2.052 -14.061 350 HG12 VAL 47 HG12 VAL 47 7.868 2.942 -12.842 351 HG13 VAL 47 HG13 VAL 47 7.955 1.181 -12.900 352 HG21 VAL 47 HG21 VAL 47 4.812 3.569 -12.542 353 HG22 VAL 47 HG22 VAL 47 4.906 2.338 -13.801 354 HG23 VAL 47 HG23 VAL 47 4.004 2.017 -12.320 355 H GLU 48 H GLU 48 6.786 0.296 -9.278 356 HA GLU 48 HA GLU 48 4.136 0.062 -8.058 357 HB2 GLU 48 HB2 GLU 48 5.572 -1.659 -7.318 358 HB3 GLU 48 HB3 GLU 48 6.919 -0.552 -7.093 359 HG2 GLU 48 HG2 GLU 48 5.874 0.429 -5.175 360 HG3 GLU 48 HG3 GLU 48 4.403 -0.502 -5.448 361 H PHE 49 H PHE 49 3.220 1.695 -7.009 362 HA PHE 49 HA PHE 49 4.925 3.945 -6.161 363 HB2 PHE 49 HB2 PHE 49 2.977 5.425 -6.607 364 HB3 PHE 49 HB3 PHE 49 3.585 4.633 -8.057 365 HD1 PHE 49 HD1 PHE 49 2.356 2.626 -8.944 366 HD2 PHE 49 HD2 PHE 49 0.754 5.159 -5.922 367 HE1 PHE 49 HE1 PHE 49 0.102 1.760 -9.418 368 HE2 PHE 49 HE2 PHE 49 -1.502 4.297 -6.391 369 HZ PHE 49 HZ PHE 49 -1.830 2.595 -8.140 370 H GLU 50 H GLU 50 4.427 4.966 -4.215 371 HA GLU 50 HA GLU 50 2.686 3.395 -2.438 372 HB2 GLU 50 HB2 GLU 50 5.167 5.014 -1.955 373 HB3 GLU 50 HB3 GLU 50 4.049 4.689 -0.638 374 HG2 GLU 50 HG2 GLU 50 4.314 2.207 -1.510 375 HG3 GLU 50 HG3 GLU 50 5.847 2.844 -2.104 376 H VAL 51 H VAL 51 0.718 4.347 -2.610 377 HA VAL 51 HA VAL 51 0.264 7.118 -2.881 378 HB VAL 51 HB VAL 51 -2.069 6.637 -2.362 379 HG11 VAL 51 HG11 VAL 51 -2.379 5.751 -4.387 380 HG12 VAL 51 HG12 VAL 51 -0.621 5.627 -4.482 381 HG13 VAL 51 HG13 VAL 51 -1.575 4.246 -3.939 382 HG21 VAL 51 HG21 VAL 51 -2.679 4.227 -1.862 383 HG22 VAL 51 HG22 VAL 51 -0.980 3.983 -1.456 384 HG23 VAL 51 HG23 VAL 51 -1.949 5.139 -0.541 385 H GLU 52 H GLU 52 0.339 8.707 -1.438 386 HA GLU 52 HA GLU 52 0.319 7.997 1.421 387 HB2 GLU 52 HB2 GLU 52 1.931 9.935 -0.156 388 HB3 GLU 52 HB3 GLU 52 1.466 10.411 1.471 389 HG2 GLU 52 HG2 GLU 52 3.043 7.975 0.682 390 HG3 GLU 52 HG3 GLU 52 3.639 9.403 1.526 391 HA PRO 53 HA PRO 53 -3.193 10.528 2.126 392 HB2 PRO 53 HB2 PRO 53 -2.621 11.642 4.535 393 HB3 PRO 53 HB3 PRO 53 -3.047 9.938 4.342 394 HG2 PRO 53 HG2 PRO 53 -0.345 11.193 4.635 395 HG3 PRO 53 HG3 PRO 53 -0.984 9.723 5.393 396 HD2 PRO 53 HD2 PRO 53 0.654 9.656 3.239 397 HD3 PRO 53 HD3 PRO 53 -0.609 8.439 3.516 398 H GLY 54 H GLY 54 -1.139 12.659 3.957 399 HA2 GLY 54 HA2 GLY 54 -1.982 14.916 2.388 400 HA3 GLY 54 HA3 GLY 54 -0.924 14.956 3.790 401 H ARG 55 H ARG 55 -0.778 13.549 0.513 402 HA ARG 55 HA ARG 55 1.770 14.961 0.122 403 HB2 ARG 55 HB2 ARG 55 1.604 12.243 0.557 404 HB3 ARG 55 HB3 ARG 55 1.636 12.353 -1.197 405 HG2 ARG 55 HG2 ARG 55 3.873 12.126 -0.544 406 HG3 ARG 55 HG3 ARG 55 3.672 13.838 -0.923 407 HD2 ARG 55 HD2 ARG 55 4.946 13.564 1.126 408 HD3 ARG 55 HD3 ARG 55 3.392 14.324 1.463 409 HE ARG 55 HE ARG 55 3.349 11.475 1.782 410 HH11 ARG 55 HH11 ARG 55 4.117 14.500 3.324 411 HH12 ARG 55 HH12 ARG 55 3.915 13.882 4.930 412 HH21 ARG 55 HH21 ARG 55 3.080 10.650 3.891 413 HH22 ARG 55 HH22 ARG 55 3.326 11.692 5.252 414 H GLY 56 H GLY 56 -0.957 13.269 -1.374 415 HA2 GLY 56 HA2 GLY 56 -0.349 14.508 -3.954 416 HA3 GLY 56 HA3 GLY 56 -1.559 13.268 -3.658 417 H GLY 57 H GLY 57 -1.549 16.062 -4.924 418 HA2 GLY 57 HA2 GLY 57 -2.969 17.914 -3.478 419 HA3 GLY 57 HA3 GLY 57 -3.163 17.676 -5.208 420 H LYS 58 H LYS 58 -4.230 15.043 -5.101 421 HA LYS 58 HA LYS 58 -6.945 15.706 -4.267 422 HB2 LYS 58 HB2 LYS 58 -5.719 13.800 -6.188 423 HB3 LYS 58 HB3 LYS 58 -7.241 13.319 -5.449 424 HG2 LYS 58 HG2 LYS 58 -8.144 14.417 -7.179 425 HG3 LYS 58 HG3 LYS 58 -7.830 15.848 -6.194 426 HD2 LYS 58 HD2 LYS 58 -6.842 16.500 -8.150 427 HD3 LYS 58 HD3 LYS 58 -5.469 15.704 -7.376 428 HE2 LYS 58 HE2 LYS 58 -5.452 14.011 -8.864 429 HE3 LYS 58 HE3 LYS 58 -7.210 13.942 -8.960 430 HZ1 LYS 58 HZ1 LYS 58 -5.396 15.149 -10.744 431 HZ2 LYS 58 HZ2 LYS 58 -6.424 16.339 -10.121 432 HZ3 LYS 58 HZ3 LYS 58 -7.073 14.981 -10.893 433 H GLY 59 H GLY 59 -4.284 13.744 -3.308 434 HA2 GLY 59 HA2 GLY 59 -4.882 13.135 -0.809 435 HA3 GLY 59 HA3 GLY 59 -5.955 12.020 -1.642 436 HA PRO 60 HA PRO 60 -2.687 9.088 -1.693 437 HB2 PRO 60 HB2 PRO 60 -3.489 7.550 -3.781 438 HB3 PRO 60 HB3 PRO 60 -4.290 7.524 -2.205 439 HG2 PRO 60 HG2 PRO 60 -5.080 8.962 -4.709 440 HG3 PRO 60 HG3 PRO 60 -6.095 8.059 -3.570 441 HD2 PRO 60 HD2 PRO 60 -5.934 10.762 -3.551 442 HD3 PRO 60 HD3 PRO 60 -6.194 9.811 -2.075 443 H GLN 61 H GLN 61 -0.713 9.725 -2.317 444 HA GLN 61 HA GLN 61 -0.272 10.266 -5.180 445 HB2 GLN 61 HB2 GLN 61 0.240 12.320 -4.320 446 HB3 GLN 61 HB3 GLN 61 0.672 11.673 -2.743 447 HG2 GLN 61 HG2 GLN 61 2.803 10.929 -3.581 448 HG3 GLN 61 HG3 GLN 61 2.369 11.426 -5.215 449 HE21 GLN 61 HE21 GLN 61 4.378 12.235 -2.965 450 HE22 GLN 61 HE22 GLN 61 4.346 13.961 -3.044 451 H ALA 62 H ALA 62 1.828 9.679 -6.023 452 HA ALA 62 HA ALA 62 2.680 7.114 -5.052 453 HB1 ALA 62 HB1 ALA 62 3.460 8.831 -7.381 454 HB2 ALA 62 HB2 ALA 62 4.367 7.375 -6.972 455 HB3 ALA 62 HB3 ALA 62 2.655 7.261 -7.377 456 H LYS 63 H LYS 63 3.212 8.489 -2.941 457 HA LYS 63 HA LYS 63 5.377 10.073 -2.579 458 HB2 LYS 63 HB2 LYS 63 4.159 9.532 -0.651 459 HB3 LYS 63 HB3 LYS 63 4.322 7.802 -0.920 460 HG2 LYS 63 HG2 LYS 63 5.676 8.568 0.962 461 HG3 LYS 63 HG3 LYS 63 6.672 7.904 -0.335 462 HD2 LYS 63 HD2 LYS 63 7.721 9.904 0.469 463 HD3 LYS 63 HD3 LYS 63 7.060 10.235 -1.134 464 HE2 LYS 63 HE2 LYS 63 6.097 12.021 -0.203 465 HE3 LYS 63 HE3 LYS 63 4.980 10.884 0.550 466 HZ1 LYS 63 HZ1 LYS 63 6.622 12.618 1.857 467 HZ2 LYS 63 HZ2 LYS 63 7.432 11.140 2.003 468 HZ3 LYS 63 HZ3 LYS 63 5.837 11.287 2.547 469 H LYS 64 H LYS 64 5.445 6.554 -2.987 470 HA LYS 64 HA LYS 64 8.318 6.767 -3.591 471 HB2 LYS 64 HB2 LYS 64 7.000 4.503 -2.080 472 HB3 LYS 64 HB3 LYS 64 8.704 4.613 -2.504 473 HG2 LYS 64 HG2 LYS 64 8.329 6.942 -1.147 474 HG3 LYS 64 HG3 LYS 64 7.223 5.852 -0.307 475 HD2 LYS 64 HD2 LYS 64 9.100 5.367 0.871 476 HD3 LYS 64 HD3 LYS 64 9.361 4.250 -0.471 477 HE2 LYS 64 HE2 LYS 64 11.404 5.362 -0.241 478 HE3 LYS 64 HE3 LYS 64 10.615 6.179 -1.589 479 HZ1 LYS 64 HZ1 LYS 64 10.032 7.989 -0.202 480 HZ2 LYS 64 HZ2 LYS 64 11.668 7.674 0.088 481 HZ3 LYS 64 HZ3 LYS 64 10.500 7.171 1.203 482 H VAL 65 H VAL 65 8.467 6.414 -5.711 483 HA VAL 65 HA VAL 65 6.818 4.284 -6.903 484 HB VAL 65 HB VAL 65 7.556 6.943 -7.823 485 HG11 VAL 65 HG11 VAL 65 9.214 5.841 -9.155 486 HG12 VAL 65 HG12 VAL 65 8.059 4.605 -9.657 487 HG13 VAL 65 HG13 VAL 65 7.862 6.271 -10.202 488 HG21 VAL 65 HG21 VAL 65 5.271 5.744 -7.598 489 HG22 VAL 65 HG22 VAL 65 5.547 6.809 -8.976 490 HG23 VAL 65 HG23 VAL 65 5.663 5.061 -9.176 491 H ARG 66 H ARG 66 7.757 2.683 -8.116 492 HA ARG 66 HA ARG 66 10.689 2.696 -8.331 493 HB2 ARG 66 HB2 ARG 66 8.928 0.688 -7.023 494 HB3 ARG 66 HB3 ARG 66 10.292 0.082 -7.953 495 HG2 ARG 66 HG2 ARG 66 11.583 1.911 -6.529 496 HG3 ARG 66 HG3 ARG 66 10.248 1.605 -5.416 497 HD2 ARG 66 HD2 ARG 66 11.814 0.052 -4.730 498 HD3 ARG 66 HD3 ARG 66 10.815 -0.893 -5.834 499 HE ARG 66 HE ARG 66 12.864 0.161 -7.355 500 HH11 ARG 66 HH11 ARG 66 12.552 -1.959 -4.611 501 HH12 ARG 66 HH12 ARG 66 13.985 -2.860 -4.979 502 HH21 ARG 66 HH21 ARG 66 14.753 -1.019 -7.851 503 HH22 ARG 66 HH22 ARG 66 15.236 -2.324 -6.822 504 H ARG 67 H ARG 67 11.543 1.730 -10.147 505 HA ARG 67 HA ARG 67 9.757 1.474 -12.384 506 HB2 ARG 67 HB2 ARG 67 12.693 0.799 -12.382 507 HB3 ARG 67 HB3 ARG 67 11.700 1.334 -13.732 508 HG2 ARG 67 HG2 ARG 67 11.414 3.467 -12.181 509 HG3 ARG 67 HG3 ARG 67 12.969 2.903 -11.566 510 HD2 ARG 67 HD2 ARG 67 12.627 3.005 -14.507 511 HD3 ARG 67 HD3 ARG 67 12.750 4.545 -13.658 512 HE ARG 67 HE ARG 67 14.955 4.064 -13.136 513 HH11 ARG 67 HH11 ARG 67 13.423 1.326 -14.646 514 HH12 ARG 67 HH12 ARG 67 14.910 0.479 -14.917 515 HH21 ARG 67 HH21 ARG 67 16.919 2.958 -13.487 516 HH22 ARG 67 HH22 ARG 67 16.898 1.408 -14.257 517 H ILE 68 H ILE 68 9.073 -0.338 -13.390 518 HA ILE 68 HA ILE 68 10.203 -2.920 -12.596 519 HB ILE 68 HB ILE 68 7.221 -2.511 -12.701 520 HG12 ILE 68 HG12 ILE 68 8.327 -1.169 -10.865 521 HG13 ILE 68 HG13 ILE 68 7.155 -2.364 -10.319 522 HG21 ILE 68 HG21 ILE 68 9.027 -4.740 -11.807 523 HG22 ILE 68 HG22 ILE 68 7.327 -4.656 -11.345 524 HG23 ILE 68 HG23 ILE 68 7.773 -4.773 -13.047 525 HD11 ILE 68 HD11 ILE 68 10.012 -3.157 -10.450 526 HD12 ILE 68 HD12 ILE 68 9.488 -2.086 -9.149 527 HD13 ILE 68 HD13 ILE 68 8.740 -3.671 -9.342 Start of MODEL 5 1 H1 MET 1 H MET 1 0.242 1.844 -0.588 2 HA MET 1 HA MET 1 2.750 0.715 -1.588 3 HB2 MET 1 HB2 MET 1 0.718 -0.395 0.356 4 HB3 MET 1 HB3 MET 1 2.210 -1.201 -0.109 5 HG2 MET 1 HG2 MET 1 2.972 -0.240 1.772 6 HG3 MET 1 HG3 MET 1 3.219 1.136 0.700 7 HE1 MET 1 HE1 MET 1 1.339 1.113 4.526 8 HE2 MET 1 HE2 MET 1 0.374 -0.080 3.658 9 HE3 MET 1 HE3 MET 1 2.134 -0.209 3.670 10 H LYS 2 H LYS 2 1.558 1.001 -3.772 11 HA LYS 2 HA LYS 2 0.330 -1.588 -4.414 12 HB2 LYS 2 HB2 LYS 2 -0.643 1.117 -5.347 13 HB3 LYS 2 HB3 LYS 2 -1.192 -0.416 -6.010 14 HG2 LYS 2 HG2 LYS 2 -1.476 0.377 -3.121 15 HG3 LYS 2 HG3 LYS 2 -2.733 0.580 -4.343 16 HD2 LYS 2 HD2 LYS 2 -2.298 -1.977 -4.756 17 HD3 LYS 2 HD3 LYS 2 -1.657 -1.917 -3.113 18 HE2 LYS 2 HE2 LYS 2 -4.421 -1.099 -4.001 19 HE3 LYS 2 HE3 LYS 2 -3.999 -2.538 -3.074 20 HZ1 LYS 2 HZ1 LYS 2 -3.097 -0.960 -1.356 21 HZ2 LYS 2 HZ2 LYS 2 -4.779 -0.966 -1.532 22 HZ3 LYS 2 HZ3 LYS 2 -3.863 0.289 -2.202 23 H LYS 3 H LYS 3 0.560 -2.228 -6.645 24 HA LYS 3 HA LYS 3 2.701 -0.808 -8.082 25 HB2 LYS 3 HB2 LYS 3 2.485 -3.808 -8.085 26 HB3 LYS 3 HB3 LYS 3 3.848 -2.806 -8.568 27 HG2 LYS 3 HG2 LYS 3 4.259 -2.199 -6.261 28 HG3 LYS 3 HG3 LYS 3 2.843 -3.118 -5.745 29 HD2 LYS 3 HD2 LYS 3 4.392 -4.727 -5.374 30 HD3 LYS 3 HD3 LYS 3 4.155 -5.032 -7.096 31 HE2 LYS 3 HE2 LYS 3 6.228 -3.105 -6.093 32 HE3 LYS 3 HE3 LYS 3 6.558 -4.830 -6.245 33 HZ1 LYS 3 HZ1 LYS 3 5.857 -2.922 -8.400 34 HZ2 LYS 3 HZ2 LYS 3 5.823 -4.599 -8.618 35 HZ3 LYS 3 HZ3 LYS 3 7.278 -3.826 -8.234 36 H GLY 4 H GLY 4 2.425 -0.578 -10.243 37 HA2 GLY 4 HA2 GLY 4 0.765 -2.252 -11.828 38 HA3 GLY 4 HA3 GLY 4 -0.092 -0.781 -11.394 39 H THR 5 H THR 5 0.251 -1.190 -13.998 40 HA THR 5 HA THR 5 2.693 0.022 -14.952 41 HB THR 5 HB THR 5 1.608 -0.144 -17.198 42 HG1 THR 5 HG1 THR 5 -0.594 -0.090 -16.124 43 HG21 THR 5 HG21 THR 5 1.340 -2.795 -15.827 44 HG22 THR 5 HG22 THR 5 2.917 -2.017 -15.963 45 HG23 THR 5 HG23 THR 5 2.006 -2.424 -17.417 46 H VAL 6 H VAL 6 2.832 1.993 -16.098 47 HA VAL 6 HA VAL 6 0.943 4.004 -15.153 48 HB VAL 6 HB VAL 6 3.612 4.111 -15.227 49 HG11 VAL 6 HG11 VAL 6 3.658 3.925 -17.695 50 HG12 VAL 6 HG12 VAL 6 2.796 5.462 -17.797 51 HG13 VAL 6 HG13 VAL 6 4.414 5.402 -17.098 52 HG21 VAL 6 HG21 VAL 6 2.892 6.760 -15.745 53 HG22 VAL 6 HG22 VAL 6 1.458 6.015 -15.038 54 HG23 VAL 6 HG23 VAL 6 2.994 5.970 -14.172 55 H LYS 7 H LYS 7 -0.160 5.427 -16.501 56 HA LYS 7 HA LYS 7 -0.592 4.420 -19.219 57 HB2 LYS 7 HB2 LYS 7 -2.453 4.894 -17.425 58 HB3 LYS 7 HB3 LYS 7 -2.270 6.558 -17.964 59 HG2 LYS 7 HG2 LYS 7 -2.719 4.360 -19.941 60 HG3 LYS 7 HG3 LYS 7 -4.070 5.076 -19.058 61 HD2 LYS 7 HD2 LYS 7 -4.015 6.947 -20.288 62 HD3 LYS 7 HD3 LYS 7 -2.256 7.061 -20.191 63 HE2 LYS 7 HE2 LYS 7 -3.840 5.312 -22.071 64 HE3 LYS 7 HE3 LYS 7 -2.970 6.785 -22.498 65 HZ1 LYS 7 HZ1 LYS 7 -1.349 5.341 -23.010 66 HZ2 LYS 7 HZ2 LYS 7 -1.960 4.111 -22.023 67 HZ3 LYS 7 HZ3 LYS 7 -1.033 5.355 -21.348 68 H TRP 8 H TRP 8 0.379 7.284 -17.441 69 HA TRP 8 HA TRP 8 1.770 8.345 -19.681 70 HB2 TRP 8 HB2 TRP 8 0.464 10.157 -20.315 71 HB3 TRP 8 HB3 TRP 8 -0.754 8.913 -20.049 72 HD1 TRP 8 HD1 TRP 8 0.691 12.066 -18.373 73 HE1 TRP 8 HE1 TRP 8 -1.071 12.990 -16.739 74 HE3 TRP 8 HE3 TRP 8 -2.769 8.317 -18.704 75 HZ2 TRP 8 HZ2 TRP 8 -3.593 12.229 -15.725 76 HZ3 TRP 8 HZ3 TRP 8 -4.828 8.491 -17.369 77 HH2 TRP 8 HH2 TRP 8 -5.230 10.407 -15.910 78 H PHE 9 H PHE 9 3.293 9.804 -19.053 79 HA PHE 9 HA PHE 9 3.083 10.976 -16.376 80 HB2 PHE 9 HB2 PHE 9 4.399 9.027 -15.964 81 HB3 PHE 9 HB3 PHE 9 5.375 9.303 -17.403 82 HD1 PHE 9 HD1 PHE 9 4.622 10.583 -14.020 83 HD2 PHE 9 HD2 PHE 9 7.296 10.658 -17.331 84 HE1 PHE 9 HE1 PHE 9 6.261 11.819 -12.664 85 HE2 PHE 9 HE2 PHE 9 8.939 11.894 -15.980 86 HZ PHE 9 HZ PHE 9 8.422 12.477 -13.644 87 H ASN 10 H ASN 10 2.891 13.052 -17.067 88 HA ASN 10 HA ASN 10 4.390 14.156 -19.214 89 HB2 ASN 10 HB2 ASN 10 2.510 15.182 -17.157 90 HB3 ASN 10 HB3 ASN 10 3.603 16.355 -17.884 91 HD21 ASN 10 HD21 ASN 10 2.300 17.472 -19.186 92 HD22 ASN 10 HD22 ASN 10 1.340 16.792 -20.451 93 H ALA 11 H ALA 11 6.495 14.543 -19.186 94 HA ALA 11 HA ALA 11 7.926 14.850 -16.689 95 HB1 ALA 11 HB1 ALA 11 9.828 14.385 -17.856 96 HB2 ALA 11 HB2 ALA 11 8.644 13.630 -18.924 97 HB3 ALA 11 HB3 ALA 11 9.281 15.230 -19.304 98 H GLU 12 H GLU 12 6.893 16.851 -19.374 99 HA GLU 12 HA GLU 12 8.491 19.107 -18.837 100 HB2 GLU 12 HB2 GLU 12 5.983 18.597 -20.363 101 HB3 GLU 12 HB3 GLU 12 6.390 20.265 -19.986 102 HG2 GLU 12 HG2 GLU 12 8.273 18.369 -21.360 103 HG3 GLU 12 HG3 GLU 12 7.170 19.445 -22.215 104 H LYS 13 H LYS 13 5.152 18.338 -17.877 105 HA LYS 13 HA LYS 13 4.930 20.679 -16.228 106 HB2 LYS 13 HB2 LYS 13 3.157 18.233 -16.349 107 HB3 LYS 13 HB3 LYS 13 2.754 19.764 -15.583 108 HG2 LYS 13 HG2 LYS 13 3.493 19.791 -18.459 109 HG3 LYS 13 HG3 LYS 13 1.911 19.155 -18.004 110 HD2 LYS 13 HD2 LYS 13 1.296 21.322 -18.168 111 HD3 LYS 13 HD3 LYS 13 1.959 21.417 -16.535 112 HE2 LYS 13 HE2 LYS 13 4.202 21.861 -17.864 113 HE3 LYS 13 HE3 LYS 13 3.079 22.400 -19.110 114 HZ1 LYS 13 HZ1 LYS 13 3.832 23.680 -16.663 115 HZ2 LYS 13 HZ2 LYS 13 2.153 23.579 -16.839 116 HZ3 LYS 13 HZ3 LYS 13 3.085 24.331 -18.034 117 H GLY 14 H GLY 14 5.832 17.340 -15.775 118 HA2 GLY 14 HA2 GLY 14 7.084 16.508 -13.979 119 HA3 GLY 14 HA3 GLY 14 6.707 17.965 -13.071 120 H TYR 15 H TYR 15 4.312 15.957 -14.669 121 HA TYR 15 HA TYR 15 3.479 14.860 -12.082 122 HB2 TYR 15 HB2 TYR 15 1.464 16.044 -13.984 123 HB3 TYR 15 HB3 TYR 15 1.228 15.555 -12.309 124 HD1 TYR 15 HD2 TYR 15 2.872 16.854 -10.613 125 HD2 TYR 15 HD1 TYR 15 1.575 18.305 -14.397 126 HE1 TYR 15 HE2 TYR 15 3.314 19.158 -9.874 127 HE2 TYR 15 HE1 TYR 15 2.014 20.613 -13.669 128 HH TYR 15 HH TYR 15 2.719 21.402 -10.386 129 H GLY 16 H GLY 16 1.668 13.206 -12.419 130 HA2 GLY 16 HA2 GLY 16 1.329 11.974 -14.948 131 HA3 GLY 16 HA3 GLY 16 2.583 11.140 -14.043 132 H PHE 17 H PHE 17 0.439 9.696 -14.728 133 HA PHE 17 HA PHE 17 -0.844 9.230 -12.141 134 HB2 PHE 17 HB2 PHE 17 -2.263 9.711 -14.748 135 HB3 PHE 17 HB3 PHE 17 -3.001 8.735 -13.483 136 HD1 PHE 17 HD2 PHE 17 -1.560 12.084 -14.163 137 HD2 PHE 17 HD1 PHE 17 -4.143 9.742 -11.722 138 HE1 PHE 17 HE2 PHE 17 -2.376 14.131 -13.070 139 HE2 PHE 17 HE1 PHE 17 -4.964 11.786 -10.625 140 HZ PHE 17 HZ PHE 17 -4.082 13.984 -11.299 141 H ILE 18 H ILE 18 -0.691 7.164 -11.584 142 HA ILE 18 HA ILE 18 0.026 5.205 -13.642 143 HB ILE 18 HB ILE 18 0.145 4.920 -10.638 144 HG12 ILE 18 HG12 ILE 18 2.548 5.175 -12.406 145 HG13 ILE 18 HG13 ILE 18 1.690 6.628 -11.906 146 HG21 ILE 18 HG21 ILE 18 1.663 3.001 -11.231 147 HG22 ILE 18 HG22 ILE 18 -0.042 2.770 -11.618 148 HG23 ILE 18 HG23 ILE 18 1.104 3.178 -12.895 149 HD11 ILE 18 HD11 ILE 18 3.327 6.433 -10.302 150 HD12 ILE 18 HD12 ILE 18 1.951 5.651 -9.522 151 HD13 ILE 18 HD13 ILE 18 3.221 4.673 -10.257 152 H GLN 19 H GLN 19 -1.005 3.166 -13.756 153 HA GLN 19 HA GLN 19 -3.676 3.074 -12.518 154 HB2 GLN 19 HB2 GLN 19 -3.100 1.871 -15.209 155 HB3 GLN 19 HB3 GLN 19 -4.653 2.296 -14.503 156 HG2 GLN 19 HG2 GLN 19 -2.568 4.135 -15.632 157 HG3 GLN 19 HG3 GLN 19 -4.217 3.876 -16.197 158 HE21 GLN 19 HE21 GLN 19 -2.501 6.183 -15.011 159 HE22 GLN 19 HE22 GLN 19 -3.594 6.932 -13.902 160 H GLN 20 H GLN 20 -3.952 1.380 -11.239 161 HA GLN 20 HA GLN 20 -2.063 -0.819 -11.319 162 HB2 GLN 20 HB2 GLN 20 -3.325 0.456 -9.264 163 HB3 GLN 20 HB3 GLN 20 -4.327 -0.977 -9.444 164 HG2 GLN 20 HG2 GLN 20 -2.064 -2.246 -9.418 165 HG3 GLN 20 HG3 GLN 20 -1.450 -0.765 -8.686 166 HE21 GLN 20 HE21 GLN 20 -3.595 -0.008 -7.150 167 HE22 GLN 20 HE22 GLN 20 -3.849 -1.173 -5.900 168 H GLU 21 H GLU 21 -3.591 -2.926 -10.408 169 HA GLU 21 HA GLU 21 -4.421 -4.205 -12.671 170 HB2 GLU 21 HB2 GLU 21 -5.605 -5.774 -11.254 171 HB3 GLU 21 HB3 GLU 21 -4.101 -5.297 -10.478 172 HG2 GLU 21 HG2 GLU 21 -5.647 -3.516 -9.319 173 HG3 GLU 21 HG3 GLU 21 -6.907 -4.682 -9.721 174 H GLU 22 H GLU 22 -6.274 -2.003 -10.665 175 HA GLU 22 HA GLU 22 -8.600 -2.358 -12.426 176 HB2 GLU 22 HB2 GLU 22 -8.530 -0.869 -9.803 177 HB3 GLU 22 HB3 GLU 22 -9.946 -1.404 -10.697 178 HG2 GLU 22 HG2 GLU 22 -9.040 -3.774 -10.324 179 HG3 GLU 22 HG3 GLU 22 -8.009 -3.033 -9.101 180 H GLY 23 H GLY 23 -6.055 -0.218 -11.638 181 HA2 GLY 23 HA2 GLY 23 -5.482 1.858 -12.431 182 HA3 GLY 23 HA3 GLY 23 -6.618 1.557 -13.737 183 HA PRO 24 HA PRO 24 -9.220 3.663 -10.256 184 HB2 PRO 24 HB2 PRO 24 -7.877 4.528 -8.061 185 HB3 PRO 24 HB3 PRO 24 -8.579 2.911 -8.182 186 HG2 PRO 24 HG2 PRO 24 -5.745 3.782 -8.598 187 HG3 PRO 24 HG3 PRO 24 -6.364 2.359 -7.738 188 HD2 PRO 24 HD2 PRO 24 -5.382 2.226 -10.258 189 HD3 PRO 24 HD3 PRO 24 -6.687 1.168 -9.685 190 H ASP 25 H ASP 25 -6.453 5.367 -9.010 191 HA ASP 25 HA ASP 25 -5.948 7.246 -10.958 192 HB2 ASP 25 HB2 ASP 25 -8.550 7.618 -9.763 193 HB3 ASP 25 HB3 ASP 25 -7.516 9.004 -9.424 194 H VAL 26 H VAL 26 -3.924 7.208 -10.053 195 HA VAL 26 HA VAL 26 -3.665 8.283 -7.323 196 HB VAL 26 HB VAL 26 -2.564 5.981 -8.357 197 HG11 VAL 26 HG11 VAL 26 -0.217 6.308 -8.638 198 HG12 VAL 26 HG12 VAL 26 -1.043 7.429 -9.721 199 HG13 VAL 26 HG13 VAL 26 -0.345 8.014 -8.210 200 HG21 VAL 26 HG21 VAL 26 -2.895 6.687 -5.978 201 HG22 VAL 26 HG22 VAL 26 -1.378 5.843 -6.289 202 HG23 VAL 26 HG23 VAL 26 -1.389 7.597 -6.101 203 H PHE 27 H PHE 27 -2.292 9.989 -6.914 204 HA PHE 27 HA PHE 27 -1.516 11.547 -9.269 205 HB2 PHE 27 HB2 PHE 27 -2.899 12.343 -7.101 206 HB3 PHE 27 HB3 PHE 27 -1.267 12.712 -6.553 207 HD1 PHE 27 HD1 PHE 27 0.055 13.602 -8.982 208 HD2 PHE 27 HD2 PHE 27 -3.898 14.361 -7.597 209 HE1 PHE 27 HE1 PHE 27 0.012 15.701 -10.265 210 HE2 PHE 27 HE2 PHE 27 -3.947 16.461 -8.879 211 HZ PHE 27 HZ PHE 27 -1.991 17.134 -10.214 212 H VAL 28 H VAL 28 0.523 11.498 -9.913 213 HA VAL 28 HA VAL 28 2.641 11.184 -7.892 214 HB VAL 28 HB VAL 28 3.775 9.576 -9.070 215 HG11 VAL 28 HG11 VAL 28 1.234 8.990 -8.519 216 HG12 VAL 28 HG12 VAL 28 1.198 8.735 -10.265 217 HG13 VAL 28 HG13 VAL 28 2.334 7.831 -9.263 218 HG21 VAL 28 HG21 VAL 28 4.076 10.691 -11.141 219 HG22 VAL 28 HG22 VAL 28 3.355 9.126 -11.517 220 HG23 VAL 28 HG23 VAL 28 2.359 10.581 -11.529 221 H HIS 29 H HIS 29 4.504 12.359 -8.212 222 HA HIS 29 HA HIS 29 4.473 14.238 -10.483 223 HB2 HIS 29 HB2 HIS 29 5.610 14.798 -7.740 224 HB3 HIS 29 HB3 HIS 29 5.422 15.940 -9.067 225 HD1 HIS 29 HD1 HIS 29 4.162 16.342 -6.223 226 HD2 HIS 29 HD2 HIS 29 2.178 14.830 -9.546 227 HE1 HIS 29 HE1 HIS 29 1.720 16.768 -5.800 228 H PHE 30 H PHE 30 6.569 14.983 -11.216 229 HA PHE 30 HA PHE 30 8.376 12.931 -11.707 230 HB2 PHE 30 HB2 PHE 30 9.741 14.539 -12.763 231 HB3 PHE 30 HB3 PHE 30 8.103 15.161 -12.938 232 HD1 PHE 30 HD2 PHE 30 7.357 16.727 -10.902 233 HD2 PHE 30 HD1 PHE 30 11.367 16.022 -12.143 234 HE1 PHE 30 HE2 PHE 30 8.050 18.842 -9.853 235 HE2 PHE 30 HE1 PHE 30 12.067 18.135 -11.096 236 HZ PHE 30 HZ PHE 30 10.407 19.549 -9.950 237 H THR 31 H THR 31 8.105 15.048 -8.993 238 HA THR 31 HA THR 31 10.772 14.367 -8.015 239 HB THR 31 HB THR 31 9.964 16.709 -7.807 240 HG1 THR 31 HG1 THR 31 11.455 15.606 -6.256 241 HG21 THR 31 HG21 THR 31 7.572 16.010 -7.321 242 HG22 THR 31 HG22 THR 31 8.218 17.315 -6.325 243 HG23 THR 31 HG23 THR 31 8.105 15.680 -5.674 244 H ALA 32 H ALA 32 8.446 12.455 -8.216 245 HA ALA 32 HA ALA 32 8.454 11.597 -5.396 246 HB1 ALA 32 HB1 ALA 32 6.210 11.393 -7.396 247 HB2 ALA 32 HB2 ALA 32 6.225 10.570 -5.836 248 HB3 ALA 32 HB3 ALA 32 6.236 12.332 -5.903 249 H ILE 33 H ILE 33 9.627 10.928 -8.367 250 HA ILE 33 HA ILE 33 9.292 8.037 -8.255 251 HB ILE 33 HB ILE 33 10.705 9.804 -10.253 252 HG12 ILE 33 HG12 ILE 33 8.783 8.582 -11.653 253 HG13 ILE 33 HG13 ILE 33 8.016 8.540 -10.069 254 HG21 ILE 33 HG21 ILE 33 10.913 6.955 -9.771 255 HG22 ILE 33 HG22 ILE 33 10.343 7.311 -11.400 256 HG23 ILE 33 HG23 ILE 33 11.866 7.993 -10.831 257 HD11 ILE 33 HD11 ILE 33 8.757 10.893 -11.747 258 HD12 ILE 33 HD12 ILE 33 7.217 10.500 -10.982 259 HD13 ILE 33 HD13 ILE 33 8.572 11.060 -10.002 260 H GLU 34 H GLU 34 10.766 6.656 -7.487 261 HA GLU 34 HA GLU 34 13.417 7.731 -6.777 262 HB2 GLU 34 HB2 GLU 34 12.121 5.391 -5.400 263 HB3 GLU 34 HB3 GLU 34 13.457 6.388 -4.841 264 HG2 GLU 34 HG2 GLU 34 11.415 8.202 -5.114 265 HG3 GLU 34 HG3 GLU 34 10.590 6.757 -4.532 266 H ALA 35 H ALA 35 14.319 7.120 -8.777 267 HA ALA 35 HA ALA 35 14.705 4.213 -9.073 268 HB1 ALA 35 HB1 ALA 35 15.132 5.426 -11.581 269 HB2 ALA 35 HB2 ALA 35 13.839 4.321 -11.112 270 HB3 ALA 35 HB3 ALA 35 13.611 6.063 -10.954 271 H ASP 36 H ASP 36 16.672 3.921 -10.728 272 HA ASP 36 HA ASP 36 18.881 5.510 -9.604 273 HB2 ASP 36 HB2 ASP 36 18.630 2.878 -9.343 274 HB3 ASP 36 HB3 ASP 36 19.376 2.889 -10.938 275 H GLY 37 H GLY 37 18.963 7.163 -11.098 276 HA2 GLY 37 HA2 GLY 37 20.455 7.628 -13.041 277 HA3 GLY 37 HA3 GLY 37 19.590 6.341 -13.868 278 H PHE 38 H PHE 38 18.112 7.007 -15.260 279 HA PHE 38 HA PHE 38 17.359 9.698 -15.548 280 HB2 PHE 38 HB2 PHE 38 16.092 7.178 -16.638 281 HB3 PHE 38 HB3 PHE 38 15.644 8.805 -17.141 282 HD1 PHE 38 HD2 PHE 38 18.104 10.205 -17.473 283 HD2 PHE 38 HD1 PHE 38 17.219 6.133 -18.339 284 HE1 PHE 38 HE2 PHE 38 19.896 10.178 -19.158 285 HE2 PHE 38 HE1 PHE 38 19.010 6.099 -20.025 286 HZ PHE 38 HZ PHE 38 20.352 8.123 -20.436 287 H ARG 39 H ARG 39 16.198 10.797 -14.112 288 HA ARG 39 HA ARG 39 14.302 9.532 -12.370 289 HB2 ARG 39 HB2 ARG 39 13.860 11.889 -11.615 290 HB3 ARG 39 HB3 ARG 39 15.535 11.371 -11.479 291 HG2 ARG 39 HG2 ARG 39 16.261 12.883 -12.973 292 HG3 ARG 39 HG3 ARG 39 14.840 12.702 -14.004 293 HD2 ARG 39 HD2 ARG 39 14.750 14.901 -13.148 294 HD3 ARG 39 HD3 ARG 39 13.557 13.976 -12.238 295 HE ARG 39 HE ARG 39 14.768 14.362 -10.341 296 HH11 ARG 39 HH11 ARG 39 16.785 14.980 -13.110 297 HH12 ARG 39 HH12 ARG 39 18.096 15.621 -12.177 298 HH21 ARG 39 HH21 ARG 39 16.488 15.203 -9.100 299 HH22 ARG 39 HH22 ARG 39 17.927 15.746 -9.895 300 H THR 40 H THR 40 12.912 8.634 -14.041 301 HA THR 40 HA THR 40 10.585 10.192 -14.442 302 HB THR 40 HB THR 40 11.915 11.234 -16.219 303 HG1 THR 40 HG1 THR 40 10.328 11.049 -17.736 304 HG21 THR 40 HG21 THR 40 13.137 10.111 -17.751 305 HG22 THR 40 HG22 THR 40 11.944 8.822 -17.909 306 HG23 THR 40 HG23 THR 40 13.081 8.811 -16.561 307 H LEU 41 H LEU 41 8.958 9.006 -15.821 308 HA LEU 41 HA LEU 41 9.344 6.110 -15.477 309 HB2 LEU 41 HB2 LEU 41 7.292 7.823 -14.635 310 HB3 LEU 41 HB3 LEU 41 6.614 6.880 -15.960 311 HG LEU 41 HG LEU 41 7.602 4.857 -14.606 312 HD11 LEU 41 HD11 LEU 41 8.728 5.773 -12.831 313 HD12 LEU 41 HD12 LEU 41 7.144 5.492 -12.108 314 HD13 LEU 41 HD13 LEU 41 7.590 7.109 -12.655 315 HD21 LEU 41 HD21 LEU 41 5.426 4.455 -14.489 316 HD22 LEU 41 HD22 LEU 41 5.080 6.165 -14.751 317 HD23 LEU 41 HD23 LEU 41 5.300 5.550 -13.112 318 H ASN 42 H ASN 42 7.869 4.813 -17.028 319 HA ASN 42 HA ASN 42 8.033 5.983 -19.726 320 HB2 ASN 42 HB2 ASN 42 8.667 3.127 -18.947 321 HB3 ASN 42 HB3 ASN 42 8.669 3.765 -20.588 322 HD21 ASN 42 HD21 ASN 42 10.157 4.177 -17.415 323 HD22 ASN 42 HD22 ASN 42 11.692 4.707 -18.007 324 H GLU 43 H GLU 43 6.186 5.957 -20.825 325 HA GLU 43 HA GLU 43 3.774 5.061 -19.735 326 HB2 GLU 43 HB2 GLU 43 3.786 6.794 -21.406 327 HB3 GLU 43 HB3 GLU 43 4.515 5.716 -22.588 328 HG2 GLU 43 HG2 GLU 43 2.473 4.326 -22.520 329 HG3 GLU 43 HG3 GLU 43 1.746 5.505 -21.430 330 H GLY 44 H GLY 44 2.898 3.107 -19.579 331 HA2 GLY 44 HA2 GLY 44 2.213 0.997 -20.349 332 HA3 GLY 44 HA3 GLY 44 3.396 1.110 -21.643 333 H GLU 45 H GLU 45 4.834 1.977 -18.762 334 HA GLU 45 HA GLU 45 6.052 -0.683 -18.531 335 HB2 GLU 45 HB2 GLU 45 7.561 1.223 -18.982 336 HB3 GLU 45 HB3 GLU 45 7.036 1.976 -17.483 337 HG2 GLU 45 HG2 GLU 45 8.244 0.567 -16.181 338 HG3 GLU 45 HG3 GLU 45 8.106 -0.777 -17.313 339 H HIS 46 H HIS 46 6.550 -1.514 -16.400 340 HA HIS 46 HA HIS 46 4.364 -1.029 -14.549 341 HB2 HIS 46 HB2 HIS 46 6.586 -3.021 -14.154 342 HB3 HIS 46 HB3 HIS 46 4.942 -3.074 -13.525 343 HD1 HIS 46 HD1 HIS 46 3.242 -4.308 -14.888 344 HD2 HIS 46 HD2 HIS 46 6.748 -3.584 -16.995 345 HE1 HIS 46 HE1 HIS 46 3.012 -5.594 -17.036 346 H VAL 47 H VAL 47 4.554 -0.242 -12.493 347 HA VAL 47 HA VAL 47 7.123 0.265 -11.295 348 HB VAL 47 HB VAL 47 6.570 2.755 -11.017 349 HG11 VAL 47 HG11 VAL 47 8.229 1.450 -12.682 350 HG12 VAL 47 HG12 VAL 47 7.238 2.317 -13.857 351 HG13 VAL 47 HG13 VAL 47 8.109 3.208 -12.608 352 HG21 VAL 47 HG21 VAL 47 4.989 3.761 -12.281 353 HG22 VAL 47 HG22 VAL 47 5.223 2.665 -13.643 354 HG23 VAL 47 HG23 VAL 47 4.262 2.154 -12.255 355 H GLU 48 H GLU 48 6.992 0.528 -9.104 356 HA GLU 48 HA GLU 48 4.343 0.151 -7.937 357 HB2 GLU 48 HB2 GLU 48 5.883 -1.433 -7.118 358 HB3 GLU 48 HB3 GLU 48 7.144 -0.226 -6.908 359 HG2 GLU 48 HG2 GLU 48 5.913 0.763 -5.060 360 HG3 GLU 48 HG3 GLU 48 4.618 -0.412 -5.282 361 H PHE 49 H PHE 49 3.269 1.735 -6.967 362 HA PHE 49 HA PHE 49 4.762 4.143 -6.155 363 HB2 PHE 49 HB2 PHE 49 2.585 5.365 -6.571 364 HB3 PHE 49 HB3 PHE 49 3.391 4.748 -8.009 365 HD1 PHE 49 HD1 PHE 49 2.534 2.681 -9.102 366 HD2 PHE 49 HD2 PHE 49 0.421 4.648 -5.974 367 HE1 PHE 49 HE1 PHE 49 0.479 1.489 -9.744 368 HE2 PHE 49 HE2 PHE 49 -1.636 3.460 -6.611 369 HZ PHE 49 HZ PHE 49 -1.609 1.877 -8.498 370 H GLU 50 H GLU 50 4.300 5.070 -4.190 371 HA GLU 50 HA GLU 50 2.645 3.439 -2.390 372 HB2 GLU 50 HB2 GLU 50 4.958 5.298 -1.841 373 HB3 GLU 50 HB3 GLU 50 3.951 4.614 -0.573 374 HG2 GLU 50 HG2 GLU 50 4.567 2.341 -1.501 375 HG3 GLU 50 HG3 GLU 50 5.785 3.176 -2.463 376 H VAL 51 H VAL 51 0.632 4.305 -2.568 377 HA VAL 51 HA VAL 51 0.047 7.047 -2.828 378 HB VAL 51 HB VAL 51 -2.247 6.477 -2.341 379 HG11 VAL 51 HG11 VAL 51 -0.797 5.467 -4.411 380 HG12 VAL 51 HG12 VAL 51 -1.556 4.010 -3.766 381 HG13 VAL 51 HG13 VAL 51 -2.553 5.375 -4.272 382 HG21 VAL 51 HG21 VAL 51 -2.741 4.040 -1.724 383 HG22 VAL 51 HG22 VAL 51 -1.055 3.964 -1.212 384 HG23 VAL 51 HG23 VAL 51 -2.158 5.106 -0.445 385 H GLU 52 H GLU 52 0.171 8.634 -1.393 386 HA GLU 52 HA GLU 52 0.144 7.940 1.471 387 HB2 GLU 52 HB2 GLU 52 1.747 9.879 -0.115 388 HB3 GLU 52 HB3 GLU 52 1.279 10.360 1.510 389 HG2 GLU 52 HG2 GLU 52 2.893 7.951 0.716 390 HG3 GLU 52 HG3 GLU 52 3.446 9.370 1.604 391 HA PRO 53 HA PRO 53 -3.366 10.473 2.176 392 HB2 PRO 53 HB2 PRO 53 -2.773 11.649 4.549 393 HB3 PRO 53 HB3 PRO 53 -3.187 9.937 4.403 394 HG2 PRO 53 HG2 PRO 53 -0.492 11.221 4.629 395 HG3 PRO 53 HG3 PRO 53 -1.109 9.765 5.432 396 HD2 PRO 53 HD2 PRO 53 0.502 9.659 3.258 397 HD3 PRO 53 HD3 PRO 53 -0.747 8.439 3.581 398 H GLY 54 H GLY 54 -1.266 12.651 3.908 399 HA2 GLY 54 HA2 GLY 54 -2.168 14.873 2.317 400 HA3 GLY 54 HA3 GLY 54 -1.070 14.947 3.688 401 H ARG 55 H ARG 55 -0.988 13.426 0.460 402 HA ARG 55 HA ARG 55 1.539 14.848 -0.038 403 HB2 ARG 55 HB2 ARG 55 0.982 11.933 -0.129 404 HB3 ARG 55 HB3 ARG 55 1.984 12.588 -1.417 405 HG2 ARG 55 HG2 ARG 55 2.545 12.988 1.511 406 HG3 ARG 55 HG3 ARG 55 3.246 11.696 0.534 407 HD2 ARG 55 HD2 ARG 55 3.479 14.496 -0.442 408 HD3 ARG 55 HD3 ARG 55 4.498 13.994 0.906 409 HE ARG 55 HE ARG 55 4.677 12.082 -1.143 410 HH11 ARG 55 HH11 ARG 55 5.607 15.364 -0.446 411 HH12 ARG 55 HH12 ARG 55 7.001 15.325 -1.474 412 HH21 ARG 55 HH21 ARG 55 6.510 12.019 -2.499 413 HH22 ARG 55 HH22 ARG 55 7.514 13.422 -2.642 414 H GLY 56 H GLY 56 -1.229 13.133 -1.429 415 HA2 GLY 56 HA2 GLY 56 -0.700 14.375 -4.031 416 HA3 GLY 56 HA3 GLY 56 -1.849 13.083 -3.718 417 H GLY 57 H GLY 57 -2.013 15.848 -4.997 418 HA2 GLY 57 HA2 GLY 57 -3.462 17.660 -3.532 419 HA3 GLY 57 HA3 GLY 57 -3.711 17.380 -5.249 420 H LYS 58 H LYS 58 -4.737 14.813 -5.230 421 HA LYS 58 HA LYS 58 -7.417 15.340 -4.265 422 HB2 LYS 58 HB2 LYS 58 -6.199 13.194 -5.989 423 HB3 LYS 58 HB3 LYS 58 -7.854 13.078 -5.407 424 HG2 LYS 58 HG2 LYS 58 -6.759 15.340 -7.066 425 HG3 LYS 58 HG3 LYS 58 -7.706 13.984 -7.684 426 HD2 LYS 58 HD2 LYS 58 -8.625 16.021 -5.655 427 HD3 LYS 58 HD3 LYS 58 -9.114 15.945 -7.350 428 HE2 LYS 58 HE2 LYS 58 -10.050 13.687 -6.920 429 HE3 LYS 58 HE3 LYS 58 -9.659 13.887 -5.213 430 HZ1 LYS 58 HZ1 LYS 58 -11.972 14.429 -5.682 431 HZ2 LYS 58 HZ2 LYS 58 -11.489 15.633 -6.769 432 HZ3 LYS 58 HZ3 LYS 58 -11.133 15.788 -5.122 433 H GLY 59 H GLY 59 -4.657 13.519 -3.306 434 HA2 GLY 59 HA2 GLY 59 -5.145 12.972 -0.778 435 HA3 GLY 59 HA3 GLY 59 -6.229 11.808 -1.526 436 HA PRO 60 HA PRO 60 -2.925 8.925 -1.649 437 HB2 PRO 60 HB2 PRO 60 -3.734 7.363 -3.717 438 HB3 PRO 60 HB3 PRO 60 -4.512 7.334 -2.130 439 HG2 PRO 60 HG2 PRO 60 -5.358 8.747 -4.630 440 HG3 PRO 60 HG3 PRO 60 -6.344 7.836 -3.472 441 HD2 PRO 60 HD2 PRO 60 -6.222 10.541 -3.470 442 HD3 PRO 60 HD3 PRO 60 -6.448 9.594 -1.985 443 H GLN 61 H GLN 61 -0.971 9.594 -2.303 444 HA GLN 61 HA GLN 61 -0.568 10.075 -5.182 445 HB2 GLN 61 HB2 GLN 61 -0.104 12.177 -4.456 446 HB3 GLN 61 HB3 GLN 61 0.257 11.646 -2.819 447 HG2 GLN 61 HG2 GLN 61 2.452 10.924 -3.484 448 HG3 GLN 61 HG3 GLN 61 2.097 11.289 -5.172 449 HE21 GLN 61 HE21 GLN 61 1.108 13.677 -5.283 450 HE22 GLN 61 HE22 GLN 61 2.130 14.866 -4.558 451 H ALA 62 H ALA 62 1.544 9.538 -6.015 452 HA ALA 62 HA ALA 62 2.517 7.060 -4.940 453 HB1 ALA 62 HB1 ALA 62 2.399 7.238 -7.309 454 HB2 ALA 62 HB2 ALA 62 3.362 8.716 -7.308 455 HB3 ALA 62 HB3 ALA 62 4.108 7.178 -6.875 456 H LYS 63 H LYS 63 2.990 8.562 -2.895 457 HA LYS 63 HA LYS 63 5.122 10.236 -2.651 458 HB2 LYS 63 HB2 LYS 63 3.645 9.576 -0.787 459 HB3 LYS 63 HB3 LYS 63 4.423 7.999 -0.739 460 HG2 LYS 63 HG2 LYS 63 6.503 9.850 -0.557 461 HG3 LYS 63 HG3 LYS 63 5.222 10.472 0.485 462 HD2 LYS 63 HD2 LYS 63 6.754 8.981 1.697 463 HD3 LYS 63 HD3 LYS 63 5.108 8.344 1.654 464 HE2 LYS 63 HE2 LYS 63 5.660 6.679 0.133 465 HE3 LYS 63 HE3 LYS 63 7.101 7.529 -0.424 466 HZ1 LYS 63 HZ1 LYS 63 6.959 5.530 1.485 467 HZ2 LYS 63 HZ2 LYS 63 7.323 6.948 2.332 468 HZ3 LYS 63 HZ3 LYS 63 8.316 6.447 1.058 469 H LYS 64 H LYS 64 5.210 6.741 -3.019 470 HA LYS 64 HA LYS 64 8.119 6.928 -3.417 471 HB2 LYS 64 HB2 LYS 64 6.797 5.525 -1.341 472 HB3 LYS 64 HB3 LYS 64 7.411 4.318 -2.463 473 HG2 LYS 64 HG2 LYS 64 9.634 5.565 -2.312 474 HG3 LYS 64 HG3 LYS 64 8.938 6.374 -0.906 475 HD2 LYS 64 HD2 LYS 64 10.168 4.512 -0.091 476 HD3 LYS 64 HD3 LYS 64 8.460 4.087 0.034 477 HE2 LYS 64 HE2 LYS 64 8.590 2.730 -1.935 478 HE3 LYS 64 HE3 LYS 64 10.226 3.290 -2.274 479 HZ1 LYS 64 HZ1 LYS 64 11.112 1.907 -0.752 480 HZ2 LYS 64 HZ2 LYS 64 9.701 1.015 -1.024 481 HZ3 LYS 64 HZ3 LYS 64 9.807 2.040 0.317 482 H VAL 65 H VAL 65 8.349 6.641 -5.545 483 HA VAL 65 HA VAL 65 6.780 4.525 -6.858 484 HB VAL 65 HB VAL 65 7.576 7.190 -7.688 485 HG11 VAL 65 HG11 VAL 65 9.340 6.111 -8.906 486 HG12 VAL 65 HG12 VAL 65 8.227 4.889 -9.525 487 HG13 VAL 65 HG13 VAL 65 8.074 6.568 -10.045 488 HG21 VAL 65 HG21 VAL 65 5.303 5.843 -7.683 489 HG22 VAL 65 HG22 VAL 65 5.623 7.106 -8.872 490 HG23 VAL 65 HG23 VAL 65 5.831 5.410 -9.309 491 H ARG 66 H ARG 66 7.777 2.927 -8.027 492 HA ARG 66 HA ARG 66 10.718 2.912 -8.052 493 HB2 ARG 66 HB2 ARG 66 8.922 0.599 -7.299 494 HB3 ARG 66 HB3 ARG 66 10.663 0.491 -7.525 495 HG2 ARG 66 HG2 ARG 66 10.586 2.459 -5.716 496 HG3 ARG 66 HG3 ARG 66 9.105 1.604 -5.281 497 HD2 ARG 66 HD2 ARG 66 10.651 0.506 -3.981 498 HD3 ARG 66 HD3 ARG 66 10.633 -0.510 -5.421 499 HE ARG 66 HE ARG 66 12.609 1.360 -5.846 500 HH11 ARG 66 HH11 ARG 66 11.930 -1.115 -3.494 501 HH12 ARG 66 HH12 ARG 66 13.599 -1.428 -3.150 502 HH21 ARG 66 HH21 ARG 66 14.810 0.956 -5.402 503 HH22 ARG 66 HH22 ARG 66 15.236 -0.249 -4.235 504 H ARG 67 H ARG 67 11.679 2.000 -9.835 505 HA ARG 67 HA ARG 67 10.028 1.775 -12.180 506 HB2 ARG 67 HB2 ARG 67 12.134 2.867 -12.453 507 HB3 ARG 67 HB3 ARG 67 12.998 1.523 -11.719 508 HG2 ARG 67 HG2 ARG 67 13.376 1.438 -14.063 509 HG3 ARG 67 HG3 ARG 67 12.288 0.111 -13.650 510 HD2 ARG 67 HD2 ARG 67 10.817 0.867 -15.130 511 HD3 ARG 67 HD3 ARG 67 10.691 2.374 -14.225 512 HE ARG 67 HE ARG 67 11.860 3.385 -15.894 513 HH11 ARG 67 HH11 ARG 67 12.587 -0.020 -15.952 514 HH12 ARG 67 HH12 ARG 67 13.577 0.083 -17.370 515 HH21 ARG 67 HH21 ARG 67 13.161 3.533 -17.761 516 HH22 ARG 67 HH22 ARG 67 13.904 2.104 -18.398 517 H ILE 68 H ILE 68 9.370 -0.025 -13.198 518 HA ILE 68 HA ILE 68 10.546 -2.603 -12.455 519 HB ILE 68 HB ILE 68 7.558 -2.257 -12.597 520 HG12 ILE 68 HG12 ILE 68 8.600 -0.930 -10.714 521 HG13 ILE 68 HG13 ILE 68 7.451 -2.166 -10.213 522 HG21 ILE 68 HG21 ILE 68 9.427 -4.468 -11.847 523 HG22 ILE 68 HG22 ILE 68 7.787 -4.427 -11.201 524 HG23 ILE 68 HG23 ILE 68 8.046 -4.494 -12.944 525 HD11 ILE 68 HD11 ILE 68 9.063 -3.468 -9.258 526 HD12 ILE 68 HD12 ILE 68 10.339 -2.859 -10.313 527 HD13 ILE 68 HD13 ILE 68 9.741 -1.863 -8.986 Start of MODEL 6 1 H1 MET 1 H MET 1 1.190 1.857 -0.320 2 HA MET 1 HA MET 1 3.119 0.327 -1.718 3 HB2 MET 1 HB2 MET 1 0.943 -0.590 0.170 4 HB3 MET 1 HB3 MET 1 2.321 -1.554 -0.343 5 HG2 MET 1 HG2 MET 1 3.843 -0.155 0.811 6 HG3 MET 1 HG3 MET 1 2.602 1.061 1.105 7 HE1 MET 1 HE1 MET 1 1.077 1.194 2.620 8 HE2 MET 1 HE2 MET 1 0.123 -0.234 3.023 9 HE3 MET 1 HE3 MET 1 1.206 0.472 4.224 10 H LYS 2 H LYS 2 1.945 0.974 -3.847 11 HA LYS 2 HA LYS 2 0.266 -1.314 -4.616 12 HB2 LYS 2 HB2 LYS 2 -0.158 1.576 -5.391 13 HB3 LYS 2 HB3 LYS 2 -0.987 0.220 -6.145 14 HG2 LYS 2 HG2 LYS 2 -1.161 1.007 -3.243 15 HG3 LYS 2 HG3 LYS 2 -2.390 1.294 -4.478 16 HD2 LYS 2 HD2 LYS 2 -2.229 -1.298 -4.810 17 HD3 LYS 2 HD3 LYS 2 -1.559 -1.264 -3.177 18 HE2 LYS 2 HE2 LYS 2 -3.530 -0.336 -2.280 19 HE3 LYS 2 HE3 LYS 2 -4.147 0.096 -3.874 20 HZ1 LYS 2 HZ1 LYS 2 -5.175 -1.845 -3.966 21 HZ2 LYS 2 HZ2 LYS 2 -4.594 -2.254 -2.431 22 HZ3 LYS 2 HZ3 LYS 2 -3.706 -2.670 -3.810 23 H LYS 3 H LYS 3 0.436 -1.957 -6.818 24 HA LYS 3 HA LYS 3 2.682 -0.798 -8.312 25 HB2 LYS 3 HB2 LYS 3 2.274 -3.775 -8.151 26 HB3 LYS 3 HB3 LYS 3 3.678 -2.895 -8.742 27 HG2 LYS 3 HG2 LYS 3 4.136 -2.132 -6.448 28 HG3 LYS 3 HG3 LYS 3 2.764 -3.086 -5.878 29 HD2 LYS 3 HD2 LYS 3 4.704 -4.396 -5.495 30 HD3 LYS 3 HD3 LYS 3 3.893 -5.100 -6.896 31 HE2 LYS 3 HE2 LYS 3 5.437 -3.751 -8.343 32 HE3 LYS 3 HE3 LYS 3 6.319 -3.313 -6.881 33 HZ1 LYS 3 HZ1 LYS 3 7.448 -5.189 -7.079 34 HZ2 LYS 3 HZ2 LYS 3 6.535 -5.655 -8.424 35 HZ3 LYS 3 HZ3 LYS 3 6.024 -6.077 -6.868 36 H GLY 4 H GLY 4 2.337 -0.590 -10.456 37 HA2 GLY 4 HA2 GLY 4 0.619 -2.244 -11.981 38 HA3 GLY 4 HA3 GLY 4 -0.226 -0.770 -11.531 39 H THR 5 H THR 5 0.056 -1.198 -14.143 40 HA THR 5 HA THR 5 2.472 -0.002 -15.170 41 HB THR 5 HB THR 5 1.327 -0.158 -17.381 42 HG1 THR 5 HG1 THR 5 -0.837 0.029 -16.610 43 HG21 THR 5 HG21 THR 5 1.211 -2.720 -15.787 44 HG22 THR 5 HG22 THR 5 2.685 -2.020 -16.454 45 HG23 THR 5 HG23 THR 5 1.402 -2.567 -17.533 46 H VAL 6 H VAL 6 2.669 2.000 -16.171 47 HA VAL 6 HA VAL 6 0.818 4.021 -15.209 48 HB VAL 6 HB VAL 6 3.469 4.103 -15.334 49 HG11 VAL 6 HG11 VAL 6 3.452 3.856 -17.813 50 HG12 VAL 6 HG12 VAL 6 2.675 5.437 -17.918 51 HG13 VAL 6 HG13 VAL 6 4.298 5.294 -17.242 52 HG21 VAL 6 HG21 VAL 6 2.854 5.978 -14.301 53 HG22 VAL 6 HG22 VAL 6 2.841 6.751 -15.886 54 HG23 VAL 6 HG23 VAL 6 1.354 6.075 -15.222 55 H LYS 7 H LYS 7 -0.334 5.446 -16.498 56 HA LYS 7 HA LYS 7 -0.859 4.481 -19.212 57 HB2 LYS 7 HB2 LYS 7 -2.651 4.970 -17.348 58 HB3 LYS 7 HB3 LYS 7 -2.465 6.632 -17.890 59 HG2 LYS 7 HG2 LYS 7 -2.889 5.687 -20.245 60 HG3 LYS 7 HG3 LYS 7 -3.505 4.267 -19.398 61 HD2 LYS 7 HD2 LYS 7 -4.481 7.096 -19.005 62 HD3 LYS 7 HD3 LYS 7 -5.291 5.861 -19.973 63 HE2 LYS 7 HE2 LYS 7 -5.218 4.461 -17.795 64 HE3 LYS 7 HE3 LYS 7 -4.935 6.010 -17.002 65 HZ1 LYS 7 HZ1 LYS 7 -7.355 4.944 -18.126 66 HZ2 LYS 7 HZ2 LYS 7 -7.034 6.527 -18.630 67 HZ3 LYS 7 HZ3 LYS 7 -7.145 6.171 -16.980 68 H TRP 8 H TRP 8 0.366 7.228 -17.459 69 HA TRP 8 HA TRP 8 1.668 8.309 -19.704 70 HB2 TRP 8 HB2 TRP 8 0.386 10.161 -20.316 71 HB3 TRP 8 HB3 TRP 8 -0.826 8.900 -20.106 72 HD1 TRP 8 HD1 TRP 8 0.573 11.999 -18.284 73 HE1 TRP 8 HE1 TRP 8 -1.243 12.880 -16.688 74 HE3 TRP 8 HE3 TRP 8 -2.899 8.294 -18.881 75 HZ2 TRP 8 HZ2 TRP 8 -3.808 12.106 -15.798 76 HZ3 TRP 8 HZ3 TRP 8 -5.007 8.439 -17.621 77 HH2 TRP 8 HH2 TRP 8 -5.450 10.306 -16.111 78 H PHE 9 H PHE 9 3.113 9.922 -19.141 79 HA PHE 9 HA PHE 9 2.947 11.079 -16.468 80 HB2 PHE 9 HB2 PHE 9 4.227 9.104 -16.019 81 HB3 PHE 9 HB3 PHE 9 5.238 9.366 -17.436 82 HD1 PHE 9 HD1 PHE 9 4.451 10.585 -14.050 83 HD2 PHE 9 HD2 PHE 9 7.125 10.795 -17.355 84 HE1 PHE 9 HE1 PHE 9 6.064 11.820 -12.662 85 HE2 PHE 9 HE2 PHE 9 8.742 12.030 -15.972 86 HZ PHE 9 HZ PHE 9 8.213 12.544 -13.622 87 H ASN 10 H ASN 10 2.800 13.141 -17.204 88 HA ASN 10 HA ASN 10 4.313 14.174 -19.371 89 HB2 ASN 10 HB2 ASN 10 2.119 15.089 -18.495 90 HB3 ASN 10 HB3 ASN 10 3.032 15.783 -17.159 91 HD21 ASN 10 HD21 ASN 10 1.545 16.745 -19.716 92 HD22 ASN 10 HD22 ASN 10 2.610 17.957 -20.334 93 H ALA 11 H ALA 11 6.411 14.595 -19.385 94 HA ALA 11 HA ALA 11 7.854 14.936 -16.882 95 HB1 ALA 11 HB1 ALA 11 9.293 13.689 -18.044 96 HB2 ALA 11 HB2 ALA 11 8.514 14.070 -19.580 97 HB3 ALA 11 HB3 ALA 11 9.708 15.175 -18.899 98 H GLU 12 H GLU 12 6.672 16.833 -19.516 99 HA GLU 12 HA GLU 12 8.424 19.029 -19.350 100 HB2 GLU 12 HB2 GLU 12 5.739 18.521 -20.496 101 HB3 GLU 12 HB3 GLU 12 6.147 20.202 -20.184 102 HG2 GLU 12 HG2 GLU 12 8.214 19.891 -21.521 103 HG3 GLU 12 HG3 GLU 12 7.656 18.268 -21.923 104 H LYS 13 H LYS 13 5.333 18.362 -17.748 105 HA LYS 13 HA LYS 13 5.566 20.798 -16.168 106 HB2 LYS 13 HB2 LYS 13 3.425 18.686 -16.401 107 HB3 LYS 13 HB3 LYS 13 3.357 19.975 -15.206 108 HG2 LYS 13 HG2 LYS 13 3.672 21.531 -17.270 109 HG3 LYS 13 HG3 LYS 13 3.097 20.127 -18.172 110 HD2 LYS 13 HD2 LYS 13 0.996 20.256 -17.301 111 HD3 LYS 13 HD3 LYS 13 1.557 20.920 -15.765 112 HE2 LYS 13 HE2 LYS 13 1.882 22.610 -18.179 113 HE3 LYS 13 HE3 LYS 13 0.243 22.375 -17.574 114 HZ1 LYS 13 HZ1 LYS 13 2.545 23.429 -16.023 115 HZ2 LYS 13 HZ2 LYS 13 1.000 23.150 -15.396 116 HZ3 LYS 13 HZ3 LYS 13 1.228 24.326 -16.590 117 H GLY 14 H GLY 14 5.700 17.297 -15.766 118 HA2 GLY 14 HA2 GLY 14 7.146 16.308 -14.134 119 HA3 GLY 14 HA3 GLY 14 6.932 17.735 -13.132 120 H TYR 15 H TYR 15 4.474 15.750 -14.738 121 HA TYR 15 HA TYR 15 3.597 14.714 -12.154 122 HB2 TYR 15 HB2 TYR 15 1.383 15.525 -12.309 123 HB3 TYR 15 HB3 TYR 15 2.405 16.912 -12.668 124 HD1 TYR 15 HD1 TYR 15 0.083 14.442 -14.084 125 HD2 TYR 15 HD2 TYR 15 2.425 17.907 -14.863 126 HE1 TYR 15 HE1 TYR 15 -1.121 14.772 -16.203 127 HE2 TYR 15 HE2 TYR 15 1.227 18.248 -16.984 128 HH TYR 15 HH TYR 15 -1.590 16.390 -17.822 129 H GLY 16 H GLY 16 1.751 13.124 -12.460 130 HA2 GLY 16 HA2 GLY 16 1.255 11.977 -15.003 131 HA3 GLY 16 HA3 GLY 16 2.523 11.079 -14.182 132 H PHE 17 H PHE 17 0.394 9.646 -14.757 133 HA PHE 17 HA PHE 17 -0.838 9.207 -12.144 134 HB2 PHE 17 HB2 PHE 17 -2.342 9.596 -14.729 135 HB3 PHE 17 HB3 PHE 17 -3.044 8.762 -13.347 136 HD1 PHE 17 HD2 PHE 17 -1.648 11.988 -14.488 137 HD2 PHE 17 HD1 PHE 17 -3.945 9.957 -11.535 138 HE1 PHE 17 HE2 PHE 17 -2.341 14.151 -13.543 139 HE2 PHE 17 HE1 PHE 17 -4.642 12.117 -10.587 140 HZ PHE 17 HZ PHE 17 -3.840 14.218 -11.591 141 H ILE 18 H ILE 18 -0.687 7.141 -11.582 142 HA ILE 18 HA ILE 18 -0.023 5.172 -13.645 143 HB ILE 18 HB ILE 18 0.134 4.884 -10.643 144 HG12 ILE 18 HG12 ILE 18 2.519 5.142 -12.436 145 HG13 ILE 18 HG13 ILE 18 1.668 6.595 -11.925 146 HG21 ILE 18 HG21 ILE 18 1.044 3.146 -12.922 147 HG22 ILE 18 HG22 ILE 18 1.659 2.972 -11.280 148 HG23 ILE 18 HG23 ILE 18 -0.057 2.735 -11.607 149 HD11 ILE 18 HD11 ILE 18 3.179 4.617 -10.274 150 HD12 ILE 18 HD12 ILE 18 3.348 6.371 -10.354 151 HD13 ILE 18 HD13 ILE 18 1.953 5.655 -9.547 152 H GLN 19 H GLN 19 -1.064 3.132 -13.726 153 HA GLN 19 HA GLN 19 -3.696 3.033 -12.412 154 HB2 GLN 19 HB2 GLN 19 -3.271 1.928 -15.169 155 HB3 GLN 19 HB3 GLN 19 -4.777 2.371 -14.376 156 HG2 GLN 19 HG2 GLN 19 -2.690 4.197 -15.527 157 HG3 GLN 19 HG3 GLN 19 -4.361 3.990 -16.047 158 HE21 GLN 19 HE21 GLN 19 -2.629 6.267 -14.927 159 HE22 GLN 19 HE22 GLN 19 -3.644 6.983 -13.726 160 H GLN 20 H GLN 20 -4.247 1.132 -11.501 161 HA GLN 20 HA GLN 20 -2.281 -1.035 -11.666 162 HB2 GLN 20 HB2 GLN 20 -4.532 -0.745 -9.677 163 HB3 GLN 20 HB3 GLN 20 -3.145 -1.820 -9.572 164 HG2 GLN 20 HG2 GLN 20 -1.660 0.002 -9.206 165 HG3 GLN 20 HG3 GLN 20 -2.924 1.177 -9.568 166 HE21 GLN 20 HE21 GLN 20 -3.730 2.127 -7.854 167 HE22 GLN 20 HE22 GLN 20 -3.877 1.442 -6.275 168 H GLU 21 H GLU 21 -3.839 -3.150 -10.795 169 HA GLU 21 HA GLU 21 -4.808 -4.259 -13.105 170 HB2 GLU 21 HB2 GLU 21 -5.879 -4.832 -10.338 171 HB3 GLU 21 HB3 GLU 21 -5.938 -5.907 -11.727 172 HG2 GLU 21 HG2 GLU 21 -3.543 -5.067 -10.130 173 HG3 GLU 21 HG3 GLU 21 -4.193 -6.690 -10.363 174 H GLU 22 H GLU 22 -6.459 -2.129 -10.877 175 HA GLU 22 HA GLU 22 -8.927 -2.371 -12.453 176 HB2 GLU 22 HB2 GLU 22 -8.547 -1.021 -9.777 177 HB3 GLU 22 HB3 GLU 22 -10.074 -1.345 -10.585 178 HG2 GLU 22 HG2 GLU 22 -9.270 -3.829 -10.460 179 HG3 GLU 22 HG3 GLU 22 -8.248 -3.214 -9.162 180 H GLY 23 H GLY 23 -6.358 -0.207 -11.581 181 HA2 GLY 23 HA2 GLY 23 -5.763 1.833 -12.464 182 HA3 GLY 23 HA3 GLY 23 -7.029 1.613 -13.663 183 HA PRO 24 HA PRO 24 -9.187 3.659 -9.851 184 HB2 PRO 24 HB2 PRO 24 -7.575 4.470 -7.822 185 HB3 PRO 24 HB3 PRO 24 -8.307 2.862 -7.883 186 HG2 PRO 24 HG2 PRO 24 -5.534 3.710 -8.627 187 HG3 PRO 24 HG3 PRO 24 -6.061 2.279 -7.723 188 HD2 PRO 24 HD2 PRO 24 -5.396 2.181 -10.345 189 HD3 PRO 24 HD3 PRO 24 -6.635 1.127 -9.635 190 H ASP 25 H ASP 25 -6.302 5.329 -8.883 191 HA ASP 25 HA ASP 25 -5.899 7.214 -10.814 192 HB2 ASP 25 HB2 ASP 25 -8.482 7.574 -9.567 193 HB3 ASP 25 HB3 ASP 25 -7.455 8.977 -9.283 194 H VAL 26 H VAL 26 -3.860 7.243 -9.962 195 HA VAL 26 HA VAL 26 -3.567 8.361 -7.251 196 HB VAL 26 HB VAL 26 -2.516 6.021 -8.146 197 HG11 VAL 26 HG11 VAL 26 -0.224 7.959 -8.321 198 HG12 VAL 26 HG12 VAL 26 -0.240 6.240 -8.722 199 HG13 VAL 26 HG13 VAL 26 -1.099 7.393 -9.743 200 HG21 VAL 26 HG21 VAL 26 -2.632 6.875 -5.824 201 HG22 VAL 26 HG22 VAL 26 -1.100 6.083 -6.194 202 HG23 VAL 26 HG23 VAL 26 -1.193 7.843 -6.140 203 H PHE 27 H PHE 27 -2.151 10.056 -6.898 204 HA PHE 27 HA PHE 27 -1.418 11.559 -9.305 205 HB2 PHE 27 HB2 PHE 27 -2.790 12.430 -7.177 206 HB3 PHE 27 HB3 PHE 27 -1.161 12.774 -6.603 207 HD1 PHE 27 HD1 PHE 27 0.289 13.709 -8.852 208 HD2 PHE 27 HD2 PHE 27 -3.806 14.355 -7.887 209 HE1 PHE 27 HE1 PHE 27 0.312 15.790 -10.164 210 HE2 PHE 27 HE2 PHE 27 -3.790 16.437 -9.198 211 HZ PHE 27 HZ PHE 27 -1.730 17.157 -10.339 212 H VAL 28 H VAL 28 0.609 11.427 -9.978 213 HA VAL 28 HA VAL 28 2.747 11.145 -7.968 214 HB VAL 28 HB VAL 28 3.896 9.579 -9.212 215 HG11 VAL 28 HG11 VAL 28 2.485 7.815 -9.279 216 HG12 VAL 28 HG12 VAL 28 1.358 8.972 -8.568 217 HG13 VAL 28 HG13 VAL 28 1.316 8.650 -10.302 218 HG21 VAL 28 HG21 VAL 28 4.065 10.708 -11.295 219 HG22 VAL 28 HG22 VAL 28 3.378 9.119 -11.632 220 HG23 VAL 28 HG23 VAL 28 2.336 10.541 -11.601 221 H HIS 29 H HIS 29 4.606 12.326 -8.282 222 HA HIS 29 HA HIS 29 4.576 14.218 -10.541 223 HB2 HIS 29 HB2 HIS 29 4.904 14.671 -7.639 224 HB3 HIS 29 HB3 HIS 29 6.026 15.549 -8.674 225 HD1 HIS 29 HD1 HIS 29 4.794 17.743 -7.867 226 HD2 HIS 29 HD2 HIS 29 2.484 15.140 -10.136 227 HE1 HIS 29 HE1 HIS 29 2.791 19.079 -8.592 228 H PHE 30 H PHE 30 6.698 15.024 -11.193 229 HA PHE 30 HA PHE 30 8.522 12.985 -11.696 230 HB2 PHE 30 HB2 PHE 30 9.909 14.627 -12.681 231 HB3 PHE 30 HB3 PHE 30 8.267 15.224 -12.901 232 HD1 PHE 30 HD2 PHE 30 7.410 16.822 -11.000 233 HD2 PHE 30 HD1 PHE 30 11.507 16.056 -11.860 234 HE1 PHE 30 HE2 PHE 30 8.031 18.935 -9.904 235 HE2 PHE 30 HE1 PHE 30 12.135 18.168 -10.764 236 HZ PHE 30 HZ PHE 30 10.396 19.611 -9.785 237 H THR 31 H THR 31 8.146 14.984 -8.924 238 HA THR 31 HA THR 31 10.813 14.341 -7.914 239 HB THR 31 HB THR 31 9.978 16.655 -7.640 240 HG1 THR 31 HG1 THR 31 11.469 16.000 -6.118 241 HG21 THR 31 HG21 THR 31 8.244 16.318 -5.424 242 HG22 THR 31 HG22 THR 31 7.633 15.306 -6.733 243 HG23 THR 31 HG23 THR 31 7.881 17.032 -6.995 244 H ALA 32 H ALA 32 8.497 12.408 -8.224 245 HA ALA 32 HA ALA 32 8.470 11.455 -5.434 246 HB1 ALA 32 HB1 ALA 32 6.294 10.547 -7.202 247 HB2 ALA 32 HB2 ALA 32 6.261 11.005 -5.498 248 HB3 ALA 32 HB3 ALA 32 6.258 12.251 -6.746 249 H ILE 33 H ILE 33 9.639 10.889 -8.464 250 HA ILE 33 HA ILE 33 9.423 7.988 -8.381 251 HB ILE 33 HB ILE 33 10.770 9.816 -10.371 252 HG12 ILE 33 HG12 ILE 33 8.819 8.568 -11.741 253 HG13 ILE 33 HG13 ILE 33 8.083 8.576 -10.142 254 HG21 ILE 33 HG21 ILE 33 10.431 7.374 -11.588 255 HG22 ILE 33 HG22 ILE 33 11.946 8.010 -10.950 256 HG23 ILE 33 HG23 ILE 33 10.954 6.941 -9.960 257 HD11 ILE 33 HD11 ILE 33 8.827 10.878 -11.889 258 HD12 ILE 33 HD12 ILE 33 7.295 10.524 -11.091 259 HD13 ILE 33 HD13 ILE 33 8.672 11.088 -10.145 260 H GLU 34 H GLU 34 10.982 6.635 -7.717 261 HA GLU 34 HA GLU 34 13.571 7.814 -6.950 262 HB2 GLU 34 HB2 GLU 34 12.328 5.347 -5.738 263 HB3 GLU 34 HB3 GLU 34 13.715 6.253 -5.148 264 HG2 GLU 34 HG2 GLU 34 11.586 8.075 -5.277 265 HG3 GLU 34 HG3 GLU 34 10.939 6.600 -4.561 266 H ALA 35 H ALA 35 14.496 7.399 -8.993 267 HA ALA 35 HA ALA 35 14.971 4.543 -9.554 268 HB1 ALA 35 HB1 ALA 35 14.963 4.942 -11.843 269 HB2 ALA 35 HB2 ALA 35 13.652 5.964 -11.253 270 HB3 ALA 35 HB3 ALA 35 15.218 6.676 -11.642 271 H ASP 36 H ASP 36 17.045 4.456 -11.114 272 HA ASP 36 HA ASP 36 19.199 5.596 -9.506 273 HB2 ASP 36 HB2 ASP 36 18.952 3.285 -11.376 274 HB3 ASP 36 HB3 ASP 36 20.538 4.026 -11.178 275 H GLY 37 H GLY 37 18.810 7.763 -10.381 276 HA2 GLY 37 HA2 GLY 37 20.393 9.143 -11.722 277 HA3 GLY 37 HA3 GLY 37 20.008 8.077 -13.066 278 H PHE 38 H PHE 38 18.624 8.884 -14.480 279 HA PHE 38 HA PHE 38 17.304 11.320 -14.173 280 HB2 PHE 38 HB2 PHE 38 15.954 10.549 -16.185 281 HB3 PHE 38 HB3 PHE 38 17.703 10.547 -16.382 282 HD1 PHE 38 HD1 PHE 38 14.768 8.393 -15.760 283 HD2 PHE 38 HD2 PHE 38 18.871 8.567 -16.878 284 HE1 PHE 38 HE1 PHE 38 14.684 6.025 -16.424 285 HE2 PHE 38 HE2 PHE 38 18.793 6.200 -17.545 286 HZ PHE 38 HZ PHE 38 16.698 4.926 -17.318 287 H ARG 39 H ARG 39 15.304 11.920 -13.508 288 HA ARG 39 HA ARG 39 13.730 9.885 -12.115 289 HB2 ARG 39 HB2 ARG 39 13.314 12.871 -12.032 290 HB3 ARG 39 HB3 ARG 39 12.726 11.667 -10.893 291 HG2 ARG 39 HG2 ARG 39 15.630 12.337 -11.320 292 HG3 ARG 39 HG3 ARG 39 14.619 13.004 -10.037 293 HD2 ARG 39 HD2 ARG 39 14.611 10.069 -10.267 294 HD3 ARG 39 HD3 ARG 39 16.145 10.787 -9.777 295 HE ARG 39 HE ARG 39 13.875 11.765 -8.305 296 HH11 ARG 39 HH11 ARG 39 16.314 9.290 -8.508 297 HH12 ARG 39 HH12 ARG 39 16.245 8.900 -6.821 298 HH21 ARG 39 HH21 ARG 39 13.774 11.262 -6.083 299 HH22 ARG 39 HH22 ARG 39 14.799 10.022 -5.443 300 H THR 40 H THR 40 12.568 8.900 -13.734 301 HA THR 40 HA THR 40 10.172 10.135 -14.559 302 HB THR 40 HB THR 40 11.458 11.365 -16.162 303 HG1 THR 40 HG1 THR 40 10.354 9.141 -17.556 304 HG21 THR 40 HG21 THR 40 13.498 10.109 -16.228 305 HG22 THR 40 HG22 THR 40 12.848 10.163 -17.866 306 HG23 THR 40 HG23 THR 40 12.671 8.702 -16.895 307 H LEU 41 H LEU 41 8.813 8.716 -15.829 308 HA LEU 41 HA LEU 41 9.688 5.908 -15.662 309 HB2 LEU 41 HB2 LEU 41 7.070 5.603 -15.761 310 HB3 LEU 41 HB3 LEU 41 7.915 5.915 -14.246 311 HG LEU 41 HG LEU 41 6.806 8.215 -15.793 312 HD11 LEU 41 HD11 LEU 41 4.875 6.919 -15.800 313 HD12 LEU 41 HD12 LEU 41 4.719 7.880 -14.330 314 HD13 LEU 41 HD13 LEU 41 5.235 6.196 -14.232 315 HD21 LEU 41 HD21 LEU 41 7.614 7.591 -13.001 316 HD22 LEU 41 HD22 LEU 41 6.335 8.779 -13.255 317 HD23 LEU 41 HD23 LEU 41 7.926 9.026 -13.977 318 H ASN 42 H ASN 42 8.032 4.561 -17.172 319 HA ASN 42 HA ASN 42 8.143 5.830 -19.829 320 HB2 ASN 42 HB2 ASN 42 8.512 2.883 -19.262 321 HB3 ASN 42 HB3 ASN 42 8.724 3.704 -20.806 322 HD21 ASN 42 HD21 ASN 42 10.010 3.352 -17.563 323 HD22 ASN 42 HD22 ASN 42 11.617 3.859 -17.944 324 H GLU 43 H GLU 43 6.279 5.937 -20.899 325 HA GLU 43 HA GLU 43 3.836 5.194 -19.775 326 HB2 GLU 43 HB2 GLU 43 3.836 6.915 -21.410 327 HB3 GLU 43 HB3 GLU 43 4.623 5.888 -22.599 328 HG2 GLU 43 HG2 GLU 43 2.613 4.509 -22.742 329 HG3 GLU 43 HG3 GLU 43 1.824 5.539 -21.549 330 H GLY 44 H GLY 44 2.683 3.365 -19.751 331 HA2 GLY 44 HA2 GLY 44 1.897 1.288 -20.443 332 HA3 GLY 44 HA3 GLY 44 3.032 1.336 -21.784 333 H GLU 45 H GLU 45 4.632 2.058 -18.944 334 HA GLU 45 HA GLU 45 5.678 -0.680 -18.802 335 HB2 GLU 45 HB2 GLU 45 7.282 1.154 -19.276 336 HB3 GLU 45 HB3 GLU 45 6.879 1.876 -17.725 337 HG2 GLU 45 HG2 GLU 45 8.030 0.317 -16.535 338 HG3 GLU 45 HG3 GLU 45 7.788 -0.945 -17.742 339 H HIS 46 H HIS 46 6.271 -1.523 -16.668 340 HA HIS 46 HA HIS 46 4.145 -1.013 -14.761 341 HB2 HIS 46 HB2 HIS 46 6.370 -3.009 -14.407 342 HB3 HIS 46 HB3 HIS 46 4.740 -3.054 -13.742 343 HD1 HIS 46 HD1 HIS 46 3.000 -4.277 -15.068 344 HD2 HIS 46 HD2 HIS 46 6.475 -3.600 -17.241 345 HE1 HIS 46 HE1 HIS 46 2.722 -5.578 -17.202 346 H VAL 47 H VAL 47 4.390 -0.222 -12.710 347 HA VAL 47 HA VAL 47 6.994 0.294 -11.590 348 HB VAL 47 HB VAL 47 6.430 2.781 -11.292 349 HG11 VAL 47 HG11 VAL 47 7.023 2.356 -14.148 350 HG12 VAL 47 HG12 VAL 47 7.928 3.240 -12.917 351 HG13 VAL 47 HG13 VAL 47 8.047 1.483 -13.009 352 HG21 VAL 47 HG21 VAL 47 4.796 3.769 -12.496 353 HG22 VAL 47 HG22 VAL 47 5.022 2.700 -13.881 354 HG23 VAL 47 HG23 VAL 47 4.096 2.150 -12.484 355 H GLU 48 H GLU 48 6.931 0.546 -9.396 356 HA GLU 48 HA GLU 48 4.302 0.217 -8.153 357 HB2 GLU 48 HB2 GLU 48 5.754 -1.467 -7.410 358 HB3 GLU 48 HB3 GLU 48 7.111 -0.360 -7.263 359 HG2 GLU 48 HG2 GLU 48 6.097 0.679 -5.328 360 HG3 GLU 48 HG3 GLU 48 4.674 -0.347 -5.498 361 H PHE 49 H PHE 49 3.346 1.818 -7.092 362 HA PHE 49 HA PHE 49 4.989 4.116 -6.252 363 HB2 PHE 49 HB2 PHE 49 2.919 5.496 -6.602 364 HB3 PHE 49 HB3 PHE 49 3.600 4.820 -8.077 365 HD1 PHE 49 HD1 PHE 49 2.519 2.834 -9.126 366 HD2 PHE 49 HD2 PHE 49 0.733 4.966 -5.904 367 HE1 PHE 49 HE1 PHE 49 0.342 1.824 -9.669 368 HE2 PHE 49 HE2 PHE 49 -1.447 3.959 -6.442 369 HZ PHE 49 HZ PHE 49 -1.644 2.387 -8.327 370 H GLU 50 H GLU 50 4.533 5.081 -4.276 371 HA GLU 50 HA GLU 50 2.903 3.434 -2.466 372 HB2 GLU 50 HB2 GLU 50 5.342 5.127 -2.069 373 HB3 GLU 50 HB3 GLU 50 4.265 4.828 -0.712 374 HG2 GLU 50 HG2 GLU 50 6.259 3.280 -0.992 375 HG3 GLU 50 HG3 GLU 50 4.684 2.535 -0.728 376 H VAL 51 H VAL 51 0.888 4.300 -2.602 377 HA VAL 51 HA VAL 51 0.296 7.044 -2.834 378 HB VAL 51 HB VAL 51 -1.991 6.462 -2.282 379 HG11 VAL 51 HG11 VAL 51 -2.279 5.532 -4.285 380 HG12 VAL 51 HG12 VAL 51 -0.521 5.410 -4.384 381 HG13 VAL 51 HG13 VAL 51 -1.469 4.046 -3.790 382 HG21 VAL 51 HG21 VAL 51 -2.471 4.023 -1.714 383 HG22 VAL 51 HG22 VAL 51 -0.764 3.906 -1.286 384 HG23 VAL 51 HG23 VAL 51 -1.814 5.032 -0.425 385 H GLU 52 H GLU 52 0.393 8.627 -1.391 386 HA GLU 52 HA GLU 52 0.413 7.916 1.469 387 HB2 GLU 52 HB2 GLU 52 2.039 9.834 -0.119 388 HB3 GLU 52 HB3 GLU 52 1.589 10.317 1.510 389 HG2 GLU 52 HG2 GLU 52 3.157 7.885 0.697 390 HG3 GLU 52 HG3 GLU 52 3.739 9.291 1.588 391 HA PRO 53 HA PRO 53 -3.045 10.508 2.214 392 HB2 PRO 53 HB2 PRO 53 -2.408 11.675 4.581 393 HB3 PRO 53 HB3 PRO 53 -2.852 9.970 4.439 394 HG2 PRO 53 HG2 PRO 53 -0.135 11.211 4.637 395 HG3 PRO 53 HG3 PRO 53 -0.766 9.764 5.446 396 HD2 PRO 53 HD2 PRO 53 0.821 9.633 3.256 397 HD3 PRO 53 HD3 PRO 53 -0.444 8.433 3.592 398 H GLY 54 H GLY 54 -0.889 12.652 3.922 399 HA2 GLY 54 HA2 GLY 54 -1.778 14.891 2.352 400 HA3 GLY 54 HA3 GLY 54 -0.648 14.941 3.698 401 H ARG 55 H ARG 55 -0.691 13.471 0.446 402 HA ARG 55 HA ARG 55 1.872 14.813 -0.086 403 HB2 ARG 55 HB2 ARG 55 1.249 11.936 -0.117 404 HB3 ARG 55 HB3 ARG 55 2.096 12.518 -1.544 405 HG2 ARG 55 HG2 ARG 55 3.020 12.906 1.295 406 HG3 ARG 55 HG3 ARG 55 3.618 11.671 0.184 407 HD2 ARG 55 HD2 ARG 55 4.954 13.120 -0.869 408 HD3 ARG 55 HD3 ARG 55 3.692 14.348 -0.954 409 HE ARG 55 HE ARG 55 4.693 14.165 1.680 410 HH11 ARG 55 HH11 ARG 55 5.555 15.311 -1.492 411 HH12 ARG 55 HH12 ARG 55 6.611 16.550 -0.901 412 HH21 ARG 55 HH21 ARG 55 6.081 15.793 2.472 413 HH22 ARG 55 HH22 ARG 55 6.910 16.823 1.354 414 H GLY 56 H GLY 56 -0.991 13.233 -1.442 415 HA2 GLY 56 HA2 GLY 56 -0.491 14.560 -4.014 416 HA3 GLY 56 HA3 GLY 56 -1.629 13.250 -3.738 417 H GLY 57 H GLY 57 -1.766 16.127 -4.840 418 HA2 GLY 57 HA2 GLY 57 -3.247 17.809 -3.252 419 HA3 GLY 57 HA3 GLY 57 -3.456 17.680 -4.992 420 H LYS 58 H LYS 58 -4.361 14.942 -4.962 421 HA LYS 58 HA LYS 58 -7.116 15.443 -4.153 422 HB2 LYS 58 HB2 LYS 58 -5.845 13.286 -5.842 423 HB3 LYS 58 HB3 LYS 58 -7.553 13.305 -5.423 424 HG2 LYS 58 HG2 LYS 58 -6.329 15.692 -6.728 425 HG3 LYS 58 HG3 LYS 58 -6.750 14.277 -7.696 426 HD2 LYS 58 HD2 LYS 58 -8.767 15.265 -7.834 427 HD3 LYS 58 HD3 LYS 58 -9.007 14.588 -6.222 428 HE2 LYS 58 HE2 LYS 58 -8.844 16.604 -5.208 429 HE3 LYS 58 HE3 LYS 58 -7.629 17.194 -6.342 430 HZ1 LYS 58 HZ1 LYS 58 -9.225 18.344 -7.326 431 HZ2 LYS 58 HZ2 LYS 58 -10.412 17.663 -6.331 432 HZ3 LYS 58 HZ3 LYS 58 -9.980 16.899 -7.778 433 H GLY 59 H GLY 59 -4.363 13.612 -3.176 434 HA2 GLY 59 HA2 GLY 59 -4.919 12.971 -0.684 435 HA3 GLY 59 HA3 GLY 59 -5.972 11.828 -1.505 436 HA PRO 60 HA PRO 60 -2.632 8.981 -1.593 437 HB2 PRO 60 HB2 PRO 60 -3.417 7.423 -3.674 438 HB3 PRO 60 HB3 PRO 60 -4.200 7.376 -2.090 439 HG2 PRO 60 HG2 PRO 60 -5.053 8.795 -4.584 440 HG3 PRO 60 HG3 PRO 60 -6.033 7.866 -3.435 441 HD2 PRO 60 HD2 PRO 60 -5.940 10.573 -3.416 442 HD3 PRO 60 HD3 PRO 60 -6.161 9.615 -1.938 443 H GLN 61 H GLN 61 -0.679 9.652 -2.241 444 HA GLN 61 HA GLN 61 -0.284 10.213 -5.107 445 HB2 GLN 61 HB2 GLN 61 0.155 12.278 -4.198 446 HB3 GLN 61 HB3 GLN 61 0.712 11.608 -2.671 447 HG2 GLN 61 HG2 GLN 61 2.814 10.989 -3.641 448 HG3 GLN 61 HG3 GLN 61 2.257 11.459 -5.247 449 HE21 GLN 61 HE21 GLN 61 1.491 13.791 -5.364 450 HE22 GLN 61 HE22 GLN 61 2.488 14.961 -4.577 451 H ALA 62 H ALA 62 1.841 9.697 -5.961 452 HA ALA 62 HA ALA 62 2.756 7.143 -5.006 453 HB1 ALA 62 HB1 ALA 62 4.384 7.392 -6.951 454 HB2 ALA 62 HB2 ALA 62 2.665 7.328 -7.343 455 HB3 ALA 62 HB3 ALA 62 3.512 8.875 -7.340 456 H LYS 63 H LYS 63 3.283 8.552 -2.909 457 HA LYS 63 HA LYS 63 5.438 10.176 -2.609 458 HB2 LYS 63 HB2 LYS 63 4.015 9.469 -0.745 459 HB3 LYS 63 HB3 LYS 63 4.700 7.851 -0.821 460 HG2 LYS 63 HG2 LYS 63 6.917 9.465 -0.558 461 HG3 LYS 63 HG3 LYS 63 5.712 10.244 0.470 462 HD2 LYS 63 HD2 LYS 63 7.027 8.593 1.714 463 HD3 LYS 63 HD3 LYS 63 5.323 8.137 1.634 464 HE2 LYS 63 HE2 LYS 63 5.726 6.424 0.116 465 HE3 LYS 63 HE3 LYS 63 7.269 7.107 -0.395 466 HZ1 LYS 63 HZ1 LYS 63 6.975 6.234 2.389 467 HZ2 LYS 63 HZ2 LYS 63 8.351 6.250 1.405 468 HZ3 LYS 63 HZ3 LYS 63 7.174 5.054 1.193 469 H LYS 64 H LYS 64 5.494 6.688 -3.104 470 HA LYS 64 HA LYS 64 8.382 6.883 -3.619 471 HB2 LYS 64 HB2 LYS 64 7.156 5.451 -1.499 472 HB3 LYS 64 HB3 LYS 64 7.741 4.263 -2.656 473 HG2 LYS 64 HG2 LYS 64 9.965 5.398 -2.574 474 HG3 LYS 64 HG3 LYS 64 9.339 6.393 -1.257 475 HD2 LYS 64 HD2 LYS 64 10.367 4.693 -0.090 476 HD3 LYS 64 HD3 LYS 64 8.714 4.084 -0.201 477 HE2 LYS 64 HE2 LYS 64 9.995 2.244 -0.807 478 HE3 LYS 64 HE3 LYS 64 9.525 2.931 -2.361 479 HZ1 LYS 64 HZ1 LYS 64 11.711 2.767 -2.772 480 HZ2 LYS 64 HZ2 LYS 64 12.145 2.744 -1.138 481 HZ3 LYS 64 HZ3 LYS 64 11.816 4.216 -1.904 482 H VAL 65 H VAL 65 8.490 6.630 -5.764 483 HA VAL 65 HA VAL 65 6.883 4.500 -7.009 484 HB VAL 65 HB VAL 65 7.577 7.188 -7.851 485 HG11 VAL 65 HG11 VAL 65 7.977 6.610 -10.235 486 HG12 VAL 65 HG12 VAL 65 9.306 6.159 -9.165 487 HG13 VAL 65 HG13 VAL 65 8.187 4.927 -9.751 488 HG21 VAL 65 HG21 VAL 65 5.332 5.846 -7.737 489 HG22 VAL 65 HG22 VAL 65 5.587 7.050 -9.000 490 HG23 VAL 65 HG23 VAL 65 5.790 5.336 -9.363 491 H ARG 66 H ARG 66 7.840 2.932 -8.250 492 HA ARG 66 HA ARG 66 10.773 2.972 -8.452 493 HB2 ARG 66 HB2 ARG 66 9.013 0.861 -7.272 494 HB3 ARG 66 HB3 ARG 66 10.486 0.378 -8.102 495 HG2 ARG 66 HG2 ARG 66 10.731 2.527 -6.086 496 HG3 ARG 66 HG3 ARG 66 10.396 0.899 -5.494 497 HD2 ARG 66 HD2 ARG 66 12.332 0.113 -6.901 498 HD3 ARG 66 HD3 ARG 66 12.719 1.811 -7.178 499 HE ARG 66 HE ARG 66 13.538 1.946 -5.038 500 HH11 ARG 66 HH11 ARG 66 11.735 -1.010 -5.410 501 HH12 ARG 66 HH12 ARG 66 12.240 -1.663 -3.887 502 HH21 ARG 66 HH21 ARG 66 14.209 1.097 -3.030 503 HH22 ARG 66 HH22 ARG 66 13.647 -0.463 -2.533 504 H ARG 67 H ARG 67 11.638 2.066 -10.290 505 HA ARG 67 HA ARG 67 9.852 1.821 -12.531 506 HB2 ARG 67 HB2 ARG 67 11.914 1.511 -13.847 507 HB3 ARG 67 HB3 ARG 67 11.995 2.934 -12.816 508 HG2 ARG 67 HG2 ARG 67 14.014 2.131 -12.278 509 HG3 ARG 67 HG3 ARG 67 13.103 1.078 -11.194 510 HD2 ARG 67 HD2 ARG 67 14.354 -0.487 -12.288 511 HD3 ARG 67 HD3 ARG 67 12.951 -0.430 -13.354 512 HE ARG 67 HE ARG 67 14.304 0.386 -14.997 513 HH11 ARG 67 HH11 ARG 67 15.847 0.916 -11.922 514 HH12 ARG 67 HH12 ARG 67 17.316 1.518 -12.616 515 HH21 ARG 67 HH21 ARG 67 16.233 1.176 -15.923 516 HH22 ARG 67 HH22 ARG 67 17.534 1.666 -14.892 517 H ILE 68 H ILE 68 9.187 0.014 -13.548 518 HA ILE 68 HA ILE 68 10.400 -2.554 -12.833 519 HB ILE 68 HB ILE 68 7.407 -2.235 -12.891 520 HG12 ILE 68 HG12 ILE 68 8.491 -0.878 -11.051 521 HG13 ILE 68 HG13 ILE 68 7.363 -2.115 -10.508 522 HG21 ILE 68 HG21 ILE 68 7.801 -4.384 -11.411 523 HG22 ILE 68 HG22 ILE 68 7.797 -4.467 -13.172 524 HG23 ILE 68 HG23 ILE 68 9.326 -4.424 -12.295 525 HD11 ILE 68 HD11 ILE 68 10.168 -2.964 -10.686 526 HD12 ILE 68 HD12 ILE 68 9.814 -1.737 -9.469 527 HD13 ILE 68 HD13 ILE 68 8.956 -3.278 -9.444 Start of MODEL 7 1 H1 MET 1 H MET 1 1.094 1.966 -0.210 2 HA MET 1 HA MET 1 2.936 0.577 -1.699 3 HB2 MET 1 HB2 MET 1 2.114 0.266 0.765 4 HB3 MET 1 HB3 MET 1 1.031 -0.927 0.060 5 HG2 MET 1 HG2 MET 1 3.266 -1.795 -1.037 6 HG3 MET 1 HG3 MET 1 3.982 -0.976 0.350 7 HE1 MET 1 HE1 MET 1 2.336 -1.161 2.635 8 HE2 MET 1 HE2 MET 1 2.314 -2.769 3.358 9 HE3 MET 1 HE3 MET 1 3.850 -2.023 2.910 10 H LYS 2 H LYS 2 1.626 1.004 -3.802 11 HA LYS 2 HA LYS 2 0.227 -1.499 -4.460 12 HB2 LYS 2 HB2 LYS 2 -0.530 1.290 -5.345 13 HB3 LYS 2 HB3 LYS 2 -1.220 -0.183 -6.013 14 HG2 LYS 2 HG2 LYS 2 -1.420 0.724 -3.148 15 HG3 LYS 2 HG3 LYS 2 -2.698 0.810 -4.363 16 HD2 LYS 2 HD2 LYS 2 -2.407 -1.720 -4.588 17 HD3 LYS 2 HD3 LYS 2 -1.481 -1.626 -3.088 18 HE2 LYS 2 HE2 LYS 2 -3.545 -2.017 -2.211 19 HE3 LYS 2 HE3 LYS 2 -3.614 -0.258 -2.303 20 HZ1 LYS 2 HZ1 LYS 2 -5.583 -1.544 -3.209 21 HZ2 LYS 2 HZ2 LYS 2 -4.589 -1.971 -4.508 22 HZ3 LYS 2 HZ3 LYS 2 -4.937 -0.343 -4.209 23 H LYS 3 H LYS 3 0.434 -2.203 -6.641 24 HA LYS 3 HA LYS 3 2.628 -0.922 -8.132 25 HB2 LYS 3 HB2 LYS 3 2.160 -3.902 -8.001 26 HB3 LYS 3 HB3 LYS 3 3.528 -3.064 -8.722 27 HG2 LYS 3 HG2 LYS 3 3.802 -2.158 -6.249 28 HG3 LYS 3 HG3 LYS 3 2.944 -3.656 -5.877 29 HD2 LYS 3 HD2 LYS 3 5.305 -3.679 -7.719 30 HD3 LYS 3 HD3 LYS 3 5.539 -3.661 -5.969 31 HE2 LYS 3 HE2 LYS 3 3.721 -5.620 -6.151 32 HE3 LYS 3 HE3 LYS 3 4.485 -5.793 -7.730 33 HZ1 LYS 3 HZ1 LYS 3 5.767 -7.149 -6.412 34 HZ2 LYS 3 HZ2 LYS 3 5.659 -6.144 -5.056 35 HZ3 LYS 3 HZ3 LYS 3 6.655 -5.710 -6.352 36 H GLY 4 H GLY 4 2.289 -0.596 -10.260 37 HA2 GLY 4 HA2 GLY 4 0.493 -2.161 -11.829 38 HA3 GLY 4 HA3 GLY 4 -0.236 -0.627 -11.377 39 H THR 5 H THR 5 0.031 -1.063 -13.989 40 HA THR 5 HA THR 5 2.542 0.009 -14.958 41 HB THR 5 HB THR 5 1.481 -0.177 -17.207 42 HG1 THR 5 HG1 THR 5 -0.734 -0.019 -16.106 43 HG21 THR 5 HG21 THR 5 0.922 -2.843 -16.532 44 HG22 THR 5 HG22 THR 5 2.153 -2.304 -15.389 45 HG23 THR 5 HG23 THR 5 2.447 -2.184 -17.124 46 H VAL 6 H VAL 6 2.857 2.005 -15.886 47 HA VAL 6 HA VAL 6 1.065 4.093 -15.033 48 HB VAL 6 HB VAL 6 3.726 4.062 -15.305 49 HG11 VAL 6 HG11 VAL 6 3.567 3.828 -17.768 50 HG12 VAL 6 HG12 VAL 6 2.787 5.410 -17.834 51 HG13 VAL 6 HG13 VAL 6 4.449 5.267 -17.259 52 HG21 VAL 6 HG21 VAL 6 3.246 6.716 -15.744 53 HG22 VAL 6 HG22 VAL 6 1.682 6.151 -15.154 54 HG23 VAL 6 HG23 VAL 6 3.132 5.909 -14.180 55 H LYS 7 H LYS 7 -0.131 5.474 -16.311 56 HA LYS 7 HA LYS 7 -0.755 4.456 -18.985 57 HB2 LYS 7 HB2 LYS 7 -2.435 5.102 -16.989 58 HB3 LYS 7 HB3 LYS 7 -2.341 6.663 -17.793 59 HG2 LYS 7 HG2 LYS 7 -2.909 4.191 -19.372 60 HG3 LYS 7 HG3 LYS 7 -4.194 4.990 -18.464 61 HD2 LYS 7 HD2 LYS 7 -4.310 6.703 -19.913 62 HD3 LYS 7 HD3 LYS 7 -2.555 6.809 -20.072 63 HE2 LYS 7 HE2 LYS 7 -3.066 6.112 -22.178 64 HE3 LYS 7 HE3 LYS 7 -2.918 4.539 -21.395 65 HZ1 LYS 7 HZ1 LYS 7 -5.509 5.201 -20.970 66 HZ2 LYS 7 HZ2 LYS 7 -4.952 4.175 -22.193 67 HZ3 LYS 7 HZ3 LYS 7 -5.233 5.810 -22.524 68 H TRP 8 H TRP 8 0.467 7.273 -17.317 69 HA TRP 8 HA TRP 8 1.741 8.294 -19.611 70 HB2 TRP 8 HB2 TRP 8 0.431 10.110 -20.264 71 HB3 TRP 8 HB3 TRP 8 -0.766 8.847 -19.996 72 HD1 TRP 8 HD1 TRP 8 0.654 11.991 -18.260 73 HE1 TRP 8 HE1 TRP 8 -1.154 12.919 -16.680 74 HE3 TRP 8 HE3 TRP 8 -2.844 8.298 -18.772 75 HZ2 TRP 8 HZ2 TRP 8 -3.723 12.182 -15.770 76 HZ3 TRP 8 HZ3 TRP 8 -4.949 8.485 -17.512 77 HH2 TRP 8 HH2 TRP 8 -5.377 10.387 -16.042 78 H PHE 9 H PHE 9 3.282 9.758 -19.055 79 HA PHE 9 HA PHE 9 3.108 11.041 -16.425 80 HB2 PHE 9 HB2 PHE 9 4.421 9.105 -15.950 81 HB3 PHE 9 HB3 PHE 9 5.380 9.316 -17.411 82 HD1 PHE 9 HD1 PHE 9 4.688 10.711 -14.064 83 HD2 PHE 9 HD2 PHE 9 7.294 10.689 -17.430 84 HE1 PHE 9 HE1 PHE 9 6.350 11.993 -12.781 85 HE2 PHE 9 HE2 PHE 9 8.961 11.971 -16.151 86 HZ PHE 9 HZ PHE 9 8.489 12.626 -13.825 87 H ASN 10 H ASN 10 2.932 13.093 -17.177 88 HA ASN 10 HA ASN 10 4.450 14.089 -19.380 89 HB2 ASN 10 HB2 ASN 10 2.364 15.071 -17.597 90 HB3 ASN 10 HB3 ASN 10 3.569 16.305 -17.954 91 HD21 ASN 10 HD21 ASN 10 2.327 17.560 -19.251 92 HD22 ASN 10 HD22 ASN 10 1.724 17.052 -20.789 93 H ALA 11 H ALA 11 6.538 14.555 -19.329 94 HA ALA 11 HA ALA 11 7.880 15.038 -16.799 95 HB1 ALA 11 HB1 ALA 11 9.066 13.572 -18.194 96 HB2 ALA 11 HB2 ALA 11 8.850 14.605 -19.608 97 HB3 ALA 11 HB3 ALA 11 9.933 15.104 -18.308 98 H GLU 12 H GLU 12 6.611 16.842 -19.427 99 HA GLU 12 HA GLU 12 8.279 19.099 -19.378 100 HB2 GLU 12 HB2 GLU 12 5.491 18.552 -20.286 101 HB3 GLU 12 HB3 GLU 12 6.002 20.228 -20.140 102 HG2 GLU 12 HG2 GLU 12 7.445 20.092 -21.882 103 HG3 GLU 12 HG3 GLU 12 7.800 18.389 -21.601 104 H LYS 13 H LYS 13 5.135 18.583 -17.778 105 HA LYS 13 HA LYS 13 5.495 20.958 -16.163 106 HB2 LYS 13 HB2 LYS 13 3.315 18.871 -16.263 107 HB3 LYS 13 HB3 LYS 13 3.294 20.245 -15.165 108 HG2 LYS 13 HG2 LYS 13 3.250 21.781 -17.032 109 HG3 LYS 13 HG3 LYS 13 3.378 20.437 -18.170 110 HD2 LYS 13 HD2 LYS 13 1.072 21.221 -17.988 111 HD3 LYS 13 HD3 LYS 13 1.230 19.568 -17.390 112 HE2 LYS 13 HE2 LYS 13 -0.183 20.883 -15.912 113 HE3 LYS 13 HE3 LYS 13 1.305 20.413 -15.092 114 HZ1 LYS 13 HZ1 LYS 13 1.770 22.869 -16.314 115 HZ2 LYS 13 HZ2 LYS 13 1.663 22.539 -14.659 116 HZ3 LYS 13 HZ3 LYS 13 0.281 22.997 -15.521 117 H GLY 14 H GLY 14 5.652 17.466 -15.771 118 HA2 GLY 14 HA2 GLY 14 7.119 16.482 -14.159 119 HA3 GLY 14 HA3 GLY 14 6.902 17.901 -13.145 120 H TYR 15 H TYR 15 4.388 15.991 -14.735 121 HA TYR 15 HA TYR 15 3.579 14.867 -12.164 122 HB2 TYR 15 HB2 TYR 15 1.382 15.718 -12.212 123 HB3 TYR 15 HB3 TYR 15 2.402 17.102 -12.590 124 HD1 TYR 15 HD2 TYR 15 2.918 17.162 -15.306 125 HD2 TYR 15 HD1 TYR 15 -0.579 15.653 -13.409 126 HE1 TYR 15 HE2 TYR 15 1.638 17.548 -17.371 127 HE2 TYR 15 HE1 TYR 15 -1.868 16.033 -15.469 128 HH TYR 15 HH TYR 15 -1.738 16.541 -17.655 129 H GLY 16 H GLY 16 1.835 13.230 -12.418 130 HA2 GLY 16 HA2 GLY 16 1.210 12.198 -15.003 131 HA3 GLY 16 HA3 GLY 16 2.492 11.267 -14.243 132 H PHE 17 H PHE 17 0.375 9.837 -14.787 133 HA PHE 17 HA PHE 17 -0.825 9.362 -12.163 134 HB2 PHE 17 HB2 PHE 17 -2.358 9.749 -14.733 135 HB3 PHE 17 HB3 PHE 17 -3.038 8.908 -13.344 136 HD1 PHE 17 HD2 PHE 17 -1.594 12.144 -14.428 137 HD2 PHE 17 HD1 PHE 17 -4.014 10.096 -11.589 138 HE1 PHE 17 HE2 PHE 17 -2.292 14.301 -13.473 139 HE2 PHE 17 HE1 PHE 17 -4.717 12.250 -10.630 140 HZ PHE 17 HZ PHE 17 -3.857 14.356 -11.572 141 H ILE 18 H ILE 18 -0.749 7.280 -11.622 142 HA ILE 18 HA ILE 18 0.007 5.340 -13.680 143 HB ILE 18 HB ILE 18 0.029 5.051 -10.674 144 HG12 ILE 18 HG12 ILE 18 2.479 5.192 -12.392 145 HG13 ILE 18 HG13 ILE 18 1.667 6.683 -11.925 146 HG21 ILE 18 HG21 ILE 18 1.534 3.082 -11.267 147 HG22 ILE 18 HG22 ILE 18 -0.194 2.890 -11.562 148 HG23 ILE 18 HG23 ILE 18 0.896 3.237 -12.904 149 HD11 ILE 18 HD11 ILE 18 3.256 6.446 -10.282 150 HD12 ILE 18 HD12 ILE 18 1.839 5.715 -9.527 151 HD13 ILE 18 HD13 ILE 18 3.092 4.691 -10.227 152 H GLN 19 H GLN 19 -1.072 3.367 -13.942 153 HA GLN 19 HA GLN 19 -3.779 3.270 -12.781 154 HB2 GLN 19 HB2 GLN 19 -2.835 2.898 -15.580 155 HB3 GLN 19 HB3 GLN 19 -4.166 1.891 -15.026 156 HG2 GLN 19 HG2 GLN 19 -4.462 4.326 -16.136 157 HG3 GLN 19 HG3 GLN 19 -5.624 3.588 -15.035 158 HE21 GLN 19 HE21 GLN 19 -3.139 5.980 -15.405 159 HE22 GLN 19 HE22 GLN 19 -3.453 6.832 -13.935 160 H GLN 20 H GLN 20 -4.009 1.614 -11.445 161 HA GLN 20 HA GLN 20 -2.193 -0.634 -11.543 162 HB2 GLN 20 HB2 GLN 20 -3.474 0.654 -9.498 163 HB3 GLN 20 HB3 GLN 20 -4.471 -0.782 -9.692 164 HG2 GLN 20 HG2 GLN 20 -2.262 -2.082 -9.611 165 HG3 GLN 20 HG3 GLN 20 -1.575 -0.591 -8.967 166 HE21 GLN 20 HE21 GLN 20 -3.462 0.357 -7.332 167 HE22 GLN 20 HE22 GLN 20 -3.791 -0.754 -6.051 168 H GLU 21 H GLU 21 -3.760 -2.722 -10.670 169 HA GLU 21 HA GLU 21 -4.609 -3.945 -12.966 170 HB2 GLU 21 HB2 GLU 21 -5.779 -5.546 -11.575 171 HB3 GLU 21 HB3 GLU 21 -4.265 -5.094 -10.805 172 HG2 GLU 21 HG2 GLU 21 -5.705 -3.377 -9.520 173 HG3 GLU 21 HG3 GLU 21 -7.060 -4.382 -10.032 174 H GLU 22 H GLU 22 -6.417 -1.780 -10.884 175 HA GLU 22 HA GLU 22 -8.770 -2.078 -12.621 176 HB2 GLU 22 HB2 GLU 22 -8.617 -0.713 -9.931 177 HB3 GLU 22 HB3 GLU 22 -10.072 -1.099 -10.840 178 HG2 GLU 22 HG2 GLU 22 -9.195 -3.550 -10.635 179 HG3 GLU 22 HG3 GLU 22 -8.278 -2.893 -9.281 180 H GLY 23 H GLY 23 -6.192 0.012 -11.839 181 HA2 GLY 23 HA2 GLY 23 -5.619 2.106 -12.581 182 HA3 GLY 23 HA3 GLY 23 -6.789 1.853 -13.868 183 HA PRO 24 HA PRO 24 -9.268 3.893 -10.256 184 HB2 PRO 24 HB2 PRO 24 -7.841 4.720 -8.099 185 HB3 PRO 24 HB3 PRO 24 -8.551 3.106 -8.220 186 HG2 PRO 24 HG2 PRO 24 -5.733 3.979 -8.728 187 HG3 PRO 24 HG3 PRO 24 -6.322 2.544 -7.869 188 HD2 PRO 24 HD2 PRO 24 -5.436 2.450 -10.426 189 HD3 PRO 24 HD3 PRO 24 -6.721 1.385 -9.821 190 H ASP 25 H ASP 25 -6.462 5.577 -9.078 191 HA ASP 25 HA ASP 25 -5.996 7.480 -11.003 192 HB2 ASP 25 HB2 ASP 25 -7.401 9.395 -9.900 193 HB3 ASP 25 HB3 ASP 25 -8.150 8.332 -11.088 194 H VAL 26 H VAL 26 -3.967 7.300 -10.053 195 HA VAL 26 HA VAL 26 -3.685 8.419 -7.346 196 HB VAL 26 HB VAL 26 -2.651 6.088 -8.311 197 HG11 VAL 26 HG11 VAL 26 -0.341 8.015 -8.349 198 HG12 VAL 26 HG12 VAL 26 -0.349 6.308 -8.799 199 HG13 VAL 26 HG13 VAL 26 -1.174 7.493 -9.813 200 HG21 VAL 26 HG21 VAL 26 -2.825 6.959 -5.953 201 HG22 VAL 26 HG22 VAL 26 -1.387 5.999 -6.303 202 HG23 VAL 26 HG23 VAL 26 -1.274 7.757 -6.217 203 H PHE 27 H PHE 27 -2.264 10.092 -6.938 204 HA PHE 27 HA PHE 27 -1.482 11.643 -9.297 205 HB2 PHE 27 HB2 PHE 27 -2.900 12.596 -7.362 206 HB3 PHE 27 HB3 PHE 27 -1.391 12.632 -6.456 207 HD1 PHE 27 HD2 PHE 27 -3.082 13.915 -9.482 208 HD2 PHE 27 HD1 PHE 27 0.182 14.344 -6.784 209 HE1 PHE 27 HE2 PHE 27 -2.530 16.085 -10.501 210 HE2 PHE 27 HE1 PHE 27 0.739 16.516 -7.798 211 HZ PHE 27 HZ PHE 27 -0.618 17.389 -9.659 212 H VAL 28 H VAL 28 0.556 11.601 -9.948 213 HA VAL 28 HA VAL 28 2.680 11.233 -7.944 214 HB VAL 28 HB VAL 28 3.801 9.630 -9.159 215 HG11 VAL 28 HG11 VAL 28 2.356 7.890 -9.250 216 HG12 VAL 28 HG12 VAL 28 1.257 9.068 -8.530 217 HG13 VAL 28 HG13 VAL 28 1.204 8.757 -10.266 218 HG21 VAL 28 HG21 VAL 28 4.020 10.735 -11.248 219 HG22 VAL 28 HG22 VAL 28 3.298 9.161 -11.583 220 HG23 VAL 28 HG23 VAL 28 2.291 10.609 -11.573 221 H HIS 29 H HIS 29 4.555 12.385 -8.268 222 HA HIS 29 HA HIS 29 4.528 14.283 -10.523 223 HB2 HIS 29 HB2 HIS 29 4.955 14.685 -7.629 224 HB3 HIS 29 HB3 HIS 29 6.090 15.529 -8.679 225 HD1 HIS 29 HD1 HIS 29 4.925 17.735 -7.739 226 HD2 HIS 29 HD2 HIS 29 2.547 15.317 -10.139 227 HE1 HIS 29 HE1 HIS 29 2.976 19.172 -8.419 228 H PHE 30 H PHE 30 6.607 14.966 -11.322 229 HA PHE 30 HA PHE 30 8.362 12.883 -11.856 230 HB2 PHE 30 HB2 PHE 30 9.726 14.462 -12.953 231 HB3 PHE 30 HB3 PHE 30 8.099 15.122 -13.077 232 HD1 PHE 30 HD2 PHE 30 7.464 16.669 -10.964 233 HD2 PHE 30 HD1 PHE 30 11.391 15.938 -12.434 234 HE1 PHE 30 HE2 PHE 30 8.236 18.766 -9.935 235 HE2 PHE 30 HE1 PHE 30 12.170 18.033 -11.406 236 HZ PHE 30 HZ PHE 30 10.592 19.451 -10.155 237 H THR 31 H THR 31 8.212 15.015 -9.142 238 HA THR 31 HA THR 31 10.887 14.276 -8.233 239 HB THR 31 HB THR 31 10.158 15.780 -6.232 240 HG1 THR 31 HG1 THR 31 8.466 17.126 -6.638 241 HG21 THR 31 HG21 THR 31 11.057 16.476 -8.952 242 HG22 THR 31 HG22 THR 31 11.792 16.830 -7.389 243 HG23 THR 31 HG23 THR 31 10.461 17.823 -7.982 244 H ALA 32 H ALA 32 8.523 12.409 -8.368 245 HA ALA 32 HA ALA 32 8.583 11.562 -5.545 246 HB1 ALA 32 HB1 ALA 32 6.318 10.503 -6.062 247 HB2 ALA 32 HB2 ALA 32 6.370 12.256 -5.871 248 HB3 ALA 32 HB3 ALA 32 6.291 11.546 -7.484 249 H ILE 33 H ILE 33 9.620 10.855 -8.575 250 HA ILE 33 HA ILE 33 9.275 7.965 -8.389 251 HB ILE 33 HB ILE 33 10.558 9.682 -10.515 252 HG12 ILE 33 HG12 ILE 33 8.530 8.439 -11.748 253 HG13 ILE 33 HG13 ILE 33 7.875 8.463 -10.114 254 HG21 ILE 33 HG21 ILE 33 10.087 7.160 -11.572 255 HG22 ILE 33 HG22 ILE 33 11.653 7.853 -11.151 256 HG23 ILE 33 HG23 ILE 33 10.790 6.849 -9.985 257 HD11 ILE 33 HD11 ILE 33 8.210 10.629 -12.039 258 HD12 ILE 33 HD12 ILE 33 7.092 10.469 -10.684 259 HD13 ILE 33 HD13 ILE 33 8.742 11.027 -10.406 260 H GLU 34 H GLU 34 10.797 6.597 -7.696 261 HA GLU 34 HA GLU 34 13.468 7.696 -7.121 262 HB2 GLU 34 HB2 GLU 34 12.156 5.330 -5.780 263 HB3 GLU 34 HB3 GLU 34 13.649 6.125 -5.305 264 HG2 GLU 34 HG2 GLU 34 11.532 8.043 -5.380 265 HG3 GLU 34 HG3 GLU 34 11.042 6.654 -4.411 266 H ALA 35 H ALA 35 14.275 7.197 -9.197 267 HA ALA 35 HA ALA 35 14.582 4.316 -9.737 268 HB1 ALA 35 HB1 ALA 35 14.826 6.531 -11.761 269 HB2 ALA 35 HB2 ALA 35 14.732 4.795 -12.061 270 HB3 ALA 35 HB3 ALA 35 13.325 5.661 -11.442 271 H ASP 36 H ASP 36 16.629 3.959 -11.187 272 HA ASP 36 HA ASP 36 18.873 4.883 -9.616 273 HB2 ASP 36 HB2 ASP 36 19.167 3.190 -12.071 274 HB3 ASP 36 HB3 ASP 36 20.096 3.155 -10.575 275 H GLY 37 H GLY 37 18.568 7.155 -10.306 276 HA2 GLY 37 HA2 GLY 37 20.240 8.566 -11.496 277 HA3 GLY 37 HA3 GLY 37 19.838 7.635 -12.931 278 H PHE 38 H PHE 38 18.521 8.617 -14.298 279 HA PHE 38 HA PHE 38 17.193 11.041 -13.633 280 HB2 PHE 38 HB2 PHE 38 16.832 9.287 -16.072 281 HB3 PHE 38 HB3 PHE 38 16.328 10.967 -15.919 282 HD1 PHE 38 HD2 PHE 38 18.016 12.758 -15.803 283 HD2 PHE 38 HD1 PHE 38 19.084 8.706 -16.551 284 HE1 PHE 38 HE2 PHE 38 20.212 13.494 -16.636 285 HE2 PHE 38 HE1 PHE 38 21.281 9.435 -17.384 286 HZ PHE 38 HZ PHE 38 21.848 11.831 -17.427 287 H ARG 39 H ARG 39 15.465 11.097 -12.355 288 HA ARG 39 HA ARG 39 13.705 8.906 -11.968 289 HB2 ARG 39 HB2 ARG 39 12.314 10.595 -10.727 290 HB3 ARG 39 HB3 ARG 39 13.978 10.454 -10.175 291 HG2 ARG 39 HG2 ARG 39 13.971 12.451 -12.149 292 HG3 ARG 39 HG3 ARG 39 12.572 12.757 -11.118 293 HD2 ARG 39 HD2 ARG 39 13.964 12.770 -9.152 294 HD3 ARG 39 HD3 ARG 39 15.371 12.293 -10.101 295 HE ARG 39 HE ARG 39 14.258 14.933 -9.853 296 HH11 ARG 39 HH11 ARG 39 16.187 12.807 -11.823 297 HH12 ARG 39 HH12 ARG 39 17.034 14.096 -12.613 298 HH21 ARG 39 HH21 ARG 39 15.367 16.638 -10.885 299 HH22 ARG 39 HH22 ARG 39 16.568 16.274 -12.078 300 H THR 40 H THR 40 12.596 8.215 -13.716 301 HA THR 40 HA THR 40 10.435 9.840 -14.679 302 HB THR 40 HB THR 40 12.350 8.899 -16.802 303 HG1 THR 40 HG1 THR 40 12.201 11.563 -15.816 304 HG21 THR 40 HG21 THR 40 9.750 10.091 -16.763 305 HG22 THR 40 HG22 THR 40 10.706 9.565 -18.149 306 HG23 THR 40 HG23 THR 40 10.885 11.205 -17.525 307 H LEU 41 H LEU 41 8.863 8.647 -15.814 308 HA LEU 41 HA LEU 41 9.219 5.733 -15.614 309 HB2 LEU 41 HB2 LEU 41 7.045 7.544 -14.944 310 HB3 LEU 41 HB3 LEU 41 6.518 6.205 -15.961 311 HG LEU 41 HG LEU 41 7.222 4.600 -14.334 312 HD11 LEU 41 HD11 LEU 41 8.870 6.784 -13.400 313 HD12 LEU 41 HD12 LEU 41 9.023 5.051 -13.114 314 HD13 LEU 41 HD13 LEU 41 7.981 6.026 -12.078 315 HD21 LEU 41 HD21 LEU 41 5.983 5.640 -12.246 316 HD22 LEU 41 HD22 LEU 41 5.107 5.191 -13.709 317 HD23 LEU 41 HD23 LEU 41 5.541 6.877 -13.423 318 H ASN 42 H ASN 42 7.761 4.505 -17.202 319 HA ASN 42 HA ASN 42 7.879 5.808 -19.843 320 HB2 ASN 42 HB2 ASN 42 8.479 2.914 -19.185 321 HB3 ASN 42 HB3 ASN 42 8.435 3.598 -20.807 322 HD21 ASN 42 HD21 ASN 42 10.078 3.750 -17.704 323 HD22 ASN 42 HD22 ASN 42 11.582 4.334 -18.322 324 H GLU 43 H GLU 43 6.018 5.871 -20.916 325 HA GLU 43 HA GLU 43 3.600 4.989 -19.836 326 HB2 GLU 43 HB2 GLU 43 3.662 6.784 -21.454 327 HB3 GLU 43 HB3 GLU 43 4.308 5.706 -22.683 328 HG2 GLU 43 HG2 GLU 43 2.249 4.474 -22.764 329 HG3 GLU 43 HG3 GLU 43 1.597 5.404 -21.416 330 H GLY 44 H GLY 44 2.813 3.006 -19.633 331 HA2 GLY 44 HA2 GLY 44 2.018 0.958 -20.522 332 HA3 GLY 44 HA3 GLY 44 3.211 1.081 -21.806 333 H GLU 45 H GLU 45 4.644 1.832 -18.888 334 HA GLU 45 HA GLU 45 5.767 -0.878 -18.703 335 HB2 GLU 45 HB2 GLU 45 7.357 0.958 -19.182 336 HB3 GLU 45 HB3 GLU 45 6.895 1.731 -17.672 337 HG2 GLU 45 HG2 GLU 45 7.900 0.069 -16.376 338 HG3 GLU 45 HG3 GLU 45 7.986 -1.058 -17.729 339 H HIS 46 H HIS 46 6.325 -1.679 -16.549 340 HA HIS 46 HA HIS 46 4.161 -1.152 -14.685 341 HB2 HIS 46 HB2 HIS 46 6.382 -3.147 -14.288 342 HB3 HIS 46 HB3 HIS 46 4.751 -3.179 -13.624 343 HD1 HIS 46 HD1 HIS 46 2.983 -4.364 -14.965 344 HD2 HIS 46 HD2 HIS 46 6.516 -3.826 -17.085 345 HE1 HIS 46 HE1 HIS 46 2.712 -5.704 -17.076 346 H VAL 47 H VAL 47 4.373 -0.323 -12.648 347 HA VAL 47 HA VAL 47 6.963 0.202 -11.494 348 HB VAL 47 HB VAL 47 6.431 2.684 -11.237 349 HG11 VAL 47 HG11 VAL 47 7.862 3.143 -12.934 350 HG12 VAL 47 HG12 VAL 47 8.019 1.385 -12.953 351 HG13 VAL 47 HG13 VAL 47 6.953 2.189 -14.106 352 HG21 VAL 47 HG21 VAL 47 4.770 3.676 -12.397 353 HG22 VAL 47 HG22 VAL 47 4.965 2.614 -13.791 354 HG23 VAL 47 HG23 VAL 47 4.064 2.059 -12.380 355 H GLU 48 H GLU 48 6.867 0.444 -9.306 356 HA GLU 48 HA GLU 48 4.223 0.134 -8.096 357 HB2 GLU 48 HB2 GLU 48 5.717 -1.538 -7.353 358 HB3 GLU 48 HB3 GLU 48 7.020 -0.382 -7.115 359 HG2 GLU 48 HG2 GLU 48 5.993 0.516 -5.181 360 HG3 GLU 48 HG3 GLU 48 4.490 -0.348 -5.498 361 H PHE 49 H PHE 49 3.249 1.736 -7.048 362 HA PHE 49 HA PHE 49 4.873 4.047 -6.208 363 HB2 PHE 49 HB2 PHE 49 2.805 5.420 -6.609 364 HB3 PHE 49 HB3 PHE 49 3.525 4.740 -8.064 365 HD1 PHE 49 HD1 PHE 49 2.491 2.691 -9.084 366 HD2 PHE 49 HD2 PHE 49 0.592 4.939 -6.008 367 HE1 PHE 49 HE1 PHE 49 0.332 1.670 -9.675 368 HE2 PHE 49 HE2 PHE 49 -1.570 3.921 -6.594 369 HZ PHE 49 HZ PHE 49 -1.703 2.285 -8.430 370 H GLU 50 H GLU 50 4.449 4.967 -4.226 371 HA GLU 50 HA GLU 50 2.733 3.371 -2.453 372 HB2 GLU 50 HB2 GLU 50 5.123 5.125 -1.908 373 HB3 GLU 50 HB3 GLU 50 4.074 4.534 -0.627 374 HG2 GLU 50 HG2 GLU 50 4.554 2.205 -1.528 375 HG3 GLU 50 HG3 GLU 50 5.847 2.958 -2.460 376 H VAL 51 H VAL 51 0.746 4.302 -2.646 377 HA VAL 51 HA VAL 51 0.233 7.055 -2.873 378 HB VAL 51 HB VAL 51 -2.076 6.538 -2.342 379 HG11 VAL 51 HG11 VAL 51 -2.445 5.489 -4.294 380 HG12 VAL 51 HG12 VAL 51 -0.691 5.571 -4.470 381 HG13 VAL 51 HG13 VAL 51 -1.449 4.102 -3.853 382 HG21 VAL 51 HG21 VAL 51 -2.631 4.117 -1.774 383 HG22 VAL 51 HG22 VAL 51 -0.932 3.948 -1.335 384 HG23 VAL 51 HG23 VAL 51 -1.952 5.105 -0.481 385 H GLU 52 H GLU 52 0.349 8.641 -1.433 386 HA GLU 52 HA GLU 52 0.462 7.934 1.422 387 HB2 GLU 52 HB2 GLU 52 2.031 9.710 -0.232 388 HB3 GLU 52 HB3 GLU 52 1.312 10.589 1.110 389 HG2 GLU 52 HG2 GLU 52 2.221 8.536 2.490 390 HG3 GLU 52 HG3 GLU 52 3.333 8.417 1.128 391 HA PRO 53 HA PRO 53 -3.222 10.143 2.310 392 HB2 PRO 53 HB2 PRO 53 -2.645 11.245 4.723 393 HB3 PRO 53 HB3 PRO 53 -2.943 9.516 4.502 394 HG2 PRO 53 HG2 PRO 53 -0.339 10.976 4.724 395 HG3 PRO 53 HG3 PRO 53 -0.829 9.443 5.469 396 HD2 PRO 53 HD2 PRO 53 0.723 9.556 3.252 397 HD3 PRO 53 HD3 PRO 53 -0.428 8.237 3.546 398 H GLY 54 H GLY 54 -1.276 12.390 4.117 399 HA2 GLY 54 HA2 GLY 54 -2.342 14.600 2.604 400 HA3 GLY 54 HA3 GLY 54 -1.287 14.705 4.006 401 H ARG 55 H ARG 55 -1.027 13.374 0.704 402 HA ARG 55 HA ARG 55 1.391 15.005 0.339 403 HB2 ARG 55 HB2 ARG 55 1.740 12.468 0.865 404 HB3 ARG 55 HB3 ARG 55 1.238 12.239 -0.804 405 HG2 ARG 55 HG2 ARG 55 3.650 12.304 -0.641 406 HG3 ARG 55 HG3 ARG 55 3.057 13.698 -1.547 407 HD2 ARG 55 HD2 ARG 55 3.612 15.182 0.107 408 HD3 ARG 55 HD3 ARG 55 3.447 13.982 1.387 409 HE ARG 55 HE ARG 55 5.601 13.133 -0.046 410 HH11 ARG 55 HH11 ARG 55 4.732 16.116 1.526 411 HH12 ARG 55 HH12 ARG 55 6.370 16.556 1.884 412 HH21 ARG 55 HH21 ARG 55 7.760 13.702 0.419 413 HH22 ARG 55 HH22 ARG 55 8.091 15.182 1.253 414 H GLY 56 H GLY 56 -1.237 13.179 -1.157 415 HA2 GLY 56 HA2 GLY 56 -0.715 14.453 -3.737 416 HA3 GLY 56 HA3 GLY 56 -1.873 13.167 -3.429 417 H GLY 57 H GLY 57 -1.877 16.074 -4.583 418 HA2 GLY 57 HA2 GLY 57 -3.421 17.785 -3.101 419 HA3 GLY 57 HA3 GLY 57 -3.545 17.638 -4.848 420 H LYS 58 H LYS 58 -4.466 14.872 -4.752 421 HA LYS 58 HA LYS 58 -7.252 15.429 -4.043 422 HB2 LYS 58 HB2 LYS 58 -5.898 13.787 -6.078 423 HB3 LYS 58 HB3 LYS 58 -7.305 13.029 -5.343 424 HG2 LYS 58 HG2 LYS 58 -8.284 14.104 -7.099 425 HG3 LYS 58 HG3 LYS 58 -8.424 15.348 -5.855 426 HD2 LYS 58 HD2 LYS 58 -5.910 15.421 -7.362 427 HD3 LYS 58 HD3 LYS 58 -7.351 15.727 -8.335 428 HE2 LYS 58 HE2 LYS 58 -7.732 17.717 -7.362 429 HE3 LYS 58 HE3 LYS 58 -7.299 17.127 -5.758 430 HZ1 LYS 58 HZ1 LYS 58 -5.463 18.334 -6.005 431 HZ2 LYS 58 HZ2 LYS 58 -5.706 18.552 -7.664 432 HZ3 LYS 58 HZ3 LYS 58 -4.934 17.157 -7.099 433 H GLY 59 H GLY 59 -4.549 13.476 -3.143 434 HA2 GLY 59 HA2 GLY 59 -5.188 12.732 -0.682 435 HA3 GLY 59 HA3 GLY 59 -6.199 11.627 -1.600 436 HA PRO 60 HA PRO 60 -2.830 8.814 -1.714 437 HB2 PRO 60 HB2 PRO 60 -3.522 7.363 -3.902 438 HB3 PRO 60 HB3 PRO 60 -4.363 7.226 -2.353 439 HG2 PRO 60 HG2 PRO 60 -5.137 8.769 -4.799 440 HG3 PRO 60 HG3 PRO 60 -6.150 7.772 -3.737 441 HD2 PRO 60 HD2 PRO 60 -6.084 10.474 -3.573 442 HD3 PRO 60 HD3 PRO 60 -6.349 9.438 -2.156 443 H GLN 61 H GLN 61 -0.849 9.477 -2.266 444 HA GLN 61 HA GLN 61 -0.355 10.195 -5.080 445 HB2 GLN 61 HB2 GLN 61 -0.126 12.211 -3.853 446 HB3 GLN 61 HB3 GLN 61 0.758 11.412 -2.559 447 HG2 GLN 61 HG2 GLN 61 2.022 11.238 -5.198 448 HG3 GLN 61 HG3 GLN 61 1.890 12.869 -4.540 449 HE21 GLN 61 HE21 GLN 61 4.304 12.489 -4.694 450 HE22 GLN 61 HE22 GLN 61 5.074 11.858 -3.282 451 H ALA 62 H ALA 62 1.657 9.584 -5.970 452 HA ALA 62 HA ALA 62 2.636 7.077 -4.999 453 HB1 ALA 62 HB1 ALA 62 4.281 7.372 -6.932 454 HB2 ALA 62 HB2 ALA 62 2.566 7.263 -7.332 455 HB3 ALA 62 HB3 ALA 62 3.371 8.832 -7.320 456 H LYS 63 H LYS 63 3.148 8.426 -2.882 457 HA LYS 63 HA LYS 63 5.297 10.083 -2.577 458 HB2 LYS 63 HB2 LYS 63 3.947 9.523 -0.683 459 HB3 LYS 63 HB3 LYS 63 4.369 7.820 -0.809 460 HG2 LYS 63 HG2 LYS 63 6.616 9.693 -0.431 461 HG3 LYS 63 HG3 LYS 63 5.509 9.505 0.931 462 HD2 LYS 63 HD2 LYS 63 6.782 7.186 -0.512 463 HD3 LYS 63 HD3 LYS 63 7.480 7.942 0.923 464 HE2 LYS 63 HE2 LYS 63 4.653 6.944 0.919 465 HE3 LYS 63 HE3 LYS 63 6.000 5.846 1.213 466 HZ1 LYS 63 HZ1 LYS 63 6.401 8.079 2.817 467 HZ2 LYS 63 HZ2 LYS 63 5.994 6.513 3.309 468 HZ3 LYS 63 HZ3 LYS 63 4.776 7.646 3.000 469 H LYS 64 H LYS 64 5.338 6.592 -3.041 470 HA LYS 64 HA LYS 64 8.238 6.761 -3.501 471 HB2 LYS 64 HB2 LYS 64 7.025 5.411 -1.368 472 HB3 LYS 64 HB3 LYS 64 7.442 4.154 -2.524 473 HG2 LYS 64 HG2 LYS 64 9.715 4.607 -2.390 474 HG3 LYS 64 HG3 LYS 64 9.452 6.221 -1.725 475 HD2 LYS 64 HD2 LYS 64 9.559 5.427 0.350 476 HD3 LYS 64 HD3 LYS 64 8.280 4.261 0.007 477 HE2 LYS 64 HE2 LYS 64 11.226 3.900 -0.533 478 HE3 LYS 64 HE3 LYS 64 10.298 3.127 0.752 479 HZ1 LYS 64 HZ1 LYS 64 10.322 2.565 -2.120 480 HZ2 LYS 64 HZ2 LYS 64 8.871 2.330 -1.282 481 HZ3 LYS 64 HZ3 LYS 64 10.265 1.494 -0.811 482 H VAL 65 H VAL 65 8.347 6.546 -5.656 483 HA VAL 65 HA VAL 65 6.779 4.405 -6.929 484 HB VAL 65 HB VAL 65 7.465 7.104 -7.753 485 HG11 VAL 65 HG11 VAL 65 7.844 6.515 -10.147 486 HG12 VAL 65 HG12 VAL 65 9.188 6.101 -9.080 487 HG13 VAL 65 HG13 VAL 65 8.088 4.842 -9.645 488 HG21 VAL 65 HG21 VAL 65 5.217 5.782 -7.634 489 HG22 VAL 65 HG22 VAL 65 5.477 6.966 -8.915 490 HG23 VAL 65 HG23 VAL 65 5.671 5.245 -9.252 491 H ARG 66 H ARG 66 7.764 2.833 -8.127 492 HA ARG 66 HA ARG 66 10.696 2.920 -8.333 493 HB2 ARG 66 HB2 ARG 66 9.030 0.562 -7.435 494 HB3 ARG 66 HB3 ARG 66 10.750 0.494 -7.796 495 HG2 ARG 66 HG2 ARG 66 10.764 2.480 -6.004 496 HG3 ARG 66 HG3 ARG 66 9.344 1.593 -5.447 497 HD2 ARG 66 HD2 ARG 66 11.074 0.604 -4.259 498 HD3 ARG 66 HD3 ARG 66 10.857 -0.489 -5.625 499 HE ARG 66 HE ARG 66 12.765 1.201 -6.507 500 HH11 ARG 66 HH11 ARG 66 12.418 -0.676 -3.595 501 HH12 ARG 66 HH12 ARG 66 14.123 -0.889 -3.373 502 HH21 ARG 66 HH21 ARG 66 15.012 0.927 -6.225 503 HH22 ARG 66 HH22 ARG 66 15.598 0.024 -4.869 504 H ARG 67 H ARG 67 11.579 1.997 -10.158 505 HA ARG 67 HA ARG 67 9.802 1.717 -12.402 506 HB2 ARG 67 HB2 ARG 67 11.767 1.620 -13.748 507 HB3 ARG 67 HB3 ARG 67 12.064 2.818 -12.496 508 HG2 ARG 67 HG2 ARG 67 13.363 1.174 -11.233 509 HG3 ARG 67 HG3 ARG 67 13.071 -0.020 -12.500 510 HD2 ARG 67 HD2 ARG 67 14.256 2.604 -13.257 511 HD3 ARG 67 HD3 ARG 67 15.280 1.421 -12.445 512 HE ARG 67 HE ARG 67 14.417 1.348 -15.147 513 HH11 ARG 67 HH11 ARG 67 15.109 -0.689 -12.410 514 HH12 ARG 67 HH12 ARG 67 15.516 -2.069 -13.374 515 HH21 ARG 67 HH21 ARG 67 14.951 -0.463 -16.428 516 HH22 ARG 67 HH22 ARG 67 15.427 -1.940 -15.660 517 H ILE 68 H ILE 68 9.174 -0.106 -13.423 518 HA ILE 68 HA ILE 68 10.397 -2.657 -12.664 519 HB ILE 68 HB ILE 68 7.403 -2.364 -12.770 520 HG12 ILE 68 HG12 ILE 68 8.448 -0.977 -10.929 521 HG13 ILE 68 HG13 ILE 68 7.320 -2.216 -10.390 522 HG21 ILE 68 HG21 ILE 68 9.327 -4.522 -12.014 523 HG22 ILE 68 HG22 ILE 68 7.708 -4.496 -11.316 524 HG23 ILE 68 HG23 ILE 68 7.912 -4.599 -13.064 525 HD11 ILE 68 HD11 ILE 68 10.133 -3.047 -10.512 526 HD12 ILE 68 HD12 ILE 68 9.751 -1.808 -9.316 527 HD13 ILE 68 HD13 ILE 68 8.904 -3.354 -9.286 Start of MODEL 8 1 H1 MET 1 H MET 1 1.490 -0.303 0.501 2 HA MET 1 HA MET 1 2.372 1.288 -1.755 3 HB2 MET 1 HB2 MET 1 4.134 -0.280 -1.996 4 HB3 MET 1 HB3 MET 1 3.920 -0.054 -0.265 5 HG2 MET 1 HG2 MET 1 2.648 -2.132 -0.147 6 HG3 MET 1 HG3 MET 1 2.856 -2.358 -1.882 7 HE1 MET 1 HE1 MET 1 4.780 -4.404 1.064 8 HE2 MET 1 HE2 MET 1 3.228 -4.248 0.242 9 HE3 MET 1 HE3 MET 1 4.543 -5.146 -0.518 10 H LYS 2 H LYS 2 1.884 0.955 -3.849 11 HA LYS 2 HA LYS 2 0.375 -1.465 -4.565 12 HB2 LYS 2 HB2 LYS 2 -0.312 1.369 -5.364 13 HB3 LYS 2 HB3 LYS 2 -1.078 -0.071 -6.022 14 HG2 LYS 2 HG2 LYS 2 -1.121 0.731 -3.120 15 HG3 LYS 2 HG3 LYS 2 -2.421 1.024 -4.276 16 HD2 LYS 2 HD2 LYS 2 -2.239 -1.559 -4.673 17 HD3 LYS 2 HD3 LYS 2 -1.486 -1.545 -3.077 18 HE2 LYS 2 HE2 LYS 2 -4.069 -0.111 -3.501 19 HE3 LYS 2 HE3 LYS 2 -4.071 -1.865 -3.325 20 HZ1 LYS 2 HZ1 LYS 2 -2.559 -0.333 -1.356 21 HZ2 LYS 2 HZ2 LYS 2 -3.473 -1.741 -1.160 22 HZ3 LYS 2 HZ3 LYS 2 -4.245 -0.240 -1.264 23 H LYS 3 H LYS 3 0.565 -2.133 -6.741 24 HA LYS 3 HA LYS 3 2.738 -0.835 -8.248 25 HB2 LYS 3 HB2 LYS 3 2.235 -3.812 -8.110 26 HB3 LYS 3 HB3 LYS 3 3.559 -3.004 -8.939 27 HG2 LYS 3 HG2 LYS 3 4.020 -2.071 -6.502 28 HG3 LYS 3 HG3 LYS 3 3.179 -3.557 -6.054 29 HD2 LYS 3 HD2 LYS 3 5.438 -3.568 -8.031 30 HD3 LYS 3 HD3 LYS 3 5.734 -3.641 -6.292 31 HE2 LYS 3 HE2 LYS 3 5.647 -5.875 -6.790 32 HE3 LYS 3 HE3 LYS 3 3.954 -5.572 -6.403 33 HZ1 LYS 3 HZ1 LYS 3 3.339 -5.680 -8.601 34 HZ2 LYS 3 HZ2 LYS 3 4.565 -6.844 -8.550 35 HZ3 LYS 3 HZ3 LYS 3 4.884 -5.308 -9.181 36 H GLY 4 H GLY 4 2.348 -0.436 -10.351 37 HA2 GLY 4 HA2 GLY 4 0.507 -1.954 -11.922 38 HA3 GLY 4 HA3 GLY 4 -0.190 -0.419 -11.425 39 H THR 5 H THR 5 0.026 -0.816 -14.052 40 HA THR 5 HA THR 5 2.532 0.277 -15.029 41 HB THR 5 HB THR 5 1.444 0.100 -17.277 42 HG1 THR 5 HG1 THR 5 -0.759 0.134 -16.077 43 HG21 THR 5 HG21 THR 5 2.184 -2.012 -17.414 44 HG22 THR 5 HG22 THR 5 0.995 -2.593 -16.249 45 HG23 THR 5 HG23 THR 5 2.507 -1.882 -15.686 46 H VAL 6 H VAL 6 2.781 2.263 -16.043 47 HA VAL 6 HA VAL 6 0.930 4.316 -15.170 48 HB VAL 6 HB VAL 6 3.598 4.353 -15.313 49 HG11 VAL 6 HG11 VAL 6 3.558 4.129 -17.786 50 HG12 VAL 6 HG12 VAL 6 2.761 5.701 -17.877 51 HG13 VAL 6 HG13 VAL 6 4.395 5.575 -17.223 52 HG21 VAL 6 HG21 VAL 6 2.603 6.997 -15.972 53 HG22 VAL 6 HG22 VAL 6 1.583 6.177 -14.790 54 HG23 VAL 6 HG23 VAL 6 3.303 6.396 -14.468 55 H LYS 7 H LYS 7 -0.219 5.703 -16.493 56 HA LYS 7 HA LYS 7 -0.695 4.700 -19.206 57 HB2 LYS 7 HB2 LYS 7 -2.605 4.966 -17.588 58 HB3 LYS 7 HB3 LYS 7 -2.333 6.703 -17.646 59 HG2 LYS 7 HG2 LYS 7 -4.079 6.321 -19.146 60 HG3 LYS 7 HG3 LYS 7 -2.649 6.503 -20.166 61 HD2 LYS 7 HD2 LYS 7 -2.675 3.809 -19.651 62 HD3 LYS 7 HD3 LYS 7 -4.395 4.192 -19.769 63 HE2 LYS 7 HE2 LYS 7 -4.010 5.244 -21.942 64 HE3 LYS 7 HE3 LYS 7 -2.290 4.875 -21.821 65 HZ1 LYS 7 HZ1 LYS 7 -3.840 2.536 -21.429 66 HZ2 LYS 7 HZ2 LYS 7 -2.654 2.846 -22.595 67 HZ3 LYS 7 HZ3 LYS 7 -4.264 3.274 -22.892 68 H TRP 8 H TRP 8 0.419 7.491 -17.442 69 HA TRP 8 HA TRP 8 1.740 8.596 -19.663 70 HB2 TRP 8 HB2 TRP 8 0.418 10.406 -20.318 71 HB3 TRP 8 HB3 TRP 8 -0.758 9.108 -20.133 72 HD1 TRP 8 HD1 TRP 8 0.437 12.321 -18.395 73 HE1 TRP 8 HE1 TRP 8 -1.426 13.128 -16.811 74 HE3 TRP 8 HE3 TRP 8 -2.763 8.356 -18.818 75 HZ2 TRP 8 HZ2 TRP 8 -3.920 12.205 -15.867 76 HZ3 TRP 8 HZ3 TRP 8 -4.865 8.396 -17.541 77 HH2 TRP 8 HH2 TRP 8 -5.430 10.281 -16.096 78 H PHE 9 H PHE 9 3.244 10.051 -19.009 79 HA PHE 9 HA PHE 9 2.952 11.249 -16.345 80 HB2 PHE 9 HB2 PHE 9 4.342 9.382 -15.889 81 HB3 PHE 9 HB3 PHE 9 5.281 9.626 -17.358 82 HD1 PHE 9 HD1 PHE 9 4.505 11.157 -14.069 83 HD2 PHE 9 HD2 PHE 9 7.246 10.870 -17.312 84 HE1 PHE 9 HE1 PHE 9 6.148 12.470 -12.792 85 HE2 PHE 9 HE2 PHE 9 8.893 12.183 -16.041 86 HZ PHE 9 HZ PHE 9 8.345 12.984 -13.777 87 H ASN 10 H ASN 10 2.675 13.313 -17.051 88 HA ASN 10 HA ASN 10 4.084 14.493 -19.194 89 HB2 ASN 10 HB2 ASN 10 2.452 15.585 -16.918 90 HB3 ASN 10 HB3 ASN 10 3.305 16.671 -18.011 91 HD21 ASN 10 HD21 ASN 10 2.105 17.412 -19.588 92 HD22 ASN 10 HD22 ASN 10 0.789 16.590 -20.347 93 H ALA 11 H ALA 11 6.285 14.202 -18.971 94 HA ALA 11 HA ALA 11 7.732 14.807 -16.605 95 HB1 ALA 11 HB1 ALA 11 8.949 13.388 -17.900 96 HB2 ALA 11 HB2 ALA 11 8.423 14.133 -19.410 97 HB3 ALA 11 HB3 ALA 11 9.662 14.913 -18.426 98 H GLU 12 H GLU 12 6.827 16.658 -19.445 99 HA GLU 12 HA GLU 12 8.553 18.853 -19.037 100 HB2 GLU 12 HB2 GLU 12 7.225 18.288 -21.133 101 HB3 GLU 12 HB3 GLU 12 5.831 18.991 -20.326 102 HG2 GLU 12 HG2 GLU 12 6.925 21.130 -20.193 103 HG3 GLU 12 HG3 GLU 12 8.407 20.449 -20.863 104 H LYS 13 H LYS 13 5.227 18.217 -17.996 105 HA LYS 13 HA LYS 13 4.993 20.741 -16.635 106 HB2 LYS 13 HB2 LYS 13 3.248 18.273 -16.541 107 HB3 LYS 13 HB3 LYS 13 2.841 19.825 -15.819 108 HG2 LYS 13 HG2 LYS 13 3.540 20.002 -18.647 109 HG3 LYS 13 HG3 LYS 13 2.127 18.995 -18.322 110 HD2 LYS 13 HD2 LYS 13 0.890 20.746 -17.536 111 HD3 LYS 13 HD3 LYS 13 2.304 21.617 -16.937 112 HE2 LYS 13 HE2 LYS 13 2.916 21.974 -19.383 113 HE3 LYS 13 HE3 LYS 13 1.284 21.422 -19.759 114 HZ1 LYS 13 HZ1 LYS 13 2.046 23.794 -18.148 115 HZ2 LYS 13 HZ2 LYS 13 0.463 23.210 -18.263 116 HZ3 LYS 13 HZ3 LYS 13 1.255 23.781 -19.644 117 H GLY 14 H GLY 14 5.651 17.393 -15.735 118 HA2 GLY 14 HA2 GLY 14 7.079 16.881 -13.884 119 HA3 GLY 14 HA3 GLY 14 6.553 18.369 -13.112 120 H TYR 15 H TYR 15 4.236 16.261 -14.613 121 HA TYR 15 HA TYR 15 3.511 15.091 -12.030 122 HB2 TYR 15 HB2 TYR 15 1.264 15.809 -12.102 123 HB3 TYR 15 HB3 TYR 15 2.208 17.246 -12.481 124 HD1 TYR 15 HD1 TYR 15 -0.026 14.670 -13.856 125 HD2 TYR 15 HD2 TYR 15 2.089 18.275 -14.651 126 HE1 TYR 15 HE1 TYR 15 -1.315 14.962 -15.931 127 HE2 TYR 15 HE2 TYR 15 0.805 18.578 -16.727 128 HH TYR 15 HH TYR 15 -0.925 16.191 -18.183 129 H GLY 16 H GLY 16 1.690 13.448 -12.337 130 HA2 GLY 16 HA2 GLY 16 1.242 12.317 -14.904 131 HA3 GLY 16 HA3 GLY 16 2.511 11.438 -14.064 132 H PHE 17 H PHE 17 0.369 10.010 -14.713 133 HA PHE 17 HA PHE 17 -0.890 9.525 -12.115 134 HB2 PHE 17 HB2 PHE 17 -2.267 10.268 -14.628 135 HB3 PHE 17 HB3 PHE 17 -2.974 8.928 -13.731 136 HD1 PHE 17 HD2 PHE 17 -1.802 12.431 -13.317 137 HD2 PHE 17 HD1 PHE 17 -4.399 9.346 -11.954 138 HE1 PHE 17 HE2 PHE 17 -2.908 14.032 -11.811 139 HE2 PHE 17 HE1 PHE 17 -5.510 10.943 -10.447 140 HZ PHE 17 HZ PHE 17 -4.765 13.289 -10.375 141 H ILE 18 H ILE 18 -0.754 7.455 -11.558 142 HA ILE 18 HA ILE 18 0.018 5.506 -13.603 143 HB ILE 18 HB ILE 18 0.071 5.242 -10.594 144 HG12 ILE 18 HG12 ILE 18 2.496 5.435 -12.347 145 HG13 ILE 18 HG13 ILE 18 1.665 6.903 -11.845 146 HG21 ILE 18 HG21 ILE 18 -0.092 3.067 -11.412 147 HG22 ILE 18 HG22 ILE 18 0.896 3.424 -12.827 148 HG23 ILE 18 HG23 ILE 18 1.646 3.312 -11.235 149 HD11 ILE 18 HD11 ILE 18 3.316 6.653 -10.251 150 HD12 ILE 18 HD12 ILE 18 1.903 5.946 -9.465 151 HD13 ILE 18 HD13 ILE 18 3.128 4.901 -10.183 152 H GLN 19 H GLN 19 -0.991 3.450 -13.732 153 HA GLN 19 HA GLN 19 -3.704 3.355 -12.587 154 HB2 GLN 19 HB2 GLN 19 -2.974 2.188 -15.266 155 HB3 GLN 19 HB3 GLN 19 -4.579 2.471 -14.605 156 HG2 GLN 19 HG2 GLN 19 -2.624 4.460 -15.694 157 HG3 GLN 19 HG3 GLN 19 -4.281 4.142 -16.204 158 HE21 GLN 19 HE21 GLN 19 -2.598 6.480 -14.996 159 HE22 GLN 19 HE22 GLN 19 -3.689 7.163 -13.844 160 H GLN 20 H GLN 20 -4.075 1.642 -11.353 161 HA GLN 20 HA GLN 20 -2.164 -0.556 -11.360 162 HB2 GLN 20 HB2 GLN 20 -3.448 0.765 -9.330 163 HB3 GLN 20 HB3 GLN 20 -4.414 -0.697 -9.480 164 HG2 GLN 20 HG2 GLN 20 -2.222 -1.973 -9.361 165 HG3 GLN 20 HG3 GLN 20 -1.494 -0.453 -8.846 166 HE21 GLN 20 HE21 GLN 20 -3.469 0.581 -7.257 167 HE22 GLN 20 HE22 GLN 20 -3.686 -0.426 -5.870 168 H GLU 21 H GLU 21 -3.710 -2.636 -10.427 169 HA GLU 21 HA GLU 21 -4.576 -3.909 -12.691 170 HB2 GLU 21 HB2 GLU 21 -5.752 -5.475 -11.243 171 HB3 GLU 21 HB3 GLU 21 -4.202 -5.037 -10.539 172 HG2 GLU 21 HG2 GLU 21 -5.561 -3.276 -9.227 173 HG3 GLU 21 HG3 GLU 21 -6.953 -4.261 -9.673 174 H GLU 22 H GLU 22 -6.368 -1.702 -10.642 175 HA GLU 22 HA GLU 22 -8.737 -2.049 -12.348 176 HB2 GLU 22 HB2 GLU 22 -8.584 -0.633 -9.685 177 HB3 GLU 22 HB3 GLU 22 -10.036 -1.072 -10.573 178 HG2 GLU 22 HG2 GLU 22 -9.122 -3.497 -10.321 179 HG3 GLU 22 HG3 GLU 22 -8.184 -2.798 -9.002 180 H GLY 23 H GLY 23 -6.158 0.056 -11.642 181 HA2 GLY 23 HA2 GLY 23 -5.602 2.141 -12.424 182 HA3 GLY 23 HA3 GLY 23 -6.804 1.873 -13.679 183 HA PRO 24 HA PRO 24 -9.231 3.938 -10.054 184 HB2 PRO 24 HB2 PRO 24 -7.798 4.714 -7.883 185 HB3 PRO 24 HB3 PRO 24 -8.534 3.114 -8.026 186 HG2 PRO 24 HG2 PRO 24 -5.700 3.946 -8.514 187 HG3 PRO 24 HG3 PRO 24 -6.316 2.510 -7.675 188 HD2 PRO 24 HD2 PRO 24 -5.423 2.433 -10.230 189 HD3 PRO 24 HD3 PRO 24 -6.727 1.382 -9.642 190 H ASP 25 H ASP 25 -6.390 5.554 -8.858 191 HA ASP 25 HA ASP 25 -5.901 7.477 -10.759 192 HB2 ASP 25 HB2 ASP 25 -8.490 7.837 -9.602 193 HB3 ASP 25 HB3 ASP 25 -7.457 9.166 -9.084 194 H VAL 26 H VAL 26 -3.871 7.608 -9.980 195 HA VAL 26 HA VAL 26 -3.540 8.544 -7.203 196 HB VAL 26 HB VAL 26 -2.597 6.226 -7.912 197 HG11 VAL 26 HG11 VAL 26 -1.522 6.999 -9.970 198 HG12 VAL 26 HG12 VAL 26 -0.469 8.054 -9.025 199 HG13 VAL 26 HG13 VAL 26 -0.349 6.302 -8.853 200 HG21 VAL 26 HG21 VAL 26 -2.126 7.179 -5.769 201 HG22 VAL 26 HG22 VAL 26 -0.607 6.590 -6.446 202 HG23 VAL 26 HG23 VAL 26 -0.973 8.315 -6.469 203 H PHE 27 H PHE 27 -2.277 10.304 -6.818 204 HA PHE 27 HA PHE 27 -1.491 11.861 -9.160 205 HB2 PHE 27 HB2 PHE 27 -2.858 12.663 -7.017 206 HB3 PHE 27 HB3 PHE 27 -1.235 12.950 -6.399 207 HD1 PHE 27 HD1 PHE 27 0.211 13.883 -8.733 208 HD2 PHE 27 HD2 PHE 27 -3.771 14.725 -7.487 209 HE1 PHE 27 HE1 PHE 27 0.290 16.026 -9.939 210 HE2 PHE 27 HE2 PHE 27 -3.699 16.869 -8.692 211 HZ PHE 27 HZ PHE 27 -1.666 17.523 -9.919 212 H VAL 28 H VAL 28 0.528 11.717 -9.856 213 HA VAL 28 HA VAL 28 2.684 11.402 -7.872 214 HB VAL 28 HB VAL 28 3.788 9.814 -9.104 215 HG11 VAL 28 HG11 VAL 28 2.336 8.086 -9.281 216 HG12 VAL 28 HG12 VAL 28 1.230 9.247 -8.545 217 HG13 VAL 28 HG13 VAL 28 1.209 8.992 -10.290 218 HG21 VAL 28 HG21 VAL 28 4.048 10.994 -11.153 219 HG22 VAL 28 HG22 VAL 28 3.350 9.423 -11.548 220 HG23 VAL 28 HG23 VAL 28 2.328 10.861 -11.522 221 H HIS 29 H HIS 29 4.566 12.552 -8.220 222 HA HIS 29 HA HIS 29 4.495 14.491 -10.440 223 HB2 HIS 29 HB2 HIS 29 4.982 14.866 -7.538 224 HB3 HIS 29 HB3 HIS 29 6.009 15.789 -8.631 225 HD1 HIS 29 HD1 HIS 29 5.101 18.052 -8.958 226 HD2 HIS 29 HD2 HIS 29 2.076 15.233 -8.557 227 HE1 HIS 29 HE1 HIS 29 2.951 19.337 -9.178 228 H PHE 30 H PHE 30 6.572 15.226 -11.215 229 HA PHE 30 HA PHE 30 8.354 13.181 -11.791 230 HB2 PHE 30 HB2 PHE 30 9.720 14.809 -12.819 231 HB3 PHE 30 HB3 PHE 30 8.083 15.444 -12.954 232 HD1 PHE 30 HD2 PHE 30 7.369 16.966 -10.883 233 HD2 PHE 30 HD1 PHE 30 11.365 16.259 -12.166 234 HE1 PHE 30 HE2 PHE 30 8.085 19.049 -9.787 235 HE2 PHE 30 HE1 PHE 30 12.088 18.341 -11.071 236 HZ PHE 30 HZ PHE 30 10.448 19.738 -9.880 237 H THR 31 H THR 31 8.159 15.218 -9.010 238 HA THR 31 HA THR 31 10.835 14.473 -8.105 239 HB THR 31 HB THR 31 10.054 16.824 -7.828 240 HG1 THR 31 HG1 THR 31 11.661 16.121 -6.435 241 HG21 THR 31 HG21 THR 31 8.155 17.379 -6.769 242 HG22 THR 31 HG22 THR 31 8.451 16.236 -5.459 243 HG23 THR 31 HG23 THR 31 7.707 15.685 -6.959 244 H ALA 32 H ALA 32 8.539 12.567 -8.318 245 HA ALA 32 HA ALA 32 8.569 11.650 -5.518 246 HB1 ALA 32 HB1 ALA 32 6.356 12.353 -5.823 247 HB2 ALA 32 HB2 ALA 32 6.277 11.690 -7.455 248 HB3 ALA 32 HB3 ALA 32 6.305 10.607 -6.064 249 H ILE 33 H ILE 33 9.649 11.044 -8.539 250 HA ILE 33 HA ILE 33 9.273 8.155 -8.489 251 HB ILE 33 HB ILE 33 10.633 9.960 -10.488 252 HG12 ILE 33 HG12 ILE 33 8.686 8.831 -11.881 253 HG13 ILE 33 HG13 ILE 33 7.964 8.629 -10.289 254 HG21 ILE 33 HG21 ILE 33 10.289 7.551 -11.737 255 HG22 ILE 33 HG22 ILE 33 11.806 8.143 -11.060 256 HG23 ILE 33 HG23 ILE 33 10.778 7.068 -10.113 257 HD11 ILE 33 HD11 ILE 33 7.120 10.660 -10.627 258 HD12 ILE 33 HD12 ILE 33 8.740 11.247 -10.248 259 HD13 ILE 33 HD13 ILE 33 8.255 11.016 -11.928 260 H GLU 34 H GLU 34 10.710 6.777 -7.678 261 HA GLU 34 HA GLU 34 13.411 7.784 -7.070 262 HB2 GLU 34 HB2 GLU 34 12.092 5.445 -5.709 263 HB3 GLU 34 HB3 GLU 34 13.489 6.369 -5.175 264 HG2 GLU 34 HG2 GLU 34 11.468 8.250 -5.356 265 HG3 GLU 34 HG3 GLU 34 10.674 6.821 -4.697 266 H ALA 35 H ALA 35 14.245 7.207 -9.112 267 HA ALA 35 HA ALA 35 14.476 4.301 -9.559 268 HB1 ALA 35 HB1 ALA 35 14.927 6.270 -11.756 269 HB2 ALA 35 HB2 ALA 35 14.388 4.592 -11.841 270 HB3 ALA 35 HB3 ALA 35 13.279 5.848 -11.289 271 H ASP 36 H ASP 36 16.509 3.968 -11.132 272 HA ASP 36 HA ASP 36 18.778 5.067 -9.640 273 HB2 ASP 36 HB2 ASP 36 18.351 2.531 -10.019 274 HB3 ASP 36 HB3 ASP 36 18.976 2.832 -11.638 275 H GLY 37 H GLY 37 18.477 7.124 -10.834 276 HA2 GLY 37 HA2 GLY 37 20.244 8.097 -12.375 277 HA3 GLY 37 HA3 GLY 37 19.588 6.983 -13.565 278 H PHE 38 H PHE 38 18.245 7.879 -14.964 279 HA PHE 38 HA PHE 38 17.270 10.513 -14.689 280 HB2 PHE 38 HB2 PHE 38 16.657 8.278 -16.611 281 HB3 PHE 38 HB3 PHE 38 15.819 9.824 -16.702 282 HD1 PHE 38 HD2 PHE 38 17.820 11.801 -16.236 283 HD2 PHE 38 HD1 PHE 38 18.153 8.117 -18.341 284 HE1 PHE 38 HE2 PHE 38 19.675 12.729 -17.560 285 HE2 PHE 38 HE1 PHE 38 20.009 9.038 -19.667 286 HZ PHE 38 HZ PHE 38 20.773 11.347 -19.277 287 H ARG 39 H ARG 39 15.727 11.152 -13.348 288 HA ARG 39 HA ARG 39 13.793 9.323 -12.270 289 HB2 ARG 39 HB2 ARG 39 13.793 12.325 -11.977 290 HB3 ARG 39 HB3 ARG 39 13.071 11.136 -10.900 291 HG2 ARG 39 HG2 ARG 39 16.031 11.362 -11.387 292 HG3 ARG 39 HG3 ARG 39 15.183 12.177 -10.070 293 HD2 ARG 39 HD2 ARG 39 14.561 10.119 -9.076 294 HD3 ARG 39 HD3 ARG 39 15.039 9.204 -10.506 295 HE ARG 39 HE ARG 39 17.355 10.336 -9.758 296 HH11 ARG 39 HH11 ARG 39 14.940 8.566 -7.981 297 HH12 ARG 39 HH12 ARG 39 16.069 7.915 -6.840 298 HH21 ARG 39 HH21 ARG 39 18.851 9.484 -8.262 299 HH22 ARG 39 HH22 ARG 39 18.294 8.438 -7.000 300 H THR 40 H THR 40 12.543 8.624 -14.004 301 HA THR 40 HA THR 40 10.354 10.346 -14.697 302 HB THR 40 HB THR 40 10.843 9.719 -17.248 303 HG1 THR 40 HG1 THR 40 12.841 8.804 -17.040 304 HG21 THR 40 HG21 THR 40 10.907 12.031 -15.688 305 HG22 THR 40 HG22 THR 40 10.848 11.942 -17.448 306 HG23 THR 40 HG23 THR 40 12.401 12.073 -16.623 307 H LEU 41 H LEU 41 8.746 9.206 -16.084 308 HA LEU 41 HA LEU 41 8.891 6.296 -15.641 309 HB2 LEU 41 HB2 LEU 41 7.006 8.138 -14.727 310 HB3 LEU 41 HB3 LEU 41 6.217 7.300 -16.061 311 HG LEU 41 HG LEU 41 5.743 6.313 -13.838 312 HD11 LEU 41 HD11 LEU 41 7.249 4.147 -15.087 313 HD12 LEU 41 HD12 LEU 41 6.241 5.053 -16.214 314 HD13 LEU 41 HD13 LEU 41 5.518 4.305 -14.790 315 HD21 LEU 41 HD21 LEU 41 7.353 5.395 -12.476 316 HD22 LEU 41 HD22 LEU 41 8.201 6.809 -13.103 317 HD23 LEU 41 HD23 LEU 41 8.517 5.214 -13.789 318 H ASN 42 H ASN 42 7.905 4.928 -17.219 319 HA ASN 42 HA ASN 42 7.847 6.148 -19.898 320 HB2 ASN 42 HB2 ASN 42 8.656 3.410 -18.943 321 HB3 ASN 42 HB3 ASN 42 8.239 3.702 -20.629 322 HD21 ASN 42 HD21 ASN 42 10.524 4.288 -18.094 323 HD22 ASN 42 HD22 ASN 42 11.770 4.953 -19.089 324 H GLU 43 H GLU 43 5.984 6.175 -20.967 325 HA GLU 43 HA GLU 43 3.571 5.296 -19.854 326 HB2 GLU 43 HB2 GLU 43 3.573 7.072 -21.474 327 HB3 GLU 43 HB3 GLU 43 4.285 6.026 -22.695 328 HG2 GLU 43 HG2 GLU 43 2.226 4.638 -22.621 329 HG3 GLU 43 HG3 GLU 43 1.519 5.829 -21.531 330 H GLY 44 H GLY 44 2.787 3.313 -19.642 331 HA2 GLY 44 HA2 GLY 44 2.019 1.244 -20.486 332 HA3 GLY 44 HA3 GLY 44 3.180 1.376 -21.799 333 H GLU 45 H GLU 45 4.631 2.150 -18.880 334 HA GLU 45 HA GLU 45 5.836 -0.526 -18.742 335 HB2 GLU 45 HB2 GLU 45 7.374 1.350 -19.191 336 HB3 GLU 45 HB3 GLU 45 6.878 2.107 -17.684 337 HG2 GLU 45 HG2 GLU 45 7.838 0.338 -16.399 338 HG3 GLU 45 HG3 GLU 45 8.165 -0.605 -17.851 339 H HIS 46 H HIS 46 6.392 -1.376 -16.621 340 HA HIS 46 HA HIS 46 4.236 -0.913 -14.728 341 HB2 HIS 46 HB2 HIS 46 6.463 -2.908 -14.384 342 HB3 HIS 46 HB3 HIS 46 4.823 -2.971 -13.743 343 HD1 HIS 46 HD1 HIS 46 3.098 -4.159 -15.126 344 HD2 HIS 46 HD2 HIS 46 6.623 -3.469 -17.215 345 HE1 HIS 46 HE1 HIS 46 2.860 -5.428 -17.284 346 H VAL 47 H VAL 47 4.458 -0.131 -12.677 347 HA VAL 47 HA VAL 47 7.048 0.354 -11.511 348 HB VAL 47 HB VAL 47 6.524 2.841 -11.208 349 HG11 VAL 47 HG11 VAL 47 8.004 3.308 -12.854 350 HG12 VAL 47 HG12 VAL 47 8.130 1.549 -12.925 351 HG13 VAL 47 HG13 VAL 47 7.101 2.408 -14.072 352 HG21 VAL 47 HG21 VAL 47 4.980 3.903 -12.523 353 HG22 VAL 47 HG22 VAL 47 5.037 2.668 -13.781 354 HG23 VAL 47 HG23 VAL 47 4.165 2.358 -12.281 355 H GLU 48 H GLU 48 6.949 0.586 -9.318 356 HA GLU 48 HA GLU 48 4.306 0.244 -8.118 357 HB2 GLU 48 HB2 GLU 48 5.830 -1.406 -7.379 358 HB3 GLU 48 HB3 GLU 48 7.107 -0.226 -7.123 359 HG2 GLU 48 HG2 GLU 48 6.053 0.634 -5.189 360 HG3 GLU 48 HG3 GLU 48 4.564 -0.246 -5.527 361 H PHE 49 H PHE 49 3.297 1.843 -7.107 362 HA PHE 49 HA PHE 49 4.881 4.175 -6.247 363 HB2 PHE 49 HB2 PHE 49 2.803 5.518 -6.652 364 HB3 PHE 49 HB3 PHE 49 3.506 4.824 -8.110 365 HD1 PHE 49 HD1 PHE 49 2.465 2.778 -9.107 366 HD2 PHE 49 HD2 PHE 49 0.609 5.007 -5.992 367 HE1 PHE 49 HE1 PHE 49 0.304 1.735 -9.653 368 HE2 PHE 49 HE2 PHE 49 -1.554 3.967 -6.532 369 HZ PHE 49 HZ PHE 49 -1.709 2.330 -8.365 370 H GLU 50 H GLU 50 4.416 5.109 -4.272 371 HA GLU 50 HA GLU 50 2.747 3.469 -2.493 372 HB2 GLU 50 HB2 GLU 50 5.147 5.213 -2.007 373 HB3 GLU 50 HB3 GLU 50 4.074 4.761 -0.689 374 HG2 GLU 50 HG2 GLU 50 5.067 2.577 -2.415 375 HG3 GLU 50 HG3 GLU 50 6.235 3.357 -1.350 376 H VAL 51 H VAL 51 0.740 4.351 -2.671 377 HA VAL 51 HA VAL 51 0.178 7.104 -2.890 378 HB VAL 51 HB VAL 51 -2.141 6.491 -2.261 379 HG11 VAL 51 HG11 VAL 51 -1.572 4.334 -4.129 380 HG12 VAL 51 HG12 VAL 51 -2.495 5.820 -4.362 381 HG13 VAL 51 HG13 VAL 51 -0.740 5.833 -4.540 382 HG21 VAL 51 HG21 VAL 51 -2.558 4.691 -1.032 383 HG22 VAL 51 HG22 VAL 51 -1.906 3.656 -2.302 384 HG23 VAL 51 HG23 VAL 51 -0.842 4.285 -1.045 385 H GLU 52 H GLU 52 0.470 8.632 -1.417 386 HA GLU 52 HA GLU 52 0.364 7.893 1.429 387 HB2 GLU 52 HB2 GLU 52 1.979 9.853 -0.118 388 HB3 GLU 52 HB3 GLU 52 1.516 10.304 1.517 389 HG2 GLU 52 HG2 GLU 52 3.116 7.905 0.670 390 HG3 GLU 52 HG3 GLU 52 3.674 9.298 1.594 391 HA PRO 53 HA PRO 53 -3.131 10.431 2.187 392 HB2 PRO 53 HB2 PRO 53 -2.531 11.549 4.587 393 HB3 PRO 53 HB3 PRO 53 -2.958 9.844 4.401 394 HG2 PRO 53 HG2 PRO 53 -0.254 11.103 4.660 395 HG3 PRO 53 HG3 PRO 53 -0.882 9.633 5.428 396 HD2 PRO 53 HD2 PRO 53 0.731 9.566 3.254 397 HD3 PRO 53 HD3 PRO 53 -0.527 8.348 3.547 398 H GLY 54 H GLY 54 -1.002 12.551 3.964 399 HA2 GLY 54 HA2 GLY 54 -1.897 14.821 2.443 400 HA3 GLY 54 HA3 GLY 54 -0.777 14.847 3.796 401 H ARG 55 H ARG 55 -0.764 13.412 0.529 402 HA ARG 55 HA ARG 55 1.770 14.818 0.027 403 HB2 ARG 55 HB2 ARG 55 1.215 11.924 -0.029 404 HB3 ARG 55 HB3 ARG 55 2.078 12.540 -1.433 405 HG2 ARG 55 HG2 ARG 55 2.938 12.967 1.420 406 HG3 ARG 55 HG3 ARG 55 3.560 11.703 0.357 407 HD2 ARG 55 HD2 ARG 55 4.735 13.179 -0.937 408 HD3 ARG 55 HD3 ARG 55 3.628 14.512 -0.611 409 HE ARG 55 HE ARG 55 4.794 14.088 1.788 410 HH11 ARG 55 HH11 ARG 55 6.054 14.574 -1.421 411 HH12 ARG 55 HH12 ARG 55 7.513 15.331 -0.875 412 HH21 ARG 55 HH21 ARG 55 6.711 15.083 2.520 413 HH22 ARG 55 HH22 ARG 55 7.886 15.620 1.367 414 H GLY 56 H GLY 56 -1.037 13.166 -1.363 415 HA2 GLY 56 HA2 GLY 56 -0.539 14.485 -3.936 416 HA3 GLY 56 HA3 GLY 56 -1.679 13.178 -3.651 417 H GLY 57 H GLY 57 -1.909 15.944 -4.867 418 HA2 GLY 57 HA2 GLY 57 -3.319 17.732 -3.336 419 HA3 GLY 57 HA3 GLY 57 -3.623 17.468 -5.046 420 H LYS 58 H LYS 58 -4.662 14.935 -5.073 421 HA LYS 58 HA LYS 58 -7.301 15.423 -4.001 422 HB2 LYS 58 HB2 LYS 58 -6.129 13.283 -5.767 423 HB3 LYS 58 HB3 LYS 58 -7.773 13.179 -5.151 424 HG2 LYS 58 HG2 LYS 58 -6.677 15.408 -6.854 425 HG3 LYS 58 HG3 LYS 58 -7.706 14.088 -7.413 426 HD2 LYS 58 HD2 LYS 58 -8.435 16.210 -5.396 427 HD3 LYS 58 HD3 LYS 58 -9.040 16.077 -7.049 428 HE2 LYS 58 HE2 LYS 58 -9.494 14.116 -4.802 429 HE3 LYS 58 HE3 LYS 58 -10.683 15.225 -5.482 430 HZ1 LYS 58 HZ1 LYS 58 -9.631 12.729 -6.574 431 HZ2 LYS 58 HZ2 LYS 58 -9.997 13.960 -7.675 432 HZ3 LYS 58 HZ3 LYS 58 -11.198 13.365 -6.644 433 H GLY 59 H GLY 59 -4.508 13.593 -3.148 434 HA2 GLY 59 HA2 GLY 59 -4.918 13.029 -0.607 435 HA3 GLY 59 HA3 GLY 59 -6.020 11.868 -1.332 436 HA PRO 60 HA PRO 60 -2.720 8.992 -1.599 437 HB2 PRO 60 HB2 PRO 60 -3.563 7.478 -3.689 438 HB3 PRO 60 HB3 PRO 60 -4.314 7.412 -2.090 439 HG2 PRO 60 HG2 PRO 60 -5.204 8.881 -4.541 440 HG3 PRO 60 HG3 PRO 60 -6.169 7.942 -3.388 441 HD2 PRO 60 HD2 PRO 60 -6.049 10.647 -3.325 442 HD3 PRO 60 HD3 PRO 60 -6.248 9.666 -1.859 443 H GLN 61 H GLN 61 -0.765 9.601 -2.287 444 HA GLN 61 HA GLN 61 -0.417 10.182 -5.154 445 HB2 GLN 61 HB2 GLN 61 0.073 12.261 -4.379 446 HB3 GLN 61 HB3 GLN 61 0.468 11.682 -2.766 447 HG2 GLN 61 HG2 GLN 61 2.642 10.967 -3.501 448 HG3 GLN 61 HG3 GLN 61 2.251 11.380 -5.170 449 HE21 GLN 61 HE21 GLN 61 4.084 12.350 -2.776 450 HE22 GLN 61 HE22 GLN 61 4.042 14.065 -2.979 451 H ALA 62 H ALA 62 1.699 9.679 -6.027 452 HA ALA 62 HA ALA 62 2.660 7.152 -5.058 453 HB1 ALA 62 HB1 ALA 62 4.275 7.394 -6.998 454 HB2 ALA 62 HB2 ALA 62 2.558 7.365 -7.403 455 HB3 ALA 62 HB3 ALA 62 3.433 8.896 -7.382 456 H LYS 63 H LYS 63 3.151 8.604 -2.966 457 HA LYS 63 HA LYS 63 5.307 10.237 -2.682 458 HB2 LYS 63 HB2 LYS 63 3.795 9.493 -0.848 459 HB3 LYS 63 HB3 LYS 63 4.645 7.954 -0.815 460 HG2 LYS 63 HG2 LYS 63 6.626 9.922 -0.606 461 HG3 LYS 63 HG3 LYS 63 5.315 10.430 0.461 462 HD2 LYS 63 HD2 LYS 63 6.942 9.006 1.623 463 HD3 LYS 63 HD3 LYS 63 5.343 8.261 1.562 464 HE2 LYS 63 HE2 LYS 63 6.001 6.703 -0.043 465 HE3 LYS 63 HE3 LYS 63 7.408 7.650 -0.523 466 HZ1 LYS 63 HZ1 LYS 63 8.640 6.857 1.183 467 HZ2 LYS 63 HZ2 LYS 63 7.594 5.537 1.030 468 HZ3 LYS 63 HZ3 LYS 63 7.323 6.696 2.233 469 H LYS 64 H LYS 64 5.349 6.742 -3.101 470 HA LYS 64 HA LYS 64 8.253 6.904 -3.541 471 HB2 LYS 64 HB2 LYS 64 6.974 5.523 -1.442 472 HB3 LYS 64 HB3 LYS 64 7.496 4.295 -2.587 473 HG2 LYS 64 HG2 LYS 64 9.714 5.849 -2.443 474 HG3 LYS 64 HG3 LYS 64 9.070 6.010 -0.807 475 HD2 LYS 64 HD2 LYS 64 9.074 3.274 -1.890 476 HD3 LYS 64 HD3 LYS 64 10.670 3.981 -1.631 477 HE2 LYS 64 HE2 LYS 64 9.880 4.594 0.690 478 HE3 LYS 64 HE3 LYS 64 8.469 3.583 0.384 479 HZ1 LYS 64 HZ1 LYS 64 9.642 1.776 0.841 480 HZ2 LYS 64 HZ2 LYS 64 10.924 2.765 1.331 481 HZ3 LYS 64 HZ3 LYS 64 10.856 2.195 -0.261 482 H VAL 65 H VAL 65 8.393 6.679 -5.693 483 HA VAL 65 HA VAL 65 6.819 4.552 -6.984 484 HB VAL 65 HB VAL 65 7.548 7.239 -7.801 485 HG11 VAL 65 HG11 VAL 65 7.994 6.658 -10.179 486 HG12 VAL 65 HG12 VAL 65 9.299 6.209 -9.079 487 HG13 VAL 65 HG13 VAL 65 8.192 4.977 -9.685 488 HG21 VAL 65 HG21 VAL 65 5.295 5.889 -7.746 489 HG22 VAL 65 HG22 VAL 65 5.577 7.125 -8.972 490 HG23 VAL 65 HG23 VAL 65 5.788 5.420 -9.373 491 H ARG 66 H ARG 66 7.802 2.976 -8.188 492 HA ARG 66 HA ARG 66 10.739 3.009 -8.319 493 HB2 ARG 66 HB2 ARG 66 9.004 0.678 -7.486 494 HB3 ARG 66 HB3 ARG 66 10.729 0.574 -7.811 495 HG2 ARG 66 HG2 ARG 66 10.677 2.578 -5.993 496 HG3 ARG 66 HG3 ARG 66 9.306 1.601 -5.462 497 HD2 ARG 66 HD2 ARG 66 10.703 -0.355 -5.302 498 HD3 ARG 66 HD3 ARG 66 12.070 0.520 -5.990 499 HE ARG 66 HE ARG 66 11.153 0.601 -3.269 500 HH11 ARG 66 HH11 ARG 66 12.891 2.310 -5.754 501 HH12 ARG 66 HH12 ARG 66 13.817 3.257 -4.637 502 HH21 ARG 66 HH21 ARG 66 12.366 1.842 -1.788 503 HH22 ARG 66 HH22 ARG 66 13.518 2.989 -2.382 504 H ARG 67 H ARG 67 11.649 2.111 -10.138 505 HA ARG 67 HA ARG 67 9.923 1.877 -12.425 506 HB2 ARG 67 HB2 ARG 67 12.012 1.569 -13.689 507 HB3 ARG 67 HB3 ARG 67 12.084 2.979 -12.640 508 HG2 ARG 67 HG2 ARG 67 14.075 2.154 -12.047 509 HG3 ARG 67 HG3 ARG 67 13.130 1.073 -11.021 510 HD2 ARG 67 HD2 ARG 67 13.040 -0.368 -13.233 511 HD3 ARG 67 HD3 ARG 67 14.512 0.531 -13.599 512 HE ARG 67 HE ARG 67 14.742 -0.477 -11.008 513 HH11 ARG 67 HH11 ARG 67 14.544 -1.648 -14.280 514 HH12 ARG 67 HH12 ARG 67 15.471 -3.077 -13.963 515 HH21 ARG 67 HH21 ARG 67 15.963 -2.355 -10.578 516 HH22 ARG 67 HH22 ARG 67 16.277 -3.479 -11.856 517 H ILE 68 H ILE 68 9.265 0.076 -13.455 518 HA ILE 68 HA ILE 68 10.454 -2.500 -12.729 519 HB ILE 68 HB ILE 68 7.464 -2.159 -12.825 520 HG12 ILE 68 HG12 ILE 68 8.536 -0.832 -10.957 521 HG13 ILE 68 HG13 ILE 68 7.393 -2.068 -10.441 522 HG21 ILE 68 HG21 ILE 68 7.822 -4.328 -11.364 523 HG22 ILE 68 HG22 ILE 68 7.834 -4.391 -13.125 524 HG23 ILE 68 HG23 ILE 68 9.355 -4.373 -12.234 525 HD11 ILE 68 HD11 ILE 68 8.989 -3.316 -9.440 526 HD12 ILE 68 HD12 ILE 68 10.239 -2.847 -10.593 527 HD13 ILE 68 HD13 ILE 68 9.766 -1.739 -9.305 Start of MODEL 9 1 H1 MET 1 H MET 1 1.308 1.440 0.156 2 HA MET 1 HA MET 1 3.001 0.334 -1.671 3 HB2 MET 1 HB2 MET 1 2.375 -0.389 0.765 4 HB3 MET 1 HB3 MET 1 1.264 -1.487 -0.043 5 HG2 MET 1 HG2 MET 1 3.335 -2.207 -1.405 6 HG3 MET 1 HG3 MET 1 4.250 -1.438 -0.110 7 HE1 MET 1 HE1 MET 1 5.291 -3.302 1.656 8 HE2 MET 1 HE2 MET 1 4.237 -2.006 2.221 9 HE3 MET 1 HE3 MET 1 4.026 -3.646 2.837 10 H LYS 2 H LYS 2 1.743 0.924 -3.662 11 HA LYS 2 HA LYS 2 0.083 -1.363 -4.492 12 HB2 LYS 2 HB2 LYS 2 -0.261 1.546 -5.234 13 HB3 LYS 2 HB3 LYS 2 -1.130 0.221 -5.997 14 HG2 LYS 2 HG2 LYS 2 -1.286 1.031 -3.101 15 HG3 LYS 2 HG3 LYS 2 -2.520 1.285 -4.337 16 HD2 LYS 2 HD2 LYS 2 -2.315 -1.328 -4.602 17 HD3 LYS 2 HD3 LYS 2 -1.698 -1.224 -2.951 18 HE2 LYS 2 HE2 LYS 2 -3.702 -0.445 -2.112 19 HE3 LYS 2 HE3 LYS 2 -4.227 0.192 -3.670 20 HZ1 LYS 2 HZ1 LYS 2 -5.512 -1.730 -3.182 21 HZ2 LYS 2 HZ2 LYS 2 -4.139 -2.654 -2.837 22 HZ3 LYS 2 HZ3 LYS 2 -4.442 -2.151 -4.423 23 H LYS 3 H LYS 3 0.254 -1.998 -6.689 24 HA LYS 3 HA LYS 3 2.546 -0.883 -8.154 25 HB2 LYS 3 HB2 LYS 3 1.987 -3.843 -8.012 26 HB3 LYS 3 HB3 LYS 3 3.407 -3.042 -8.672 27 HG2 LYS 3 HG2 LYS 3 3.746 -2.177 -6.259 28 HG3 LYS 3 HG3 LYS 3 2.644 -3.483 -5.817 29 HD2 LYS 3 HD2 LYS 3 4.175 -5.023 -7.133 30 HD3 LYS 3 HD3 LYS 3 5.325 -3.685 -7.170 31 HE2 LYS 3 HE2 LYS 3 6.073 -4.591 -5.252 32 HE3 LYS 3 HE3 LYS 3 4.700 -3.748 -4.536 33 HZ1 LYS 3 HZ1 LYS 3 5.072 -6.596 -5.045 34 HZ2 LYS 3 HZ2 LYS 3 3.509 -5.983 -5.242 35 HZ3 LYS 3 HZ3 LYS 3 4.300 -5.819 -3.756 36 H GLY 4 H GLY 4 2.281 -0.696 -10.327 37 HA2 GLY 4 HA2 GLY 4 0.447 -2.197 -11.869 38 HA3 GLY 4 HA3 GLY 4 -0.282 -0.661 -11.426 39 H THR 5 H THR 5 -0.003 -1.117 -14.037 40 HA THR 5 HA THR 5 2.511 -0.044 -15.000 41 HB THR 5 HB THR 5 1.470 -0.252 -17.252 42 HG1 THR 5 HG1 THR 5 -0.740 0.001 -16.383 43 HG21 THR 5 HG21 THR 5 0.871 -2.909 -16.272 44 HG22 THR 5 HG22 THR 5 2.344 -2.270 -15.542 45 HG23 THR 5 HG23 THR 5 2.198 -2.363 -17.296 46 H VAL 6 H VAL 6 2.814 1.938 -15.976 47 HA VAL 6 HA VAL 6 1.028 4.034 -15.126 48 HB VAL 6 HB VAL 6 3.685 4.007 -15.410 49 HG11 VAL 6 HG11 VAL 6 3.522 3.735 -17.867 50 HG12 VAL 6 HG12 VAL 6 2.735 5.312 -17.957 51 HG13 VAL 6 HG13 VAL 6 4.399 5.186 -17.385 52 HG21 VAL 6 HG21 VAL 6 2.483 5.744 -14.268 53 HG22 VAL 6 HG22 VAL 6 3.586 6.494 -15.421 54 HG23 VAL 6 HG23 VAL 6 1.866 6.381 -15.792 55 H LYS 7 H LYS 7 -0.172 5.407 -16.413 56 HA LYS 7 HA LYS 7 -0.799 4.367 -19.080 57 HB2 LYS 7 HB2 LYS 7 -2.498 4.949 -17.105 58 HB3 LYS 7 HB3 LYS 7 -2.406 6.544 -17.841 59 HG2 LYS 7 HG2 LYS 7 -2.928 4.169 -19.565 60 HG3 LYS 7 HG3 LYS 7 -4.234 4.844 -18.588 61 HD2 LYS 7 HD2 LYS 7 -4.397 6.700 -19.860 62 HD3 LYS 7 HD3 LYS 7 -2.652 6.810 -20.105 63 HE2 LYS 7 HE2 LYS 7 -2.764 5.029 -21.765 64 HE3 LYS 7 HE3 LYS 7 -4.499 4.871 -21.497 65 HZ1 LYS 7 HZ1 LYS 7 -4.533 7.355 -22.127 66 HZ2 LYS 7 HZ2 LYS 7 -4.388 6.203 -23.356 67 HZ3 LYS 7 HZ3 LYS 7 -3.022 7.046 -22.823 68 H TRP 8 H TRP 8 0.430 7.177 -17.422 69 HA TRP 8 HA TRP 8 1.653 8.224 -19.728 70 HB2 TRP 8 HB2 TRP 8 0.317 10.017 -20.366 71 HB3 TRP 8 HB3 TRP 8 -0.878 8.764 -20.043 72 HD1 TRP 8 HD1 TRP 8 0.605 11.932 -18.410 73 HE1 TRP 8 HE1 TRP 8 -1.141 12.886 -16.777 74 HE3 TRP 8 HE3 TRP 8 -2.904 8.228 -18.722 75 HZ2 TRP 8 HZ2 TRP 8 -3.671 12.163 -15.756 76 HZ3 TRP 8 HZ3 TRP 8 -4.959 8.435 -17.385 77 HH2 TRP 8 HH2 TRP 8 -5.333 10.362 -15.933 78 H PHE 9 H PHE 9 3.184 9.712 -19.194 79 HA PHE 9 HA PHE 9 3.050 10.971 -16.552 80 HB2 PHE 9 HB2 PHE 9 4.375 8.951 -16.228 81 HB3 PHE 9 HB3 PHE 9 5.407 9.383 -17.587 82 HD1 PHE 9 HD2 PHE 9 7.026 11.191 -17.394 83 HD2 PHE 9 HD1 PHE 9 4.615 10.012 -14.091 84 HE1 PHE 9 HE2 PHE 9 8.521 12.415 -15.870 85 HE2 PHE 9 HE1 PHE 9 6.105 11.235 -12.562 86 HZ PHE 9 HZ PHE 9 8.061 12.439 -13.451 87 H ASN 10 H ASN 10 2.852 13.026 -17.283 88 HA ASN 10 HA ASN 10 4.265 14.061 -19.521 89 HB2 ASN 10 HB2 ASN 10 2.097 14.966 -18.640 90 HB3 ASN 10 HB3 ASN 10 2.986 15.624 -17.270 91 HD21 ASN 10 HD21 ASN 10 1.446 16.986 -19.335 92 HD22 ASN 10 HD22 ASN 10 2.532 18.102 -20.083 93 H ALA 11 H ALA 11 6.459 13.751 -19.273 94 HA ALA 11 HA ALA 11 7.897 14.451 -16.923 95 HB1 ALA 11 HB1 ALA 11 9.706 13.598 -17.971 96 HB2 ALA 11 HB2 ALA 11 8.486 12.937 -19.059 97 HB3 ALA 11 HB3 ALA 11 9.347 14.413 -19.493 98 H GLU 12 H GLU 12 6.826 16.218 -19.704 99 HA GLU 12 HA GLU 12 8.670 18.362 -19.574 100 HB2 GLU 12 HB2 GLU 12 7.407 18.032 -21.586 101 HB3 GLU 12 HB3 GLU 12 5.884 18.166 -20.718 102 HG2 GLU 12 HG2 GLU 12 6.583 20.165 -22.086 103 HG3 GLU 12 HG3 GLU 12 6.135 20.478 -20.410 104 H LYS 13 H LYS 13 5.596 17.721 -17.999 105 HA LYS 13 HA LYS 13 5.631 20.338 -16.705 106 HB2 LYS 13 HB2 LYS 13 3.607 18.107 -16.804 107 HB3 LYS 13 HB3 LYS 13 3.437 19.475 -15.711 108 HG2 LYS 13 HG2 LYS 13 3.946 20.187 -18.512 109 HG3 LYS 13 HG3 LYS 13 2.413 19.365 -18.212 110 HD2 LYS 13 HD2 LYS 13 1.597 21.070 -16.913 111 HD3 LYS 13 HD3 LYS 13 3.204 21.596 -16.404 112 HE2 LYS 13 HE2 LYS 13 3.583 22.757 -18.390 113 HE3 LYS 13 HE3 LYS 13 2.321 21.880 -19.254 114 HZ1 LYS 13 HZ1 LYS 13 1.907 24.298 -18.465 115 HZ2 LYS 13 HZ2 LYS 13 1.595 23.579 -16.966 116 HZ3 LYS 13 HZ3 LYS 13 0.672 23.150 -18.318 117 H GLY 14 H GLY 14 5.954 16.912 -15.949 118 HA2 GLY 14 HA2 GLY 14 7.397 16.183 -14.183 119 HA3 GLY 14 HA3 GLY 14 7.055 17.682 -13.333 120 H TYR 15 H TYR 15 4.593 15.683 -14.829 121 HA TYR 15 HA TYR 15 3.815 14.568 -12.250 122 HB2 TYR 15 HB2 TYR 15 1.621 15.459 -12.244 123 HB3 TYR 15 HB3 TYR 15 2.680 16.826 -12.573 124 HD1 TYR 15 HD1 TYR 15 0.191 14.537 -14.008 125 HD2 TYR 15 HD2 TYR 15 2.634 17.949 -14.707 126 HE1 TYR 15 HE1 TYR 15 -1.102 15.040 -16.039 127 HE2 TYR 15 HE2 TYR 15 1.347 18.462 -16.739 128 HH TYR 15 HH TYR 15 -1.224 16.311 -17.877 129 H GLY 16 H GLY 16 1.897 13.061 -12.522 130 HA2 GLY 16 HA2 GLY 16 1.209 12.064 -15.083 131 HA3 GLY 16 HA3 GLY 16 2.490 11.082 -14.387 132 H PHE 17 H PHE 17 0.395 9.658 -14.843 133 HA PHE 17 HA PHE 17 -0.783 9.223 -12.204 134 HB2 PHE 17 HB2 PHE 17 -2.329 9.638 -14.756 135 HB3 PHE 17 HB3 PHE 17 -3.005 8.739 -13.402 136 HD1 PHE 17 HD2 PHE 17 -1.568 12.027 -14.339 137 HD2 PHE 17 HD1 PHE 17 -4.023 9.851 -11.627 138 HE1 PHE 17 HE2 PHE 17 -2.293 14.139 -13.306 139 HE2 PHE 17 HE1 PHE 17 -4.753 11.959 -10.591 140 HZ PHE 17 HZ PHE 17 -3.889 14.107 -11.431 141 H ILE 18 H ILE 18 -0.795 7.135 -11.646 142 HA ILE 18 HA ILE 18 0.008 5.176 -13.665 143 HB ILE 18 HB ILE 18 -0.068 4.955 -10.653 144 HG12 ILE 18 HG12 ILE 18 2.415 4.875 -12.324 145 HG13 ILE 18 HG13 ILE 18 1.685 6.431 -11.945 146 HG21 ILE 18 HG21 ILE 18 0.657 2.997 -12.802 147 HG22 ILE 18 HG22 ILE 18 1.369 2.887 -11.193 148 HG23 ILE 18 HG23 ILE 18 -0.379 2.771 -11.393 149 HD11 ILE 18 HD11 ILE 18 2.924 4.432 -10.108 150 HD12 ILE 18 HD12 ILE 18 3.247 6.158 -10.269 151 HD13 ILE 18 HD13 ILE 18 1.757 5.607 -9.504 152 H GLN 19 H GLN 19 -1.137 3.308 -14.085 153 HA GLN 19 HA GLN 19 -3.842 3.165 -12.926 154 HB2 GLN 19 HB2 GLN 19 -2.923 3.026 -15.752 155 HB3 GLN 19 HB3 GLN 19 -4.249 1.971 -15.280 156 HG2 GLN 19 HG2 GLN 19 -4.575 4.477 -16.180 157 HG3 GLN 19 HG3 GLN 19 -5.709 3.663 -15.103 158 HE21 GLN 19 HE21 GLN 19 -3.193 6.049 -15.350 159 HE22 GLN 19 HE22 GLN 19 -3.480 6.804 -13.823 160 H GLN 20 H GLN 20 -3.922 1.465 -11.616 161 HA GLN 20 HA GLN 20 -2.192 -0.803 -11.942 162 HB2 GLN 20 HB2 GLN 20 -4.543 -0.549 -10.067 163 HB3 GLN 20 HB3 GLN 20 -3.166 -1.632 -9.914 164 HG2 GLN 20 HG2 GLN 20 -1.743 0.477 -9.765 165 HG3 GLN 20 HG3 GLN 20 -3.262 1.336 -9.516 166 HE21 GLN 20 HE21 GLN 20 -1.991 -1.771 -8.366 167 HE22 GLN 20 HE22 GLN 20 -2.232 -1.443 -6.687 168 H GLU 21 H GLU 21 -3.757 -2.948 -11.231 169 HA GLU 21 HA GLU 21 -4.645 -3.953 -13.629 170 HB2 GLU 21 HB2 GLU 21 -5.779 -5.693 -12.355 171 HB3 GLU 21 HB3 GLU 21 -4.215 -5.330 -11.638 172 HG2 GLU 21 HG2 GLU 21 -5.698 -3.685 -10.177 173 HG3 GLU 21 HG3 GLU 21 -6.943 -4.864 -10.588 174 H GLU 22 H GLU 22 -6.376 -1.981 -11.319 175 HA GLU 22 HA GLU 22 -8.803 -2.171 -12.969 176 HB2 GLU 22 HB2 GLU 22 -8.565 -0.998 -10.197 177 HB3 GLU 22 HB3 GLU 22 -10.043 -1.380 -11.070 178 HG2 GLU 22 HG2 GLU 22 -9.130 -3.803 -11.056 179 HG3 GLU 22 HG3 GLU 22 -8.103 -3.221 -9.747 180 H GLY 23 H GLY 23 -6.248 -0.084 -12.006 181 HA2 GLY 23 HA2 GLY 23 -5.699 2.048 -12.663 182 HA3 GLY 23 HA3 GLY 23 -6.946 1.903 -13.892 183 HA PRO 24 HA PRO 24 -9.142 3.628 -9.938 184 HB2 PRO 24 HB2 PRO 24 -7.526 4.389 -7.893 185 HB3 PRO 24 HB3 PRO 24 -8.200 2.761 -8.030 186 HG2 PRO 24 HG2 PRO 24 -5.473 3.751 -8.770 187 HG3 PRO 24 HG3 PRO 24 -5.932 2.255 -7.936 188 HD2 PRO 24 HD2 PRO 24 -5.309 2.323 -10.570 189 HD3 PRO 24 HD3 PRO 24 -6.495 1.186 -9.899 190 H ASP 25 H ASP 25 -6.305 5.351 -8.926 191 HA ASP 25 HA ASP 25 -6.035 7.356 -10.772 192 HB2 ASP 25 HB2 ASP 25 -7.450 9.166 -9.520 193 HB3 ASP 25 HB3 ASP 25 -8.224 8.118 -10.705 194 H VAL 26 H VAL 26 -3.956 7.352 -9.995 195 HA VAL 26 HA VAL 26 -3.581 8.431 -7.276 196 HB VAL 26 HB VAL 26 -2.661 6.038 -8.063 197 HG11 VAL 26 HG11 VAL 26 -0.281 7.806 -8.546 198 HG12 VAL 26 HG12 VAL 26 -0.446 6.075 -8.847 199 HG13 VAL 26 HG13 VAL 26 -1.308 7.234 -9.860 200 HG21 VAL 26 HG21 VAL 26 -2.537 7.167 -5.815 201 HG22 VAL 26 HG22 VAL 26 -1.181 6.109 -6.206 202 HG23 VAL 26 HG23 VAL 26 -0.999 7.858 -6.333 203 H PHE 27 H PHE 27 -2.172 10.120 -6.977 204 HA PHE 27 HA PHE 27 -1.371 11.529 -9.417 205 HB2 PHE 27 HB2 PHE 27 -2.742 12.506 -7.351 206 HB3 PHE 27 HB3 PHE 27 -1.119 12.794 -6.732 207 HD1 PHE 27 HD1 PHE 27 0.392 13.555 -9.068 208 HD2 PHE 27 HD2 PHE 27 -3.614 14.530 -8.008 209 HE1 PHE 27 HE1 PHE 27 0.539 15.609 -10.414 210 HE2 PHE 27 HE2 PHE 27 -3.473 16.585 -9.353 211 HZ PHE 27 HZ PHE 27 -1.394 17.128 -10.557 212 H VAL 28 H VAL 28 0.654 11.304 -10.072 213 HA VAL 28 HA VAL 28 2.768 11.000 -8.039 214 HB VAL 28 HB VAL 28 3.917 9.435 -9.310 215 HG11 VAL 28 HG11 VAL 28 1.362 8.873 -8.600 216 HG12 VAL 28 HG12 VAL 28 1.336 8.452 -10.314 217 HG13 VAL 28 HG13 VAL 28 2.503 7.688 -9.234 218 HG21 VAL 28 HG21 VAL 28 4.004 10.538 -11.417 219 HG22 VAL 28 HG22 VAL 28 3.321 8.937 -11.701 220 HG23 VAL 28 HG23 VAL 28 2.267 10.350 -11.659 221 H HIS 29 H HIS 29 4.621 12.179 -8.295 222 HA HIS 29 HA HIS 29 4.693 14.037 -10.582 223 HB2 HIS 29 HB2 HIS 29 4.930 14.527 -7.676 224 HB3 HIS 29 HB3 HIS 29 6.093 15.380 -8.688 225 HD1 HIS 29 HD1 HIS 29 5.302 17.622 -9.321 226 HD2 HIS 29 HD2 HIS 29 2.147 14.955 -8.878 227 HE1 HIS 29 HE1 HIS 29 3.222 18.959 -9.780 228 H PHE 30 H PHE 30 6.850 14.816 -11.161 229 HA PHE 30 HA PHE 30 8.664 12.750 -11.582 230 HB2 PHE 30 HB2 PHE 30 10.102 14.363 -12.535 231 HB3 PHE 30 HB3 PHE 30 8.479 14.987 -12.808 232 HD1 PHE 30 HD2 PHE 30 7.595 16.593 -10.911 233 HD2 PHE 30 HD1 PHE 30 11.698 15.787 -11.705 234 HE1 PHE 30 HE2 PHE 30 8.219 18.701 -9.806 235 HE2 PHE 30 HE1 PHE 30 12.329 17.893 -10.600 236 HZ PHE 30 HZ PHE 30 10.588 19.353 -9.648 237 H THR 31 H THR 31 8.213 14.774 -8.840 238 HA THR 31 HA THR 31 10.837 14.129 -7.732 239 HB THR 31 HB THR 31 8.711 15.690 -6.289 240 HG1 THR 31 HG1 THR 31 9.173 17.454 -7.453 241 HG21 THR 31 HG21 THR 31 11.518 16.515 -6.166 242 HG22 THR 31 HG22 THR 31 11.227 14.882 -5.564 243 HG23 THR 31 HG23 THR 31 10.357 16.248 -4.866 244 H ALA 32 H ALA 32 8.493 12.213 -8.124 245 HA ALA 32 HA ALA 32 8.402 11.232 -5.345 246 HB1 ALA 32 HB1 ALA 32 6.262 10.236 -7.040 247 HB2 ALA 32 HB2 ALA 32 6.190 10.967 -5.436 248 HB3 ALA 32 HB3 ALA 32 6.235 11.991 -6.871 249 H ILE 33 H ILE 33 9.522 10.664 -8.433 250 HA ILE 33 HA ILE 33 9.350 7.765 -8.311 251 HB ILE 33 HB ILE 33 10.643 9.591 -10.338 252 HG12 ILE 33 HG12 ILE 33 8.679 8.276 -11.652 253 HG13 ILE 33 HG13 ILE 33 7.973 8.342 -10.040 254 HG21 ILE 33 HG21 ILE 33 11.825 7.805 -10.954 255 HG22 ILE 33 HG22 ILE 33 10.906 6.737 -9.894 256 HG23 ILE 33 HG23 ILE 33 10.301 7.112 -11.508 257 HD11 ILE 33 HD11 ILE 33 7.161 10.274 -10.920 258 HD12 ILE 33 HD12 ILE 33 8.663 10.874 -10.215 259 HD13 ILE 33 HD13 ILE 33 8.574 10.535 -11.944 260 H GLU 34 H GLU 34 10.932 6.428 -7.668 261 HA GLU 34 HA GLU 34 13.507 7.641 -6.910 262 HB2 GLU 34 HB2 GLU 34 12.211 5.163 -5.761 263 HB3 GLU 34 HB3 GLU 34 13.710 5.902 -5.217 264 HG2 GLU 34 HG2 GLU 34 11.446 7.738 -5.221 265 HG3 GLU 34 HG3 GLU 34 11.230 6.348 -4.159 266 H ALA 35 H ALA 35 14.425 7.315 -8.974 267 HA ALA 35 HA ALA 35 15.125 4.506 -9.516 268 HB1 ALA 35 HB1 ALA 35 14.115 6.587 -11.396 269 HB2 ALA 35 HB2 ALA 35 15.256 5.376 -11.983 270 HB3 ALA 35 HB3 ALA 35 13.714 4.873 -11.290 271 H ASP 36 H ASP 36 17.028 4.553 -11.246 272 HA ASP 36 HA ASP 36 19.152 6.076 -9.967 273 HB2 ASP 36 HB2 ASP 36 19.029 3.693 -11.761 274 HB3 ASP 36 HB3 ASP 36 20.509 4.648 -11.743 275 H GLY 37 H GLY 37 18.308 8.125 -10.853 276 HA2 GLY 37 HA2 GLY 37 19.552 9.657 -12.399 277 HA3 GLY 37 HA3 GLY 37 19.142 8.507 -13.662 278 H PHE 38 H PHE 38 17.496 9.086 -14.897 279 HA PHE 38 HA PHE 38 15.903 11.337 -14.415 280 HB2 PHE 38 HB2 PHE 38 15.584 9.012 -16.309 281 HB3 PHE 38 HB3 PHE 38 14.462 10.368 -16.285 282 HD1 PHE 38 HD2 PHE 38 15.156 12.572 -17.029 283 HD2 PHE 38 HD1 PHE 38 17.820 9.255 -17.161 284 HE1 PHE 38 HE2 PHE 38 16.646 13.833 -18.527 285 HE2 PHE 38 HE1 PHE 38 19.315 10.511 -18.659 286 HZ PHE 38 HZ PHE 38 18.729 12.803 -19.343 287 H ARG 39 H ARG 39 14.505 11.528 -12.793 288 HA ARG 39 HA ARG 39 13.168 9.269 -11.636 289 HB2 ARG 39 HB2 ARG 39 12.710 12.219 -11.154 290 HB3 ARG 39 HB3 ARG 39 12.138 10.900 -10.141 291 HG2 ARG 39 HG2 ARG 39 14.160 10.576 -9.180 292 HG3 ARG 39 HG3 ARG 39 15.048 11.023 -10.638 293 HD2 ARG 39 HD2 ARG 39 13.516 13.064 -9.064 294 HD3 ARG 39 HD3 ARG 39 15.150 12.593 -8.597 295 HE ARG 39 HE ARG 39 15.310 13.207 -11.266 296 HH11 ARG 39 HH11 ARG 39 14.320 14.868 -8.370 297 HH12 ARG 39 HH12 ARG 39 14.784 16.432 -8.953 298 HH21 ARG 39 HH21 ARG 39 15.925 15.261 -12.043 299 HH22 ARG 39 HH22 ARG 39 15.696 16.655 -11.042 300 H THR 40 H THR 40 12.247 8.744 -13.867 301 HA THR 40 HA THR 40 9.500 9.724 -13.927 302 HB THR 40 HB THR 40 9.471 10.207 -16.269 303 HG1 THR 40 HG1 THR 40 11.010 9.562 -17.604 304 HG21 THR 40 HG21 THR 40 10.299 12.003 -14.770 305 HG22 THR 40 HG22 THR 40 10.936 12.128 -16.410 306 HG23 THR 40 HG23 THR 40 11.949 11.490 -15.116 307 H LEU 41 H LEU 41 8.141 8.403 -15.445 308 HA LEU 41 HA LEU 41 9.057 5.608 -15.387 309 HB2 LEU 41 HB2 LEU 41 6.198 6.463 -15.654 310 HB3 LEU 41 HB3 LEU 41 6.842 4.918 -15.102 311 HG LEU 41 HG LEU 41 7.073 7.491 -13.546 312 HD11 LEU 41 HD11 LEU 41 4.806 7.159 -13.454 313 HD12 LEU 41 HD12 LEU 41 5.340 6.171 -12.095 314 HD13 LEU 41 HD13 LEU 41 4.942 5.410 -13.635 315 HD21 LEU 41 HD21 LEU 41 8.379 5.019 -13.309 316 HD22 LEU 41 HD22 LEU 41 7.167 5.059 -12.028 317 HD23 LEU 41 HD23 LEU 41 8.365 6.349 -12.150 318 H ASN 42 H ASN 42 7.469 4.340 -17.074 319 HA ASN 42 HA ASN 42 7.747 5.731 -19.655 320 HB2 ASN 42 HB2 ASN 42 8.521 2.910 -18.927 321 HB3 ASN 42 HB3 ASN 42 8.231 3.394 -20.595 322 HD21 ASN 42 HD21 ASN 42 10.156 4.128 -17.737 323 HD22 ASN 42 HD22 ASN 42 11.532 4.723 -18.595 324 H GLU 43 H GLU 43 5.958 5.787 -20.852 325 HA GLU 43 HA GLU 43 3.488 4.878 -19.935 326 HB2 GLU 43 HB2 GLU 43 3.639 6.682 -21.537 327 HB3 GLU 43 HB3 GLU 43 4.366 5.614 -22.730 328 HG2 GLU 43 HG2 GLU 43 2.243 4.281 -22.686 329 HG3 GLU 43 HG3 GLU 43 1.544 5.564 -21.701 330 H GLY 44 H GLY 44 2.738 2.878 -19.762 331 HA2 GLY 44 HA2 GLY 44 2.010 0.822 -20.674 332 HA3 GLY 44 HA3 GLY 44 3.223 0.979 -21.936 333 H GLU 45 H GLU 45 4.578 1.721 -18.973 334 HA GLU 45 HA GLU 45 5.731 -0.978 -18.787 335 HB2 GLU 45 HB2 GLU 45 7.304 0.883 -19.270 336 HB3 GLU 45 HB3 GLU 45 6.850 1.629 -17.744 337 HG2 GLU 45 HG2 GLU 45 8.011 0.125 -16.496 338 HG3 GLU 45 HG3 GLU 45 7.820 -1.171 -17.675 339 H HIS 46 H HIS 46 6.295 -1.753 -16.619 340 HA HIS 46 HA HIS 46 4.121 -1.213 -14.765 341 HB2 HIS 46 HB2 HIS 46 6.322 -3.226 -14.355 342 HB3 HIS 46 HB3 HIS 46 4.687 -3.243 -13.702 343 HD1 HIS 46 HD1 HIS 46 2.936 -4.452 -15.031 344 HD2 HIS 46 HD2 HIS 46 6.451 -3.878 -17.170 345 HE1 HIS 46 HE1 HIS 46 2.662 -5.786 -17.145 346 H VAL 47 H VAL 47 4.346 -0.417 -12.709 347 HA VAL 47 HA VAL 47 6.941 0.109 -11.572 348 HB VAL 47 HB VAL 47 6.367 2.597 -11.292 349 HG11 VAL 47 HG11 VAL 47 7.996 1.284 -12.997 350 HG12 VAL 47 HG12 VAL 47 6.989 2.177 -14.139 351 HG13 VAL 47 HG13 VAL 47 7.890 3.041 -12.892 352 HG21 VAL 47 HG21 VAL 47 4.797 3.599 -12.604 353 HG22 VAL 47 HG22 VAL 47 4.942 2.400 -13.889 354 HG23 VAL 47 HG23 VAL 47 4.036 2.019 -12.425 355 H GLU 48 H GLU 48 6.860 0.344 -9.382 356 HA GLU 48 HA GLU 48 4.217 0.049 -8.159 357 HB2 GLU 48 HB2 GLU 48 5.639 -1.666 -7.422 358 HB3 GLU 48 HB3 GLU 48 7.009 -0.578 -7.246 359 HG2 GLU 48 HG2 GLU 48 6.041 0.425 -5.298 360 HG3 GLU 48 HG3 GLU 48 4.548 -0.484 -5.520 361 H PHE 49 H PHE 49 3.286 1.654 -7.076 362 HA PHE 49 HA PHE 49 4.965 3.922 -6.225 363 HB2 PHE 49 HB2 PHE 49 2.954 5.354 -6.586 364 HB3 PHE 49 HB3 PHE 49 3.565 4.620 -8.065 365 HD1 PHE 49 HD1 PHE 49 2.369 2.684 -9.060 366 HD2 PHE 49 HD2 PHE 49 0.776 4.904 -5.796 367 HE1 PHE 49 HE1 PHE 49 0.138 1.753 -9.520 368 HE2 PHE 49 HE2 PHE 49 -1.457 3.976 -6.251 369 HZ PHE 49 HZ PHE 49 -1.778 2.398 -8.114 370 H GLU 50 H GLU 50 4.510 4.894 -4.247 371 HA GLU 50 HA GLU 50 2.886 3.245 -2.437 372 HB2 GLU 50 HB2 GLU 50 5.287 4.996 -2.024 373 HB3 GLU 50 HB3 GLU 50 4.224 4.623 -0.675 374 HG2 GLU 50 HG2 GLU 50 4.570 2.190 -1.225 375 HG3 GLU 50 HG3 GLU 50 5.837 2.711 -2.334 376 H VAL 51 H VAL 51 0.862 4.083 -2.554 377 HA VAL 51 HA VAL 51 0.100 6.708 -2.934 378 HB VAL 51 HB VAL 51 -2.044 6.135 -1.913 379 HG11 VAL 51 HG11 VAL 51 -1.482 5.346 -4.196 380 HG12 VAL 51 HG12 VAL 51 -0.971 3.807 -3.502 381 HG13 VAL 51 HG13 VAL 51 -2.654 4.319 -3.370 382 HG21 VAL 51 HG21 VAL 51 -2.321 3.814 -0.976 383 HG22 VAL 51 HG22 VAL 51 -0.561 3.707 -0.924 384 HG23 VAL 51 HG23 VAL 51 -1.398 4.931 0.031 385 H GLU 52 H GLU 52 0.152 8.507 -1.750 386 HA GLU 52 HA GLU 52 0.820 8.260 1.109 387 HB2 GLU 52 HB2 GLU 52 2.280 9.533 -0.791 388 HB3 GLU 52 HB3 GLU 52 1.263 10.853 -0.233 389 HG2 GLU 52 HG2 GLU 52 3.451 10.684 0.925 390 HG3 GLU 52 HG3 GLU 52 2.055 10.625 2.000 391 HA PRO 53 HA PRO 53 -3.087 10.079 2.040 392 HB2 PRO 53 HB2 PRO 53 -2.549 10.879 4.578 393 HB3 PRO 53 HB3 PRO 53 -2.821 9.188 4.141 394 HG2 PRO 53 HG2 PRO 53 -0.240 10.641 4.574 395 HG3 PRO 53 HG3 PRO 53 -0.716 9.021 5.116 396 HD2 PRO 53 HD2 PRO 53 0.856 9.428 2.949 397 HD3 PRO 53 HD3 PRO 53 -0.279 8.068 3.063 398 H GLY 54 H GLY 54 -1.211 12.109 4.145 399 HA2 GLY 54 HA2 GLY 54 -2.261 14.472 2.849 400 HA3 GLY 54 HA3 GLY 54 -1.303 14.425 4.322 401 H ARG 55 H ARG 55 -0.738 13.405 0.951 402 HA ARG 55 HA ARG 55 1.581 15.205 0.878 403 HB2 ARG 55 HB2 ARG 55 1.878 12.511 1.210 404 HB3 ARG 55 HB3 ARG 55 1.943 12.653 -0.541 405 HG2 ARG 55 HG2 ARG 55 4.110 13.072 -0.255 406 HG3 ARG 55 HG3 ARG 55 3.598 14.675 0.276 407 HD2 ARG 55 HD2 ARG 55 3.412 13.684 2.604 408 HD3 ARG 55 HD3 ARG 55 4.264 12.278 1.966 409 HE ARG 55 HE ARG 55 5.873 14.329 1.267 410 HH11 ARG 55 HH11 ARG 55 4.412 13.373 4.278 411 HH12 ARG 55 HH12 ARG 55 5.691 14.015 5.254 412 HH21 ARG 55 HH21 ARG 55 7.564 15.179 2.540 413 HH22 ARG 55 HH22 ARG 55 7.483 15.044 4.264 414 H GLY 56 H GLY 56 -0.713 13.212 -0.931 415 HA2 GLY 56 HA2 GLY 56 -0.038 14.424 -3.458 416 HA3 GLY 56 HA3 GLY 56 -1.358 13.303 -3.156 417 H GLY 57 H GLY 57 -0.970 16.106 -4.463 418 HA2 GLY 57 HA2 GLY 57 -2.350 18.079 -3.156 419 HA3 GLY 57 HA3 GLY 57 -2.424 17.838 -4.895 420 H LYS 58 H LYS 58 -3.703 15.275 -4.808 421 HA LYS 58 HA LYS 58 -6.407 16.169 -4.107 422 HB2 LYS 58 HB2 LYS 58 -5.396 14.035 -5.985 423 HB3 LYS 58 HB3 LYS 58 -7.095 14.211 -5.568 424 HG2 LYS 58 HG2 LYS 58 -5.619 16.579 -6.601 425 HG3 LYS 58 HG3 LYS 58 -6.112 15.313 -7.729 426 HD2 LYS 58 HD2 LYS 58 -8.006 16.551 -7.820 427 HD3 LYS 58 HD3 LYS 58 -8.408 15.621 -6.375 428 HE2 LYS 58 HE2 LYS 58 -8.009 17.389 -4.962 429 HE3 LYS 58 HE3 LYS 58 -6.878 18.160 -6.073 430 HZ1 LYS 58 HZ1 LYS 58 -9.181 19.200 -5.752 431 HZ2 LYS 58 HZ2 LYS 58 -9.743 17.952 -6.745 432 HZ3 LYS 58 HZ3 LYS 58 -8.592 19.045 -7.330 433 H GLY 59 H GLY 59 -3.959 13.964 -3.176 434 HA2 GLY 59 HA2 GLY 59 -4.761 13.178 -0.788 435 HA3 GLY 59 HA3 GLY 59 -5.833 12.204 -1.783 436 HA PRO 60 HA PRO 60 -2.676 9.128 -1.699 437 HB2 PRO 60 HB2 PRO 60 -3.643 7.545 -3.681 438 HB3 PRO 60 HB3 PRO 60 -4.364 7.614 -2.069 439 HG2 PRO 60 HG2 PRO 60 -5.221 8.986 -4.587 440 HG3 PRO 60 HG3 PRO 60 -6.213 8.171 -3.364 441 HD2 PRO 60 HD2 PRO 60 -5.943 10.864 -3.463 442 HD3 PRO 60 HD3 PRO 60 -6.167 9.982 -1.939 443 H GLN 61 H GLN 61 -0.719 9.699 -2.439 444 HA GLN 61 HA GLN 61 -0.396 10.078 -5.343 445 HB2 GLN 61 HB2 GLN 61 1.437 11.602 -4.888 446 HB3 GLN 61 HB3 GLN 61 -0.014 12.152 -4.061 447 HG2 GLN 61 HG2 GLN 61 0.862 11.826 -2.010 448 HG3 GLN 61 HG3 GLN 61 1.785 10.409 -2.508 449 HE21 GLN 61 HE21 GLN 61 3.799 10.708 -3.526 450 HE22 GLN 61 HE22 GLN 61 4.687 12.178 -3.341 451 H ALA 62 H ALA 62 2.063 9.779 -5.917 452 HA ALA 62 HA ALA 62 2.750 7.091 -5.012 453 HB1 ALA 62 HB1 ALA 62 3.527 8.755 -7.377 454 HB2 ALA 62 HB2 ALA 62 4.467 7.332 -6.925 455 HB3 ALA 62 HB3 ALA 62 2.759 7.168 -7.332 456 H LYS 63 H LYS 63 3.306 8.376 -2.905 457 HA LYS 63 HA LYS 63 5.478 9.994 -2.566 458 HB2 LYS 63 HB2 LYS 63 4.178 9.471 -0.659 459 HB3 LYS 63 HB3 LYS 63 4.438 7.743 -0.857 460 HG2 LYS 63 HG2 LYS 63 6.020 7.944 0.688 461 HG3 LYS 63 HG3 LYS 63 6.990 8.736 -0.557 462 HD2 LYS 63 HD2 LYS 63 5.197 10.065 1.473 463 HD3 LYS 63 HD3 LYS 63 6.961 10.121 1.412 464 HE2 LYS 63 HE2 LYS 63 5.055 11.269 -0.624 465 HE3 LYS 63 HE3 LYS 63 6.017 12.180 0.538 466 HZ1 LYS 63 HZ1 LYS 63 7.715 10.496 -0.935 467 HZ2 LYS 63 HZ2 LYS 63 7.693 12.186 -0.885 468 HZ3 LYS 63 HZ3 LYS 63 6.750 11.362 -2.022 469 H LYS 64 H LYS 64 5.476 6.503 -3.062 470 HA LYS 64 HA LYS 64 8.371 6.648 -3.554 471 HB2 LYS 64 HB2 LYS 64 7.210 5.343 -1.384 472 HB3 LYS 64 HB3 LYS 64 7.531 4.056 -2.539 473 HG2 LYS 64 HG2 LYS 64 9.643 6.054 -1.826 474 HG3 LYS 64 HG3 LYS 64 9.339 4.637 -0.818 475 HD2 LYS 64 HD2 LYS 64 9.758 3.175 -2.720 476 HD3 LYS 64 HD3 LYS 64 10.005 4.578 -3.762 477 HE2 LYS 64 HE2 LYS 64 11.912 5.250 -2.342 478 HE3 LYS 64 HE3 LYS 64 11.683 3.789 -1.382 479 HZ1 LYS 64 HZ1 LYS 64 13.113 4.095 -3.776 480 HZ2 LYS 64 HZ2 LYS 64 11.827 3.034 -4.064 481 HZ3 LYS 64 HZ3 LYS 64 12.935 2.705 -2.828 482 H VAL 65 H VAL 65 8.459 6.413 -5.706 483 HA VAL 65 HA VAL 65 6.854 4.280 -6.948 484 HB VAL 65 HB VAL 65 7.543 6.971 -7.793 485 HG11 VAL 65 HG11 VAL 65 8.135 4.702 -9.688 486 HG12 VAL 65 HG12 VAL 65 7.910 6.381 -10.184 487 HG13 VAL 65 HG13 VAL 65 9.253 5.945 -9.127 488 HG21 VAL 65 HG21 VAL 65 5.290 5.687 -7.644 489 HG22 VAL 65 HG22 VAL 65 5.553 6.823 -8.967 490 HG23 VAL 65 HG23 VAL 65 5.727 5.091 -9.246 491 H ARG 66 H ARG 66 7.811 2.705 -8.171 492 HA ARG 66 HA ARG 66 10.742 2.762 -8.400 493 HB2 ARG 66 HB2 ARG 66 9.005 0.572 -7.293 494 HB3 ARG 66 HB3 ARG 66 10.579 0.215 -7.992 495 HG2 ARG 66 HG2 ARG 66 11.708 1.103 -6.251 496 HG3 ARG 66 HG3 ARG 66 10.506 2.366 -5.975 497 HD2 ARG 66 HD2 ARG 66 10.458 0.884 -4.103 498 HD3 ARG 66 HD3 ARG 66 8.991 0.616 -5.044 499 HE ARG 66 HE ARG 66 10.735 -1.237 -6.004 500 HH11 ARG 66 HH11 ARG 66 9.560 -0.414 -2.832 501 HH12 ARG 66 HH12 ARG 66 9.702 -2.028 -2.218 502 HH21 ARG 66 HH21 ARG 66 10.926 -3.365 -5.208 503 HH22 ARG 66 HH22 ARG 66 10.480 -3.706 -3.570 504 H ARG 67 H ARG 67 11.595 1.880 -10.248 505 HA ARG 67 HA ARG 67 9.798 1.610 -12.472 506 HB2 ARG 67 HB2 ARG 67 11.752 1.497 -13.836 507 HB3 ARG 67 HB3 ARG 67 12.066 2.693 -12.585 508 HG2 ARG 67 HG2 ARG 67 13.365 1.044 -11.333 509 HG3 ARG 67 HG3 ARG 67 13.053 -0.152 -12.593 510 HD2 ARG 67 HD2 ARG 67 14.453 0.870 -14.099 511 HD3 ARG 67 HD3 ARG 67 14.251 2.461 -13.368 512 HE ARG 67 HE ARG 67 16.017 2.011 -11.980 513 HH11 ARG 67 HH11 ARG 67 14.925 -0.952 -13.445 514 HH12 ARG 67 HH12 ARG 67 16.255 -1.889 -12.849 515 HH21 ARG 67 HH21 ARG 67 17.773 0.789 -11.190 516 HH22 ARG 67 HH22 ARG 67 17.874 -0.898 -11.566 517 H ILE 68 H ILE 68 9.146 -0.201 -13.499 518 HA ILE 68 HA ILE 68 10.349 -2.767 -12.758 519 HB ILE 68 HB ILE 68 7.357 -2.441 -12.853 520 HG12 ILE 68 HG12 ILE 68 8.418 -1.080 -11.006 521 HG13 ILE 68 HG13 ILE 68 7.288 -2.318 -10.469 522 HG21 ILE 68 HG21 ILE 68 7.879 -4.679 -13.186 523 HG22 ILE 68 HG22 ILE 68 9.251 -4.626 -12.080 524 HG23 ILE 68 HG23 ILE 68 7.606 -4.590 -11.447 525 HD11 ILE 68 HD11 ILE 68 10.176 -2.996 -10.607 526 HD12 ILE 68 HD12 ILE 68 9.599 -1.978 -9.288 527 HD13 ILE 68 HD13 ILE 68 8.924 -3.591 -9.518 Start of MODEL 10 1 H1 MET 1 H MET 1 0.796 1.538 -0.537 2 HA MET 1 HA MET 1 3.061 0.469 -1.983 3 HB2 MET 1 HB2 MET 1 2.384 0.066 0.509 4 HB3 MET 1 HB3 MET 1 1.318 -1.158 -0.167 5 HG2 MET 1 HG2 MET 1 3.225 -2.270 -1.193 6 HG3 MET 1 HG3 MET 1 4.300 -1.032 -0.546 7 HE1 MET 1 HE1 MET 1 4.568 -0.438 1.664 8 HE2 MET 1 HE2 MET 1 4.110 -1.319 3.121 9 HE3 MET 1 HE3 MET 1 5.551 -1.794 2.220 10 H LYS 2 H LYS 2 1.602 0.891 -4.000 11 HA LYS 2 HA LYS 2 0.268 -1.656 -4.638 12 HB2 LYS 2 HB2 LYS 2 -0.592 1.146 -5.346 13 HB3 LYS 2 HB3 LYS 2 -1.189 -0.270 -6.203 14 HG2 LYS 2 HG2 LYS 2 -1.502 0.258 -3.255 15 HG3 LYS 2 HG3 LYS 2 -2.750 0.473 -4.484 16 HD2 LYS 2 HD2 LYS 2 -2.369 -1.995 -5.042 17 HD3 LYS 2 HD3 LYS 2 -1.494 -2.078 -3.511 18 HE2 LYS 2 HE2 LYS 2 -3.803 -2.764 -3.207 19 HE3 LYS 2 HE3 LYS 2 -3.489 -1.262 -2.340 20 HZ1 LYS 2 HZ1 LYS 2 -5.474 -1.746 -4.211 21 HZ2 LYS 2 HZ2 LYS 2 -4.381 -0.693 -4.957 22 HZ3 LYS 2 HZ3 LYS 2 -5.088 -0.270 -3.480 23 H LYS 3 H LYS 3 0.350 -2.285 -6.876 24 HA LYS 3 HA LYS 3 2.513 -0.989 -8.398 25 HB2 LYS 3 HB2 LYS 3 2.013 -3.966 -8.305 26 HB3 LYS 3 HB3 LYS 3 3.346 -3.137 -9.098 27 HG2 LYS 3 HG2 LYS 3 3.812 -2.266 -6.657 28 HG3 LYS 3 HG3 LYS 3 2.914 -3.721 -6.217 29 HD2 LYS 3 HD2 LYS 3 5.118 -3.905 -8.224 30 HD3 LYS 3 HD3 LYS 3 5.515 -3.803 -6.507 31 HE2 LYS 3 HE2 LYS 3 3.594 -5.818 -7.656 32 HE3 LYS 3 HE3 LYS 3 5.315 -6.132 -7.438 33 HZ1 LYS 3 HZ1 LYS 3 3.974 -5.101 -5.096 34 HZ2 LYS 3 HZ2 LYS 3 5.070 -6.382 -5.241 35 HZ3 LYS 3 HZ3 LYS 3 3.433 -6.626 -5.592 36 H GLY 4 H GLY 4 2.050 -0.518 -10.462 37 HA2 GLY 4 HA2 GLY 4 0.157 -2.042 -11.999 38 HA3 GLY 4 HA3 GLY 4 -0.465 -0.470 -11.519 39 H THR 5 H THR 5 -0.329 -0.898 -14.136 40 HA THR 5 HA THR 5 2.206 0.032 -15.195 41 HB THR 5 HB THR 5 1.073 -0.106 -17.405 42 HG1 THR 5 HG1 THR 5 -1.082 0.285 -16.515 43 HG21 THR 5 HG21 THR 5 2.111 -2.101 -17.093 44 HG22 THR 5 HG22 THR 5 0.451 -2.691 -17.012 45 HG23 THR 5 HG23 THR 5 1.347 -2.374 -15.527 46 H VAL 6 H VAL 6 2.613 2.020 -16.076 47 HA VAL 6 HA VAL 6 0.904 4.180 -15.214 48 HB VAL 6 HB VAL 6 3.568 4.030 -15.420 49 HG11 VAL 6 HG11 VAL 6 3.447 3.844 -17.895 50 HG12 VAL 6 HG12 VAL 6 2.763 5.470 -17.944 51 HG13 VAL 6 HG13 VAL 6 4.400 5.218 -17.335 52 HG21 VAL 6 HG21 VAL 6 3.256 5.970 -14.388 53 HG22 VAL 6 HG22 VAL 6 2.991 6.744 -15.950 54 HG23 VAL 6 HG23 VAL 6 1.625 6.088 -15.049 55 H LYS 7 H LYS 7 -0.180 5.644 -16.508 56 HA LYS 7 HA LYS 7 -0.776 4.690 -19.213 57 HB2 LYS 7 HB2 LYS 7 -2.591 5.144 -17.463 58 HB3 LYS 7 HB3 LYS 7 -2.252 6.850 -17.719 59 HG2 LYS 7 HG2 LYS 7 -4.116 6.294 -19.067 60 HG3 LYS 7 HG3 LYS 7 -2.736 6.489 -20.150 61 HD2 LYS 7 HD2 LYS 7 -2.667 3.808 -19.470 62 HD3 LYS 7 HD3 LYS 7 -4.390 4.153 -19.639 63 HE2 LYS 7 HE2 LYS 7 -2.583 5.218 -21.731 64 HE3 LYS 7 HE3 LYS 7 -2.837 3.474 -21.703 65 HZ1 LYS 7 HZ1 LYS 7 -5.154 5.280 -21.576 66 HZ2 LYS 7 HZ2 LYS 7 -5.060 3.700 -22.171 67 HZ3 LYS 7 HZ3 LYS 7 -4.415 4.981 -23.068 68 H TRP 8 H TRP 8 0.544 7.404 -17.463 69 HA TRP 8 HA TRP 8 1.911 8.418 -19.698 70 HB2 TRP 8 HB2 TRP 8 0.711 10.371 -20.276 71 HB3 TRP 8 HB3 TRP 8 -0.495 9.088 -20.233 72 HD1 TRP 8 HD1 TRP 8 0.726 12.076 -18.115 73 HE1 TRP 8 HE1 TRP 8 -1.224 12.853 -16.625 74 HE3 TRP 8 HE3 TRP 8 -2.661 8.416 -19.238 75 HZ2 TRP 8 HZ2 TRP 8 -3.850 12.024 -16.008 76 HZ3 TRP 8 HZ3 TRP 8 -4.869 8.480 -18.154 77 HH2 TRP 8 HH2 TRP 8 -5.449 10.247 -16.573 78 H PHE 9 H PHE 9 3.490 9.817 -19.074 79 HA PHE 9 HA PHE 9 3.316 10.957 -16.370 80 HB2 PHE 9 HB2 PHE 9 4.699 8.976 -16.182 81 HB3 PHE 9 HB3 PHE 9 5.674 9.483 -17.557 82 HD1 PHE 9 HD1 PHE 9 4.961 10.010 -14.015 83 HD2 PHE 9 HD2 PHE 9 7.324 11.236 -17.336 84 HE1 PHE 9 HE1 PHE 9 6.492 11.182 -12.487 85 HE2 PHE 9 HE2 PHE 9 8.860 12.409 -15.814 86 HZ PHE 9 HZ PHE 9 8.445 12.385 -13.386 87 H ASN 10 H ASN 10 3.047 13.054 -16.950 88 HA ASN 10 HA ASN 10 4.387 14.296 -19.120 89 HB2 ASN 10 HB2 ASN 10 2.212 14.973 -17.757 90 HB3 ASN 10 HB3 ASN 10 3.373 15.917 -16.828 91 HD21 ASN 10 HD21 ASN 10 1.170 16.649 -18.709 92 HD22 ASN 10 HD22 ASN 10 1.907 17.712 -19.854 93 H ALA 11 H ALA 11 6.596 13.939 -18.903 94 HA ALA 11 HA ALA 11 8.057 14.559 -16.543 95 HB1 ALA 11 HB1 ALA 11 8.939 14.134 -19.392 96 HB2 ALA 11 HB2 ALA 11 10.049 14.367 -18.040 97 HB3 ALA 11 HB3 ALA 11 8.974 12.969 -18.068 98 H GLU 12 H GLU 12 7.078 16.383 -19.353 99 HA GLU 12 HA GLU 12 8.884 18.539 -19.082 100 HB2 GLU 12 HB2 GLU 12 7.572 18.090 -21.130 101 HB3 GLU 12 HB3 GLU 12 6.105 18.544 -20.274 102 HG2 GLU 12 HG2 GLU 12 6.675 20.783 -20.213 103 HG3 GLU 12 HG3 GLU 12 8.390 20.458 -20.459 104 H LYS 13 H LYS 13 5.565 18.061 -17.914 105 HA LYS 13 HA LYS 13 5.500 20.587 -16.552 106 HB2 LYS 13 HB2 LYS 13 3.667 18.188 -16.396 107 HB3 LYS 13 HB3 LYS 13 3.356 19.732 -15.614 108 HG2 LYS 13 HG2 LYS 13 3.858 19.687 -18.547 109 HG3 LYS 13 HG3 LYS 13 2.291 19.153 -17.934 110 HD2 LYS 13 HD2 LYS 13 3.516 21.772 -17.113 111 HD3 LYS 13 HD3 LYS 13 2.528 21.617 -18.567 112 HE2 LYS 13 HE2 LYS 13 1.599 20.764 -15.832 113 HE3 LYS 13 HE3 LYS 13 1.313 22.374 -16.492 114 HZ1 LYS 13 HZ1 LYS 13 0.551 20.289 -18.300 115 HZ2 LYS 13 HZ2 LYS 13 -0.337 21.621 -17.756 116 HZ3 LYS 13 HZ3 LYS 13 -0.289 20.203 -16.834 117 H GLY 14 H GLY 14 6.198 17.255 -15.694 118 HA2 GLY 14 HA2 GLY 14 7.684 16.750 -13.886 119 HA3 GLY 14 HA3 GLY 14 7.138 18.211 -13.076 120 H TYR 15 H TYR 15 4.717 16.253 -14.524 121 HA TYR 15 HA TYR 15 4.151 14.898 -11.989 122 HB2 TYR 15 HB2 TYR 15 1.917 15.652 -11.870 123 HB3 TYR 15 HB3 TYR 15 2.863 17.096 -12.211 124 HD1 TYR 15 HD1 TYR 15 0.469 14.674 -13.584 125 HD2 TYR 15 HD2 TYR 15 2.658 18.247 -14.323 126 HE1 TYR 15 HE1 TYR 15 -0.942 15.125 -15.547 127 HE2 TYR 15 HE2 TYR 15 1.251 18.709 -16.287 128 HH TYR 15 HH TYR 15 -0.600 18.113 -17.408 129 H GLY 16 H GLY 16 2.168 13.382 -12.334 130 HA2 GLY 16 HA2 GLY 16 1.662 12.403 -14.958 131 HA3 GLY 16 HA3 GLY 16 2.860 11.406 -14.147 132 H PHE 17 H PHE 17 0.687 10.106 -14.846 133 HA PHE 17 HA PHE 17 -0.657 9.624 -12.293 134 HB2 PHE 17 HB2 PHE 17 -1.983 10.346 -14.878 135 HB3 PHE 17 HB3 PHE 17 -2.792 9.234 -13.778 136 HD1 PHE 17 HD2 PHE 17 -1.187 12.589 -13.869 137 HD2 PHE 17 HD1 PHE 17 -4.101 10.065 -12.064 138 HE1 PHE 17 HE2 PHE 17 -2.033 14.500 -12.570 139 HE2 PHE 17 HE1 PHE 17 -4.952 11.972 -10.763 140 HZ PHE 17 HZ PHE 17 -3.918 14.193 -11.015 141 H ILE 18 H ILE 18 -0.609 7.537 -11.797 142 HA ILE 18 HA ILE 18 0.064 5.609 -13.896 143 HB ILE 18 HB ILE 18 0.089 5.253 -10.896 144 HG12 ILE 18 HG12 ILE 18 2.532 5.374 -12.629 145 HG13 ILE 18 HG13 ILE 18 1.772 6.868 -12.094 146 HG21 ILE 18 HG21 ILE 18 1.607 3.281 -11.649 147 HG22 ILE 18 HG22 ILE 18 -0.146 3.109 -11.719 148 HG23 ILE 18 HG23 ILE 18 0.764 3.459 -13.188 149 HD11 ILE 18 HD11 ILE 18 3.145 4.765 -10.489 150 HD12 ILE 18 HD12 ILE 18 3.371 6.514 -10.481 151 HD13 ILE 18 HD13 ILE 18 1.936 5.807 -9.738 152 H GLN 19 H GLN 19 -1.057 3.622 -14.100 153 HA GLN 19 HA GLN 19 -3.844 3.761 -13.167 154 HB2 GLN 19 HB2 GLN 19 -2.640 3.135 -15.731 155 HB3 GLN 19 HB3 GLN 19 -3.706 1.845 -15.190 156 HG2 GLN 19 HG2 GLN 19 -4.662 3.761 -16.627 157 HG3 GLN 19 HG3 GLN 19 -5.577 3.185 -15.234 158 HE21 GLN 19 HE21 GLN 19 -2.783 5.346 -15.459 159 HE22 GLN 19 HE22 GLN 19 -3.543 6.694 -14.691 160 H GLN 20 H GLN 20 -4.589 2.239 -11.836 161 HA GLN 20 HA GLN 20 -3.050 -0.257 -11.565 162 HB2 GLN 20 HB2 GLN 20 -3.306 1.747 -9.631 163 HB3 GLN 20 HB3 GLN 20 -4.423 0.486 -9.126 164 HG2 GLN 20 HG2 GLN 20 -1.651 -0.261 -9.915 165 HG3 GLN 20 HG3 GLN 20 -1.935 0.470 -8.336 166 HE21 GLN 20 HE21 GLN 20 -2.475 -2.297 -10.357 167 HE22 GLN 20 HE22 GLN 20 -3.049 -3.350 -9.115 168 H GLU 21 H GLU 21 -4.235 -2.124 -10.998 169 HA GLU 21 HA GLU 21 -6.983 -2.053 -11.928 170 HB2 GLU 21 HB2 GLU 21 -6.857 -4.468 -11.948 171 HB3 GLU 21 HB3 GLU 21 -5.421 -3.806 -12.715 172 HG2 GLU 21 HG2 GLU 21 -4.076 -4.298 -10.830 173 HG3 GLU 21 HG3 GLU 21 -5.486 -4.674 -9.841 174 H GLU 22 H GLU 22 -5.453 -1.690 -9.006 175 HA GLU 22 HA GLU 22 -7.770 -2.748 -7.524 176 HB2 GLU 22 HB2 GLU 22 -5.086 -2.173 -6.294 177 HB3 GLU 22 HB3 GLU 22 -6.387 -3.172 -5.662 178 HG2 GLU 22 HG2 GLU 22 -5.979 -4.706 -7.633 179 HG3 GLU 22 HG3 GLU 22 -4.500 -3.789 -7.911 180 H GLY 23 H GLY 23 -6.609 0.027 -8.726 181 HA2 GLY 23 HA2 GLY 23 -8.259 1.806 -7.572 182 HA3 GLY 23 HA3 GLY 23 -6.958 1.717 -6.394 183 HA PRO 24 HA PRO 24 -5.125 3.545 -10.506 184 HB2 PRO 24 HB2 PRO 24 -6.960 4.503 -12.262 185 HB3 PRO 24 HB3 PRO 24 -6.344 2.848 -12.324 186 HG2 PRO 24 HG2 PRO 24 -8.906 3.873 -11.164 187 HG3 PRO 24 HG3 PRO 24 -8.624 2.426 -12.148 188 HD2 PRO 24 HD2 PRO 24 -8.894 2.326 -9.456 189 HD3 PRO 24 HD3 PRO 24 -7.855 1.201 -10.354 190 H ASP 25 H ASP 25 -5.837 5.883 -11.770 191 HA ASP 25 HA ASP 25 -5.865 8.133 -11.427 192 HB2 ASP 25 HB2 ASP 25 -8.292 7.465 -10.969 193 HB3 ASP 25 HB3 ASP 25 -7.895 7.615 -9.260 194 H VAL 26 H VAL 26 -3.682 7.914 -10.548 195 HA VAL 26 HA VAL 26 -3.599 8.654 -7.696 196 HB VAL 26 HB VAL 26 -2.575 6.329 -8.608 197 HG11 VAL 26 HG11 VAL 26 -0.989 7.795 -10.024 198 HG12 VAL 26 HG12 VAL 26 -0.138 8.066 -8.502 199 HG13 VAL 26 HG13 VAL 26 -0.315 6.429 -9.135 200 HG21 VAL 26 HG21 VAL 26 -2.794 7.149 -6.262 201 HG22 VAL 26 HG22 VAL 26 -1.325 6.223 -6.568 202 HG23 VAL 26 HG23 VAL 26 -1.252 7.981 -6.462 203 H PHE 27 H PHE 27 -2.077 10.207 -7.086 204 HA PHE 27 HA PHE 27 -1.166 11.904 -9.289 205 HB2 PHE 27 HB2 PHE 27 -2.504 12.587 -7.050 206 HB3 PHE 27 HB3 PHE 27 -0.852 12.808 -6.484 207 HD1 PHE 27 HD1 PHE 27 0.547 13.857 -8.770 208 HD2 PHE 27 HD2 PHE 27 -3.411 14.664 -7.430 209 HE1 PHE 27 HE1 PHE 27 0.628 16.057 -9.867 210 HE2 PHE 27 HE2 PHE 27 -3.337 16.866 -8.526 211 HZ PHE 27 HZ PHE 27 -1.315 17.566 -9.746 212 H VAL 28 H VAL 28 0.871 11.784 -9.930 213 HA VAL 28 HA VAL 28 2.953 11.171 -7.941 214 HB VAL 28 HB VAL 28 3.995 9.587 -9.243 215 HG11 VAL 28 HG11 VAL 28 1.385 8.921 -10.446 216 HG12 VAL 28 HG12 VAL 28 2.457 7.943 -9.442 217 HG13 VAL 28 HG13 VAL 28 1.400 9.144 -8.697 218 HG21 VAL 28 HG21 VAL 28 4.302 10.821 -11.253 219 HG22 VAL 28 HG22 VAL 28 3.519 9.304 -11.696 220 HG23 VAL 28 HG23 VAL 28 2.575 10.792 -11.610 221 H HIS 29 H HIS 29 4.870 12.263 -8.159 222 HA HIS 29 HA HIS 29 5.005 14.249 -10.332 223 HB2 HIS 29 HB2 HIS 29 5.357 14.543 -7.400 224 HB3 HIS 29 HB3 HIS 29 6.473 15.445 -8.422 225 HD1 HIS 29 HD1 HIS 29 5.247 17.583 -7.386 226 HD2 HIS 29 HD2 HIS 29 2.950 15.217 -9.912 227 HE1 HIS 29 HE1 HIS 29 3.272 19.003 -8.024 228 H PHE 30 H PHE 30 7.162 14.918 -10.957 229 HA PHE 30 HA PHE 30 8.878 12.793 -11.478 230 HB2 PHE 30 HB2 PHE 30 10.360 14.370 -12.422 231 HB3 PHE 30 HB3 PHE 30 8.759 15.074 -12.632 232 HD1 PHE 30 HD2 PHE 30 7.999 16.649 -10.649 233 HD2 PHE 30 HD1 PHE 30 12.037 15.704 -11.607 234 HE1 PHE 30 HE2 PHE 30 8.746 18.691 -9.499 235 HE2 PHE 30 HE1 PHE 30 12.791 17.744 -10.457 236 HZ PHE 30 HZ PHE 30 11.144 19.242 -9.402 237 H THR 31 H THR 31 8.615 14.806 -8.688 238 HA THR 31 HA THR 31 11.216 13.974 -7.657 239 HB THR 31 HB THR 31 10.363 15.389 -5.627 240 HG1 THR 31 HG1 THR 31 8.208 15.590 -6.455 241 HG21 THR 31 HG21 THR 31 12.086 16.501 -6.553 242 HG22 THR 31 HG22 THR 31 10.838 17.491 -7.309 243 HG23 THR 31 HG23 THR 31 11.554 16.145 -8.196 244 H ALA 32 H ALA 32 8.761 12.206 -8.013 245 HA ALA 32 HA ALA 32 8.666 11.203 -5.242 246 HB1 ALA 32 HB1 ALA 32 6.464 10.746 -7.228 247 HB2 ALA 32 HB2 ALA 32 6.422 10.590 -5.472 248 HB3 ALA 32 HB3 ALA 32 6.512 12.188 -6.213 249 H ILE 33 H ILE 33 9.762 10.611 -8.312 250 HA ILE 33 HA ILE 33 9.385 7.728 -8.255 251 HB ILE 33 HB ILE 33 10.803 9.510 -10.237 252 HG12 ILE 33 HG12 ILE 33 8.781 8.325 -11.588 253 HG13 ILE 33 HG13 ILE 33 8.067 8.406 -9.981 254 HG21 ILE 33 HG21 ILE 33 10.335 7.073 -11.454 255 HG22 ILE 33 HG22 ILE 33 11.890 7.676 -10.882 256 HG23 ILE 33 HG23 ILE 33 10.911 6.638 -9.845 257 HD11 ILE 33 HD11 ILE 33 8.828 10.598 -11.835 258 HD12 ILE 33 HD12 ILE 33 7.372 10.391 -10.861 259 HD13 ILE 33 HD13 ILE 33 8.880 10.895 -10.097 260 H GLU 34 H GLU 34 10.864 6.278 -7.618 261 HA GLU 34 HA GLU 34 13.519 7.295 -6.843 262 HB2 GLU 34 HB2 GLU 34 12.065 4.904 -5.700 263 HB3 GLU 34 HB3 GLU 34 13.589 5.576 -5.135 264 HG2 GLU 34 HG2 GLU 34 11.479 7.558 -5.171 265 HG3 GLU 34 HG3 GLU 34 11.066 6.161 -4.177 266 H ALA 35 H ALA 35 14.419 6.900 -8.901 267 HA ALA 35 HA ALA 35 14.852 4.042 -9.477 268 HB1 ALA 35 HB1 ALA 35 13.469 5.727 -11.108 269 HB2 ALA 35 HB2 ALA 35 15.100 5.850 -11.768 270 HB3 ALA 35 HB3 ALA 35 14.317 4.275 -11.641 271 H ASP 36 H ASP 36 16.818 3.886 -11.102 272 HA ASP 36 HA ASP 36 19.036 5.215 -9.749 273 HB2 ASP 36 HB2 ASP 36 18.729 2.742 -11.383 274 HB3 ASP 36 HB3 ASP 36 20.299 3.541 -11.393 275 H GLY 37 H GLY 37 18.468 7.285 -10.792 276 HA2 GLY 37 HA2 GLY 37 20.068 8.442 -12.439 277 HA3 GLY 37 HA3 GLY 37 19.280 7.408 -13.621 278 H PHE 38 H PHE 38 17.734 8.364 -14.744 279 HA PHE 38 HA PHE 38 16.683 10.909 -13.956 280 HB2 PHE 38 HB2 PHE 38 17.134 9.935 -16.353 281 HB3 PHE 38 HB3 PHE 38 15.504 9.293 -16.184 282 HD1 PHE 38 HD2 PHE 38 13.861 11.217 -15.090 283 HD2 PHE 38 HD1 PHE 38 17.254 11.856 -17.578 284 HE1 PHE 38 HE2 PHE 38 12.935 13.386 -15.789 285 HE2 PHE 38 HE1 PHE 38 16.334 14.027 -18.282 286 HZ PHE 38 HZ PHE 38 14.171 14.794 -17.388 287 H ARG 39 H ARG 39 15.156 11.114 -12.465 288 HA ARG 39 HA ARG 39 13.455 9.001 -11.644 289 HB2 ARG 39 HB2 ARG 39 12.980 11.930 -11.113 290 HB3 ARG 39 HB3 ARG 39 12.497 10.558 -10.125 291 HG2 ARG 39 HG2 ARG 39 15.304 11.549 -10.573 292 HG3 ARG 39 HG3 ARG 39 14.350 11.696 -9.095 293 HD2 ARG 39 HD2 ARG 39 14.228 9.156 -9.108 294 HD3 ARG 39 HD3 ARG 39 15.482 9.208 -10.346 295 HE ARG 39 HE ARG 39 17.005 9.654 -8.709 296 HH11 ARG 39 HH11 ARG 39 13.826 10.414 -7.511 297 HH12 ARG 39 HH12 ARG 39 14.371 10.754 -5.902 298 HH21 ARG 39 HH21 ARG 39 17.735 10.098 -6.594 299 HH22 ARG 39 HH22 ARG 39 16.595 10.575 -5.382 300 H THR 40 H THR 40 12.120 8.206 -13.190 301 HA THR 40 HA THR 40 9.721 9.538 -13.773 302 HB THR 40 HB THR 40 10.958 10.930 -15.295 303 HG1 THR 40 HG1 THR 40 9.998 10.030 -17.361 304 HG21 THR 40 HG21 THR 40 12.906 9.412 -15.561 305 HG22 THR 40 HG22 THR 40 12.319 10.060 -17.093 306 HG23 THR 40 HG23 THR 40 11.933 8.403 -16.630 307 H LEU 41 H LEU 41 8.340 8.304 -15.286 308 HA LEU 41 HA LEU 41 9.105 5.463 -15.280 309 HB2 LEU 41 HB2 LEU 41 6.302 6.488 -15.558 310 HB3 LEU 41 HB3 LEU 41 6.846 4.889 -15.054 311 HG LEU 41 HG LEU 41 7.085 7.421 -13.428 312 HD11 LEU 41 HD11 LEU 41 5.015 5.340 -13.650 313 HD12 LEU 41 HD12 LEU 41 4.894 7.015 -13.112 314 HD13 LEU 41 HD13 LEU 41 5.494 5.776 -12.009 315 HD21 LEU 41 HD21 LEU 41 8.490 4.965 -13.269 316 HD22 LEU 41 HD22 LEU 41 7.365 5.033 -11.912 317 HD23 LEU 41 HD23 LEU 41 8.535 6.331 -12.154 318 H ASN 42 H ASN 42 7.442 4.336 -17.016 319 HA ASN 42 HA ASN 42 7.812 5.772 -19.558 320 HB2 ASN 42 HB2 ASN 42 8.415 2.864 -18.988 321 HB3 ASN 42 HB3 ASN 42 8.342 3.554 -20.606 322 HD21 ASN 42 HD21 ASN 42 10.492 2.414 -18.704 323 HD22 ASN 42 HD22 ASN 42 11.790 3.542 -18.871 324 H GLU 43 H GLU 43 6.056 5.861 -20.809 325 HA GLU 43 HA GLU 43 3.546 5.018 -19.929 326 HB2 GLU 43 HB2 GLU 43 3.781 6.825 -21.523 327 HB3 GLU 43 HB3 GLU 43 4.479 5.735 -22.712 328 HG2 GLU 43 HG2 GLU 43 2.311 4.476 -22.686 329 HG3 GLU 43 HG3 GLU 43 1.649 5.782 -21.705 330 H GLY 44 H GLY 44 2.686 3.058 -19.823 331 HA2 GLY 44 HA2 GLY 44 1.937 1.019 -20.733 332 HA3 GLY 44 HA3 GLY 44 3.164 1.153 -21.984 333 H GLU 45 H GLU 45 4.526 1.838 -19.016 334 HA GLU 45 HA GLU 45 5.598 -0.895 -18.837 335 HB2 GLU 45 HB2 GLU 45 7.224 0.928 -19.298 336 HB3 GLU 45 HB3 GLU 45 6.785 1.670 -17.765 337 HG2 GLU 45 HG2 GLU 45 7.900 0.121 -16.530 338 HG3 GLU 45 HG3 GLU 45 7.675 -1.157 -17.723 339 H HIS 46 H HIS 46 6.136 -1.690 -16.665 340 HA HIS 46 HA HIS 46 3.963 -1.104 -14.822 341 HB2 HIS 46 HB2 HIS 46 6.102 -3.177 -14.396 342 HB3 HIS 46 HB3 HIS 46 4.453 -3.157 -13.777 343 HD1 HIS 46 HD1 HIS 46 2.659 -4.214 -15.210 344 HD2 HIS 46 HD2 HIS 46 6.318 -3.913 -17.154 345 HE1 HIS 46 HE1 HIS 46 2.409 -5.553 -17.324 346 H VAL 47 H VAL 47 4.202 -0.341 -12.751 347 HA VAL 47 HA VAL 47 6.802 0.107 -11.597 348 HB VAL 47 HB VAL 47 6.283 2.615 -11.307 349 HG11 VAL 47 HG11 VAL 47 7.859 3.021 -12.864 350 HG12 VAL 47 HG12 VAL 47 7.919 1.261 -12.978 351 HG13 VAL 47 HG13 VAL 47 6.967 2.189 -14.137 352 HG21 VAL 47 HG21 VAL 47 4.741 3.645 -12.609 353 HG22 VAL 47 HG22 VAL 47 4.948 2.512 -13.944 354 HG23 VAL 47 HG23 VAL 47 3.974 2.059 -12.546 355 H GLU 48 H GLU 48 6.711 0.337 -9.407 356 HA GLU 48 HA GLU 48 4.061 0.079 -8.201 357 HB2 GLU 48 HB2 GLU 48 5.519 -1.623 -7.459 358 HB3 GLU 48 HB3 GLU 48 6.847 -0.496 -7.222 359 HG2 GLU 48 HG2 GLU 48 5.684 0.502 -5.334 360 HG3 GLU 48 HG3 GLU 48 4.327 -0.595 -5.580 361 H PHE 49 H PHE 49 3.112 1.702 -7.166 362 HA PHE 49 HA PHE 49 4.779 3.967 -6.286 363 HB2 PHE 49 HB2 PHE 49 2.786 5.411 -6.738 364 HB3 PHE 49 HB3 PHE 49 3.481 4.683 -8.182 365 HD1 PHE 49 HD1 PHE 49 2.359 2.677 -9.189 366 HD2 PHE 49 HD2 PHE 49 0.551 5.031 -6.138 367 HE1 PHE 49 HE1 PHE 49 0.159 1.747 -9.780 368 HE2 PHE 49 HE2 PHE 49 -1.652 4.105 -6.724 369 HZ PHE 49 HZ PHE 49 -1.850 2.460 -8.546 370 H GLU 50 H GLU 50 4.337 4.887 -4.308 371 HA GLU 50 HA GLU 50 2.553 3.322 -2.578 372 HB2 GLU 50 HB2 GLU 50 4.998 4.984 -2.035 373 HB3 GLU 50 HB3 GLU 50 3.879 4.570 -0.743 374 HG2 GLU 50 HG2 GLU 50 4.216 2.181 -1.267 375 HG3 GLU 50 HG3 GLU 50 5.416 2.646 -2.472 376 H VAL 51 H VAL 51 0.581 4.267 -2.796 377 HA VAL 51 HA VAL 51 0.113 7.037 -3.028 378 HB VAL 51 HB VAL 51 -2.236 6.507 -2.468 379 HG11 VAL 51 HG11 VAL 51 -2.570 5.787 -4.558 380 HG12 VAL 51 HG12 VAL 51 -0.811 5.782 -4.700 381 HG13 VAL 51 HG13 VAL 51 -1.668 4.297 -4.284 382 HG21 VAL 51 HG21 VAL 51 -2.734 4.756 -1.199 383 HG22 VAL 51 HG22 VAL 51 -2.133 3.674 -2.455 384 HG23 VAL 51 HG23 VAL 51 -1.041 4.259 -1.200 385 H GLU 52 H GLU 52 0.383 8.566 -1.553 386 HA GLU 52 HA GLU 52 0.257 7.826 1.291 387 HB2 GLU 52 HB2 GLU 52 2.031 9.514 -0.249 388 HB3 GLU 52 HB3 GLU 52 1.309 10.414 1.077 389 HG2 GLU 52 HG2 GLU 52 2.052 8.021 2.237 390 HG3 GLU 52 HG3 GLU 52 3.365 8.376 1.116 391 HA PRO 53 HA PRO 53 -3.299 10.290 2.018 392 HB2 PRO 53 HB2 PRO 53 -2.766 11.342 4.464 393 HB3 PRO 53 HB3 PRO 53 -3.171 9.639 4.218 394 HG2 PRO 53 HG2 PRO 53 -0.487 10.915 4.576 395 HG3 PRO 53 HG3 PRO 53 -1.117 9.417 5.286 396 HD2 PRO 53 HD2 PRO 53 0.545 9.429 3.149 397 HD3 PRO 53 HD3 PRO 53 -0.707 8.191 3.378 398 H GLY 54 H GLY 54 -1.264 12.384 3.919 399 HA2 GLY 54 HA2 GLY 54 -2.134 14.684 2.433 400 HA3 GLY 54 HA3 GLY 54 -1.055 14.684 3.820 401 H ARG 55 H ARG 55 -0.929 13.347 0.514 402 HA ARG 55 HA ARG 55 1.578 14.826 0.107 403 HB2 ARG 55 HB2 ARG 55 1.082 11.889 -0.284 404 HB3 ARG 55 HB3 ARG 55 2.303 12.725 -1.234 405 HG2 ARG 55 HG2 ARG 55 2.279 12.873 1.758 406 HG3 ARG 55 HG3 ARG 55 3.044 11.535 0.899 407 HD2 ARG 55 HD2 ARG 55 4.865 12.813 0.780 408 HD3 ARG 55 HD3 ARG 55 3.989 13.784 -0.402 409 HE ARG 55 HE ARG 55 3.478 14.532 2.327 410 HH11 ARG 55 HH11 ARG 55 5.562 14.970 -0.427 411 HH12 ARG 55 HH12 ARG 55 6.114 16.534 0.076 412 HH21 ARG 55 HH21 ARG 55 4.197 16.589 3.000 413 HH22 ARG 55 HH22 ARG 55 5.337 17.453 2.025 414 H GLY 56 H GLY 56 -1.114 13.060 -1.367 415 HA2 GLY 56 HA2 GLY 56 -0.557 14.259 -3.966 416 HA3 GLY 56 HA3 GLY 56 -1.797 13.065 -3.613 417 H GLY 57 H GLY 57 -1.640 15.907 -4.873 418 