NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
465322 | 2kq6 | 16590 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 1 1H ASN 1 -16.804 -4.348 -3.177 2 H2 ASN 1 2H ASN 1 -18.032 -5.362 -2.587 3 H3 ASN 1 3H ASN 1 -16.488 -5.992 -2.920 4 HA ASN 1 HA ASN 1 -15.871 -4.044 -1.205 5 HB2 ASN 1 HB3 ASN 1 -18.301 -3.588 -0.839 6 HB3 ASN 1 HB2 ASN 1 -18.535 -5.248 -0.306 7 HD21 ASN 1 HD21 ASN 1 -19.016 -4.849 1.922 8 HD22 ASN 1 HD22 ASN 1 -17.936 -4.089 2.987 9 H THR 2 H THR 2 -17.438 -7.256 -1.145 10 HA THR 2 HA THR 2 -15.887 -8.384 0.933 11 HB THR 2 HB THR 2 -17.147 -9.864 -1.430 12 HG1 THR 2 HG1 THR 2 -18.987 -9.400 -0.609 13 HG21 THR 2 HG21 THR 2 -16.634 -10.726 1.466 14 HG22 THR 2 HG22 THR 2 -15.733 -11.297 0.063 15 HG23 THR 2 HG23 THR 2 -17.437 -11.699 0.232 16 H VAL 3 H VAL 3 -15.454 -8.486 -2.612 17 HA VAL 3 HA VAL 3 -13.134 -10.093 -2.683 18 HB VAL 3 HB VAL 3 -12.832 -9.118 -4.985 19 HG11 VAL 3 HG11 VAL 3 -15.736 -9.826 -4.300 20 HG12 VAL 3 HG12 VAL 3 -14.449 -10.987 -4.641 21 HG13 VAL 3 HG13 VAL 3 -15.012 -9.900 -5.910 22 HG21 VAL 3 HG21 VAL 3 -15.162 -7.288 -4.179 23 HG22 VAL 3 HG22 VAL 3 -14.484 -7.414 -5.800 24 HG23 VAL 3 HG23 VAL 3 -13.508 -6.764 -4.493 25 H ASP 4 H ASP 4 -13.625 -6.758 -1.850 26 HA ASP 4 HA ASP 4 -12.242 -5.047 -1.222 27 HB2 ASP 4 HB3 ASP 4 -11.617 -6.784 0.477 28 HB3 ASP 4 HB2 ASP 4 -10.312 -7.321 -0.562 29 H ASP 5 H ASP 5 -11.929 -4.086 -3.283 30 HA ASP 5 HA ASP 5 -10.024 -5.028 -5.205 31 HB2 ASP 5 HB3 ASP 5 -11.995 -3.570 -5.735 32 HB3 ASP 5 HB2 ASP 5 -11.226 -2.231 -4.892 33 H ILE 6 H ILE 6 -8.064 -5.328 -4.094 34 HA ILE 6 HA ILE 6 -6.726 -3.365 -2.511 35 HB ILE 6 HB ILE 6 -6.208 -5.775 -2.386 36 HG12 ILE 6 HG13 ILE 6 -3.709 -4.276 -3.388 37 HG13 ILE 6 HG12 ILE 6 -4.411 -4.006 -1.800 38 HG21 ILE 6 HG21 ILE 6 -6.498 -6.353 -4.799 39 HG22 ILE 6 HG22 ILE 6 -4.952 -6.928 -4.182 40 HG23 ILE 6 HG23 ILE 6 -5.009 -5.489 -5.190 41 HD11 ILE 6 HD11 ILE 6 -3.375 -6.677 -2.805 42 HD12 ILE 6 HD12 ILE 6 -4.022 -6.348 -1.198 43 HD13 ILE 6 HD13 ILE 6 -2.523 -5.584 -1.718 44 H SER 7 H SER 7 -7.119 -3.759 -5.920 45 HA SER 7 HA SER 7 -4.870 -2.596 -7.024 46 HB2 SER 7 HB3 SER 7 -6.735 -3.552 -8.347 47 HB3 SER 7 HB2 SER 7 -7.758 -2.192 -7.894 48 HG SER 7 HG SER 7 -6.790 -1.031 -9.349 49 H GLU 8 H GLU 8 -7.313 -1.102 -5.074 50 HA GLU 8 HA GLU 8 -6.922 1.628 -5.869 51 HB2 GLU 8 HB3 GLU 8 -7.918 0.445 -3.225 52 HB3 GLU 8 HB2 GLU 8 -8.101 2.134 -3.712 53 HG2 GLU 8 HG3 GLU 8 -9.307 -0.253 -5.206 54 HG3 GLU 8 HG2 GLU 8 -10.194 0.799 -4.115 55 H SER 9 H SER 9 -5.548 -0.368 -3.229 56 HA SER 9 HA SER 9 -3.906 1.645 -2.072 57 HB2 SER 9 HB3 SER 9 -2.679 -0.249 -1.030 58 HB3 SER 9 HB2 SER 9 -4.419 -0.502 -0.924 59 HG SER 9 HG SER 9 -2.497 -1.805 -2.453 60 H LEU 10 H LEU 10 -3.296 -0.772 -4.603 61 HA LEU 10 HA LEU 10 -0.521 -0.202 -4.956 62 HB2 LEU 10 HB3 LEU 10 -2.441 -1.312 -7.064 63 HB3 LEU 10 HB2 LEU 10 -0.690 -1.524 -7.001 64 HG LEU 10 HG LEU 10 -2.711 -2.640 -4.992 65 HD11 LEU 10 HD11 LEU 10 -0.961 -4.086 -7.028 66 HD12 LEU 10 HD12 LEU 10 -2.703 -3.835 -7.171 67 HD13 LEU 10 HD13 LEU 10 -2.063 -4.853 -5.886 68 HD21 LEU 10 HD21 LEU 10 0.347 -2.734 -4.960 69 HD22 LEU 10 HD22 LEU 10 -0.614 -3.949 -4.126 70 HD23 LEU 10 HD23 LEU 10 -0.745 -2.268 -3.662 71 H ARG 11 H ARG 11 -3.443 1.149 -6.406 72 HA ARG 11 HA ARG 11 -2.266 2.635 -8.498 73 HB2 ARG 11 HB3 ARG 11 -4.721 2.228 -8.216 74 HB3 ARG 11 HB2 ARG 11 -4.740 3.326 -6.841 75 HG2 ARG 11 HG3 ARG 11 -4.008 5.210 -8.332 76 HG3 ARG 11 HG2 ARG 11 -3.976 4.105 -9.704 77 HD2 ARG 11 HD3 ARG 11 -6.422 3.710 -9.434 78 HD3 ARG 11 HD2 ARG 11 -6.444 4.815 -8.050 79 HE ARG 11 HE ARG 11 -5.294 6.190 -10.220 80 HH11 ARG 11 HH21 ARG 11 -8.366 4.818 -9.308 81 HH12 ARG 11 HH22 ARG 11 -9.287 5.936 -10.258 82 HH21 ARG 11 HH11 ARG 11 -6.506 7.629 -11.447 83 HH22 ARG 11 HH12 ARG 11 -8.234 7.522 -11.466 84 H GLN 12 H GLN 12 -2.901 3.481 -5.081 85 HA GLN 12 HA GLN 12 -2.021 6.171 -5.151 86 HB2 GLN 12 HB3 GLN 12 -1.933 4.106 -2.906 87 HB3 GLN 12 HB2 GLN 12 -1.657 5.818 -2.665 88 HG2 GLN 12 HG3 GLN 12 -4.242 4.634 -3.754 89 HG3 GLN 12 HG2 GLN 12 -4.006 5.149 -2.096 90 HE21 GLN 12 HE21 GLN 12 -5.414 6.196 -4.893 91 HE22 GLN 12 HE22 GLN 12 -5.253 7.873 -4.692 92 H GLY 13 H GLY 13 0.016 7.106 -4.529 93 HA2 GLY 13 HA3 GLY 13 2.399 6.266 -3.789 94 HA3 GLY 13 HA2 GLY 13 2.366 5.511 -5.377 95 H GLY 14 H GLY 14 0.637 8.461 -5.014 96 HA2 GLY 14 HA3 GLY 14 2.113 9.817 -7.045 97 HA3 GLY 14 HA2 GLY 14 0.881 10.520 -6.004 98 H GLY 15 H GLY 15 4.166 9.218 -5.582 99 HA2 GLY 15 HA3 GLY 15 6.056 10.001 -4.573 100 HA3 GLY 15 HA2 GLY 15 5.440 11.628 -4.848 101 H LYS 16 H LYS 16 3.698 12.342 -3.311 102 HA LYS 16 HA LYS 16 4.584 11.898 -0.559 103 HB2 LYS 16 HB3 LYS 16 2.395 13.681 -1.725 104 HB3 LYS 16 HB2 LYS 16 2.898 13.666 -0.030 105 HG2 LYS 16 HG3 LYS 16 5.194 14.355 -0.692 106 HG3 LYS 16 HG2 LYS 16 4.745 14.291 -2.396 107 HD2 LYS 16 HD3 LYS 16 4.692 16.626 -1.655 108 HD3 LYS 16 HD2 LYS 16 3.048 16.109 -2.008 109 HE2 LYS 16 HE3 LYS 16 2.491 15.998 0.364 110 HE3 LYS 16 HE2 LYS 16 4.190 16.062 0.843 111 HZ1 LYS 16 HZ1 LYS 16 3.281 18.259 -0.776 112 HZ2 LYS 16 HZ2 LYS 16 4.247 18.246 0.623 113 HZ3 LYS 16 HZ3 LYS 16 2.555 18.145 0.751 114 H LEU 17 H LEU 17 3.875 10.022 0.351 115 HA LEU 17 HA LEU 17 0.982 9.670 0.650 116 HB2 LEU 17 HB3 LEU 17 1.845 8.364 -1.455 117 HB3 LEU 17 HB2 LEU 17 2.656 7.311 -0.319 118 HG LEU 17 HG LEU 17 0.222 7.147 0.841 119 HD11 LEU 17 HD11 LEU 17 -1.661 7.342 -0.716 120 HD12 LEU 17 HD12 LEU 17 -0.572 7.880 -1.999 121 HD13 LEU 17 HD13 LEU 17 -0.834 8.882 -0.606 122 HD21 LEU 17 HD21 LEU 17 0.938 5.679 -1.741 123 HD22 LEU 17 HD22 LEU 17 -0.345 5.175 -0.648 124 HD23 LEU 17 HD23 LEU 17 1.319 5.189 -0.097 125 H ASN 18 H ASN 18 0.465 8.867 2.555 126 HA ASN 18 HA ASN 18 2.397 7.425 4.259 127 HB2 ASN 18 HB3 ASN 18 1.791 9.148 6.165 128 HB3 ASN 18 HB2 ASN 18 2.968 9.673 4.966 129 HD21 ASN 18 HD21 ASN 18 1.897 10.834 2.978 130 HD22 ASN 18 HD22 ASN 18 0.660 11.938 3.346 131 H PHE 19 H PHE 19 1.409 6.455 5.974 132 HA PHE 19 HA PHE 19 -0.651 4.899 5.781 133 HB2 PHE 19 HB3 PHE 19 -0.972 4.875 8.252 134 HB3 PHE 19 HB2 PHE 19 0.735 4.891 7.799 135 HD1 PHE 19 HD2 PHE 19 2.092 7.033 7.920 136 HD2 PHE 19 HD1 PHE 19 -1.996 6.875 9.348 137 HE1 PHE 19 HE2 PHE 19 2.409 9.193 9.115 138 HE2 PHE 19 HE1 PHE 19 -1.659 9.040 10.522 139 HZ PHE 19 HZ PHE 19 0.544 10.192 10.416 140 H ASP 20 H ASP 20 -1.068 8.295 6.552 141 HA ASP 20 HA ASP 20 -3.920 8.166 7.118 142 HB2 ASP 20 HB3 ASP 20 -2.265 9.927 7.937 143 HB3 ASP 20 HB2 ASP 20 -2.232 10.597 6.313 144 H GLU 21 H GLU 21 -2.024 9.258 4.338 145 HA GLU 21 HA GLU 21 -4.173 10.058 2.689 146 HB2 GLU 21 HB3 GLU 21 -1.491 8.909 1.826 147 HB3 GLU 21 HB2 GLU 21 -2.569 9.852 0.780 148 HG2 GLU 21 HG3 GLU 21 -1.339 10.930 3.377 149 HG3 GLU 21 HG2 GLU 21 -0.667 11.198 1.777 150 H LEU 22 H LEU 22 -2.610 6.974 2.858 151 HA LEU 22 HA LEU 22 -4.388 5.774 0.823 152 HB2 LEU 22 HB3 LEU 22 -3.216 3.664 1.346 153 HB3 LEU 22 HB2 LEU 22 -2.141 4.989 0.942 154 HG LEU 22 HG LEU 22 -2.180 5.260 3.737 155 HD11 LEU 22 HD11 LEU 22 -1.991 2.261 3.472 156 HD12 LEU 22 HD12 LEU 22 -3.545 3.017 3.753 157 HD13 LEU 22 HD13 LEU 22 -2.259 3.256 4.889 158 HD21 LEU 22 HD21 LEU 22 -0.129 5.312 2.422 159 HD22 LEU 22 HD22 LEU 22 -0.238 3.598 2.065 160 HD23 LEU 22 HD23 LEU 22 0.098 4.125 3.688 161 H ARG 23 H ARG 23 -4.022 5.444 4.367 162 HA ARG 23 HA ARG 23 -6.047 3.472 4.725 163 HB2 ARG 23 HB3 ARG 23 -4.478 4.022 6.507 164 HB3 ARG 23 HB2 ARG 23 -5.161 5.642 6.643 165 HG2 ARG 23 HG3 ARG 23 -7.284 3.561 7.010 166 HG3 ARG 23 HG2 ARG 23 -5.985 3.374 8.184 167 HD2 ARG 23 HD3 ARG 23 -7.478 5.972 7.655 168 HD3 ARG 23 HD2 ARG 23 -7.833 4.883 8.997 169 HE ARG 23 HE ARG 23 -5.654 6.770 8.806 170 HH11 ARG 23 HH21 ARG 23 -6.548 3.683 10.148 171 HH12 ARG 23 HH22 ARG 23 -5.401 3.772 11.443 172 HH21 ARG 23 HH11 ARG 23 -4.178 6.872 10.508 173 HH22 ARG 23 HH12 ARG 23 -4.063 5.572 11.646 174 H GLN 24 H GLN 24 -6.382 7.005 5.012 175 HA GLN 24 HA GLN 24 -9.103 7.116 5.652 176 HB2 GLN 24 HB3 GLN 24 -7.353 9.075 4.137 177 HB3 GLN 24 HB2 GLN 24 -8.969 9.469 4.755 178 HG2 GLN 24 HG3 GLN 24 -8.243 8.922 7.055 179 HG3 GLN 24 HG2 GLN 24 -6.649 8.490 6.473 180 HE21 GLN 24 HE21 GLN 24 -8.345 11.019 7.839 181 HE22 GLN 24 HE22 GLN 24 -7.423 12.304 7.281 182 H ASP 25 H ASP 25 -7.534 6.722 2.467 183 HA ASP 25 HA ASP 25 -9.896 7.224 0.934 184 HB2 ASP 25 HB3 ASP 25 -7.144 6.001 0.410 185 HB3 ASP 25 HB2 ASP 25 -8.363 6.229 -0.855 186 H LEU 26 H LEU 26 -7.970 4.437 2.055 187 HA LEU 26 HA LEU 26 -9.583 2.419 0.815 188 HB2 LEU 26 HB3 LEU 26 -7.712 2.190 3.187 189 HB3 LEU 26 HB2 LEU 26 -8.420 0.796 2.386 190 HG LEU 26 HG LEU 26 -6.680 2.805 0.860 191 HD11 LEU 26 HD11 LEU 26 -4.766 1.236 1.115 192 HD12 LEU 26 HD12 LEU 26 -5.761 0.189 2.132 193 HD13 LEU 26 HD13 LEU 26 -5.326 1.796 2.689 194 HD21 LEU 26 HD21 LEU 26 -7.427 -0.060 0.172 195 HD22 LEU 26 HD22 LEU 26 -6.406 0.981 -0.798 196 HD23 LEU 26 HD23 LEU 26 -8.091 1.358 -0.602 197 H LYS 27 H LYS 27 -9.918 4.014 3.828 198 HA LYS 27 HA LYS 27 -11.674 2.228 5.174 199 HB2 LYS 27 HB3 LYS 27 -10.623 4.233 6.187 200 HB3 LYS 27 HB2 LYS 27 -11.629 5.267 5.175 201 HG2 LYS 27 HG3 LYS 27 -13.675 4.508 6.317 202 HG3 LYS 27 HG2 LYS 27 -12.789 3.263 7.199 203 HD2 LYS 27 HD3 LYS 27 -13.254 5.216 8.664 204 HD3 LYS 27 HD2 LYS 27 -11.520 5.012 8.430 205 HE2 LYS 27 HE3 LYS 27 -11.391 6.926 6.940 206 HE3 LYS 27 HE2 LYS 27 -13.147 6.951 6.701 207 HZ1 LYS 27 HZ1 LYS 27 -13.253 