HA2 GLY 57 HA2 GLY 57 -3.030 17.779 -3.432 419 HA3 GLY 57 HA3 GLY 57 -3.203 17.571 -5.168 420 H LYS 58 H LYS 58 -4.320 14.905 -4.992 421 HA LYS 58 HA LYS 58 -7.034 15.666 -4.189 422 HB2 LYS 58 HB2 LYS 58 -5.888 13.784 -6.194 423 HB3 LYS 58 HB3 LYS 58 -7.449 13.378 -5.492 424 HG2 LYS 58 HG2 LYS 58 -8.174 14.574 -7.268 425 HG3 LYS 58 HG3 LYS 58 -7.958 15.906 -6.129 426 HD2 LYS 58 HD2 LYS 58 -6.795 16.770 -7.881 427 HD3 LYS 58 HD3 LYS 58 -5.493 15.834 -7.145 428 HE2 LYS 58 HE2 LYS 58 -5.512 14.256 -8.791 429 HE3 LYS 58 HE3 LYS 58 -7.234 14.456 -9.113 430 HZ1 LYS 58 HZ1 LYS 58 -6.313 15.401 -10.964 431 HZ2 LYS 58 HZ2 LYS 58 -4.960 15.999 -10.145 432 HZ3 LYS 58 HZ3 LYS 58 -6.457 16.769 -9.979 433 H GLY 59 H GLY 59 -4.434 13.585 -3.334 434 HA2 GLY 59 HA2 GLY 59 -5.093 12.869 -0.866 435 HA3 GLY 59 HA3 GLY 59 -6.137 11.794 -1.784 436 HA PRO 60 HA PRO 60 -2.854 8.882 -1.900 437 HB2 PRO 60 HB2 PRO 60 -3.590 7.453 -4.088 438 HB3 PRO 60 HB3 PRO 60 -4.434 7.341 -2.539 439 HG2 PRO 60 HG2 PRO 60 -5.162 8.907 -4.984 440 HG3 PRO 60 HG3 PRO 60 -6.204 7.941 -3.923 441 HD2 PRO 60 HD2 PRO 60 -6.057 10.640 -3.757 442 HD3 PRO 60 HD3 PRO 60 -6.353 9.611 -2.341 443 H GLN 61 H GLN 61 -0.854 9.485 -2.452 444 HA GLN 61 HA GLN 61 -0.339 10.191 -5.266 445 HB2 GLN 61 HB2 GLN 61 0.129 12.210 -4.306 446 HB3 GLN 61 HB3 GLN 61 0.516 11.501 -2.744 447 HG2 GLN 61 HG2 GLN 61 2.684 10.846 -3.502 448 HG3 GLN 61 HG3 GLN 61 2.300 11.315 -5.158 449 HE21 GLN 61 HE21 GLN 61 1.295 13.721 -5.058 450 HE22 GLN 61 HE22 GLN 61 2.360 14.852 -4.303 451 H ALA 62 H ALA 62 1.730 9.597 -6.110 452 HA ALA 62 HA ALA 62 2.606 7.029 -5.172 453 HB1 ALA 62 HB1 ALA 62 3.498 8.788 -7.444 454 HB2 ALA 62 HB2 ALA 62 4.232 7.223 -7.088 455 HB3 ALA 62 HB3 ALA 62 2.525 7.318 -7.522 456 H LYS 63 H LYS 63 3.113 8.417 -3.046 457 HA LYS 63 HA LYS 63 5.317 9.983 -2.711 458 HB2 LYS 63 HB2 LYS 63 3.643 8.482 -1.039 459 HB3 LYS 63 HB3 LYS 63 5.274 7.954 -0.646 460 HG2 LYS 63 HG2 LYS 63 4.141 10.731 -0.496 461 HG3 LYS 63 HG3 LYS 63 4.769 9.732 0.817 462 HD2 LYS 63 HD2 LYS 63 6.691 10.837 0.535 463 HD3 LYS 63 HD3 LYS 63 6.893 9.877 -0.932 464 HE2 LYS 63 HE2 LYS 63 6.576 11.650 -2.254 465 HE3 LYS 63 HE3 LYS 63 5.173 12.188 -1.331 466 HZ1 LYS 63 HZ1 LYS 63 8.023 12.710 -0.682 467 HZ2 LYS 63 HZ2 LYS 63 6.723 13.132 0.314 468 HZ3 LYS 63 HZ3 LYS 63 6.883 13.842 -1.213 469 H LYS 64 H LYS 64 5.250 6.482 -3.131 470 HA LYS 64 HA LYS 64 8.163 6.555 -3.543 471 HB2 LYS 64 HB2 LYS 64 6.950 5.312 -1.406 472 HB3 LYS 64 HB3 LYS 64 7.122 3.997 -2.561 473 HG2 LYS 64 HG2 LYS 64 9.421 4.080 -2.522 474 HG3 LYS 64 HG3 LYS 64 9.456 5.763 -1.991 475 HD2 LYS 64 HD2 LYS 64 8.679 5.103 0.218 476 HD3 LYS 64 HD3 LYS 64 8.566 3.421 -0.307 477 HE2 LYS 64 HE2 LYS 64 10.607 3.787 0.961 478 HE3 LYS 64 HE3 LYS 64 10.982 3.395 -0.716 479 HZ1 LYS 64 HZ1 LYS 64 12.217 5.325 0.396 480 HZ2 LYS 64 HZ2 LYS 64 10.791 6.203 0.165 481 HZ3 LYS 64 HZ3 LYS 64 11.613 5.562 -1.166 482 H VAL 65 H VAL 65 8.288 6.376 -5.706 483 HA VAL 65 HA VAL 65 6.680 4.300 -7.032 484 HB VAL 65 HB VAL 65 7.478 6.975 -7.807 485 HG11 VAL 65 HG11 VAL 65 9.239 5.918 -9.058 486 HG12 VAL 65 HG12 VAL 65 8.113 4.732 -9.720 487 HG13 VAL 65 HG13 VAL 65 7.975 6.430 -10.177 488 HG21 VAL 65 HG21 VAL 65 5.202 5.666 -7.817 489 HG22 VAL 65 HG22 VAL 65 5.532 6.910 -9.023 490 HG23 VAL 65 HG23 VAL 65 5.721 5.206 -9.439 491 H ARG 66 H ARG 66 7.630 2.717 -8.260 492 HA ARG 66 HA ARG 66 10.567 2.669 -8.370 493 HB2 ARG 66 HB2 ARG 66 8.718 0.631 -7.214 494 HB3 ARG 66 HB3 ARG 66 10.161 0.072 -8.049 495 HG2 ARG 66 HG2 ARG 66 10.471 2.193 -5.995 496 HG3 ARG 66 HG3 ARG 66 10.148 0.544 -5.457 497 HD2 ARG 66 HD2 ARG 66 12.064 -0.058 -7.133 498 HD3 ARG 66 HD3 ARG 66 12.502 1.637 -6.930 499 HE ARG 66 HE ARG 66 13.227 1.168 -4.804 500 HH11 ARG 66 HH11 ARG 66 11.365 -1.513 -6.015 501 HH12 ARG 66 HH12 ARG 66 11.782 -2.564 -4.703 502 HH21 ARG 66 HH21 ARG 66 13.782 -0.207 -3.070 503 HH22 ARG 66 HH22 ARG 66 13.156 -1.820 -3.027 504 H ARG 67 H ARG 67 11.458 1.740 -10.185 505 HA ARG 67 HA ARG 67 9.731 1.555 -12.476 506 HB2 ARG 67 HB2 ARG 67 12.672 1.513 -11.998 507 HB3 ARG 67 HB3 ARG 67 12.073 0.815 -13.497 508 HG2 ARG 67 HG2 ARG 67 10.863 2.985 -13.895 509 HG3 ARG 67 HG3 ARG 67 11.765 3.642 -12.528 510 HD2 ARG 67 HD2 ARG 67 13.027 4.251 -14.400 511 HD3 ARG 67 HD3 ARG 67 13.857 2.835 -13.756 512 HE ARG 67 HE ARG 67 12.058 1.909 -15.644 513 HH11 ARG 67 HH11 ARG 67 14.843 3.996 -15.552 514 HH12 ARG 67 HH12 ARG 67 15.326 3.639 -17.177 515 HH21 ARG 67 HH21 ARG 67 12.684 1.431 -17.785 516 HH22 ARG 67 HH22 ARG 67 14.097 2.181 -18.447 517 H ILE 68 H ILE 68 9.024 -0.227 -13.504 518 HA ILE 68 HA ILE 68 10.141 -2.834 -12.776 519 HB ILE 68 HB ILE 68 7.162 -2.413 -12.886 520 HG12 ILE 68 HG12 ILE 68 8.255 -1.111 -11.015 521 HG13 ILE 68 HG13 ILE 68 7.084 -2.321 -10.500 522 HG21 ILE 68 HG21 ILE 68 7.490 -4.589 -11.400 523 HG22 ILE 68 HG22 ILE 68 7.441 -4.653 -13.161 524 HG23 ILE 68 HG23 ILE 68 8.991 -4.677 -12.321 525 HD11 ILE 68 HD11 ILE 68 8.658 -3.620 -9.514 526 HD12 ILE 68 HD12 ILE 68 9.926 -3.137 -10.640 527 HD13 ILE 68 HD13 ILE 68 9.440 -2.049 -9.340 Start of MODEL 11 1 H1 MET 1 H MET 1 0.785 2.166 -0.226 2 HA MET 1 HA MET 1 2.860 0.880 -1.633 3 HB2 MET 1 HB2 MET 1 2.363 0.551 0.783 4 HB3 MET 1 HB3 MET 1 0.920 -0.348 0.334 5 HG2 MET 1 HG2 MET 1 2.279 -2.115 0.572 6 HG3 MET 1 HG3 MET 1 2.751 -1.704 -1.076 7 HE1 MET 1 HE1 MET 1 5.343 -2.181 2.435 8 HE2 MET 1 HE2 MET 1 3.645 -2.592 2.196 9 HE3 MET 1 HE3 MET 1 4.886 -3.361 1.206 10 H LYS 2 H LYS 2 1.552 1.203 -3.750 11 HA LYS 2 HA LYS 2 0.238 -1.361 -4.341 12 HB2 LYS 2 HB2 LYS 2 -0.645 1.363 -5.313 13 HB3 LYS 2 HB3 LYS 2 -1.302 -0.167 -5.878 14 HG2 LYS 2 HG2 LYS 2 -1.383 0.691 -2.998 15 HG3 LYS 2 HG3 LYS 2 -2.669 1.043 -4.155 16 HD2 LYS 2 HD2 LYS 2 -2.525 -1.545 -4.605 17 HD3 LYS 2 HD3 LYS 2 -1.820 -1.566 -2.987 18 HE2 LYS 2 HE2 LYS 2 -4.108 -1.889 -2.626 19 HE3 LYS 2 HE3 LYS 2 -3.851 -0.179 -2.285 20 HZ1 LYS 2 HZ1 LYS 2 -5.319 -1.438 -4.460 21 HZ2 LYS 2 HZ2 LYS 2 -4.442 -0.047 -4.857 22 HZ3 LYS 2 HZ3 LYS 2 -5.622 0.014 -3.647 23 H LYS 3 H LYS 3 0.393 -2.042 -6.560 24 HA LYS 3 HA LYS 3 2.545 -0.719 -8.072 25 HB2 LYS 3 HB2 LYS 3 2.195 -3.707 -8.022 26 HB3 LYS 3 HB3 LYS 3 3.577 -2.779 -8.589 27 HG2 LYS 3 HG2 LYS 3 4.138 -2.156 -6.325 28 HG3 LYS 3 HG3 LYS 3 2.693 -2.967 -5.716 29 HD2 LYS 3 HD2 LYS 3 4.683 -4.347 -5.395 30 HD3 LYS 3 HD3 LYS 3 3.554 -5.110 -6.517 31 HE2 LYS 3 HE2 LYS 3 5.566 -3.362 -7.758 32 HE3 LYS 3 HE3 LYS 3 6.210 -4.804 -6.975 33 HZ1 LYS 3 HZ1 LYS 3 3.890 -5.302 -8.605 34 HZ2 LYS 3 HZ2 LYS 3 5.369 -6.120 -8.551 35 HZ3 LYS 3 HZ3 LYS 3 5.214 -4.714 -9.479 36 H GLY 4 H GLY 4 2.236 -0.516 -10.237 37 HA2 GLY 4 HA2 GLY 4 0.454 -2.119 -11.755 38 HA3 GLY 4 HA3 GLY 4 -0.321 -0.605 -11.316 39 H THR 5 H THR 5 -0.057 -1.073 -13.926 40 HA THR 5 HA THR 5 2.409 0.010 -14.961 41 HB THR 5 HB THR 5 1.094 -0.030 -17.166 42 HG1 THR 5 HG1 THR 5 -0.984 -0.157 -15.989 43 HG21 THR 5 HG21 THR 5 1.671 -2.249 -17.525 44 HG22 THR 5 HG22 THR 5 1.204 -2.740 -15.896 45 HG23 THR 5 HG23 THR 5 2.687 -1.819 -16.149 46 H VAL 6 H VAL 6 2.525 1.923 -16.291 47 HA VAL 6 HA VAL 6 0.785 4.051 -15.272 48 HB VAL 6 HB VAL 6 3.461 4.027 -15.361 49 HG11 VAL 6 HG11 VAL 6 3.433 3.850 -17.848 50 HG12 VAL 6 HG12 VAL 6 2.708 5.458 -17.904 51 HG13 VAL 6 HG13 VAL 6 4.326 5.241 -17.234 52 HG21 VAL 6 HG21 VAL 6 1.756 5.747 -14.467 53 HG22 VAL 6 HG22 VAL 6 3.385 6.297 -14.861 54 HG23 VAL 6 HG23 VAL 6 2.057 6.599 -15.982 55 H LYS 7 H LYS 7 -0.343 5.429 -16.604 56 HA LYS 7 HA LYS 7 -0.765 4.456 -19.332 57 HB2 LYS 7 HB2 LYS 7 -2.685 4.806 -17.708 58 HB3 LYS 7 HB3 LYS 7 -2.387 6.532 -17.861 59 HG2 LYS 7 HG2 LYS 7 -3.233 6.636 -19.965 60 HG3 LYS 7 HG3 LYS 7 -2.742 4.988 -20.363 61 HD2 LYS 7 HD2 LYS 7 -4.932 4.525 -20.138 62 HD3 LYS 7 HD3 LYS 7 -4.576 4.536 -18.409 63 HE2 LYS 7 HE2 LYS 7 -5.637 6.507 -18.069 64 HE3 LYS 7 HE3 LYS 7 -5.163 7.156 -19.638 65 HZ1 LYS 7 HZ1 LYS 7 -7.315 5.166 -19.156 66 HZ2 LYS 7 HZ2 LYS 7 -6.848 5.751 -20.673 67 HZ3 LYS 7 HZ3 LYS 7 -7.539 6.799 -19.539 68 H TRP 8 H TRP 8 0.419 7.200 -17.552 69 HA TRP 8 HA TRP 8 1.778 8.273 -19.770 70 HB2 TRP 8 HB2 TRP 8 0.525 10.141 -20.393 71 HB3 TRP 8 HB3 TRP 8 -0.704 8.893 -20.208 72 HD1 TRP 8 HD1 TRP 8 0.645 12.037 -18.457 73 HE1 TRP 8 HE1 TRP 8 -1.162 12.905 -16.842 74 HE3 TRP 8 HE3 TRP 8 -2.720 8.210 -18.870 75 HZ2 TRP 8 HZ2 TRP 8 -3.680 12.077 -15.872 76 HZ3 TRP 8 HZ3 TRP 8 -4.802 8.324 -17.564 77 HH2 TRP 8 HH2 TRP 8 -5.270 10.218 -16.096 78 H PHE 9 H PHE 9 3.336 9.677 -19.116 79 HA PHE 9 HA PHE 9 3.116 10.848 -16.435 80 HB2 PHE 9 HB2 PHE 9 4.415 8.841 -16.106 81 HB3 PHE 9 HB3 PHE 9 5.448 9.232 -17.478 82 HD1 PHE 9 HD1 PHE 9 4.614 10.069 -14.006 83 HD2 PHE 9 HD2 PHE 9 7.229 10.817 -17.280 84 HE1 PHE 9 HE1 PHE 9 6.161 11.246 -12.497 85 HE2 PHE 9 HE2 PHE 9 8.780 11.995 -15.777 86 HZ PHE 9 HZ PHE 9 8.247 12.212 -13.383 87 H ASN 10 H ASN 10 2.945 12.934 -17.091 88 HA ASN 10 HA ASN 10 4.333 14.090 -19.248 89 HB2 ASN 10 HB2 ASN 10 2.378 14.908 -17.411 90 HB3 ASN 10 HB3 ASN 10 3.723 16.022 -17.181 91 HD21 ASN 10 HD21 ASN 10 2.884 17.802 -18.107 92 HD22 ASN 10 HD22 ASN 10 2.439 17.917 -19.772 93 H ALA 11 H ALA 11 6.457 14.325 -19.413 94 HA ALA 11 HA ALA 11 8.098 14.577 -17.017 95 HB1 ALA 11 HB1 ALA 11 8.692 14.016 -19.900 96 HB2 ALA 11 HB2 ALA 11 9.974 14.472 -18.777 97 HB3 ALA 11 HB3 ALA 11 9.018 13.020 -18.481 98 H GLU 12 H GLU 12 6.954 16.484 -19.691 99 HA GLU 12 HA GLU 12 8.842 18.575 -19.571 100 HB2 GLU 12 HB2 GLU 12 6.109 18.239 -20.705 101 HB3 GLU 12 HB3 GLU 12 6.719 19.877 -20.515 102 HG2 GLU 12 HG2 GLU 12 8.275 17.744 -21.938 103 HG3 GLU 12 HG3 GLU 12 7.089 18.759 -22.756 104 H LYS 13 H LYS 13 5.763 18.050 -17.921 105 HA LYS 13 HA LYS 13 6.089 20.545 -16.435 106 HB2 LYS 13 HB2 LYS 13 3.830 18.544 -16.567 107 HB3 LYS 13 HB3 LYS 13 3.826 19.948 -15.508 108 HG2 LYS 13 HG2 LYS 13 4.400 21.053 -17.946 109 HG3 LYS 13 HG3 LYS 13 3.283 19.751 -18.364 110 HD2 LYS 13 HD2 LYS 13 1.816 21.472 -17.937 111 HD3 LYS 13 HD3 LYS 13 1.901 20.700 -16.351 112 HE2 LYS 13 HE2 LYS 13 2.156 22.951 -15.848 113 HE3 LYS 13 HE3 LYS 13 3.820 22.369 -15.900 114 HZ1 LYS 13 HZ1 LYS 13 4.283 23.730 -17.573 115 HZ2 LYS 13 HZ2 LYS 13 2.789 24.477 -17.309 116 HZ3 LYS 13 HZ3 LYS 13 2.927 23.246 -18.461 117 H GLY 14 H GLY 14 6.030 17.054 -15.949 118 HA2 GLY 14 HA2 GLY 14 7.365 16.004 -14.277 119 HA3 GLY 14 HA3 GLY 14 7.279 17.479 -13.325 120 H TYR 15 H TYR 15 4.715 15.539 -14.839 121 HA TYR 15 HA TYR 15 3.789 14.569 -12.287 122 HB2 TYR 15 HB2 TYR 15 1.717 15.701 -12.188 123 HB3 TYR 15 HB3 TYR 15 2.907 16.955 -12.519 124 HD1 TYR 15 HD2 TYR 15 2.994 18.042 -14.704 125 HD2 TYR 15 HD1 TYR 15 0.069 15.074 -13.844 126 HE1 TYR 15 HE2 TYR 15 1.709 18.744 -16.681 127 HE2 TYR 15 HE1 TYR 15 -1.224 15.767 -15.819 128 HH TYR 15 HH TYR 15 -0.784 16.914 -17.997 129 H GLY 16 H GLY 16 2.432 12.814 -12.473 130 HA2 GLY 16 HA2 GLY 16 1.294 12.144 -15.068 131 HA3 GLY 16 HA3 GLY 16 2.550 11.065 -14.480 132 H PHE 17 H PHE 17 0.474 9.683 -14.836 133 HA PHE 17 HA PHE 17 -0.698 9.301 -12.183 134 HB2 PHE 17 HB2 PHE 17 -2.164 9.991 -14.660 135 HB3 PHE 17 HB3 PHE 17 -2.850 8.684 -13.701 136 HD1 PHE 17 HD2 PHE 17 -1.498 12.133 -13.286 137 HD2 PHE 17 HD1 PHE 17 -4.326 9.214 -12.021 138 HE1 PHE 17 HE2 PHE 17 -2.527 13.787 -11.782 139 HE2 PHE 17 HE1 PHE 17 -5.360 10.863 -10.516 140 HZ PHE 17 HZ PHE 17 -4.462 13.153 -10.396 141 H ILE 18 H ILE 18 -0.779 7.220 -11.582 142 HA ILE 18 HA ILE 18 -0.079 5.202 -13.604 143 HB ILE 18 HB ILE 18 0.187 5.013 -10.601 144 HG12 ILE 18 HG12 ILE 18 2.494 5.171 -12.508 145 HG13 ILE 18 HG13 ILE 18 1.693 6.651 -11.991 146 HG21 ILE 18 HG21 ILE 18 1.725 3.076 -11.329 147 HG22 ILE 18 HG22 ILE 18 -0.019 2.825 -11.354 148 HG23 ILE 18 HG23 ILE 18 0.845 3.156 -12.855 149 HD11 ILE 18 HD11 ILE 18 3.439 6.439 -10.495 150 HD12 ILE 18 HD12 ILE 18 2.079 5.750 -9.607 151 HD13 ILE 18 HD13 ILE 18 3.260 4.689 -10.376 152 H GLN 19 H GLN 19 -1.175 3.217 -13.668 153 HA GLN 19 HA GLN 19 -3.579 2.929 -12.040 154 HB2 GLN 19 HB2 GLN 19 -4.699 2.224 -14.344 155 HB3 GLN 19 HB3 GLN 19 -4.731 3.885 -13.766 156 HG2 GLN 19 HG2 GLN 19 -2.595 2.866 -15.610 157 HG3 GLN 19 HG3 GLN 19 -4.124 3.521 -16.196 158 HE21 GLN 19 HE21 GLN 19 -4.683 5.702 -15.190 159 HE22 GLN 19 HE22 GLN 19 -3.395 6.851 -15.112 160 H GLN 20 H GLN 20 -3.485 0.962 -11.203 161 HA GLN 20 HA GLN 20 -1.898 -1.109 -12.443 162 HB2 GLN 20 HB2 GLN 20 -2.250 -2.364 -10.443 163 HB3 GLN 20 HB3 GLN 20 -1.960 -0.696 -9.966 164 HG2 GLN 20 HG2 GLN 20 -4.655 -0.701 -10.159 165 HG3 GLN 20 HG3 GLN 20 -4.354 -2.364 -9.659 166 HE21 GLN 20 HE21 GLN 20 -3.952 -2.764 -7.583 167 HE22 GLN 20 HE22 GLN 20 -3.692 -1.563 -6.368 168 H GLU 21 H GLU 21 -3.341 -3.384 -11.661 169 HA GLU 21 HA GLU 21 -4.784 -4.034 -13.884 170 HB2 GLU 21 HB2 GLU 21 -5.389 -5.063 -11.107 171 HB3 GLU 21 HB3 GLU 21 -5.738 -5.874 -12.627 172 HG2 GLU 21 HG2 GLU 21 -3.171 -5.711 -12.995 173 HG3 GLU 21 HG3 GLU 21 -3.124 -5.486 -11.247 174 H GLU 22 H GLU 22 -5.931 -2.387 -11.001 175 HA GLU 22 HA GLU 22 -8.669 -2.357 -11.998 176 HB2 GLU 22 HB2 GLU 22 -7.847 -0.852 -9.559 177 HB3 GLU 22 HB3 GLU 22 -9.332 -1.734 -9.882 178 HG2 GLU 22 HG2 GLU 22 -8.060 -3.851 -9.677 179 HG3 GLU 22 HG3 GLU 22 -6.645 -2.908 -9.213 180 H GLY 23 H GLY 23 -5.907 -0.247 -11.644 181 HA2 GLY 23 HA2 GLY 23 -5.501 1.882 -12.397 182 HA3 GLY 23 HA3 GLY 23 -6.767 1.579 -13.578 183 HA PRO 24 HA PRO 24 -9.035 3.486 -9.767 184 HB2 PRO 24 HB2 PRO 24 -7.490 4.317 -7.694 185 HB3 PRO 24 HB3 PRO 24 -8.155 2.683 -7.802 186 HG2 PRO 24 HG2 PRO 24 -5.408 3.658 -8.481 187 HG3 PRO 24 HG3 PRO 24 -5.891 2.188 -7.615 188 HD2 PRO 24 HD2 PRO 24 -5.180 2.173 -10.228 189 HD3 PRO 24 HD3 PRO 24 -6.386 1.055 -9.561 190 H ASP 25 H ASP 25 -6.205 5.235 -8.751 191 HA ASP 25 HA ASP 25 -5.922 7.189 -10.654 192 HB2 ASP 25 HB2 ASP 25 -7.323 9.038 -9.451 193 HB3 ASP 25 HB3 ASP 25 -8.111 7.958 -10.597 194 H VAL 26 H VAL 26 -3.860 7.385 -9.958 195 HA VAL 26 HA VAL 26 -3.463 8.440 -7.233 196 HB VAL 26 HB VAL 26 -2.422 6.075 -8.233 197 HG11 VAL 26 HG11 VAL 26 -0.894 7.433 -9.646 198 HG12 VAL 26 HG12 VAL 26 -0.207 8.119 -8.172 199 HG13 VAL 26 HG13 VAL 26 -0.056 6.392 -8.495 200 HG21 VAL 26 HG21 VAL 26 -2.733 6.835 -5.866 201 HG22 VAL 26 HG22 VAL 26 -1.227 5.968 -6.170 202 HG23 VAL 26 HG23 VAL 26 -1.218 7.726 -6.018 203 H PHE 27 H PHE 27 -2.121 10.180 -6.978 204 HA PHE 27 HA PHE 27 -1.349 11.558 -9.445 205 HB2 PHE 27 HB2 PHE 27 -2.755 12.539 -7.402 206 HB3 PHE 27 HB3 PHE 27 -1.142 12.889 -6.789 207 HD1 PHE 27 HD1 PHE 27 0.345 13.634 -9.150 208 HD2 PHE 27 HD2 PHE 27 -3.681 14.527 -8.096 209 HE1 PHE 27 HE1 PHE 27 0.434 15.660 -10.542 210 HE2 PHE 27 HE2 PHE 27 -3.599 16.554 -9.488 211 HZ PHE 27 HZ PHE 27 -1.540 17.124 -10.713 212 H VAL 28 H VAL 28 0.685 11.375 -10.087 213 HA VAL 28 HA VAL 28 2.794 11.139 -8.039 214 HB VAL 28 HB VAL 28 3.965 9.587 -9.273 215 HG11 VAL 28 HG11 VAL 28 2.555 7.834 -9.361 216 HG12 VAL 28 HG12 VAL 28 1.380 8.994 -8.737 217 HG13 VAL 28 HG13 VAL 28 1.447 8.647 -10.466 218 HG21 VAL 28 HG21 VAL 28 4.196 10.743 -11.333 219 HG22 VAL 28 HG22 VAL 28 3.507 9.165 -11.715 220 HG23 VAL 28 HG23 VAL 28 2.474 10.595 -11.687 221 H HIS 29 H HIS 29 4.683 12.296 -8.339 222 HA HIS 29 HA HIS 29 4.686 14.213 -10.576 223 HB2 HIS 29 HB2 HIS 29 4.979 14.666 -7.657 224 HB3 HIS 29 HB3 HIS 29 6.036 15.601 -8.712 225 HD1 HIS 29 HD1 HIS 29 5.066 17.829 -9.102 226 HD2 HIS 29 HD2 HIS 29 2.130 14.898 -8.892 227 HE1 HIS 29 HE1 HIS 29 2.890 19.029 -9.486 228 H PHE 30 H PHE 30 6.820 15.039 -11.159 229 HA PHE 30 HA PHE 30 8.679 13.028 -11.615 230 HB2 PHE 30 HB2 PHE 30 10.095 14.695 -12.516 231 HB3 PHE 30 HB3 PHE 30 8.458 15.281 -12.794 232 HD1 PHE 30 HD2 PHE 30 7.509 16.845 -10.910 233 HD2 PHE 30 HD1 PHE 30 11.646 16.124 -11.606 234 HE1 PHE 30 HE2 PHE 30 8.065 18.946 -9.757 235 HE2 PHE 30 HE1 PHE 30 12.209 18.224 -10.453 236 HZ PHE 30 HZ PHE 30 10.418 19.638 -9.528 237 H THR 31 H THR 31 8.202 15.000 -8.833 238 HA THR 31 HA THR 31 10.826 14.327 -7.732 239 HB THR 31 HB THR 31 9.977 16.650 -7.483 240 HG1 THR 31 HG1 THR 31 11.457 15.866 -5.949 241 HG21 THR 31 HG21 THR 31 8.066 15.662 -5.404 242 HG22 THR 31 HG22 THR 31 7.562 15.742 -7.093 243 HG23 THR 31 HG23 THR 31 8.091 17.204 -6.259 244 H ALA 32 H ALA 32 8.575 12.380 -8.146 245 HA ALA 32 HA ALA 32 8.433 11.412 -5.366 246 HB1 ALA 32 HB1 ALA 32 6.219 11.572 -5.480 247 HB2 ALA 32 HB2 ALA 32 6.276 11.983 -7.195 248 HB3 ALA 32 HB3 ALA 32 6.256 10.292 -6.693 249 H ILE 33 H ILE 33 9.665 10.872 -8.369 250 HA ILE 33 HA ILE 33 9.394 7.971 -8.328 251 HB ILE 33 HB ILE 33 10.770 9.808 -10.290 252 HG12 ILE 33 HG12 ILE 33 8.826 8.555 -11.681 253 HG13 ILE 33 HG13 ILE 33 8.078 8.581 -10.088 254 HG21 ILE 33 HG21 ILE 33 11.001 6.951 -9.880 255 HG22 ILE 33 HG22 ILE 33 10.409 7.339 -11.495 256 HG23 ILE 33 HG23 ILE 33 11.934 8.020 -10.928 257 HD11 ILE 33 HD11 ILE 33 8.731 11.098 -10.131 258 HD12 ILE 33 HD12 ILE 33 8.807 10.845 -11.876 259 HD13 ILE 33 HD13 ILE 33 7.306 10.533 -11.004 260 H GLU 34 H GLU 34 10.919 6.599 -7.637 261 HA GLU 34 HA GLU 34 13.519 7.735 -6.842 262 HB2 GLU 34 HB2 GLU 34 12.194 5.286 -5.675 263 HB3 GLU 34 HB3 GLU 34 13.630 6.106 -5.078 264 HG2 GLU 34 HG2 GLU 34 11.494 7.983 -5.201 265 HG3 GLU 34 HG3 GLU 34 10.937 6.537 -4.361 266 H ALA 35 H ALA 35 14.459 7.337 -8.882 267 HA ALA 35 HA ALA 35 15.032 4.490 -9.383 268 HB1 ALA 35 HB1 ALA 35 13.634 6.186 -11.083 269 HB2 ALA 35 HB2 ALA 35 15.259 6.106 -11.767 270 HB3 ALA 35 HB3 ALA 35 14.344 4.624 -11.493 271 H ASP 36 H ASP 36 16.985 4.464 -11.090 272 HA ASP 36 HA ASP 36 19.131 5.951 -9.762 273 HB2 ASP 36 HB2 ASP 36 18.977 3.378 -11.260 274 HB3 ASP 36 HB3 ASP 36 20.499 4.265 -11.302 275 H GLY 37 H GLY 37 18.430 7.918 -10.927 276 HA2 GLY 37 HA2 GLY 37 20.032 8.982 -12.698 277 HA3 GLY 37 HA3 GLY 37 19.121 7.937 -13.778 278 H PHE 38 H PHE 38 17.510 8.899 -14.802 279 HA PHE 38 HA PHE 38 16.540 11.468 -13.884 280 HB2 PHE 38 HB2 PHE 38 16.158 9.834 -16.376 281 HB3 PHE 38 HB3 PHE 38 15.108 11.207 -16.041 282 HD1 PHE 38 HD2 PHE 38 16.471 13.397 -15.304 283 HD2 PHE 38 HD1 PHE 38 17.981 10.220 -17.700 284 HE1 PHE 38 HE2 PHE 38 18.157 14.917 -16.252 285 HE2 PHE 38 HE1 PHE 38 19.670 11.735 -18.652 286 HZ PHE 38 HZ PHE 38 19.758 14.088 -17.929 287 H ARG 39 H ARG 39 14.879 11.669 -12.550 288 HA ARG 39 HA ARG 39 13.228 9.501 -11.787 289 HB2 ARG 39 HB2 ARG 39 13.176 12.457 -11.257 290 HB3 ARG 39 HB3 ARG 39 11.853 11.429 -10.721 291 HG2 ARG 39 HG2 ARG 39 13.251 11.571 -8.869 292 HG3 ARG 39 HG3 ARG 39 13.660 10.013 -9.591 293 HD2 ARG 39 HD2 ARG 39 15.701 10.752 -10.359 294 HD3 ARG 39 HD3 ARG 39 15.190 12.439 -10.405 295 HE ARG 39 HE ARG 39 16.401 11.074 -8.212 296 HH11 ARG 39 HH11 ARG 39 14.171 13.612 -9.053 297 HH12 ARG 39 HH12 ARG 39 14.420 14.495 -7.584 298 HH21 ARG 39 HH21 ARG 39 16.737 12.228 -6.274 299 HH22 ARG 39 HH22 ARG 39 15.880 13.708 -6.004 300 H THR 40 H THR 40 11.912 8.604 -13.260 301 HA THR 40 HA THR 40 9.549 9.878 -14.065 302 HB THR 40 HB THR 40 10.784 11.164 -15.641 303 HG1 THR 40 HG1 THR 40 9.908 10.348 -17.606 304 HG21 THR 40 HG21 THR 40 12.380 8.734 -15.867 305 HG22 THR 40 HG22 THR 40 12.822 10.410 -16.192 306 HG23 THR 40 HG23 THR 40 12.004 9.457 -17.430 307 H LEU 41 H LEU 41 8.207 8.518 -15.456 308 HA LEU 41 HA LEU 41 9.011 5.694 -15.268 309 HB2 LEU 41 HB2 LEU 41 6.208 6.742 -15.557 310 HB3 LEU 41 HB3 LEU 41 6.714 5.117 -15.103 311 HG LEU 41 HG LEU 41 7.026 7.601 -13.418 312 HD11 LEU 41 HD11 LEU 41 4.828 7.196 -13.103 313 HD12 LEU 41 HD12 LEU 41 5.446 5.968 -11.998 314 HD13 LEU 41 HD13 LEU 41 4.947 5.517 -13.628 315 HD21 LEU 41 HD21 LEU 41 8.547 6.463 -12.274 316 HD22 LEU 41 HD22 LEU 41 8.350 5.064 -13.330 317 HD23 LEU 41 HD23 LEU 41 7.322 5.247 -11.908 318 H ASN 42 H ASN 42 7.418 4.414 -16.933 319 HA ASN 42 HA ASN 42 7.784 5.691 -19.562 320 HB2 ASN 42 HB2 ASN 42 8.433 2.866 -18.725 321 HB3 ASN 42 HB3 ASN 42 8.229 3.325 -20.413 322 HD21 ASN 42 HD21 ASN 42 10.345 3.163 -17.796 323 HD22 ASN 42 HD22 ASN 42 11.670 4.025 -18.493 324 H GLU 43 H GLU 43 6.017 5.757 -20.791 325 HA GLU 43 HA GLU 43 3.505 4.956 -19.883 326 HB2 GLU 43 HB2 GLU 43 3.724 6.696 -21.541 327 HB3 GLU 43 HB3 GLU 43 4.457 5.576 -22.682 328 HG2 GLU 43 HG2 GLU 43 2.320 4.295 -22.685 329 HG3 GLU 43 HG3 GLU 43 1.614 5.578 -21.705 330 H GLY 44 H GLY 44 2.565 3.032 -19.766 331 HA2 GLY 44 HA2 GLY 44 1.846 0.943 -20.531 332 HA3 GLY 44 HA3 GLY 44 3.020 1.041 -21.835 333 H GLU 45 H GLU 45 4.457 1.812 -18.907 334 HA GLU 45 HA GLU 45 5.587 -0.897 -18.720 335 HB2 GLU 45 HB2 GLU 45 7.167 0.949 -19.236 336 HB3 GLU 45 HB3 GLU 45 6.743 1.706 -17.707 337 HG2 GLU 45 HG2 GLU 45 7.912 0.199 -16.470 338 HG3 GLU 45 HG3 GLU 45 7.690 -1.102 -17.639 339 H HIS 46 H HIS 46 6.177 -1.666 -16.557 340 HA HIS 46 HA HIS 46 4.036 -1.098 -14.673 341 HB2 HIS 46 HB2 HIS 46 6.227 -3.132 -14.300 342 HB3 HIS 46 HB3 HIS 46 4.611 -3.126 -13.601 343 HD1 HIS 46 HD1 HIS 46 2.797 -4.298 -14.887 344 HD2 HIS 46 HD2 HIS 46 6.281 -3.825 -17.100 345 HE1 HIS 46 HE1 HIS 46 2.452 -5.647 -16.981 346 H VAL 47 H VAL 47 4.296 -0.274 -12.637 347 HA VAL 47 HA VAL 47 6.909 0.218 -11.527 348 HB VAL 47 HB VAL 47 6.410 2.715 -11.277 349 HG11 VAL 47 HG11 VAL 47 7.856 3.133 -12.968 350 HG12 VAL 47 HG12 VAL 47 7.975 1.373 -12.989 351 HG13 VAL 47 HG13 VAL 47 6.927 2.201 -14.141 352 HG21 VAL 47 HG21 VAL 47 4.801 3.738 -12.508 353 HG22 VAL 47 HG22 VAL 47 4.914 2.574 -13.828 354 HG23 VAL 47 HG23 VAL 47 4.030 2.159 -12.360 355 H GLU 48 H GLU 48 6.852 0.506 -9.339 356 HA GLU 48 HA GLU 48 4.230 0.208 -8.084 357 HB2 GLU 48 HB2 GLU 48 5.732 -1.427 -7.304 358 HB3 GLU 48 HB3 GLU 48 7.048 -0.271 -7.154 359 HG2 GLU 48 HG2 GLU 48 6.097 0.702 -5.220 360 HG3 GLU 48 HG3 GLU 48 4.575 -0.154 -5.456 361 H PHE 49 H PHE 49 3.258 1.804 -7.019 362 HA PHE 49 HA PHE 49 4.855 4.174 -6.301 363 HB2 PHE 49 HB2 PHE 49 2.709 5.467 -6.625 364 HB3 PHE 49 HB3 PHE 49 3.416 4.808 -8.097 365 HD1 PHE 49 HD1 PHE 49 2.425 2.773 -9.128 366 HD2 PHE 49 HD2 PHE 49 0.558 4.830 -5.903 367 HE1 PHE 49 HE1 PHE 49 0.297 1.653 -9.650 368 HE2 PHE 49 HE2 PHE 49 -1.573 3.713 -6.420 369 HZ PHE 49 HZ PHE 49 -1.705 2.122 -8.295 370 H GLU 50 H GLU 50 4.462 5.161 -4.334 371 HA GLU 50 HA GLU 50 2.879 3.558 -2.444 372 HB2 GLU 50 HB2 GLU 50 5.512 4.508 -2.307 373 HB3 GLU 50 HB3 GLU 50 4.599 5.524 -1.200 374 HG2 GLU 50 HG2 GLU 50 4.354 2.543 -1.116 375 HG3 GLU 50 HG3 GLU 50 5.675 3.377 -0.301 376 H VAL 51 H VAL 51 0.867 4.446 -2.576 377 HA VAL 51 HA VAL 51 0.271 7.170 -2.857 378 HB VAL 51 HB VAL 51 -1.988 6.620 -2.156 379 HG11 VAL 51 HG11 VAL 51 -2.343 5.679 -4.137 380 HG12 VAL 51 HG12 VAL 51 -0.601 5.435 -4.277 381 HG13 VAL 51 HG13 VAL 51 -1.620 4.162 -3.603 382 HG21 VAL 51 HG21 VAL 51 -2.465 4.235 -1.458 383 HG22 VAL 51 HG22 VAL 51 -0.732 4.067 -1.177 384 HG23 VAL 51 HG23 VAL 51 -1.664 5.248 -0.257 385 H GLU 52 H GLU 52 0.310 8.825 -1.482 386 HA GLU 52 HA GLU 52 0.488 8.238 1.401 387 HB2 GLU 52 HB2 GLU 52 2.273 9.734 -0.312 388 HB3 GLU 52 HB3 GLU 52 1.644 10.757 0.971 389 HG2 GLU 52 HG2 GLU 52 2.313 8.455 2.304 390 HG3 GLU 52 HG3 GLU 52 3.578 8.589 1.085 391 HA PRO 53 HA PRO 53 -2.912 10.915 2.116 392 HB2 PRO 53 HB2 PRO 53 -2.213 12.117 4.448 393 HB3 PRO 53 HB3 PRO 53 -2.701 10.421 4.350 394 HG2 PRO 53 HG2 PRO 53 0.049 11.596 4.484 395 HG3 PRO 53 HG3 PRO 53 -0.607 10.184 5.333 396 HD2 PRO 53 HD2 PRO 53 0.945 9.964 3.125 397 HD3 PRO 53 HD3 PRO 53 -0.345 8.805 3.505 398 H GLY 54 H GLY 54 -0.691 13.045 3.754 399 HA2 GLY 54 HA2 GLY 54 -1.536 15.265 2.132 400 HA3 GLY 54 HA3 GLY 54 -0.405 15.324 3.476 401 H ARG 55 H ARG 55 -0.483 13.779 0.259 402 HA ARG 55 HA ARG 55 2.110 15.048 -0.303 403 HB2 ARG 55 HB2 ARG 55 1.378 12.172 -0.381 404 HB3 ARG 55 HB3 ARG 55 2.385 12.769 -1.693 405 HG2 ARG 55 HG2 ARG 55 3.035 13.102 1.226 406 HG3 ARG 55 HG3 ARG 55 3.656 11.805 0.203 407 HD2 ARG 55 HD2 ARG 55 4.040 14.386 -1.031 408 HD3 ARG 55 HD3 ARG 55 4.762 14.337 0.577 409 HE ARG 55 HE ARG 55 5.437 12.025 -0.932 410 HH11 ARG 55 HH11 ARG 55 6.187 15.402 -0.540 411 HH12 ARG 55 HH12 ARG 55 7.810 15.244 -1.125 412 HH21 ARG 55 HH21 ARG 55 7.571 11.804 -1.705 413 HH22 ARG 55 HH22 ARG 55 8.596 13.197 -1.789 414 H GLY 56 H GLY 56 -0.784 13.494 -1.629 415 HA2 GLY 56 HA2 GLY 56 -0.258 14.763 -4.225 416 HA3 GLY 56 HA3 GLY 56 -1.416 13.476 -3.927 417 H GLY 57 H GLY 57 -1.521 16.319 -5.096 418 HA2 GLY 57 HA2 GLY 57 -2.961 18.073 -3.554 419 HA3 GLY 57 HA3 GLY 57 -3.198 17.883 -5.285 420 H LYS 58 H LYS 58 -4.193 15.236 -5.269 421 HA LYS 58 HA LYS 58 -6.910 15.784 -4.412 422 HB2 LYS 58 HB2 LYS 58 -5.626 13.653 -6.099 423 HB3 LYS 58 HB3 LYS 58 -7.282 13.481 -5.533 424 HG2 LYS 58 HG2 LYS 58 -6.251 15.782 -7.179 425 HG3 LYS 58 HG3 LYS 58 -7.137 14.392 -7.811 426 HD2 LYS 58 HD2 LYS 58 -8.157 16.397 -5.797 427 HD3 LYS 58 HD3 LYS 58 -8.629 16.290 -7.495 428 HE2 LYS 58 HE2 LYS 58 -9.461 13.985 -7.046 429 HE3 LYS 58 HE3 LYS 58 -9.119 14.242 -5.336 430 HZ1 LYS 58 HZ1 LYS 58 -11.480 14.702 -6.307 431 HZ2 LYS 58 HZ2 LYS 58 -10.802 16.189 -6.743 432 HZ3 LYS 58 HZ3 LYS 58 -10.831 15.716 -5.119 433 H GLY 59 H GLY 59 -4.192 13.893 -3.404 434 HA2 GLY 59 HA2 GLY 59 -4.724 13.394 -0.870 435 HA3 GLY 59 HA3 GLY 59 -5.832 12.255 -1.620 436 HA PRO 60 HA PRO 60 -2.598 9.286 -1.642 437 HB2 PRO 60 HB2 PRO 60 -3.466 7.677 -3.648 438 HB3 PRO 60 HB3 PRO 60 -4.229 7.722 -2.055 439 HG2 PRO 60 HG2 PRO 60 -5.065 9.070 -4.593 440 HG3 PRO 60 HG3 PRO 60 -6.062 8.224 -3.396 441 HD2 PRO 60 HD2 PRO 60 -5.871 10.924 -3.487 442 HD3 PRO 60 HD3 PRO 60 -6.106 10.034 -1.969 443 H GLN 61 H GLN 61 -0.642 9.921 -2.332 444 HA GLN 61 HA GLN 61 -0.261 10.328 -5.226 445 HB2 GLN 61 HB2 GLN 61 0.270 12.412 -4.438 446 HB3 GLN 61 HB3 GLN 61 0.775 11.809 -2.865 447 HG2 GLN 61 HG2 GLN 61 2.868 11.062 -3.755 448 HG3 GLN 61 HG3 GLN 61 2.358 11.453 -5.397 449 HE21 GLN 61 HE21 GLN 61 4.347 12.437 -3.105 450 HE22 GLN 61 HE22 GLN 61 4.339 14.145 -3.364 451 H ALA 62 H ALA 62 1.839 9.715 -6.079 452 HA ALA 62 HA ALA 62 2.682 7.170 -5.045 453 HB1 ALA 62 HB1 ALA 62 2.596 7.299 -7.388 454 HB2 ALA 62 HB2 ALA 62 3.502 8.812 -7.422 455 HB3 ALA 62 HB3 ALA 62 4.315 7.308 -6.992 456 H LYS 63 H LYS 63 3.244 8.647 -2.992 457 HA LYS 63 HA LYS 63 5.415 10.213 -2.691 458 HB2 LYS 63 HB2 LYS 63 4.140 9.624 -0.766 459 HB3 LYS 63 HB3 LYS 63 4.516 7.916 -0.955 460 HG2 LYS 63 HG2 LYS 63 6.820 9.722 -0.594 461 HG3 LYS 63 HG3 LYS 63 5.751 9.521 0.796 462 HD2 LYS 63 HD2 LYS 63 6.943 7.225 -0.752 463 HD3 LYS 63 HD3 LYS 63 7.668 7.910 0.704 464 HE2 LYS 63 HE2 LYS 63 4.810 7.082 0.792 465 HE3 LYS 63 HE3 LYS 63 6.048 5.826 0.810 466 HZ1 LYS 63 HZ1 LYS 63 5.675 8.027 2.759 467 HZ2 LYS 63 HZ2 LYS 63 7.073 7.076 2.705 468 HZ3 LYS 63 HZ3 LYS 63 5.577 6.363 3.045 469 H LYS 64 H LYS 64 5.496 6.686 -3.028 470 HA LYS 64 HA LYS 64 8.367 6.901 -3.648 471 HB2 LYS 64 HB2 LYS 64 7.111 5.409 -1.552 472 HB3 LYS 64 HB3 LYS 64 7.820 4.283 -2.702 473 HG2 LYS 64 HG2 LYS 64 9.955 4.954 -2.260 474 HG3 LYS 64 HG3 LYS 64 9.464 6.583 -1.791 475 HD2 LYS 64 HD2 LYS 64 8.860 5.924 0.347 476 HD3 LYS 64 HD3 LYS 64 8.653 4.235 -0.123 477 HE2 LYS 64 HE2 LYS 64 10.930 3.813 -0.084 478 HE3 LYS 64 HE3 LYS 64 11.352 5.514 -0.275 479 HZ1 LYS 64 HZ1 LYS 64 11.793 5.229 1.924 480 HZ2 LYS 64 HZ2 LYS 64 10.608 4.043 2.143 481 HZ3 LYS 64 HZ3 LYS 64 10.165 5.672 2.044 482 H VAL 65 H VAL 65 8.514 6.601 -5.778 483 HA VAL 65 HA VAL 65 6.854 4.515 -7.027 484 HB VAL 65 HB VAL 65 7.613 7.174 -7.869 485 HG11 VAL 65 HG11 VAL 65 8.096 6.603 -10.232 486 HG12 VAL 65 HG12 VAL 65 9.376 6.109 -9.121 487 HG13 VAL 65 HG13 VAL 65 8.249 4.911 -9.758 488 HG21 VAL 65 HG21 VAL 65 5.354 5.851 -7.826 489 HG22 VAL 65 HG22 VAL 65 5.659 7.055 -9.078 490 HG23 VAL 65 HG23 VAL 65 5.859 5.340 -9.437 491 H ARG 66 H ARG 66 7.773 2.897 -8.225 492 HA ARG 66 HA ARG 66 10.708 2.846 -8.405 493 HB2 ARG 66 HB2 ARG 66 8.924 0.574 -7.512 494 HB3 ARG 66 HB3 ARG 66 10.640 0.420 -7.862 495 HG2 ARG 66 HG2 ARG 66 10.733 2.415 -6.077 496 HG3 ARG 66 HG3 ARG 66 9.277 1.585 -5.523 497 HD2 ARG 66 HD2 ARG 66 11.689 -0.042 -6.142 498 HD3 ARG 66 HD3 ARG 66 11.678 0.904 -4.655 499 HE ARG 66 HE ARG 66 9.299 -0.638 -4.960 500 HH11 ARG 66 HH11 ARG 66 12.642 -0.801 -4.001 501 HH12 ARG 66 HH12 ARG 66 12.408 -2.154 -2.945 502 HH21 ARG 66 HH21 ARG 66 8.979 -2.420 -3.573 503 HH22 ARG 66 HH22 ARG 66 10.325 -3.075 -2.703 504 H ARG 67 H ARG 67 11.558 1.913 -10.231 505 HA ARG 67 HA ARG 67 9.775 1.675 -12.477 506 HB2 ARG 67 HB2 ARG 67 11.911 2.757 -12.805 507 HB3 ARG 67 HB3 ARG 67 12.766 1.334 -12.226 508 HG2 ARG 67 HG2 ARG 67 12.102 0.075 -14.155 509 HG3 ARG 67 HG3 ARG 67 11.058 1.389 -14.702 510 HD2 ARG 67 HD2 ARG 67 12.848 2.726 -15.318 511 HD3 ARG 67 HD3 ARG 67 13.975 1.874 -14.264 512 HE ARG 67 HE ARG 67 13.277 1.193 -16.964 513 HH11 ARG 67 HH11 ARG 67 14.455 -0.028 -13.925 514 HH12 ARG 67 HH12 ARG 67 15.270 -1.382 -14.636 515 HH21 ARG 67 HH21 ARG 67 14.346 -0.585 -17.912 516 HH22 ARG 67 HH22 ARG 67 15.208 -1.697 -16.904 517 H ILE 68 H ILE 68 9.093 -0.133 -13.482 518 HA ILE 68 HA ILE 68 10.270 -2.710 -12.739 519 HB ILE 68 HB ILE 68 7.282 -2.356 -12.804 520 HG12 ILE 68 HG12 ILE 68 8.385 -0.989 -10.978 521 HG13 ILE 68 HG13 ILE 68 7.233 -2.199 -10.425 522 HG21 ILE 68 HG21 ILE 68 7.458 -4.497 -11.440 523 HG22 ILE 68 HG22 ILE 68 7.869 -4.603 -13.151 524 HG23 ILE 68 HG23 ILE 68 9.148 -4.544 -11.939 525 HD11 ILE 68 HD11 ILE 68 9.688 -1.851 -9.382 526 HD12 ILE 68 HD12 ILE 68 8.801 -3.375 -9.337 527 HD13 ILE 68 HD13 ILE 68 10.022 -3.102 -10.580 Start of MODEL 12 1 H1 MET 1 H MET 1 0.926 1.529 -0.322 2 HA MET 1 HA MET 1 3.258 0.216 -1.543 3 HB2 MET 1 HB2 MET 1 1.167 -1.082 0.203 4 HB3 MET 1 HB3 MET 1 2.726 -1.742 -0.275 5 HG2 MET 1 HG2 MET 1 3.843 0.019 1.030 6 HG3 MET 1 HG3 MET 1 2.264 0.603 1.552 7 HE1 MET 1 HE1 MET 1 0.774 -1.920 3.694 8 HE2 MET 1 HE2 MET 1 0.529 -1.219 2.095 9 HE3 MET 1 HE3 MET 1 0.998 -2.912 2.253 10 H LYS 2 H LYS 2 1.964 1.070 -3.536 11 HA LYS 2 HA LYS 2 0.180 -1.105 -4.415 12 HB2 LYS 2 HB2 LYS 2 0.032 1.820 -5.171 13 HB3 LYS 2 HB3 LYS 2 -0.975 0.547 -5.849 14 HG2 LYS 2 HG2 LYS 2 -0.924 1.433 -2.971 15 HG3 LYS 2 HG3 LYS 2 -2.183 1.785 -4.157 16 HD2 LYS 2 HD2 LYS 2 -2.326 -0.796 -4.392 17 HD3 LYS 2 HD3 LYS 2 -1.497 -0.813 -2.834 18 HE2 LYS 2 HE2 LYS 2 -3.628 -0.773 -2.062 19 HE3 LYS 2 HE3 LYS 2 -3.408 0.964 -2.271 20 HZ1 LYS 2 HZ1 LYS 2 -5.225 0.850 -3.530 21 HZ2 LYS 2 HZ2 LYS 2 -5.157 -0.834 -3.661 22 HZ3 LYS 2 HZ3 LYS 2 -4.251 0.132 -4.713 23 H LYS 3 H LYS 3 0.360 -1.778 -6.575 24 HA LYS 3 HA LYS 3 2.665 -0.736 -8.070 25 HB2 LYS 3 HB2 LYS 3 2.046 -3.681 -7.883 26 HB3 LYS 3 HB3 LYS 3 3.478 -2.919 -8.563 27 HG2 LYS 3 HG2 LYS 3 4.058 -2.116 -6.283 28 HG3 LYS 3 HG3 LYS 3 2.700 -3.056 -5.659 29 HD2 LYS 3 HD2 LYS 3 4.624 -4.405 -5.375 30 HD3 LYS 3 HD3 LYS 3 3.757 -5.073 -6.760 31 HE2 LYS 3 HE2 LYS 3 5.349 -3.359 -8.047 32 HE3 LYS 3 HE3 LYS 3 6.362 -3.664 -6.637 33 HZ1 LYS 3 HZ1 LYS 3 5.996 -6.097 -7.129 34 HZ2 LYS 3 HZ2 LYS 3 6.976 -5.257 -8.222 35 HZ3 LYS 3 HZ3 LYS 3 5.374 -5.618 -8.628 36 H GLY 4 H GLY 4 2.320 -0.454 -10.201 37 HA2 GLY 4 HA2 GLY 4 0.488 -1.980 -11.741 38 HA3 GLY 4 HA3 GLY 4 -0.238 -0.446 -11.283 39 H THR 5 H THR 5 0.012 -0.888 -13.898 40 HA THR 5 HA THR 5 2.515 0.191 -14.884 41 HB THR 5 HB THR 5 1.459 -0.013 -17.125 42 HG1 THR 5 HG1 THR 5 -0.739 0.268 -16.322 43 HG21 THR 5 HG21 THR 5 2.388 -2.037 -17.031 44 HG22 THR 5 HG22 THR 5 0.856 -2.666 -16.424 45 HG23 THR 5 HG23 THR 5 2.101 -2.133 -15.294 46 H VAL 6 H VAL 6 2.825 2.192 -15.790 47 HA VAL 6 HA VAL 6 1.048 4.278 -14.927 48 HB VAL 6 HB VAL 6 3.694 4.256 -15.251 49 HG11 VAL 6 HG11 VAL 6 3.503 3.969 -17.704 50 HG12 VAL 6 HG12 VAL 6 2.713 5.545 -17.796 51 HG13 VAL 6 HG13 VAL 6 4.384 5.425 -17.242 52 HG21 VAL 6 HG21 VAL 6 2.419 6.854 -15.910 53 HG22 VAL 6 HG22 VAL 6 1.930 6.057 -14.415 54 HG23 VAL 6 HG23 VAL 6 3.625 6.463 -14.684 55 H LYS 7 H LYS 7 -0.176 5.659 -16.181 56 HA LYS 7 HA LYS 7 -0.870 4.630 -18.834 57 HB2 LYS 7 HB2 LYS 7 -2.610 5.035 -17.004 58 HB3 LYS 7 HB3 LYS 7 -2.354 6.751 -17.292 59 HG2 LYS 7 HG2 LYS 7 -4.155 6.356 -18.639 60 HG3 LYS 7 HG3 LYS 7 -2.834 6.094 -19.781 61 HD2 LYS 7 HD2 LYS 7 -3.797 3.764 -18.206 62 HD3 LYS 7 HD3 LYS 7 -4.825 4.361 -19.511 63 HE2 LYS 7 HE2 LYS 7 -2.582 4.302 -20.873 64 HE3 LYS 7 HE3 LYS 7 -2.104 3.144 -19.633 65 HZ1 LYS 7 HZ1 LYS 7 -3.037 1.907 -21.388 66 HZ2 LYS 7 HZ2 LYS 7 -4.372 2.937 -21.528 67 HZ3 LYS 7 HZ3 LYS 7 -4.217 1.932 -20.176 68 H TRP 8 H TRP 8 0.417 7.436 -17.208 69 HA TRP 8 HA TRP 8 1.629 8.460 -19.523 70 HB2 TRP 8 HB2 TRP 8 0.306 10.309 -20.126 71 HB3 TRP 8 HB3 TRP 8 -0.852 8.996 -19.934 72 HD1 TRP 8 HD1 TRP 8 0.387 12.155 -18.102 73 HE1 TRP 8 HE1 TRP 8 -1.476 12.944 -16.511 74 HE3 TRP 8 HE3 TRP 8 -2.893 8.280 -18.706 75 HZ2 TRP 8 HZ2 TRP 8 -4.001 12.044 -15.628 76 HZ3 TRP 8 HZ3 TRP 8 -5.010 8.320 -17.452 77 HH2 TRP 8 HH2 TRP 8 -5.550 10.163 -15.945 78 H PHE 9 H PHE 9 3.186 9.905 -18.987 79 HA PHE 9 HA PHE 9 3.042 11.189 -16.351 80 HB2 PHE 9 HB2 PHE 9 4.423 9.285 -15.946 81 HB3 PHE 9 HB3 PHE 9 5.327 9.543 -17.435 82 HD1 PHE 9 HD1 PHE 9 4.500 11.361 -14.282 83 HD2 PHE 9 HD2 PHE 9 7.409 10.482 -17.263 84 HE1 PHE 9 HE1 PHE 9 6.166 12.674 -13.038 85 HE2 PHE 9 HE2 PHE 9 9.081 11.794 -16.022 86 HZ PHE 9 HZ PHE 9 8.460 12.893 -13.907 87 H ASN 10 H ASN 10 2.775 13.242 -17.078 88 HA ASN 10 HA ASN 10 4.147 14.320 -19.322 89 HB2 ASN 10 HB2 ASN 10 1.931 15.088 -18.136 90 HB3 ASN 10 HB3 ASN 10 3.026 16.058 -17.155 91 HD21 ASN 10 HD21 ASN 10 1.011 16.362 -19.565 92 HD22 ASN 10 HD22 ASN 10 1.812 17.536 -20.547 93 H ALA 11 H ALA 11 6.350 14.076 -19.079 94 HA ALA 11 HA ALA 11 7.780 14.793 -16.736 95 HB1 ALA 11 HB1 ALA 11 9.506 13.857 -17.788 96 HB2 ALA 11 HB2 ALA 11 8.373 13.465 -19.082 97 HB3 ALA 11 HB3 ALA 11 9.346 14.933 -19.176 98 H GLU 12 H GLU 12 6.777 16.545 -19.592 99 HA GLU 12 HA GLU 12 8.491 18.772 -19.312 100 HB2 GLU 12 HB2 GLU 12 7.382 18.422 -21.404 101 HB3 GLU 12 HB3 GLU 12 5.800 18.452 -20.639 102 HG2 GLU 12 HG2 GLU 12 6.512 20.515 -21.934 103 HG3 GLU 12 HG3 GLU 12 5.868 20.761 -20.312 104 H LYS 13 H LYS 13 5.253 18.076 -18.075 105 HA LYS 13 HA LYS 13 5.054 20.650 -16.771 106 HB2 LYS 13 HB2 LYS 13 3.273 18.209 -16.667 107 HB3 LYS 13 HB3 LYS 13 2.908 19.744 -15.890 108 HG2 LYS 13 HG2 LYS 13 3.523 19.885 -18.765 109 HG3 LYS 13 HG3 LYS 13 2.031 19.047 -18.333 110 HD2 LYS 13 HD2 LYS 13 1.055 20.937 -17.484 111 HD3 LYS 13 HD3 LYS 13 2.600 21.665 -17.039 112 HE2 LYS 13 HE2 LYS 13 1.943 21.259 -19.922 113 HE3 LYS 13 HE3 LYS 13 1.209 22.605 -19.051 114 HZ1 LYS 13 HZ1 LYS 13 3.210 23.359 -20.073 115 HZ2 LYS 13 HZ2 LYS 13 4.108 22.086 -19.415 116 HZ3 LYS 13 HZ3 LYS 13 3.484 23.290 -18.405 117 H GLY 14 H GLY 14 5.668 17.295 -15.866 118 HA2 GLY 14 HA2 GLY 14 7.124 16.766 -14.041 119 HA3 GLY 14 HA3 GLY 14 6.640 18.267 -13.266 120 H TYR 15 H TYR 15 4.270 16.174 -14.713 121 HA TYR 15 HA TYR 15 3.567 15.048 -12.105 122 HB2 TYR 15 HB2 TYR 15 1.326 15.789 -12.159 123 HB3 TYR 15 HB3 TYR 15 2.282 17.210 -12.565 124 HD1 TYR 15 HD1 TYR 15 0.008 14.639 -13.889 125 HD2 TYR 15 HD2 TYR 15 2.144 18.219 -14.742 126 HE1 TYR 15 HE1 TYR 15 -1.303 14.923 -15.951 127 HE2 TYR 15 HE2 TYR 15 0.839 18.513 -16.806 128 HH TYR 15 HH TYR 15 -1.956 17.088 -17.433 129 H GLY 16 H GLY 16 1.742 13.411 -12.356 130 HA2 GLY 16 HA2 GLY 16 1.234 12.254 -14.901 131 HA3 GLY 16 HA3 GLY 16 2.512 11.376 -14.075 132 H PHE 17 H PHE 17 0.379 9.931 -14.648 133 HA PHE 17 HA PHE 17 -0.837 9.488 -12.026 134 HB2 PHE 17 HB2 PHE 17 -2.352 9.861 -14.608 135 HB3 PHE 17 HB3 PHE 17 -3.044 9.024 -13.222 136 HD1 PHE 17 HD2 PHE 17 -1.677 12.258 -14.372 137 HD2 PHE 17 HD1 PHE 17 -3.947 10.214 -11.409 138 HE1 PHE 17 HE2 PHE 17 -2.382 14.418 -13.428 139 HE2 PHE 17 HE1 PHE 17 -4.658 12.370 -10.460 140 HZ PHE 17 HZ PHE 17 -3.874 14.476 -11.469 141 H ILE 18 H ILE 18 -0.796 7.408 -11.465 142 HA ILE 18 HA ILE 18 -0.005 5.447 -13.487 143 HB ILE 18 HB ILE 18 -0.063 5.192 -10.478 144 HG12 ILE 18 HG12 ILE 18 2.419 5.279 -12.158 145 HG13 ILE 18 HG13 ILE 18 1.628 6.781 -11.694 146 HG21 ILE 18 HG21 ILE 18 -0.250 3.012 -11.212 147 HG22 ILE 18 HG22 ILE 18 0.686 3.315 -12.676 148 HG23 ILE 18 HG23 ILE 18 1.499 3.212 -11.114 149 HD11 ILE 18 HD11 ILE 18 3.195 6.507 -10.034 150 HD12 ILE 18 HD12 ILE 18 1.754 5.804 -9.298 151 HD13 ILE 18 HD13 ILE 18 2.994 4.756 -9.986 152 H GLN 19 H GLN 19 -1.115 3.524 -13.827 153 HA GLN 19 HA GLN 19 -3.830 3.411 -12.688 154 HB2 GLN 19 HB2 GLN 19 -2.876 3.134 -15.493 155 HB3 GLN 19 HB3 GLN 19 -4.211 2.110 -14.983 156 HG2 GLN 19 HG2 GLN 19 -4.506 4.577 -16.008 157 HG3 GLN 19 HG3 GLN 19 -5.666 3.810 -14.926 158 HE21 GLN 19 HE21 GLN 19 -3.159 6.194 -15.223 159 HE22 GLN 19 HE22 GLN 19 -3.472 7.006 -13.731 160 H GLN 20 H GLN 20 -4.236 1.646 -11.543 161 HA GLN 20 HA GLN 20 -2.387 -0.597 -11.670 162 HB2 GLN 20 HB2 GLN 20 -4.738 -0.215 -9.814 163 HB3 GLN 20 HB3 GLN 20 -3.410 -1.352 -9.625 164 HG2 GLN 20 HG2 GLN 20 -2.244 1.191 -9.837 165 HG3 GLN 20 HG3 GLN 20 -3.616 1.359 -8.744 166 HE21 GLN 20 HE21 GLN 20 -3.761 -0.526 -7.127 167 HE22 GLN 20 HE22 GLN 20 -2.280 -0.945 -6.342 168 H GLU 21 H GLU 21 -3.986 -2.694 -10.886 169 HA GLU 21 HA GLU 21 -4.860 -3.799 -13.236 170 HB2 GLU 21 HB2 GLU 21 -5.987 -4.356 -10.486 171 HB3 GLU 21 HB3 GLU 21 -6.109 -5.417 -11.882 172 HG2 GLU 21 HG2 GLU 21 -3.458 -5.152 -11.795 173 HG3 GLU 21 HG3 GLU 21 -3.822 -4.891 -10.090 174 H GLU 22 H GLU 22 -6.620 -1.703 -11.048 175 HA GLU 22 HA GLU 22 -8.991 -1.895 -12.776 176 HB2 GLU 22 HB2 GLU 22 -8.825 -0.636 -10.037 177 HB3 GLU 22 HB3 GLU 22 -10.279 -1.021 -10.948 178 HG2 GLU 22 HG2 GLU 22 -9.421 -3.457 -10.820 179 HG3 GLU 22 HG3 GLU 22 -8.415 -2.854 -9.505 180 H GLY 23 H GLY 23 -6.442 0.186 -11.755 181 HA2 GLY 23 HA2 GLY 23 -5.816 2.271 -12.496 182 HA3 GLY 23 HA3 GLY 23 -7.054 2.127 -13.735 183 HA PRO 24 HA PRO 24 -9.268 4.002 -9.864 184 HB2 PRO 24 HB2 PRO 24 -7.679 4.726 -7.785 185 HB3 PRO 24 HB3 PRO 24 -8.412 3.123 -7.922 186 HG2 PRO 24 HG2 PRO 24 -5.630 3.997 -8.597 187 HG3 PRO 24 HG3 PRO 24 -6.169 2.531 -7.759 188 HD2 PRO 24 HD2 PRO 24 -5.473 2.541 -10.376 189 HD3 PRO 24 HD3 PRO 24 -6.721 1.460 -9.724 190 H ASP 25 H ASP 25 -6.383 5.621 -8.806 191 HA ASP 25 HA ASP 25 -5.998 7.594 -10.667 192 HB2 ASP 25 HB2 ASP 25 -7.357 9.474 -9.462 193 HB3 ASP 25 HB3 ASP 25 -8.158 8.442 -10.644 194 H VAL 26 H VAL 26 -3.935 7.542 -9.867 195 HA VAL 26 HA VAL 26 -3.555 8.539 -7.119 196 HB VAL 26 HB VAL 26 -2.659 6.211 -7.788 197 HG11 VAL 26 HG11 VAL 26 -1.668 6.893 -9.918 198 HG12 VAL 26 HG12 VAL 26 -0.552 7.957 -9.059 199 HG13 VAL 26 HG13 VAL 26 -0.456 6.209 -8.835 200 HG21 VAL 26 HG21 VAL 26 -1.972 6.933 -5.714 201 HG22 VAL 26 HG22 VAL 26 -0.427 6.800 -6.554 202 HG23 VAL 26 HG23 VAL 26 -1.190 8.378 -6.355 203 H PHE 27 H PHE 27 -2.297 10.301 -6.764 204 HA PHE 27 HA PHE 27 -1.497 11.823 -9.125 205 HB2 PHE 27 HB2 PHE 27 -2.862 12.664 -6.999 206 HB3 PHE 27 HB3 PHE 27 -1.239 12.940 -6.374 207 HD1 PHE 27 HD1 PHE 27 0.251 13.861 -8.659 208 HD2 PHE 27 HD2 PHE 27 -3.769 14.704 -7.546 209 HE1 PHE 27 HE1 PHE 27 0.362 15.990 -9.887 210 HE2 PHE 27 HE2 PHE 27 -3.665 16.835 -8.772 211 HZ PHE 27 HZ PHE 27 -1.599 17.480 -9.945 212 H VAL 28 H VAL 28 0.521 11.659 -9.818 213 HA VAL 28 HA VAL 28 2.676 11.373 -7.830 214 HB VAL 28 HB VAL 28 3.777 9.748 -9.025 215 HG11 VAL 28 HG11 VAL 28 2.325 8.015 -9.096 216 HG12 VAL 28 HG12 VAL 28 1.225 9.206 -8.399 217 HG13 VAL 28 HG13 VAL 28 1.183 8.872 -10.131 218 HG21 VAL 28 HG21 VAL 28 4.003 10.836 -11.124 219 HG22 VAL 28 HG22 VAL 28 3.278 9.261 -11.446 220 HG23 VAL 28 HG23 VAL 28 2.274 10.711 -11.450 221 H HIS 29 H HIS 29 4.545 12.524 -8.194 222 HA HIS 29 HA HIS 29 4.478 14.400 -10.467 223 HB2 HIS 29 HB2 HIS 29 4.993 14.819 -7.586 224 HB3 HIS 29 HB3 HIS 29 6.073 15.672 -8.684 225 HD1 HIS 29 HD1 HIS 29 5.274 17.975 -9.019 226 HD2 HIS 29 HD2 HIS 29 2.118 15.293 -8.686 227 HE1 HIS 29 HE1 HIS 29 3.188 19.353 -9.297 228 H PHE 30 H PHE 30 6.573 15.120 -11.258 229 HA PHE 30 HA PHE 30 8.299 13.027 -11.863 230 HB2 PHE 30 HB2 PHE 30 9.632 14.601 -12.975 231 HB3 PHE 30 HB3 PHE 30 8.030 15.331 -13.000 232 HD1 PHE 30 HD2 PHE 30 7.513 17.242 -11.568 233 HD2 PHE 30 HD1 PHE 30 11.422 15.565 -11.717 234 HE1 PHE 30 HE2 PHE 30 8.418 19.266 -10.500 235 HE2 PHE 30 HE1 PHE 30 12.333 17.585 -10.649 236 HZ PHE 30 HZ PHE 30 10.831 19.438 -10.038 237 H THR 31 H THR 31 8.201 15.103 -9.102 238 HA THR 31 HA THR 31 10.881 14.332 -8.242 239 HB THR 31 HB THR 31 9.181 15.885 -6.392 240 HG1 THR 31 HG1 THR 31 8.513 17.070 -8.063 241 HG21 THR 31 HG21 THR 31 11.167 16.684 -5.693 242 HG22 THR 31 HG22 THR 31 11.750 16.946 -7.337 243 HG23 THR 31 HG23 THR 31 11.843 15.341 -6.614 244 H ALA 32 H ALA 32 8.490 12.484 -8.398 245 HA ALA 32 HA ALA 32 8.575 11.561 -5.599 246 HB1 ALA 32 HB1 ALA 32 6.290 11.374 -7.555 247 HB2 ALA 32 HB2 ALA 32 6.331 10.575 -5.983 248 HB3 ALA 32 HB3 ALA 32 6.351 12.336 -6.078 249 H ILE 33 H ILE 33 9.656 10.934 -8.622 250 HA ILE 33 HA ILE 33 9.338 8.036 -8.505 251 HB ILE 33 HB ILE 33 10.617 9.807 -10.589 252 HG12 ILE 33 HG12 ILE 33 8.610 8.633 -11.879 253 HG13 ILE 33 HG13 ILE 33 7.943 8.526 -10.254 254 HG21 ILE 33 HG21 ILE 33 11.764 7.964 -11.140 255 HG22 ILE 33 HG22 ILE 33 10.741 6.918 -10.157 256 HG23 ILE 33 HG23 ILE 33 10.227 7.382 -11.778 257 HD11 ILE 33 HD11 ILE 33 8.794 11.134 -10.410 258 HD12 ILE 33 HD12 ILE 33 8.172 10.806 -12.028 259 HD13 ILE 33 HD13 ILE 33 7.140 10.561 -10.619 260 H GLU 34 H GLU 34 10.870 6.677 -7.819 261 HA GLU 34 HA GLU 34 13.544 7.785 -7.268 262 HB2 GLU 34 HB2 GLU 34 12.317 5.428 -5.847 263 HB3 GLU 34 HB3 GLU 34 13.728 6.364 -5.374 264 HG2 GLU 34 HG2 GLU 34 11.635 8.204 -5.509 265 HG3 GLU 34 HG3 GLU 34 10.960 6.774 -4.730 266 H ALA 35 H ALA 35 14.334 7.216 -9.329 267 HA ALA 35 HA ALA 35 14.579 4.319 -9.810 268 HB1 ALA 35 HB1 ALA 35 13.750 6.395 -11.527 269 HB2 ALA 35 HB2 ALA 35 15.325 5.847 -12.104 270 HB3 ALA 35 HB3 ALA 35 14.004 4.694 -11.918 271 H ASP 36 H ASP 36 16.636 4.008 -11.368 272 HA ASP 36 HA ASP 36 18.892 4.862 -9.740 273 HB2 ASP 36 HB2 ASP 36 18.423 2.719 -11.766 274 HB3 ASP 36 HB3 ASP 36 20.074 3.274 -11.503 275 H GLY 37 H GLY 37 18.662 7.115 -10.503 276 HA2 GLY 37 HA2 GLY 37 20.399 8.415 -11.748 277 HA3 GLY 37 HA3 GLY 37 19.920 7.476 -13.154 278 H PHE 38 H PHE 38 18.627 8.500 -14.513 279 HA PHE 38 HA PHE 38 17.387 10.978 -13.810 280 HB2 PHE 38 HB2 PHE 38 17.454 9.286 -16.291 281 HB3 PHE 38 HB3 PHE 38 16.366 10.665 -16.180 282 HD1 PHE 38 HD2 PHE 38 17.438 12.927 -15.537 283 HD2 PHE 38 HD1 PHE 38 19.629 9.587 -17.005 284 HE1 PHE 38 HE2 PHE 38 19.269 14.427 -16.205 285 HE2 PHE 38 HE1 PHE 38 21.465 11.082 -17.675 286 HZ PHE 38 HZ PHE 38 21.286 13.506 -17.276 287 H ARG 39 H ARG 39 15.627 11.037 -12.577 288 HA ARG 39 HA ARG 39 13.804 8.883 -12.305 289 HB2 ARG 39 HB2 ARG 39 13.440 11.785 -11.535 290 HB3 ARG 39 HB3 ARG 39 12.477 10.433 -10.953 291 HG2 ARG 39 HG2 ARG 39 14.179 9.625 -9.614 292 HG3 ARG 39 HG3 ARG 39 15.434 10.454 -10.537 293 HD2 ARG 39 HD2 ARG 39 14.158 12.601 -9.702 294 HD3 ARG 39 HD3 ARG 39 13.604 11.506 -8.435 295 HE ARG 39 HE ARG 39 15.676 11.643 -7.500 296 HH11 ARG 39 HH11 ARG 39 15.916 12.543 -10.855 297 HH12 ARG 39 HH12 ARG 39 17.589 12.981 -10.752 298 HH21 ARG 39 HH21 ARG 39 17.879 12.216 -7.353 299 HH22 ARG 39 HH22 ARG 39 18.705 12.794 -8.760 300 H THR 40 H THR 40 12.552 8.248 -13.940 301 HA THR 40 HA THR 40 10.599 10.055 -15.027 302 HB THR 40 HB THR 40 12.369 8.741 -17.072 303 HG1 THR 40 HG1 THR 40 13.390 10.830 -17.257 304 HG21 THR 40 HG21 THR 40 10.572 11.163 -17.227 305 HG22 THR 40 HG22 THR 40 10.098 9.532 -17.703 306 HG23 THR 40 HG23 THR 40 11.390 10.363 -18.568 307 H LEU 41 H LEU 41 8.880 8.990 -16.044 308 HA LEU 41 HA LEU 41 8.897 6.069 -15.693 309 HB2 LEU 41 HB2 LEU 41 7.124 8.024 -14.771 310 HB3 LEU 41 HB3 LEU 41 6.277 7.205 -16.082 311 HG LEU 41 HG LEU 41 5.746 6.243 -13.892 312 HD11 LEU 41 HD11 LEU 41 6.241 4.912 -16.185 313 HD12 LEU 41 HD12 LEU 41 5.613 4.156 -14.720 314 HD13 LEU 41 HD13 LEU 41 7.337 4.075 -15.085 315 HD21 LEU 41 HD21 LEU 41 8.501 5.126 -13.683 316 HD22 LEU 41 HD22 LEU 41 7.291 5.386 -12.427 317 HD23 LEU 41 HD23 LEU 41 8.187 6.755 -13.086 318 H ASN 42 H ASN 42 7.849 4.754 -17.264 319 HA ASN 42 HA ASN 42 7.756 5.998 -19.933 320 HB2 ASN 42 HB2 ASN 42 8.436 3.159 -19.139 321 HB3 ASN 42 HB3 ASN 42 8.263 3.711 -20.802 322 HD21 ASN 42 HD21 ASN 42 10.132 4.055 -17.859 323 HD22 ASN 42 HD22 ASN 42 11.563 4.661 -18.615 324 H GLU 43 H GLU 43 5.870 6.021 -20.962 325 HA GLU 43 HA GLU 43 3.486 5.132 -19.797 326 HB2 GLU 43 HB2 GLU 43 3.473 6.914 -21.424 327 HB3 GLU 43 HB3 GLU 43 4.117 5.846 -22.663 328 HG2 GLU 43 HG2 GLU 43 2.029 4.487 -22.455 329 HG3 GLU 43 HG3 GLU 43 1.391 5.747 -21.401 330 H GLY 44 H GLY 44 2.746 3.137 -19.548 331 HA2 GLY 44 HA2 GLY 44 1.942 1.078 -20.418 332 HA3 GLY 44 HA3 GLY 44 3.116 1.200 -21.720 333 H GLU 45 H GLU 45 4.581 1.991 -18.828 334 HA GLU 45 HA GLU 45 5.740 -0.702 -18.640 335 HB2 GLU 45 HB2 GLU 45 7.309 1.134 -19.138 336 HB3 GLU 45 HB3 GLU 45 6.834 1.936 -17.647 337 HG2 GLU 45 HG2 GLU 45 7.761 0.169 -16.326 338 HG3 GLU 45 HG3 GLU 45 8.084 -0.797 -17.765 339 H HIS 46 H HIS 46 6.292 -1.519 -16.506 340 HA HIS 46 HA HIS 46 4.156 -0.988 -14.613 341 HB2 HIS 46 HB2 HIS 46 6.369 -2.991 -14.232 342 HB3 HIS 46 HB3 HIS 46 4.734 -3.025 -13.579 343 HD1 HIS 46 HD1 HIS 46 2.947 -4.143 -14.972 344 HD2 HIS 46 HD2 HIS 46 6.548 -3.713 -16.998 345 HE1 HIS 46 HE1 HIS 46 2.695 -5.485 -17.083 346 H VAL 47 H VAL 47 4.401 -0.199 -12.558 347 HA VAL 47 HA VAL 47 7.005 0.324 -11.442 348 HB VAL 47 HB VAL 47 6.447 2.810 -11.151 349 HG11 VAL 47 HG11 VAL 47 7.011 2.375 -14.013 350 HG12 VAL 47 HG12 VAL 47 7.926 3.267 -12.796 351 HG13 VAL 47 HG13 VAL 47 8.047 1.509 -12.880 352 HG21 VAL 47 HG21 VAL 47 4.887 3.837 -12.482 353 HG22 VAL 47 HG22 VAL 47 4.940 2.573 -13.711 354 HG23 VAL 47 HG23 VAL 47 4.088 2.291 -12.193 355 H GLU 48 H GLU 48 6.942 0.553 -9.251 356 HA GLU 48 HA GLU 48 4.312 0.243 -8.006 357 HB2 GLU 48 HB2 GLU 48 5.772 -1.455 -7.287 358 HB3 GLU 48 HB3 GLU 48 7.119 -0.341 -7.101 359 HG2 GLU 48 HG2 GLU 48 6.044 0.670 -5.173 360 HG3 GLU 48 HG3 GLU 48 4.656 -0.399 -5.372 361 H PHE 49 H PHE 49 3.367 1.858 -6.958 362 HA PHE 49 HA PHE 49 5.034 4.124 -6.079 363 HB2 PHE 49 HB2 PHE 49 3.051 5.570 -6.497 364 HB3 PHE 49 HB3 PHE 49 3.680 4.818 -7.959 365 HD1 PHE 49 HD1 PHE 49 2.499 2.799 -8.885 366 HD2 PHE 49 HD2 PHE 49 0.834 5.240 -5.822 367 HE1 PHE 49 HE1 PHE 49 0.267 1.890 -9.379 368 HE2 PHE 49 HE2 PHE 49 -1.401 4.335 -6.310 369 HZ PHE 49 HZ PHE 49 -1.687 2.657 -8.090 370 H GLU 50 H GLU 50 4.591 5.051 -4.095 371 HA GLU 50 HA GLU 50 2.912 3.421 -2.325 372 HB2 GLU 50 HB2 GLU 50 5.380 5.021 -1.966 373 HB3 GLU 50 HB3 GLU 50 4.241 5.039 -0.626 374 HG2 GLU 50 HG2 GLU 50 4.352 2.387 -1.194 375 HG3 GLU 50 HG3 GLU 50 5.993 2.900 -1.585 376 H VAL 51 H VAL 51 0.880 4.240 -2.545 377 HA VAL 51 HA VAL 51 0.226 6.963 -2.808 378 HB VAL 51 HB VAL 51 -2.071 6.285 -2.155 379 HG11 VAL 51 HG11 VAL 51 -0.697 5.697 -4.438 380 HG12 VAL 51 HG12 VAL 51 -1.366 4.124 -3.999 381 HG13 VAL 51 HG13 VAL 51 -2.437 5.507 -4.225 382 HG21 VAL 51 HG21 VAL 51 -2.445 4.474 -0.925 383 HG22 VAL 51 HG22 VAL 51 -1.696 3.451 -2.151 384 HG23 VAL 51 HG23 VAL 51 -0.708 4.170 -0.879 385 H GLU 52 H GLU 52 0.288 8.558 -1.377 386 HA GLU 52 HA GLU 52 0.300 7.874 1.487 387 HB2 GLU 52 HB2 GLU 52 1.981 9.599 -0.108 388 HB3 GLU 52 HB3 GLU 52 1.214 10.510 1.185 389 HG2 GLU 52 HG2 GLU 52 2.045 8.286 2.509 390 HG3 GLU 52 HG3 GLU 52 3.313 8.478 1.299 391 HA PRO 53 HA PRO 53 -3.361 10.180 2.203 392 HB2 PRO 53 HB2 PRO 53 -2.842 11.355 4.595 393 HB3 PRO 53 HB3 PRO 53 -3.158 9.624 4.423 394 HG2 PRO 53 HG2 PRO 53 -0.541 11.055 4.677 395 HG3 PRO 53 HG3 PRO 53 -1.076 9.555 5.457 396 HD2 PRO 53 HD2 PRO 53 0.544 9.572 3.287 397 HD3 PRO 53 HD3 PRO 53 -0.634 8.279 3.589 398 H GLY 54 H GLY 54 -1.398 12.451 3.975 399 HA2 GLY 54 HA2 GLY 54 -2.412 14.635 2.395 400 HA3 GLY 54 HA3 GLY 54 -1.350 14.759 3.789 401 H ARG 55 H ARG 55 -1.144 13.345 0.518 402 HA ARG 55 HA ARG 55 1.336 14.876 0.122 403 HB2 ARG 55 HB2 ARG 55 0.878 11.948 -0.137 404 HB3 ARG 55 HB3 ARG 55 1.913 12.714 -1.335 405 HG2 ARG 55 HG2 ARG 55 2.313 12.844 1.647 406 HG3 ARG 55 HG3 ARG 55 3.182 11.780 0.539 407 HD2 ARG 55 HD2 ARG 55 3.885 13.887 -0.693 408 HD3 ARG 55 HD3 ARG 55 3.274 14.781 0.699 409 HE ARG 55 HE ARG 55 4.981 12.914 1.748 410 HH11 ARG 55 HH11 ARG 55 5.228 15.473 -0.600 411 HH12 ARG 55 HH12 ARG 55 6.898 15.794 -0.268 412 HH21 ARG 55 HH21 ARG 55 7.180 13.327 2.194 413 HH22 ARG 55 HH22 ARG 55 8.007 14.572 1.321 414 H GLY 56 H GLY 56 -1.344 13.122 -1.389 415 HA2 GLY 56 HA2 GLY 56 -0.826 14.509 -3.921 416 HA3 GLY 56 HA3 GLY 56 -1.913 13.147 -3.695 417 H GLY 57 H GLY 57 -2.131 16.032 -4.775 418 HA2 GLY 57 HA2 GLY 57 -3.743 17.635 -3.239 419 HA3 GLY 57 HA3 GLY 57 -3.889 17.502 -4.986 420 H LYS 58 H LYS 58 -4.672 14.729 -4.995 421 HA LYS 58 HA LYS 58 -7.471 15.103 -4.278 422 HB2 LYS 58 HB2 LYS 58 -6.001 13.123 -5.999 423 HB3 LYS 58 HB3 LYS 58 -7.671 12.849 -5.520 424 HG2 LYS 58 HG2 LYS 58 -6.676 15.262 -7.022 425 HG3 LYS 58 HG3 LYS 58 -7.474 13.864 -7.746 426 HD2 LYS 58 HD2 LYS 58 -8.660 15.746 -5.706 427 HD3 LYS 58 HD3 LYS 58 -9.063 15.675 -7.423 428 HE2 LYS 58 HE2 LYS 58 -9.812 13.327 -7.084 429 HE3 LYS 58 HE3 LYS 58 -9.536 13.532 -5.355 430 HZ1 LYS 58 HZ1 LYS 58 -11.102 15.667 -6.159 431 HZ2 LYS 58 HZ2 LYS 58 -11.576 14.345 -5.216 432 HZ3 LYS 58 HZ3 LYS 58 -11.777 14.301 -6.895 433 H GLY 59 H GLY 59 -4.676 13.330 -3.260 434 HA2 GLY 59 HA2 GLY 59 -5.291 12.681 -0.768 435 HA3 GLY 59 HA3 GLY 59 -6.258 11.494 -1.630 436 HA PRO 60 HA PRO 60 -2.792 8.803 -1.630 437 HB2 PRO 60 HB2 PRO 60 -3.399 7.259 -3.779 438 HB3 PRO 60 HB3 PRO 60 -4.257 7.142 -2.238 439 HG2 PRO 60 HG2 PRO 60 -5.049 8.577 -4.743 