7.326 9.195 208 HZ2 LYS 27 HZ2 LYS 27 -12.747 8.625 8.224 209 HZ3 LYS 27 HZ3 LYS 27 -11.605 7.715 9.096 210 H GLY 28 H GLY 28 -12.335 4.812 2.818 211 HA2 GLY 28 HA3 GLY 28 -15.168 4.615 2.733 212 HA3 GLY 28 HA2 GLY 28 -14.159 5.281 1.453 213 H LYS 29 H LYS 29 -12.629 2.854 1.011 214 HA LYS 29 HA LYS 29 -14.316 1.521 -0.881 215 HB2 LYS 29 HB3 LYS 29 -11.569 0.664 0.129 216 HB3 LYS 29 HB2 LYS 29 -12.332 0.200 -1.392 217 HG2 LYS 29 HG3 LYS 29 -11.541 3.056 -0.683 218 HG3 LYS 29 HG2 LYS 29 -10.551 1.972 -1.639 219 HD2 LYS 29 HD3 LYS 29 -12.386 1.796 -3.331 220 HD3 LYS 29 HD2 LYS 29 -13.348 2.939 -2.405 221 HE2 LYS 29 HE3 LYS 29 -11.650 4.695 -2.719 222 HE3 LYS 29 HE2 LYS 29 -10.630 3.556 -3.605 223 HZ1 LYS 29 HZ1 LYS 29 -11.840 3.803 -5.426 224 HZ2 LYS 29 HZ2 LYS 29 -12.592 5.126 -4.668 225 HZ3 LYS 29 HZ3 LYS 29 -13.298 3.584 -4.588 226 H GLY 30 H GLY 30 -14.402 1.250 2.285 227 HA2 GLY 30 HA3 GLY 30 -15.441 -0.204 3.717 228 HA3 GLY 30 HA2 GLY 30 -15.905 -1.155 2.312 229 H HIS 31 H HIS 31 -12.455 -0.510 2.800 230 HA HIS 31 HA HIS 31 -11.868 -3.313 2.933 231 HB2 HIS 31 HB3 HIS 31 -10.214 -0.775 3.264 232 HB3 HIS 31 HB2 HIS 31 -9.507 -2.387 3.408 233 HD2 HIS 31 HD2 HIS 31 -8.124 -2.315 0.980 234 HE1 HIS 31 HE1 HIS 31 -11.583 -2.063 -1.418 235 HE2 HIS 31 HE2 HIS 31 -9.058 -2.442 -1.453 236 H THR 32 H THR 32 -10.566 -4.289 4.630 237 HA THR 32 HA THR 32 -11.928 -3.881 7.229 238 HB THR 32 HB THR 32 -11.022 -6.094 7.796 239 HG1 THR 32 HG1 THR 32 -9.923 -6.994 5.725 240 HG21 THR 32 HG21 THR 32 -13.091 -5.991 6.369 241 HG22 THR 32 HG22 THR 32 -12.126 -7.431 6.028 242 HG23 THR 32 HG23 THR 32 -12.073 -6.058 4.928 243 H ASP 33 H ASP 33 -10.716 -3.897 9.210 244 HA ASP 33 HA ASP 33 -8.631 -1.955 9.215 245 HB2 ASP 33 HB3 ASP 33 -9.504 -3.914 11.395 246 HB3 ASP 33 HB2 ASP 33 -8.453 -2.514 11.650 247 H ALA 34 H ALA 34 -8.599 -5.524 9.634 248 HA ALA 34 HA ALA 34 -5.835 -5.794 10.122 249 HB1 ALA 34 HB1 ALA 34 -7.488 -7.634 10.381 250 HB2 ALA 34 HB2 ALA 34 -6.135 -8.146 9.367 251 HB3 ALA 34 HB3 ALA 34 -7.684 -7.718 8.629 252 H GLU 35 H GLU 35 -7.561 -5.852 6.922 253 HA GLU 35 HA GLU 35 -5.300 -6.261 5.363 254 HB2 GLU 35 HB3 GLU 35 -8.010 -5.030 4.760 255 HB3 GLU 35 HB2 GLU 35 -6.821 -5.354 3.501 256 HG2 GLU 35 HG3 GLU 35 -7.909 -7.540 5.367 257 HG3 GLU 35 HG2 GLU 35 -8.578 -7.204 3.776 258 H ILE 36 H ILE 36 -6.971 -3.382 6.246 259 HA ILE 36 HA ILE 36 -5.459 -1.526 4.776 260 HB ILE 36 HB ILE 36 -6.893 -1.215 7.434 261 HG12 ILE 36 HG13 ILE 36 -7.646 -0.018 4.702 262 HG13 ILE 36 HG12 ILE 36 -8.151 -1.612 5.172 263 HG21 ILE 36 HG21 ILE 36 -5.180 0.602 7.447 264 HG22 ILE 36 HG22 ILE 36 -6.748 1.276 7.116 265 HG23 ILE 36 HG23 ILE 36 -5.611 1.047 5.797 266 HD11 ILE 36 HD11 ILE 36 -9.356 -0.751 7.085 267 HD12 ILE 36 HD12 ILE 36 -9.881 0.116 5.635 268 HD13 ILE 36 HD13 ILE 36 -8.770 0.884 6.766 269 H GLU 37 H GLU 37 -4.948 -2.658 8.142 270 HA GLU 37 HA GLU 37 -2.668 -1.308 8.766 271 HB2 GLU 37 HB3 GLU 37 -3.653 -3.974 9.753 272 HB3 GLU 37 HB2 GLU 37 -2.315 -3.088 10.511 273 HG2 GLU 37 HG3 GLU 37 -3.792 -1.145 10.868 274 HG3 GLU 37 HG2 GLU 37 -5.116 -2.004 10.109 275 H ALA 38 H ALA 38 -3.038 -4.558 7.420 276 HA ALA 38 HA ALA 38 -0.296 -5.188 7.297 277 HB1 ALA 38 HB1 ALA 38 -1.111 -6.971 5.765 278 HB2 ALA 38 HB2 ALA 38 -2.665 -6.128 5.624 279 HB3 ALA 38 HB3 ALA 38 -2.160 -6.802 7.172 280 H ILE 39 H ILE 39 -2.530 -3.794 4.867 281 HA ILE 39 HA ILE 39 -0.661 -3.831 2.740 282 HB ILE 39 HB ILE 39 -3.260 -2.401 3.323 283 HG12 ILE 39 HG13 ILE 39 -3.815 -3.143 0.931 284 HG13 ILE 39 HG12 ILE 39 -2.214 -3.844 0.817 285 HG21 ILE 39 HG21 ILE 39 -3.193 -0.887 1.304 286 HG22 ILE 39 HG22 ILE 39 -1.464 -1.150 1.207 287 HG23 ILE 39 HG23 ILE 39 -2.143 -0.347 2.614 288 HD11 ILE 39 HD11 ILE 39 -2.904 -5.182 2.969 289 HD12 ILE 39 HD12 ILE 39 -3.606 -5.649 1.422 290 HD13 ILE 39 HD13 ILE 39 -4.537 -4.663 2.541 291 H PHE 40 H PHE 40 -1.287 -1.128 4.974 292 HA PHE 40 HA PHE 40 0.639 0.579 3.751 293 HB2 PHE 40 HB3 PHE 40 -0.137 2.210 5.146 294 HB3 PHE 40 HB2 PHE 40 -1.430 1.074 5.462 295 HD1 PHE 40 HD1 PHE 40 1.668 2.619 6.799 296 HD2 PHE 40 HD2 PHE 40 -1.450 -0.196 7.522 297 HE1 PHE 40 HE1 PHE 40 2.370 2.460 9.157 298 HE2 PHE 40 HE2 PHE 40 -0.792 -0.380 9.906 299 HZ PHE 40 HZ PHE 40 1.149 0.962 10.731 300 H THR 41 H THR 41 0.581 -1.592 6.540 301 HA THR 41 HA THR 41 3.080 -0.911 7.618 302 HB THR 41 HB THR 41 1.472 -3.466 7.598 303 HG1 THR 41 HG1 THR 41 0.660 -2.661 9.402 304 HG21 THR 41 HG21 THR 41 3.985 -2.813 9.164 305 HG22 THR 41 HG22 THR 41 3.655 -4.241 8.179 306 HG23 THR 41 HG23 THR 41 2.796 -4.000 9.691 307 H LYS 42 H LYS 42 2.289 -3.333 5.123 308 HA LYS 42 HA LYS 42 4.949 -4.370 4.842 309 HB2 LYS 42 HB3 LYS 42 2.472 -4.245 3.067 310 HB3 LYS 