440 HG3 PRO 60 HG3 PRO 60 -6.042 7.579 -3.664 441 HD2 PRO 60 HD2 PRO 60 -6.074 10.286 -3.585 442 HD3 PRO 60 HD3 PRO 60 -6.324 9.285 -2.140 443 H GLN 61 H GLN 61 -0.828 9.522 -2.174 444 HA GLN 61 HA GLN 61 -0.334 10.236 -4.990 445 HB2 GLN 61 HB2 GLN 61 0.014 12.245 -3.899 446 HB3 GLN 61 HB3 GLN 61 0.613 11.469 -2.439 447 HG2 GLN 61 HG2 GLN 61 2.723 11.039 -3.426 448 HG3 GLN 61 HG3 GLN 61 2.138 11.493 -5.026 449 HE21 GLN 61 HE21 GLN 61 1.168 13.797 -5.031 450 HE22 GLN 61 HE22 GLN 61 2.144 15.005 -4.275 451 H ALA 62 H ALA 62 1.793 9.759 -5.822 452 HA ALA 62 HA ALA 62 2.712 7.172 -4.978 453 HB1 ALA 62 HB1 ALA 62 4.459 7.672 -6.841 454 HB2 ALA 62 HB2 ALA 62 2.773 7.383 -7.275 455 HB3 ALA 62 HB3 ALA 62 3.398 9.032 -7.213 456 H LYS 63 H LYS 63 3.156 8.456 -2.785 457 HA LYS 63 HA LYS 63 5.253 10.082 -2.282 458 HB2 LYS 63 HB2 LYS 63 3.875 9.228 -0.492 459 HB3 LYS 63 HB3 LYS 63 4.473 7.595 -0.754 460 HG2 LYS 63 HG2 LYS 63 6.789 8.922 -0.296 461 HG3 LYS 63 HG3 LYS 63 5.666 9.833 0.718 462 HD2 LYS 63 HD2 LYS 63 6.689 8.007 1.972 463 HD3 LYS 63 HD3 LYS 63 4.952 7.751 1.792 464 HE2 LYS 63 HE2 LYS 63 5.339 5.774 0.860 465 HE3 LYS 63 HE3 LYS 63 6.249 6.556 -0.431 466 HZ1 LYS 63 HZ1 LYS 63 7.376 5.724 2.188 467 HZ2 LYS 63 HZ2 LYS 63 8.238 6.413 0.906 468 HZ3 LYS 63 HZ3 LYS 63 7.557 4.874 0.737 469 H LYS 64 H LYS 64 5.464 6.614 -2.952 470 HA LYS 64 HA LYS 64 8.321 6.980 -3.534 471 HB2 LYS 64 HB2 LYS 64 7.889 5.884 -1.272 472 HB3 LYS 64 HB3 LYS 64 7.247 4.515 -2.169 473 HG2 LYS 64 HG2 LYS 64 9.601 4.781 -3.412 474 HG3 LYS 64 HG3 LYS 64 10.033 5.424 -1.826 475 HD2 LYS 64 HD2 LYS 64 9.304 3.397 -0.750 476 HD3 LYS 64 HD3 LYS 64 8.678 2.766 -2.275 477 HE2 LYS 64 HE2 LYS 64 10.760 1.701 -1.922 478 HE3 LYS 64 HE3 LYS 64 11.037 2.922 -3.163 479 HZ1 LYS 64 HZ1 LYS 64 12.524 2.621 -0.940 480 HZ2 LYS 64 HZ2 LYS 64 11.469 3.857 -0.471 481 HZ3 LYS 64 HZ3 LYS 64 12.431 4.045 -1.849 482 H VAL 65 H VAL 65 8.431 6.695 -5.668 483 HA VAL 65 HA VAL 65 6.862 4.526 -6.888 484 HB VAL 65 HB VAL 65 7.567 7.212 -7.770 485 HG11 VAL 65 HG11 VAL 65 9.219 6.144 -9.133 486 HG12 VAL 65 HG12 VAL 65 8.075 4.897 -9.631 487 HG13 VAL 65 HG13 VAL 65 7.850 6.564 -10.162 488 HG21 VAL 65 HG21 VAL 65 5.289 6.026 -7.536 489 HG22 VAL 65 HG22 VAL 65 5.556 7.068 -8.933 490 HG23 VAL 65 HG23 VAL 65 5.669 5.317 -9.105 491 H ARG 66 H ARG 66 7.833 2.956 -8.112 492 HA ARG 66 HA ARG 66 10.764 3.032 -8.328 493 HB2 ARG 66 HB2 ARG 66 9.036 0.919 -7.112 494 HB3 ARG 66 HB3 ARG 66 10.498 0.433 -7.960 495 HG2 ARG 66 HG2 ARG 66 10.771 2.603 -5.972 496 HG3 ARG 66 HG3 ARG 66 10.441 0.983 -5.355 497 HD2 ARG 66 HD2 ARG 66 12.562 1.329 -7.417 498 HD3 ARG 66 HD3 ARG 66 12.906 1.823 -5.759 499 HE ARG 66 HE ARG 66 11.847 -0.716 -5.590 500 HH11 ARG 66 HH11 ARG 66 14.598 0.791 -7.100 501 HH12 ARG 66 HH12 ARG 66 15.592 -0.625 -7.003 502 HH21 ARG 66 HH21 ARG 66 13.145 -2.586 -5.455 503 HH22 ARG 66 HH22 ARG 66 14.764 -2.546 -6.068 504 H ARG 67 H ARG 67 11.633 2.126 -10.163 505 HA ARG 67 HA ARG 67 9.849 1.848 -12.398 506 HB2 ARG 67 HB2 ARG 67 11.811 1.731 -13.750 507 HB3 ARG 67 HB3 ARG 67 12.114 2.935 -12.505 508 HG2 ARG 67 HG2 ARG 67 14.055 1.851 -12.259 509 HG3 ARG 67 HG3 ARG 67 13.095 0.713 -11.312 510 HD2 ARG 67 HD2 ARG 67 12.663 -0.311 -13.732 511 HD3 ARG 67 HD3 ARG 67 14.225 0.447 -14.041 512 HE ARG 67 HE ARG 67 14.243 -1.112 -11.652 513 HH11 ARG 67 HH11 ARG 67 14.445 -1.295 -15.123 514 HH12 ARG 67 HH12 ARG 67 15.350 -2.772 -15.123 515 HH21 ARG 67 HH21 ARG 67 15.435 -3.057 -11.640 516 HH22 ARG 67 HH22 ARG 67 15.912 -3.774 -13.141 517 H ILE 68 H ILE 68 9.189 0.031 -13.402 518 HA ILE 68 HA ILE 68 10.405 -2.529 -12.663 519 HB ILE 68 HB ILE 68 7.411 -2.204 -12.723 520 HG12 ILE 68 HG12 ILE 68 8.498 -0.852 -10.885 521 HG13 ILE 68 HG13 ILE 68 7.375 -2.091 -10.337 522 HG21 ILE 68 HG21 ILE 68 9.292 -4.390 -11.878 523 HG22 ILE 68 HG22 ILE 68 7.596 -4.362 -11.396 524 HG23 ILE 68 HG23 ILE 68 8.026 -4.445 -13.104 525 HD11 ILE 68 HD11 ILE 68 10.253 -2.790 -10.521 526 HD12 ILE 68 HD12 ILE 68 9.718 -1.750 -9.200 527 HD13 ILE 68 HD13 ILE 68 9.017 -3.356 -9.397 Start of MODEL 13 1 H1 MET 1 H MET 1 0.026 1.739 -0.898 2 HA MET 1 HA MET 1 2.613 0.567 -1.651 3 HB2 MET 1 HB2 MET 1 0.662 -0.801 0.200 4 HB3 MET 1 HB3 MET 1 2.293 -1.314 -0.211 5 HG2 MET 1 HG2 MET 1 3.201 0.627 0.956 6 HG3 MET 1 HG3 MET 1 1.567 1.145 1.364 7 HE1 MET 1 HE1 MET 1 3.781 0.930 3.406 8 HE2 MET 1 HE2 MET 1 3.805 -0.495 4.445 9 HE3 MET 1 HE3 MET 1 4.610 -0.534 2.875 10 H LYS 2 H LYS 2 1.342 1.037 -3.739 11 HA LYS 2 HA LYS 2 -0.170 -1.392 -4.426 12 HB2 LYS 2 HB2 LYS 2 -0.771 1.447 -5.267 13 HB3 LYS 2 HB3 LYS 2 -1.501 0.032 -6.014 14 HG2 LYS 2 HG2 LYS 2 -1.764 0.851 -3.128 15 HG3 LYS 2 HG3 LYS 2 -2.996 1.015 -4.382 16 HD2 LYS 2 HD2 LYS 2 -2.646 -1.560 -4.656 17 HD3 LYS 2 HD3 LYS 2 -1.980 -1.447 -3.025 18 HE2 LYS 2 HE2 LYS 2 -4.723 -0.533 -3.889 19 HE3 LYS 2 HE3 LYS 2 -4.361 -2.003 -2.985 20 HZ1 LYS 2 HZ1 LYS 2 -3.228 -0.270 -1.389 21 HZ2 LYS 2 HZ2 LYS 2 -4.881 -0.613 -1.284 22 HZ3 LYS 2 HZ3 LYS 2 -4.355 0.780 -2.088 23 H LYS 3 H LYS 3 -0.029 -2.039 -6.655 24 HA LYS 3 HA LYS 3 2.255 -0.885 -8.107 25 HB2 LYS 3 HB2 LYS 3 1.679 -3.841 -8.065 26 HB3 LYS 3 HB3 LYS 3 3.128 -3.022 -8.634 27 HG2 LYS 3 HG2 LYS 3 3.377 -2.257 -6.180 28 HG3 LYS 3 HG3 LYS 3 2.245 -3.566 -5.831 29 HD2 LYS 3 HD2 LYS 3 3.994 -4.849 -7.440 30 HD3 LYS 3 HD3 LYS 3 5.067 -3.669 -6.683 31 HE2 LYS 3 HE2 LYS 3 4.195 -4.417 -4.466 32 HE3 LYS 3 HE3 LYS 3 3.310 -5.693 -5.301 33 HZ1 LYS 3 HZ1 LYS 3 5.480 -6.464 -6.186 34 HZ2 LYS 3 HZ2 LYS 3 5.346 -6.595 -4.505 35 HZ3 LYS 3 HZ3 LYS 3 6.254 -5.340 -5.186 36 H GLY 4 H GLY 4 1.997 -0.640 -10.273 37 HA2 GLY 4 HA2 GLY 4 0.117 -2.098 -11.828 38 HA3 GLY 4 HA3 GLY 4 -0.531 -0.521 -11.403 39 H THR 5 H THR 5 -0.259 -1.021 -14.008 40 HA THR 5 HA THR 5 2.313 -0.037 -14.939 41 HB THR 5 HB THR 5 1.381 -0.347 -17.207 42 HG1 THR 5 HG1 THR 5 -0.848 0.056 -16.556 43 HG21 THR 5 HG21 THR 5 0.625 -2.938 -16.397 44 HG22 THR 5 HG22 THR 5 1.845 -2.389 -15.247 45 HG23 THR 5 HG23 THR 5 2.204 -2.404 -16.973 46 H VAL 6 H VAL 6 2.699 1.946 -15.807 47 HA VAL 6 HA VAL 6 0.869 4.056 -15.152 48 HB VAL 6 HB VAL 6 3.543 4.003 -15.310 49 HG11 VAL 6 HG11 VAL 6 3.445 3.720 -17.785 50 HG12 VAL 6 HG12 VAL 6 2.727 5.328 -17.892 51 HG13 VAL 6 HG13 VAL 6 4.361 5.131 -17.258 52 HG21 VAL 6 HG21 VAL 6 3.507 6.370 -15.068 53 HG22 VAL 6 HG22 VAL 6 1.981 6.500 -15.943 54 HG23 VAL 6 HG23 VAL 6 2.020 5.755 -14.345 55 H LYS 7 H LYS 7 -0.242 5.416 -16.535 56 HA LYS 7 HA LYS 7 -0.722 4.320 -19.214 57 HB2 LYS 7 HB2 LYS 7 -2.640 4.644 -17.615 58 HB3 LYS 7 HB3 LYS 7 -2.361 6.377 -17.728 59 HG2 LYS 7 HG2 LYS 7 -2.847 6.333 -20.098 60 HG3 LYS 7 HG3 LYS 7 -3.041 4.579 -20.047 61 HD2 LYS 7 HD2 LYS 7 -5.120 4.718 -19.207 62 HD3 LYS 7 HD3 LYS 7 -4.687 6.025 -18.102 63 HE2 LYS 7 HE2 LYS 7 -6.023 7.237 -19.459 64 HE3 LYS 7 HE3 LYS 7 -4.565 7.339 -20.444 65 HZ1 LYS 7 HZ1 LYS 7 -6.003 4.966 -21.024 66 HZ2 LYS 7 HZ2 LYS 7 -5.558 6.224 -22.063 67 HZ3 LYS 7 HZ3 LYS 7 -7.009 6.314 -21.198 68 H TRP 8 H TRP 8 0.455 7.123 -17.533 69 HA TRP 8 HA TRP 8 1.754 8.164 -19.795 70 HB2 TRP 8 HB2 TRP 8 0.456 10.000 -20.447 71 HB3 TRP 8 HB3 TRP 8 -0.731 8.715 -20.249 72 HD1 TRP 8 HD1 TRP 8 0.506 11.924 -18.532 73 HE1 TRP 8 HE1 TRP 8 -1.340 12.756 -16.942 74 HE3 TRP 8 HE3 TRP 8 -2.736 7.990 -18.921 75 HZ2 TRP 8 HZ2 TRP 8 -3.839 11.863 -15.980 76 HZ3 TRP 8 HZ3 TRP 8 -4.832 8.057 -17.633 77 HH2 TRP 8 HH2 TRP 8 -5.369 9.954 -16.193 78 H PHE 9 H PHE 9 3.248 9.689 -19.225 79 HA PHE 9 HA PHE 9 3.047 10.877 -16.550 80 HB2 PHE 9 HB2 PHE 9 4.473 8.858 -16.400 81 HB3 PHE 9 HB3 PHE 9 5.528 9.530 -17.638 82 HD1 PHE 9 HD2 PHE 9 6.854 11.567 -17.152 83 HD2 PHE 9 HD1 PHE 9 4.631 9.539 -14.142 84 HE1 PHE 9 HE2 PHE 9 8.160 12.721 -15.415 85 HE2 PHE 9 HE1 PHE 9 5.932 10.691 -12.400 86 HZ PHE 9 HZ PHE 9 7.698 12.285 -13.035 87 H ASN 10 H ASN 10 2.748 12.946 -17.206 88 HA ASN 10 HA ASN 10 4.067 14.137 -19.413 89 HB2 ASN 10 HB2 ASN 10 2.225 14.994 -17.291 90 HB3 ASN 10 HB3 ASN 10 3.323 16.257 -17.838 91 HD21 ASN 10 HD21 ASN 10 1.944 17.503 -18.962 92 HD22 ASN 10 HD22 ASN 10 1.066 16.978 -20.354 93 H ALA 11 H ALA 11 6.137 14.661 -19.549 94 HA ALA 11 HA ALA 11 7.698 15.058 -17.114 95 HB1 ALA 11 HB1 ALA 11 9.614 15.126 -18.838 96 HB2 ALA 11 HB2 ALA 11 8.804 13.588 -18.534 97 HB3 ALA 11 HB3 ALA 11 8.406 14.524 -19.974 98 H GLU 12 H GLU 12 6.327 16.848 -19.726 99 HA GLU 12 HA GLU 12 8.011 19.083 -19.778 100 HB2 GLU 12 HB2 GLU 12 5.077 18.752 -20.382 101 HB3 GLU 12 HB3 GLU 12 5.906 20.290 -20.580 102 HG2 GLU 12 HG2 GLU 12 6.886 17.789 -21.907 103 HG3 GLU 12 HG3 GLU 12 5.642 18.805 -22.632 104 H LYS 13 H LYS 13 5.452 18.166 -17.584 105 HA LYS 13 HA LYS 13 5.780 20.705 -16.136 106 HB2 LYS 13 HB2 LYS 13 3.531 18.707 -16.234 107 HB3 LYS 13 HB3 LYS 13 3.646 19.902 -14.949 108 HG2 LYS 13 HG2 LYS 13 3.790 21.623 -16.858 109 HG3 LYS 13 HG3 LYS 13 3.167 20.320 -17.873 110 HD2 LYS 13 HD2 LYS 13 1.143 20.231 -16.731 111 HD3 LYS 13 HD3 LYS 13 1.803 21.030 -15.302 112 HE2 LYS 13 HE2 LYS 13 1.389 22.351 -17.981 113 HE3 LYS 13 HE3 LYS 13 0.278 22.472 -16.618 114 HZ1 LYS 13 HZ1 LYS 13 2.627 23.181 -15.512 115 HZ2 LYS 13 HZ2 LYS 13 1.475 24.269 -16.102 116 HZ3 LYS 13 HZ3 LYS 13 2.786 23.819 -17.071 117 H GLY 14 H GLY 14 5.929 17.212 -15.846 118 HA2 GLY 14 HA2 GLY 14 7.495 16.179 -14.360 119 HA3 GLY 14 HA3 GLY 14 7.338 17.564 -13.289 120 H TYR 15 H TYR 15 4.751 15.673 -14.789 121 HA TYR 15 HA TYR 15 4.083 14.507 -12.193 122 HB2 TYR 15 HB2 TYR 15 1.850 15.295 -12.174 123 HB3 TYR 15 HB3 TYR 15 2.840 16.706 -12.529 124 HD1 TYR 15 HD1 TYR 15 0.465 14.273 -13.928 125 HD2 TYR 15 HD2 TYR 15 2.702 17.818 -14.658 126 HE1 TYR 15 HE1 TYR 15 -0.869 14.691 -15.952 127 HE2 TYR 15 HE2 TYR 15 1.373 18.247 -16.682 128 HH TYR 15 HH TYR 15 -0.038 17.199 -18.216 129 H GLY 16 H GLY 16 2.078 13.012 -12.499 130 HA2 GLY 16 HA2 GLY 16 1.550 11.917 -15.057 131 HA3 GLY 16 HA3 GLY 16 2.779 10.958 -14.244 132 H PHE 17 H PHE 17 0.602 9.614 -14.842 133 HA PHE 17 HA PHE 17 -0.681 9.219 -12.241 134 HB2 PHE 17 HB2 PHE 17 -2.027 9.977 -14.768 135 HB3 PHE 17 HB3 PHE 17 -2.790 8.689 -13.841 136 HD1 PHE 17 HD2 PHE 17 -1.363 12.101 -13.385 137 HD2 PHE 17 HD1 PHE 17 -4.289 9.251 -12.190 138 HE1 PHE 17 HE2 PHE 17 -2.393 13.781 -11.911 139 HE2 PHE 17 HE1 PHE 17 -5.325 10.926 -10.715 140 HZ PHE 17 HZ PHE 17 -4.377 13.195 -10.575 141 H ILE 18 H ILE 18 -0.639 7.152 -11.657 142 HA ILE 18 HA ILE 18 0.056 5.146 -13.675 143 HB ILE 18 HB ILE 18 0.086 4.903 -10.664 144 HG12 ILE 18 HG12 ILE 18 2.529 5.022 -12.399 145 HG13 ILE 18 HG13 ILE 18 1.738 6.514 -11.905 146 HG21 ILE 18 HG21 ILE 18 0.933 3.063 -12.880 147 HG22 ILE 18 HG22 ILE 18 1.575 2.917 -11.245 148 HG23 ILE 18 HG23 ILE 18 -0.156 2.737 -11.532 149 HD11 ILE 18 HD11 ILE 18 1.933 5.573 -9.522 150 HD12 ILE 18 HD12 ILE 18 3.115 4.467 -10.222 151 HD13 ILE 18 HD13 ILE 18 3.379 6.208 -10.305 152 H GLN 19 H GLN 19 -1.049 3.149 -13.806 153 HA GLN 19 HA GLN 19 -3.731 3.129 -12.593 154 HB2 GLN 19 HB2 GLN 19 -3.172 2.078 -15.358 155 HB3 GLN 19 HB3 GLN 19 -4.730 2.409 -14.613 156 HG2 GLN 19 HG2 GLN 19 -2.711 4.360 -15.661 157 HG3 GLN 19 HG3 GLN 19 -4.386 4.134 -16.159 158 HE21 GLN 19 HE21 GLN 19 -2.641 6.374 -14.922 159 HE22 GLN 19 HE22 GLN 19 -3.669 7.025 -13.695 160 H GLN 20 H GLN 20 -4.327 1.271 -11.646 161 HA GLN 20 HA GLN 20 -2.438 -0.962 -11.756 162 HB2 GLN 20 HB2 GLN 20 -4.756 -0.628 -9.856 163 HB3 GLN 20 HB3 GLN 20 -3.376 -1.705 -9.689 164 HG2 GLN 20 HG2 GLN 20 -1.902 0.130 -9.295 165 HG3 GLN 20 HG3 GLN 20 -3.167 1.294 -9.684 166 HE21 GLN 20 HE21 GLN 20 -3.280 -1.623 -7.691 167 HE22 GLN 20 HE22 GLN 20 -3.747 -0.822 -6.233 168 H GLU 21 H GLU 21 -4.112 -3.017 -10.921 169 HA GLU 21 HA GLU 21 -5.015 -4.114 -13.267 170 HB2 GLU 21 HB2 GLU 21 -6.123 -4.616 -10.499 171 HB3 GLU 21 HB3 GLU 21 -6.333 -5.674 -11.888 172 HG2 GLU 21 HG2 GLU 21 -4.103 -6.325 -11.889 173 HG3 GLU 21 HG3 GLU 21 -3.601 -4.943 -10.916 174 H GLU 22 H GLU 22 -6.675 -1.903 -11.132 175 HA GLU 22 HA GLU 22 -9.082 -2.075 -12.812 176 HB2 GLU 22 HB2 GLU 22 -8.814 -0.721 -10.126 177 HB3 GLU 22 HB3 GLU 22 -10.300 -1.071 -10.998 178 HG2 GLU 22 HG2 GLU 22 -9.612 -3.530 -10.792 179 HG3 GLU 22 HG3 GLU 22 -8.473 -2.964 -9.571 180 H GLY 23 H GLY 23 -6.489 -0.001 -11.810 181 HA2 GLY 23 HA2 GLY 23 -5.791 2.024 -12.653 182 HA3 GLY 23 HA3 GLY 23 -7.017 1.858 -13.901 183 HA PRO 24 HA PRO 24 -9.245 3.943 -10.150 184 HB2 PRO 24 HB2 PRO 24 -7.683 4.682 -8.057 185 HB3 PRO 24 HB3 PRO 24 -8.466 3.101 -8.160 186 HG2 PRO 24 HG2 PRO 24 -5.640 3.861 -8.794 187 HG3 PRO 24 HG3 PRO 24 -6.248 2.441 -7.923 188 HD2 PRO 24 HD2 PRO 24 -5.490 2.342 -10.520 189 HD3 PRO 24 HD3 PRO 24 -6.789 1.324 -9.865 190 H ASP 25 H ASP 25 -6.352 5.511 -9.054 191 HA ASP 25 HA ASP 25 -5.830 7.400 -10.964 192 HB2 ASP 25 HB2 ASP 25 -7.189 9.362 -9.888 193 HB3 ASP 25 HB3 ASP 25 -7.958 8.313 -11.075 194 H VAL 26 H VAL 26 -3.811 7.490 -10.136 195 HA VAL 26 HA VAL 26 -3.526 8.527 -7.390 196 HB VAL 26 HB VAL 26 -2.565 6.139 -8.244 197 HG11 VAL 26 HG11 VAL 26 -1.065 7.436 -9.834 198 HG12 VAL 26 HG12 VAL 26 -0.176 7.958 -8.401 199 HG13 VAL 26 HG13 VAL 26 -0.280 6.242 -8.800 200 HG21 VAL 26 HG21 VAL 26 -2.671 7.050 -5.932 201 HG22 VAL 26 HG22 VAL 26 -1.196 6.144 -6.269 202 HG23 VAL 26 HG23 VAL 26 -1.162 7.907 -6.244 203 H PHE 27 H PHE 27 -2.044 10.159 -7.012 204 HA PHE 27 HA PHE 27 -1.198 11.622 -9.406 205 HB2 PHE 27 HB2 PHE 27 -2.568 12.561 -7.312 206 HB3 PHE 27 HB3 PHE 27 -0.940 12.822 -6.696 207 HD1 PHE 27 HD1 PHE 27 0.561 13.607 -9.038 208 HD2 PHE 27 HD2 PHE 27 -3.417 14.615 -7.908 209 HE1 PHE 27 HE1 PHE 27 0.721 15.686 -10.343 210 HE2 PHE 27 HE2 PHE 27 -3.263 16.696 -9.212 211 HZ PHE 27 HZ PHE 27 -1.192 17.235 -10.431 212 H VAL 28 H VAL 28 0.833 11.399 -10.043 213 HA VAL 28 HA VAL 28 2.920 11.016 -7.996 214 HB VAL 28 HB VAL 28 4.014 9.401 -9.220 215 HG11 VAL 28 HG11 VAL 28 1.427 8.599 -10.387 216 HG12 VAL 28 HG12 VAL 28 2.520 7.710 -9.324 217 HG13 VAL 28 HG13 VAL 28 1.427 8.921 -8.653 218 HG21 VAL 28 HG21 VAL 28 4.284 10.545 -11.289 219 HG22 VAL 28 HG22 VAL 28 3.552 8.982 -11.653 220 HG23 VAL 28 HG23 VAL 28 2.559 10.440 -11.644 221 H HIS 29 H HIS 29 4.816 12.138 -8.250 222 HA HIS 29 HA HIS 29 4.934 14.012 -10.522 223 HB2 HIS 29 HB2 HIS 29 5.184 14.480 -7.610 224 HB3 HIS 29 HB3 HIS 29 6.348 15.326 -8.626 225 HD1 HIS 29 HD1 HIS 29 5.559 17.619 -9.049 226 HD2 HIS 29 HD2 HIS 29 2.414 14.905 -8.982 227 HE1 HIS 29 HE1 HIS 29 3.494 18.970 -9.533 228 H PHE 30 H PHE 30 7.124 14.770 -11.053 229 HA PHE 30 HA PHE 30 8.891 12.665 -11.499 230 HB2 PHE 30 HB2 PHE 30 10.390 14.267 -12.391 231 HB3 PHE 30 HB3 PHE 30 8.780 14.913 -12.696 232 HD1 PHE 30 HD1 PHE 30 11.868 15.304 -10.787 233 HD2 PHE 30 HD2 PHE 30 7.979 16.869 -11.524 234 HE1 PHE 30 HE1 PHE 30 12.495 17.390 -9.644 235 HE2 PHE 30 HE2 PHE 30 8.600 18.959 -10.383 236 HZ PHE 30 HZ PHE 30 10.860 19.221 -9.440 237 H THR 31 H THR 31 8.454 14.639 -8.721 238 HA THR 31 HA THR 31 11.054 13.922 -7.600 239 HB THR 31 HB THR 31 10.199 16.240 -7.314 240 HG1 THR 31 HG1 THR 31 11.033 16.348 -5.309 241 HG21 THR 31 HG21 THR 31 8.364 16.724 -5.866 242 HG22 THR 31 HG22 THR 31 8.201 15.028 -5.409 243 HG23 THR 31 HG23 THR 31 7.796 15.543 -7.046 244 H ALA 32 H ALA 32 8.684 12.055 -8.062 245 HA ALA 32 HA ALA 32 8.498 11.040 -5.300 246 HB1 ALA 32 HB1 ALA 32 6.469 10.069 -7.170 247 HB2 ALA 32 HB2 ALA 32 6.300 10.671 -5.520 248 HB3 ALA 32 HB3 ALA 32 6.399 11.805 -6.867 249 H ILE 33 H ILE 33 9.373 10.389 -8.563 250 HA ILE 33 HA ILE 33 9.330 7.545 -8.432 251 HB ILE 33 HB ILE 33 10.841 9.408 -10.265 252 HG12 ILE 33 HG12 ILE 33 9.044 8.320 -11.860 253 HG13 ILE 33 HG13 ILE 33 8.178 8.044 -10.353 254 HG21 ILE 33 HG21 ILE 33 10.961 7.296 -11.709 255 HG22 ILE 33 HG22 ILE 33 12.073 7.424 -10.348 256 HG23 ILE 33 HG23 ILE 33 10.632 6.416 -10.217 257 HD11 ILE 33 HD11 ILE 33 9.135 10.745 -10.466 258 HD12 ILE 33 HD12 ILE 33 8.197 10.357 -11.909 259 HD13 ILE 33 HD13 ILE 33 7.486 10.142 -10.310 260 H GLU 34 H GLU 34 10.733 6.185 -7.532 261 HA GLU 34 HA GLU 34 13.101 7.254 -6.237 262 HB2 GLU 34 HB2 GLU 34 12.065 4.415 -6.239 263 HB3 GLU 34 HB3 GLU 34 13.266 5.097 -5.152 264 HG2 GLU 34 HG2 GLU 34 10.807 6.608 -5.088 265 HG3 GLU 34 HG3 GLU 34 10.537 4.905 -4.718 266 H ALA 35 H ALA 35 14.365 7.740 -8.089 267 HA ALA 35 HA ALA 35 15.668 5.368 -9.235 268 HB1 ALA 35 HB1 ALA 35 15.854 6.648 -11.400 269 HB2 ALA 35 HB2 ALA 35 14.238 6.076 -10.984 270 HB3 ALA 35 HB3 ALA 35 14.663 7.770 -10.742 271 H ASP 36 H ASP 36 17.849 5.702 -9.927 272 HA ASP 36 HA ASP 36 19.296 7.476 -8.211 273 HB2 ASP 36 HB2 ASP 36 19.992 5.378 -10.206 274 HB3 ASP 36 HB3 ASP 36 21.228 6.570 -9.814 275 H GLY 37 H GLY 37 18.215 9.447 -9.079 276 HA2 GLY 37 HA2 GLY 37 19.338 11.427 -10.064 277 HA3 GLY 37 HA3 GLY 37 19.647 10.424 -11.473 278 H PHE 38 H PHE 38 18.261 12.970 -11.344 279 HA PHE 38 HA PHE 38 15.508 12.835 -11.398 280 HB2 PHE 38 HB2 PHE 38 15.578 14.796 -12.883 281 HB3 PHE 38 HB3 PHE 38 16.739 14.942 -11.568 282 HD1 PHE 38 HD2 PHE 38 19.160 14.508 -12.027 283 HD2 PHE 38 HD1 PHE 38 16.264 14.837 -15.129 284 HE1 PHE 38 HE2 PHE 38 20.957 14.908 -13.658 285 HE2 PHE 38 HE1 PHE 38 18.057 15.236 -16.765 286 HZ PHE 38 HZ PHE 38 20.408 15.273 -16.030 287 H ARG 39 H ARG 39 14.210 11.535 -12.496 288 HA ARG 39 HA ARG 39 14.541 11.219 -15.356 289 HB2 ARG 39 HB2 ARG 39 14.773 8.914 -13.431 290 HB3 ARG 39 HB3 ARG 39 14.277 8.683 -15.102 291 HG2 ARG 39 HG2 ARG 39 16.880 9.898 -14.197 292 HG3 ARG 39 HG3 ARG 39 16.657 8.253 -14.796 293 HD2 ARG 39 HD2 ARG 39 15.605 9.496 -16.859 294 HD3 ARG 39 HD3 ARG 39 16.577 10.844 -16.268 295 HE ARG 39 HE ARG 39 17.523 8.471 -17.568 296 HH11 ARG 39 HH11 ARG 39 18.349 11.013 -15.337 297 HH12 ARG 39 HH12 ARG 39 20.053 10.885 -15.620 298 HH21 ARG 39 HH21 ARG 39 19.765 8.293 -17.948 299 HH22 ARG 39 HH22 ARG 39 20.858 9.339 -17.106 300 H THR 40 H THR 40 12.726 9.410 -16.001 301 HA THR 40 HA THR 40 10.276 10.097 -14.524 302 HB THR 40 HB THR 40 9.045 10.509 -16.519 303 HG1 THR 40 HG1 THR 40 11.380 9.948 -18.047 304 HG21 THR 40 HG21 THR 40 10.225 12.426 -17.502 305 HG22 THR 40 HG22 THR 40 11.723 11.889 -16.743 306 HG23 THR 40 HG23 THR 40 10.367 12.411 -15.745 307 H LEU 41 H LEU 41 8.455 8.722 -16.045 308 HA LEU 41 HA LEU 41 9.332 5.942 -15.653 309 HB2 LEU 41 HB2 LEU 41 6.557 7.121 -15.672 310 HB3 LEU 41 HB3 LEU 41 6.933 5.413 -15.456 311 HG LEU 41 HG LEU 41 7.623 7.662 -13.567 312 HD11 LEU 41 HD11 LEU 41 6.152 5.714 -12.261 313 HD12 LEU 41 HD12 LEU 41 5.362 5.874 -13.829 314 HD13 LEU 41 HD13 LEU 41 5.571 7.290 -12.798 315 HD21 LEU 41 HD21 LEU 41 9.385 6.263 -13.183 316 HD22 LEU 41 HD22 LEU 41 8.515 4.831 -13.735 317 HD23 LEU 41 HD23 LEU 41 8.179 5.508 -12.141 318 H ASN 42 H ASN 42 7.850 4.401 -17.056 319 HA ASN 42 HA ASN 42 8.022 5.385 -19.828 320 HB2 ASN 42 HB2 ASN 42 8.438 2.618 -18.690 321 HB3 ASN 42 HB3 ASN 42 8.254 2.927 -20.414 322 HD21 ASN 42 HD21 ASN 42 10.203 3.723 -17.591 323 HD22 ASN 42 HD22 ASN 42 11.664 4.029 -18.461 324 H GLU 43 H GLU 43 6.195 5.506 -20.952 325 HA GLU 43 HA GLU 43 3.684 4.930 -19.830 326 HB2 GLU 43 HB2 GLU 43 3.816 6.615 -21.509 327 HB3 GLU 43 HB3 GLU 43 4.545 5.506 -22.661 328 HG2 GLU 43 HG2 GLU 43 2.445 4.232 -22.734 329 HG3 GLU 43 HG3 GLU 43 1.720 5.400 -21.631 330 H GLY 44 H GLY 44 2.696 3.047 -19.562 331 HA2 GLY 44 HA2 GLY 44 1.772 1.008 -20.281 332 HA3 GLY 44 HA3 GLY 44 2.908 0.992 -21.623 333 H GLU 45 H GLU 45 4.566 1.755 -18.845 334 HA GLU 45 HA GLU 45 5.559 -0.992 -18.635 335 HB2 GLU 45 HB2 GLU 45 7.214 0.763 -19.085 336 HB3 GLU 45 HB3 GLU 45 6.736 1.599 -17.614 337 HG2 GLU 45 HG2 GLU 45 7.576 -0.170 -16.251 338 HG3 GLU 45 HG3 GLU 45 7.868 -1.186 -17.662 339 H HIS 46 H HIS 46 6.060 -1.870 -16.514 340 HA HIS 46 HA HIS 46 3.926 -1.303 -14.631 341 HB2 HIS 46 HB2 HIS 46 6.080 -3.377 -14.275 342 HB3 HIS 46 HB3 HIS 46 4.448 -3.370 -13.614 343 HD1 HIS 46 HD1 HIS 46 2.694 -4.569 -14.930 344 HD2 HIS 46 HD2 HIS 46 6.150 -3.903 -17.137 345 HE1 HIS 46 HE1 HIS 46 2.371 -5.831 -17.081 346 H VAL 47 H VAL 47 4.159 -0.489 -12.598 347 HA VAL 47 HA VAL 47 6.755 -0.100 -11.408 348 HB VAL 47 HB VAL 47 6.329 2.412 -11.144 349 HG11 VAL 47 HG11 VAL 47 7.860 2.786 -12.762 350 HG12 VAL 47 HG12 VAL 47 7.899 1.023 -12.826 351 HG13 VAL 47 HG13 VAL 47 6.932 1.928 -13.991 352 HG21 VAL 47 HG21 VAL 47 4.801 3.499 -12.421 353 HG22 VAL 47 HG22 VAL 47 4.922 2.343 -13.748 354 HG23 VAL 47 HG23 VAL 47 3.973 1.945 -12.316 355 H GLU 48 H GLU 48 6.640 0.143 -9.221 356 HA GLU 48 HA GLU 48 3.964 -0.029 -8.051 357 HB2 GLU 48 HB2 GLU 48 5.333 -1.786 -7.284 358 HB3 GLU 48 HB3 GLU 48 6.714 -0.724 -7.051 359 HG2 GLU 48 HG2 GLU 48 5.685 0.294 -5.141 360 HG3 GLU 48 HG3 GLU 48 4.187 -0.590 -5.425 361 H PHE 49 H PHE 49 3.064 1.638 -7.045 362 HA PHE 49 HA PHE 49 4.804 3.848 -6.166 363 HB2 PHE 49 HB2 PHE 49 2.824 5.332 -6.575 364 HB3 PHE 49 HB3 PHE 49 3.489 4.600 -8.032 365 HD1 PHE 49 HD1 PHE 49 2.315 2.664 -9.074 366 HD2 PHE 49 HD2 PHE 49 0.600 4.938 -5.910 367 HE1 PHE 49 HE1 PHE 49 0.093 1.772 -9.642 368 HE2 PHE 49 HE2 PHE 49 -1.624 4.049 -6.473 369 HZ PHE 49 HZ PHE 49 -1.880 2.464 -8.340 370 H GLU 50 H GLU 50 4.359 4.842 -4.204 371 HA GLU 50 HA GLU 50 2.595 3.301 -2.428 372 HB2 GLU 50 HB2 GLU 50 5.051 4.963 -1.891 373 HB3 GLU 50 HB3 GLU 50 3.967 4.451 -0.604 374 HG2 GLU 50 HG2 GLU 50 4.342 2.085 -1.413 375 HG3 GLU 50 HG3 GLU 50 5.646 2.735 -2.405 376 H VAL 51 H VAL 51 0.641 4.289 -2.606 377 HA VAL 51 HA VAL 51 0.217 7.057 -2.867 378 HB VAL 51 HB VAL 51 -2.111 6.613 -2.303 379 HG11 VAL 51 HG11 VAL 51 -1.756 4.204 -3.851 380 HG12 VAL 51 HG12 VAL 51 -2.421 5.765 -4.336 381 HG13 VAL 51 HG13 VAL 51 -0.681 5.485 -4.412 382 HG21 VAL 51 HG21 VAL 51 -2.741 4.215 -1.762 383 HG22 VAL 51 HG22 VAL 51 -1.039 3.960 -1.375 384 HG23 VAL 51 HG23 VAL 51 -1.983 5.139 -0.464 385 H GLU 52 H GLU 52 0.360 8.655 -1.441 386 HA GLU 52 HA GLU 52 0.330 7.976 1.427 387 HB2 GLU 52 HB2 GLU 52 2.055 9.797 -0.170 388 HB3 GLU 52 HB3 GLU 52 1.617 10.320 1.450 389 HG2 GLU 52 HG2 GLU 52 3.071 7.804 0.679 390 HG3 GLU 52 HG3 GLU 52 3.718 9.193 1.551 391 HA PRO 53 HA PRO 53 -3.008 10.735 2.117 392 HB2 PRO 53 HB2 PRO 53 -2.334 11.897 4.477 393 HB3 PRO 53 HB3 PRO 53 -2.856 10.213 4.349 394 HG2 PRO 53 HG2 PRO 53 -0.085 11.326 4.556 395 HG3 PRO 53 HG3 PRO 53 -0.790 9.920 5.375 396 HD2 PRO 53 HD2 PRO 53 0.805 9.691 3.198 397 HD3 PRO 53 HD3 PRO 53 -0.518 8.556 3.537 398 H GLY 54 H GLY 54 -0.779 12.799 3.826 399 HA2 GLY 54 HA2 GLY 54 -1.545 15.058 2.224 400 HA3 GLY 54 HA3 GLY 54 -0.425 15.070 3.578 401 H ARG 55 H ARG 55 -0.506 13.563 0.344 402 HA ARG 55 HA ARG 55 2.111 14.795 -0.189 403 HB2 ARG 55 HB2 ARG 55 1.462 11.967 -0.018 404 HB3 ARG 55 HB3 ARG 55 2.128 12.387 -1.590 405 HG2 ARG 55 HG2 ARG 55 3.817 11.651 0.073 406 HG3 ARG 55 HG3 ARG 55 4.116 13.257 -0.596 407 HD2 ARG 55 HD2 ARG 55 3.479 14.328 1.372 408 HD3 ARG 55 HD3 ARG 55 2.597 12.920 1.963 409 HE ARG 55 HE ARG 55 5.412 12.453 1.684 410 HH11 ARG 55 HH11 ARG 55 2.933 13.733 3.766 411 HH12 ARG 55 HH12 ARG 55 3.849 13.498 5.218 412 HH21 ARG 55 HH21 ARG 55 6.627 12.138 3.588 413 HH22 ARG 55 HH22 ARG 55 5.950 12.592 5.116 414 H GLY 56 H GLY 56 -0.790 13.276 -1.537 415 HA2 GLY 56 HA2 GLY 56 -0.217 14.488 -4.145 416 HA3 GLY 56 HA3 GLY 56 -1.439 13.267 -3.821 417 H GLY 57 H GLY 57 -1.366 16.118 -5.021 418 HA2 GLY 57 HA2 GLY 57 -2.746 17.944 -3.505 419 HA3 GLY 57 HA3 GLY 57 -2.950 17.772 -5.242 420 H LYS 58 H LYS 58 -4.030 15.094 -5.118 421 HA LYS 58 HA LYS 58 -6.750 15.805 -4.328 422 HB2 LYS 58 HB2 LYS 58 -5.560 13.727 -6.134 423 HB3 LYS 58 HB3 LYS 58 -7.200 13.529 -5.528 424 HG2 LYS 58 HG2 LYS 58 -6.527 16.142 -6.740 425 HG3 LYS 58 HG3 LYS 58 -6.641 14.753 -7.824 426 HD2 LYS 58 HD2 LYS 58 -8.836 15.239 -7.853 427 HD3 LYS 58 HD3 LYS 58 -8.863 14.420 -6.289 428 HE2 LYS 58 HE2 LYS 58 -9.062 16.365 -5.121 429 HE3 LYS 58 HE3 LYS 58 -8.155 17.299 -6.310 430 HZ1 LYS 58 HZ1 LYS 58 -10.040 17.964 -7.227 431 HZ2 LYS 58 HZ2 LYS 58 -10.905 17.177 -6.005 432 HZ3 LYS 58 HZ3 LYS 58 -10.563 16.371 -7.453 433 H GLY 59 H GLY 59 -4.125 13.792 -3.354 434 HA2 GLY 59 HA2 GLY 59 -4.738 13.207 -0.853 435 HA3 GLY 59 HA3 GLY 59 -5.837 12.114 -1.681 436 HA PRO 60 HA PRO 60 -2.639 9.106 -1.716 437 HB2 PRO 60 HB2 PRO 60 -3.483 7.572 -3.791 438 HB3 PRO 60 HB3 PRO 60 -4.280 7.576 -2.214 439 HG2 PRO 60 HG2 PRO 60 -5.043 9.015 -4.725 440 HG3 PRO 60 HG3 PRO 60 -6.076 8.144 -3.577 441 HD2 PRO 60 HD2 PRO 60 -5.851 10.843 -3.578 442 HD3 PRO 60 HD3 PRO 60 -6.130 9.908 -2.094 443 H GLN 61 H GLN 61 -0.652 9.684 -2.352 444 HA GLN 61 HA GLN 61 -0.205 10.191 -5.220 445 HB2 GLN 61 HB2 GLN 61 0.339 12.245 -4.372 446 HB3 GLN 61 HB3 GLN 61 0.784 11.599 -2.798 447 HG2 GLN 61 HG2 GLN 61 2.891 10.822 -3.657 448 HG3 GLN 61 HG3 GLN 61 2.441 11.303 -5.292 449 HE21 GLN 61 HE21 GLN 61 4.244 12.157 -2.723 450 HE22 GLN 61 HE22 GLN 61 4.331 13.865 -2.965 451 H ALA 62 H ALA 62 1.902 9.571 -6.046 452 HA ALA 62 HA ALA 62 2.694 6.991 -5.059 453 HB1 ALA 62 HB1 ALA 62 2.673 7.145 -7.390 454 HB2 ALA 62 HB2 ALA 62 3.542 8.681 -7.389 455 HB3 ALA 62 HB3 ALA 62 4.385 7.189 -6.971 456 H LYS 63 H LYS 63 3.236 8.394 -2.957 457 HA LYS 63 HA LYS 63 5.470 9.914 -2.633 458 HB2 LYS 63 HB2 LYS 63 4.070 9.445 -0.751 459 HB3 LYS 63 HB3 LYS 63 4.399 7.720 -0.858 460 HG2 LYS 63 HG2 LYS 63 5.831 8.177 0.812 461 HG3 LYS 63 HG3 LYS 63 6.898 8.639 -0.516 462 HD2 LYS 63 HD2 LYS 63 5.108 10.514 1.030 463 HD3 LYS 63 HD3 LYS 63 6.849 10.336 1.261 464 HE2 LYS 63 HE2 LYS 63 5.437 11.306 -1.221 465 HE3 LYS 63 HE3 LYS 63 6.411 12.271 -0.112 466 HZ1 LYS 63 HZ1 LYS 63 7.245 10.638 -2.298 467 HZ2 LYS 63 HZ2 LYS 63 8.057 10.226 -0.873 468 HZ3 LYS 63 HZ3 LYS 63 8.109 11.817 -1.447 469 H LYS 64 H LYS 64 5.340 6.412 -3.031 470 HA LYS 64 HA LYS 64 8.249 6.432 -3.466 471 HB2 LYS 64 HB2 LYS 64 6.980 5.203 -1.315 472 HB3 LYS 64 HB3 LYS 64 7.266 3.890 -2.450 473 HG2 LYS 64 HG2 LYS 64 9.545 5.695 -2.014 474 HG3 LYS 64 HG3 LYS 64 9.054 4.732 -0.619 475 HD2 LYS 64 HD2 LYS 64 9.516 3.537 -3.342 476 HD3 LYS 64 HD3 LYS 64 10.799 3.701 -2.142 477 HE2 LYS 64 HE2 LYS 64 8.199 2.317 -1.541 478 HE3 LYS 64 HE3 LYS 64 9.576 1.468 -2.241 479 HZ1 LYS 64 HZ1 LYS 64 10.839 2.496 -0.253 480 HZ2 LYS 64 HZ2 LYS 64 9.873 1.130 -0.001 481 HZ3 LYS 64 HZ3 LYS 64 9.301 2.662 0.434 482 H VAL 65 H VAL 65 8.380 6.175 -5.615 483 HA VAL 65 HA VAL 65 6.716 4.103 -6.881 484 HB VAL 65 HB VAL 65 7.565 6.748 -7.734 485 HG11 VAL 65 HG11 VAL 65 9.242 5.623 -9.023 486 HG12 VAL 65 HG12 VAL 65 8.074 4.426 -9.587 487 HG13 VAL 65 HG13 VAL 65 7.941 6.105 -10.112 488 HG21 VAL 65 HG21 VAL 65 5.245 5.533 -7.628 489 HG22 VAL 65 HG22 VAL 65 5.579 6.716 -8.892 490 HG23 VAL 65 HG23 VAL 65 5.689 4.992 -9.247 491 H ARG 66 H ARG 66 7.633 2.475 -8.066 492 HA ARG 66 HA ARG 66 10.569 2.390 -8.203 493 HB2 ARG 66 HB2 ARG 66 8.690 0.358 -7.064 494 HB3 ARG 66 HB3 ARG 66 10.177 -0.180 -7.833 495 HG2 ARG 66 HG2 ARG 66 11.358 1.474 -6.277 496 HG3 ARG 66 HG3 ARG 66 9.838 1.504 -5.381 497 HD2 ARG 66 HD2 ARG 66 10.880 -0.191 -4.273 498 HD3 ARG 66 HD3 ARG 66 10.112 -1.124 -5.557 499 HE ARG 66 HE ARG 66 12.189 -1.658 -6.327 500 HH11 ARG 66 HH11 ARG 66 12.438 1.207 -4.365 501 HH12 ARG 66 HH12 ARG 66 14.167 1.273 -4.449 502 HH21 ARG 66 HH21 ARG 66 14.466 -1.582 -6.445 503 HH22 ARG 66 HH22 ARG 66 15.319 -0.314 -5.633 504 H ARG 67 H ARG 67 11.437 1.464 -10.022 505 HA ARG 67 HA ARG 67 9.703 1.270 -12.302 506 HB2 ARG 67 HB2 ARG 67 11.735 0.948 -13.586 507 HB3 ARG 67 HB3 ARG 67 11.960 2.265 -12.442 508 HG2 ARG 67 HG2 ARG 67 12.990 0.436 -10.922 509 HG3 ARG 67 HG3 ARG 67 13.144 -0.475 -12.425 510 HD2 ARG 67 HD2 ARG 67 14.047 2.226 -12.802 511 HD3 ARG 67 HD3 ARG 67 14.872 1.496 -11.425 512 HE ARG 67 HE ARG 67 15.964 0.078 -12.864 513 HH11 ARG 67 HH11 ARG 67 13.359 1.665 -14.542 514 HH12 ARG 67 HH12 ARG 67 13.850 1.102 -16.106 515 HH21 ARG 67 HH21 ARG 67 16.620 -0.670 -14.916 516 HH22 ARG 67 HH22 ARG 67 15.704 -0.227 -16.317 517 H ILE 68 H ILE 68 8.978 -0.511 -13.326 518 HA ILE 68 HA ILE 68 10.045 -3.130 -12.561 519 HB ILE 68 HB ILE 68 7.074 -2.662 -12.701 520 HG12 ILE 68 HG12 ILE 68 8.175 -1.353 -10.838 521 HG13 ILE 68 HG13 ILE 68 6.976 -2.531 -10.319 522 HG21 ILE 68 HG21 ILE 68 7.039 -4.820 -11.457 523 HG22 ILE 68 HG22 ILE 68 7.717 -4.936 -13.080 524 HG23 ILE 68 HG23 ILE 68 8.785 -4.920 -11.678 525 HD11 ILE 68 HD11 ILE 68 8.530 -3.883 -9.341 526 HD12 ILE 68 HD12 ILE 68 9.828 -3.353 -10.411 527 HD13 ILE 68 HD13 ILE 68 9.282 -2.306 -9.101 Start of MODEL 14 1 H1 MET 1 H MET 1 0.154 1.671 -0.986 2 HA MET 1 HA MET 1 2.727 0.502 -1.824 3 HB2 MET 1 HB2 MET 1 0.739 -0.697 0.112 4 HB3 MET 1 HB3 MET 1 2.297 -1.375 -0.340 5 HG2 MET 1 HG2 MET 1 3.452 0.445 0.727 6 HG3 MET 1 HG3 MET 1 1.925 1.252 1.076 7 HE1 MET 1 HE1 MET 1 3.921 -2.319 2.280 8 HE2 MET 1 HE2 MET 1 4.624 -0.721 2.028 9 HE3 MET 1 HE3 MET 1 4.278 -1.286 3.664 10 H LYS 2 H LYS 2 1.323 0.964 -3.910 11 HA LYS 2 HA LYS 2 -0.033 -1.568 -4.556 12 HB2 LYS 2 HB2 LYS 2 -0.827 1.224 -5.394 13 HB3 LYS 2 HB3 LYS 2 -1.479 -0.236 -6.126 14 HG2 LYS 2 HG2 LYS 2 -1.745 0.581 -3.240 15 HG3 LYS 2 HG3 LYS 2 -3.008 0.644 -4.471 16 HD2 LYS 2 HD2 LYS 2 -2.772 -1.826 -4.736 17 HD3 LYS 2 HD3 LYS 2 -1.660 -1.817 -3.365 18 HE2 LYS 2 HE2 LYS 2 -3.554 -2.232 -2.203 19 HE3 LYS 2 HE3 LYS 2 -3.717 -0.478 -2.282 20 HZ1 LYS 2 HZ1 LYS 2 -4.869 -2.207 -4.379 21 HZ2 LYS 2 HZ2 LYS 2 -5.289 -0.623 -3.964 22 HZ3 LYS 2 HZ3 LYS 2 -5.711 -1.904 -2.943 23 H LYS 3 H LYS 3 0.117 -2.236 -6.770 24 HA LYS 3 HA LYS 3 2.309 -0.962 -8.267 25 HB2 LYS 3 HB2 LYS 3 1.841 -3.940 -8.207 26 HB3 LYS 3 HB3 LYS 3 3.233 -3.076 -8.848 27 HG2 LYS 3 HG2 LYS 3 3.594 -2.283 -6.431 28 HG3 LYS 3 HG3 LYS 3 2.488 -3.587 -5.994 29 HD2 LYS 3 HD2 LYS 3 4.134 -4.940 -7.617 30 HD3 LYS 3 HD3 LYS 3 5.256 -3.706 -7.039 31 HE2 LYS 3 HE2 LYS 3 4.719 -4.306 -4.728 32 HE3 LYS 3 HE3 LYS 3 3.595 -5.535 -5.306 33 HZ1 LYS 3 HZ1 LYS 3 6.051 -6.129 -4.661 34 HZ2 LYS 3 HZ2 LYS 3 6.364 -5.645 -6.251 35 HZ3 LYS 3 HZ3 LYS 3 5.276 -6.905 -5.949 36 H GLY 4 H GLY 4 1.943 -0.612 -10.385 37 HA2 GLY 4 HA2 GLY 4 0.121 -2.163 -11.943 38 HA3 GLY 4 HA3 GLY 4 -0.587 -0.623 -11.479 39 H THR 5 H THR 5 -0.353 -1.055 -14.095 40 HA THR 5 HA THR 5 2.159 -0.009 -15.089 41 HB THR 5 HB THR 5 1.107 -0.197 -17.324 42 HG1 THR 5 HG1 THR 5 -1.071 0.166 -16.666 43 HG21 THR 5 HG21 THR 5 2.283 -2.118 -16.268 44 HG22 THR 5 HG22 THR 5 1.024 -2.608 -17.402 45 HG23 THR 5 HG23 THR 5 0.728 -2.691 -15.666 46 H VAL 6 H VAL 6 2.466 1.974 -16.077 47 HA VAL 6 HA VAL 6 0.673 4.075 -15.204 48 HB VAL 6 HB VAL 6 3.342 4.036 -15.364 49 HG11 VAL 6 HG11 VAL 6 3.266 3.826 -17.842 50 HG12 VAL 6 HG12 VAL 6 2.530 5.429 -17.912 51 HG13 VAL 6 HG13 VAL 6 4.163 5.233 -17.273 52 HG21 VAL 6 HG21 VAL 6 2.277 6.691 -16.020 53 HG22 VAL 6 HG22 VAL 6 1.445 5.866 -14.702 54 HG23 VAL 6 HG23 VAL 6 3.183 6.147 -14.607 55 H LYS 7 H LYS 7 -0.383 5.548 -16.543 56 HA LYS 7 HA LYS 7 -0.945 4.533 -19.235 57 HB2 LYS 7 HB2 LYS 7 -2.779 5.003 -17.495 58 HB3 LYS 7 HB3 LYS 7 -2.471 6.705 -17.814 59 HG2 LYS 7 HG2 LYS 7 -4.221 6.268 -19.234 60 HG3 LYS 7 HG3 LYS 7 -2.834 6.031 -20.299 61 HD2 LYS 7 HD2 LYS 7 -3.862 3.686 -18.783 62 HD3 LYS 7 HD3 LYS 7 -4.800 4.265 -20.162 63 HE2 LYS 7 HE2 LYS 7 -2.384 4.248 -21.288 64 HE3 LYS 7 HE3 LYS 7 -2.120 2.998 -20.073 65 HZ1 LYS 7 HZ1 LYS 7 -3.023 1.651 -21.587 66 HZ2 LYS 7 HZ2 LYS 7 -3.708 2.917 -22.474 67 HZ3 LYS 7 HZ3 LYS 7 -4.509 2.308 -21.114 68 H TRP 8 H TRP 8 0.261 7.326 -17.510 69 HA TRP 8 HA TRP 8 1.666 8.315 -19.741 70 HB2 TRP 8 HB2 TRP 8 0.438 10.251 -20.357 71 HB3 TRP 8 HB3 TRP 8 -0.722 8.926 -20.360 72 HD1 TRP 8 HD1 TRP 8 0.321 11.932 -18.169 73 HE1 TRP 8 HE1 TRP 8 -1.716 12.644 -16.766 74 HE3 TRP 8 HE3 TRP 8 -2.916 8.201 -19.487 75 HZ2 TRP 8 HZ2 TRP 8 -4.347 11.742 -16.281 76 HZ3 TRP 8 HZ3 TRP 8 -5.174 8.198 -18.508 77 HH2 TRP 8 HH2 TRP 8 -5.872 9.933 -16.938 78 H PHE 9 H PHE 9 3.164 9.832 -19.144 79 HA PHE 9 HA PHE 9 2.901 11.102 -16.522 80 HB2 PHE 9 HB2 PHE 9 4.146 9.059 -16.075 81 HB3 PHE 9 HB3 PHE 9 5.274 9.431 -17.375 82 HD1 PHE 9 HD1 PHE 9 4.221 10.267 -13.973 83 HD2 PHE 9 HD2 PHE 9 6.998 11.086 -17.093 84 HE1 PHE 9 HE1 PHE 9 5.650 11.478 -12.378 85 HE2 PHE 9 HE2 PHE 9 8.432 12.298 -15.503 86 HZ PHE 9 HZ PHE 9 7.758 12.496 -13.142 87 H ASN 10 H ASN 10 2.799 13.148 -17.306 88 HA ASN 10 HA ASN 10 4.325 14.134 -19.466 89 HB2 ASN 10 HB2 ASN 10 2.229 15.185 -18.698 90 HB3 ASN 10 HB3 ASN 10 3.027 15.673 -17.206 91 HD21 ASN 10 HD21 ASN 10 2.011 17.702 -18.327 92 HD22 ASN 10 HD22 ASN 10 3.133 18.638 -19.250 93 H ALA 11 H ALA 11 6.426 14.533 -19.543 94 HA ALA 11 HA ALA 11 7.952 14.785 -17.077 95 HB1 ALA 11 HB1 ALA 11 9.738 15.019 -19.171 96 HB2 ALA 11 HB2 ALA 11 9.343 13.540 -18.294 97 HB3 ALA 11 HB3 ALA 11 8.501 13.926 -19.795 98 H GLU 12 H GLU 12 6.749 16.758 -19.647 99 HA GLU 12 HA GLU 12 8.560 18.903 -19.507 100 HB2 GLU 12 HB2 GLU 12 7.037 18.738 -21.360 101 HB3 GLU 12 HB3 GLU 12 5.645 18.813 -20.289 102 HG2 GLU 12 HG2 GLU 12 6.205 20.913 -21.572 103 HG3 GLU 12 HG3 GLU 12 5.975 21.087 -19.833 104 H LYS 13 H LYS 13 5.651 18.152 -17.665 105 HA LYS 13 HA LYS 13 5.985 20.594 -16.084 106 HB2 LYS 13 HB2 LYS 13 3.758 18.569 -16.276 107 HB3 LYS 13 HB3 LYS 13 3.791 19.826 -15.047 108 HG2 LYS 13 HG2 LYS 13 4.144 20.711 -17.842 109 HG3 LYS 13 HG3 LYS 13 2.550 20.098 -17.397 110 HD2 LYS 13 HD2 LYS 13 2.147 21.812 -15.937 111 HD3 LYS 13 HD3 LYS 13 3.858 22.043 -15.567 112 HE2 LYS 13 HE2 LYS 13 3.062 23.939 -16.815 113 HE3 LYS 13 HE3 LYS 13 4.168 23.010 -17.827 114 HZ1 LYS 13 HZ1 LYS 13 1.217 23.145 -17.996 115 HZ2 LYS 13 HZ2 LYS 13 2.102 21.919 -18.753 116 HZ3 LYS 13 HZ3 LYS 13 2.353 23.534 -19.187 117 H GLY 14 H GLY 14 6.000 17.079 -15.788 118 HA2 GLY 14 HA2 GLY 14 7.469 15.980 -14.255 119 HA3 GLY 14 HA3 GLY 14 7.378 17.390 -13.209 120 H TYR 15 H TYR 15 4.782 15.504 -14.728 121 HA TYR 15 HA TYR 15 4.005 14.380 -12.172 122 HB2 TYR 15 HB2 TYR 15 1.856 15.374 -12.038 123 HB3 TYR 15 HB3 TYR 15 2.979 16.700 -12.319 124 HD1 TYR 15 HD1 TYR 15 0.323 14.641 -13.805 125 HD2 TYR 15 HD2 TYR 15 2.929 17.956 -14.377 126 HE1 TYR 15 HE1 TYR 15 -1.002 15.339 -15.756 127 HE2 TYR 15 HE2 TYR 15 1.611 18.663 -16.329 128 HH TYR 15 HH TYR 15 -0.723 16.669 -17.791 129 H GLY 16 H GLY 16 1.991 12.996 -12.438 130 HA2 GLY 16 HA2 GLY 16 1.154 12.166 -15.014 131 HA3 GLY 16 HA3 GLY 16 2.403 11.083 -14.417 132 H PHE 17 H PHE 17 0.257 9.764 -14.839 133 HA PHE 17 HA PHE 17 -0.890 9.315 -12.185 134 HB2 PHE 17 HB2 PHE 17 -2.403 9.981 -14.676 135 HB3 PHE 17 HB3 PHE 17 -3.113 8.848 -13.531 136 HD1 PHE 17 HD2 PHE 17 -1.572 12.233 -13.681 137 HD2 PHE 17 HD1 PHE 17 -4.365 9.651 -11.770 138 HE1 PHE 17 HE2 PHE 17 -2.384 14.120 -12.326 139 HE2 PHE 17 HE1 PHE 17 -5.182 11.534 -10.413 140 HZ PHE 17 HZ PHE 17 -4.191 13.772 -10.689 141 H ILE 18 H ILE 18 -0.803 7.237 -11.649 142 HA ILE 18 HA ILE 18 -0.229 5.275 -13.747 143 HB ILE 18 HB ILE 18 -0.006 4.973 -10.750 144 HG12 ILE 18 HG12 ILE 18 2.324 5.129 -12.629 145 HG13 ILE 18 HG13 ILE 18 1.559 6.612 -12.069 146 HG21 ILE 18 HG21 ILE 18 1.394 2.985 -11.396 147 HG22 ILE 18 HG22 ILE 18 -0.331 2.833 -11.722 148 HG23 ILE 18 HG23 ILE 18 0.787 3.187 -13.039 149 HD11 ILE 18 HD11 ILE 18 3.058 4.556 -10.509 150 HD12 ILE 18 HD12 ILE 18 3.279 6.305 -10.563 151 HD13 ILE 18 HD13 ILE 18 1.895 5.617 -9.714 152 H GLN 19 H GLN 19 -1.341 3.286 -13.862 153 HA GLN 19 HA GLN 19 -3.977 3.284 -12.546 154 HB2 GLN 19 HB2 GLN 19 -3.491 2.029 -15.231 155 HB3 GLN 19 HB3 GLN 19 -5.017 2.509 -14.500 156 HG2 GLN 19 HG2 GLN 19 -2.897 4.275 -15.683 157 HG3 GLN 19 HG3 GLN 19 -4.559 4.052 -16.228 158 HE21 GLN 19 HE21 GLN 19 -2.718 6.288 -15.005 159 HE22 GLN 19 HE22 GLN 19 -3.800 7.094 -13.926 160 H GLN 20 H GLN 20 -4.391 1.568 -11.323 161 HA GLN 20 HA GLN 20 -2.549 -0.689 -11.395 162 HB2 GLN 20 HB2 GLN 20 -3.680 0.663 -9.315 163 HB3 GLN 20 HB3 GLN 20 -4.755 -0.722 -9.444 164 HG2 GLN 20 HG2 GLN 20 -2.542 -2.089 -9.487 165 HG3 GLN 20 HG3 GLN 20 -1.854 -0.634 -8.769 166 HE21 GLN 20 HE21 GLN 20 -3.890 0.214 -7.164 167 HE22 GLN 20 HE22 GLN 20 -4.175 -0.945 -5.915 168 H GLU 21 H GLU 21 -4.147 -2.711 -10.403 169 HA GLU 21 HA GLU 21 -5.112 -3.969 -12.628 170 HB2 GLU 21 HB2 GLU 21 -6.438 -5.400 -11.087 171 HB3 GLU 21 HB3 GLU 21 -4.772 -5.177 -10.572 172 HG2 GLU 21 HG2 GLU 21 -5.906 -3.173 -9.220 173 HG3 GLU 21 HG3 GLU 21 -7.285 -4.266 -9.322 174 H GLU 22 H GLU 22 -6.783 -1.676 -10.569 175 HA GLU 22 HA GLU 22 -9.193 -1.943 -12.230 176 HB2 GLU 22 HB2 GLU 22 -8.997 -0.407 -9.647 177 HB3 GLU 22 HB3 GLU 22 -10.443 -0.994 -10.457 178 HG2 GLU 22 HG2 GLU 22 -9.198 -3.326 -10.034 179 HG3 GLU 22 HG3 GLU 22 -8.561 -2.399 -8.677 180 H GLY 23 H GLY 23 -6.544 0.110 -11.516 181 HA2 GLY 23 HA2 GLY 23 -5.908 2.142 -12.373 182 HA3 GLY 23 HA3 GLY 23 -7.134 1.901 -13.609 183 HA PRO 24 HA PRO 24 -9.420 4.120 -9.979 184 HB2 PRO 24 HB2 PRO 24 -7.911 4.905 -7.863 185 HB3 PRO 24 HB3 PRO 24 -8.699 3.325 -7.948 186 HG2 PRO 24 HG2 PRO 24 -5.853 4.055 -8.524 187 HG3 PRO 24 HG3 PRO 24 -6.493 2.661 -7.634 188 HD2 PRO 24 HD2 PRO 24 -5.665 2.492 -10.206 189 HD3 PRO 24 HD3 PRO 24 -6.987 1.498 -9.561 190 H ASP 25 H ASP 25 -6.512 5.681 -8.882 191 HA ASP 25 HA ASP 25 -5.999 7.536 -10.843 192 HB2 ASP 25 HB2 ASP 25 -7.281 9.531 -9.739 193 HB3 ASP 25 HB3 ASP 25 -8.115 8.486 -10.886 194 H VAL 26 H VAL 26 -3.950 7.402 -10.005 195 HA VAL 26 HA VAL 26 -3.550 8.482 -7.293 196 HB VAL 26 HB VAL 26 -2.584 6.123 -8.371 197 HG11 VAL 26 HG11 VAL 26 -0.292 8.075 -8.227 198 HG12 VAL 26 HG12 VAL 26 -0.213 6.360 -8.632 199 HG13 VAL 26 HG13 VAL 26 -1.005 7.491 -9.730 200 HG21 VAL 26 HG21 VAL 26 -2.872 6.839 -5.977 201 HG22 VAL 26 HG22 VAL 26 -1.423 5.890 -6.309 202 HG23 VAL 26 HG23 VAL 26 -1.305 7.638 -6.104 203 H PHE 27 H PHE 27 -2.116 10.141 -6.949 204 HA PHE 27 HA PHE 27 -1.311 11.618 -9.346 205 HB2 PHE 27 HB2 PHE 27 -2.630 12.528 -7.198 206 HB3 PHE 27 HB3 PHE 27 -0.982 12.803 -6.641 207 HD1 PHE 27 HD1 PHE 27 0.399 13.582 -9.083 208 HD2 PHE 27 HD2 PHE 27 -3.496 14.605 -7.704 209 HE1 PHE 27 HE1 PHE 27 0.490 15.668 -10.384 210 HE2 PHE 27 HE2 PHE 27 -3.411 16.693 -9.004 211 HZ PHE 27 HZ PHE 27 -1.416 17.227 -10.345 212 H VAL 28 H VAL 28 0.702 11.386 -10.033 213 HA VAL 28 HA VAL 28 2.830 10.941 -8.040 214 HB VAL 28 HB VAL 28 3.926 9.425 -9.397 215 HG11 VAL 28 HG11 VAL 28 1.323 8.908 -8.799 216 HG12 VAL 28 HG12 VAL 28 1.357 8.587 -10.534 217 HG13 VAL 28 HG13 VAL 28 2.458 7.728 -9.456 218 HG21 VAL 28 HG21 VAL 28 4.088 10.690 -11.410 219 HG22 VAL 28 HG22 VAL 28 3.382 9.129 -11.828 220 HG23 VAL 28 HG23 VAL 28 2.354 10.556 -11.705 221 H HIS 29 H HIS 29 4.720 12.082 -8.258 222 HA HIS 29 HA HIS 29 4.805 14.082 -10.421 223 HB2 HIS 29 HB2 HIS 29 5.066 14.402 -7.488 224 HB3 HIS 29 HB3 HIS 29 6.206 15.318 -8.470 225 HD1 HIS 29 HD1 HIS 29 5.365 17.623 -8.695 226 HD2 HIS 29 HD2 HIS 29 2.286 14.841 -8.886 227 HE1 HIS 29 HE1 HIS 29 3.277 18.960 -9.110 228 H PHE 30 H PHE 30 6.975 14.871 -10.943 229 HA PHE 30 HA PHE 30 8.767 12.809 -11.476 230 HB2 PHE 30 HB2 PHE 30 10.235 14.460 -12.322 231 HB3 PHE 30 HB3 PHE 30 8.617 15.102 -12.585 232 HD1 PHE 30 HD2 PHE 30 7.706 16.679 -10.731 233 HD2 PHE 30 HD1 PHE 30 11.826 15.771 -11.292 234 HE1 PHE 30 HE2 PHE 30 8.319 18.727 -9.514 235 HE2 PHE 30 HE1 PHE 30 12.446 17.817 -10.075 236 HZ PHE 30 HZ PHE 30 10.692 19.298 -9.183 237 H THR 31 H THR 31 8.314 14.656 -8.620 238 HA THR 31 HA THR 31 10.932 13.932 -7.544 239 HB THR 31 HB THR 31 10.084 16.230 -7.164 240 HG1 THR 31 HG1 THR 31 11.477 15.718 -5.594 241 HG21 THR 31 HG21 THR 31 7.699 14.873 -6.491 242 HG22 THR 31 HG22 THR 31 7.995 16.611 -6.494 243 HG23 THR 31 HG23 THR 31 8.268 15.672 -5.026 244 H ALA 32 H ALA 32 8.574 12.063 -8.057 245 HA ALA 32 HA ALA 32 8.412 10.951 -5.330 246 HB1 ALA 32 HB1 ALA 32 6.324 11.636 -7.104 247 HB2 ALA 32 HB2 ALA 32 6.365 9.875 -6.996 248 HB3 ALA 32 HB3 ALA 32 6.207 10.846 -5.532 249 H ILE 33 H ILE 33 9.208 10.400 -8.646 250 HA ILE 33 HA ILE 33 9.222 7.556 -8.579 251 HB ILE 33 HB ILE 33 10.636 9.493 -10.411 252 HG12 ILE 33 HG12 ILE 33 8.828 8.390 -11.980 253 HG13 ILE 33 HG13 ILE 33 8.014 8.052 -10.457 254 HG21 ILE 33 HG21 ILE 33 10.730 7.381 -11.897 255 HG22 ILE 33 HG22 ILE 33 11.930 7.580 -10.622 256 HG23 ILE 33 HG23 ILE 33 10.556 6.502 -10.379 257 HD11 ILE 33 HD11 ILE 33 7.319 10.149 -10.266 258 HD12 ILE 33 HD12 ILE 33 8.919 10.796 -10.627 259 HD13 ILE 33 HD13 ILE 33 7.827 10.361 -11.941 260 H GLU 34 H GLU 34 10.632 6.233 -7.651 261 HA GLU 34 HA GLU 34 13.043 7.306 -6.456 262 HB2 GLU 34 HB2 GLU 34 12.076 4.447 -6.426 263 HB3 GLU 34 HB3 GLU 34 13.240 5.191 -5.338 264 HG2 GLU 34 HG2 GLU 34 10.804 6.666 -5.234 265 HG3 GLU 34 HG3 GLU 34 10.452 4.952 -5.020 266 H ALA 35 H ALA 35 14.236 7.798 -8.357 267 HA ALA 35 HA ALA 35 15.436 5.420 -9.615 268 HB1 ALA 35 HB1 ALA 35 14.467 7.944 -10.906 269 HB2 ALA 35 HB2 ALA 35 15.734 6.969 -11.651 270 HB3 ALA 35 HB3 ALA 35 14.144 6.268 -11.353 271 H ASP 36 H ASP 36 17.635 5.482 -9.994 272 HA ASP 36 HA ASP 36 19.147 7.240 -8.318 273 HB2 ASP 36 HB2 ASP 36 19.755 4.929 -10.101 274 HB3 ASP 36 HB3 ASP 36 21.078 6.013 -9.678 275 H GLY 37 H GLY 37 18.343 9.230 -9.415 276 HA2 GLY 37 HA2 GLY 37 19.740 10.991 -10.467 277 HA3 GLY 37 HA3 GLY 37 20.020 9.846 -11.771 278 H PHE 38 H PHE 38 19.089 12.348 -12.345 279 HA PHE 38 HA PHE 38 16.328 12.701 -12.417 280 HB2 PHE 38 HB2 PHE 38 18.343 13.629 -14.474 281 HB3 PHE 38 HB3 PHE 38 16.733 14.296 -14.225 282 HD1 PHE 38 HD2 PHE 38 16.549 14.527 -11.339 283 HD2 PHE 38 HD1 PHE 38 19.844 15.289 -13.923 284 HE1 PHE 38 HE2 PHE 38 17.462 16.119 -9.700 285 HE2 PHE 38 HE1 PHE 38 20.763 16.882 -12.288 286 HZ PHE 38 HZ PHE 38 19.572 17.298 -10.173 287 H ARG 39 H ARG 39 14.918 11.264 -13.175 288 HA ARG 39 HA ARG 39 15.210 10.343 -15.929 289 HB2 ARG 39 HB2 ARG 39 14.654 8.452 -13.636 290 HB3 ARG 39 HB3 ARG 39 14.689 8.028 -15.342 291 HG2 ARG 39 HG2 ARG 39 17.061 9.141 -13.868 292 HG3 ARG 39 HG3 ARG 39 16.734 7.415 -14.034 293 HD2 ARG 39 HD2 ARG 39 16.836 9.192 -16.442 294 HD3 ARG 39 HD3 ARG 39 18.321 8.570 -15.722 295 HE ARG 39 HE ARG 39 16.827 6.346 -16.029 296 HH11 ARG 39 HH11 ARG 39 17.706 8.931 -18.190 297 HH12 ARG 39 HH12 ARG 39 17.676 7.932 -19.606 298 HH21 ARG 39 HH21 ARG 39 16.784 5.021 -17.886 299 HH22 ARG 39 HH22 ARG 39 17.151 5.709 -19.432 300 H THR 40 H THR 40 13.075 8.697 -16.146 301 HA THR 40 HA THR 40 10.759 10.034 -14.981 302 HB THR 40 HB THR 40 11.333 11.203 -17.153 303 HG1 THR 40 HG1 THR 40 9.136 11.232 -17.774 304 HG21 THR 40 HG21 THR 40 10.854 10.102 -19.233 305 HG22 THR 40 HG22 THR 40 10.318 8.646 -18.394 306 HG23 THR 40 HG23 THR 40 12.017 9.116 -18.348 307 H LEU 41 H LEU 41 8.750 8.908 -16.404 308 HA LEU 41 HA LEU 41 9.143 6.039 -15.888 309 HB2 LEU 41 HB2 LEU 41 6.643 7.720 -15.898 310 HB3 LEU 41 HB3 LEU 41 6.657 5.968 -15.715 311 HG LEU 41 HG LEU 41 7.809 7.993 -13.798 312 HD11 LEU 41 HD11 LEU 41 6.080 7.303 -12.309 313 HD12 LEU 41 HD12 LEU 41 5.560 6.028 -13.411 314 HD13 LEU 41 HD13 LEU 41 5.325 7.721 -13.848 315 HD21 LEU 41 HD21 LEU 41 7.909 4.985 -13.813 316 HD22 LEU 41 HD22 LEU 41 8.165 5.952 -12.361 317 HD23 LEU 41 HD23 LEU 41 9.258 6.119 -13.736 318 H ASN 42 H ASN 42 7.828 4.557 -17.259 319 HA ASN 42 HA ASN 42 7.846 5.500 -20.047 320 HB2 ASN 42 HB2 ASN 42 8.375 2.803 -18.821 321 HB3 ASN 42 HB3 ASN 42 7.947 2.961 -20.522 322 HD21 ASN 42 HD21 ASN 42 10.188 4.275 -18.114 323 HD22 ASN 42 HD22 ASN 42 11.533 4.412 -19.189 324 H GLU 43 H GLU 43 5.973 5.633 -21.090 325 HA GLU 43 HA GLU 43 3.507 5.086 -19.851 326 HB2 GLU 43 HB2 GLU 43 3.559 6.774 -21.522 327 HB3 GLU 43 HB3 GLU 43 4.258 5.681 -22.708 328 HG2 GLU 43 HG2 GLU 43 2.174 4.405 -22.758 329 HG3 GLU 43 HG3 GLU 43 1.473 5.513 -21.580 330 H GLY 44 H GLY 44 2.477 3.225 -19.576 331 HA2 GLY 44 HA2 GLY 44 1.512 1.198 -20.267 332 HA3 GLY 44 HA3 GLY 44 2.610 1.168 -21.639 333 H GLU 45 H GLU 45 4.405 1.909 -18.967 334 HA GLU 45 HA GLU 45 5.365 -0.844 -18.779 335 HB2 GLU 45 HB2 GLU 45 7.015 0.910 -19.235 336 HB3 GLU 45 HB3 GLU 45 6.565 1.732 -17.748 337 HG2 GLU 45 HG2 GLU 45 7.405 -0.083 -16.423 338 HG3 GLU 45 HG3 GLU 45 7.715 -1.045 -17.868 339 H HIS 46 H HIS 46 5.883 -1.771 -16.692 340 HA HIS 46 HA HIS 46 3.794 -1.224 -14.757 341 HB2 HIS 46 HB2 HIS 46 5.950 -3.302 -14.459 342 HB3 HIS 46 HB3 HIS 46 4.321 -3.308 -13.789 343 HD1 HIS 46 HD1 HIS 46 2.541 -4.446 -15.135 344 HD2 HIS 46 HD2 HIS 46 6.027 -3.825 -17.309 345 HE1 HIS 46 HE1 HIS 46 2.214 -5.685 -17.299 346 H VAL 47 H VAL 47 4.059 -0.409 -12.735 347 HA VAL 47 HA VAL 47 6.673 -0.057 -11.572 348 HB VAL 47 HB VAL 47 6.292 2.452 -11.285 349 HG11 VAL 47 HG11 VAL 47 6.800 1.954 -14.156 350 HG12 VAL 47 HG12 VAL 47 7.758 2.842 -12.970 351 HG13 VAL 47 HG13 VAL 47 7.809 1.079 -13.005 352 HG21 VAL 47 HG21 VAL 47 4.721 3.566 -12.471 353 HG22 VAL 47 HG22 VAL 47 4.822 2.466 -13.846 354 HG23 VAL 47 HG23 VAL 47 3.896 2.008 -12.417 355 H GLU 48 H GLU 48 6.590 0.187 -9.380 356 HA GLU 48 HA GLU 48 3.933 -0.004 -8.175 357 HB2 GLU 48 HB2 GLU 48 5.300 -1.734 -7.386 358 HB3 GLU 48 HB3 GLU 48 6.704 -0.685 -7.241 359 HG2 GLU 48 HG2 GLU 48 5.755 0.405 -5.321 360 HG3 GLU 48 HG3 GLU 48 4.253 -0.498 -5.507 361 H PHE 49 H PHE 49 3.023 1.640 -7.138 362 HA PHE 49 HA PHE 49 4.736 3.894 -6.319 363 HB2 PHE 49 HB2 PHE 49 2.659 5.304 -6.649 364 HB3 PHE 49 HB3 PHE 49 3.375 4.655 -8.120 365 HD1 PHE 49 HD1 PHE 49 2.327 2.669 -9.215 366 HD2 PHE 49 HD2 PHE 49 0.452 4.780 -6.030 367 HE1 PHE 49 HE1 PHE 49 0.165 1.668 -9.829 368 HE2 PHE 49 HE2 PHE 49 -1.712 3.781 -6.638 369 HZ PHE 49 HZ PHE 49 -1.858 2.223 -8.539 370 H GLU 50 H GLU 50 4.334 4.881 -4.346 371 HA GLU 50 HA GLU 50 2.652 3.313 -2.514 372 HB2 GLU 50 HB2 GLU 50 5.315 4.287 -2.313 373 HB3 GLU 50 HB3 GLU 50 4.347 5.136 -1.116 374 HG2 GLU 50 HG2 GLU 50 3.480 2.697 -0.604 375 HG3 GLU 50 HG3 GLU 50 5.035 2.258 -1.309 376 H VAL 51 H VAL 51 0.677 4.274 -2.658 377 HA VAL 51 HA VAL 51 0.198 7.030 -2.906 378 HB VAL 51 HB VAL 51 -2.100 6.557 -2.294 379 HG11 VAL 51 HG11 VAL 51 -1.686 4.092 -3.771 380 HG12 VAL 51 HG12 VAL 51 -2.484 5.587 -4.265 381 HG13 VAL 51 HG13 VAL 51 -0.733 5.429 -4.414 382 HG21 VAL 51 HG21 VAL 51 -2.669 4.149 -1.672 383 HG22 VAL 51 HG22 VAL 51 -0.960 3.969 -1.277 384 HG23 VAL 51 HG23 VAL 51 -1.944 5.153 -0.416 385 H GLU 52 H GLU 52 0.397 8.633 -1.496 386 HA GLU 52 HA GLU 52 0.491 7.971 1.374 387 HB2 GLU 52 HB2 GLU 52 2.213 9.594 -0.313 388 HB3 GLU 52 HB3 GLU 52 1.612 10.502 1.067 389 HG2 GLU 52 HG2 GLU 52 2.355 8.170 2.243 390 HG3 GLU 52 HG3 GLU 52 3.542 8.307 0.948 391 HA PRO 53 HA PRO 53 -2.919 10.595 2.221 392 HB2 PRO 53 HB2 PRO 53 -2.174 11.809 4.532 393 HB3 PRO 53 HB3 PRO 53 -2.628 10.103 4.446 394 HG2 PRO 53 HG2 PRO 53 0.099 11.337 4.497 395 HG3 PRO 53 HG3 PRO 53 -0.500 9.911 5.364 396 HD2 PRO 53 HD2 PRO 53 0.987 9.727 3.108 397 HD3 PRO 53 HD3 PRO 53 -0.265 8.540 3.526 398 H GLY 54 H GLY 54 -0.746 12.787 3.819 399 HA2 GLY 54 HA2 GLY 54 -1.661 14.973 2.185 400 HA3 GLY 54 HA3 GLY 54 -0.539 15.075 3.533 401 H ARG 55 H ARG 55 -0.550 13.509 0.326 402 HA ARG 55 HA ARG 55 2.018 14.842 -0.217 403 HB2 ARG 55 HB2 ARG 55 1.412 11.987 -0.132 404 HB3 ARG 55 HB3 ARG 55 2.133 12.482 -1.657 405 HG2 ARG 55 HG2 ARG 55 3.722 11.705 0.141 406 HG3 ARG 55 HG3 ARG 55 4.084 13.265 -0.602 407 HD2 ARG 55 HD2 ARG 55 3.317 14.456 1.275 408 HD3 ARG 55 HD3 ARG 55 2.493 13.044 1.935 409 HE ARG 55 HE ARG 55 5.348 12.744 1.704 410 HH11 ARG 55 HH11 ARG 55 2.719 13.829 3.711 411 HH12 ARG 55 HH12 ARG 55 3.610 13.671 5.189 412 HH21 ARG 55 HH21 ARG 55 6.532 12.533 3.642 413 HH22 ARG 55 HH22 ARG 55 5.779 12.935 5.148 414 H GLY 56 H GLY 56 -0.851 13.269 -1.574 415 HA2 GLY 56 HA2 GLY 56 -0.330 14.570 -4.155 416 HA3 GLY 56 HA3 GLY 56 -1.480 13.272 -3.872 417 H GLY 57 H GLY 57 -1.640 16.089 -5.045 418 HA2 GLY 57 HA2 GLY 57 -3.068 17.849 -3.500 419 HA3 GLY 57 HA3 GLY 57 -3.335 17.635 -5.224 420 H LYS 58 H LYS 58 -4.331 15.015 -5.210 421 HA LYS 58 HA LYS 58 -7.023 15.537 -4.274 422 HB2 LYS 58 HB2 LYS 58 -5.769 13.419 -6.000 423 HB3 LYS 58 HB3 LYS 58 -7.411 13.237 -5.396 424 HG2 LYS 58 HG2 LYS 58 -6.424 15.542 -7.064 425 HG3 LYS 58 HG3 LYS 58 -7.335 14.157 -7.669 426 HD2 LYS 58 HD2 LYS 58 -8.284 16.170 -5.631 427 HD3 LYS 58 HD3 LYS 58 -8.813 16.053 -7.311 428 HE2 LYS 58 HE2 LYS 58 -9.594 13.722 -6.792 429 HE3 LYS 58 HE3 LYS 58 -9.262 14.063 -5.094 430 HZ1 LYS 58 HZ1 LYS 58 -11.221 15.048 -4.937 431 HZ2 LYS 58 HZ2 LYS 58 -11.553 14.691 -6.557 432 HZ3 LYS 58 HZ3 LYS 58 -10.807 16.153 -6.149 433 H GLY 59 H GLY 59 -4.262 13.726 -3.289 434 HA2 GLY 59 HA2 GLY 59 -4.725 13.192 -0.767 435 HA3 GLY 59 HA3 GLY 59 -5.854 12.053 -1.485 436 HA PRO 60 HA PRO 60 -2.644 9.070 -1.655 437 HB2 PRO 60 HB2 PRO 60 -3.513 7.540 -3.723 438 HB3 PRO 60 HB3 PRO 60 -4.282 7.531 -2.131 439 HG2 PRO 60 HG2 PRO 60 -5.100 8.977 -4.621 440 HG3 PRO 60 HG3 PRO 60 -6.106 8.093 -3.459 441 HD2 PRO 60 HD2 PRO 60 -5.901 10.793 -3.450 442 HD3 PRO 60 HD3 PRO 60 -6.147 9.848 -1.966 443 H GLN 61 H GLN 61 -0.672 9.662 -2.323 444 HA GLN 61 HA GLN 61 -0.284 10.205 -5.193 445 HB2 GLN 61 HB2 GLN 61 0.290 12.242 -4.328 446 HB3 GLN 61 HB3 GLN 61 0.757 11.571 -2.771 447 HG2 GLN 61 HG2 GLN 61 2.849 10.808 -3.661 448 HG3 GLN 61 HG3 GLN 61 2.374 11.286 -5.291 449 HE21 GLN 61 HE21 GLN 61 4.287 12.129 -2.840 450 HE22 GLN 61 HE22 GLN 61 4.344 13.842 -3.052 451 H ALA 62 H ALA 62 1.772 9.564 -6.094 452 HA ALA 62 HA ALA 62 2.594 6.981 -5.139 453 HB1 ALA 62 HB1 ALA 62 3.385 8.669 -7.494 454 HB2 ALA 62 HB2 ALA 62 4.194 7.147 -7.116 455 HB3 ALA 62 HB3 ALA 62 2.467 7.163 -7.475 456 H LYS 63 H LYS 63 3.218 8.409 -3.065 457 HA LYS 63 HA LYS 63 5.446 9.922 -2.804 458 HB2 LYS 63 HB2 LYS 63 4.261 9.471 -0.831 459 HB3 LYS 63 HB3 LYS 63 4.365 7.730 -1.057 460 HG2 LYS 63 HG2 LYS 63 5.792 8.550 0.770 461 HG3 LYS 63 HG3 LYS 63 6.709 7.750 -0.508 462 HD2 LYS 63 