42 HB2 LYS 42 3.949 -5.050 2.506 311 HG2 LYS 42 HG3 LYS 42 3.862 -6.615 4.423 312 HG3 LYS 42 HG2 LYS 42 2.445 -5.798 5.059 313 HD2 LYS 42 HD3 LYS 42 1.164 -6.401 2.993 314 HD3 LYS 42 HD2 LYS 42 2.587 -7.232 2.360 315 HE2 LYS 42 HE3 LYS 42 2.520 -8.807 4.302 316 HE3 LYS 42 HE2 LYS 42 1.085 -7.978 4.916 317 HZ1 LYS 42 HZ1 LYS 42 0.929 -8.784 2.149 318 HZ2 LYS 42 HZ2 LYS 42 -0.215 -8.934 3.397 319 HZ3 LYS 42 HZ3 LYS 42 1.041 -10.070 3.249 320 H TYR 43 H TYR 43 3.179 -1.892 2.807 321 HA TYR 43 HA TYR 43 5.563 -1.346 1.301 322 HB2 TYR 43 HB3 TYR 43 3.129 0.497 1.587 323 HB3 TYR 43 HB2 TYR 43 4.345 0.542 0.297 324 HD1 TYR 43 HD1 TYR 43 4.754 -1.987 -0.749 325 HD2 TYR 43 HD2 TYR 43 1.025 -0.517 0.792 326 HE1 TYR 43 HE1 TYR 43 3.560 -3.648 -2.111 327 HE2 TYR 43 HE2 TYR 43 -0.164 -2.220 -0.583 328 HH TYR 43 HH TYR 43 0.845 -4.746 -1.650 329 H ASP 44 H ASP 44 4.199 0.087 4.257 330 HA ASP 44 HA ASP 44 6.414 2.074 4.370 331 HB2 ASP 44 HB3 ASP 44 3.978 1.889 6.184 332 HB3 ASP 44 HB2 ASP 44 5.023 3.239 5.904 333 H GLN 45 H GLN 45 8.180 0.938 5.113 334 HA GLN 45 HA GLN 45 8.090 -1.175 7.003 335 HB2 GLN 45 HB3 GLN 45 10.372 0.807 6.474 336 HB3 GLN 45 HB2 GLN 45 10.552 -0.787 7.226 337 HG2 GLN 45 HG3 GLN 45 9.541 -0.302 4.369 338 HG3 GLN 45 HG2 GLN 45 11.168 -0.801 4.793 339 HE21 GLN 45 HE21 GLN 45 7.816 -1.899 4.562 340 HE22 GLN 45 HE22 GLN 45 8.155 -3.547 4.788 341 H ASP 46 H ASP 46 8.992 2.374 7.707 342 HA ASP 46 HA ASP 46 8.448 1.835 10.583 343 HB2 ASP 46 HB3 ASP 46 9.989 4.038 9.148 344 HB3 ASP 46 HB2 ASP 46 9.828 3.876 10.902 345 H GLY 47 H GLY 47 6.911 3.076 7.839 346 HA2 GLY 47 HA3 GLY 47 5.289 4.734 7.482 347 HA3 GLY 47 HA2 GLY 47 4.584 4.038 8.923 348 H ASP 48 H ASP 48 7.522 5.948 8.458 349 HA ASP 48 HA ASP 48 6.497 8.081 10.291 350 HB2 ASP 48 HB3 ASP 48 8.384 6.656 11.115 351 HB3 ASP 48 HB2 ASP 48 9.362 7.175 9.754 352 H GLN 49 H GLN 49 7.876 7.382 7.142 353 HA GLN 49 HA GLN 49 7.912 10.295 6.440 354 HB2 GLN 49 HB3 GLN 49 9.850 9.775 4.913 355 HB3 GLN 49 HB2 GLN 49 10.247 9.599 6.618 356 HG2 GLN 49 HG3 GLN 49 9.431 7.195 4.881 357 HG3 GLN 49 HG2 GLN 49 11.100 7.687 5.090 358 HE21 GLN 49 HE21 GLN 49 8.721 5.663 6.383 359 HE22 GLN 49 HE22 GLN 49 9.431 5.387 7.898 360 H GLU 50 H GLU 50 8.018 10.545 3.993 361 HA GLU 50 HA GLU 50 5.657 9.372 2.879 362 HB2 GLU 50 HB3 GLU 50 7.744 11.279 1.705 363 HB3 GLU 50 HB2 GLU 50 6.224 10.841 0.929 364 HG2 GLU 50 HG3 GLU 50 5.872 12.981 2.037 365 HG3 GLU 50 HG2 GLU 50 4.977 11.772 2.949 366 H LEU 51 H LEU 51 5.553 8.083 1.091 367 HA LEU 51 HA LEU 51 7.832 6.233 0.695 368 HB2 LEU 51 HB3 LEU 51 4.870 6.176 -0.011 369 HB3 LEU 51 HB2 LEU 51 5.957 5.008 -0.736 370 HG LEU 51 HG LEU 51 4.780 4.138 1.315 371 HD11 LEU 51 HD11 LEU 51 7.797 4.207 1.822 372 HD12 LEU 51 HD12 LEU 51 7.066 3.227 0.563 373 HD13 LEU 51 HD13 LEU 51 6.630 2.994 2.218 374 HD21 LEU 51 HD21 LEU 51 5.360 4.924 3.546 375 HD22 LEU 51 HD22 LEU 51 4.828 6.315 2.638 376 HD23 LEU 51 HD23 LEU 51 6.544 6.062 2.922 377 H THR 52 H THR 52 9.210 6.596 -0.813 378 HA THR 52 HA THR 52 8.828 8.391 -2.973 379 HB THR 52 HB THR 52 10.986 8.266 -1.814 380 HG1 THR 52 HG1 THR 52 11.846 7.089 -4.087 381 HG21 THR 52 HG21 THR 52 11.170 5.371 -2.769 382 HG22 THR 52 HG22 THR 52 10.927 5.864 -1.100 383 HG23 THR 52 HG23 THR 52 12.433 6.252 -1.916 384 H GLU 53 H GLU 53 9.936 7.530 -4.943 385 HA GLU 53 HA GLU 53 7.988 5.856 -6.225 386 HB2 GLU 53 HB3 GLU 53 10.620 7.001 -7.258 387 HB3 GLU 53 HB2 GLU 53 9.441 6.181 -8.269 388 HG2 GLU 53 HG3 GLU 53 7.710 7.886 -7.657 389 HG3 GLU 53 HG2 GLU 53 8.902 8.718 -6.658 390 H HIS 54 H HIS 54 11.512 5.423 -5.902 391 HA HIS 54 HA HIS 54 11.638 2.854 -6.991 392 HB2 HIS 54 HB3 HIS 54 13.405 3.940 -4.737 393 HB3 HIS 54 HB2 HIS 54 13.819 2.603 -5.816 394 HD2 HIS 54 HD2 HIS 54 13.992 6.458 -5.766 395 HE1 HIS 54 HE1 HIS 54 14.872 5.257 -9.715 396 HE2 HIS 54 HE2 HIS 54 14.870 7.219 -8.103 397 H GLU 55 H GLU 55 11.430 3.577 -3.383 398 HA GLU 55 HA GLU 55 11.201 0.937 -2.585 399 HB2 GLU 55 HB3 GLU 55 9.990 3.477 -1.401 400 HB3 GLU 55 HB2 GLU 55 10.141 1.944 -0.529 401 HG2 GLU 55 HG3 GLU 55 12.617 2.038 -0.769 402 HG3 GLU 55 HG2 GLU 55 12.491 3.537 -1.680 403 H HIS 56 H HIS 56 8.570 3.277 -3.305 404 HA HIS 56 HA HIS 56 6.434 1.481 -2.812 405 HB2 HIS 56 HB3 HIS 56 6.157 3.937 -2.919 406 HB3 HIS 56 HB2 HIS 56 6.530 3.926 -4.617 407 HD2 HIS 56 HD2 HIS 56 3.646 2.454 -2.306 408 HE1 HIS 56 HE1 HIS 56 2.216 2.792 -6.262 409 HE2 HIS 56 HE2 HIS 56 1.590 2.147 -3.887 410 H GLN 57 H GLN 57 7.974 2.401 -5.996 411 HA GLN 57 HA GLN 57 6.300 0.680 -7.545 412 HB2 GLN 57 HB3 GLN 57 9.005 1.977 -8.066 413 HB3 GLN 57 HB2 GLN 57 8.383 0.826 -9.220 414 HG2 GLN 57 HG3 GLN 57 7.695 2.954 -10.055 415 HG3 GLN 57 HG2 GLN 57 6.257 