HD2 LYS 63 7.847 9.773 0.216 463 HD3 LYS 63 HD3 LYS 63 7.287 9.945 -1.449 464 HE2 LYS 63 HE2 LYS 63 5.465 11.318 -0.779 465 HE3 LYS 63 HE3 LYS 63 5.735 10.954 0.925 466 HZ1 LYS 63 HZ1 LYS 63 7.508 12.363 1.043 467 HZ2 LYS 63 HZ2 LYS 63 6.584 13.174 -0.119 468 HZ3 LYS 63 HZ3 LYS 63 7.897 12.220 -0.597 469 H LYS 64 H LYS 64 5.426 6.365 -2.912 470 HA LYS 64 HA LYS 64 8.288 6.467 -3.610 471 HB2 LYS 64 HB2 LYS 64 7.129 5.203 -1.421 472 HB3 LYS 64 HB3 LYS 64 7.383 3.901 -2.576 473 HG2 LYS 64 HG2 LYS 64 9.718 4.339 -2.679 474 HG3 LYS 64 HG3 LYS 64 9.537 5.836 -1.762 475 HD2 LYS 64 HD2 LYS 64 8.720 4.477 0.162 476 HD3 LYS 64 HD3 LYS 64 9.102 3.023 -0.763 477 HE2 LYS 64 HE2 LYS 64 10.947 3.413 0.670 478 HE3 LYS 64 HE3 LYS 64 11.458 3.899 -0.946 479 HZ1 LYS 64 HZ1 LYS 64 11.736 5.410 1.249 480 HZ2 LYS 64 HZ2 LYS 64 10.278 6.010 0.638 481 HZ3 LYS 64 HZ3 LYS 64 11.669 6.026 -0.325 482 H VAL 65 H VAL 65 8.431 6.152 -5.738 483 HA VAL 65 HA VAL 65 6.712 4.105 -6.975 484 HB VAL 65 HB VAL 65 7.560 6.747 -7.848 485 HG11 VAL 65 HG11 VAL 65 7.865 6.101 -10.234 486 HG12 VAL 65 HG12 VAL 65 9.188 5.597 -9.182 487 HG13 VAL 65 HG13 VAL 65 7.988 4.420 -9.716 488 HG21 VAL 65 HG21 VAL 65 5.231 5.560 -7.675 489 HG22 VAL 65 HG22 VAL 65 5.542 6.732 -8.955 490 HG23 VAL 65 HG23 VAL 65 5.623 5.005 -9.302 491 H ARG 66 H ARG 66 7.598 2.487 -8.206 492 HA ARG 66 HA ARG 66 10.533 2.384 -8.381 493 HB2 ARG 66 HB2 ARG 66 8.661 0.419 -7.162 494 HB3 ARG 66 HB3 ARG 66 10.018 -0.220 -8.081 495 HG2 ARG 66 HG2 ARG 66 10.532 1.865 -6.020 496 HG3 ARG 66 HG3 ARG 66 10.212 0.206 -5.508 497 HD2 ARG 66 HD2 ARG 66 12.077 -0.622 -6.701 498 HD3 ARG 66 HD3 ARG 66 12.271 0.888 -7.589 499 HE ARG 66 HE ARG 66 12.553 1.288 -4.789 500 HH11 ARG 66 HH11 ARG 66 14.212 0.092 -7.606 501 HH12 ARG 66 HH12 ARG 66 15.792 0.419 -6.975 502 HH21 ARG 66 HH21 ARG 66 14.628 1.723 -3.947 503 HH22 ARG 66 HH22 ARG 66 16.028 1.346 -4.894 504 H ARG 67 H ARG 67 11.376 1.448 -10.214 505 HA ARG 67 HA ARG 67 9.610 1.309 -12.480 506 HB2 ARG 67 HB2 ARG 67 11.579 1.122 -13.808 507 HB3 ARG 67 HB3 ARG 67 11.938 2.273 -12.528 508 HG2 ARG 67 HG2 ARG 67 13.130 0.540 -11.293 509 HG3 ARG 67 HG3 ARG 67 12.760 -0.623 -12.567 510 HD2 ARG 67 HD2 ARG 67 14.009 0.743 -14.170 511 HD3 ARG 67 HD3 ARG 67 14.378 1.902 -12.893 512 HE ARG 67 HE ARG 67 15.263 -0.598 -12.045 513 HH11 ARG 67 HH11 ARG 67 15.965 1.717 -14.548 514 HH12 ARG 67 HH12 ARG 67 17.635 1.270 -14.674 515 HH21 ARG 67 HH21 ARG 67 17.459 -1.196 -12.201 516 HH22 ARG 67 HH22 ARG 67 18.483 -0.388 -13.339 517 H ILE 68 H ILE 68 8.870 -0.456 -13.521 518 HA ILE 68 HA ILE 68 9.942 -3.087 -12.810 519 HB ILE 68 HB ILE 68 6.969 -2.620 -12.901 520 HG12 ILE 68 HG12 ILE 68 8.099 -1.323 -11.043 521 HG13 ILE 68 HG13 ILE 68 6.899 -2.500 -10.521 522 HG21 ILE 68 HG21 ILE 68 6.977 -4.787 -11.648 523 HG22 ILE 68 HG22 ILE 68 7.581 -4.888 -13.301 524 HG23 ILE 68 HG23 ILE 68 8.712 -4.883 -11.949 525 HD11 ILE 68 HD11 ILE 68 9.303 -2.267 -9.399 526 HD12 ILE 68 HD12 ILE 68 8.427 -3.796 -9.485 527 HD13 ILE 68 HD13 ILE 68 9.693 -3.437 -10.659 Start of MODEL 15 1 H1 MET 1 H MET 1 1.960 -0.472 0.728 2 HA MET 1 HA MET 1 2.448 1.243 -1.489 3 HB2 MET 1 HB2 MET 1 4.185 -0.383 -2.098 4 HB3 MET 1 HB3 MET 1 4.264 0.037 -0.392 5 HG2 MET 1 HG2 MET 1 2.699 -2.123 -0.232 6 HG3 MET 1 HG3 MET 1 3.602 -2.528 -1.690 7 HE1 MET 1 HE1 MET 1 3.610 -2.894 2.113 8 HE2 MET 1 HE2 MET 1 3.510 -4.192 0.924 9 HE3 MET 1 HE3 MET 1 4.911 -4.078 1.989 10 H LYS 2 H LYS 2 1.837 1.091 -3.572 11 HA LYS 2 HA LYS 2 0.255 -1.269 -4.358 12 HB2 LYS 2 HB2 LYS 2 -0.151 1.608 -5.199 13 HB3 LYS 2 HB3 LYS 2 -1.066 0.235 -5.808 14 HG2 LYS 2 HG2 LYS 2 -1.033 1.272 -2.982 15 HG3 LYS 2 HG3 LYS 2 -2.359 1.382 -4.142 16 HD2 LYS 2 HD2 LYS 2 -2.207 -1.201 -4.199 17 HD3 LYS 2 HD3 LYS 2 -1.310 -1.021 -2.689 18 HE2 LYS 2 HE2 LYS 2 -3.138 -0.282 -1.534 19 HE3 LYS 2 HE3 LYS 2 -3.885 0.437 -2.960 20 HZ1 LYS 2 HZ1 LYS 2 -4.636 -1.891 -1.819 21 HZ2 LYS 2 HZ2 LYS 2 -3.657 -2.430 -3.088 22 HZ3 LYS 2 HZ3 LYS 2 -4.987 -1.435 -3.410 23 H LYS 3 H LYS 3 0.413 -1.958 -6.527 24 HA LYS 3 HA LYS 3 2.638 -0.810 -8.069 25 HB2 LYS 3 HB2 LYS 3 2.142 -3.777 -7.841 26 HB3 LYS 3 HB3 LYS 3 3.515 -2.971 -8.588 27 HG2 LYS 3 HG2 LYS 3 4.183 -2.128 -6.365 28 HG3 LYS 3 HG3 LYS 3 2.855 -3.045 -5.651 29 HD2 LYS 3 HD2 LYS 3 4.750 -4.411 -5.389 30 HD3 LYS 3 HD3 LYS 3 3.886 -5.091 -6.770 31 HE2 LYS 3 HE2 LYS 3 5.848 -4.979 -7.836 32 HE3 LYS 3 HE3 LYS 3 5.538 -3.247 -7.948 33 HZ1 LYS 3 HZ1 LYS 3 7.272 -2.853 -6.653 34 HZ2 LYS 3 HZ2 LYS 3 7.642 -4.504 -6.655 35 HZ3 LYS 3 HZ3 LYS 3 6.666 -3.857 -5.434 36 H GLY 4 H GLY 4 2.236 -0.530 -10.189 37 HA2 GLY 4 HA2 GLY 4 0.418 -2.139 -11.680 38 HA3 GLY 4 HA3 GLY 4 -0.317 -0.604 -11.243 39 H THR 5 H THR 5 -0.095 -1.111 -13.854 40 HA THR 5 HA THR 5 2.378 -0.068 -14.922 41 HB THR 5 HB THR 5 1.215 -0.231 -17.125 42 HG1 THR 5 HG1 THR 5 -0.937 0.066 -16.286 43 HG21 THR 5 HG21 THR 5 1.160 -2.679 -15.359 44 HG22 THR 5 HG22 THR 5 2.503 -2.119 -16.355 45 HG23 THR 5 HG23 THR 5 1.027 -2.712 -17.117 46 H VAL 6 H VAL 6 2.659 1.892 -15.987 47 HA VAL 6 HA VAL 6 0.911 4.023 -15.073 48 HB VAL 6 HB VAL 6 3.582 3.950 -15.271 49 HG11 VAL 6 HG11 VAL 6 3.491 3.753 -17.737 50 HG12 VAL 6 HG12 VAL 6 2.721 5.340 -17.806 51 HG13 VAL 6 HG13 VAL 6 4.366 5.182 -17.189 52 HG21 VAL 6 HG21 VAL 6 2.483 6.612 -15.893 53 HG22 VAL 6 HG22 VAL 6 1.740 5.779 -14.527 54 HG23 VAL 6 HG23 VAL 6 3.477 6.081 -14.536 55 H LYS 7 H LYS 7 -0.183 5.464 -16.397 56 HA LYS 7 HA LYS 7 -0.790 4.439 -19.070 57 HB2 LYS 7 HB2 LYS 7 -2.491 5.180 -17.146 58 HB3 LYS 7 HB3 LYS 7 -2.273 6.746 -17.916 59 HG2 LYS 7 HG2 LYS 7 -3.198 4.223 -19.276 60 HG3 LYS 7 HG3 LYS 7 -4.216 5.585 -18.802 61 HD2 LYS 7 HD2 LYS 7 -2.337 6.860 -20.269 62 HD3 LYS 7 HD3 LYS 7 -2.375 5.295 -21.085 63 HE2 LYS 7 HE2 LYS 7 -5.005 6.453 -20.451 64 HE3 LYS 7 HE3 LYS 7 -4.053 7.350 -21.633 65 HZ1 LYS 7 HZ1 LYS 7 -5.240 4.693 -21.832 66 HZ2 LYS 7 HZ2 LYS 7 -3.743 4.918 -22.587 67 HZ3 LYS 7 HZ3 LYS 7 -5.060 5.889 -23.015 68 H TRP 8 H TRP 8 0.394 7.310 -17.418 69 HA TRP 8 HA TRP 8 1.833 8.192 -19.694 70 HB2 TRP 8 HB2 TRP 8 0.623 10.062 -20.411 71 HB3 TRP 8 HB3 TRP 8 -0.623 8.837 -20.190 72 HD1 TRP 8 HD1 TRP 8 0.800 11.966 -18.436 73 HE1 TRP 8 HE1 TRP 8 -1.043 12.952 -16.934 74 HE3 TRP 8 HE3 TRP 8 -2.752 8.336 -19.021 75 HZ2 TRP 8 HZ2 TRP 8 -3.657 12.280 -16.107 76 HZ3 TRP 8 HZ3 TRP 8 -4.896 8.583 -17.840 77 HH2 TRP 8 HH2 TRP 8 -5.337 10.514 -16.413 78 H PHE 9 H PHE 9 3.371 9.694 -19.156 79 HA PHE 9 HA PHE 9 3.197 10.947 -16.509 80 HB2 PHE 9 HB2 PHE 9 4.537 8.970 -16.150 81 HB3 PHE 9 HB3 PHE 9 5.534 9.338 -17.553 82 HD1 PHE 9 HD1 PHE 9 4.798 10.191 -14.075 83 HD2 PHE 9 HD2 PHE 9 7.245 11.033 -17.455 84 HE1 PHE 9 HE1 PHE 9 6.353 11.440 -12.634 85 HE2 PHE 9 HE2 PHE 9 8.804 12.282 -16.019 86 HZ PHE 9 HZ PHE 9 8.360 12.487 -13.605 87 H ASN 10 H ASN 10 2.984 13.009 -17.220 88 HA ASN 10 HA ASN 10 4.383 14.088 -19.439 89 HB2 ASN 10 HB2 ASN 10 2.428 14.995 -17.507 90 HB3 ASN 10 HB3 ASN 10 3.656 16.228 -17.778 91 HD21 ASN 10 HD21 ASN 10 2.657 17.662 -19.029 92 HD22 ASN 10 HD22 ASN 10 1.906 17.310 -20.545 93 H ALA 11 H ALA 11 6.556 14.075 -19.389 94 HA ALA 11 HA ALA 11 8.034 14.648 -16.983 95 HB1 ALA 11 HB1 ALA 11 8.806 14.003 -19.808 96 HB2 ALA 11 HB2 ALA 11 10.004 14.532 -18.626 97 HB3 ALA 11 HB3 ALA 11 9.074 13.062 -18.340 98 H GLU 12 H GLU 12 6.750 16.458 -19.589 99 HA GLU 12 HA GLU 12 8.609 18.595 -19.633 100 HB2 GLU 12 HB2 GLU 12 5.857 18.131 -20.652 101 HB3 GLU 12 HB3 GLU 12 6.374 19.803 -20.484 102 HG2 GLU 12 HG2 GLU 12 8.053 19.580 -22.063 103 HG3 GLU 12 HG3 GLU 12 8.094 17.824 -21.916 104 H LYS 13 H LYS 13 5.501 18.161 -17.967 105 HA LYS 13 HA LYS 13 5.878 20.645 -16.503 106 HB2 LYS 13 HB2 LYS 13 3.646 18.625 -16.634 107 HB3 LYS 13 HB3 LYS 13 3.654 19.926 -15.450 108 HG2 LYS 13 HG2 LYS 13 3.855 21.531 -17.375 109 HG3 LYS 13 HG3 LYS 13 3.550 20.161 -18.445 110 HD2 LYS 13 HD2 LYS 13 1.476 21.316 -18.044 111 HD3 LYS 13 HD3 LYS 13 1.424 19.751 -17.230 112 HE2 LYS 13 HE2 LYS 13 0.530 21.617 -15.860 113 HE3 LYS 13 HE3 LYS 13 1.884 20.775 -15.109 114 HZ1 LYS 13 HZ1 LYS 13 2.671 23.018 -16.729 115 HZ2 LYS 13 HZ2 LYS 13 3.136 22.605 -15.156 116 HZ3 LYS 13 HZ3 LYS 13 1.694 23.450 -15.417 117 H GLY 14 H GLY 14 5.932 17.170 -15.948 118 HA2 GLY 14 HA2 GLY 14 7.368 16.221 -14.285 119 HA3 GLY 14 HA3 GLY 14 7.186 17.692 -13.339 120 H TYR 15 H TYR 15 4.693 15.670 -14.848 121 HA TYR 15 HA TYR 15 3.849 14.647 -12.273 122 HB2 TYR 15 HB2 TYR 15 1.706 15.630 -12.217 123 HB3 TYR 15 HB3 TYR 15 2.797 16.958 -12.596 124 HD1 TYR 15 HD2 TYR 15 3.171 17.267 -15.244 125 HD2 TYR 15 HD1 TYR 15 -0.250 15.512 -13.424 126 HE1 TYR 15 HE2 TYR 15 1.844 17.790 -17.248 127 HE2 TYR 15 HE1 TYR 15 -1.586 16.028 -15.423 128 HH TYR 15 HH TYR 15 -0.480 16.607 -18.274 129 H GLY 16 H GLY 16 2.363 12.912 -12.426 130 HA2 GLY 16 HA2 GLY 16 1.490 12.042 -15.056 131 HA3 GLY 16 HA3 GLY 16 2.705 11.024 -14.296 132 H PHE 17 H PHE 17 0.513 9.728 -14.839 133 HA PHE 17 HA PHE 17 -0.749 9.361 -12.225 134 HB2 PHE 17 HB2 PHE 17 -2.217 9.744 -14.835 135 HB3 PHE 17 HB3 PHE 17 -2.962 9.010 -13.419 136 HD1 PHE 17 HD2 PHE 17 -1.586 12.107 -14.827 137 HD2 PHE 17 HD1 PHE 17 -3.613 10.327 -11.534 138 HE1 PHE 17 HE2 PHE 17 -2.166 14.342 -13.980 139 HE2 PHE 17 HE1 PHE 17 -4.197 12.560 -10.682 140 HZ PHE 17 HZ PHE 17 -3.472 14.572 -11.905 141 H ILE 18 H ILE 18 -0.609 7.306 -11.635 142 HA ILE 18 HA ILE 18 -0.063 5.279 -13.676 143 HB ILE 18 HB ILE 18 0.121 4.986 -10.678 144 HG12 ILE 18 HG12 ILE 18 2.482 5.321 -12.502 145 HG13 ILE 18 HG13 ILE 18 1.645 6.735 -11.869 146 HG21 ILE 18 HG21 ILE 18 0.032 2.835 -11.491 147 HG22 ILE 18 HG22 ILE 18 0.821 3.261 -13.008 148 HG23 ILE 18 HG23 ILE 18 1.768 3.142 -11.525 149 HD11 ILE 18 HD11 ILE 18 2.003 5.654 -9.570 150 HD12 ILE 18 HD12 ILE 18 3.195 4.648 -10.395 151 HD13 ILE 18 HD13 ILE 18 3.382 6.402 -10.375 152 H GLN 19 H GLN 19 -1.149 3.239 -13.637 153 HA GLN 19 HA GLN 19 -3.760 3.263 -12.284 154 HB2 GLN 19 HB2 GLN 19 -3.520 2.039 -14.996 155 HB3 GLN 19 HB3 GLN 19 -4.932 2.719 -14.197 156 HG2 GLN 19 HG2 GLN 19 -2.645 4.237 -15.429 157 HG3 GLN 19 HG3 GLN 19 -4.296 4.121 -16.036 158 HE21 GLN 19 HE21 GLN 19 -2.486 6.358 -15.022 159 HE22 GLN 19 HE22 GLN 19 -3.493 7.227 -13.920 160 H GLN 20 H GLN 20 -4.576 1.258 -11.657 161 HA GLN 20 HA GLN 20 -2.604 -0.927 -11.712 162 HB2 GLN 20 HB2 GLN 20 -3.695 0.275 -9.523 163 HB3 GLN 20 HB3 GLN 20 -4.796 -1.077 -9.751 164 HG2 GLN 20 HG2 GLN 20 -3.300 -2.569 -9.040 165 HG3 GLN 20 HG3 GLN 20 -1.985 -1.823 -9.946 166 HE21 GLN 20 HE21 GLN 20 -3.852 -1.683 -6.983 167 HE22 GLN 20 HE22 GLN 20 -2.666 -0.841 -6.051 168 H GLU 21 H GLU 21 -4.230 -2.994 -10.862 169 HA GLU 21 HA GLU 21 -5.241 -4.044 -13.184 170 HB2 GLU 21 HB2 GLU 21 -6.373 -5.695 -11.839 171 HB3 GLU 21 HB3 GLU 21 -4.828 -5.317 -11.092 172 HG2 GLU 21 HG2 GLU 21 -6.144 -3.680 -9.633 173 HG3 GLU 21 HG3 GLU 21 -7.577 -4.533 -10.205 174 H GLU 22 H GLU 22 -6.817 -1.900 -10.915 175 HA GLU 22 HA GLU 22 -9.313 -2.066 -12.448 176 HB2 GLU 22 HB2 GLU 22 -8.779 -0.742 -9.783 177 HB3 GLU 22 HB3 GLU 22 -10.346 -0.884 -10.566 178 HG2 GLU 22 HG2 GLU 22 -9.783 -3.448 -10.501 179 HG3 GLU 22 HG3 GLU 22 -8.720 -2.951 -9.185 180 H GLY 23 H GLY 23 -6.694 0.072 -11.592 181 HA2 GLY 23 HA2 GLY 23 -6.034 2.047 -12.587 182 HA3 GLY 23 HA3 GLY 23 -7.364 1.867 -13.722 183 HA PRO 24 HA PRO 24 -9.297 4.025 -9.861 184 HB2 PRO 24 HB2 PRO 24 -7.611 4.700 -7.843 185 HB3 PRO 24 HB3 PRO 24 -8.447 3.144 -7.917 186 HG2 PRO 24 HG2 PRO 24 -5.634 3.821 -8.686 187 HG3 PRO 24 HG3 PRO 24 -6.242 2.414 -7.794 188 HD2 PRO 24 HD2 PRO 24 -5.617 2.312 -10.427 189 HD3 PRO 24 HD3 PRO 24 -6.913 1.329 -9.714 190 H ASP 25 H ASP 25 -6.309 5.496 -8.897 191 HA ASP 25 HA ASP 25 -5.808 7.378 -10.813 192 HB2 ASP 25 HB2 ASP 25 -7.072 9.376 -9.697 193 HB3 ASP 25 HB3 ASP 25 -7.918 8.344 -10.846 194 H VAL 26 H VAL 26 -3.759 7.388 -10.047 195 HA VAL 26 HA VAL 26 -3.345 8.350 -7.292 196 HB VAL 26 HB VAL 26 -2.469 6.025 -7.988 197 HG11 VAL 26 HG11 VAL 26 -1.505 6.703 -10.126 198 HG12 VAL 26 HG12 VAL 26 -0.378 7.770 -9.287 199 HG13 VAL 26 HG13 VAL 26 -0.274 6.024 -9.062 200 HG21 VAL 26 HG21 VAL 26 -1.591 6.488 -5.977 201 HG22 VAL 26 HG22 VAL 26 -0.118 6.854 -6.876 202 HG23 VAL 26 HG23 VAL 26 -1.217 8.155 -6.416 203 H PHE 27 H PHE 27 -2.144 10.139 -6.947 204 HA PHE 27 HA PHE 27 -1.320 11.655 -9.302 205 HB2 PHE 27 HB2 PHE 27 -2.672 12.453 -7.107 206 HB3 PHE 27 HB3 PHE 27 -1.030 12.835 -6.600 207 HD1 PHE 27 HD1 PHE 27 0.205 13.683 -9.113 208 HD2 PHE 27 HD2 PHE 27 -3.670 14.492 -7.548 209 HE1 PHE 27 HE1 PHE 27 0.120 15.771 -10.412 210 HE2 PHE 27 HE2 PHE 27 -3.761 16.581 -8.845 211 HZ PHE 27 HZ PHE 27 -1.865 17.223 -10.280 212 H VAL 28 H VAL 28 0.703 11.482 -9.980 213 HA VAL 28 HA VAL 28 2.842 11.183 -7.974 214 HB VAL 28 HB VAL 28 3.945 9.580 -9.182 215 HG11 VAL 28 HG11 VAL 28 1.367 9.040 -8.677 216 HG12 VAL 28 HG12 VAL 28 1.390 8.770 -10.420 217 HG13 VAL 28 HG13 VAL 28 2.483 7.865 -9.372 218 HG21 VAL 28 HG21 VAL 28 4.250 10.761 -11.226 219 HG22 VAL 28 HG22 VAL 28 3.555 9.192 -11.633 220 HG23 VAL 28 HG23 VAL 28 2.538 10.633 -11.628 221 H HIS 29 H HIS 29 4.715 12.345 -8.293 222 HA HIS 29 HA HIS 29 4.695 14.245 -10.546 223 HB2 HIS 29 HB2 HIS 29 5.771 14.800 -7.776 224 HB3 HIS 29 HB3 HIS 29 5.631 15.944 -9.107 225 HD1 HIS 29 HD1 HIS 29 4.209 15.850 -6.121 226 HD2 HIS 29 HD2 HIS 29 2.476 15.366 -9.865 227 HE1 HIS 29 HE1 HIS 29 1.780 16.424 -5.817 228 H PHE 30 H PHE 30 6.817 15.029 -11.206 229 HA PHE 30 HA PHE 30 8.633 12.986 -11.703 230 HB2 PHE 30 HB2 PHE 30 10.028 14.619 -12.685 231 HB3 PHE 30 HB3 PHE 30 8.392 15.235 -12.896 232 HD1 PHE 30 HD2 PHE 30 7.564 16.807 -10.940 233 HD2 PHE 30 HD1 PHE 30 11.639 16.050 -11.905 234 HE1 PHE 30 HE2 PHE 30 8.212 18.906 -9.833 235 HE2 PHE 30 HE1 PHE 30 12.294 18.148 -10.799 236 HZ PHE 30 HZ PHE 30 10.580 19.580 -9.762 237 H THR 31 H THR 31 8.297 15.036 -8.947 238 HA THR 31 HA THR 31 10.943 14.334 -7.925 239 HB THR 31 HB THR 31 10.166 16.668 -7.674 240 HG1 THR 31 HG1 THR 31 11.116 16.794 -5.751 241 HG21 THR 31 HG21 THR 31 7.736 15.568 -7.040 242 HG22 THR 31 HG22 THR 31 8.193 17.250 -6.770 243 HG23 THR 31 HG23 THR 31 8.342 16.074 -5.464 244 H ALA 32 H ALA 32 8.629 12.424 -8.222 245 HA ALA 32 HA ALA 32 8.572 11.505 -5.422 246 HB1 ALA 32 HB1 ALA 32 6.370 12.374 -6.282 247 HB2 ALA 32 HB2 ALA 32 6.364 11.015 -7.406 248 HB3 ALA 32 HB3 ALA 32 6.350 10.721 -5.667 249 H ILE 33 H ILE 33 9.746 10.896 -8.425 250 HA ILE 33 HA ILE 33 9.438 8.000 -8.339 251 HB ILE 33 HB ILE 33 10.829 9.784 -10.338 252 HG12 ILE 33 HG12 ILE 33 8.844 8.555 -11.693 253 HG13 ILE 33 HG13 ILE 33 8.112 8.625 -10.093 254 HG21 ILE 33 HG21 ILE 33 10.394 7.301 -11.499 255 HG22 ILE 33 HG22 ILE 33 11.941 7.966 -10.977 256 HG23 ILE 33 HG23 ILE 33 11.013 6.934 -9.889 257 HD11 ILE 33 HD11 ILE 33 7.382 10.574 -11.078 258 HD12 ILE 33 HD12 ILE 33 8.790 11.118 -10.165 259 HD13 ILE 33 HD13 ILE 33 8.915 10.855 -11.904 260 H GLU 34 H GLU 34 10.951 6.614 -7.649 261 HA GLU 34 HA GLU 34 13.584 7.718 -6.918 262 HB2 GLU 34 HB2 GLU 34 12.295 5.316 -5.633 263 HB3 GLU 34 HB3 GLU 34 13.678 6.240 -5.061 264 HG2 GLU 34 HG2 GLU 34 11.610 8.091 -5.237 265 HG3 GLU 34 HG3 GLU 34 10.868 6.637 -4.571 266 H ALA 35 H ALA 35 14.483 7.214 -8.951 267 HA ALA 35 HA ALA 35 14.995 4.338 -9.331 268 HB1 ALA 35 HB1 ALA 35 14.231 4.362 -11.418 269 HB2 ALA 35 HB2 ALA 35 13.553 5.953 -11.075 270 HB3 ALA 35 HB3 ALA 35 15.151 5.815 -11.808 271 H ASP 36 H ASP 36 16.891 4.189 -11.086 272 HA ASP 36 HA ASP 36 19.118 5.609 -9.863 273 HB2 ASP 36 HB2 ASP 36 18.841 3.184 -11.590 274 HB3 ASP 36 HB3 ASP 36 20.385 4.030 -11.558 275 H GLY 37 H GLY 37 18.400 7.674 -10.830 276 HA2 GLY 37 HA2 GLY 37 19.749 9.055 -12.436 277 HA3 GLY 37 HA3 GLY 37 19.247 7.891 -13.653 278 H PHE 38 H PHE 38 17.658 8.570 -14.910 279 HA PHE 38 HA PHE 38 16.230 10.937 -14.499 280 HB2 PHE 38 HB2 PHE 38 15.820 8.585 -16.328 281 HB3 PHE 38 HB3 PHE 38 14.676 9.923 -16.304 282 HD1 PHE 38 HD1 PHE 38 18.084 8.891 -17.146 283 HD2 PHE 38 HD2 PHE 38 15.268 12.083 -17.182 284 HE1 PHE 38 HE1 PHE 38 19.528 10.144 -18.696 285 HE2 PHE 38 HE2 PHE 38 16.707 13.340 -18.732 286 HZ PHE 38 HZ PHE 38 18.840 12.370 -19.491 287 H ARG 39 H ARG 39 14.805 11.320 -12.944 288 HA ARG 39 HA ARG 39 13.343 9.209 -11.656 289 HB2 ARG 39 HB2 ARG 39 13.473 12.191 -11.329 290 HB3 ARG 39 HB3 ARG 39 12.230 11.256 -10.508 291 HG2 ARG 39 HG2 ARG 39 14.051 9.874 -9.499 292 HG3 ARG 39 HG3 ARG 39 15.210 11.013 -10.187 293 HD2 ARG 39 HD2 ARG 39 14.055 12.838 -8.956 294 HD3 ARG 39 HD3 ARG 39 13.036 11.621 -8.189 295 HE ARG 39 HE ARG 39 14.783 11.069 -6.812 296 HH11 ARG 39 HH11 ARG 39 15.965 13.004 -9.454 297 HH12 ARG 39 HH12 ARG 39 17.548 13.196 -8.776 298 HH21 ARG 39 HH21 ARG 39 16.863 11.315 -5.909 299 HH22 ARG 39 HH22 ARG 39 18.058 12.234 -6.761 300 H THR 40 H THR 40 12.408 8.628 -13.876 301 HA THR 40 HA THR 40 9.716 9.742 -13.992 302 HB THR 40 HB THR 40 9.720 10.114 -16.361 303 HG1 THR 40 HG1 THR 40 11.097 8.617 -17.190 304 HG21 THR 40 HG21 THR 40 11.216 11.991 -16.555 305 HG22 THR 40 HG22 THR 40 12.235 11.367 -15.257 306 HG23 THR 40 HG23 THR 40 10.603 11.932 -14.903 307 H LEU 41 H LEU 41 8.310 8.434 -15.497 308 HA LEU 41 HA LEU 41 9.084 5.600 -15.314 309 HB2 LEU 41 HB2 LEU 41 6.317 6.787 -15.456 310 HB3 LEU 41 HB3 LEU 41 6.714 5.083 -15.244 311 HG LEU 41 HG LEU 41 6.134 5.731 -13.106 312 HD11 LEU 41 HD11 LEU 41 8.000 5.303 -11.895 313 HD12 LEU 41 HD12 LEU 41 8.968 6.503 -12.750 314 HD13 LEU 41 HD13 LEU 41 8.648 4.936 -13.494 315 HD21 LEU 41 HD21 LEU 41 6.527 7.830 -12.106 316 HD22 LEU 41 HD22 LEU 41 6.034 8.176 -13.764 317 HD23 LEU 41 HD23 LEU 41 7.737 8.267 -13.312 318 H ASN 42 H ASN 42 7.459 4.338 -16.958 319 HA ASN 42 HA ASN 42 7.770 5.628 -19.587 320 HB2 ASN 42 HB2 ASN 42 8.516 2.830 -18.755 321 HB3 ASN 42 HB3 ASN 42 8.207 3.241 -20.439 322 HD21 ASN 42 HD21 ASN 42 10.651 2.443 -18.849 323 HD22 ASN 42 HD22 ASN 42 11.838 3.620 -19.287 324 H GLU 43 H GLU 43 5.967 5.693 -20.758 325 HA GLU 43 HA GLU 43 3.491 4.842 -19.811 326 HB2 GLU 43 HB2 GLU 43 3.647 6.593 -21.463 327 HB3 GLU 43 HB3 GLU 43 4.376 5.492 -22.624 328 HG2 GLU 43 HG2 GLU 43 2.260 4.175 -22.593 329 HG3 GLU 43 HG3 GLU 43 1.552 5.442 -21.593 330 H GLY 44 H GLY 44 2.620 2.890 -19.650 331 HA2 GLY 44 HA2 GLY 44 1.892 0.807 -20.458 332 HA3 GLY 44 HA3 GLY 44 3.084 0.914 -21.744 333 H GLU 45 H GLU 45 4.499 1.707 -18.821 334 HA GLU 45 HA GLU 45 5.622 -1.001 -18.594 335 HB2 GLU 45 HB2 GLU 45 7.200 0.850 -19.131 336 HB3 GLU 45 HB3 GLU 45 6.786 1.605 -17.599 337 HG2 GLU 45 HG2 GLU 45 7.976 0.112 -16.376 338 HG3 GLU 45 HG3 GLU 45 7.714 -1.204 -17.519 339 H HIS 46 H HIS 46 6.210 -1.735 -16.416 340 HA HIS 46 HA HIS 46 4.061 -1.146 -14.549 341 HB2 HIS 46 HB2 HIS 46 6.264 -3.159 -14.135 342 HB3 HIS 46 HB3 HIS 46 4.647 -3.150 -13.437 343 HD1 HIS 46 HD1 HIS 46 2.849 -4.370 -14.695 344 HD2 HIS 46 HD2 HIS 46 6.317 -3.887 -16.931 345 HE1 HIS 46 HE1 HIS 46 2.511 -5.754 -16.767 346 H VAL 47 H VAL 47 4.312 -0.310 -12.510 347 HA VAL 47 HA VAL 47 6.921 0.233 -11.414 348 HB VAL 47 HB VAL 47 6.338 2.734 -11.182 349 HG11 VAL 47 HG11 VAL 47 7.886 3.131 -12.766 350 HG12 VAL 47 HG12 VAL 47 7.975 1.371 -12.854 351 HG13 VAL 47 HG13 VAL 47 6.986 2.263 -14.010 352 HG21 VAL 47 HG21 VAL 47 4.758 3.691 -12.501 353 HG22 VAL 47 HG22 VAL 47 4.955 2.504 -13.790 354 HG23 VAL 47 HG23 VAL 47 4.023 2.094 -12.350 355 H GLU 48 H GLU 48 6.864 0.538 -9.229 356 HA GLU 48 HA GLU 48 4.253 0.206 -7.962 357 HB2 GLU 48 HB2 GLU 48 5.840 -1.378 -7.195 358 HB3 GLU 48 HB3 GLU 48 7.082 -0.151 -6.993 359 HG2 GLU 48 HG2 GLU 48 5.829 0.820 -5.139 360 HG3 GLU 48 HG3 GLU 48 4.578 -0.406 -5.342 361 H PHE 49 H PHE 49 3.238 1.803 -6.945 362 HA PHE 49 HA PHE 49 4.784 4.208 -6.230 363 HB2 PHE 49 HB2 PHE 49 2.590 5.444 -6.605 364 HB3 PHE 49 HB3 PHE 49 3.401 4.844 -8.047 365 HD1 PHE 49 HD1 PHE 49 2.549 2.796 -9.171 366 HD2 PHE 49 HD2 PHE 49 0.435 4.699 -6.005 367 HE1 PHE 49 HE1 PHE 49 0.501 1.602 -9.826 368 HE2 PHE 49 HE2 PHE 49 -1.617 3.506 -6.655 369 HZ PHE 49 HZ PHE 49 -1.586 1.957 -8.568 370 H GLU 50 H GLU 50 4.395 5.159 -4.265 371 HA GLU 50 HA GLU 50 2.767 3.576 -2.402 372 HB2 GLU 50 HB2 GLU 50 5.221 5.248 -2.102 373 HB3 GLU 50 HB3 GLU 50 4.139 5.097 -0.725 374 HG2 GLU 50 HG2 GLU 50 4.322 2.546 -1.218 375 HG3 GLU 50 HG3 GLU 50 5.789 3.015 -2.075 376 H VAL 51 H VAL 51 0.744 4.424 -2.574 377 HA VAL 51 HA VAL 51 0.127 7.151 -2.884 378 HB VAL 51 HB VAL 51 -2.152 6.572 -2.316 379 HG11 VAL 51 HG11 VAL 51 -1.513 4.088 -3.716 380 HG12 VAL 51 HG12 VAL 51 -2.479 5.470 -4.238 381 HG13 VAL 51 HG13 VAL 51 -0.722 5.510 -4.396 382 HG21 VAL 51 HG21 VAL 51 -2.636 4.180 -1.620 383 HG22 VAL 51 HG22 VAL 51 -0.922 4.053 -1.224 384 HG23 VAL 51 HG23 VAL 51 -1.936 5.229 -0.387 385 H GLU 52 H GLU 52 0.115 8.789 -1.490 386 HA GLU 52 HA GLU 52 0.185 8.170 1.390 387 HB2 GLU 52 HB2 GLU 52 1.797 10.047 -0.259 388 HB3 GLU 52 HB3 GLU 52 1.342 10.580 1.353 389 HG2 GLU 52 HG2 GLU 52 2.933 8.138 0.619 390 HG3 GLU 52 HG3 GLU 52 3.498 9.574 1.470 391 HA PRO 53 HA PRO 53 -3.307 10.744 2.032 392 HB2 PRO 53 HB2 PRO 53 -2.707 11.955 4.387 393 HB3 PRO 53 HB3 PRO 53 -3.141 10.245 4.269 394 HG2 PRO 53 HG2 PRO 53 -0.432 11.503 4.482 395 HG3 PRO 53 HG3 PRO 53 -1.067 10.067 5.307 396 HD2 PRO 53 HD2 PRO 53 0.549 9.907 3.140 397 HD3 PRO 53 HD3 PRO 53 -0.715 8.707 3.480 398 H GLY 54 H GLY 54 -1.180 12.927 3.730 399 HA2 GLY 54 HA2 GLY 54 -2.056 15.132 2.100 400 HA3 GLY 54 HA3 GLY 54 -0.961 15.217 3.472 401 H ARG 55 H ARG 55 -0.890 13.645 0.269 402 HA ARG 55 HA ARG 55 1.653 15.029 -0.246 403 HB2 ARG 55 HB2 ARG 55 1.217 12.194 0.039 404 HB3 ARG 55 HB3 ARG 55 1.771 12.560 -1.590 405 HG2 ARG 55 HG2 ARG 55 3.753 12.220 -0.485 406 HG3 ARG 55 HG3 ARG 55 3.580 13.972 -0.370 407 HD2 ARG 55 HD2 ARG 55 2.777 13.814 1.876 408 HD3 ARG 55 HD3 ARG 55 2.670 12.057 1.769 409 HE ARG 55 HE ARG 55 4.914 11.927 2.213 410 HH11 ARG 55 HH11 ARG 55 4.105 15.199 1.341 411 HH12 ARG 55 HH12 ARG 55 5.663 15.833 1.757 412 HH21 ARG 55 HH21 ARG 55 6.968 12.749 2.764 413 HH22 ARG 55 HH22 ARG 55 7.291 14.438 2.565 414 H GLY 56 H GLY 56 -1.125 13.310 -1.613 415 HA2 GLY 56 HA2 GLY 56 -0.572 14.471 -4.244 416 HA3 GLY 56 HA3 GLY 56 -1.762 13.226 -3.890 417 H GLY 57 H GLY 57 -1.780 16.012 -5.208 418 HA2 GLY 57 HA2 GLY 57 -3.215 17.866 -3.777 419 HA3 GLY 57 HA3 GLY 57 -3.412 17.607 -5.504 420 H LYS 58 H LYS 58 -4.450 14.961 -5.360 421 HA LYS 58 HA LYS 58 -7.173 15.608 -4.547 422 HB2 LYS 58 HB2 LYS 58 -5.969 14.017 -6.610 423 HB3 LYS 58 HB3 LYS 58 -7.050 13.008 -5.658 424 HG2 LYS 58 HG2 LYS 58 -8.568 13.778 -7.134 425 HG3 LYS 58 HG3 LYS 58 -8.641 15.127 -5.998 426 HD2 LYS 58 HD2 LYS 58 -6.703 15.134 -8.286 427 HD3 LYS 58 HD3 LYS 58 -8.378 15.641 -8.512 428 HE2 LYS 58 HE2 LYS 58 -6.448 16.808 -6.509 429 HE3 LYS 58 HE3 LYS 58 -6.880 17.538 -8.055 430 HZ1 LYS 58 HZ1 LYS 58 -9.260 16.992 -6.758 431 HZ2 LYS 58 HZ2 LYS 58 -8.562 18.510 -7.019 432 HZ3 LYS 58 HZ3 LYS 58 -8.249 17.671 -5.584 433 H GLY 59 H GLY 59 -4.492 13.713 -3.512 434 HA2 GLY 59 HA2 GLY 59 -5.100 13.174 -0.999 435 HA3 GLY 59 HA3 GLY 59 -6.149 12.017 -1.804 436 HA PRO 60 HA PRO 60 -2.832 9.140 -1.725 437 HB2 PRO 60 HB2 PRO 60 -3.611 7.503 -3.746 438 HB3 PRO 60 HB3 PRO 60 -4.410 7.530 -2.170 439 HG2 PRO 60 HG2 PRO 60 -5.226 8.850 -4.730 440 HG3 PRO 60 HG3 PRO 60 -6.225 7.979 -3.552 441 HD2 PRO 60 HD2 PRO 60 -6.108 10.682 -3.646 442 HD3 PRO 60 HD3 PRO 60 -6.352 9.789 -2.131 443 H GLN 61 H GLN 61 -0.882 9.839 -2.373 444 HA GLN 61 HA GLN 61 -0.449 10.248 -5.259 445 HB2 GLN 61 HB2 GLN 61 0.098 12.332 -4.564 446 HB3 GLN 61 HB3 GLN 61 0.374 11.818 -2.905 447 HG2 GLN 61 HG2 GLN 61 2.566 10.994 -3.481 448 HG3 GLN 61 HG3 GLN 61 2.292 11.372 -5.181 449 HE21 GLN 61 HE21 GLN 61 3.931 12.367 -2.617 450 HE22 GLN 61 HE22 GLN 61 3.988 14.070 -2.901 451 H ALA 62 H ALA 62 1.656 9.662 -6.084 452 HA ALA 62 HA ALA 62 2.565 7.162 -4.994 453 HB1 ALA 62 HB1 ALA 62 2.423 7.340 -7.370 454 HB2 ALA 62 HB2 ALA 62 3.459 8.767 -7.380 455 HB3 ALA 62 HB3 ALA 62 4.128 7.195 -6.942 456 H LYS 63 H LYS 63 3.099 8.646 -2.964 457 HA LYS 63 HA LYS 63 5.229 10.295 -2.710 458 HB2 LYS 63 HB2 LYS 63 3.902 9.673 -0.794 459 HB3 LYS 63 HB3 LYS 63 4.455 8.007 -0.895 460 HG2 LYS 63 HG2 LYS 63 6.811 9.346 -0.662 461 HG3 LYS 63 HG3 LYS 63 5.730 10.346 0.311 462 HD2 LYS 63 HD2 LYS 63 6.826 8.600 1.649 463 HD3 LYS 63 HD3 LYS 63 5.072 8.404 1.616 464 HE2 LYS 63 HE2 LYS 63 5.292 6.352 0.798 465 HE3 LYS 63 HE3 LYS 63 6.205 6.972 -0.576 466 HZ1 LYS 63 HZ1 LYS 63 7.346 5.266 0.872 467 HZ2 LYS 63 HZ2 LYS 63 7.467 6.471 2.053 468 HZ3 LYS 63 HZ3 LYS 63 8.221 6.679 0.553 469 H LYS 64 H LYS 64 5.353 6.797 -3.128 470 HA LYS 64 HA LYS 64 8.235 7.040 -3.668 471 HB2 LYS 64 HB2 LYS 64 7.618 5.969 -1.408 472 HB3 LYS 64 HB3 LYS 64 7.050 4.603 -2.359 473 HG2 LYS 64 HG2 LYS 64 9.128 3.831 -2.185 474 HG3 LYS 64 HG3 LYS 64 9.548 5.048 -3.393 475 HD2 LYS 64 HD2 LYS 64 10.961 5.895 -1.891 476 HD3 LYS 64 HD3 LYS 64 9.545 6.434 -0.985 477 HE2 LYS 64 HE2 LYS 64 9.540 4.153 0.107 478 HE3 LYS 64 HE3 LYS 64 11.121 3.894 -0.628 479 HZ1 LYS 64 HZ1 LYS 64 12.098 5.164 0.896 480 HZ2 LYS 64 HZ2 LYS 64 10.658 5.069 1.779 481 HZ3 LYS 64 HZ3 LYS 64 10.942 6.392 0.763 482 H VAL 65 H VAL 65 8.435 6.699 -5.784 483 HA VAL 65 HA VAL 65 6.794 4.603 -7.040 484 HB VAL 65 HB VAL 65 7.581 7.251 -7.900 485 HG11 VAL 65 HG11 VAL 65 8.236 4.958 -9.745 486 HG12 VAL 65 HG12 VAL 65 8.093 6.643 -10.249 487 HG13 VAL 65 HG13 VAL 65 9.354 6.165 -9.112 488 HG21 VAL 65 HG21 VAL 65 5.314 5.930 -7.878 489 HG22 VAL 65 HG22 VAL 65 5.640 7.133 -9.125 490 HG23 VAL 65 HG23 VAL 65 5.841 5.418 -9.481 491 H ARG 66 H ARG 66 7.730 2.966 -8.193 492 HA ARG 66 HA ARG 66 10.667 2.907 -8.322 493 HB2 ARG 66 HB2 ARG 66 8.808 0.906 -7.115 494 HB3 ARG 66 HB3 ARG 66 10.256 0.324 -7.926 495 HG2 ARG 66 HG2 ARG 66 10.611 2.511 -5.970 496 HG3 ARG 66 HG3 ARG 66 10.186 0.921 -5.333 497 HD2 ARG 66 HD2 ARG 66 12.429 1.328 -7.292 498 HD3 ARG 66 HD3 ARG 66 12.664 1.457 -5.549 499 HE ARG 66 HE ARG 66 11.482 -0.949 -5.808 500 HH11 ARG 66 HH11 ARG 66 14.212 0.522 -7.390 501 HH12 ARG 66 HH12 ARG 66 15.034 -0.981 -7.654 502 HH21 ARG 66 HH21 ARG 66 12.554 -2.933 -6.149 503 HH22 ARG 66 HH22 ARG 66 14.089 -2.945 -6.948 504 H ARG 67 H ARG 67 11.544 1.983 -10.132 505 HA ARG 67 HA ARG 67 9.796 1.700 -12.398 506 HB2 ARG 67 HB2 ARG 67 11.785 1.542 -13.713 507 HB3 ARG 67 HB3 ARG 67 12.067 2.770 -12.485 508 HG2 ARG 67 HG2 ARG 67 13.322 1.141 -11.154 509 HG3 ARG 67 HG3 ARG 67 13.056 -0.073 -12.407 510 HD2 ARG 67 HD2 ARG 67 14.385 2.564 -12.970 511 HD3 ARG 67 HD3 ARG 67 15.289 1.148 -12.434 512 HE ARG 67 HE ARG 67 13.817 0.291 -14.584 513 HH11 ARG 67 HH11 ARG 67 16.188 2.775 -14.007 514 HH12 ARG 67 HH12 ARG 67 16.809 2.739 -15.624 515 HH21 ARG 67 HH21 ARG 67 14.627 0.235 -16.716 516 HH22 ARG 67 HH22 ARG 67 15.920 1.295 -17.164 517 H ILE 68 H ILE 68 9.105 -0.123 -13.356 518 HA ILE 68 HA ILE 68 10.306 -2.684 -12.592 519 HB ILE 68 HB ILE 68 7.315 -2.349 -12.659 520 HG12 ILE 68 HG12 ILE 68 8.398 -0.957 -10.848 521 HG13 ILE 68 HG13 ILE 68 7.272 -2.183 -10.276 522 HG21 ILE 68 HG21 ILE 68 9.202 -4.520 -11.804 523 HG22 ILE 68 HG22 ILE 68 7.527 -4.475 -11.254 524 HG23 ILE 68 HG23 ILE 68 7.887 -4.596 -12.977 525 HD11 ILE 68 HD11 ILE 68 8.884 -3.367 -9.236 526 HD12 ILE 68 HD12 ILE 68 10.110 -2.971 -10.440 527 HD13 ILE 68 HD13 ILE 68 9.676 -1.792 -9.202 Start of MODEL 16 1 H1 MET 1 H MET 1 1.440 1.669 -0.304 2 HA MET 1 HA MET 1 3.234 0.545 -2.042 3 HB2 MET 1 HB2 MET 1 1.551 -0.940 -0.016 4 HB3 MET 1 HB3 MET 1 3.061 -1.511 -0.713 5 HG2 MET 1 HG2 MET 1 4.338 -0.113 0.547 6 HG3 MET 1 HG3 MET 1 3.080 1.115 0.659 7 HE1 MET 1 HE1 MET 1 4.050 -0.187 4.355 8 HE2 MET 1 HE2 MET 1 5.123 -0.326 2.962 9 HE3 MET 1 HE3 MET 1 4.219 1.165 3.234 10 H LYS 2 H LYS 2 1.641 1.022 -3.963 11 HA LYS 2 HA LYS 2 0.351 -1.534 -4.659 12 HB2 LYS 2 HB2 LYS 2 -0.522 1.276 -5.338 13 HB3 LYS 2 HB3 LYS 2 -1.173 -0.155 -6.126 14 HG2 LYS 2 HG2 LYS 2 -1.350 0.493 -3.191 15 HG3 LYS 2 HG3 LYS 2 -2.656 0.610 -4.372 16 HD2 LYS 2 HD2 LYS 2 -2.429 -1.828 -4.784 17 HD3 LYS 2 HD3 LYS 2 -1.227 -1.899 -3.493 18 HE2 LYS 2 HE2 LYS 2 -3.216 -2.537 -2.451 19 HE3 LYS 2 HE3 LYS 2 -3.035 -0.838 -2.018 20 HZ1 LYS 2 HZ1 LYS 2 -5.298 -1.736 -2.887 21 HZ2 LYS 2 HZ2 LYS 2 -4.586 -1.544 -4.410 22 HZ3 LYS 2 HZ3 LYS 2 -4.749 -0.213 -3.379 23 H LYS 3 H LYS 3 0.376 -2.091 -6.923 24 HA LYS 3 HA LYS 3 2.462 -0.724 -8.481 25 HB2 LYS 3 HB2 LYS 3 2.144 -3.715 -8.529 26 HB3 LYS 3 HB3 LYS 3 3.496 -2.748 -9.102 27 HG2 LYS 3 HG2 LYS 3 3.776 -2.081 -6.626 28 HG3 LYS 3 HG3 LYS 3 2.763 -3.490 -6.300 29 HD2 LYS 3 HD2 LYS 3 5.263 -3.603 -7.978 30 HD3 LYS 3 HD3 LYS 3 5.251 -3.896 -6.237 31 HE2 LYS 3 HE2 LYS 3 3.304 -5.566 -6.925 32 HE3 LYS 3 HE3 LYS 3 4.171 -5.546 -8.459 33 HZ1 LYS 3 HZ1 LYS 3 5.248 -7.229 -7.399 34 HZ2 LYS 3 HZ2 LYS 3 5.025 -6.575 -5.855 35 HZ3 LYS 3 HZ3 LYS 3 6.209 -5.936 -6.881 36 H GLY 4 H GLY 4 2.033 -0.443 -10.614 37 HA2 GLY 4 HA2 GLY 4 0.102 -2.016 -12.030 38 HA3 GLY 4 HA3 GLY 4 -0.527 -0.433 -11.599 39 H THR 5 H THR 5 -0.443 -0.968 -14.200 40 HA THR 5 HA THR 5 2.054 -0.078 -15.364 41 HB THR 5 HB THR 5 0.927 -0.331 -17.525 42 HG1 THR 5 HG1 THR 5 -1.320 -0.423 -15.879 43 HG21 THR 5 HG21 THR 5 1.292 -2.417 -15.581 44 HG22 THR 5 HG22 THR 5 1.559 -2.458 -17.324 45 HG23 THR 5 HG23 THR 5 -0.035 -2.827 -16.667 46 H VAL 6 H VAL 6 2.486 1.897 -16.216 47 HA VAL 6 HA VAL 6 0.753 4.077 -15.440 48 HB VAL 6 HB VAL 6 3.437 3.898 -15.565 49 HG11 VAL 6 HG11 VAL 6 3.367 3.769 -18.047 50 HG12 VAL 6 HG12 VAL 6 2.688 5.398 -18.072 51 HG13 VAL 6 HG13 VAL 6 4.311 5.126 -17.434 52 HG21 VAL 6 HG21 VAL 6 2.498 6.616 -16.138 53 HG22 VAL 6 HG22 VAL 6 1.606 5.788 -14.862 54 HG23 VAL 6 HG23 VAL 6 3.354 5.983 -14.732 55 H LYS 7 H LYS 7 -0.290 5.507 -16.794 56 HA LYS 7 HA LYS 7 -0.746 4.529 -19.519 57 HB2 LYS 7 HB2 LYS 7 -2.643 4.976 -17.839 58 HB3 LYS 7 HB3 LYS 7 -2.328 6.682 -18.131 59 HG2 LYS 7 HG2 LYS 7 -3.453 6.649 -20.043 60 HG3 LYS 7 HG3 LYS 7 -2.591 5.216 -20.608 61 HD2 LYS 7 HD2 LYS 7 -4.739 4.408 -20.494 62 HD3 LYS 7 HD3 LYS 7 -4.146 3.988 -18.885 63 HE2 LYS 7 HE2 LYS 7 -6.291 4.957 -18.592 64 HE3 LYS 7 HE3 LYS 7 -5.114 6.164 -18.077 65 HZ1 LYS 7 HZ1 LYS 7 -5.456 7.420 -19.993 66 HZ2 LYS 7 HZ2 LYS 7 -7.015 6.933 -19.553 67 HZ3 LYS 7 HZ3 LYS 7 -6.213 6.153 -20.821 68 H TRP 8 H TRP 8 0.447 7.269 -17.721 69 HA TRP 8 HA TRP 8 1.897 8.297 -19.900 70 HB2 TRP 8 HB2 TRP 8 0.690 10.175 -20.594 71 HB3 TRP 8 HB3 TRP 8 -0.551 8.932 -20.460 72 HD1 TRP 8 HD1 TRP 8 0.744 12.056 -18.620 73 HE1 TRP 8 HE1 TRP 8 -1.147 12.952 -17.121 74 HE3 TRP 8 HE3 TRP 8 -2.666 8.305 -19.283 75 HZ2 TRP 8 HZ2 TRP 8 -3.740 12.172 -16.325 76 HZ3 TRP 8 HZ3 TRP 8 -4.827 8.455 -18.117 77 HH2 TRP 8 HH2 TRP 8 -5.351 10.349 -16.668 78 H PHE 9 H PHE 9 3.463 9.649 -19.188 79 HA PHE 9 HA PHE 9 3.137 10.899 -16.553 80 HB2 PHE 9 HB2 PHE 9 4.376 8.951 -16.012 81 HB3 PHE 9 HB3 PHE 9 5.393 9.108 -17.440 82 HD1 PHE 9 HD1 PHE 9 4.609 10.655 -14.170 83 HD2 PHE 9 HD2 PHE 9 7.403 10.301 -17.360 84 HE1 PHE 9 HE1 PHE 9 6.279 11.876 -12.837 85 HE2 PHE 9 HE2 PHE 9 9.078 11.520 -16.033 86 HZ PHE 9 HZ PHE 9 8.518 12.309 -13.768 87 H ASN 10 H ASN 10 3.048 12.971 -17.268 88 HA ASN 10 HA ASN 10 4.668 14.006 -19.358 89 HB2 ASN 10 HB2 ASN 10 2.455 14.949 -18.607 90 HB3 ASN 10 HB3 ASN 10 3.279 15.584 -17.186 91 HD21 ASN 10 HD21 ASN 10 1.901 17.051 -19.233 92 HD22 ASN 10 HD22 ASN 10 3.058 18.112 -19.955 93 H ALA 11 H ALA 11 6.798 14.225 -19.226 94 HA ALA 11 HA ALA 11 8.122 14.565 -16.677 95 HB1 ALA 11 HB1 ALA 11 9.074 14.180 -19.494 96 HB2 ALA 11 HB2 ALA 11 10.189 14.629 -18.202 97 HB3 ALA 11 HB3 ALA 11 9.278 13.123 -18.096 98 H GLU 12 H GLU 12 7.248 16.521 -19.433 99 HA GLU 12 HA GLU 12 8.970 18.699 -18.988 100 HB2 GLU 12 HB2 GLU 12 7.826 18.514 -21.087 101 HB3 GLU 12 HB3 GLU 12 6.255 18.531 -20.296 102 HG2 GLU 12 HG2 GLU 12 6.276 20.785 -19.983 103 HG3 GLU 12 HG3 GLU 12 8.034 20.871 -19.900 104 H LYS 13 H LYS 13 5.563 18.251 -18.041 105 HA LYS 13 HA LYS 13 5.536 20.618 -16.431 106 HB2 LYS 13 HB2 LYS 13 3.600 18.306 -16.633 107 HB3 LYS 13 HB3 LYS 13 3.309 19.756 -15.681 108 HG2 LYS 13 HG2 LYS 13 3.990 20.109 -18.545 109 HG3 LYS 13 HG3 LYS 13 2.392 19.473 -18.147 110 HD2 LYS 13 HD2 LYS 13 3.477 21.937 -16.817 111 HD3 LYS 13 HD3 LYS 13 2.656 22.017 -18.378 112 HE2 LYS 13 HE2 LYS 13 0.824 20.615 -17.128 113 HE3 LYS 13 HE3 LYS 13 1.573 21.307 -15.690 114 HZ1 LYS 13 HZ1 LYS 13 0.309 23.077 -16.054 115 HZ2 LYS 13 HZ2 LYS 13 -0.169 22.531 -17.581 116 HZ3 LYS 13 HZ3 LYS 13 1.262 23.417 -17.410 117 H GLY 14 H GLY 14 6.107 17.210 -15.871 118 HA2 GLY 14 HA2 GLY 14 7.370 16.386 -14.053 119 HA3 GLY 14 HA3 GLY 14 7.008 17.859 -13.165 120 H TYR 15 H TYR 15 4.558 15.978 -14.809 121 HA TYR 15 HA TYR 15 3.667 14.838 -12.263 122 HB2 TYR 15 HB2 TYR 15 1.707 16.207 -14.095 123 HB3 TYR 15 HB3 TYR 15 1.463 15.675 -12.435 124 HD1 TYR 15 HD2 TYR 15 3.090 16.834 -10.679 125 HD2 TYR 15 HD1 TYR 15 2.049 18.457 -14.472 126 HE1 TYR 15 HE2 TYR 15 3.670 19.083 -9.869 127 HE2 TYR 15 HE1 TYR 15 2.627 20.710 -13.673 128 HH TYR 15 HH TYR 15 3.674 21.261 -10.327 129 H GLY 16 H GLY 16 1.784 13.291 -12.643 130 HA2 GLY 16 HA2 GLY 16 1.340 12.195 -15.217 131 HA3 GLY 16 HA3 GLY 16 2.568 11.260 -14.376 132 H PHE 17 H PHE 17 0.410 9.895 -15.046 133 HA PHE 17 HA PHE 17 -0.906 9.439 -12.473 134 HB2 PHE 17 HB2 PHE 17 -2.242 10.153 -15.037 135 HB3 PHE 17 HB3 PHE 17 -3.014 8.937 -14.025 136 HD1 PHE 17 HD2 PHE 17 -1.754 12.417 -14.051 137 HD2 PHE 17 HD1 PHE 17 -4.246 9.549 -12.132 138 HE1 PHE 17 HE2 PHE 17 -2.734 14.199 -12.666 139 HE2 PHE 17 HE1 PHE 17 -5.231 11.327 -10.745 140 HZ PHE 17 HZ PHE 17 -4.474 13.655 -11.010 141 H ILE 18 H ILE 18 -0.858 7.360 -11.929 142 HA ILE 18 HA ILE 18 -0.173 5.397 -14.001 143 HB ILE 18 HB ILE 18 -0.005 5.105 -10.999 144 HG12 ILE 18 HG12 ILE 18 2.354 5.335 -12.840 145 HG13 ILE 18 HG13 ILE 18 1.551 6.788 -12.254 146 HG21 ILE 18 HG21 ILE 18 0.797 3.335 -13.289 147 HG22 ILE 18 HG22 ILE 18 1.508 3.171 -11.684 148 HG23 ILE 18 HG23 ILE 18 -0.228 2.952 -11.905 149 HD11 ILE 18 HD11 ILE 18 1.887 5.779 -9.920 150 HD12 ILE 18 HD12 ILE 18 3.051 4.715 -10.710 151 HD13 ILE 18 HD13 ILE 18 3.284 6.463 -10.752 152 H GLN 19 H GLN 19 -1.233 3.358 -14.064 153 HA GLN 19 HA GLN 19 -3.977 3.452 -13.002 154 HB2 GLN 19 HB2 GLN 19 -3.018 1.809 -15.344 155 HB3 GLN 19 HB3 GLN 19 -4.680 2.135 -14.870 156 HG2 GLN 19 HG2 GLN 19 -2.698 3.995 -16.129 157 HG3 GLN 19 HG3 GLN 19 -4.283 3.503 -16.723 158 HE21 GLN 19 HE21 GLN 19 -2.658 6.007 -15.473 159 HE22 GLN 19 HE22 GLN 19 -3.944 6.858 -14.694 160 H GLN 20 H GLN 20 -4.710 1.844 -11.733 161 HA GLN 20 HA GLN 20 -3.032 -0.551 -11.420 162 HB2 GLN 20 HB2 GLN 20 -3.299 1.467 -9.517 163 HB3 GLN 20 HB3 GLN 20 -4.389 0.202 -8.966 164 HG2 GLN 20 HG2 GLN 20 -1.952 -1.015 -9.759 165 HG3 GLN 20 HG3 GLN 20 -1.575 0.350 -8.710 166 HE21 GLN 20 HE21 GLN 20 -3.701 0.359 -7.007 167 HE22 GLN 20 HE22 GLN 20 -3.707 -1.089 -6.065 168 H GLU 21 H GLU 21 -4.116 -2.461 -10.854 169 HA GLU 21 HA GLU 21 -6.896 -2.508 -11.683 170 HB2 GLU 21 HB2 GLU 21 -5.104 -4.804 -10.875 171 HB3 GLU 21 HB3 GLU 21 -6.661 -4.928 -11.682 172 HG2 GLU 21 HG2 GLU 21 -5.648 -3.615 -13.579 173 HG3 GLU 21 HG3 GLU 21 -4.089 -3.847 -12.790 174 H GLU 22 H GLU 22 -5.285 -2.084 -8.815 175 HA GLU 22 HA GLU 22 -7.532 -3.197 -7.266 176 HB2 GLU 22 HB2 GLU 22 -4.845 -2.663 -6.049 177 HB3 GLU 22 HB3 GLU 22 -6.106 -3.765 -5.512 178 HG2 GLU 22 HG2 GLU 22 -5.634 -5.142 -7.554 179 HG3 GLU 22 HG3 GLU 22 -4.231 -4.112 -7.834 180 H GLY 23 H GLY 23 -6.121 -0.397 -8.341 181 HA2 GLY 23 HA2 GLY 23 -7.802 1.340 -6.997 182 HA3 GLY 23 HA3 GLY 23 -6.335 1.257 -6.033 183 HA PRO 24 HA PRO 24 -5.126 3.120 -10.349 184 HB2 PRO 24 HB2 PRO 24 -7.199 3.978 -11.878 185 HB3 PRO 24 HB3 PRO 24 -6.529 2.346 -11.996 186 HG2 PRO 24 HG2 PRO 24 -8.970 3.291 -10.544 187 HG3 PRO 24 HG3 PRO 24 -8.752 1.840 -11.539 188 HD2 PRO 24 HD2 PRO 24 -8.688 1.774 -8.832 189 HD3 PRO 24 HD3 PRO 24 -7.721 0.675 -9.837 190 H ASP 25 H ASP 25 -6.076 5.408 -11.543 191 HA ASP 25 HA ASP 25 -6.089 7.663 -11.207 192 HB2 ASP 25 HB2 ASP 25 -8.214 6.621 -9.379 193 HB3 ASP 25 HB3 ASP 25 -7.797 8.331 -9.311 194 H VAL 26 H VAL 26 -3.888 7.676 -10.485 195 HA VAL 26 HA VAL 26 -3.654 8.424 -7.650 196 HB VAL 26 HB VAL 26 -2.633 6.078 -8.576 197 HG11 VAL 26 HG11 VAL 26 -0.288 7.962 -8.566 198 HG12 VAL 26 HG12 VAL 26 -0.313 6.251 -9.000 199 HG13 VAL 26 HG13 VAL 26 -1.090 7.440 -10.047 200 HG21 VAL 26 HG21 VAL 26 -2.853 6.903 -6.230 201 HG22 VAL 26 HG22 VAL 26 -1.370 6.001 -6.542 202 HG23 VAL 26 HG23 VAL 26 -1.327 7.761 -6.443 203 H PHE 27 H PHE 27 -2.261 10.096 -7.194 204 HA PHE 27 HA PHE 27 -1.404 11.667 -9.501 205 HB2 PHE 27 HB2 PHE 27 -2.684 12.424 -7.233 206 HB3 PHE 27 HB3 PHE 27 -1.014 12.752 -6.780 207 HD1 PHE 27 HD1 PHE 27 0.137 13.628 -9.330 208 HD2 PHE 27 HD2 PHE 27 -3.637 14.506 -7.569 209 HE1 PHE 27 HE1 PHE 27 0.057 15.752 -10.570 210 HE2 PHE 27 HE2 PHE 27 -3.724 16.631 -8.806 211 HZ PHE 27 HZ PHE 27 -1.876 17.256 -10.310 212 H VAL 28 H VAL 28 0.623 11.598 -10.181 213 HA VAL 28 HA VAL 28 2.761 11.088 -8.223 214 HB VAL 28 HB VAL 28 3.834 9.521 -9.537 215 HG11 VAL 28 HG11 VAL 28 1.234 8.674 -10.611 216 HG12 VAL 28 HG12 VAL 28 2.359 7.823 -9.551 217 HG13 VAL 28 HG13 VAL 28 1.251 9.022 -8.882 218 HG21 VAL 28 HG21 VAL 28 4.061 10.583 -11.604 219 HG22 VAL 28 HG22 VAL 28 3.110 9.145 -11.974 220 HG23 VAL 28 HG23 VAL 28 2.318 10.714 -11.834 221 H HIS 29 H HIS 29 4.648 12.220 -8.505 222 HA HIS 29 HA HIS 29 4.699 14.148 -10.734 223 HB2 HIS 29 HB2 HIS 29 5.841 14.695 -7.997 224 HB3 HIS 29 HB3 HIS 29 5.546 15.843 -9.300 225 HD1 HIS 29 HD1 HIS 29 4.383 15.940 -6.307 226 HD2 HIS 29 HD2 HIS 29 2.347 14.811 -9.748 227 HE1 HIS 29 HE1 HIS 29 1.948 16.306 -5.798 228 H PHE 30 H PHE 30 6.836 14.872 -11.381 229 HA PHE 30 HA PHE 30 8.618 12.785 -11.839 230 HB2 PHE 30 HB2 PHE 30 10.039 14.374 -12.848 231 HB3 PHE 30 HB3 PHE 30 8.418 15.026 -13.066 232 HD1 PHE 30 HD2 PHE 30 7.630 16.630 -11.110 233 HD2 PHE 30 HD1 PHE 30 11.681 15.791 -12.109 234 HE1 PHE 30 HE2 PHE 30 8.327 18.728 -10.031 235 HE2 PHE 30 HE1 PHE 30 12.385 17.888 -11.031 236 HZ PHE 30 HZ PHE 30 10.707 19.359 -9.989 237 H THR 31 H THR 31 8.281 14.860 -9.111 238 HA THR 31 HA THR 31 10.917 14.162 -8.064 239 HB THR 31 HB THR 31 10.120 16.499 -7.838 240 HG1 THR 31 HG1 THR 31 11.468 16.305 -6.215 241 HG21 THR 31 HG21 THR 31 7.709 15.363 -7.152 242 HG22 THR 31 HG22 THR 31 8.141 17.060 -6.942 243 HG23 THR 31 HG23 THR 31 8.330 15.930 -5.602 244 H ALA 32 H ALA 32 8.500 12.314 -8.353 245 HA ALA 32 HA ALA 32 8.444 11.397 -5.550 246 HB1 ALA 32 HB1 ALA 32 6.264 10.360 -7.137 247 HB2 ALA 32 HB2 ALA 32 6.227 11.236 -5.606 248 HB3 ALA 32 HB3 ALA 32 6.274 12.124 -7.129 249 H ILE 33 H ILE 33 9.492 10.722 -8.650 250 HA ILE 33 HA ILE 33 9.256 7.840 -8.480 251 HB ILE 33 HB ILE 33 10.650 9.603 -10.495 252 HG12 ILE 33 HG12 ILE 33 8.679 8.332 -11.840 253 HG13 ILE 33 HG13 ILE 33 7.940 8.432 -10.245 254 HG21 ILE 33 HG21 ILE 33 10.879 6.772 -9.997 255 HG22 ILE 33 HG22 ILE 33 10.227 7.084 -11.605 256 HG23 ILE 33 HG23 ILE 33 11.770 7.790 -11.128 257 HD11 ILE 33 HD11 ILE 33 8.685 10.940 -10.413 258 HD12 ILE 33 HD12 ILE 33 8.660 10.597 -12.143 259 HD13 ILE 33 HD13 ILE 33 7.201 10.373 -11.179 260 H GLU 34 H GLU 34 10.755 6.470 -7.737 261 HA GLU 34 HA GLU 34 13.388 7.582 -7.017 262 HB2 GLU 34 HB2 GLU 34 12.103 5.191 -5.708 263 HB3 GLU 34 HB3 GLU 34 13.468 6.140 -5.135 264 HG2 GLU 34 HG2 GLU 34 11.370 7.957 -5.367 265 HG3 GLU 34 HG3 GLU 34 10.654 6.505 -4.670 266 H ALA 35 H ALA 35 14.295 7.051 -9.041 267 HA ALA 35 HA ALA 35 14.712 4.160 -9.448 268 HB1 ALA 35 HB1 ALA 35 13.388 4.919 -11.264 269 HB2 ALA 35 HB2 ALA 35 14.405 6.341 -11.499 270 HB3 ALA 35 HB3 ALA 35 15.033 4.736 -11.875 271 H ASP 36 H ASP 36 16.727 3.958 -11.070 272 HA ASP 36 HA ASP 36 18.936 5.225 -9.635 273 HB2 ASP 36 HB2 ASP 36 18.621 2.752 -11.269 274 HB3 ASP 36 HB3 ASP 36 20.211 3.508 -11.221 275 H GLY 37 H GLY 37 18.431 7.299 -10.720 276 HA2 GLY 37 HA2 GLY 37 20.110 8.425 -12.302 277 HA3 GLY 37 HA3 GLY 37 19.378 7.379 -13.510 278 H PHE 38 H PHE 38 17.885 8.316 -14.718 279 HA PHE 38 HA PHE 38 16.805 10.878 -14.009 280 HB2 PHE 38 HB2 PHE 38 16.386 9.037 -16.361 281 HB3 PHE 38 HB3 PHE 38 15.513 10.556 -16.185 282 HD1 PHE 38 HD2 PHE 38 17.246 12.560 -15.466 283 HD2 PHE 38 HD1 PHE 38 18.148 9.123 -17.809 284 HE1 PHE 38 HE2 PHE 38 19.128 13.763 -16.500 285 HE2 PHE 38 HE1 PHE 38 20.031 10.320 -18.846 286 HZ PHE 38 HZ PHE 38 20.524 12.642 -18.191 287 H ARG 39 H ARG 39 15.234 11.040 -12.552 288 HA ARG 39 HA ARG 39 13.467 8.943 -11.863 289 HB2 ARG 39 HB2 ARG 39 13.475 11.897 -11.268 290 HB3 ARG 39 HB3 ARG 39 12.211 10.829 -10.673 291 HG2 ARG 39 HG2 ARG 39 13.648 10.871 -8.890 292 HG3 ARG 39 HG3 ARG 39 14.212 9.437 -9.750 293 HD2 ARG 39 HD2 ARG 39 16.029 10.649 -10.719 294 HD3 ARG 39 HD3 ARG 39 15.397 12.181 -10.119 295 HE ARG 39 HE ARG 39 17.006 10.312 -8.686 296 HH11 ARG 39 HH11 ARG 39 14.494 12.697 -8.338 297 HH12 ARG 39 HH12 ARG 39 14.884 13.057 -6.688 298 HH21 ARG 39 HH21 ARG 39 17.529 10.776 -6.515 299 HH22 ARG 39 HH22 ARG 39 16.611 11.964 -5.653 300 H THR 40 H THR 40 12.134 8.164 -13.394 301 HA THR 40 HA THR 40 9.830 9.582 -14.145 302 HB THR 40 HB THR 40 11.098 10.857 -15.687 303 HG1 THR 40 HG1 THR 40 10.024 10.333 -17.516 304 HG21 THR 40 HG21 THR 40 12.578 9.792 -17.380 305 HG22 THR 40 HG22 THR 40 12.356 8.252 -16.550 306 HG23 THR 40 HG23 THR 40 13.150 9.592 -15.725 307 H LEU 41 H LEU 41 8.419 8.337 -15.572 308 HA LEU 41 HA LEU 41 9.077 5.471 -15.477 309 HB2 LEU 41 HB2 LEU 41 6.319 6.611 -15.779 310 HB3 LEU 41 HB3 LEU 41 6.788 4.993 -15.260 311 HG LEU 41 HG LEU 41 7.163 7.524 -13.658 312 HD11 LEU 41 HD11 LEU 41 5.061 5.396 -13.663 313 HD12 LEU 41 HD12 LEU 41 4.879 7.149 -13.591 314 HD13 LEU 41 HD13 LEU 41 5.458 6.264 -12.180 315 HD21 LEU 41 HD21 LEU 41 7.296 5.099 -12.153 316 HD22 LEU 41 HD22 LEU 41 8.511 6.365 -12.332 317 HD23 LEU 41 HD23 LEU 41 8.455 5.026 -13.480 318 H ASN 42 H ASN 42 7.406 4.337 -17.181 319 HA ASN 42 HA ASN 42 7.774 5.696 -19.763 320 HB2 ASN 42 HB2 ASN 42 8.265 2.750 -19.284 321 HB3 ASN 42 HB3 ASN 42 8.484 3.620 -20.799 322 HD21 ASN 42 HD21 ASN 42 9.950 2.548 -17.987 323 HD22 ASN 42 HD22 ASN 42 11.428 3.432 -18.112 324 H GLU 43 H GLU 43 5.991 5.767 -20.970 325 HA GLU 43 HA GLU 43 3.506 4.896 -20.065 326 HB2 GLU 43 HB2 GLU 43 3.703 6.680 -21.691 327 HB3 GLU 43 HB3 GLU 43 4.407 5.579 -22.867 328 HG2 GLU 43 HG2 GLU 43 2.255 4.291 -22.801 329 HG3 GLU 43 HG3 GLU 43 1.584 5.606 -21.837 330 H GLY 44 H GLY 44 2.608 2.950 -19.976 331 HA2 GLY 44 HA2 GLY 44 1.896 0.886 -20.848 332 HA3 GLY 44 HA3 GLY 44 3.137 1.005 -22.086 333 H GLU 45 H GLU 45 4.485 1.755 -19.135 334 HA GLU 45 HA GLU 45 5.549 -0.975 -18.881 335 HB2 GLU 45 HB2 GLU 45 7.182 0.828 -19.383 336 HB3 GLU 45 HB3 GLU 45 6.736 1.618 -17.878 337 HG2 GLU 45 HG2 GLU 45 7.840 0.105 -16.588 338 HG3 GLU 45 HG3 GLU 45 7.620 -1.208 -17.743 339 H HIS 46 H HIS 46 6.071 -1.722 -16.692 340 HA HIS 46 HA HIS 46 3.900 -1.071 -14.867 341 HB2 HIS 46 HB2 HIS 46 6.008 -3.159 -14.379 342 HB3 HIS 46 HB3 HIS 46 4.350 -3.110 -13.786 343 HD1 HIS 46 HD1 HIS 46 2.520 -4.036 -15.313 344 HD2 HIS 46 HD2 HIS 46 6.303 -4.098 -17.028 345 HE1 HIS 46 HE1 HIS 46 2.298 -5.451 -17.380 346 H VAL 47 H VAL 47 4.146 -0.270 -12.811 347 HA VAL 47 HA VAL 47 6.761 0.185 -11.681 348 HB VAL 47 HB VAL 47 6.227 2.694 -11.410 349 HG11 VAL 47 HG11 VAL 47 7.837 1.308 -13.110 350 HG12 VAL 47 HG12 VAL 47 6.901 2.294 -14.234 351 HG13 VAL 47 HG13 VAL 47 7.824 3.063 -12.942 352 HG21 VAL 47 HG21 VAL 47 4.624 3.675 -12.648 353 HG22 VAL 47 HG22 VAL 47 4.918 2.634 -14.041 354 HG23 VAL 47 HG23 VAL 47 3.929 2.056 -12.700 355 H GLU 48 H GLU 48 6.694 0.444 -9.492 356 HA GLU 48 HA GLU 48 4.056 0.193 -8.255 357 HB2 GLU 48 HB2 GLU 48 5.495 -1.509 -7.502 358 HB3 GLU 48 HB3 GLU 48 6.851 -0.405 -7.325 359 HG2 GLU 48 HG2 GLU 48 5.773 0.647 -5.420 360 HG3 GLU 48 HG3 GLU 48 4.378 -0.413 -5.610 361 H PHE 49 H PHE 49 3.123 1.835 -7.237 362 HA PHE 49 HA PHE 49 4.808 4.108 -6.411 363 HB2 PHE 49 HB2 PHE 49 2.714 5.496 -6.768 364 HB3 PHE 49 HB3 PHE 49 3.474 4.868 -8.226 365 HD1 PHE 49 HD1 PHE 49 2.473 2.907 -9.384 366 HD2 PHE 49 HD2 PHE 49 0.511 4.901 -6.176 367 HE1 PHE 49 HE1 PHE 49 0.341 1.878 -10.053 368 HE2 PHE 49 HE2 PHE 49 -1.625 3.875 -6.840 369 HZ PHE 49 HZ PHE 49 -1.712 2.362 -8.781 370 H GLU 50 H GLU 50 4.405 5.067 -4.435 371 HA GLU 50 HA GLU 50 2.738 3.480 -2.613 372 HB2 GLU 50 HB2 GLU 50 5.349 4.528 -2.393 373 HB3 GLU 50 HB3 GLU 50 4.353 5.445 -1.271 374 HG2 GLU 50 HG2 GLU 50 3.557 2.861 -0.814 375 HG3 GLU 50 HG3 GLU 50 5.282 2.692 -1.132 376 H VAL 51 H VAL 51 0.718 4.331 -2.785 377 HA VAL 51 HA VAL 51 0.093 7.051 -3.093 378 HB VAL 51 HB VAL 51 -2.186 6.429 -2.332 379 HG11 VAL 51 HG11 VAL 51 -0.876 5.701 -4.638 380 HG12 VAL 51 HG12 VAL 51 -1.641 4.197 -4.122 381 HG13 VAL 51 HG13 VAL 51 -2.619 5.642 -4.378 382 HG21 VAL 51 HG21 VAL 51 -2.521 4.676 -1.012 383 HG22 VAL 51 HG22 VAL 51 -1.879 3.597 -2.251 384 HG23 VAL 51 HG23 VAL 51 -0.795 4.318 -1.062 385 H GLU 52 H GLU 52 0.391 8.665 -1.718 386 HA GLU 52 HA GLU 52 0.453 8.077 1.164 387 HB2 GLU 52 HB2 GLU 52 2.071 9.752 -0.564 388 HB3 GLU 52 HB3 GLU 52 1.406 10.675 0.776 389 HG2 GLU 52 HG2 GLU 52 3.698 9.520 1.042 390 HG3 GLU 52 HG3 GLU 52 2.533 9.446 2.363 391 HA PRO 53 HA PRO 53 -3.159 10.446 1.935 392 HB2 PRO 53 HB2 PRO 53 -2.566 11.587 4.326 393 HB3 PRO 53 HB3 PRO 53 -2.931 9.866 4.146 394 HG2 PRO 53 HG2 PRO 53 -0.273 11.225 4.364 395 HG3 PRO 53 HG3 PRO 53 -0.834 9.734 5.142 396 HD2 PRO 53 HD2 PRO 53 0.747 9.725 2.944 397 HD3 PRO 53 HD3 PRO 53 -0.460 8.461 3.256 398 H GLY 54 H GLY 54 -1.126 12.654 3.699 399 HA2 GLY 54 HA2 GLY 54 -2.106 14.878 2.163 400 HA3 GLY 54 HA3 GLY 54 -0.999 14.957 3.525 401 H ARG 55 H ARG 55 -0.912 13.534 0.253 402 HA ARG 55 HA ARG 55 1.559 15.049 -0.239 403 HB2 ARG 55 HB2 ARG 55 1.088 12.103 -0.565 404 HB3 ARG 55 HB3 ARG 55 2.255 12.932 -1.586 405 HG2 ARG 55 HG2 ARG 55 2.329 13.024 1.418 406 HG3 ARG 55 HG3 ARG 55 3.197 11.828 0.454 407 HD2 ARG 55 HD2 ARG 55 4.580 13.452 -0.518 408 HD3 ARG 55 HD3 ARG 55 3.515 14.772 -0.033 409 HE ARG 55 HE ARG 55 4.456 13.492 2.273 410 HH11 ARG 55 HH11 ARG 55 5.638 15.451 -0.351 411 HH12 ARG 55 HH12 ARG 55 6.921 16.153 0.578 412 HH21 ARG 55 HH21 ARG 55 6.141 14.409 3.507 413 HH22 ARG 55 HH22 ARG 55 7.207 15.558 2.772 414 H GLY 56 H GLY 56 -1.144 13.232 -1.629 415 HA2 GLY 56 HA2 GLY 56 -0.673 14.441 -4.245 416 HA3 GLY 56 HA3 GLY 56 -1.861 13.201 -3.870 417 H GLY 57 H GLY 57 -1.817 16.067 -5.110 418 HA2 GLY 57 HA2 GLY 57 -3.257 17.870 -3.633 419 HA3 GLY 57 HA3 GLY 57 -3.444 17.674 -5.370 420 H LYS 58 H LYS 58 -4.441 14.937 -5.145 421 HA LYS 58 HA LYS 58 -7.186 15.605 -4.369 422 HB2 LYS 58 HB2 LYS 58 -5.956 13.690 -6.296 423 HB3 LYS 58 HB3 LYS 58 -7.517 13.274 -5.600 424 HG2 LYS 58 HG2 LYS 58 -8.309 14.408 -7.366 425 HG3 LYS 58 HG3 LYS 58 -7.995 15.816 -6.348 426 HD2 LYS 58 HD2 LYS 58 -6.972 16.403 -8.342 427 HD3 LYS 58 HD3 LYS 58 -5.628 15.739 -7.410 428 HE2 LYS 58 HE2 LYS 58 -5.331 14.661 -9.413 429 HE3 LYS 58 HE3 LYS 58 -6.347 13.497 -8.565 430 HZ1 LYS 58 HZ1 LYS 58 -8.278 14.652 -9.678 431 HZ2 LYS 58 HZ2 LYS 58 -7.280 13.732 -10.686 432 HZ3 LYS 58 HZ3 LYS 58 -7.142 15.418 -10.671 433 H GLY 59 H GLY 59 -4.511 13.618 -3.477 434 HA2 GLY 59 HA2 GLY 59 -5.117 12.968 -0.977 435 HA3 GLY 59 HA3 GLY 59 -6.154 11.845 -1.844 436 HA PRO 60 HA PRO 60 -2.816 8.994 -1.918 437 HB2 PRO 60 HB2 PRO 60 -3.563 7.477 -4.042 438 HB3 PRO 60 HB3 PRO 60 -4.377 7.402 -2.475 439 HG2 PRO 60 HG2 PRO 60 -5.179 8.869 -4.958 440 HG3 PRO 60 HG3 PRO 60 -6.183 7.920 -3.845 441 HD2 PRO 60 HD2 PRO 60 -6.086 10.625 -3.774 442 HD3 PRO 60 HD3 PRO 60 -6.337 9.640 -2.318 443 H GLN 61 H GLN 61 -0.837 9.601 -2.530 444 HA GLN 61 HA GLN 61 -0.393 10.254 -5.369 445 HB2 GLN 61 HB2 GLN 61 0.045 12.287 -4.377 446 HB3 GLN 61 HB3 GLN 61 0.607 11.556 -2.879 447 HG2 GLN 61 HG2 GLN 61 2.702 10.976 -3.866 448 HG3 GLN 61 HG3 GLN 61 2.140 11.466 -5.464 449 HE21 GLN 61 HE21 GLN 61 4.188 12.351 -3.219 450 HE22 GLN 61 HE22 GLN 61 4.097 14.073 -3.323 451 H ALA 62 H ALA 62 1.724 9.719 -6.215 452 HA ALA 62 HA ALA 62 2.595 7.132 -5.310 453 HB1 ALA 62 HB1 ALA 62 3.336 8.907 -7.607 454 HB2 ALA 62 HB2 ALA 62 4.280 7.465 -7.229 455 HB3 ALA 62 HB3 ALA 62 2.568 7.319 -7.628 456 H LYS 63 H LYS 63 3.101 8.553 -3.185 457 HA LYS 63 HA LYS 63 5.270 10.117 -2.810 458 HB2 LYS 63 HB2 LYS 63 4.022 9.556 -0.896 459 HB3 LYS 63 HB3 LYS 63 4.236 7.829 -1.154 460 HG2 LYS 63 HG2 LYS 63 5.550 8.666 0.737 461 HG3 LYS 63 HG3 LYS 63 6.567 7.988 -0.537 462 HD2 LYS 63 HD2 LYS 63 7.562 10.033 0.257 463 HD3 LYS 63 HD3 LYS 63 6.956 10.289 -1.381 464 HE2 LYS 63 HE2 LYS 63 6.376 12.195 -0.047 465 HE3 LYS 63 HE3 LYS 63 4.904 11.292 -0.401 466 HZ1 LYS 63 HZ1 LYS 63 4.557 11.426 1.785 467 HZ2 LYS 63 HZ2 LYS 63 6.163 11.827 2.131 468 HZ3 LYS 63 HZ3 LYS 63 5.721 10.207 1.931 469 H LYS 64 H LYS 64 5.351 6.584 -3.145 470 HA LYS 64 HA LYS 64 8.225 6.801 -3.753 471 HB2 LYS 64 HB2 LYS 64 7.130 5.495 -1.559 472 HB3 LYS 64 HB3 LYS 64 7.429 4.200 -2.711 473 HG2 LYS 64 HG2 LYS 64 9.768 4.974 -2.913 474 HG3 LYS 64 HG3 LYS 64 9.443 6.179 -1.664 475 HD2 LYS 64 HD2 LYS 64 8.929 4.427 -0.068 476 HD3 LYS 64 HD3 LYS 64 9.141 3.196 -1.315 477 HE2 LYS 64 HE2 LYS 64 11.138 3.232 -0.030 478 HE3 LYS 64 HE3 LYS 64 11.505 4.010 -1.568 479 HZ1 LYS 64 HZ1 LYS 64 10.607 5.920 0.320 480 HZ2 LYS 64 HZ2 LYS 64 12.076 5.856 -0.514 481 HZ3 LYS 64 HZ3 LYS 64 11.905 5.043 0.959 482 H VAL 65 H VAL 65 8.318 6.541 -5.899 483 HA VAL 65 HA VAL 65 6.693 4.424 -7.135 484 HB VAL 65 HB VAL 65 7.483 7.078 -7.998 485 HG11 VAL 