2.274 -9.367 416 HE21 GLN 57 HE21 GLN 57 6.297 2.975 -6.715 417 HE22 GLN 57 HE22 GLN 57 6.468 4.656 -6.531 418 H GLN 58 H GLN 58 9.467 0.028 -5.978 419 HA GLN 58 HA GLN 58 9.951 -2.472 -7.198 420 HB2 GLN 58 HB3 GLN 58 11.567 -1.146 -5.776 421 HB3 GLN 58 HB2 GLN 58 10.716 -1.705 -4.340 422 HG2 GLN 58 HG3 GLN 58 11.244 -4.091 -5.049 423 HG3 GLN 58 HG2 GLN 58 12.155 -3.457 -6.406 424 HE21 GLN 58 HE21 GLN 58 14.378 -3.215 -5.974 425 HE22 GLN 58 HE22 GLN 58 15.052 -3.023 -4.428 426 H MET 59 H MET 59 8.410 -1.852 -3.963 427 HA MET 59 HA MET 59 7.715 -4.524 -3.454 428 HB2 MET 59 HB3 MET 59 6.312 -1.982 -2.548 429 HB3 MET 59 HB2 MET 59 6.178 -3.582 -1.777 430 HG2 MET 59 HG3 MET 59 8.754 -1.989 -2.005 431 HG3 MET 59 HG2 MET 59 7.738 -2.012 -0.587 432 HE1 MET 59 HE1 MET 59 10.987 -3.330 -1.571 433 HE2 MET 59 HE2 MET 59 10.038 -3.930 -2.924 434 HE3 MET 59 HE3 MET 59 10.829 -5.067 -1.840 435 H ARG 60 H ARG 60 5.995 -1.945 -5.093 436 HA ARG 60 HA ARG 60 3.458 -3.131 -5.292 437 HB2 ARG 60 HB3 ARG 60 4.020 -0.768 -5.914 438 HB3 ARG 60 HB2 ARG 60 4.839 -1.344 -7.366 439 HG2 ARG 60 HG3 ARG 60 2.675 -2.340 -8.158 440 HG3 ARG 60 HG2 ARG 60 1.880 -1.742 -6.704 441 HD2 ARG 60 HD3 ARG 60 1.438 -0.210 -8.553 442 HD3 ARG 60 HD2 ARG 60 2.507 0.584 -7.399 443 HE ARG 60 HE ARG 60 4.159 0.649 -9.018 444 HH11 ARG 60 HH21 ARG 60 1.780 -1.728 -9.937 445 HH12 ARG 60 HH22 ARG 60 2.494 -2.027 -11.487 446 HH21 ARG 60 HH11 ARG 60 5.061 0.255 -11.052 447 HH22 ARG 60 HH12 ARG 60 4.347 -0.908 -12.116 448 H ASP 61 H ASP 61 6.203 -3.300 -7.668 449 HA ASP 61 HA ASP 61 4.986 -5.080 -9.462 450 HB2 ASP 61 HB3 ASP 61 7.898 -4.590 -8.711 451 HB3 ASP 61 HB2 ASP 61 7.385 -5.482 -10.152 452 H ASP 62 H ASP 62 7.024 -5.630 -6.611 453 HA ASP 62 HA ASP 62 7.248 -8.462 -6.835 454 HB2 ASP 62 HB3 ASP 62 7.288 -6.768 -4.284 455 HB3 ASP 62 HB2 ASP 62 7.942 -8.397 -4.456 456 H LEU 63 H LEU 63 4.914 -6.428 -4.963 457 HA LEU 63 HA LEU 63 3.451 -8.621 -3.907 458 HB2 LEU 63 HB3 LEU 63 3.053 -5.635 -4.024 459 HB3 LEU 63 HB2 LEU 63 1.588 -6.564 -3.794 460 HG LEU 63 HG LEU 63 2.529 -5.849 -1.615 461 HD11 LEU 63 HD11 LEU 63 2.055 -7.760 -0.438 462 HD12 LEU 63 HD12 LEU 63 3.017 -8.830 -1.445 463 HD13 LEU 63 HD13 LEU 63 1.434 -8.288 -1.991 464 HD21 LEU 63 HD21 LEU 63 4.935 -5.746 -2.203 465 HD22 LEU 63 HD22 LEU 63 5.013 -7.495 -2.297 466 HD23 LEU 63 HD23 LEU 63 4.693 -6.709 -0.764 467 H GLU 64 H GLU 64 2.853 -6.593 -6.852 468 HA GLU 64 HA GLU 64 0.440 -7.857 -7.570 469 HB2 GLU 64 HB3 GLU 64 1.419 -5.767 -8.557 470 HB3 GLU 64 HB2 GLU 64 2.614 -6.741 -9.404 471 HG2 GLU 64 HG3 GLU 64 0.765 -7.924 -10.625 472 HG3 GLU 64 HG2 GLU 64 -0.417 -6.947 -9.764 473 H LYS 65 H LYS 65 3.796 -8.681 -8.472 474 HA LYS 65 HA LYS 65 3.245 -10.911 -10.091 475 HB2 LYS 65 HB3 LYS 65 5.650 -10.137 -8.397 476 HB3 LYS 65 HB2 LYS 65 5.697 -11.520 -9.492 477 HG2 LYS 65 HG3 LYS 65 4.889 -8.758 -10.555 478 HG3 LYS 65 HG2 LYS 65 6.593 -9.148 -10.354 479 HD2 LYS 65 HD3 LYS 65 6.365 -11.086 -11.884 480 HD3 LYS 65 HD2 LYS 65 4.642 -10.783 -12.057 481 HE2 LYS 65 HE3 LYS 65 6.831 -8.835 -12.896 482 HE3 LYS 65 HE2 LYS 65 5.902 -9.859 -13.996 483 HZ1 LYS 65 HZ1 LYS 65 4.571 -8.060 -14.070 484 HZ2 LYS 65 HZ2 LYS 65 5.104 -7.456 -12.574 485 HZ3 LYS 65 HZ3 LYS 65 3.944 -8.694 -12.625 486 H GLU 66 H GLU 66 3.669 -10.663 -6.607 487 HA GLU 66 HA GLU 66 3.653 -13.524 -6.081 488 HB2 GLU 66 HB3 GLU 66 3.318 -11.062 -4.321 489 HB3 GLU 66 HB2 GLU 66 3.183 -12.691 -3.655 490 HG2 GLU 66 HG3 GLU 66 5.491 -13.217 -4.336 491 HG3 GLU 66 HG2 GLU 66 5.651 -11.685 -5.163 492 H ARG 67 H ARG 67 1.199 -10.918 -5.975 493 HA ARG 67 HA ARG 67 -0.963 -12.359 -4.936 494 HB2 ARG 67 HB3 ARG 67 -0.894 -10.130 -6.997 495 HB3 ARG 67 HB2 ARG 67 -2.382 -10.686 -6.249 496 HG2 ARG 67 HG3 ARG 67 -0.247 -10.004 -4.218 497 HG3 ARG 67 HG2 ARG 67 -0.716 -8.619 -5.192 498 HD2 ARG 67 HD3 ARG 67 -2.090 -8.831 -3.092 499 HD3 ARG 67 HD2 ARG 67 -3.073 -8.905 -4.560 500 HE ARG 67 HE ARG 67 -2.293 -11.529 -3.765 501 HH11 ARG 67 HH21 ARG 67 -4.445 -8.939 -2.888 502 HH12 ARG 67 HH22 ARG 67 -5.617 -9.989 -2.166 503 HH21 ARG 67 HH11 ARG 67 -3.832 -12.881 -2.828 504 HH22 ARG 67 HH12 ARG 67 -5.272 -12.215 -2.134 505 H GLU 68 H GLU 68 0.075 -12.083 -8.355 506 HA GLU 68 HA GLU 68 -2.013 -13.689 -9.471 507 HB2 GLU 68 HB3 GLU 68 0.809 -13.071 -10.480 508 HB3 GLU 68 HB2 GLU 68 -0.473 -13.801 -11.462 509 HG2 GLU 68 HG3 GLU 68 -1.891 -11.787 -11.127 510 HG3 GLU 68 HG2 GLU 68 -0.647 -11.063 -10.123 511 H ASP 69 H ASP 69 1.440 -14.470 -9.047 512 HA ASP 69 HA ASP 69 1.323 -17.191 -9.537 513 HB2 ASP 69 HB3 ASP 69 3.139 -15.751 -7.546 514 HB3 ASP 69 HB2 ASP 69 3.422 -17.384 -8.153 515 H LEU 70 H LEU 70 0.785 -15.520 -6.424 516 HA LEU 70 HA LEU 70 0.449 -17.783 -4.804 517 HB2 LEU 70 HB3 LEU 70 0.675 -15.502 -3.882 518 HB3 LEU 70 HB2 LEU 70 -0.867 -15.040 -4.588 519 HG LEU 70 HG LEU 70 -2.019 -16.672 -3.058 520 HD11 LEU 70 HD11 LEU 70 -0.434 -18.407 -2.621 521 HD12 LEU 70 HD12 LEU 70 -0.597 -17.599 -1.077 522 HD13 LEU 70 HD13 LEU 70 0.808 -17.281 -2.092 523 HD21 LEU 70 HD21 LEU 70 -0.212 -14.716 -1.577 524 HD22 LEU 70 HD22 LEU 70 -1.713 -15.407 -0.953 525 HD23 LEU 70 HD23 LEU 70 -1.757 -14.316 -2.333 526 H ASP 71 H ASP 71 -1.929 -16.011 -6.721 527 HA ASP 71 HA ASP 71 -4.197 -17.617 -5.932 528 HB2 ASP 71 HB3 ASP 71 -3.782 -15.732 -8.302 529 HB3 ASP 71 HB2 ASP 71 -5.339 -16.398 -7.800 530 H LEU 72 H LEU 72 -2.537 -17.243 -9.072 531 HA LEU 72 HA LEU 72 -3.593 -19.543 -10.291 532 HB2 LEU 72 HB3 LEU 72 -0.938 -18.142 -10.866 533 HB3 LEU 72 HB2 LEU 72 -1.801 -19.211 -11.979 534 HG LEU 72 HG LEU 72 -2.823 -16.515 -10.940 535 HD11 LEU 72 HD11 LEU 72 -2.476 -15.721 -13.262 536 HD12 LEU 72 HD12 LEU 72 -1.833 -17.298 -13.721 537 HD13 LEU 72 HD13 LEU 72 -0.958 -16.290 -12.566 538 HD21 LEU 72 HD21 LEU 72 -4.156 -18.575 -12.775 539 HD22 LEU 72 HD22 LEU 72 -4.603 -16.871 -12.834 540 HD23 LEU 72 HD23 LEU 72 -4.824 -17.776 -11.355 541 H ASP 73 H ASP 73 -3.456 -21.336 -8.935 542 HA ASP 73 HA ASP 73 -1.148 -22.241 -7.580 543 HB2 ASP 73 HB3 ASP 73 -2.367 -24.413 -7.467 544 HB3 ASP 73 HB2 ASP 73 -3.423 -23.057 -7.081 545 H HIS 74 H HIS 74 0.251 -24.036 -8.109 546 HA HIS 74 HA HIS 74 1.421 -23.903 -10.706 547 HB2 HIS 74 HB3 HIS 74 1.758 -26.023 -8.520 548 HB3 HIS 74 HB2 HIS 74 2.851 -25.780 -9.891 549 HD2 HIS 74 HD2 HIS 74 2.421 -24.477 -6.324 550 HE1 HIS 74 HE1 HIS 74 4.869 -21.655 -8.290 551 HE2 HIS 74 HE2 HIS 74 3.987 -22.410 -6.031 552 H SER 75 H SER 75 -0.938 -26.070 -9.244 553 HA SER 75 HA SER 75 -1.822 -27.055 -11.838 554 HB2 SER 75 HB3 SER 75 -0.541 -28.976 -9.840 555 HB3 SER 75 HB2 SER 75 -1.371 -29.450 -11.328 556 HG SER 75 HG SER 75 0.412 -29.049 -12.329 557 H SER 76 H SER 76 -3.643 -28.608 -11.548 558 HA SER 76 HA SER 76 -5.644 -27.583 -9.850 559 HB2 SER 76 HB3 SER 76 -5.483 -30.275 -11.266 560 HB3 SER 76 HB2 SER 76 -6.958 -29.588 -10.576 561 HG SER 76 HG SER 76 -6.979 -28.077 -12.102 562 H LEU 77 H LEU 77 -3.436 -30.317 -9.481 563 HA LEU 77 HA LEU 77 -4.644 -31.477 -7.197 564 HB2 LEU 77 HB3 LEU 77 -1.931 -31.699 -8.532 565 HB3 LEU 77 HB2 LEU 77 -2.131 -32.445 -6.954 566 HG LEU 77 HG LEU 77 -4.034 -33.799 -7.821 567 HD11 LEU 77 HD11 LEU 77 -3.430 -32.410 -10.485 568 HD12 LEU 77 HD12 LEU 77 -4.948 -32.388 -9.584 569 HD13 LEU 77 HD13 LEU 77 -4.414 -33.871 -10.353 570 HD21 LEU 77 HD21 LEU 77 -1.511 -34.053 -9.528 571 HD22 LEU 77 HD22 LEU 77 -2.703 -35.326 -9.253 572 HD23 LEU 77 HD23 LEU 77 -1.729 -34.736 -7.912 573 HA PRO 78 HA PRO 78 -3.532 -28.892 -3.645 574 HB2 PRO 78 HB3 PRO 78 -2.014 -31.373 -2.686 575 HB3 PRO 78 HB2 PRO 78 -3.036 -30.265 -1.732 576 HG2 PRO 78 HG3 PRO 78 -4.047 -32.592 -2.559 577 HG3 PRO 78 HG2 PRO 78 -5.034 -31.112 -2.671 578 HD2 PRO 78 HD2 PRO 78 -3.649 -32.610 -4.911 579 HD3 PRO 78 HD3 PRO 78 -5.167 -31.670 -4.934 Start of MODEL 2 1 H1 ASN 1 1H ASN 1 -11.347 2.643 -14.764 2 H2 ASN 1 2H ASN 1 -12.570 3.504 -13.956 3 H3 ASN 1 3H ASN 1 -12.834 1.896 -14.436 4 HA ASN 1 HA ASN 1 -10.811 1.371 -12.953 5 HB2 ASN 1 HB3 ASN 1 -11.832 4.013 -11.806 6 HB3 ASN 1 HB2 ASN 1 -10.643 2.962 -11.034 7 HD21 ASN 1 HD21 ASN 1 -9.058 2.278 -13.331 8 HD22 ASN 1 HD22 ASN 1 -8.303 3.690 -13.894 9 H THR 2 H THR 2 -13.699 1.009 -13.724 10 HA THR 2 HA THR 2 -15.351 0.863 -11.410 11 HB THR 2 HB THR 2 -16.352 0.784 -13.642 12 HG1 THR 2 HG1 THR 2 -17.118 -0.581 -11.753 13 HG21 THR 2 HG21 THR 2 -14.913 -1.889 -14.008 14 HG22 THR 2 HG22 THR 2 -14.491 -0.392 -14.840 15 HG23 THR 2 HG23 THR 2 -16.049 -1.161 -15.138 16 H VAL 3 H VAL 3 -12.769 -1.124 -12.565 17 HA VAL 3 HA VAL 3 -13.418 -3.613 -11.394 18 HB VAL 3 HB VAL 3 -10.938 -4.049 -11.516 19 HG11 VAL 3 HG11 VAL 3 -10.734 -3.763 -13.989 20 HG12 VAL 3 HG12 VAL 3 -12.098 -2.642 -13.979 21 HG13 VAL 3 HG13 VAL 3 -12.345 -4.335 -13.553 22 HG21 VAL 3 HG21 VAL 3 -9.451 -2.241 -12.423 23 HG22 VAL 3 HG22 VAL 3 -10.127 -1.768 -10.873 24 HG23 VAL 3 HG23 VAL 3 -10.792 -1.097 -12.360 25 H ASP 4 H ASP 4 -12.184 -0.644 -10.015 26 HA ASP 4 HA ASP 4 -11.439 -0.055 -7.915 27 HB2 ASP 4 HB3 ASP 4 -13.103 -0.551 -6.135 28 HB3 ASP 4 HB2 ASP 4 -13.898 -0.087 -7.638 29 H ASP 5 H ASP 5 -9.840 -2.041 -8.853 30 HA ASP 5 HA ASP 5 -9.521 -4.369 -7.323 31 HB2 ASP 5 HB3 ASP 5 -7.402 -2.646 -8.689 32 HB3 ASP 5 HB2 ASP 5 -7.148 -4.309 -8.153 33 H ILE 6 H ILE 6 -7.895 -4.851 -5.686 34 HA ILE 6 HA ILE 6 -8.005 -3.069 -3.462 35 HB ILE 6 HB ILE 6 -7.873 -5.514 -3.199 36 HG12 ILE 6 HG13 ILE 6 -5.327 -4.249 -2.016 37 HG13 ILE 6 HG12 ILE 6 -6.940 -3.969 -1.367 38 HG21 ILE 6 HG21 ILE 6 -6.406 -6.011 -5.153 39 HG22 ILE 6 HG22 ILE 6 -5.775 -6.759 -3.693 40 HG23 ILE 6 HG23 ILE 6 -5.033 -5.290 -4.316 41 HD11 ILE 6 HD11 ILE 6 -5.607 -6.697 -1.594 42 HD12 ILE 6 HD12 ILE 6 -7.210 -6.379 -0.930 43 HD13 ILE 6 HD13 ILE 6 -5.779 -5.749 -0.119 44 H SER 7 H SER 7 -5.641 -3.609 -5.988 45 HA SER 7 HA SER 7 -3.541 -2.000 -4.791 46 HB2 SER 7 HB3 SER 7 -3.036 -3.921 -6.268 47 HB3 SER 7 HB2 SER 7 -3.855 -3.114 -7.600 48 HG SER 7 HG SER 7 -1.484 -2.377 -6.244 49 H GLU 8 H GLU 8 -6.410 -0.948 -5.782 50 HA GLU 8 HA GLU 8 -5.939 0.974 -7.809 51 HB2 GLU 8 HB3 GLU 8 -8.045 2.037 -7.003 52 HB3 GLU 8 HB2 GLU 8 -8.204 0.285 -7.113 53 HG2 GLU 8 HG3 GLU 8 -7.630 0.204 -4.567 54 HG3 GLU 8 HG2 GLU 8 -7.821 1.952 -4.571 55 H SER 9 H SER 9 -5.618 1.209 -4.270 56 HA SER 9 HA SER 9 -4.980 4.006 -4.158 57 HB2 SER 9 HB3 SER 9 -4.350 1.730 -2.247 58 HB3 SER 9 HB2 SER 9 -4.228 3.448 -1.850 59 HG SER 9 HG SER 9 -6.530 3.484 -2.598 60 H LEU 10 H LEU 10 -3.021 1.011 -4.114 61 HA LEU 10 HA LEU 10 -0.459 2.247 -4.020 62 HB2 LEU 10 HB3 LEU 10 -1.329 -0.438 -5.176 63 HB3 LEU 10 HB2 LEU 10 0.328 -0.019 -4.730 64 HG LEU 10 HG LEU 10 -2.027 -0.110 -2.762 65 HD11 LEU 10 HD11 LEU 10 0.207 -2.094 -3.209 66 HD12 LEU 10 HD12 LEU 10 -1.480 -2.363 -3.537 67 HD13 LEU 10 HD13 LEU 10 -0.933 -2.171 -1.880 68 HD21 LEU 10 HD21 LEU 10 -0.438 1.427 -1.818 69 HD22 LEU 10 HD22 LEU 10 0.952 0.493 -2.373 70 HD23 LEU 10 HD23 LEU 10 -0.043 -0.088 -1.065 71 H ARG 11 H ARG 11 -2.569 1.432 -6.724 72 HA ARG 11 HA ARG 11 -0.736 1.750 -8.841 73 HB2 ARG 11 HB3 ARG 11 -3.017 0.758 -9.069 74 HB3 ARG 11 HB2 ARG 11 -3.732 2.350 -8.825 75 HG2 ARG 11 HG3 ARG 11 -2.586 3.171 -10.902 76 HG3 ARG 11 HG2 ARG 11 -1.865 1.583 -11.130 77 HD2 ARG 11 HD3 ARG 11 -4.134 0.591 -11.370 78 HD3 ARG 11 HD2 ARG 11 -4.865 2.180 -11.121 79 HE ARG 11 HE ARG 11 -3.678 1.184 -13.556 80 HH11 ARG 11 HH21 ARG 11 -4.296 4.074 -11.710 81 HH12 ARG 11 HH22 ARG 11 -4.128 5.133 -13.071 82 HH21 ARG 11 HH11 ARG 11 -3.456 2.586 -15.319 83 HH22 ARG 11 HH12 ARG 11 -3.651 4.292 -15.102 84 H GLN 12 H GLN 12 -2.315 4.155 -6.820 85 HA GLN 12 HA GLN 12 -2.252 6.440 -8.419 86 HB2 GLN 12 HB3 GLN 12 -1.649 6.215 -5.435 87 HB3 GLN 12 HB2 GLN 12 -2.022 7.728 -6.262 88 HG2 GLN 12 HG3 GLN 12 -4.264 6.884 -6.880 89 HG3 GLN 12 HG2 GLN 12 -3.913 5.323 -6.145 90 HE21 GLN 12 HE21 GLN 12 -5.989 7.464 -5.415 91 HE22 GLN 12 HE22 GLN 12 -5.727 7.747 -3.762 92 H GLY 13 H GLY 13 0.278 5.735 -5.968 93 HA2 GLY 13 HA3 GLY 13 2.556 6.063 -5.972 94 HA3 GLY 13 HA2 GLY 13 2.509 5.985 -7.732 95 H GLY 14 H GLY 14 0.452 8.284 -6.226 96 HA2 GLY 14 HA3 GLY 14 1.306 10.532 -7.562 97 HA3 GLY 14 HA2 GLY 14 0.485 10.577 -6.008 98 H GLY 15 H GLY 15 2.869 8.982 -4.898 99 HA2 GLY 15 HA3 GLY 15 5.176 9.399 -4.418 100 HA3 GLY 15 HA2 GLY 15 4.965 11.107 -4.766 101 H LYS 16 H LYS 16 3.346 12.253 -3.314 102 HA LYS 16 HA LYS 16 4.148 11.912 -0.573 103 HB2 LYS 16 HB3 LYS 16 1.903 13.607 -1.780 104 HB3 LYS 16 HB2 LYS 16 2.507 13.730 -0.125 105 HG2 LYS 16 HG3 LYS 16 4.772 14.346 -0.977 106 HG3 LYS 16 HG2 LYS 16 4.200 14.158 -2.635 107 HD2 LYS 16 HD3 LYS 16 4.204 16.544 -2.097 108 HD3 LYS 16 HD2 LYS 16 2.528 16.020 -2.241 109 HE2 LYS 16 HE3 LYS 16 2.265 16.043 0.200 110 HE3 LYS 16 HE2 LYS 16 4.002 16.255 0.437 111 HZ1 LYS 16 HZ1 LYS 16 2.092 18.165 -0.769 112 HZ2 LYS 16 HZ2 LYS 16 3.780 18.375 -0.782 113 HZ3 LYS 16 HZ3 LYS 16 2.936 18.327 0.692 114 H LEU 17 H LEU 17 3.475 10.146 0.554 115 HA LEU 17 HA LEU 17 0.588 9.675 0.920 116 HB2 LEU 17 HB3 LEU 17 2.439 7.797 -0.527 117 HB3 LEU 17 HB2 LEU 17 1.452 7.005 0.690 118 HG LEU 17 HG LEU 17 0.352 8.752 -1.566 119 HD11 LEU 17 HD11 LEU 17 0.450 5.715 -1.333 120 HD12 LEU 17 HD12 LEU 17 1.336 6.708 -2.495 121 HD13 LEU 17 HD13 LEU 17 -0.420 6.606 -2.585 122 HD21 LEU 17 HD21 LEU 17 -1.784 7.154 -0.667 123 HD22 LEU 17 HD22 LEU 17 -1.502 8.816 -0.197 124 HD23 LEU 17 HD23 LEU 17 -0.956 7.519 0.853 125 H ASN 18 H ASN 18 0.168 9.341 2.965 126 HA ASN 18 HA ASN 18 2.264 8.393 4.881 127 HB2 ASN 18 HB3 ASN 18 2.178 10.822 5.159 128 HB3 ASN 18 HB2 ASN 18 0.424 10.820 5.078 129 HD21 ASN 18 HD21 ASN 18 -0.761 10.267 7.003 130 HD22 ASN 18 HD22 ASN 18 -0.004 10.043 8.498 131 H PHE 19 H PHE 19 1.465 7.031 6.370 132 HA PHE 19 HA PHE 19 -0.380 5.220 6.085 133 HB2 PHE 19 HB3 PHE 19 -0.585 4.946 8.530 134 HB3 PHE 19 HB2 PHE 19 1.077 5.319 8.065 135 HD1 PHE 19 HD2 PHE 19 -2.041 6.720 9.579 136 HD2 PHE 19 HD1 PHE 19 2.121 7.499 8.684 137 HE1 PHE 19 HE2 PHE 19 -2.091 8.724 11.042 138 HE2 PHE 19 HE1 PHE 19 2.050 9.497 10.147 139 HZ PHE 19 HZ PHE 19 -0.046 10.110 11.332 140 H ASP 20 H ASP 20 -1.280 8.493 7.080 141 HA ASP 20 HA ASP 20 -4.065 7.927 7.647 142 HB2 ASP 20 HB3 ASP 20 -2.742 9.831 