65 HG11 VAL 65 9.192 5.982 -9.280 486 HG12 VAL 65 HG12 VAL 65 8.044 4.774 -9.860 487 HG13 VAL 65 HG13 VAL 65 7.890 6.456 -10.371 488 HG21 VAL 65 HG21 VAL 65 5.192 5.835 -7.890 489 HG22 VAL 65 HG22 VAL 65 5.509 6.986 -9.189 490 HG23 VAL 65 HG23 VAL 65 5.649 5.254 -9.491 491 H ARG 66 H ARG 66 7.618 2.815 -8.348 492 HA ARG 66 HA ARG 66 10.553 2.764 -8.513 493 HB2 ARG 66 HB2 ARG 66 8.728 0.606 -7.467 494 HB3 ARG 66 HB3 ARG 66 10.347 0.253 -8.056 495 HG2 ARG 66 HG2 ARG 66 11.356 1.520 -6.344 496 HG3 ARG 66 HG3 ARG 66 9.823 2.271 -5.896 497 HD2 ARG 66 HD2 ARG 66 10.404 0.581 -4.271 498 HD3 ARG 66 HD3 ARG 66 8.985 0.065 -5.181 499 HE ARG 66 HE ARG 66 10.189 -1.710 -5.969 500 HH11 ARG 66 HH11 ARG 66 12.389 0.674 -4.706 501 HH12 ARG 66 HH12 ARG 66 13.786 -0.336 -4.873 502 HH21 ARG 66 HH21 ARG 66 12.022 -3.050 -6.194 503 HH22 ARG 66 HH22 ARG 66 13.576 -2.454 -5.721 504 H ARG 67 H ARG 67 11.419 1.698 -10.291 505 HA ARG 67 HA ARG 67 9.653 1.510 -12.564 506 HB2 ARG 67 HB2 ARG 67 12.632 1.195 -12.225 507 HB3 ARG 67 HB3 ARG 67 11.823 0.918 -13.761 508 HG2 ARG 67 HG2 ARG 67 10.865 3.375 -13.030 509 HG3 ARG 67 HG3 ARG 67 12.526 3.414 -12.435 510 HD2 ARG 67 HD2 ARG 67 12.657 2.259 -14.981 511 HD3 ARG 67 HD3 ARG 67 11.540 3.615 -15.131 512 HE ARG 67 HE ARG 67 13.296 5.054 -14.827 513 HH11 ARG 67 HH11 ARG 67 14.266 1.843 -13.894 514 HH12 ARG 67 HH12 ARG 67 15.936 2.262 -13.704 515 HH21 ARG 67 HH21 ARG 67 15.492 5.618 -14.581 516 HH22 ARG 67 HH22 ARG 67 16.633 4.410 -14.094 517 H ILE 68 H ILE 68 8.914 -0.291 -13.532 518 HA ILE 68 HA ILE 68 10.024 -2.888 -12.746 519 HB ILE 68 HB ILE 68 7.056 -2.342 -12.806 520 HG12 ILE 68 HG12 ILE 68 9.043 -2.040 -10.678 521 HG13 ILE 68 HG13 ILE 68 7.394 -1.432 -10.772 522 HG21 ILE 68 HG21 ILE 68 8.536 -4.763 -11.798 523 HG22 ILE 68 HG22 ILE 68 6.795 -4.572 -11.998 524 HG23 ILE 68 HG23 ILE 68 7.843 -4.637 -13.415 525 HD11 ILE 68 HD11 ILE 68 7.533 -2.885 -8.902 526 HD12 ILE 68 HD12 ILE 68 6.609 -3.719 -10.152 527 HD13 ILE 68 HD13 ILE 68 8.295 -4.151 -9.866 Start of MODEL 17 1 H1 MET 1 H MET 1 1.242 2.252 -0.285 2 HA MET 1 HA MET 1 2.958 0.639 -1.668 3 HB2 MET 1 HB2 MET 1 1.996 0.487 0.772 4 HB3 MET 1 HB3 MET 1 0.871 -0.652 0.045 5 HG2 MET 1 HG2 MET 1 2.510 -2.197 -0.408 6 HG3 MET 1 HG3 MET 1 3.792 -0.989 -0.420 7 HE1 MET 1 HE1 MET 1 5.477 -0.838 2.072 8 HE2 MET 1 HE2 MET 1 5.425 -2.579 2.349 9 HE3 MET 1 HE3 MET 1 5.384 -1.947 0.703 10 H LYS 2 H LYS 2 1.719 1.154 -3.818 11 HA LYS 2 HA LYS 2 0.193 -1.268 -4.486 12 HB2 LYS 2 HB2 LYS 2 -0.453 1.566 -5.308 13 HB3 LYS 2 HB3 LYS 2 -1.163 0.147 -6.067 14 HG2 LYS 2 HG2 LYS 2 -1.432 0.938 -3.173 15 HG3 LYS 2 HG3 LYS 2 -2.670 1.090 -4.422 16 HD2 LYS 2 HD2 LYS 2 -2.219 -1.492 -4.704 17 HD3 LYS 2 HD3 LYS 2 -1.645 -1.343 -3.041 18 HE2 LYS 2 HE2 LYS 2 -4.364 -0.530 -4.066 19 HE3 LYS 2 HE3 LYS 2 -4.003 -1.966 -3.109 20 HZ1 LYS 2 HZ1 LYS 2 -4.310 0.778 -2.269 21 HZ2 LYS 2 HZ2 LYS 2 -2.974 -0.005 -1.589 22 HZ3 LYS 2 HZ3 LYS 2 -4.524 -0.653 -1.392 23 H LYS 3 H LYS 3 0.355 -1.944 -6.690 24 HA LYS 3 HA LYS 3 2.571 -0.725 -8.193 25 HB2 LYS 3 HB2 LYS 3 2.141 -3.704 -8.061 26 HB3 LYS 3 HB3 LYS 3 3.537 -2.834 -8.685 27 HG2 LYS 3 HG2 LYS 3 3.693 -1.970 -6.207 28 HG3 LYS 3 HG3 LYS 3 2.777 -3.442 -5.877 29 HD2 LYS 3 HD2 LYS 3 5.209 -3.576 -7.606 30 HD3 LYS 3 HD3 LYS 3 5.392 -3.480 -5.853 31 HE2 LYS 3 HE2 LYS 3 4.238 -5.503 -5.519 32 HE3 LYS 3 HE3 LYS 3 3.594 -5.501 -7.160 33 HZ1 LYS 3 HZ1 LYS 3 5.283 -6.870 -7.595 34 HZ2 LYS 3 HZ2 LYS 3 6.122 -6.466 -6.184 35 HZ3 LYS 3 HZ3 LYS 3 6.266 -5.494 -7.561 36 H GLY 4 H GLY 4 2.244 -0.502 -10.344 37 HA2 GLY 4 HA2 GLY 4 0.461 -2.108 -11.864 38 HA3 GLY 4 HA3 GLY 4 -0.306 -0.586 -11.434 39 H THR 5 H THR 5 -0.035 -1.069 -14.041 40 HA THR 5 HA THR 5 2.441 0.014 -15.062 41 HB THR 5 HB THR 5 1.171 -0.078 -17.284 42 HG1 THR 5 HG1 THR 5 -0.918 -0.227 -16.005 43 HG21 THR 5 HG21 THR 5 2.759 -1.783 -16.782 44 HG22 THR 5 HG22 THR 5 1.298 -2.595 -17.347 45 HG23 THR 5 HG23 THR 5 1.669 -2.544 -15.624 46 H VAL 6 H VAL 6 2.743 2.001 -16.029 47 HA VAL 6 HA VAL 6 0.956 4.098 -15.148 48 HB VAL 6 HB VAL 6 3.617 4.067 -15.341 49 HG11 VAL 6 HG11 VAL 6 3.529 3.826 -17.811 50 HG12 VAL 6 HG12 VAL 6 2.772 5.418 -17.902 51 HG13 VAL 6 HG13 VAL 6 4.413 5.254 -17.274 52 HG21 VAL 6 HG21 VAL 6 3.529 6.263 -14.740 53 HG22 VAL 6 HG22 VAL 6 2.384 6.683 -16.013 54 HG23 VAL 6 HG23 VAL 6 1.822 5.860 -14.558 55 H LYS 7 H LYS 7 -0.197 5.501 -16.445 56 HA LYS 7 HA LYS 7 -0.774 4.501 -19.136 57 HB2 LYS 7 HB2 LYS 7 -2.586 4.945 -17.380 58 HB3 LYS 7 HB3 LYS 7 -2.288 6.654 -17.669 59 HG2 LYS 7 HG2 LYS 7 -4.033 6.279 -19.092 60 HG3 LYS 7 HG3 LYS 7 -2.667 5.985 -20.171 61 HD2 LYS 7 HD2 LYS 7 -3.768 3.694 -18.620 62 HD3 LYS 7 HD3 LYS 7 -4.687 4.289 -20.005 63 HE2 LYS 7 HE2 LYS 7 -2.384 4.149 -21.225 64 HE3 LYS 7 HE3 LYS 7 -1.971 3.043 -19.917 65 HZ1 LYS 7 HZ1 LYS 7 -4.153 2.757 -21.902 66 HZ2 LYS 7 HZ2 LYS 7 -4.034 1.791 -20.519 67 HZ3 LYS 7 HZ3 LYS 7 -2.812 1.748 -21.688 68 H TRP 8 H TRP 8 0.479 7.286 -17.442 69 HA TRP 8 HA TRP 8 1.810 8.288 -19.709 70 HB2 TRP 8 HB2 TRP 8 0.561 10.212 -20.296 71 HB3 TRP 8 HB3 TRP 8 -0.610 8.898 -20.235 72 HD1 TRP 8 HD1 TRP 8 0.546 11.930 -18.143 73 HE1 TRP 8 HE1 TRP 8 -1.417 12.671 -16.653 74 HE3 TRP 8 HE3 TRP 8 -2.758 8.185 -19.234 75 HZ2 TRP 8 HZ2 TRP 8 -4.022 11.785 -16.023 76 HZ3 TRP 8 HZ3 TRP 8 -4.964 8.205 -18.144 77 HH2 TRP 8 HH2 TRP 8 -5.581 9.968 -16.572 78 H PHE 9 H PHE 9 3.337 9.782 -19.145 79 HA PHE 9 HA PHE 9 3.153 11.031 -16.502 80 HB2 PHE 9 HB2 PHE 9 4.441 9.047 -16.070 81 HB3 PHE 9 HB3 PHE 9 5.456 9.337 -17.479 82 HD1 PHE 9 HD1 PHE 9 4.680 10.426 -14.059 83 HD2 PHE 9 HD2 PHE 9 7.279 10.873 -17.400 84 HE1 PHE 9 HE1 PHE 9 6.270 11.668 -12.651 85 HE2 PHE 9 HE2 PHE 9 8.874 12.116 -15.997 86 HZ PHE 9 HZ PHE 9 8.370 12.515 -13.620 87 H ASN 10 H ASN 10 2.993 13.087 -17.250 88 HA ASN 10 HA ASN 10 4.511 14.098 -19.434 89 HB2 ASN 10 HB2 ASN 10 2.313 15.026 -18.709 90 HB3 ASN 10 HB3 ASN 10 3.094 15.654 -17.261 91 HD21 ASN 10 HD21 ASN 10 1.775 17.335 -18.938 92 HD22 ASN 10 HD22 ASN 10 2.902 18.353 -19.763 93 H ALA 11 H ALA 11 6.652 14.283 -19.337 94 HA ALA 11 HA ALA 11 8.019 14.792 -16.843 95 HB1 ALA 11 HB1 ALA 11 9.165 13.283 -18.197 96 HB2 ALA 11 HB2 ALA 11 8.921 14.253 -19.650 97 HB3 ALA 11 HB3 ALA 11 10.055 14.791 -18.411 98 H GLU 12 H GLU 12 6.869 16.624 -19.526 99 HA GLU 12 HA GLU 12 8.634 18.818 -19.401 100 HB2 GLU 12 HB2 GLU 12 5.729 18.963 -20.198 101 HB3 GLU 12 HB3 GLU 12 7.048 19.991 -20.741 102 HG2 GLU 12 HG2 GLU 12 8.038 17.782 -21.675 103 HG3 GLU 12 HG3 GLU 12 6.383 17.194 -21.533 104 H LYS 13 H LYS 13 5.461 18.271 -17.895 105 HA LYS 13 HA LYS 13 5.700 20.722 -16.355 106 HB2 LYS 13 HB2 LYS 13 3.552 18.612 -16.553 107 HB3 LYS 13 HB3 LYS 13 3.467 19.953 -15.417 108 HG2 LYS 13 HG2 LYS 13 3.975 20.653 -18.240 109 HG3 LYS 13 HG3 LYS 13 2.374 20.017 -17.854 110 HD2 LYS 13 HD2 LYS 13 1.842 21.802 -16.507 111 HD3 LYS 13 HD3 LYS 13 3.528 22.149 -16.119 112 HE2 LYS 13 HE2 LYS 13 2.784 23.905 -17.523 113 HE3 LYS 13 HE3 LYS 13 3.810 22.872 -18.517 114 HZ1 LYS 13 HZ1 LYS 13 0.915 22.388 -18.481 115 HZ2 LYS 13 HZ2 LYS 13 2.036 22.106 -19.716 116 HZ3 LYS 13 HZ3 LYS 13 1.513 23.682 -19.392 117 H GLY 14 H GLY 14 5.821 17.235 -15.853 118 HA2 GLY 14 HA2 GLY 14 7.232 16.294 -14.163 119 HA3 GLY 14 HA3 GLY 14 6.992 17.746 -13.204 120 H TYR 15 H TYR 15 4.549 15.754 -14.815 121 HA TYR 15 HA TYR 15 3.632 14.746 -12.235 122 HB2 TYR 15 HB2 TYR 15 1.430 15.583 -12.416 123 HB3 TYR 15 HB3 TYR 15 2.471 16.955 -12.777 124 HD1 TYR 15 HD1 TYR 15 0.133 14.501 -14.193 125 HD2 TYR 15 HD2 TYR 15 2.521 17.933 -14.980 126 HE1 TYR 15 HE1 TYR 15 -1.049 14.826 -16.325 127 HE2 TYR 15 HE2 TYR 15 1.345 18.269 -17.114 128 HH TYR 15 HH TYR 15 -0.710 17.692 -18.194 129 H GLY 16 H GLY 16 1.782 13.169 -12.545 130 HA2 GLY 16 HA2 GLY 16 1.299 12.014 -15.090 131 HA3 GLY 16 HA3 GLY 16 2.545 11.106 -14.246 132 H PHE 17 H PHE 17 0.423 9.681 -14.829 133 HA PHE 17 HA PHE 17 -0.867 9.296 -12.234 134 HB2 PHE 17 HB2 PHE 17 -2.318 9.606 -14.863 135 HB3 PHE 17 HB3 PHE 17 -3.050 8.848 -13.453 136 HD1 PHE 17 HD2 PHE 17 -1.683 11.997 -14.790 137 HD2 PHE 17 HD1 PHE 17 -3.877 10.141 -11.651 138 HE1 PHE 17 HE2 PHE 17 -2.363 14.212 -13.960 139 HE2 PHE 17 HE1 PHE 17 -4.561 12.352 -10.816 140 HZ PHE 17 HZ PHE 17 -3.803 14.391 -11.970 141 H ILE 18 H ILE 18 -0.720 7.245 -11.626 142 HA ILE 18 HA ILE 18 -0.023 5.230 -13.634 143 HB ILE 18 HB ILE 18 0.072 5.005 -10.624 144 HG12 ILE 18 HG12 ILE 18 2.485 5.236 -12.388 145 HG13 ILE 18 HG13 ILE 18 1.632 6.692 -11.885 146 HG21 ILE 18 HG21 ILE 18 1.010 3.217 -12.850 147 HG22 ILE 18 HG22 ILE 18 1.616 3.081 -11.200 148 HG23 ILE 18 HG23 ILE 18 -0.098 2.835 -11.532 149 HD11 ILE 18 HD11 ILE 18 1.900 5.783 -9.506 150 HD12 ILE 18 HD12 ILE 18 3.104 4.702 -10.209 151 HD13 ILE 18 HD13 ILE 18 3.319 6.449 -10.313 152 H GLN 19 H GLN 19 -1.072 3.198 -13.706 153 HA GLN 19 HA GLN 19 -3.727 3.127 -12.436 154 HB2 GLN 19 HB2 GLN 19 -3.272 1.960 -15.159 155 HB3 GLN 19 HB3 GLN 19 -4.780 2.459 -14.406 156 HG2 GLN 19 HG2 GLN 19 -2.628 4.211 -15.554 157 HG3 GLN 19 HG3 GLN 19 -4.287 4.018 -16.118 158 HE21 GLN 19 HE21 GLN 19 -2.546 6.294 -15.007 159 HE22 GLN 19 HE22 GLN 19 -3.584 7.060 -13.857 160 H GLN 20 H GLN 20 -4.210 1.291 -11.401 161 HA GLN 20 HA GLN 20 -2.277 -0.898 -11.532 162 HB2 GLN 20 HB2 GLN 20 -4.557 -0.562 -9.583 163 HB3 GLN 20 HB3 GLN 20 -3.176 -1.640 -9.436 164 HG2 GLN 20 HG2 GLN 20 -1.690 0.178 -9.077 165 HG3 GLN 20 HG3 GLN 20 -2.934 1.354 -9.498 166 HE21 GLN 20 HE21 GLN 20 -3.119 -1.501 -7.425 167 HE22 GLN 20 HE22 GLN 20 -3.558 -0.649 -5.988 168 H GLU 21 H GLU 21 -3.867 -2.985 -10.623 169 HA GLU 21 HA GLU 21 -4.787 -4.161 -12.920 170 HB2 GLU 21 HB2 GLU 21 -5.903 -4.631 -10.150 171 HB3 GLU 21 HB3 GLU 21 -5.990 -5.744 -11.508 172 HG2 GLU 21 HG2 GLU 21 -3.472 -5.767 -11.501 173 HG3 GLU 21 HG3 GLU 21 -3.556 -4.904 -9.966 174 H GLU 22 H GLU 22 -6.473 -1.942 -10.812 175 HA GLU 22 HA GLU 22 -8.896 -2.210 -12.456 176 HB2 GLU 22 HB2 GLU 22 -8.650 -0.771 -9.815 177 HB3 GLU 22 HB3 GLU 22 -10.126 -1.232 -10.651 178 HG2 GLU 22 HG2 GLU 22 -9.299 -3.642 -10.367 179 HG3 GLU 22 HG3 GLU 22 -8.184 -2.968 -9.179 180 H GLY 23 H GLY 23 -6.312 -0.085 -11.601 181 HA2 GLY 23 HA2 GLY 23 -5.692 1.960 -12.448 182 HA3 GLY 23 HA3 GLY 23 -6.901 1.720 -13.701 183 HA PRO 24 HA PRO 24 -9.226 3.838 -10.027 184 HB2 PRO 24 HB2 PRO 24 -7.703 4.693 -7.949 185 HB3 PRO 24 HB3 PRO 24 -8.431 3.083 -8.008 186 HG2 PRO 24 HG2 PRO 24 -5.629 3.920 -8.650 187 HG3 PRO 24 HG3 PRO 24 -6.194 2.507 -7.739 188 HD2 PRO 24 HD2 PRO 24 -5.416 2.355 -10.328 189 HD3 PRO 24 HD3 PRO 24 -6.684 1.314 -9.649 190 H ASP 25 H ASP 25 -6.392 5.535 -8.966 191 HA ASP 25 HA ASP 25 -5.932 7.384 -10.934 192 HB2 ASP 25 HB2 ASP 25 -7.348 9.331 -9.913 193 HB3 ASP 25 HB3 ASP 25 -8.092 8.220 -11.059 194 H VAL 26 H VAL 26 -3.906 7.402 -10.046 195 HA VAL 26 HA VAL 26 -3.647 8.557 -7.347 196 HB VAL 26 HB VAL 26 -2.618 6.196 -8.145 197 HG11 VAL 26 HG11 VAL 26 -1.212 7.526 -9.824 198 HG12 VAL 26 HG12 VAL 26 -0.266 8.038 -8.426 199 HG13 VAL 26 HG13 VAL 26 -0.386 6.326 -8.831 200 HG21 VAL 26 HG21 VAL 26 -2.662 7.099 -5.864 201 HG22 VAL 26 HG22 VAL 26 -1.107 6.360 -6.244 202 HG23 VAL 26 HG23 VAL 26 -1.272 8.116 -6.245 203 H PHE 27 H PHE 27 -2.199 10.233 -6.992 204 HA PHE 27 HA PHE 27 -1.435 11.710 -9.407 205 HB2 PHE 27 HB2 PHE 27 -2.867 12.738 -7.536 206 HB3 PHE 27 HB3 PHE 27 -1.379 12.788 -6.595 207 HD1 PHE 27 HD2 PHE 27 -2.763 13.841 -9.887 208 HD2 PHE 27 HD1 PHE 27 -0.007 14.636 -6.742 209 HE1 PHE 27 HE2 PHE 27 -2.168 15.978 -10.953 210 HE2 PHE 27 HE1 PHE 27 0.591 16.774 -7.802 211 HZ PHE 27 HZ PHE 27 -0.490 17.448 -9.910 212 H VAL 28 H VAL 28 0.595 11.543 -10.063 213 HA VAL 28 HA VAL 28 2.715 11.251 -8.035 214 HB VAL 28 HB VAL 28 3.859 9.672 -9.268 215 HG11 VAL 28 HG11 VAL 28 2.433 7.922 -9.316 216 HG12 VAL 28 HG12 VAL 28 1.305 9.097 -8.636 217 HG13 VAL 28 HG13 VAL 28 1.283 8.750 -10.366 218 HG21 VAL 28 HG21 VAL 28 4.045 10.784 -11.357 219 HG22 VAL 28 HG22 VAL 28 3.341 9.202 -11.688 220 HG23 VAL 28 HG23 VAL 28 2.315 10.636 -11.667 221 H HIS 29 H HIS 29 4.602 12.395 -8.353 222 HA HIS 29 HA HIS 29 4.614 14.276 -10.621 223 HB2 HIS 29 HB2 HIS 29 4.903 14.757 -7.718 224 HB3 HIS 29 HB3 HIS 29 6.039 15.621 -8.750 225 HD1 HIS 29 HD1 HIS 29 4.684 17.756 -7.802 226 HD2 HIS 29 HD2 HIS 29 2.632 15.275 -10.427 227 HE1 HIS 29 HE1 HIS 29 2.723 19.107 -8.609 228 H PHE 30 H PHE 30 6.751 15.056 -11.249 229 HA PHE 30 HA PHE 30 8.568 13.001 -11.701 230 HB2 PHE 30 HB2 PHE 30 9.992 14.627 -12.666 231 HB3 PHE 30 HB3 PHE 30 8.358 15.226 -12.930 232 HD1 PHE 30 HD2 PHE 30 7.459 16.858 -11.090 233 HD2 PHE 30 HD1 PHE 30 11.577 16.048 -11.798 234 HE1 PHE 30 HE2 PHE 30 8.060 18.980 -9.999 235 HE2 PHE 30 HE1 PHE 30 12.185 18.168 -10.708 236 HZ PHE 30 HZ PHE 30 10.426 19.637 -9.806 237 H THR 31 H THR 31 8.154 15.011 -8.946 238 HA THR 31 HA THR 31 10.798 14.353 -7.884 239 HB THR 31 HB THR 31 9.940 16.682 -7.659 240 HG1 THR 31 HG1 THR 31 11.422 15.591 -6.106 241 HG21 THR 31 HG21 THR 31 7.559 15.568 -7.025 242 HG22 THR 31 HG22 THR 31 8.011 17.221 -6.606 243 HG23 THR 31 HG23 THR 31 8.179 15.931 -5.415 244 H ALA 32 H ALA 32 8.484 12.433 -8.223 245 HA ALA 32 HA ALA 32 8.393 11.505 -5.426 246 HB1 ALA 32 HB1 ALA 32 6.180 11.753 -5.571 247 HB2 ALA 32 HB2 ALA 32 6.228 11.944 -7.324 248 HB3 ALA 32 HB3 ALA 32 6.212 10.330 -6.613 249 H ILE 33 H ILE 33 9.570 10.900 -8.454 250 HA ILE 33 HA ILE 33 9.326 8.003 -8.342 251 HB ILE 33 HB ILE 33 10.690 9.804 -10.344 252 HG12 ILE 33 HG12 ILE 33 8.753 8.552 -11.719 253 HG13 ILE 33 HG13 ILE 33 8.007 8.546 -10.125 254 HG21 ILE 33 HG21 ILE 33 10.340 7.324 -11.513 255 HG22 ILE 33 HG22 ILE 33 11.861 8.004 -10.936 256 HG23 ILE 33 HG23 ILE 33 10.913 6.949 -9.888 257 HD11 ILE 33 HD11 ILE 33 8.588 10.802 -11.943 258 HD12 ILE 33 HD12 ILE 33 7.206 10.518 -10.885 259 HD13 ILE 33 HD13 ILE 33 8.728 11.098 -10.210 260 H GLU 34 H GLU 34 10.863 6.642 -7.650 261 HA GLU 34 HA GLU 34 13.479 7.789 -6.926 262 HB2 GLU 34 HB2 GLU 34 12.245 5.390 -5.590 263 HB3 GLU 34 HB3 GLU 34 13.582 6.383 -5.027 264 HG2 GLU 34 HG2 GLU 34 11.457 8.152 -5.265 265 HG3 GLU 34 HG3 GLU 34 10.747 6.686 -4.592 266 H ALA 35 H ALA 35 14.383 7.251 -8.947 267 HA ALA 35 HA ALA 35 14.875 4.366 -9.297 268 HB1 ALA 35 HB1 ALA 35 14.632 4.489 -11.596 269 HB2 ALA 35 HB2 ALA 35 13.351 5.557 -11.021 270 HB3 ALA 35 HB3 ALA 35 14.860 6.238 -11.630 271 H ASP 36 H ASP 36 16.818 4.196 -11.011 272 HA ASP 36 HA ASP 36 19.047 5.508 -9.689 273 HB2 ASP 36 HB2 ASP 36 19.042 3.049 -10.216 274 HB3 ASP 36 HB3 ASP 36 19.132 3.474 -11.923 275 H GLY 37 H GLY 37 18.386 7.639 -10.566 276 HA2 GLY 37 HA2 GLY 37 19.822 9.061 -12.068 277 HA3 GLY 37 HA3 GLY 37 19.301 7.984 -13.355 278 H PHE 38 H PHE 38 17.734 8.756 -14.586 279 HA PHE 38 HA PHE 38 16.365 11.148 -14.021 280 HB2 PHE 38 HB2 PHE 38 15.874 8.976 -16.058 281 HB3 PHE 38 HB3 PHE 38 14.915 10.450 -15.989 282 HD1 PHE 38 HD2 PHE 38 16.515 12.645 -15.775 283 HD2 PHE 38 HD1 PHE 38 17.522 8.952 -17.636 284 HE1 PHE 38 HE2 PHE 38 18.194 13.801 -17.152 285 HE2 PHE 38 HE1 PHE 38 19.204 10.101 -19.016 286 HZ PHE 38 HZ PHE 38 19.541 12.529 -18.776 287 H ARG 39 H ARG 39 14.731 11.501 -12.685 288 HA ARG 39 HA ARG 39 13.255 9.301 -11.542 289 HB2 ARG 39 HB2 ARG 39 12.719 12.234 -11.105 290 HB3 ARG 39 HB3 ARG 39 12.339 10.891 -10.035 291 HG2 ARG 39 HG2 ARG 39 15.136 11.755 -10.730 292 HG3 ARG 39 HG3 ARG 39 14.257 12.282 -9.293 293 HD2 ARG 39 HD2 ARG 39 14.351 10.206 -8.309 294 HD3 ARG 39 HD3 ARG 39 14.493 9.365 -9.852 295 HE ARG 39 HE ARG 39 16.814 10.704 -9.724 296 HH11 ARG 39 HH11 ARG 39 15.156 8.686 -7.422 297 HH12 ARG 39 HH12 ARG 39 16.611 8.132 -6.663 298 HH21 ARG 39 HH21 ARG 39 18.737 9.981 -8.733 299 HH22 ARG 39 HH22 ARG 39 18.648 8.870 -7.409 300 H THR 40 H THR 40 12.407 8.729 -13.753 301 HA THR 40 HA THR 40 9.749 9.887 -14.040 302 HB THR 40 HB THR 40 9.901 10.251 -16.407 303 HG1 THR 40 HG1 THR 40 11.623 9.639 -17.597 304 HG21 THR 40 HG21 THR 40 10.638 12.119 -15.033 305 HG22 THR 40 HG22 THR 40 11.580 12.052 -16.522 306 HG23 THR 40 HG23 THR 40 12.280 11.478 -15.009 307 H LEU 41 H LEU 41 8.362 8.581 -15.494 308 HA LEU 41 HA LEU 41 9.134 5.744 -15.355 309 HB2 LEU 41 HB2 LEU 41 6.334 6.803 -15.610 310 HB3 LEU 41 HB3 LEU 41 6.848 5.184 -15.140 311 HG LEU 41 HG LEU 41 7.238 7.673 -13.478 312 HD11 LEU 41 HD11 LEU 41 5.134 5.533 -13.450 313 HD12 LEU 41 HD12 LEU 41 4.929 7.284 -13.475 314 HD13 LEU 41 HD13 LEU 41 5.519 6.487 -12.017 315 HD21 LEU 41 HD21 LEU 41 8.568 5.233 -13.387 316 HD22 LEU 41 HD22 LEU 41 7.347 5.125 -12.119 317 HD23 LEU 41 HD23 LEU 41 8.507 6.455 -12.117 318 H ASN 42 H ASN 42 7.568 4.483 -17.022 319 HA ASN 42 HA ASN 42 7.850 5.820 -19.631 320 HB2 ASN 42 HB2 ASN 42 8.585 2.989 -18.882 321 HB3 ASN 42 HB3 ASN 42 8.375 3.510 -20.551 322 HD21 ASN 42 HD21 ASN 42 10.233 4.032 -17.619 323 HD22 ASN 42 HD22 ASN 42 11.636 4.668 -18.400 324 H GLU 43 H GLU 43 6.051 5.864 -20.811 325 HA GLU 43 HA GLU 43 3.588 4.959 -19.878 326 HB2 GLU 43 HB2 GLU 43 3.731 6.738 -21.508 327 HB3 GLU 43 HB3 GLU 43 4.456 5.654 -22.686 328 HG2 GLU 43 HG2 GLU 43 2.338 4.318 -22.619 329 HG3 GLU 43 HG3 GLU 43 1.638 5.610 -21.645 330 H GLY 44 H GLY 44 2.776 2.981 -19.727 331 HA2 GLY 44 HA2 GLY 44 2.071 0.906 -20.597 332 HA3 GLY 44 HA3 GLY 44 3.294 1.043 -21.852 333 H GLU 45 H GLU 45 4.630 1.824 -18.891 334 HA GLU 45 HA GLU 45 5.777 -0.874 -18.659 335 HB2 GLU 45 HB2 GLU 45 7.361 0.970 -19.148 336 HB3 GLU 45 HB3 GLU 45 6.885 1.750 -17.646 337 HG2 GLU 45 HG2 GLU 45 7.944 0.175 -16.335 338 HG3 GLU 45 HG3 GLU 45 7.926 -1.046 -17.606 339 H HIS 46 H HIS 46 6.317 -1.624 -16.477 340 HA HIS 46 HA HIS 46 4.130 -1.049 -14.647 341 HB2 HIS 46 HB2 HIS 46 6.303 -3.082 -14.192 342 HB3 HIS 46 HB3 HIS 46 4.656 -3.078 -13.569 343 HD1 HIS 46 HD1 HIS 46 2.914 -4.273 -14.926 344 HD2 HIS 46 HD2 HIS 46 6.481 -3.764 -16.994 345 HE1 HIS 46 HE1 HIS 46 2.668 -5.623 -17.034 346 H VAL 47 H VAL 47 4.348 -0.234 -12.598 347 HA VAL 47 HA VAL 47 6.940 0.267 -11.442 348 HB VAL 47 HB VAL 47 6.385 2.769 -11.193 349 HG11 VAL 47 HG11 VAL 47 7.063 2.312 -14.020 350 HG12 VAL 47 HG12 VAL 47 7.951 3.174 -12.762 351 HG13 VAL 47 HG13 VAL 47 8.032 1.414 -12.852 352 HG21 VAL 47 HG21 VAL 47 4.846 3.768 -12.536 353 HG22 VAL 47 HG22 VAL 47 5.022 2.571 -13.819 354 HG23 VAL 47 HG23 VAL 47 4.074 2.189 -12.381 355 H GLU 48 H GLU 48 6.842 0.548 -9.255 356 HA GLU 48 HA GLU 48 4.186 0.284 -8.053 357 HB2 GLU 48 HB2 GLU 48 5.631 -1.423 -7.300 358 HB3 GLU 48 HB3 GLU 48 6.968 -0.305 -7.069 359 HG2 GLU 48 HG2 GLU 48 5.893 0.675 -5.162 360 HG3 GLU 48 HG3 GLU 48 4.441 -0.285 -5.438 361 H PHE 49 H PHE 49 3.248 1.917 -7.022 362 HA PHE 49 HA PHE 49 4.927 4.186 -6.177 363 HB2 PHE 49 HB2 PHE 49 2.919 5.621 -6.596 364 HB3 PHE 49 HB3 PHE 49 3.583 4.882 -8.050 365 HD1 PHE 49 HD1 PHE 49 2.438 2.899 -9.044 366 HD2 PHE 49 HD2 PHE 49 0.707 5.206 -5.914 367 HE1 PHE 49 HE1 PHE 49 0.228 1.958 -9.577 368 HE2 PHE 49 HE2 PHE 49 -1.505 4.268 -6.441 369 HZ PHE 49 HZ PHE 49 -1.747 2.641 -8.274 370 H GLU 50 H GLU 50 4.519 5.123 -4.198 371 HA GLU 50 HA GLU 50 2.847 3.528 -2.395 372 HB2 GLU 50 HB2 GLU 50 5.405 4.798 -2.151 373 HB3 GLU 50 HB3 GLU 50 4.312 5.476 -0.952 374 HG2 GLU 50 HG2 GLU 50 3.769 3.140 -0.249 375 HG3 GLU 50 HG3 GLU 50 5.055 2.587 -1.321 376 H VAL 51 H VAL 51 0.805 4.308 -2.566 377 HA VAL 51 HA VAL 51 0.031 6.947 -2.986 378 HB VAL 51 HB VAL 51 -2.167 6.312 -2.108 379 HG11 VAL 51 HG11 VAL 51 -2.210 5.588 -4.239 380 HG12 VAL 51 HG12 VAL 51 -0.689 4.707 -4.080 381 HG13 VAL 51 HG13 VAL 51 -2.190 3.989 -3.495 382 HG21 VAL 51 HG21 VAL 51 -2.434 3.911 -1.329 383 HG22 VAL 51 HG22 VAL 51 -0.683 3.890 -1.119 384 HG23 VAL 51 HG23 VAL 51 -1.668 5.024 -0.195 385 H GLU 52 H GLU 52 0.174 8.706 -1.769 386 HA GLU 52 HA GLU 52 0.673 8.397 1.106 387 HB2 GLU 52 HB2 GLU 52 1.987 9.904 -0.777 388 HB3 GLU 52 HB3 GLU 52 0.917 11.087 -0.038 389 HG2 GLU 52 HG2 GLU 52 1.871 10.795 2.080 390 HG3 GLU 52 HG3 GLU 52 2.662 9.292 1.609 391 HA PRO 53 HA PRO 53 -3.357 9.881 2.089 392 HB2 PRO 53 HB2 PRO 53 -2.876 10.713 4.628 393 HB3 PRO 53 HB3 PRO 53 -2.997 9.007 4.183 394 HG2 PRO 53 HG2 PRO 53 -0.555 10.686 4.608 395 HG3 PRO 53 HG3 PRO 53 -0.879 9.027 5.144 396 HD2 PRO 53 HD2 PRO 53 0.635 9.586 2.970 397 HD3 PRO 53 HD3 PRO 53 -0.372 8.128 3.083 398 H GLY 54 H GLY 54 -1.728 12.064 4.226 399 HA2 GLY 54 HA2 GLY 54 -2.940 14.324 2.877 400 HA3 GLY 54 HA3 GLY 54 -2.077 14.359 4.408 401 H ARG 55 H ARG 55 -1.208 13.424 1.077 402 HA ARG 55 HA ARG 55 0.919 15.445 1.143 403 HB2 ARG 55 HB2 ARG 55 1.348 12.663 1.346 404 HB3 ARG 55 HB3 ARG 55 1.814 13.117 -0.288 405 HG2 ARG 55 HG2 ARG 55 2.814 14.937 1.764 406 HG3 ARG 55 HG3 ARG 55 3.405 13.282 1.922 407 HD2 ARG 55 HD2 ARG 55 3.676 13.669 -0.744 408 HD3 ARG 55 HD3 ARG 55 3.950 15.305 -0.145 409 HE ARG 55 HE ARG 55 5.665 13.011 0.202 410 HH11 ARG 55 HH11 ARG 55 4.804 16.181 1.357 411 HH12 ARG 55 HH12 ARG 55 6.338 16.467 2.109 412 HH21 ARG 55 HH21 ARG 55 7.689 13.376 1.188 413 HH22 ARG 55 HH22 ARG 55 7.979 14.871 2.011 414 H GLY 56 H GLY 56 -1.065 13.240 -0.774 415 HA2 GLY 56 HA2 GLY 56 -0.319 14.392 -3.291 416 HA3 GLY 56 HA3 GLY 56 -1.641 13.269 -3.009 417 H GLY 57 H GLY 57 -1.210 16.023 -4.408 418 HA2 GLY 57 HA2 GLY 57 -2.669 18.036 -3.265 419 HA3 GLY 57 HA3 GLY 57 -2.666 17.710 -4.992 420 H LYS 58 H LYS 58 -3.926 15.140 -4.832 421 HA LYS 58 HA LYS 58 -6.659 16.024 -4.205 422 HB2 LYS 58 HB2 LYS 58 -5.480 14.289 -6.303 423 HB3 LYS 58 HB3 LYS 58 -7.059 13.817 -5.688 424 HG2 LYS 58 HG2 LYS 58 -6.558 16.625 -6.583 425 HG3 LYS 58 HG3 LYS 58 -6.919 15.354 -7.753 426 HD2 LYS 58 HD2 LYS 58 -9.057 15.949 -7.346 427 HD3 LYS 58 HD3 LYS 58 -8.865 14.910 -5.932 428 HE2 LYS 58 HE2 LYS 58 -8.643 16.695 -4.487 429 HE3 LYS 58 HE3 LYS 58 -8.092 17.788 -5.756 430 HZ1 LYS 58 HZ1 LYS 58 -10.855 16.725 -5.660 431 HZ2 LYS 58 HZ2 LYS 58 -10.270 18.022 -6.574 432 HZ3 LYS 58 HZ3 LYS 58 -10.409 18.167 -4.894 433 H GLY 59 H GLY 59 -4.199 13.930 -3.188 434 HA2 GLY 59 HA2 GLY 59 -5.073 13.028 -0.883 435 HA3 GLY 59 HA3 GLY 59 -6.060 12.038 -1.947 436 HA PRO 60 HA PRO 60 -2.781 9.094 -1.764 437 HB2 PRO 60 HB2 PRO 60 -3.631 7.479 -3.773 438 HB3 PRO 60 HB3 PRO 60 -4.394 7.511 -2.179 439 HG2 PRO 60 HG2 PRO 60 -5.246 8.855 -4.714 440 HG3 PRO 60 HG3 PRO 60 -6.233 7.995 -3.518 441 HD2 PRO 60 HD2 PRO 60 -6.074 10.697 -3.604 442 HD3 PRO 60 HD3 PRO 60 -6.297 9.801 -2.087 443 H GLN 61 H GLN 61 -0.848 9.829 -2.446 444 HA GLN 61 HA GLN 61 -0.472 10.238 -5.339 445 HB2 GLN 61 HB2 GLN 61 1.285 11.810 -4.829 446 HB3 GLN 61 HB3 GLN 61 -0.164 12.273 -3.947 447 HG2 GLN 61 HG2 GLN 61 0.719 11.658 -1.905 448 HG3 GLN 61 HG3 GLN 61 1.908 10.577 -2.630 449 HE21 GLN 61 HE21 GLN 61 3.893 11.325 -3.044 450 HE22 GLN 61 HE22 GLN 61 4.394 12.966 -2.842 451 H ALA 62 H ALA 62 1.908 9.919 -5.985 452 HA ALA 62 HA ALA 62 2.654 7.244 -5.155 453 HB1 ALA 62 HB1 ALA 62 3.443 9.061 -7.387 454 HB2 ALA 62 HB2 ALA 62 4.479 7.696 -6.965 455 HB3 ALA 62 HB3 ALA 62 2.805 7.417 -7.445 456 H LYS 63 H LYS 63 3.090 8.423 -2.948 457 HA LYS 63 HA LYS 63 5.181 10.039 -2.363 458 HB2 LYS 63 HB2 LYS 63 3.780 9.176 -0.611 459 HB3 LYS 63 HB3 LYS 63 4.321 7.530 -0.918 460 HG2 LYS 63 HG2 LYS 63 6.674 8.804 -0.391 461 HG3 LYS 63 HG3 LYS 63 5.549 9.649 0.674 462 HD2 LYS 63 HD2 LYS 63 5.909 6.656 0.532 463 HD3 LYS 63 HD3 LYS 63 6.594 7.709 1.771 464 HE2 LYS 63 HE2 LYS 63 4.295 8.406 2.381 465 HE3 LYS 63 HE3 LYS 63 3.666 7.247 1.211 466 HZ1 LYS 63 HZ1 LYS 63 3.945 6.626 3.727 467 HZ2 LYS 63 HZ2 LYS 63 5.529 6.276 3.249 468 HZ3 LYS 63 HZ3 LYS 63 4.230 5.484 2.511 469 H LYS 64 H LYS 64 5.404 6.549 -2.977 470 HA LYS 64 HA LYS 64 8.265 6.922 -3.549 471 HB2 LYS 64 HB2 LYS 64 7.296 5.547 -1.351 472 HB3 LYS 64 HB3 LYS 64 7.606 4.270 -2.520 473 HG2 LYS 64 HG2 LYS 64 9.905 5.388 -2.810 474 HG3 LYS 64 HG3 LYS 64 9.529 6.204 -1.291 475 HD2 LYS 64 HD2 LYS 64 9.829 4.336 -0.074 476 HD3 LYS 64 HD3 LYS 64 9.039 3.311 -1.275 477 HE2 LYS 64 HE2 LYS 64 11.702 4.436 -1.952 478 HE3 LYS 64 HE3 LYS 64 11.640 3.146 -0.752 479 HZ1 LYS 64 HZ1 LYS 64 11.945 2.380 -3.081 480 HZ2 LYS 64 HZ2 LYS 64 10.394 2.953 -3.438 481 HZ3 LYS 64 HZ3 LYS 64 10.597 1.708 -2.310 482 H VAL 65 H VAL 65 8.381 6.668 -5.691 483 HA VAL 65 HA VAL 65 6.822 4.519 -6.951 484 HB VAL 65 HB VAL 65 7.593 7.191 -7.797 485 HG11 VAL 65 HG11 VAL 65 9.296 6.110 -9.092 486 HG12 VAL 65 HG12 VAL 65 8.156 4.890 -9.662 487 HG13 VAL 65 HG13 VAL 65 7.983 6.568 -10.176 488 HG21 VAL 65 HG21 VAL 65 5.299 6.032 -7.670 489 HG22 VAL 65 HG22 VAL 65 5.636 7.064 -9.059 490 HG23 VAL 65 HG23 VAL 65 5.739 5.311 -9.218 491 H ARG 66 H ARG 66 7.786 2.917 -8.129 492 HA ARG 66 HA ARG 66 10.722 2.930 -8.291 493 HB2 ARG 66 HB2 ARG 66 8.931 0.873 -7.072 494 HB3 ARG 66 HB3 ARG 66 10.387 0.338 -7.899 495 HG2 ARG 66 HG2 ARG 66 10.649 2.516 -5.902 496 HG3 ARG 66 HG3 ARG 66 10.360 0.877 -5.316 497 HD2 ARG 66 HD2 ARG 66 12.452 1.261 -7.387 498 HD3 ARG 66 HD3 ARG 66 12.805 1.817 -5.752 499 HE ARG 66 HE ARG 66 11.905 -0.684 -5.335 500 HH11 ARG 66 HH11 ARG 66 14.298 0.627 -7.496 501 HH12 ARG 66 HH12 ARG 66 15.268 -0.808 -7.502 502 HH21 ARG 66 HH21 ARG 66 13.173 -2.580 -5.335 503 HH22 ARG 66 HH22 ARG 66 14.626 -2.632 -6.273 504 H ARG 67 H ARG 67 11.601 2.004 -10.106 505 HA ARG 67 HA ARG 67 9.850 1.725 -12.364 506 HB2 ARG 67 HB2 ARG 67 12.000 2.799 -12.662 507 HB3 ARG 67 HB3 ARG 67 12.836 1.365 -12.080 508 HG2 ARG 67 HG2 ARG 67 11.959 0.117 -14.030 509 HG3 ARG 67 HG3 ARG 67 11.258 1.622 -14.629 510 HD2 ARG 67 HD2 ARG 67 13.359 2.587 -14.997 511 HD3 ARG 67 HD3 ARG 67 14.176 1.410 -13.970 512 HE ARG 67 HE ARG 67 13.014 0.033 -16.100 513 HH11 ARG 67 HH11 ARG 67 15.518 2.385 -15.539 514 HH12 ARG 67 HH12 ARG 67 16.469 1.890 -16.900 515 HH21 ARG 67 HH21 ARG 67 14.257 -0.629 -17.894 516 HH22 ARG 67 HH22 ARG 67 15.750 0.176 -18.239 517 H ILE 68 H ILE 68 9.157 -0.090 -13.342 518 HA ILE 68 HA ILE 68 10.321 -2.663 -12.559 519 HB ILE 68 HB ILE 68 7.336 -2.289 -12.680 520 HG12 ILE 68 HG12 ILE 68 8.395 -0.922 -10.844 521 HG13 ILE 68 HG13 ILE 68 7.259 -2.149 -10.293 522 HG21 ILE 68 HG21 ILE 68 7.530 -4.523 -12.814 523 HG22 ILE 68 HG22 ILE 68 9.184 -4.518 -12.205 524 HG23 ILE 68 HG23 ILE 68 7.830 -4.421 -11.079 525 HD11 ILE 68 HD11 ILE 68 8.821 -3.218 -9.124 526 HD12 ILE 68 HD12 ILE 68 10.009 -3.095 -10.422 527 HD13 ILE 68 HD13 ILE 68 9.773 -1.745 -9.312 Start of MODEL 18 1 H1 MET 1 H MET 1 0.663 1.913 -0.359 2 HA MET 1 HA MET 1 2.844 0.704 -1.729 3 HB2 MET 1 HB2 MET 1 2.297 -1.283 -0.317 4 HB3 MET 1 HB3 MET 1 2.518 0.204 0.596 5 HG2 MET 1 HG2 MET 1 0.230 0.419 1.023 6 HG3 MET 1 HG3 MET 1 -0.200 -0.736 -0.237 7 HE1 MET 1 HE1 MET 1 -1.536 -2.819 2.468 8 HE2 MET 1 HE2 MET 1 -1.318 -1.208 3.153 9 HE3 MET 1 HE3 MET 1 -1.814 -1.392 1.470 10 H LYS 2 H LYS 2 1.413 1.164 -3.816 11 HA LYS 2 HA LYS 2 0.117 -1.393 -4.497 12 HB2 LYS 2 HB2 LYS 2 -0.617 1.378 -5.457 13 HB3 LYS 2 HB3 LYS 2 -1.303 -0.111 -6.092 14 HG2 LYS 2 HG2 LYS 2 -1.567 0.936 -3.282 15 HG3 LYS 2 HG3 LYS 2 -2.827 0.877 -4.517 16 HD2 LYS 2 HD2 LYS 2 -2.308 -1.675 -4.538 17 HD3 LYS 2 HD3 LYS 2 -1.592 -1.357 -2.955 18 HE2 LYS 2 HE2 LYS 2 -3.824 -0.174 -2.435 19 HE3 LYS 2 HE3 LYS 2 -4.441 -1.043 -3.839 20 HZ1 LYS 2 HZ1 LYS 2 -4.283 -3.040 -2.791 21 HZ2 LYS 2 HZ2 LYS 2 -4.566 -2.061 -1.441 22 HZ3 LYS 2 HZ3 LYS 2 -2.993 -2.568 -1.803 23 H LYS 3 H LYS 3 0.391 -2.138 -6.651 24 HA LYS 3 HA LYS 3 2.600 -0.861 -8.122 25 HB2 LYS 3 HB2 LYS 3 2.207 -3.844 -8.016 26 HB3 LYS 3 HB3 LYS 3 3.615 -2.950 -8.572 27 HG2 LYS 3 HG2 LYS 3 4.055 -2.226 -6.275 28 HG3 LYS 3 HG3 LYS 3 2.654 -3.148 -5.724 29 HD2 LYS 3 HD2 LYS 3 4.490 -4.547 -5.306 30 HD3 LYS 3 HD3 LYS 3 3.785 -5.172 -6.799 31 HE2 LYS 3 HE2 LYS 3 5.458 -3.848 -8.072 32 HE3 LYS 3 HE3 LYS 3 6.202 -3.386 -6.542 33 HZ1 LYS 3 HZ1 LYS 3 5.862 -6.201 -7.411 34 HZ2 LYS 3 HZ2 LYS 3 6.770 -5.633 -6.103 35 HZ3 LYS 3 HZ3 LYS 3 7.270 -5.304 -7.685 36 H GLY 4 H GLY 4 2.301 -0.597 -10.264 37 HA2 GLY 4 HA2 GLY 4 0.610 -2.240 -11.851 38 HA3 GLY 4 HA3 GLY 4 -0.212 -0.747 -11.424 39 H THR 5 H THR 5 0.123 -1.164 -14.024 40 HA THR 5 HA THR 5 2.599 -0.009 -14.970 41 HB THR 5 HB THR 5 1.584 -0.204 -17.219 42 HG1 THR 5 HG1 THR 5 -0.622 0.099 -16.499 43 HG21 THR 5 HG21 THR 5 1.055 -2.801 -15.826 44 HG22 THR 5 HG22 THR 5 2.691 -2.144 -15.875 45 HG23 THR 5 HG23 THR 5 1.839 -2.503 -17.377 46 H VAL 6 H VAL 6 2.859 1.994 -15.932 47 HA VAL 6 HA VAL 6 1.064 4.051 -15.012 48 HB VAL 6 HB VAL 6 3.710 4.071 -15.333 49 HG11 VAL 6 HG11 VAL 6 3.492 3.810 -17.800 50 HG12 VAL 6 HG12 VAL 6 2.733 5.402 -17.855 51 HG13 VAL 6 HG13 VAL 6 4.402 5.238 -17.309 52 HG21 VAL 6 HG21 VAL 6 3.116 6.721 -15.835 53 HG22 VAL 6 HG22 VAL 6 1.639 6.095 -15.101 54 HG23 VAL 6 HG23 VAL 6 3.177 5.949 -14.251 55 H LYS 7 H LYS 7 -0.164 5.445 -16.257 56 HA LYS 7 HA LYS 7 -0.870 4.421 -18.907 57 HB2 LYS 7 HB2 LYS 7 -2.594 4.858 -17.064 58 HB3 LYS 7 HB3 LYS 7 -2.325 6.569 -17.374 59 HG2 LYS 7 HG2 LYS 7 -4.231 5.973 -18.614 60 HG3 LYS 7 HG3 LYS 7 -2.915 6.099 -19.783 61 HD2 LYS 7 HD2 LYS 7 -2.836 3.454 -18.948 62 HD3 LYS 7 HD3 LYS 7 -4.559 3.815 -19.077 63 HE2 LYS 7 HE2 LYS 7 -2.839 4.754 -21.290 64 HE3 LYS 7 HE3 LYS 7 -3.056 3.011 -21.150 65 HZ1 LYS 7 HZ1 LYS 7 -4.949 3.319 -22.244 66 HZ2 LYS 7 HZ2 LYS 7 -4.898 4.999 -22.052 67 HZ3 LYS 7 HZ3 LYS 7 -5.568 4.029 -20.838 68 H TRP 8 H TRP 8 0.445 7.227 -17.300 69 HA TRP 8 HA TRP 8 1.653 8.225 -19.632 70 HB2 TRP 8 HB2 TRP 8 0.351 10.104 -20.209 71 HB3 TRP 8 HB3 TRP 8 -0.815 8.796 -20.029 72 HD1 TRP 8 HD1 TRP 8 0.455 11.916 -18.150 73 HE1 TRP 8 HE1 TRP 8 -1.403 12.703 -16.552 74 HE3 TRP 8 HE3 TRP 8 -2.870 8.092 -18.824 75 HZ2 TRP 8 HZ2 TRP 8 -3.941 11.819 -15.690 76 HZ3 TRP 8 HZ3 TRP 8 -4.989 8.137 -17.575 77 HH2 TRP 8 HH2 TRP 8 -5.511 9.963 -16.040 78 H PHE 9 H PHE 9 3.230 9.660 -19.122 79 HA PHE 9 HA PHE 9 3.142 10.930 -16.475 80 HB2 PHE 9 HB2 PHE 9 4.527 9.009 -16.131 81 HB3 PHE 9 HB3 PHE 9 5.411 9.303 -17.625 82 HD1 PHE 9 HD1 PHE 9 4.771 10.671 -14.243 83 HD2 PHE 9 HD2 PHE 9 7.336 10.625 -17.639 84 HE1 PHE 9 HE1 PHE 9 6.448 11.964 -12.990 85 HE2 PHE 9 HE2 PHE 9 9.017 11.917 -16.391 86 HZ PHE 9 HZ PHE 9 8.574 12.589 -14.064 87 H ASN 10 H ASN 10 2.871 12.991 -17.169 88 HA ASN 10 HA ASN 10 4.256 14.072 -19.424 89 HB2 ASN 10 HB2 ASN 10 1.983 14.800 -18.370 90 HB3 ASN 10 HB3 ASN 10 2.989 15.767 -17.294 91 HD21 ASN 10 HD21 ASN 10 1.835 15.337 -20.525 92 HD22 ASN 10 HD22 ASN 10 2.402 16.844 -21.151 93 H ALA 11 H ALA 11 6.358 14.495 -19.410 94 HA ALA 11 HA ALA 11 7.787 14.984 -16.950 95 HB1 ALA 11 HB1 ALA 11 9.368 13.979 -18.144 96 HB2 ALA 11 HB2 ALA 11 8.451 14.181 -19.637 97 HB3 ALA 11 HB3 ALA 11 9.520 15.467 -19.078 98 H GLU 12 H GLU 12 6.678 16.839 -19.717 99 HA GLU 12 HA GLU 12 8.155 19.171 -19.367 100 HB2 GLU 12 HB2 GLU 12 5.520 18.521 -20.594 101 HB3 GLU 12 HB3 GLU 12 5.893 20.215 -20.308 102 HG2 GLU 12 HG2 GLU 12 7.881 18.490 -21.706 103 HG3 GLU 12 HG3 GLU 12 6.479 19.098 -22.584 104 H LYS 13 H LYS 13 4.997 18.295 -17.990 105 HA LYS 13 HA LYS 13 4.943 20.686 -16.360 106 HB2 LYS 13 HB2 LYS 13 3.084 18.310 -16.537 107 HB3 LYS 13 HB3 LYS 13 2.813 19.691 -15.482 108 HG2 LYS 13 HG2 LYS 13 2.675 21.163 -17.406 109 HG3 LYS 13 HG3 LYS 13 3.016 19.809 -18.485 110 HD2 LYS 13 HD2 LYS 13 0.959 18.707 -17.759 111 HD3 LYS 13 HD3 LYS 13 0.623 20.046 -16.659 112 HE2 LYS 13 HE2 LYS 13 -0.647 20.178 -18.781 113 HE3 LYS 13 HE3 LYS 13 0.398 21.572 -18.507 114 HZ1 LYS 13 HZ1 LYS 13 0.358 20.438 -20.813 115 HZ2 LYS 13 HZ2 LYS 13 1.383 19.300 -20.096 116 HZ3 LYS 13 HZ3 LYS 13 1.840 20.927 -20.159 117 H GLY 14 H GLY 14 5.781 17.321 -16.022 118 HA2 GLY 14 HA2 GLY 14 7.155 16.446 -14.333 119 HA3 GLY 14 HA3 GLY 14 6.842 17.880 -13.366 120 H TYR 15 H TYR 15 4.252 16.071 -14.840 121 HA TYR 15 HA TYR 15 3.603 14.862 -12.241 122 HB2 TYR 15 HB2 TYR 15 1.480 16.091 -13.987 123 HB3 TYR 15 HB3 TYR 15 1.360 15.596 -12.302 124 HD1 TYR 15 HD2 TYR 15 3.439 16.857 -10.892 125 HD2 TYR 15 HD1 TYR 15 1.279 18.369 -14.231 126 HE1 TYR 15 HE2 TYR 15 3.954 19.153 -10.178 127 HE2 TYR 15 HE1 TYR 15 1.790 20.670 -13.527 128 HH TYR 15 HH TYR 15 3.463 21.333 -10.492 129 H GLY 16 H GLY 16 1.777 13.222 -12.492 130 HA2 GLY 16 HA2 GLY 16 1.275 12.051 -15.030 131 HA3 GLY 16 HA3 GLY 16 2.561 11.183 -14.205 132 H PHE 17 H PHE 17 0.435 9.724 -14.767 133 HA PHE 17 HA PHE 17 -0.764 9.273 -12.140 134 HB2 PHE 17 HB2 PHE 17 -2.317 9.600 -14.710 135 HB3 PHE 17 HB3 PHE 17 -2.986 8.837 -13.271 136 HD1 PHE 17 HD2 PHE 17 -1.603 11.996 -14.600 137 HD2 PHE 17 HD1 PHE 17 -3.832 10.121 -11.496 138 HE1 PHE 17 HE2 PHE 17 -2.258 14.206 -13.740 139 HE2 PHE 17 HE1 PHE 17 -4.492 12.328 -10.632 140 HZ PHE 17 HZ PHE 17 -3.704 14.375 -11.753 141 H ILE 18 H ILE 18 -0.693 7.194 -11.585 142 HA ILE 18 HA ILE 18 0.059 5.240 -13.631 143 HB ILE 18 HB ILE 18 0.079 4.969 -10.622 144 HG12 ILE 18 HG12 ILE 18 2.533 5.092 -12.333 145 HG13 ILE 18 HG13 ILE 18 1.720 6.589 -11.890 146 HG21 ILE 18 HG21 ILE 18 1.663 3.023 -11.318 147 HG22 ILE 18 HG22 ILE 18 -0.084 2.793 -11.369 148 HG23 ILE 18 HG23 ILE 18 0.804 3.124 -12.855 149 HD11 ILE 18 HD11 ILE 18 1.882 5.689 -9.480 150 HD12 ILE 18 HD12 ILE 18 3.109 4.609 -10.143 151 HD13 ILE 18 HD13 ILE 18 3.322 6.357 -10.248 152 H GLN 19 H GLN 19 -1.018 3.258 -13.868 153 HA GLN 19 HA GLN 19 -3.726 3.175 -12.710 154 HB2 GLN 19 HB2 GLN 19 -2.787 2.812 -15.508 155 HB3 GLN 19 HB3 GLN 19 -4.096 1.774 -14.957 156 HG2 GLN 19 HG2 GLN 19 -4.465 4.189 -16.065 157 HG3 GLN 19 HG3 GLN 19 -5.590 3.446 -14.929 158 HE21 GLN 19 HE21 GLN 19 -3.106 5.844 -15.357 159 HE22 GLN 19 HE22 GLN 19 -3.422 6.722 -13.903 160 H GLN 20 H GLN 20 -4.020 1.498 -11.414 161 HA GLN 20 HA GLN 20 -2.187 -0.748 -11.491 162 HB2 GLN 20 HB2 GLN 20 -3.425 0.552 -9.439 163 HB3 GLN 20 HB3 GLN 20 -4.467 -0.852 -9.629 164 HG2 GLN 20 HG2 GLN 20 -2.219 -2.169 -9.608 165 HG3 GLN 20 HG3 GLN 20 -1.601 -0.713 -8.829 166 HE21 GLN 20 HE21 GLN 20 -3.744 0.045 -7.310 167 HE22 GLN 20 HE22 GLN 20 -4.050 -1.146 -6.097 168 H GLU 21 H GLU 21 -3.755 -2.827 -10.608 169 HA GLU 21 HA GLU 21 -4.629 -4.045 -12.899 170 HB2 GLU 21 HB2 GLU 21 -5.851 -5.615 -11.472 171 HB3 GLU 21 HB3 GLU 21 -4.270 -5.244 -10.798 172 HG2 GLU 21 HG2 GLU 21 -5.593 -3.445 -9.446 173 HG3 GLU 21 HG3 GLU 21 -6.975 -4.473 -9.822 174 H GLU 22 H GLU 22 -6.412 -1.881 -10.793 175 HA GLU 22 HA GLU 22 -8.785 -2.173 -12.502 176 HB2 GLU 22 HB2 GLU 22 -8.593 -0.795 -9.820 177 HB3 GLU 22 HB3 GLU 22 -10.060 -1.182 -10.709 178 HG2 GLU 22 HG2 GLU 22 -9.230 -3.631 -10.503 179 HG3 GLU 22 HG3 GLU 22 -8.233 -2.992 -9.198 180 H GLY 23 H GLY 23 -6.197 -0.080 -11.743 181 HA2 GLY 23 HA2 GLY 23 -5.622 2.004 -12.513 182 HA3 GLY 23 HA3 GLY 23 -6.815 1.753 -13.778 183 HA PRO 24 HA PRO 24 -9.216 3.819 -10.127 184 HB2 PRO 24 HB2 PRO 24 -7.741 4.657 -8.007 185 HB3 PRO 24 HB3 PRO 24 -8.457 3.043 -8.102 186 HG2 PRO 24 HG2 PRO 24 -5.649 3.907 -8.676 187 HG3 PRO 24 HG3 PRO 24 -6.222 2.479 -7.795 188 HD2 PRO 24 HD2 PRO 24 -5.392 2.366 -10.370 189 HD3 PRO 24 HD3 PRO 24 -6.665 1.307 -9.730 190 H ASP 25 H ASP 25 -6.389 5.507 -9.014 191 HA ASP 25 HA ASP 25 -5.942 7.393 -10.955 192 HB2 ASP 25 HB2 ASP 25 -7.344 9.319 -9.872 193 HB3 ASP 25 HB3 ASP 25 -8.099 8.238 -11.041 194 H VAL 26 H VAL 26 -3.910 7.199 -9.996 195 HA VAL 26 HA VAL 26 -3.619 8.365 -7.311 196 HB VAL 26 HB VAL 26 -2.604 6.014 -8.221 197 HG11 VAL 26 HG11 VAL 26 -1.143 7.375 -9.786 198 HG12 VAL 26 HG12 VAL 26 -0.272 7.907 -8.346 199 HG13 VAL 26 HG13 VAL 26 -0.319 6.195 -8.767 200 HG21 VAL 26 HG21 VAL 26 -2.733 6.866 -5.890 201 HG22 VAL 26 HG22 VAL 26 -1.230 6.016 -6.248 202 HG23 VAL 26 HG23 VAL 26 -1.252 7.778 -6.183 203 H PHE 27 H PHE 27 -2.184 10.035 -6.931 204 HA PHE 27 HA PHE 27 -1.408 11.552 -9.313 205 HB2 PHE 27 HB2 PHE 27 -2.736 12.400 -7.128 206 HB3 PHE 27 HB3 PHE 27 -1.087 12.739 -6.615 207 HD1 PHE 27 HD1 PHE 27 0.268 13.660 -8.943 208 HD2 PHE 27 HD2 PHE 27 -3.763 14.347 -7.764 209 HE1 PHE 27 HE1 PHE 27 0.245 15.745 -10.249 210 HE2 PHE 27 HE2 PHE 27 -3.793 16.433 -9.068 211 HZ PHE 27 HZ PHE 27 -1.787 17.135 -10.312 212 H VAL 28 H VAL 28 0.631 11.565 -9.966 213 HA VAL 28 HA VAL 28 2.767 11.183 -7.981 214 HB VAL 28 HB VAL 28 3.874 9.562 -9.185 215 HG11 VAL 28 HG11 VAL 28 1.334 9.017 -8.525 216 HG12 VAL 28 HG12 VAL 28 1.267 8.676 -10.256 217 HG13 VAL 28 HG13 VAL 28 2.425 7.825 -9.232 218 HG21 VAL 28 HG21 VAL 28 4.080 10.630 -11.292 219 HG22 VAL 28 HG22 VAL 28 3.337 9.060 -11.600 220 HG23 VAL 28 HG23 VAL 28 2.346 10.519 -11.596 221 H HIS 29 H HIS 29 4.615 12.359 -8.307 222 HA HIS 29 HA HIS 29 4.569 14.237 -10.578 223 HB2 HIS 29 HB2 HIS 29 5.440 14.602 -7.721 224 HB3 HIS 29 HB3 HIS 29 6.024 15.668 -8.995 225 HD1 HIS 29 HD1 HIS 29 4.798 17.720 -8.070 226 HD2 HIS 29 HD2 HIS 29 2.283 14.541 -8.981 227 HE1 HIS 29 HE1 HIS 29 2.467 18.660 -7.982 228 H PHE 30 H PHE 30 6.621 14.883 -11.455 229 HA PHE 30 HA PHE 30 8.336 12.783 -12.041 230 HB2 PHE 30 HB2 PHE 30 9.679 14.345 -13.184 231 HB3 PHE 30 HB3 PHE 30 8.059 15.031 -13.248 232 HD1 PHE 30 HD2 PHE 30 7.563 16.510 -10.995 233 HD2 PHE 30 HD1 PHE 30 11.345 15.865 -12.838 234 HE1 PHE 30 HE2 PHE 30 8.404 18.592 -9.989 235 HE2 PHE 30 HE1 PHE 30 12.193 17.945 -11.834 236 HZ PHE 30 HZ PHE 30 10.722 19.311 -10.407 237 H THR 31 H THR 31 8.298 14.914 -9.322 238 HA THR 31 HA THR 31 10.994 14.151 -8.501 239 HB THR 31 HB THR 31 10.271 16.512 -8.239 240 HG1 THR 31 HG1 THR 31 11.879 15.674 -6.847 241 HG21 THR 31 HG21 THR 31 8.635 17.157 -6.635 242 HG22 THR 31 HG22 THR 31 8.480 15.506 -6.033 243 HG23 THR 31 HG23 THR 31 7.891 15.917 -7.643 244 H ALA 32 H ALA 32 8.636 12.286 -8.574 245 HA ALA 32 HA ALA 32 8.766 11.433 -5.755 246 HB1 ALA 32 HB1 ALA 32 6.427 11.341 -7.645 247 HB2 ALA 32 HB2 ALA 32 6.497 10.401 -6.153 248 HB3 ALA 32 HB3 ALA 32 6.541 12.163 -6.088 249 H ILE 33 H ILE 33 9.750 10.737 -8.799 250 HA ILE 33 HA ILE 33 9.386 7.853 -8.655 251 HB ILE 33 HB ILE 33 10.721 9.596 -10.726 252 HG12 ILE 33 HG12 ILE 33 8.750 8.521 -12.076 253 HG13 ILE 33 HG13 ILE 33 8.053 8.248 -10.483 254 HG21 ILE 33 HG21 ILE 33 10.736 6.676 -10.327 255 HG22 ILE 33 HG22 ILE 33 10.396 7.230 -11.965 256 HG23 ILE 33 HG23 ILE 33 11.889 7.715 -11.162 257 HD11 ILE 33 HD11 ILE 33 8.926 10.926 -10.557 258 HD12 ILE 33 HD12 ILE 33 8.051 10.613 -12.056 259 HD13 ILE 33 HD13 ILE 33 7.274 10.312 -10.502 260 H GLU 34 H GLU 34 10.833 6.497 -7.827 261 HA GLU 34 HA GLU 34 13.532 7.523 -7.256 262 HB2 GLU 34 HB2 GLU 34 12.118 5.217 -5.910 263 HB3 GLU 34 HB3 GLU 34 13.646 5.942 -5.431 264 HG2 GLU 34 HG2 GLU 34 11.609 7.952 -5.537 265 HG3 GLU 34 HG3 GLU 34 11.074 6.599 -4.541 266 H ALA 35 H ALA 35 14.372 6.981 -9.303 267 HA ALA 35 HA ALA 35 14.548 4.096 -9.867 268 HB1 ALA 35 HB1 ALA 35 15.317 6.111 -11.912 269 HB2 ALA 35 HB2 ALA 35 14.575 4.524 -12.109 270 HB3 ALA 35 HB3 ALA 35 13.603 5.889 -11.559 271 H ASP 36 H ASP 36 16.670 3.736 -11.308 272 HA ASP 36 HA ASP 36 18.869 4.450 -9.538 273 HB2 ASP 36 HB2 ASP 36 18.421 2.374 -11.638 274 HB3 ASP 36 HB3 ASP 36 20.077 2.846 -11.266 275 H GLY 37 H GLY 37 18.797 6.724 -10.252 276 HA2 GLY 37 HA2 GLY 37 20.635 7.984 -11.365 277 HA3 GLY 37 HA3 GLY 37 20.228 7.078 -12.815 278 H PHE 38 H PHE 38 19.068 8.159 -14.248 279 HA PHE 38 HA PHE 38 17.804 10.643 -13.542 280 HB2 PHE 38 HB2 PHE 38 18.095 9.115 -16.123 281 HB3 PHE 38 HB3 PHE 38 17.125 10.580 -16.014 282 HD1 PHE 38 HD2 PHE 38 18.190 12.738 -15.518 283 HD2 PHE 38 HD1 PHE 38 20.473 9.197 -16.124 284 HE1 PHE 38 HE2 PHE 38 20.209 14.102 -15.857 285 HE2 PHE 38 HE1 PHE 38 22.496 10.555 -16.463 286 HZ PHE 38 HZ PHE 38 22.366 13.011 -16.329 287 H ARG 39 H ARG 39 15.900 10.639 -12.544 288 HA ARG 39 HA ARG 39 14.066 8.502 -12.572 289 HB2 ARG 39 HB2 ARG 39 13.519 11.398 -11.894 290 HB3 ARG 39 HB3 ARG 39 12.552 10.011 -11.410 291 HG2 ARG 39 HG2 ARG 39 14.152 9.271 -9.888 292 HG3 ARG 39 HG3 ARG 39 15.432 10.238 -10.625 293 HD2 ARG 39 HD2 ARG 39 13.031 11.511 -9.351 294 HD3 ARG 39 HD3 ARG 39 14.439 11.040 -8.399 295 HE ARG 39 HE ARG 39 15.254 12.593 -10.606 296 HH11 ARG 39 HH11 ARG 39 13.620 12.874 -7.545 297 HH12 ARG 39 HH12 ARG 39 14.087 14.525 -7.300 298 HH21 ARG 39 HH21 ARG 39 15.875 14.766 -10.295 299 HH22 ARG 39 HH22 ARG 39 15.368 15.600 -8.865 300 H THR 40 H THR 40 12.354 8.034 -13.831 301 HA THR 40 HA THR 40 10.923 9.852 -15.419 302 HB THR 40 HB THR 40 12.890 10.030 -16.805 303 HG1 THR 40 HG1 THR 40 10.666 9.635 -17.748 304 HG21 THR 40 HG21 THR 40 13.238 7.295 -16.141 305 HG22 THR 40 HG22 THR 40 14.325 8.345 -17.050 306 HG23 THR 40 HG23 THR 40 13.096 7.403 -17.894 307 H LEU 41 H LEU 41 9.120 8.915 -16.340 308 HA LEU 41 HA LEU 41 8.793 6.040 -15.806 309 HB2 LEU 41 HB2 LEU 41 7.180 8.314 -15.211 310 HB3 LEU 41 HB3 LEU 41 6.296 7.272 -16.325 311 HG LEU 41 HG LEU 41 5.709 6.765 -14.027 312 HD11 LEU 41 HD11 LEU 41 5.589 4.907 -15.486 313 HD12 LEU 41 HD12 LEU 41 6.370 4.335 -14.012 314 HD13 LEU 41 HD13 LEU 41 7.337 4.672 -15.448 315 HD21 LEU 41 HD21 LEU 41 7.191 6.805 -12.377 316 HD22 LEU 41 HD22 LEU 41 8.448 7.206 -13.547 317 HD23 LEU 41 HD23 LEU 41 8.126 5.519 -13.141 318 H ASN 42 H ASN 42 7.787 4.713 -17.341 319 HA ASN 42 HA ASN 42 7.727 5.833 -20.066 320 HB2 ASN 42 HB2 ASN 42 8.469 3.055 -19.130 321 HB3 ASN 42 HB3 ASN 42 8.239 3.491 -20.821 322 HD21 ASN 42 HD21 ASN 42 10.353 3.505 -18.155 323 HD22 ASN 42 HD22 ASN 42 11.680 4.311 -18.913 324 H GLU 43 H GLU 43 5.838 5.796 -21.090 325 HA GLU 43 HA GLU 43 3.471 4.899 -19.883 326 HB2 GLU 43 HB2 GLU 43 3.439 6.656 -21.549 327 HB3 GLU 43 HB3 GLU 43 4.061 5.559 -22.772 328 HG2 GLU 43 HG2 GLU 43 1.985 4.206 -22.514 329 HG3 GLU 43 HG3 GLU 43 1.363 5.466 -21.450 330 H GLY 44 H GLY 44 2.755 2.899 -19.604 331 HA2 GLY 44 HA2 GLY 44 1.981 0.815 -20.442 332 HA3 GLY 44 HA3 GLY 44 3.161 0.930 -21.739 333 H GLU 45 H GLU 45 4.658 1.806 -18.913 334 HA GLU 45 HA GLU 45 5.844 -0.865 -18.659 335 HB2 GLU 45 HB2 GLU 45 7.391 0.971 -19.160 336 HB3 GLU 45 HB3 GLU 45 6.864 1.819 -17.713 337 HG2 GLU 45 HG2 GLU 45 7.767 0.068 -16.315 338 HG3 GLU 45 HG3 GLU 45 8.217 -0.869 -17.738 339 H HIS 46 H HIS 46 6.325 -1.711 -16.550 340 HA HIS 46 HA HIS 46 4.190 -1.175 -14.665 341 HB2 HIS 46 HB2 HIS 46 6.418 -3.170 -14.298 342 HB3 HIS 46 HB3 HIS 46 4.801 -3.200 -13.602 343 HD1 HIS 46 HD1 HIS 46 3.012 -4.395 -14.902 344 HD2 HIS 46 HD2 HIS 46 6.488 -3.832 -17.106 345 HE1 HIS 46 HE1 HIS 46 2.694 -5.729 -17.010 346 H VAL 47 H VAL 47 4.409 -0.362 -12.621 347 HA VAL 47 HA VAL 47 6.997 0.163 -11.470 348 HB VAL 47 HB VAL 47 6.443 2.654 -11.210 349 HG11 VAL 47 HG11 VAL 47 7.950 3.093 -12.835 350 HG12 VAL 47 HG12 VAL 47 8.071 1.333 -12.896 351 HG13 VAL 47 HG13 VAL 47 7.056 2.190 -14.057 352 HG21 VAL 47 HG21 VAL 47 4.849 3.650 -12.477 353 HG22 VAL 47 HG22 VAL 47 5.034 2.507 -13.807 354 HG23 VAL 47 HG23 VAL 47 4.110 2.052 -12.376 355 H GLU 48 H GLU 48 6.901 0.420 -9.282 356 HA GLU 48 HA GLU 48 4.248 0.135 -8.076 357 HB2 GLU 48 HB2 GLU 48 5.644 -1.569 -7.293 358 HB3 GLU 48 HB3 GLU 48 7.033 -0.500 -7.158 359 HG2 GLU 48 HG2 GLU 48 6.122 0.552 -5.217 360 HG3 GLU 48 HG3 GLU 48 4.595 -0.307 -5.409 361 H PHE 49 H PHE 49 3.307 1.749 -7.018 362 HA PHE 49 HA PHE 49 4.973 4.036 -6.193 363 HB2 PHE 49 HB2 PHE 49 2.890 5.416 -6.519 364 HB3 PHE 49 HB3 PHE 49 3.574 4.752 -7.999 365 HD1 PHE 49 HD1 PHE 49 2.504 2.757 -9.050 366 HD2 PHE 49 HD2 PHE 49 0.706 4.881 -5.829 367 HE1 PHE 49 HE1 PHE 49 0.332 1.740 -9.596 368 HE2 PHE 49 HE2 PHE 49 -1.469 3.866 -6.370 369 HZ PHE 49 HZ PHE 49 -1.659 2.294 -8.256 370 H GLU 50 H GLU 50 4.523 5.031 -4.224 371 HA GLU 50 HA GLU 50 2.927 3.390 -2.380 372 HB2 GLU 50 HB2 GLU 50 5.538 4.434 -2.190 373 HB3 GLU 50 HB3 GLU 50 4.562 5.351 -1.052 374 HG2 GLU 50 HG2 GLU 50 3.714 2.954 -0.370 375 HG3 GLU 50 HG3 GLU 50 5.261 2.467 -1.061 376 H VAL 51 H VAL 51 0.901 4.249 -2.568 377 HA VAL 51 HA VAL 51 0.300 6.990 -2.785 378 HB VAL 51 HB VAL 51 -1.998 6.373 -2.180 379 HG11 VAL 51 HG11 VAL 51 -0.583 5.576 -4.400 380 HG12 VAL 51 HG12 VAL 51 -1.404 4.098 -3.897 381 HG13 VAL 51 HG13 VAL 51 -2.338 5.557 -4.231 382 HG21 VAL 51 HG21 VAL 51 -2.368 4.690 -0.778 383 HG22 VAL 51 HG22 VAL 51 -1.844 3.563 -2.030 384 HG23 VAL 51 HG23 VAL 51 -0.677 4.199 -0.870 385 H GLU 52 H GLU 52 0.385 8.564 -1.330 386 HA GLU 52 HA GLU 52 0.385 7.833 1.525 387 HB2 GLU 52 HB2 GLU 52 2.141 9.541 -0.047 388 HB3 GLU 52 HB3 GLU 52 1.469 10.387 1.340 389 HG2 GLU 52 HG2 GLU 52 2.229 7.980 2.412 390 HG3 GLU 52 HG3 GLU 52 3.488 8.296 1.219 391 HA PRO 53 HA PRO 53 -3.120 10.363 2.265 392 HB2 PRO 53 HB2 PRO 53 -2.520 11.511 4.651 393 HB3 PRO 53 HB3 PRO 53 -2.938 9.801 4.486 394 HG2 PRO 53 HG2 PRO 53 -0.241 11.078 4.723 395 HG3 PRO 53 HG3 PRO 53 -0.858 9.614 5.509 396 HD2 PRO 53 HD2 PRO 53 0.749 9.531 3.332 397 HD3 PRO 53 HD3 PRO 53 -0.501 8.309 3.642 398 H GLY 54 H GLY 54 -1.035 12.525 4.030 399 HA2 GLY 54 HA2 GLY 54 -1.932 14.766 2.473 400 HA3 GLY 54 HA3 GLY 54 -0.819 14.817 3.831 401 H ARG 55 H ARG 55 -0.799 13.380 0.564 402 HA ARG 55 HA ARG 55 1.724 14.799 0.055 403 HB2 ARG 55 HB2 ARG 55 1.305 11.933 0.222 404 HB3 ARG 55 HB3 ARG 55 1.920 12.400 -1.357 405 HG2 ARG 55 HG2 ARG 55 3.701 11.814 0.234 406 HG3 ARG 55 HG3 ARG 55 3.826 13.474 -0.351 407 HD2 ARG 55 HD2 ARG 55 3.159 14.375 1.675 408 HD3 ARG 55 HD3 ARG 55 2.360 12.888 2.187 409 HE ARG 55 HE ARG 55 5.093 12.367 1.947 410 HH11 ARG 55 HH11 ARG 55 2.929 14.265 3.905 411 HH12 ARG 55 HH12 ARG 55 3.947 14.217 5.307 412 HH21 ARG 55 HH21 ARG 55 6.441 12.296 3.786 413 HH22 ARG 55 HH22 ARG 55 5.944 13.097 5.238 414 H GLY 56 H GLY 56 -1.047 13.068 -1.310 415 HA2 GLY 56 HA2 GLY 56 -0.549 14.273 -3.928 416 HA3 GLY 56 HA3 GLY 56 -1.741 13.034 -3.566 417 H GLY 57 H GLY 57 -1.696 15.900 -4.792 418 HA2 GLY 57 HA2 GLY 57 -3.129 17.701 -3.304 419 HA3 GLY 57 HA3 GLY 57 -3.317 17.514 -5.041 420 H LYS 58 H LYS 58 -4.337 14.803 -4.880 421 HA LYS 58 HA LYS 58 -7.073 15.466 -4.080 422 HB2 LYS 58 HB2 LYS 58 -5.976 13.242 -5.809 423 HB3 LYS 58 HB3 LYS 58 -7.679 13.442 -5.415 424 HG2 LYS 58 HG2 LYS 58 -6.277 15.762 -6.609 425 HG3 LYS 58 HG3 LYS 58 -6.613 14.380 -7.654 426 HD2 LYS 58 HD2 LYS 58 -8.661 15.220 -7.925 427 HD3 LYS 58 HD3 LYS 58 -8.977 14.774 -6.246 428 HE2 LYS 58 HE2 LYS 58 -9.491 16.992 -6.144 429 HE3 LYS 58 HE3 LYS 58 -7.767 17.083 -5.789 430 HZ1 LYS 58 HZ1 LYS 58 -8.654 17.246 -8.583 431 HZ2 LYS 58 HZ2 LYS 58 -7.293 17.928 -7.847 432 HZ3 LYS 58 HZ3 LYS 58 -8.821 18.608 -7.593 433 H GLY 59 H GLY 59 -4.403 13.481 -3.187 434 HA2 GLY 59 HA2 GLY 59 -5.025 12.806 -0.698 435 HA3 GLY 59 HA3 GLY 59 -6.050 11.685 -1.583 436 HA PRO 60 HA PRO 60 -2.703 8.847 -1.671 437 HB2 PRO 60 HB2 PRO 60 -3.409 7.370 -3.837 438 HB3 PRO 60 HB3 PRO 60 -4.249 7.262 -2.286 439 HG2 PRO 60 HG2 PRO 60 -5.014 8.775 -4.753 440 HG3 PRO 60 HG3 PRO 60 -6.033 7.802 -3.676 441 HD2 PRO 60 HD2 PRO 60 -5.947 10.505 -3.550 442 HD3 PRO 60 HD3 PRO 60 -6.219 9.490 -2.119 443 H GLN 61 H GLN 61 -0.728 9.539 -2.223 444 HA GLN 61 HA GLN 61 -0.235 10.230 -5.045 445 HB2 GLN 61 HB2 GLN 61 0.301 12.237 -4.143 446 HB3 GLN 61 HB3 GLN 61 0.547 11.565 -2.537 447 HG2 GLN 61 HG2 GLN 61 2.653 12.305 -3.129 448 HG3 GLN 61 HG3 GLN 61 2.714 10.584 -3.508 449 HE21 GLN 61 HE21 GLN 61 1.423 13.419 -5.207 450 HE22 GLN 61 HE22 GLN 61 2.300 13.154 -6.672 451 H ALA 62 H ALA 62 1.829 9.656 -5.915 452 HA ALA 62 HA ALA 62 2.726 7.082 -5.018 453 HB1 ALA 62 HB1 ALA 62 3.419 8.872 -7.312 454 HB2 ALA 62 HB2 ALA 62 4.426 7.473 -6.934 455 HB3 ALA 62 HB3 ALA 62 2.721 7.252 -7.326 456 H LYS 63 H LYS 63 3.231 8.477 -2.880 457 HA LYS 63 HA LYS 63 5.386 10.051 -2.486 458 HB2 LYS 63 HB2 LYS 63 4.019 9.323 -0.635 459 HB3 LYS 63 HB3 LYS 63 4.556 7.660 -0.835 460 HG2 LYS 63 HG2 LYS 63 5.923 8.228 0.865 461 HG3 LYS 63 HG3 LYS 63 6.929 8.824 -0.457 462 HD2 LYS 63 HD2 LYS 63 4.942 10.507 1.065 463 HD3 LYS 63 HD3 LYS 63 6.669 10.437 1.423 464 HE2 LYS 63 HE2 LYS 63 5.346 11.428 -1.095 465 HE3 LYS 63 HE3 LYS 63 6.279 12.365 0.071 466 HZ1 LYS 63 HZ1 LYS 63 8.082 10.557 -0.611 467 HZ2 LYS 63 HZ2 LYS 63 7.895 12.017 -1.445 468 HZ3 LYS 63 HZ3 LYS 63 7.199 10.600 -2.053 469 H LYS 64 H LYS 64 5.509 6.518 -2.845 470 HA LYS 64 HA LYS 64 8.371 6.778 -3.492 471 HB2 LYS 64 HB2 LYS 64 7.362 5.486 -1.269 472 HB3 LYS 64 HB3 LYS 64 7.588 4.173 -2.418 473 HG2 LYS 64 HG2 LYS 64 9.941 5.231 -2.751 474 HG3 LYS 64 HG3 LYS 64 9.614 5.984 -1.188 475 HD2 LYS 64 HD2 LYS 64 9.622 3.976 -0.068 476 HD3 LYS 64 HD3 LYS 64 9.154 3.054 -1.500 477 HE2 LYS 64 HE2 LYS 64 11.372 2.454 -1.221 478 HE3 LYS 64 HE3 LYS 64 11.477 3.755 -2.406 479 HZ1 LYS 64 HZ1 LYS 64 11.608 4.669 0.316 480 HZ2 LYS 64 HZ2 LYS 64 12.611 5.034 -0.995 481 HZ3 LYS 64 HZ3 LYS 64 12.876 3.627 -0.095 482 H VAL 65 H VAL 65 8.504 6.464 -5.621 483 HA VAL 65 HA VAL 65 6.892 4.314 -6.828 484 HB VAL 65 HB VAL 65 7.585 6.998 -7.727 485 HG11 VAL 65 HG11 VAL 65 7.843 6.338 -10.121 486 HG12 VAL 65 HG12 VAL 65 9.225 5.927 -9.103 487 HG13 VAL 65 HG13 VAL 65 8.078 4.675 -9.583 488 HG21 VAL 65 HG21 VAL 65 5.313 5.781 -7.469 489 HG22 VAL 65 HG22 VAL 65 5.556 6.858 -8.844 490 HG23 VAL 65 HG23 VAL 65 5.680 5.112 -9.059 491 H ARG 66 H ARG 66 7.856 2.744 -8.060 492 HA ARG 66 HA ARG 66 10.787 2.822 -8.292 493 HB2 ARG 66 HB2 ARG 66 9.105 0.491 -7.359 494 HB3 ARG 66 HB3 ARG 66 10.807 0.373 -7.788 495 HG2 ARG 66 HG2 ARG 66 10.924 2.371 -5.996 496 HG3 ARG 66 HG3 ARG 66 9.531 1.481 -5.378 497 HD2 ARG 66 HD2 ARG 66 11.423 0.573 -4.293 498 HD3 ARG 66 HD3 ARG 66 10.954 -0.600 -5.524 499 HE ARG 66 HE ARG 66 12.965 -0.257 -6.550 500 HH11 ARG 66 HH11 ARG 66 12.345 2.392 -4.379 501 HH12 ARG 66 HH12 ARG 66 13.910 3.104 -4.592 502 HH21 ARG 66 HH21 ARG 66 15.029 0.670 -6.839 503 HH22 ARG 66 HH22 ARG 66 15.435 2.124 -5.993 504 H ARG 67 H ARG 67 11.652 1.909 -10.129 505 HA ARG 67 HA ARG 67 9.862 1.651 -12.362 506 HB2 ARG 67 HB2 ARG 67 12.809 1.725 -11.967 507 HB3 ARG 67 HB3 ARG 67 12.211 0.950 -13.428 508 HG2 ARG 67 HG2 ARG 67 11.156 3.637 -12.722 509 HG3 ARG 67 HG3 ARG 67 12.792 3.511 -13.371 510 HD2 ARG 67 HD2 ARG 67 10.327 2.363 -14.673 511 HD3 ARG 67 HD3 ARG 67 11.069 3.902 -15.108 512 HE ARG 67 HE ARG 67 11.993 1.269 -15.808 513 HH11 ARG 67 HH11 ARG 67 12.889 4.604 -15.364 514 HH12 ARG 67 HH12 ARG 67 14.268 4.508 -16.409 515 HH21 ARG 67 HH21 ARG 67 13.805 1.131 -17.186 516 HH22 ARG 67 HH22 ARG 67 14.787 2.532 -17.446 517 H ILE 68 H ILE 68 9.212 -0.159 -13.394 518 HA ILE 68 HA ILE 68 10.398 -2.729 -12.642 519 HB ILE 68 HB ILE 68 7.408 -2.391 -12.754 520 HG12 ILE 68 HG12 ILE 68 8.469 -1.030 -10.904 521 HG13 ILE 68 HG13 ILE 68 7.324 -2.258 -10.373 522 HG21 ILE 68 HG21 ILE 68 8.031 -4.635 -13.113 523 HG22 ILE 68 HG22 ILE 68 9.266 -4.575 -11.856 524 HG23 ILE 68 HG23 ILE 68 7.559 -4.542 -11.416 525 HD11 ILE 68 HD11 ILE 68 9.753 -1.889 -9.288 526 HD12 ILE 68 HD12 ILE 68 8.896 -3.431 -9.283 527 HD13 ILE 68 HD13 ILE 68 10.133 -3.113 -10.499 Start of MODEL 19 1 H1 MET 1 H MET 1 0.504 -0.072 0.309 2 HA MET 1 HA MET 1 2.396 0.973 -1.689 3 HB2 MET 1 HB2 MET 1 3.451 -1.307 -1.522 4 HB3 MET 1 HB3 MET 1 3.563 -0.327 -0.066 5 HG2 MET 1 HG2 MET 1 1.188 -1.980 -0.076 6 HG3 MET 1 HG3 MET 1 2.662 -2.932 -0.247 7 HE1 MET 1 HE1 MET 1 4.401 -3.122 1.077 8 HE2 MET 1 HE2 MET 1 4.917 -1.855 2.190 9 HE3 MET 1 HE3 MET 1 4.157 -3.321 2.812 10 H LYS 2 H LYS 2 1.556 0.955 -3.665 11 HA LYS 2 HA LYS 2 0.003 -1.407 -4.498 12 HB2 LYS 2 HB2 LYS 2 -0.421 1.465 -5.344 13 HB3 LYS 2 HB3 LYS 2 -1.285 0.080 -5.997 14 HG2 LYS 2 HG2 LYS 2 -1.372 1.054 -3.149 15 HG3 LYS 2 HG3 LYS 2 -2.641 1.234 -4.362 16 HD2 LYS 2 HD2 LYS 2 -2.497 -1.360 -4.509 17 HD3 LYS 2 HD3 LYS 2 -1.719 -1.227 -2.930 18 HE2 LYS 2 HE2 LYS 2 -3.629 -0.244 -1.961 19 HE3 LYS 2 HE3 LYS 2 -4.355 0.085 -3.534 20 HZ1 LYS 2 HZ1 LYS 2 -4.402 -2.413 -3.819 21 HZ2 LYS 2 HZ2 LYS 2 -5.487 -1.766 -2.694 22 HZ3 LYS 2 HZ3 LYS 2 -4.069 -2.522 -2.164 23 H LYS 3 H LYS 3 0.242 -2.076 -6.672 24 HA LYS 3 HA LYS 3 2.533 -0.910 -8.103 25 HB2 LYS 3 HB2 LYS 3 1.989 -3.874 -7.994 26 HB3 LYS 3 HB3 LYS 3 3.417 -3.060 -8.620 27 HG2 LYS 3 HG2 LYS 3 3.955 -2.312 -6.331 28 HG3 LYS 3 HG3 LYS 3 2.568 -3.228 -5.736 29 HD2 LYS 3 HD2 LYS 3 4.423 -4.635 -5.403 30 HD3 LYS 3 HD3 LYS 3 3.634 -5.254 -6.856 31 HE2 LYS 3 HE2 LYS 3 5.259 -3.817 -8.172 32 HE3 LYS 3 HE3 LYS 3 6.134 -3.593 -6.658 33 HZ1 LYS 3 HZ1 LYS 3 5.993 -5.908 -8.382 34 HZ2 LYS 3 HZ2 LYS 3 5.843 -6.256 -6.733 35 HZ3 LYS 3 HZ3 LYS 3 7.207 -5.433 -7.303 36 H GLY 4 H GLY 4 2.232 -0.581 -10.233 37 HA2 GLY 4 HA2 GLY 4 0.466 -2.124 -11.844 38 HA3 GLY 4 HA3 GLY 4 -0.282 -0.599 -11.392 39 H THR 5 H THR 5 0.041 -1.014 -14.003 40 HA THR 5 HA THR 5 2.563 0.088 -14.911 41 HB THR 5 HB THR 5 1.598 -0.118 -17.178 42 HG1 THR 5 HG1 THR 5 -0.609 0.219 -16.595 43 HG21 THR 5 HG21 THR 5 1.361 -2.599 -17.175 44 HG22 THR 5 HG22 THR 5 1.347 -2.554 -15.412 45 HG23 THR 5 HG23 THR 5 2.777 -2.024 -16.297 46 H VAL 6 H VAL 6 2.880 2.094 -15.816 47 HA VAL 6 HA VAL 6 1.083 4.168 -14.964 48 HB VAL 6 HB VAL 6 3.729 4.167 -15.239 49 HG11 VAL 6 HG11 VAL 6 3.592 3.857 -17.694 50 HG12 VAL 6 HG12 VAL 6 2.802 5.431 -17.816 51 HG13 VAL 6 HG13 VAL 6 4.460 5.318 -17.224 52 HG21 VAL 6 HG21 VAL 6 1.837 6.008 -14.587 53 HG22 VAL 6 HG22 VAL 6 3.576 6.303 -14.555 54 HG23 VAL 6 HG23 VAL 6 2.625 6.789 -15.958 55 H LYS 7 H LYS 7 -0.141 5.541 -16.222 56 HA LYS 7 HA LYS 7 -0.800 4.524 -18.887 57 HB2 LYS 7 HB2 LYS 7 -2.509 5.033 -16.973 58 HB3 LYS 7 HB3 LYS 7 -2.321 6.702 -17.497 59 HG2 LYS 7 HG2 LYS 7 -4.187 5.931 -18.658 60 HG3 LYS 7 HG3 LYS 7 -2.877 5.846 -19.837 61 HD2 LYS 7 HD2 LYS 7 -3.223 3.416 -18.233 62 HD3 LYS 7 HD3 LYS 7 -4.602 3.812 -19.262 63 HE2 LYS 7 HE2 LYS 7 -2.490 4.230 -20.945 64 HE3 LYS 7 HE3 LYS 7 -1.920 2.873 -19.974 65 HZ1 LYS 7 HZ1 LYS 7 -4.443 2.992 -21.534 66 HZ2 LYS 7 HZ2 LYS 7 -4.008 1.716 -20.514 67 HZ3 LYS 7 HZ3 LYS 7 -3.081 2.054 -21.888 68 H TRP 8 H TRP 8 0.519 7.304 -17.254 69 HA TRP 8 HA TRP 8 1.741 8.328 -19.559 70 HB2 TRP 8 HB2 TRP 8 0.443 10.357 -19.951 71 HB3 TRP 8 HB3 TRP 8 -0.566 8.933 -20.191 72 HD1 TRP 8 HD1 TRP 8 0.102 11.594 -17.450 73 HE1 TRP 8 HE1 TRP 8 -2.088 11.954 -16.146 74 HE3 TRP 8 HE3 TRP 8 -2.793 8.052 -19.733 75 HZ2 TRP 8 HZ2 TRP 8 -4.697 10.878 -16.093 76 HZ3 TRP 8 HZ3 TRP 8 -5.125 7.781 -18.996 77 HH2 TRP 8 HH2 TRP 8 -6.055 9.165 -17.213 78 H PHE 9 H PHE 9 3.165 9.997 -19.093 79 HA PHE 9 HA PHE 9 3.086 11.125 -16.389 80 HB2 PHE 9 HB2 PHE 9 4.577 9.212 -16.225 81 HB3 PHE 9 HB3 PHE 9 5.482 9.761 -17.632 82 HD1 PHE 9 HD2 PHE 9 6.943 11.721 -17.481 83 HD2 PHE 9 HD1 PHE 9 4.924 10.172 -14.069 84 HE1 PHE 9 HE2 PHE 9 8.448 13.000 -16.014 85 HE2 PHE 9 HE1 PHE 9 6.425 11.450 -12.596 86 HZ PHE 9 HZ PHE 9 8.191 12.865 -13.568 87 H ASN 10 H ASN 10 2.777 13.213 -16.900 88 HA ASN 10 HA ASN 10 3.926 14.460 -19.193 89 HB2 ASN 10 HB2 ASN 10 1.769 15.127 -18.012 90 HB3 ASN 10 HB3 ASN 10 2.785 15.880 -16.787 91 HD21 ASN 10 HD21 ASN 10 0.875 16.802 -19.017 92 HD22 ASN 10 HD22 ASN 10 1.744 18.093 -19.768 93 H ALA 11 H ALA 11 6.068 14.706 -19.314 94 HA ALA 11 HA ALA 11 7.696 15.175 -16.988 95 HB1 ALA 11 HB1 ALA 11 8.130 14.501 -19.790 96 HB2 ALA 11 HB2 ALA 11 9.321 15.636 -19.153 97 HB3 ALA 11 HB3 ALA 11 9.075 14.079 -18.361 98 H GLU 12 H GLU 12 6.435 17.083 -19.661 99 HA GLU 12 HA GLU 12 7.971 19.387 -19.360 100 HB2 GLU 12 HB2 GLU 12 5.259 18.806 -20.455 101 HB3 GLU 12 HB3 GLU 12 5.704 20.486 -20.193 102 HG2 GLU 12 HG2 GLU 12 7.267 18.524 -21.854 103 HG3 GLU 12 HG3 GLU 12 6.139 19.721 -22.487 104 H LYS 13 H LYS 13 4.984 18.415 -17.732 105 HA LYS 13 HA LYS 13 4.950 20.837 -16.135 106 HB2 LYS 13 HB2 LYS 13 3.170 18.393 -16.080 107 HB3 LYS 13 HB3 LYS 13 2.915 19.846 -15.123 108 HG2 LYS 13 HG2 LYS 13 3.031 20.963 -17.541 109 HG3 LYS 13 HG3 LYS 13 2.451 19.360 -18.001 110 HD2 LYS 13 HD2 LYS 13 0.585 19.572 -16.456 111 HD3 LYS 13 HD3 LYS 13 1.182 21.144 -15.922 112 HE2 LYS 13 HE2 LYS 13 -0.599 21.486 -17.497 113 HE3 LYS 13 HE3 LYS 13 0.921 21.973 -18.246 114 HZ1 LYS 13 HZ1 LYS 13 0.054 19.220 -18.667 115 HZ2 LYS 13 HZ2 LYS 13 0.845 20.278 -19.723 116 HZ3 LYS 13 HZ3 LYS 13 -0.821 20.427 -19.467 117 H GLY 14 H GLY 14 5.781 17.446 -15.790 118 HA2 GLY 14 HA2 GLY 14 7.396 16.692 -14.220 119 HA3 GLY 14 HA3 GLY 14 7.027 18.084 -13.213 120 H TYR 15 H TYR 15 4.403 16.279 -14.546 121 HA TYR 15 HA TYR 15 4.020 14.890 -11.981 122 HB2 TYR 15 HB2 TYR 15 1.733 16.117 -13.512 123 HB3 TYR 15 HB3 TYR 15 1.742 15.517 -11.857 124 HD1 TYR 15 HD2 TYR 15 4.045 16.793 -10.658 125 HD2 TYR 15 HD1 TYR 15 1.244 18.378 -13.441 126 HE1 TYR 15 HE2 TYR 15 4.520 19.061 -9.835 127 HE2 TYR 15 HE1 TYR 15 1.712 20.651 -12.627 128 HH TYR 15 HH TYR 15 4.019 21.217 -9.984 129 H GLY 16 H GLY 16 2.045 13.302 -12.264 130 HA2 GLY 16 HA2 GLY 16 1.592 12.186 -14.837 131 HA3 GLY 16 HA3 GLY 16 2.828 11.271 -13.986 132 H PHE 17 H PHE 17 0.644 9.913 -14.663 133 HA PHE 17 HA PHE 17 -0.634 9.435 -12.076 134 HB2 PHE 17 HB2 PHE 17 -2.079 9.933 -14.675 135 HB3 PHE 17 HB3 PHE 17 -2.827 9.064 -13.339 136 HD1 PHE 17 HD2 PHE 17 -1.307 12.297 -14.301 137 HD2 PHE 17 HD1 PHE 17 -3.781 10.213 -11.535 138 HE1 PHE 17 HE2 PHE 17 -1.978 14.439 -13.293 139 HE2 PHE 17 HE1 PHE 17 -4.457 12.352 -10.523 140 HZ PHE 17 HZ PHE 17 -3.556 14.468 -11.402 141 H ILE 18 H ILE 18 -0.538 7.354 -11.560 142 HA ILE 18 HA ILE 18 0.119 5.417 -13.655 143 HB ILE 18 HB ILE 18 0.208 5.072 -10.655 144 HG12 ILE 18 HG12 ILE 18 2.627 5.267 -12.412 145 HG13 ILE 18 HG13 ILE 18 1.823 6.742 -11.885 146 HG21 ILE 18 HG21 ILE 18 1.694 3.120 -11.316 147 HG22 ILE 18 HG22 ILE 18 -0.034 2.939 -11.616 148 HG23 ILE 18 HG23 ILE 18 1.056 3.325 -12.948 149 HD11 ILE 18 HD11 ILE 18 3.443 6.456 -10.280 150 HD12 ILE 18 HD12 ILE 18 2.039 5.703 -9.521 151 HD13 ILE 18 HD13 ILE 18 3.279 4.700 -10.274 152 H GLN 19 H GLN 19 -0.982 3.426 -13.838 153 HA GLN 19 HA GLN 19 -3.674 3.408 -12.641 154 HB2 GLN 19 HB2 GLN 19 -2.783 2.990 -15.446 155 HB3 GLN 19 HB3 GLN 19 -4.102 1.984 -14.863 156 HG2 GLN 19 HG2 GLN 19 -4.459 4.374 -16.005 157 HG3 GLN 19 HG3 GLN 19 -5.564 3.689 -14.815 158 HE21 GLN 19 HE21 GLN 19 -3.024 6.005 -15.373 159 HE22 GLN 19 HE22 GLN 19 -3.284 6.935 -13.941 160 H GLN 20 H GLN 20 -4.074 1.713 -11.393 161 HA GLN 20 HA GLN 20 -2.250 -0.552 -11.428 162 HB2 GLN 20 HB2 GLN 20 -3.489 0.791 -9.390 163 HB3 GLN 20 HB3 GLN 20 -4.517 -0.626 -9.559 164 HG2 GLN 20 HG2 GLN 20 -2.359 -1.984 -9.461 165 HG3 GLN 20 HG3 GLN 20 -1.602 -0.501 -8.883 166 HE21 GLN 20 HE21 GLN 20 -1.975 -3.050 -7.525 167 HE22 GLN 20 HE22 GLN 20 -2.870 -2.703 -6.089 168 H GLU 21 H GLU 21 -3.888 -2.578 -10.500 169 HA GLU 21 HA GLU 21 -4.761 -3.833 -12.766 170 HB2 GLU 21 HB2 GLU 21 -6.094 -5.301 -11.310 171 HB3 GLU 21 HB3 GLU 21 -4.495 -4.997 -10.645 172 HG2 GLU 21 HG2 GLU 21 -5.744 -3.080 -9.362 173 HG3 GLU 21 HG3 GLU 21 -7.155 -4.085 -9.684 174 H GLU 22 H GLU 22 -6.532 -1.567 -10.751 175 HA GLU 22 HA GLU 22 -8.860 -1.816 -12.527 176 HB2 GLU 22 HB2 GLU 22 -8.717 -0.395 -9.867 177 HB3 GLU 22 HB3 GLU 22 -10.163 -0.775 -10.790 178 HG2 GLU 22 HG2 GLU 22 -9.339 -3.238 -10.507 179 HG3 GLU 22 HG3 GLU 22 -8.437 -2.562 -9.151 180 H GLY 23 H GLY 23 -6.214 0.183 -11.778 181 HA2 GLY 23 HA2 GLY 23 -5.563 2.250 -12.532 182 HA3 GLY 23 HA3 GLY 23 -6.716 2.008 -13.837 183 HA PRO 24 HA PRO 24 -9.219 4.194 -10.334 184 HB2 PRO 24 HB2 PRO 24 -7.839 4.974 -8.129 185 HB3 PRO 24 HB3 PRO 24 -8.613 3.391 -8.268 186 HG2 PRO 24 HG2 PRO 24 -5.743 4.139 -8.674 187 HG3 PRO 24 HG3 PRO 24 -6.425 2.736 -7.830 188 HD2 PRO 24 HD2 PRO 24 -5.449 2.587 -10.352 189 HD3 PRO 24 HD3 PRO 24 -6.800 1.582 -9.790 190 H ASP 25 H ASP 25 -6.388 5.763 -9.061 191 HA ASP 25 HA ASP 25 -5.788 7.637 -10.987 192 HB2 ASP 25 HB2 ASP 25 -7.935 8.546 -11.090 193 HB3 ASP 25 HB3 ASP 25 -8.206 8.354 -9.361 194 H VAL 26 H VAL 26 -3.777 7.468 -10.053 195 HA VAL 26 HA VAL 26 -3.490 8.504 -7.312 196 HB VAL 26 HB VAL 26 -2.452 6.191 -8.416 197 HG11 VAL 26 HG11 VAL 26 -0.081 6.464 -8.600 198 HG12 VAL 26 HG12 VAL 26 -0.851 7.622 -9.687 199 HG13 VAL 26 HG13 VAL 26 -0.190 8.164 -8.143 200 HG21 VAL 26 HG21 VAL 26 -2.817 6.940 -6.001 201 HG22 VAL 26 HG22 VAL 26 -1.444 5.880 -6.319 202 HG23 VAL 26 HG23 VAL 26 -1.188 7.610 -6.090 203 H PHE 27 H PHE 27 -2.073 10.160 -6.866 204 HA PHE 27 HA PHE 27 -1.227 11.732 -9.187 205 HB2 PHE 27 HB2 PHE 27 -2.593 12.536 -7.012 206 HB3 PHE 27 HB3 PHE 27 -0.953 12.832 -6.445 207 HD1 PHE 27 HD1 PHE 27 0.438 13.747 -8.804 208 HD2 PHE 27 HD2 PHE 27 -3.532 14.576 -7.513 209 HE1 PHE 27 HE1 PHE 27 0.483 15.872 -10.043 210 HE2 PHE 27 HE2 PHE 27 -3.494 16.702 -8.750 211 HZ PHE 27 HZ PHE 27 -1.485 17.353 -10.018 212 H VAL 28 H VAL 28 0.812 11.630 -9.823 213 HA VAL 28 HA VAL 28 2.907 11.187 -7.800 214 HB VAL 28 HB VAL 28 3.993 9.583 -9.026 215 HG11 VAL 28 HG11 VAL 28 1.430 9.065 -8.512 216 HG12 VAL 28 HG12 VAL 28 1.399 8.872 -10.266 217 HG13 VAL 28 HG13 VAL 28 2.496 7.896 -9.289 218 HG21 VAL 28 HG21 VAL 28 4.322 10.795 -11.055 219 HG22 VAL 28 HG22 VAL 28 3.620 9.234 -11.480 220 HG23 VAL 28 HG23 VAL 28 2.612 10.681 -11.469 221 H HIS 29 H HIS 29 4.806 12.315 -8.065 222 HA HIS 29 HA HIS 29 4.834 14.292 -10.251 223 HB2 HIS 29 HB2 HIS 29 5.584 14.547 -7.353 224 HB3 HIS 29 HB3 HIS 29 6.276 15.630 -8.557 225 HD1 HIS 29 HD1 HIS 29 5.028 17.611 -7.381 226 HD2 HIS 29 HD2 HIS 29 2.546 14.722 -9.041 227 HE1 HIS 29 HE1 HIS 29 2.741 18.652 -7.455 228 H PHE 30 H PHE 30 6.943 14.976 -10.996 229 HA PHE 30 HA PHE 30 8.641 12.882 -11.646 230 HB2 PHE 30 HB2 PHE 30 10.073 14.489 -12.617 231 HB3 PHE 30 HB3 PHE 30 8.463 15.193 -12.729 232 HD1 PHE 30 HD2 PHE 30 7.811 16.659 -10.591 233 HD2 PHE 30 HD1 PHE 30 11.771 15.857 -11.928 234 HE1 PHE 30 HE2 PHE 30 8.609 18.672 -9.423 235 HE2 PHE 30 HE1 PHE 30 12.576 17.869 -10.762 236 HZ PHE 30 HZ PHE 30 10.995 19.280 -9.508 237 H THR 31 H THR 31 8.540 14.849 -8.804 238 HA THR 31 HA THR 31 11.180 13.968 -7.925 239 HB THR 31 HB THR 31 10.535 16.321 -7.540 240 HG1 THR 31 HG1 THR 31 11.903 15.980 -5.960 241 HG21 THR 31 HG21 THR 31 8.842 16.900 -5.913 242 HG22 THR 31 HG22 THR 31 8.506 15.196 -5.606 243 HG23 THR 31 HG23 THR 31 8.117 15.903 -7.174 244 H ALA 32 H ALA 32 8.826 12.145 -8.211 245 HA ALA 32 HA ALA 32 8.818 11.124 -5.447 246 HB1 ALA 32 HB1 ALA 32 6.574 11.791 -7.159 247 HB2 ALA 32 HB2 ALA 32 6.510 10.121 -6.594 248 HB3 ALA 32 HB3 ALA 32 6.613 11.443 -5.430 249 H ILE 33 H ILE 33 9.881 10.598 -8.497 250 HA ILE 33 HA ILE 33 9.419 7.728 -8.575 251 HB ILE 33 HB ILE 33 10.895 9.582 -10.442 252 HG12 ILE 33 HG12 ILE 33 9.002 8.628 -11.972 253 HG13 ILE 33 HG13 ILE 33 8.217 8.226 -10.449 254 HG21 ILE 33 HG21 ILE 33 10.815 6.623 -10.296 255 HG22 ILE 33 HG22 ILE 33 10.693 7.362 -11.892 256 HG23 ILE 33 HG23 ILE 33 12.091 7.697 -10.871 257 HD11 ILE 33 HD11 ILE 33 8.146 10.655 -11.817 258 HD12 ILE 33 HD12 ILE 33 7.518 10.308 -10.205 259 HD13 ILE 33 HD13 ILE 33 9.154 10.936 -10.398 260 H GLU 34 H GLU 34 10.737 6.294 -7.682 261 HA GLU 34 HA GLU 34 13.504 7.115 -7.083 262 HB2 GLU 34 HB2 GLU 34 12.046 4.947 -5.598 263 HB3 GLU 34 HB3 GLU 34 13.464 5.858 -5.099 264 HG2 GLU 34 HG2 GLU 34 11.555 7.809 -5.403 265 HG3 GLU 34 HG3 GLU 34 10.642 6.451 -4.746 266 H ALA 35 H ALA 35 14.282 6.358 -9.086 267 HA ALA 35 HA ALA 35 14.491 3.428 -9.226 268 HB1 ALA 35 HB1 ALA 35 14.118 5.214 -11.626 269 HB2 ALA 35 HB2 ALA 35 14.243 3.454 -11.620 270 HB3 ALA 35 HB3 ALA 35 12.844 4.242 -10.889 271 H ASP 36 H ASP 36 16.232 2.951 -11.088 272 HA ASP 36 HA ASP 36 18.683 4.028 -10.077 273 HB2 ASP 36 HB2 ASP 36 18.188 1.646 -11.016 274 HB3 ASP 36 HB3 ASP 36 18.503 2.386 -12.583 275 H GLY 37 H GLY 37 18.096 6.298 -10.633 276 HA2 GLY 37 HA2 GLY 37 19.414 7.840 -12.067 277 HA3 GLY 37 HA3 GLY 37 18.840 6.893 -13.432 278 H PHE 38 H PHE 38 18.193 9.492 -11.312 279 HA PHE 38 HA PHE 38 15.404 9.727 -11.640 280 HB2 PHE 38 HB2 PHE 38 15.713 12.062 -10.917 281 HB3 PHE 38 HB3 PHE 38 16.609 10.942 -9.895 282 HD1 PHE 38 HD1 PHE 38 16.865 13.569 -12.428 283 HD2 PHE 38 HD2 PHE 38 19.016 10.913 -9.890 284 HE1 PHE 38 HE1 PHE 38 18.924 14.851 -12.838 285 HE2 PHE 38 HE2 PHE 38 21.079 12.192 -10.295 286 HZ PHE 38 HZ PHE 38 21.035 14.163 -11.772 287 H ARG 39 H ARG 39 14.167 10.560 -13.220 288 HA ARG 39 HA ARG 39 14.931 12.472 -15.106 289 HB2 ARG 39 HB2 ARG 39 15.850 9.811 -15.708 290 HB3 ARG 39 HB3 ARG 39 14.681 10.328 -16.916 291 HG2 ARG 39 HG2 ARG 39 15.983 12.217 -17.501 292 HG3 ARG 39 HG3 ARG 39 17.042 12.000 -16.106 293 HD2 ARG 39 HD2 ARG 39 18.182 11.223 -18.073 294 HD3 ARG 39 HD3 ARG 39 17.777 9.835 -17.065 295 HE ARG 39 HE ARG 39 15.778 10.340 -19.032 296 HH11 ARG 39 HH11 ARG 39 18.921 8.928 -18.534 297 HH12 ARG 39 HH12 ARG 39 18.772 7.812 -19.851 298 HH21 ARG 39 HH21 ARG 39 15.570 8.876 -20.769 299 HH22 ARG 39 HH22 ARG 39 16.866 7.784 -21.123 300 H THR 40 H THR 40 13.196 9.399 -15.584 301 HA THR 40 HA THR 40 10.621 10.421 -15.093 302 HB THR 40 HB THR 40 11.134 11.724 -17.167 303 HG1 THR 40 HG1 THR 40 9.102 11.337 -18.019 304 HG21 THR 40 HG21 THR 40 12.483 9.943 -18.266 305 HG22 THR 40 HG22 THR 40 11.219 10.607 -19.301 306 HG23 THR 40 HG23 THR 40 10.995 9.036 -18.532 307 H LEU 41 H LEU 41 8.928 8.951 -16.373 308 HA LEU 41 HA LEU 41 9.911 6.195 -16.078 309 HB2 LEU 41 HB2 LEU 41 7.709 7.505 -14.957 310 HB3 LEU 41 HB3 LEU 41 7.041 6.431 -16.184 311 HG LEU 41 HG LEU 41 8.158 4.526 -15.105 312 HD11 LEU 41 HD11 LEU 41 9.615 6.575 -13.793 313 HD12 LEU 41 HD12 LEU 41 9.831 4.828 -13.687 314 HD13 LEU 41 HD13 LEU 41 8.744 5.651 -12.569 315 HD21 LEU 41 HD21 LEU 41 6.812 4.620 -12.950 316 HD22 LEU 41 HD22 LEU 41 5.920 4.836 -14.456 317 HD23 LEU 41 HD23 LEU 41 6.316 6.235 -13.457 318 H ASN 42 H ASN 42 8.166 4.689 -17.344 319 HA ASN 42 HA ASN 42 8.158 5.681 -20.120 320 HB2 ASN 42 HB2 ASN 42 8.631 2.874 -19.098 321 HB3 ASN 42 HB3 ASN 42 8.421 3.286 -20.797 322 HD21 ASN 42 HD21 ASN 42 10.524 3.390 -18.061 323 HD22 ASN 42 HD22 ASN 42 11.934 3.932 -18.899 324 H GLU 43 H GLU 43 6.235 5.807 -21.068 325 HA GLU 43 HA GLU 43 3.841 5.172 -19.740 326 HB2 GLU 43 HB2 GLU 43 3.760 6.891 -21.366 327 HB3 GLU 43 HB3 GLU 43 4.464 5.862 -22.604 328 HG2 GLU 43 HG2 GLU 43 2.432 4.509 -22.641 329 HG3 GLU 43 HG3 GLU 43 1.725 5.541 -21.400 330 H GLY 44 H GLY 44 2.908 3.267 -19.430 331 HA2 GLY 44 HA2 GLY 44 1.917 1.256 -20.194 332 HA3 GLY 44 HA3 GLY 44 3.041 1.245 -21.545 333 H GLU 45 H GLU 45 4.770 1.993 -18.827 334 HA GLU 45 HA GLU 45 5.748 -0.755 -18.628 335 HB2 GLU 45 HB2 GLU 45 7.393 1.013 -19.074 336 HB3 GLU 45 HB3 GLU 45 6.929 1.825 -17.586 337 HG2 GLU 45 HG2 GLU 45 7.747 -0.026 -16.272 338 HG3 GLU 45 HG3 GLU 45 8.120 -0.934 -17.737 339 H HIS 46 H HIS 46 6.227 -1.685 -16.540 340 HA HIS 46 HA HIS 46 4.118 -1.139 -14.633 341 HB2 HIS 46 HB2 HIS 46 6.299 -3.198 -14.336 342 HB3 HIS 46 HB3 HIS 46 4.692 -3.204 -13.617 343 HD1 HIS 46 HD1 HIS 46 2.918 -4.441 -14.859 344 HD2 HIS 46 HD2 HIS 46 6.247 -3.668 -17.221 345 HE1 HIS 46 HE1 HIS 46 2.519 -5.681 -17.010 346 H VAL 47 H VAL 47 4.350 -0.335 -12.597 347 HA VAL 47 HA VAL 47 6.946 0.068 -11.413 348 HB VAL 47 HB VAL 47 6.511 2.569 -11.127 349 HG11 VAL 47 HG11 VAL 47 7.997 2.981 -12.783 350 HG12 VAL 47 HG12 VAL 47 8.066 1.219 -12.844 351 HG13 VAL 47 HG13 VAL 47 7.061 2.104 -13.992 352 HG21 VAL 47 HG21 VAL 47 4.965 3.668 -12.381 353 HG22 VAL 47 HG22 VAL 47 5.041 2.500 -13.701 354 HG23 VAL 47 HG23 VAL 47 4.134 2.119 -12.238 355 H GLU 48 H GLU 48 6.839 0.300 -9.222 356 HA GLU 48 HA GLU 48 4.183 0.037 -8.037 357 HB2 GLU 48 HB2 GLU 48 5.644 -1.630 -7.245 358 HB3 GLU 48 HB3 GLU 48 6.970 -0.494 -7.043 359 HG2 GLU 48 HG2 GLU 48 5.841 0.535 -5.164 360 HG3 GLU 48 HG3 GLU 48 4.457 -0.533 -5.388 361 H PHE 49 H PHE 49 3.200 1.646 -7.012 362 HA PHE 49 HA PHE 49 4.815 3.968 -6.183 363 HB2 PHE 49 HB2 PHE 49 2.703 5.309 -6.582 364 HB3 PHE 49 HB3 PHE 49 3.484 4.677 -8.027 365 HD1 PHE 49 HD1 PHE 49 2.533 2.649 -9.138 366 HD2 PHE 49 HD2 PHE 49 0.497 4.720 -6.026 367 HE1 PHE 49 HE1 PHE 49 0.423 1.575 -9.808 368 HE2 PHE 49 HE2 PHE 49 -1.615 3.649 -6.691 369 HZ PHE 49 HZ PHE 49 -1.654 2.074 -8.583 370 H GLU 50 H GLU 50 4.377 4.911 -4.213 371 HA GLU 50 HA GLU 50 2.663 3.325 -2.428 372 HB2 GLU 50 HB2 GLU 50 5.166 4.902 -2.019 373 HB3 GLU 50 HB3 GLU 50 4.047 4.735 -0.673 374 HG2 GLU 50 HG2 GLU 50 4.906 2.305 -2.167 375 HG3 GLU 50 HG3 GLU 50 6.000 3.041 -0.997 376 H VAL 51 H VAL 51 0.677 4.248 -2.593 377 HA VAL 51 HA VAL 51 0.164 7.002 -2.858 378 HB VAL 51 HB VAL 51 -2.145 6.488 -2.304 379 HG11 VAL 51 HG11 VAL 51 -2.485 5.513 -4.285 380 HG12 VAL 51 HG12 VAL 51 -0.726 5.456 -4.420 381 HG13 VAL 51 HG13 VAL 51 -1.612 4.055 -3.815 382 HG21 VAL 51 HG21 VAL 51 -2.704 4.079 -1.725 383 HG22 VAL 51 HG22 VAL 51 -0.998 3.887 -1.323 384 HG23 VAL 51 HG23 VAL 51 -1.985 5.051 -0.441 385 H GLU 52 H GLU 52 0.240 8.607 -1.433 386 HA GLU 52 HA GLU 52 0.332 7.925 1.431 387 HB2 GLU 52 HB2 GLU 52 1.789 9.926 -0.218 388 HB3 GLU 52 HB3 GLU 52 1.366 10.389 1.425 389 HG2 GLU 52 HG2 GLU 52 3.020 8.021 0.587 390 HG3 GLU 52 HG3 GLU 52 3.588 9.484 1.389 391 HA PRO 53 HA PRO 53 -3.248 10.314 2.270 392 HB2 PRO 53 HB2 PRO 53 -2.607 11.539 4.607 393 HB3 PRO 53 HB3 PRO 53 -2.952 9.809 4.492 394 HG2 PRO 53 HG2 PRO 53 -0.308 11.210 4.593 395 HG3 PRO 53 HG3 PRO 53 -0.826 9.736 5.432 396 HD2 PRO 53 HD2 PRO 53 0.694 9.680 3.193 397 HD3 PRO 53 HD3 PRO 53 -0.485 8.410 3.578 398 H GLY 54 H GLY 54 -1.238 12.615 3.926 399 HA2 GLY 54 HA2 GLY 54 -2.258 14.755 2.285 400 HA3 GLY 54 HA3 GLY 54 -1.199 14.919 3.678 401 H ARG 55 H ARG 55 -1.002 13.435 0.437 402 HA ARG 55 HA ARG 55 1.475 14.955 -0.003 403 HB2 ARG 55 HB2 ARG 55 1.203 12.098 0.229 404 HB3 ARG 55 HB3 ARG 55 1.741 12.518 -1.392 405 HG2 ARG 55 HG2 ARG 55 3.767 12.394 -0.410 406 HG3 ARG 55 HG3 ARG 55 3.399 14.068 0.011 407 HD2 ARG 55 HD2 ARG 55 2.384 12.040 1.886 408 HD3 ARG 55 HD3 ARG 55 4.140 12.169 1.793 409 HE ARG 55 HE ARG 55 2.906 14.722 2.056 410 HH11 ARG 55 HH11 ARG 55 3.859 11.883 3.832 411 HH12 ARG 55 HH12 ARG 55 4.031 12.723 5.338 412 HH21 ARG 55 HH21 ARG 55 3.129 15.839 4.033 413 HH22 ARG 55 HH22 ARG 55 3.614 14.973 5.451 414 H GLY 56 H GLY 56 -1.184 13.114 -1.444 415 HA2 GLY 56 HA2 GLY 56 -0.644 14.277 -4.065 416 HA3 GLY 56 HA3 GLY 56 -1.856 13.059 -3.695 417 H GLY 57 H GLY 57 -1.790 15.858 -5.026 418 HA2 GLY 57 HA2 GLY 57 -3.210 17.739 -3.626 419 HA3 GLY 57 HA3 GLY 57 -3.396 17.473 -5.353 420 H LYS 58 H LYS 58 -4.420 14.753 -5.003 421 HA LYS 58 HA LYS 58 -7.156 15.483 -4.242 422 HB2 LYS 58 HB2 LYS 58 -6.087 13.208 -5.918 423 HB3 LYS 58 HB3 LYS 58 -7.783 13.411 -5.503 424 HG2 LYS 58 HG2 LYS 58 -6.980 15.864 -6.573 425 HG3 LYS 58 HG3 LYS 58 -6.258 14.629 -7.608 426 HD2 LYS 58 HD2 LYS 58 -9.154 14.569 -6.794 427 HD3 LYS 58 HD3 LYS 58 -8.591 15.422 -8.233 428 HE2 LYS 58 HE2 LYS 58 -8.163 13.506 -9.365 429 HE3 LYS 58 HE3 LYS 58 -7.675 12.631 -7.914 430 HZ1 LYS 58 HZ1 LYS 58 -10.485 13.312 -8.585 431 HZ2 LYS 58 HZ2 LYS 58 -9.955 12.333 -7.312 432 HZ3 LYS 58 HZ3 LYS 58 -9.766 11.816 -8.911 433 H GLY 59 H GLY 59 -4.497 13.499 -3.314 434 HA2 GLY 59 HA2 GLY 59 -5.104 12.909 -0.798 435 HA3 GLY 59 HA3 GLY 59 -6.145 11.770 -1.640 436 HA PRO 60 HA PRO 60 -2.824 8.901 -1.676 437 HB2 PRO 60 HB2 PRO 60 -3.547 7.379 -3.804 438 HB3 PRO 60 HB3 PRO 60 -4.385 7.315 -2.248 439 HG2 PRO 60 HG2 PRO 60 -5.143 8.775 -4.750 440 HG3 PRO 60 HG3 PRO 60 -6.167 7.837 -3.648 441 HD2 PRO 60 HD2 PRO 60 -6.057 10.542 -3.587 442 HD3 PRO 60 HD3 PRO 60 -6.334 9.565 -2.131 443 H GLN 61 H GLN 61 -0.844 9.559 -2.249 444 HA GLN 61 HA GLN 61 -0.350 10.172 -5.089 445 HB2 GLN 61 HB2 GLN 61 0.143 12.207 -4.186 446 HB3 GLN 61 HB3 GLN 61 0.512 11.537 -2.603 447 HG2 GLN 61 HG2 GLN 61 2.678 10.816 -3.357 448 HG3 GLN 61 HG3 GLN 61 2.310 11.321 -5.005 449 HE21 GLN 61 HE21 GLN 61 1.529 13.709 -5.065 450 HE22 GLN 61 HE22 GLN 61 2.535 14.821 -4.208 451 H ALA 62 H ALA 62 1.722 9.575 -5.936 452 HA ALA 62 HA ALA 62 2.619 7.030 -4.924 453 HB1 ALA 62 HB1 ALA 62 3.530 8.667 -7.287 454 HB2 ALA 62 HB2 ALA 62 4.097 7.040 -6.909 455 HB3 ALA 62 HB3 ALA 62 2.401 7.311 -7.307 456 H LYS 63 H LYS 63 3.231 8.403 -2.870 457 HA LYS 63 HA LYS 63 5.409 10.042 -2.675 458 HB2 LYS 63 HB2 LYS 63 4.182 9.603 -0.703 459 HB3 LYS 63 HB3 LYS 63 4.427 7.866 -0.840 460 HG2 LYS 63 HG2 LYS 63 5.765 8.884 0.953 461 HG3 LYS 63 HG3 LYS 63 6.758 8.104 -0.280 462 HD2 LYS 63 HD2 LYS 63 7.777 10.197 0.267 463 HD3 LYS 63 HD3 LYS 63 7.062 10.349 -1.340 464 HE2 LYS 63 HE2 LYS 63 6.047 12.183 -0.586 465 HE3 LYS 63 HE3 LYS 63 5.026 11.112 0.374 466 HZ1 LYS 63 HZ1 LYS 63 6.618 13.056 1.368 467 HZ2 LYS 63 HZ2 LYS 63 7.571 11.677 1.589 468 HZ3 LYS 63 HZ3 LYS 63 6.017 11.745 2.254 469 H LYS 64 H LYS 64 5.407 6.517 -2.939 470 HA LYS 64 HA LYS 64 8.297 6.642 -3.497 471 HB2 LYS 64 HB2 LYS 64 6.963 4.257 -2.234 472 HB3 LYS 64 HB3 LYS 64 8.681 4.621 -2.331 473 HG2 LYS 64 HG2 LYS 64 6.720 6.257 -0.742 474 HG3 LYS 64 HG3 LYS 64 7.658 4.920 -0.073 475 HD2 LYS 64 HD2 LYS 64 9.710 6.169 -0.979 476 HD3 LYS 64 HD3 LYS 64 8.630 7.557 -1.131 477 HE2 LYS 64 HE2 LYS 64 8.081 7.339 1.270 478 HE3 LYS 64 HE3 LYS 64 9.249 6.024 1.393 479 HZ1 LYS 64 HZ1 LYS 64 10.794 7.545 1.764 480 HZ2 LYS 64 HZ2 LYS 64 9.702 8.809 1.498 481 HZ3 LYS 64 HZ3 LYS 64 10.566 8.151 0.201 482 H VAL 65 H VAL 65 8.547 6.292 -5.603 483 HA VAL 65 HA VAL 65 6.848 4.267 -6.906 484 HB VAL 65 HB VAL 65 7.731 6.912 -7.747 485 HG11 VAL 65 HG11 VAL 65 8.172 4.580 -9.604 486 HG12 VAL 65 HG12 VAL 65 8.059 6.260 -10.133 487 HG13 VAL 65 HG13 VAL 65 9.366 5.758 -9.060 488 HG21 VAL 65 HG21 VAL 65 5.387 5.735 -7.616 489 HG22 VAL 65 HG22 VAL 65 5.727 6.929 -8.868 490 HG23 VAL 65 HG23 VAL 65 5.801 5.209 -9.247 491 H ARG 66 H ARG 66 7.769 2.644 -8.094 492 HA ARG 66 HA ARG 66 10.706 2.554 -8.209 493 HB2 ARG 66 HB2 ARG 66 8.866 0.297 -7.397 494 HB3 ARG 66 HB3 ARG 66 10.589 0.124 -7.702 495 HG2 ARG 66 HG2 ARG 66 10.615 2.117 -5.883 496 HG3 ARG 66 HG3 ARG 66 9.181 1.224 -5.372 497 HD2 ARG 66 HD2 ARG 66 10.374 -0.597 -4.739 498 HD3 ARG 66 HD3 ARG 66 11.576 -0.384 -6.012 499 HE ARG 66 HE ARG 66 12.048 1.689 -4.321 500 HH11 ARG 66 HH11 ARG 66 11.805 -1.761 -3.921 501 HH12 ARG 66 HH12 ARG 66 12.916 -1.817 -2.593 502 HH21 ARG 66 HH21 ARG 66 13.512 1.629 -2.573 503 HH22 ARG 66 HH22 ARG 66 13.886 0.112 -1.827 504 H ARG 67 H ARG 67 11.589 1.646 -10.030 505 HA ARG 67 HA ARG 67 9.867 1.471 -12.325 506 HB2 ARG 67 HB2 ARG 67 12.776 1.550 -11.816 507 HB3 ARG 67 HB3 ARG 67 12.283 0.656 -13.248 508 HG2 ARG 67 HG2 ARG 67 10.955 2.701 -13.910 509 HG3 ARG 67 HG3 ARG 67 11.801 3.550 -12.616 510 HD2 ARG 67 HD2 ARG 67 12.937 3.929 -14.713 511 HD3 ARG 67 HD3 ARG 67 13.949 2.941 -13.661 512 HE ARG 67 HE ARG 67 12.458 1.225 -15.276 513 HH11 ARG 67 HH11 ARG 67 14.968 3.616 -15.590 514 HH12 ARG 67 HH12 ARG 67 15.673 2.882 -16.993 515 HH21 ARG 67 HH21 ARG 67 13.376 0.249 -17.122 516 HH22 ARG 67 HH22 ARG 67 14.766 0.967 -17.864 517 H ILE 68 H ILE 68 9.158 -0.307 -13.361 518 HA ILE 68 HA ILE 68 10.265 -2.920 -12.638 519 HB ILE 68 HB ILE 68 7.287 -2.497 -12.751 520 HG12 ILE 68 HG12 ILE 68 8.384 -1.187 -10.883 521 HG13 ILE 68 HG13 ILE 68 7.199 -2.383 -10.371 522 HG21 ILE 68 HG21 ILE 68 9.112 -4.758 -12.275 523 HG22 ILE 68 HG22 ILE 68 7.712 -4.666 -11.208 524 HG23 ILE 68 HG23 ILE 68 7.485 -4.734 -12.955 525 HD11 ILE 68 HD11 ILE 68 8.720 -3.590 -9.260 526 HD12 ILE 68 HD12 ILE 68 9.960 -3.356 -10.492 527 HD13 ILE 68 HD13 ILE 68 9.657 -2.097 -9.295 Start of MODEL 20 1 H1 MET 1 H MET 1 0.711 1.730 -0.707 2 HA MET 1 HA MET 1 2.793 0.042 -1.807 3 HB2 MET 1 HB2 MET 1 0.451 -0.650 -0.025 4 HB3 MET 1 HB3 MET 1 1.782 -1.726 -0.431 5 HG2 MET 1 HG2 MET 1 3.332 -0.420 0.784 6 HG3 MET 1 HG3 MET 1 2.182 0.903 0.961 7 HE1 MET 1 HE1 MET 1 3.307 -2.653 2.523 8 HE2 MET 1 HE2 MET 1 4.079 -1.093 2.809 9 HE3 MET 1 HE3 MET 1 3.164 -1.875 4.099 10 H LYS 2 H LYS 2 1.461 0.980 -3.913 11 HA LYS 2 HA LYS 2 -0.202 -1.296 -4.774 12 HB2 LYS 2 HB2 LYS 2 -0.491 1.603 -5.585 13 HB3 LYS 2 HB3 LYS 2 -1.424 0.268 -6.247 14 HG2 LYS 2 HG2 LYS 2 -1.438 1.159 -3.370 15 HG3 LYS 2 HG3 LYS 2 -2.682 1.516 -4.570 16 HD2 LYS 2 HD2 LYS 2 -2.739 -1.088 -4.842 17 HD3 LYS 2 HD3 LYS 2 -2.013 -1.070 -3.233 18 HE2 LYS 2 HE2 LYS 2 -4.378 -1.237 -2.962 19 HE3 LYS 2 HE3 LYS 2 -3.899 0.392 -2.489 20 HZ1 LYS 2 HZ1 LYS 2 -4.499 0.386 -5.230 21 HZ2 LYS 2 HZ2 LYS 2 -5.291 1.208 -3.982 22 HZ3 LYS 2 HZ3 LYS 2 -5.779 -0.355 -4.409 23 H LYS 3 H LYS 3 0.049 -2.005 -6.912 24 HA LYS 3 HA LYS 3 2.356 -0.895 -8.364 25 HB2 LYS 3 HB2 LYS 3 1.723 -3.841 -8.146 26 HB3 LYS 3 HB3 LYS 3 3.120 -3.113 -8.928 27 HG2 LYS 3 HG2 LYS 3 3.506 -2.126 -6.505 28 HG3 LYS 3 HG3 LYS 3 2.566 -3.549 -6.048 29 HD2 LYS 3 HD2 LYS 3 4.831 -3.862 -7.963 30 HD3 LYS 3 HD3 LYS 3 5.184 -3.668 -6.244 31 HE2 LYS 3 HE2 LYS 3 3.321 -5.529 -6.019 32 HE3 LYS 3 HE3 LYS 3 3.814 -5.891 -7.672 33 HZ1 LYS 3 HZ1 LYS 3 5.970 -6.398 -6.994 34 HZ2 LYS 3 HZ2 LYS 3 5.002 -7.103 -5.801 35 HZ3 LYS 3 HZ3 LYS 3 5.793 -5.641 -5.492 36 H GLY 4 H GLY 4 1.979 -0.456 -10.446 37 HA2 GLY 4 HA2 GLY 4 0.180 -1.998 -12.057 38 HA3 GLY 4 HA3 GLY 4 -0.506 -0.443 -11.610 39 H THR 5 H THR 5 -0.222 -0.881 -14.220 40 HA THR 5 HA THR 5 2.334 0.103 -15.161 41 HB THR 5 HB THR 5 1.158 0.047 -17.423 42 HG1 THR 5 HG1 THR 5 -0.992 0.026 -16.269 43 HG21 THR 5 HG21 THR 5 0.889 -2.644 -17.041 44 HG22 THR 5 HG22 THR 5 1.925 -2.190 -15.688 45 HG23 THR 5 HG23 THR 5 2.417 -1.816 -17.339 46 H VAL 6 H VAL 6 2.703 2.072 -16.172 47 HA VAL 6 HA VAL 6 0.945 4.220 -15.325 48 HB VAL 6 HB VAL 6 3.621 4.105 -15.413 49 HG11 VAL 6 HG11 VAL 6 3.602 3.943 -17.894 50 HG12 VAL 6 HG12 VAL 6 2.902 5.561 -17.952 51 HG13 VAL 6 HG13 VAL 6 4.515 5.321 -17.280 52 HG21 VAL 6 HG21 VAL 6 1.626 6.154 -15.159 53 HG22 VAL 6 HG22 VAL 6 3.184 6.006 -14.346 54 HG23 VAL 6 HG23 VAL 6 3.079 6.810 -15.913 55 H LYS 7 H LYS 7 -0.106 5.659 -16.669 56 HA LYS 7 HA LYS 7 -0.548 4.698 -19.402 57 HB2 LYS 7 HB2 LYS 7 -2.473 5.078 -17.789 58 HB3 LYS 7 HB3 LYS 7 -2.136 6.798 -17.928 59 HG2 LYS 7 HG2 LYS 7 -3.838 6.465 -19.458 60 HG3 LYS 7 HG3 LYS 7 -2.388 6.423 -20.462 61 HD2 LYS 7 HD2 LYS 7 -3.799 4.615 -21.137 62 HD3 LYS 7 HD3 LYS 7 -2.424 3.930 -20.268 63 HE2 LYS 7 HE2 LYS 7 -3.697 3.272 -18.496 64 HE3 LYS 7 HE3 LYS 7 -4.847 4.593 -18.692 65 HZ1 LYS 7 HZ1 LYS 7 -5.829 2.445 -19.231 66 HZ2 LYS 7 HZ2 LYS 7 -4.672 2.198 -20.440 67 HZ3 LYS 7 HZ3 LYS 7 -5.796 3.454 -20.589 68 H TRP 8 H TRP 8 0.641 7.426 -17.586 69 HA TRP 8 HA TRP 8 2.079 8.478 -19.762 70 HB2 TRP 8 HB2 TRP 8 0.869 10.390 -20.399 71 HB3 TRP 8 HB3 TRP 8 -0.346 9.116 -20.337 72 HD1 TRP 8 HD1 TRP 8 0.852 12.183 -18.338 73 HE1 TRP 8 HE1 TRP 8 -1.090 12.987 -16.852 74 HE3 TRP 8 HE3 TRP 8 -2.482 8.418 -19.254 75 HZ2 TRP 8 HZ2 TRP 8 -3.691 12.137 -16.160 76 HZ3 TRP 8 HZ3 TRP 8 -4.675 8.488 -18.140 77 HH2 TRP 8 HH2 TRP 8 -5.265 10.309 -16.625 78 H PHE 9 H PHE 9 3.640 9.839 -19.051 79 HA PHE 9 HA PHE 9 3.322 11.093 -16.421 80 HB2 PHE 9 HB2 PHE 9 4.497 9.080 -15.886 81 HB3 PHE 9 HB3 PHE 9 5.587 9.279 -17.253 82 HD1 PHE 9 HD1 PHE 9 4.681 10.593 -13.931 83 HD2 PHE 9 HD2 PHE 9 7.537 10.605 -17.087 84 HE1 PHE 9 HE1 PHE 9 6.278 11.773 -12.477 85 HE2 PHE 9 HE2 PHE 9 9.138 11.784 -15.638 86 HZ PHE 9 HZ PHE 9 8.510 12.369 -13.329 87 H ASN 10 H ASN 10 3.298 13.157 -17.162 88 HA ASN 10 HA ASN 10 4.925 14.143 -19.252 89 HB2 ASN 10 HB2 ASN 10 2.743 15.113 -18.145 90 HB3 ASN 10 HB3 ASN 10 3.888 15.947 -17.099 91 HD21 ASN 10 HD21 ASN 10 2.007 16.910 -19.183 92 HD22 ASN 10 HD22 ASN 10 2.975 17.849 -20.262 93 H ALA 11 H ALA 11 7.052 14.384 -19.215 94 HA ALA 11 HA ALA 11 8.468 14.614 -16.689 95 HB1 ALA 11 HB1 ALA 11 9.312 14.146 -19.525 96 HB2 ALA 11 HB2 ALA 11 10.490 14.579 -18.285 97 HB3 ALA 11 HB3 ALA 11 9.528 13.112 -18.112 98 H GLU 12 H GLU 12 7.481 16.619 -19.334 99 HA GLU 12 HA GLU 12 9.360 18.717 -18.951 100 HB2 GLU 12 HB2 GLU 12 8.144 18.457 -21.054 101 HB3 GLU 12 HB3 GLU 12 6.620 18.754 -20.229 102 HG2 GLU 12 HG2 GLU 12 7.316 21.021 -19.713 103 HG3 GLU 12 HG3 GLU 12 8.876 20.731 -20.480 104 H LYS 13 H LYS 13 6.102 18.094 -17.737 105 HA LYS 13 HA LYS 13 6.068 20.581 -16.243 106 HB2 LYS 13 HB2 LYS 13 4.108 18.349 -16.672 107 HB3 LYS 13 HB3 LYS 13 3.856 19.516 -15.380 108 HG2 LYS 13 HG2 LYS 13 4.140 21.291 -17.225 109 HG3 LYS 13 HG3 LYS 13 3.853 19.952 -18.339 110 HD2 LYS 13 HD2 LYS 13 1.682 19.627 -17.592 111 HD3 LYS 13 HD3 LYS 13 1.989 20.423 -16.046 112 HE2 LYS 13 HE2 LYS 13 0.571 21.746 -17.609 113 HE3 LYS 13 HE3 LYS 13 2.039 22.575 -17.093 114 HZ1 LYS 13 HZ1 LYS 13 2.888 22.547 -19.160 115 HZ2 LYS 13 HZ2 LYS 13 1.270 22.398 -19.628 116 HZ3 LYS 13 HZ3 LYS 13 2.253 21.025 -19.538 117 H GLY 14 H GLY 14 6.367 17.117 -15.632 118 HA2 GLY 14 HA2 GLY 14 7.712 16.283 -13.844 119 HA3 GLY 14 HA3 GLY 14 7.392 17.765 -12.955 120 H TYR 15 H TYR 15 4.954 15.824 -14.586 121 HA TYR 15 HA TYR 15 4.048 14.701 -12.055 122 HB2 TYR 15 HB2 TYR 15 1.884 15.639 -12.107 123 HB3 TYR 15 HB3 TYR 15 2.966 16.991 -12.423 124 HD1 TYR 15 HD2 TYR 15 3.496 17.242 -15.081 125 HD2 TYR 15 HD1 TYR 15 -0.027 15.569 -13.382 126 HE1 TYR 15 HE2 TYR 15 2.265 17.748 -17.149 127 HE2 TYR 15 HE1 TYR 15 -1.268 16.069 -15.446 128 HH TYR 15 HH TYR 15 -1.201 17.313 -17.378 129 H GLY 16 H GLY 16 2.097 13.245 -12.435 130 HA2 GLY 16 HA2 GLY 16 1.539 12.280 -15.045 131 HA3 GLY 16 HA3 GLY 16 2.735 11.256 -14.265 132 H PHE 17 H PHE 17 0.584 9.944 -14.893 133 HA PHE 17 HA PHE 17 -0.764 9.528 -12.331 134 HB2 PHE 17 HB2 PHE 17 -2.048 10.333 -14.877 135 HB3 PHE 17 HB3 PHE 17 -2.844 9.043 -13.982 136 HD1 PHE 17 HD2 PHE 17 -1.506 12.487 -13.596 137 HD2 PHE 17 HD1 PHE 17 -4.258 9.548 -12.216 138 HE1 PHE 17 HE2 PHE 17 -2.551 14.160 -12.125 139 HE2 PHE 17 HE1 PHE 17 -5.307 11.217 -10.744 140 HZ PHE 17 HZ PHE 17 -4.453 13.526 -10.696 141 H ILE 18 H ILE 18 -0.743 7.453 -11.775 142 HA ILE 18 HA ILE 18 -0.055 5.468 -13.819 143 HB ILE 18 HB ILE 18 -0.002 5.193 -10.812 144 HG12 ILE 18 HG12 ILE 18 2.422 5.325 -12.576 145 HG13 ILE 18 HG13 ILE 18 1.648 6.810 -12.033 146 HG21 ILE 18 HG21 ILE 18 0.894 3.378 -13.038 147 HG22 ILE 18 HG22 ILE 18 1.416 3.188 -11.365 148 HG23 ILE 18 HG23 ILE 18 -0.292 3.045 -11.777 149 HD11 ILE 18 HD11 ILE 18 1.869 5.781 -9.677 150 HD12 ILE 18 HD12 ILE 18 3.060 4.723 -10.435 151 HD13 ILE 18 HD13 ILE 18 3.293 6.471 -10.455 152 H GLN 19 H GLN 19 -1.163 3.464 -13.940 153 HA GLN 19 HA GLN 19 -3.910 3.567 -12.880 154 HB2 GLN 19 HB2 GLN 19 -3.076 2.089 -15.369 155 HB3 GLN 19 HB3 GLN 19 -4.703 2.502 -14.845 156 HG2 GLN 19 HG2 GLN 19 -2.597 4.299 -15.989 157 HG3 GLN 19 HG3 GLN 19 -4.220 3.973 -16.597 158 HE21 GLN 19 HE21 GLN 19 -2.444 6.294 -15.289 159 HE22 GLN 19 HE22 GLN 19 -3.639 7.158 -14.389 160 H GLN 20 H GLN 20 -4.490 1.987 -11.545 161 HA GLN 20 HA GLN 20 -2.934 -0.514 -11.576 162 HB2 GLN 20 HB2 GLN 20 -2.719 1.206 -9.573 163 HB3 GLN 20 HB3 GLN 20 -4.212 0.436 -9.053 164 HG2 GLN 20 HG2 GLN 20 -2.646 -1.716 -9.644 165 HG3 GLN 20 HG3 GLN 20 -1.469 -0.561 -9.021 166 HE21 GLN 20 HE21 GLN 20 -1.821 -2.804 -7.628 167 HE22 GLN 20 HE22 GLN 20 -2.697 -2.504 -6.169 168 H GLU 21 H GLU 21 -4.071 -2.422 -10.876 169 HA GLU 21 HA GLU 21 -6.843 -2.385 -11.741 170 HB2 GLU 21 HB2 GLU 21 -6.692 -4.804 -11.737 171 HB3 GLU 21 HB3 GLU 21 -5.299 -4.127 -12.568 172 HG2 GLU 21 HG2 GLU 21 -3.882 -4.554 -10.701 173 HG3 GLU 21 HG3 GLU 21 -5.256 -5.008 -9.694 174 H GLU 22 H GLU 22 -5.256 -1.961 -8.868 175 HA GLU 22 HA GLU 22 -7.468 -3.114 -7.302 176 HB2 GLU 22 HB2 GLU 22 -4.825 -2.256 -6.151 177 HB3 GLU 22 HB3 GLU 22 -6.014 -3.354 -5.464 178 HG2 GLU 22 HG2 GLU 22 -5.500 -4.924 -7.357 179 HG3 GLU 22 HG3 GLU 22 -4.151 -3.865 -7.764 180 H GLY 23 H GLY 23 -6.451 -0.271 -8.581 181 HA2 GLY 23 HA2 GLY 23 -8.253 1.426 -7.565 182 HA3 GLY 23 HA3 GLY 23 -7.039 1.424 -6.295 183 HA PRO 24 HA PRO 24 -5.067 3.335 -10.309 184 HB2 PRO 24 HB2 PRO 24 -6.861 4.262 -12.123 185 HB3 PRO 24 HB3 PRO 24 -6.192 2.627 -12.183 186 HG2 PRO 24 HG2 PRO 24 -8.828 3.556 -11.111 187 HG3 PRO 24 HG3 PRO 24 -8.463 2.132 -12.103 188 HD2 PRO 24 HD2 PRO 24 -8.834 1.986 -9.425 189 HD3 PRO 24 HD3 PRO 24 -7.726 0.906 -10.296 190 H ASP 25 H ASP 25 -5.799 5.668 -11.568 191 HA ASP 25 HA ASP 25 -5.983 7.909 -11.224 192 HB2 ASP 25 HB2 ASP 25 -8.203 6.720 -9.703 193 HB3 ASP 25 HB3 ASP 25 -7.741 8.335 -9.172 194 H VAL 26 H VAL 26 -3.790 7.908 -10.438 195 HA VAL 26 HA VAL 26 -3.648 8.679 -7.606 196 HB VAL 26 HB VAL 26 -2.657 6.296 -8.400 197 HG11 VAL 26 HG11 VAL 26 -1.077 7.600 -9.927 198 HG12 VAL 26 HG12 VAL 26 -0.229 8.062 -8.449 199 HG13 VAL 26 HG13 VAL 26 -0.367 6.360 -8.893 200 HG21 VAL 26 HG21 VAL 26 -2.842 7.087 -6.102 201 HG22 VAL 26 HG22 VAL 26 -1.256 6.370 -6.390 202 HG23 VAL 26 HG23 VAL 26 -1.434 8.124 -6.333 203 H PHE 27 H PHE 27 -2.206 10.311 -7.114 204 HA PHE 27 HA PHE 27 -1.254 11.841 -9.413 205 HB2 PHE 27 HB2 PHE 27 -2.596 12.664 -7.217 206 HB3 PHE 27 HB3 PHE 27 -0.942 12.934 -6.678 207 HD1 PHE 27 HD1 PHE 27 0.387 13.773 -9.140 208 HD2 PHE 27 HD2 PHE 27 -3.470 14.761 -7.635 209 HE1 PHE 27 HE1 PHE 27 0.447 15.894 -10.387 210 HE2 PHE 27 HE2 PHE 27 -3.416 16.883 -8.880 211 HZ PHE 27 HZ PHE 27 -1.456 17.452 -10.257 212 H VAL 28 H VAL 28 0.786 11.680 -10.037 213 HA VAL 28 HA VAL 28 2.849 11.134 -8.006 214 HB VAL 28 HB VAL 28 3.935 9.566 -9.310 215 HG11 VAL 28 HG11 VAL 28 2.429 7.901 -9.376 216 HG12 VAL 28 HG12 VAL 28 1.314 9.117 -8.750 217 HG13 VAL 28 HG13 VAL 28 1.365 8.772 -10.479 218 HG21 VAL 28 HG21 VAL 28 4.192 10.747 -11.346 219 HG22 VAL 28 HG22 VAL 28 3.387 9.232 -11.753 220 HG23 VAL 28 HG23 VAL 28 2.457 10.727 -11.660 221 H HIS 29 H HIS 29 4.728 12.276 -8.165 222 HA HIS 29 HA HIS 29 4.903 14.229 -10.367 223 HB2 HIS 29 HB2 HIS 29 5.941 14.656 -7.563 224 HB3 HIS 29 HB3 HIS 29 5.811 15.849 -8.852 225 HD1 HIS 29 HD1 HIS 29 4.380 15.602 -5.857 226 HD2 HIS 29 HD2 HIS 29 2.662 15.395 -9.634 227 HE1 HIS 29 HE1 HIS 29 1.962 16.207 -5.529 228 H PHE 30 H PHE 30 7.070 14.914 -10.948 229 HA PHE 30 HA PHE 30 8.813 12.798 -11.417 230 HB2 PHE 30 HB2 PHE 30 10.286 14.372 -12.360 231 HB3 PHE 30 HB3 PHE 30 8.692 15.087 -12.576 232 HD1 PHE 30 HD2 PHE 30 7.960 16.551 -10.413 233 HD2 PHE 30 HD1 PHE 30 11.942 15.806 -11.718 234 HE1 PHE 30 HE2 PHE 30 8.716 18.586 -9.256 235 HE2 PHE 30 HE1 PHE 30 12.705 17.840 -10.562 236 HZ PHE 30 HZ PHE 30 11.091 19.234 -9.330 237 H THR 31 H THR 31 8.468 14.822 -8.647 238 HA THR 31 HA THR 31 11.057 14.027 -7.556 239 HB THR 31 HB THR 31 10.152 15.442 -5.552 240 HG1 THR 31 HG1 THR 31 8.737 17.146 -6.649 241 HG21 THR 31 HG21 THR 31 10.650 17.563 -7.137 242 HG22 THR 31 HG22 THR 31 11.287 16.269 -8.152 243 HG23 THR 31 HG23 THR 31 11.911 16.496 -6.519 244 H ALA 32 H ALA 32 8.621 12.235 -7.954 245 HA ALA 32 HA ALA 32 8.476 11.245 -5.180 246 HB1 ALA 32 HB1 ALA 32 6.273 11.537 -5.350 247 HB2 ALA 32 HB2 ALA 32 6.364 11.816 -7.089 248 HB3 ALA 32 HB3 ALA 32 6.282 10.169 -6.464 249 H ILE 33 H ILE 33 9.595 10.638 -8.261 250 HA ILE 33 HA ILE 33 9.285 7.754 -8.175 251 HB ILE 33 HB ILE 33 10.733 9.539 -10.132 252 HG12 ILE 33 HG12 ILE 33 8.755 8.342 -11.530 253 HG13 ILE 33 HG13 ILE 33 8.000 8.409 -9.941 254 HG21 ILE 33 HG21 ILE 33 10.317 7.099 -11.353 255 HG22 ILE 33 HG22 ILE 33 11.850 7.704 -10.729 256 HG23 ILE 33 HG23 ILE 33 10.838 6.666 -9.725 257 HD11 ILE 33 HD11 ILE 33 8.876 10.920 -10.092 258 HD12 ILE 33 HD12 ILE 33 8.684 10.583 -11.813 259 HD13 ILE 33 HD13 ILE 33 7.311 10.408 -10.721 260 H GLU 34 H GLU 34 10.764 6.330 -7.485 261 HA GLU 34 HA GLU 34 13.409 7.376 -6.710 262 HB2 GLU 34 HB2 GLU 34 12.012 5.022 -5.442 263 HB3 GLU 34 HB3 GLU 34 13.450 5.855 -4.868 264 HG2 GLU 34 HG2 GLU 34 11.415 7.790 -5.066 265 HG3 GLU 34 HG3 GLU 34 10.709 6.377 -4.283 266 H ALA 35 H ALA 35 14.322 6.851 -8.732 267 HA ALA 35 HA ALA 35 14.767 3.965 -9.111 268 HB1 ALA 35 HB1 ALA 35 15.019 5.377 -11.595 269 HB2 ALA 35 HB2 ALA 35 13.966 4.023 -11.180 270 HB3 ALA 35 HB3 ALA 35 13.432 5.678 -10.886 271 H ASP 36 H ASP 36 16.694 3.725 -10.781 272 HA ASP 36 HA ASP 36 18.895 5.305 -9.655 273 HB2 ASP 36 HB2 ASP 36 18.756 2.680 -9.678 274 HB3 ASP 36 HB3 ASP 36 19.324 2.864 -11.335 275 H GLY 37 H GLY 37 18.762 7.147 -10.943 276 HA2 GLY 37 HA2 GLY 37 20.251 7.768 -12.936 277 HA3 GLY 37 HA3 GLY 37 19.145 6.742 -13.837 278 H PHE 38 H PHE 38 17.623 7.798 -14.901 279 HA PHE 38 HA PHE 38 17.042 10.558 -14.233 280 HB2 PHE 38 HB2 PHE 38 16.614 8.785 -16.564 281 HB3 PHE 38 HB3 PHE 38 15.393 10.027 -16.312 282 HD1 PHE 38 HD2 PHE 38 16.344 12.437 -15.874 283 HD2 PHE 38 HD1 PHE 38 18.481 9.299 -17.798 284 HE1 PHE 38 HE2 PHE 38 17.812 14.097 -16.943 285 HE2 PHE 38 HE1 PHE 38 19.953 10.954 -18.869 286 HZ PHE 38 HZ PHE 38 19.619 13.356 -18.443 287 H ARG 39 H ARG 39 15.614 10.941 -12.673 288 HA ARG 39 HA ARG 39 13.686 9.138 -11.737 289 HB2 ARG 39 HB2 ARG 39 12.668 11.210 -10.666 290 HB3 ARG 39 HB3 ARG 39 14.347 10.866 -10.269 291 HG2 ARG 39 HG2 ARG 39 15.127 12.699 -11.353 292 HG3 ARG 39 HG3 ARG 39 13.840 12.669 -12.561 293 HD2 ARG 39 HD2 ARG 39 12.420 13.895 -11.278 294 HD3 ARG 39 HD3 ARG 39 13.044 13.234 -9.767 295 HE ARG 39 HE ARG 39 13.864 15.639 -11.039 296 HH11 ARG 39 HH11 ARG 39 15.027 12.972 -9.128 297 HH12 ARG 39 HH12 ARG 39 16.330 13.874 -8.426 298 HH21 ARG 39 HH21 ARG 39 15.576 16.837 -10.123 299 HH22 ARG 39 HH22 ARG 39 16.640 16.072 -8.992 300 H THR 40 H THR 40 12.348 8.316 -13.291 301 HA THR 40 HA THR 40 10.020 9.725 -13.954 302 HB THR 40 HB THR 40 11.297 11.010 -15.523 303 HG1 THR 40 HG1 THR 40 10.039 10.614 -17.259 304 HG21 THR 40 HG21 THR 40 12.357 8.347 -16.454 305 HG22 THR 40 HG22 THR 40 13.268 9.715 -15.814 306 HG23 THR 40 HG23 THR 40 12.508 9.826 -17.401 307 H LEU 41 H LEU 41 8.590 8.492 -15.414 308 HA LEU 41 HA LEU 41 9.236 5.624 -15.299 309 HB2 LEU 41 HB2 LEU 41 6.486 6.781 -15.620 310 HB3 LEU 41 HB3 LEU 41 6.940 5.160 -15.097 311 HG LEU 41 HG LEU 41 7.432 7.655 -13.477 312 HD11 LEU 41 HD11 LEU 41 5.542 6.758 -12.079 313 HD12 LEU 41 HD12 LEU 41 5.151 5.695 -13.431 314 HD13 LEU 41 HD13 LEU 41 5.079 7.445 -13.636 315 HD21 LEU 41 HD21 LEU 41 8.540 6.349 -12.063 316 HD22 LEU 41 HD22 LEU 41 8.488 5.077 -13.284 317 HD23 LEU 41 HD23 LEU 41 7.234 5.164 -12.045 318 H ASN 42 H ASN 42 7.651 4.445 -17.005 319 HA ASN 42 HA ASN 42 8.035 5.789 -19.597 320 HB2 ASN 42 HB2 ASN 42 8.555 2.881 -18.942 321 HB3 ASN 42 HB3 ASN 42 8.572 3.558 -20.568 322 HD21 ASN 42 HD21 ASN 42 10.400 2.828 -17.881 323 HD22 ASN 42 HD22 ASN 42 11.816 3.738 -18.266 324 H GLU 43 H GLU 43 6.262 5.911 -20.810 325 HA GLU 43 HA GLU 43 3.749 5.092 -19.927 326 HB2 GLU 43 HB2 GLU 43 3.984 6.882 -21.534 327 HB3 GLU 43 HB3 GLU 43 4.696 5.787 -22.711 328 HG2 GLU 43 HG2 GLU 43 2.537 4.527 -22.718 329 HG3 GLU 43 HG3 GLU 43 1.858 5.813 -21.722 330 H GLY 44 H GLY 44 2.833 3.156 -19.837 331 HA2 GLY 44 HA2 GLY 44 2.078 1.113 -20.721 332 HA3 GLY 44 HA3 GLY 44 3.311 1.222 -21.968 333 H GLU 45 H GLU 45 4.647 1.911 -18.981 334 HA GLU 45 HA GLU 45 5.711 -0.823 -18.792 335 HB2 GLU 45 HB2 GLU 45 7.341 1.009 -19.219 336 HB3 GLU 45 HB3 GLU 45 6.884 1.733 -17.684 337 HG2 GLU 45 HG2 GLU 45 8.019 0.206 -16.461 338 HG3 GLU 45 HG3 GLU 45 7.743 -1.093 -17.620 339 H HIS 46 H HIS 46 6.192 -1.645 -16.626 340 HA HIS 46 HA HIS 46 3.994 -1.069 -14.818 341 HB2 HIS 46 HB2 HIS 46 6.146 -3.122 -14.354 342 HB3 HIS 46 HB3 HIS 46 4.487 -3.119 -13.763 343 HD1 HIS 46 HD1 HIS 46 2.743 -4.229 -15.204 344 HD2 HIS 46 HD2 HIS 46 6.400 -3.815 -17.131 345 HE1 HIS 46 HE1 HIS 46 2.537 -5.558 -17.329 346 H VAL 47 H VAL 47 4.179 -0.284 -12.755 347 HA VAL 47 HA VAL 47 6.751 0.179 -11.541 348 HB VAL 47 HB VAL 47 6.215 2.683 -11.269 349 HG11 VAL 47 HG11 VAL 47 7.811 3.096 -12.805 350 HG12 VAL 47 HG12 VAL 47 7.885 1.336 -12.911 351 HG13 VAL 47 HG13 VAL 47 6.944 2.254 -14.088 352 HG21 VAL 47 HG21 VAL 47 4.730 3.721 -12.656 353 HG22 VAL 47 HG22 VAL 47 4.886 2.502 -13.921 354 HG23 VAL 47 HG23 VAL 47 3.919 2.164 -12.486 355 H GLU 48 H GLU 48 6.609 0.407 -9.354 356 HA GLU 48 HA GLU 48 3.926 0.168 -8.210 357 HB2 GLU 48 HB2 GLU 48 5.290 -1.574 -7.431 358 HB3 GLU 48 HB3 GLU 48 6.677 -0.515 -7.218 359 HG2 GLU 48 HG2 GLU 48 5.634 0.534 -5.311 360 HG3 GLU 48 HG3 GLU 48 4.171 -0.419 -5.554 361 H PHE 49 H PHE 49 2.992 1.799 -7.176 362 HA PHE 49 HA PHE 49 4.690 4.015 -6.233 363 HB2 PHE 49 HB2 PHE 49 2.748 5.513 -6.708 364 HB3 PHE 49 HB3 PHE 49 3.436 4.772 -8.149 365 HD1 PHE 49 HD1 PHE 49 2.265 2.808 -9.181 366 HD2 PHE 49 HD2 PHE 49 0.499 5.191 -6.128 367 HE1 PHE 49 HE1 PHE 49 0.044 1.947 -9.797 368 HE2 PHE 49 HE2 PHE 49 -1.725 4.333 -6.740 369 HZ PHE 49 HZ PHE 49 -1.954 2.709 -8.577 370 H GLU 50 H GLU 50 4.198 4.953 -4.264 371 HA GLU 50 HA GLU 50 2.387 3.377 -2.572 372 HB2 GLU 50 HB2 GLU 50 4.848 4.994 -2.024 373 HB3 GLU 50 HB3 GLU 50 3.684 4.726 -0.735 374 HG2 GLU 50 HG2 GLU 50 5.646 3.118 -0.909 375 HG3 GLU 50 HG3 GLU 50 4.036 2.424 -0.726 376 H VAL 51 H VAL 51 0.410 4.296 -2.791 377 HA VAL 51 HA VAL 51 -0.104 7.046 -3.079 378 HB VAL 51 HB VAL 51 -2.431 6.519 -2.548 379 HG11 VAL 51 HG11 VAL 51 -2.663 5.701 -4.602 380 HG12 VAL 51 HG12 VAL 51 -0.915 5.457 -4.641 381 HG13 VAL 51 HG13 VAL 51 -1.979 4.149 -4.119 382 HG21 VAL 51 HG21 VAL 51 -2.959 4.073 -2.063 383 HG22 VAL 51 HG22 VAL 51 -1.262 3.913 -1.613 384 HG23 VAL 51 HG23 VAL 51 -2.306 5.030 -0.734 385 H GLU 52 H GLU 52 0.055 8.642 -1.659 386 HA GLU 52 HA GLU 52 0.127 7.985 1.202 387 HB2 GLU 52 HB2 GLU 52 1.708 9.684 -0.432 388 HB3 GLU 52 HB3 GLU 52 0.823 10.712 0.686 389 HG2 GLU 52 HG2 GLU 52 1.765 8.600 2.238 390 HG3 GLU 52 HG3 GLU 52 3.096 9.014 1.159 391 HA PRO 53 HA PRO 53 -3.741 9.928 1.954 392 HB2 PRO 53 HB2 PRO 53 -3.369 10.759 4.512 393 HB3 PRO 53 HB3 PRO 53 -3.607 9.062 4.078 394 HG2 PRO 53 HG2 PRO 53 -1.063 10.531 4.657 395 HG3 PRO 53 HG3 PRO 53 -1.568 8.915 5.187 396 HD2 PRO 53 HD2 PRO 53 0.138 9.304 3.121 397 HD3 PRO 53 HD3 PRO 53 -0.998 7.941 3.177 398 H GLY 54 H GLY 54 -2.057 11.996 4.169 399 HA2 GLY 54 HA2 GLY 54 -2.991 14.332 2.737 400 HA3 GLY 54 HA3 GLY 54 -2.197 14.314 4.305 401 H ARG 55 H ARG 55 -1.337 13.373 0.971 402 HA ARG 55 HA ARG 55 1.021 15.108 1.179 403 HB2 ARG 55 HB2 ARG 55 1.264 12.423 1.461 404 HB3 ARG 55 HB3 ARG 55 1.414 12.572 -0.285 405 HG2 ARG 55 HG2 ARG 55 3.118 13.920 1.797 406 HG3 ARG 55 HG3 ARG 55 3.596 12.618 0.706 407 HD2 ARG 55 HD2 ARG 55 2.736 14.432 -1.083 408 HD3 ARG 55 HD3 ARG 55 3.286 15.510 0.198 409 HE ARG 55 HE ARG 55 5.223 13.510 -0.397 410 HH11 ARG 55 HH11 ARG 55 3.903 16.535 -1.507 411 HH12 ARG 55 HH12 ARG 55 5.352 17.015 -2.328 412 HH21 ARG 55 HH21 ARG 55 7.135 14.131 -1.474 413 HH22 ARG 55 HH22 ARG 55 7.189 15.647 -2.310 414 H GLY 56 H GLY 56 -1.156 13.254 -0.900 415 HA2 GLY 56 HA2 GLY 56 -0.237 14.596 -3.293 416 HA3 GLY 56 HA3 GLY 56 -1.544 13.426 -3.187 417 H GLY 57 H GLY 57 -1.271 16.163 -4.456 418 HA2 GLY 57 HA2 GLY 57 -2.719 18.126 -3.187 419 HA3 GLY 57 HA3 GLY 57 -2.745 17.865 -4.925 420 H LYS 58 H LYS 58 -3.964 15.289 -4.877 421 HA LYS 58 HA LYS 58 -6.702 16.106 -4.217 422 HB2 LYS 58 HB2 LYS 58 -5.549 14.109 -6.147 423 HB3 LYS 58 HB3 LYS 58 -7.244 14.044 -5.680 424 HG2 LYS 58 HG2 LYS 58 -6.264 16.677 -6.559 425 HG3 LYS 58 HG3 LYS 58 -6.317 15.418 -7.796 426 HD2 LYS 58 HD2 LYS 58 -8.463 16.047 -8.026 427 HD3 LYS 58 HD3 LYS 58 -8.724 15.073 -6.577 428 HE2 LYS 58 HE2 LYS 58 -9.004 16.888 -5.245 429 HE3 LYS 58 HE3 LYS 58 -7.857 17.868 -6.157 430 HZ1 LYS 58 HZ1 LYS 58 -10.063 17.329 -7.796 431 HZ2 LYS 58 HZ2 LYS 58 -9.546 18.822 -7.192 432 HZ3 LYS 58 HZ3 LYS 58 -10.647 17.889 -6.310 433 H GLY 59 H GLY 59 -4.212 13.996 -3.219 434 HA2 GLY 59 HA2 GLY 59 -4.997 13.155 -0.869 435 HA3 GLY 59 HA3 GLY 59 -6.079 12.189 -1.861 436 HA PRO 60 HA PRO 60 -2.957 9.092 -1.912 437 HB2 PRO 60 HB2 PRO 60 -3.844 7.650 -4.034 438 HB3 PRO 60 HB3 PRO 60 -4.638 7.623 -2.455 439 HG2 PRO 60 HG2 PRO 60 -5.366 9.164 -4.917 440 HG3 PRO 60 HG3 PRO 60 -6.421 8.284 -3.795 441 HD2 PRO 60 HD2 PRO 60 -6.124 10.974 -3.708 442 HD3 PRO 60 HD3 PRO 60 -6.425 9.999 -2.256 443 H GLN 61 H GLN 61 -0.970 9.738 -2.515 444 HA GLN 61 HA GLN 61 -0.503 10.253 -5.378 445 HB2 GLN 61 HB2 GLN 61 1.317 11.749 -4.737 446 HB3 GLN 61 HB3 GLN 61 -0.203 12.278 -4.028 447 HG2 GLN 61 HG2 GLN 61 0.535 12.006 -1.939 448 HG3 GLN 61 HG3 GLN 61 1.344 10.486 -2.317 449 HE21 GLN 61 HE21 GLN 61 1.802 13.692 -3.725 450 HE22 GLN 61 HE22 GLN 61 3.462 13.849 -3.272 451 H ALA 62 H ALA 62 1.784 9.810 -6.058 452 HA ALA 62 HA ALA 62 2.510 7.156 -5.176 453 HB1 ALA 62 HB1 ALA 62 4.326 7.511 -6.986 454 HB2 ALA 62 HB2 ALA 62 2.640 7.348 -7.481 455 HB3 ALA 62 HB3 ALA 62 3.388 8.944 -7.408 456 H LYS 63 H LYS 63 2.938 8.446 -2.989 457 HA LYS 63 HA LYS 63 5.114 9.985 -2.470 458 HB2 LYS 63 HB2 LYS 63 3.563 9.265 -0.731 459 HB3 LYS 63 HB3 LYS 63 4.159 7.615 -0.853 460 HG2 LYS 63 HG2 LYS 63 6.454 8.994 -0.353 461 HG3 LYS 63 HG3 LYS 63 5.265 9.919 0.567 462 HD2 LYS 63 HD2 LYS 63 6.217 8.186 1.965 463 HD3 LYS 63 HD3 LYS 63 4.518 7.828 1.646 464 HE2 LYS 63 HE2 LYS 63 5.050 6.119 0.130 465 HE3 LYS 63 HE3 LYS 63 6.716 6.670 -0.039 466 HZ1 LYS 63 HZ1 LYS 63 6.140 4.618 1.436 467 HZ2 LYS 63 HZ2 LYS 63 5.779 5.792 2.599 468 HZ3 LYS 63 HZ3 LYS 63 7.330 5.715 1.928 469 H LYS 64 H LYS 64 5.101 6.515 -3.096 470 HA LYS 64 HA LYS 64 8.014 6.644 -3.458 471 HB2 LYS 64 HB2 LYS 64 6.679 5.233 -1.399 472 HB3 LYS 64 HB3 LYS 64 7.256 4.031 -2.546 473 HG2 LYS 64 HG2 LYS 64 9.087 6.182 -1.569 474 HG3 LYS 64 HG3 LYS 64 8.775 4.750 -0.584 475 HD2 LYS 64 HD2 LYS 64 9.566 4.466 -3.458 476 HD3 LYS 64 HD3 LYS 64 10.791 4.760 -2.221 477 HE2 LYS 64 HE2 LYS 64 8.767 2.548 -1.996 478 HE3 LYS 64 HE3 LYS 64 10.310 2.333 -2.820 479 HZ1 LYS 64 HZ1 LYS 64 11.044 3.439 -0.473 480 HZ2 LYS 64 HZ2 LYS 64 11.055 1.781 -0.804 481 HZ3 LYS 64 HZ3 LYS 64 9.738 2.474 -0.001 482 H VAL 65 H VAL 65 8.176 6.437 -5.610 483 HA VAL 65 HA VAL 65 6.585 4.354 -6.945 484 HB VAL 65 HB VAL 65 7.412 7.025 -7.728 485 HG11 VAL 65 HG11 VAL 65 7.875 6.446 -10.101 486 HG12 VAL 65 HG12 VAL 65 9.146 5.939 -8.987 487 HG13 VAL 65 HG13 VAL 65 8.003 4.754 -9.620 488 HG21 VAL 65 HG21 VAL 65 5.108 5.836 -7.698 489 HG22 VAL 65 HG22 VAL 65 5.480 6.958 -9.006 490 HG23 VAL 65 HG23 VAL 65 5.597 5.219 -9.276 491 H ARG 66 H ARG 66 7.550 2.769 -8.158 492 HA ARG 66 HA ARG 66 10.488 2.724 -8.238 493 HB2 ARG 66 HB2 ARG 66 8.627 0.634 -7.163 494 HB3 ARG 66 HB3 ARG 66 10.158 0.154 -7.884 495 HG2 ARG 66 HG2 ARG 66 10.461 2.313 -5.964 496 HG3 ARG 66 HG3 ARG 66 9.743 0.863 -5.259 497 HD2 ARG 66 HD2 ARG 66 12.121 0.710 -5.031 498 HD3 ARG 66 HD3 ARG 66 11.606 -0.460 -6.244 499 HE ARG 66 HE ARG 66 12.429 2.081 -7.323 500 HH11 ARG 66 HH11 ARG 66 13.449 -1.095 -6.328 501 HH12 ARG 66 HH12 ARG 66 14.869 -1.092 -7.321 502 HH21 ARG 66 HH21 ARG 66 14.295 2.097 -8.634 503 HH22 ARG 66 HH22 ARG 66 15.350 0.725 -8.631 504 H ARG 67 H ARG 67 11.392 1.848 -10.058 505 HA ARG 67 HA ARG 67 9.687 1.631 -12.358 506 HB2 ARG 67 HB2 ARG 67 11.805 2.689 -12.672 507 HB3 ARG 67 HB3 ARG 67 12.662 1.325 -11.968 508 HG2 ARG 67 HG2 ARG 67 12.333 -0.010 -13.854 509 HG3 ARG 67 HG3 ARG 67 11.042 1.025 -14.469 510 HD2 ARG 67 HD2 ARG 67 12.501 2.591 -15.289 511 HD3 ARG 67 HD3 ARG 67 13.752 2.198 -14.111 512 HE ARG 67 HE ARG 67 13.472 -0.016 -15.754 513 HH11 ARG 67 HH11 ARG 67 14.401 3.326 -16.059 514 HH12 ARG 67 HH12 ARG 67 15.470 3.042 -17.393 515 HH21 ARG 67 HH21 ARG 67 14.877 -0.402 -17.510 516 HH22 ARG 67 HH22 ARG 67 15.740 0.922 -18.218 517 H ILE 68 H ILE 68 9.010 -0.157 -13.399 518 HA ILE 68 HA ILE 68 10.135 -2.756 -12.648 519 HB ILE 68 HB ILE 68 7.155 -2.360 -12.821 520 HG12 ILE 68 HG12 ILE 68 8.193 -1.036 -10.936 521 HG13 ILE 68 HG13 ILE 68 7.026 -2.256 -10.437 522 HG21 ILE 68 HG21 ILE 68 7.199 -4.526 -11.542 523 HG22 ILE 68 HG22 ILE 68 7.796 -4.613 -13.199 524 HG23 ILE 68 HG23 ILE 68 8.934 -4.586 -11.852 525 HD11 ILE 68 HD11 ILE 68 9.790 -3.203 -10.520 526 HD12 ILE 68 HD12 ILE 68 9.488 -1.915 -9.353 527 HD13 ILE 68 HD13 ILE 68 8.550 -3.407 -9.282
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