8.624 143 HB3 ASP 20 HB2 ASP 20 -2.696 10.595 7.042 144 H GLU 21 H GLU 21 -2.340 9.426 4.925 145 HA GLU 21 HA GLU 21 -4.549 10.093 3.333 146 HB2 GLU 21 HB3 GLU 21 -1.738 9.319 2.457 147 HB3 GLU 21 HB2 GLU 21 -2.896 10.162 1.423 148 HG2 GLU 21 HG3 GLU 21 -1.861 11.247 4.098 149 HG3 GLU 21 HG2 GLU 21 -1.210 11.698 2.525 150 H LEU 22 H LEU 22 -2.692 7.161 3.321 151 HA LEU 22 HA LEU 22 -4.332 5.931 1.182 152 HB2 LEU 22 HB3 LEU 22 -2.992 3.875 1.614 153 HB3 LEU 22 HB2 LEU 22 -2.035 5.292 1.189 154 HG LEU 22 HG LEU 22 -2.053 5.502 4.021 155 HD11 LEU 22 HD11 LEU 22 -3.188 3.188 4.028 156 HD12 LEU 22 HD12 LEU 22 -1.789 3.440 5.037 157 HD13 LEU 22 HD13 LEU 22 -1.630 2.569 3.504 158 HD21 LEU 22 HD21 LEU 22 0.318 4.553 3.882 159 HD22 LEU 22 HD22 LEU 22 -0.023 5.852 2.759 160 HD23 LEU 22 HD23 LEU 22 0.008 4.185 2.193 161 H ARG 23 H ARG 23 -3.955 5.436 4.707 162 HA ARG 23 HA ARG 23 -5.799 3.308 4.967 163 HB2 ARG 23 HB3 ARG 23 -4.246 3.901 6.767 164 HB3 ARG 23 HB2 ARG 23 -5.064 5.448 6.996 165 HG2 ARG 23 HG3 ARG 23 -6.944 3.138 7.246 166 HG3 ARG 23 HG2 ARG 23 -5.655 3.069 8.440 167 HD2 ARG 23 HD3 ARG 23 -7.473 5.465 7.956 168 HD3 ARG 23 HD2 ARG 23 -7.678 4.291 9.264 169 HE ARG 23 HE ARG 23 -5.053 5.300 9.411 170 HH11 ARG 23 HH21 ARG 23 -8.336 6.433 9.777 171 HH12 ARG 23 HH22 ARG 23 -7.916 7.663 10.922 172 HH21 ARG 23 HH11 ARG 23 -4.538 6.904 10.914 173 HH22 ARG 23 HH12 ARG 23 -5.777 7.926 11.562 174 H GLN 24 H GLN 24 -6.400 6.800 5.452 175 HA GLN 24 HA GLN 24 -9.086 6.672 6.120 176 HB2 GLN 24 HB3 GLN 24 -9.210 9.008 5.635 177 HB3 GLN 24 HB2 GLN 24 -7.575 8.671 6.206 178 HG2 GLN 24 HG3 GLN 24 -6.867 8.575 3.736 179 HG3 GLN 24 HG2 GLN 24 -8.455 9.147 3.303 180 HE21 GLN 24 HE21 GLN 24 -7.719 10.579 6.235 181 HE22 GLN 24 HE22 GLN 24 -7.094 12.019 5.650 182 H ASP 25 H ASP 25 -7.623 6.458 2.870 183 HA ASP 25 HA ASP 25 -10.035 6.805 1.377 184 HB2 ASP 25 HB3 ASP 25 -7.731 7.431 0.618 185 HB3 ASP 25 HB2 ASP 25 -7.277 5.731 0.633 186 H LEU 26 H LEU 26 -7.881 4.098 2.269 187 HA LEU 26 HA LEU 26 -9.260 2.048 0.857 188 HB2 LEU 26 HB3 LEU 26 -7.495 1.890 3.312 189 HB3 LEU 26 HB2 LEU 26 -8.026 0.475 2.417 190 HG LEU 26 HG LEU 26 -6.489 2.687 0.956 191 HD11 LEU 26 HD11 LEU 26 -5.066 2.044 2.884 192 HD12 LEU 26 HD12 LEU 26 -4.366 1.444 1.389 193 HD13 LEU 26 HD13 LEU 26 -5.232 0.341 2.462 194 HD21 LEU 26 HD21 LEU 26 -5.831 0.806 -0.540 195 HD22 LEU 26 HD22 LEU 26 -7.572 0.921 -0.448 196 HD23 LEU 26 HD23 LEU 26 -6.725 -0.317 0.459 197 H LYS 27 H LYS 27 -9.846 3.443 3.973 198 HA LYS 27 HA LYS 27 -11.509 1.468 5.162 199 HB2 LYS 27 HB3 LYS 27 -10.593 3.451 6.357 200 HB3 LYS 27 HB2 LYS 27 -11.629 4.501 5.391 201 HG2 LYS 27 HG3 LYS 27 -13.656 3.512 6.398 202 HG3 LYS 27 HG2 LYS 27 -12.686 2.300 7.239 203 HD2 LYS 27 HD3 LYS 27 -13.356 4.122 8.791 204 HD3 LYS 27 HD2 LYS 27 -11.604 4.075 8.605 205 HE2 LYS 27 HE3 LYS 27 -11.593 6.083 7.251 206 HE3 LYS 27 HE2 LYS 27 -13.330 5.962 6.924 207 HZ1 LYS 27 HZ1 LYS 27 -11.979 7.126 9.166 208 HZ2 LYS 27 HZ2 LYS 27 -13.186 6.030 9.645 209 HZ3 LYS 27 HZ3 LYS 27 -13.576 7.338 8.635 210 H GLY 28 H GLY 28 -12.237 4.172 2.970 211 HA2 GLY 28 HA3 GLY 28 -15.057 3.822 2.782 212 HA3 GLY 28 HA2 GLY 28 -14.041 4.645 1.602 213 H LYS 29 H LYS 29 -12.341 2.376 0.992 214 HA LYS 29 HA LYS 29 -13.907 1.103 -1.055 215 HB2 LYS 29 HB3 LYS 29 -11.134 0.320 -0.036 216 HB3 LYS 29 HB2 LYS 29 -11.824 -0.047 -1.616 217 HG2 LYS 29 HG3 LYS 29 -11.227 2.774 -0.643 218 HG3 LYS 29 HG2 LYS 29 -10.141 1.836 -1.650 219 HD2 LYS 29 HD3 LYS 29 -11.928 1.702 -3.410 220 HD3 LYS 29 HD2 LYS 29 -12.968 2.713 -2.419 221 HE2 LYS 29 HE3 LYS 29 -11.339 4.564 -2.533 222 HE3 LYS 29 HE2 LYS 29 -10.258 3.555 -3.505 223 HZ1 LYS 29 HZ1 LYS 29 -11.458 3.929 -5.314 224 HZ2 LYS 29 HZ2 LYS 29 -12.285 5.134 -4.448 225 HZ3 LYS 29 HZ3 LYS 29 -12.913 3.558 -4.530 226 H GLY 30 H GLY 30 -14.087 0.566 2.079 227 HA2 GLY 30 HA3 GLY 30 -15.057 -1.087 3.345 228 HA3 GLY 30 HA2 GLY 30 -15.387 -1.956 1.854 229 H HIS 31 H HIS 31 -12.004 -1.112 2.545 230 HA HIS 31 HA HIS 31 -11.245 -3.879 2.557 231 HB2 HIS 31 HB3 HIS 31 -9.755 -1.267 3.047 232 HB3 HIS 31 HB2 HIS 31 -8.965 -2.846 3.093 233 HD2 HIS 31 HD2 HIS 31 -7.583 -2.596 0.676 234 HE1 HIS 31 HE1 HIS 31 -11.031 -2.313 -1.730 235 HE2 HIS 31 HE2 HIS 31 -8.497 -2.558 -1.761 236 H THR 32 H THR 32 -9.894 -4.799 4.243 237 HA THR 32 HA THR 32 -11.295 -4.568 6.860 238 HB THR 32 HB THR 32 -10.339 -6.781 7.310 239 HG1 THR 32 HG1 THR 32 -9.258 -7.168 4.860 240 HG21 THR 32 HG21 THR 32 -11.379 -6.646 4.438 241 HG22 THR 32 HG22 THR 32 -12.407 -6.658 5.874 242 HG23 THR 32 HG23 THR 32 -11.409 -8.059 5.488 243 H ASP 33 H ASP 33 -10.050 -4.680 8.832 244 HA ASP 33 HA ASP 33 -8.015 -2.700 8.947 245 HB2 ASP 33 HB3 ASP 33 -8.787 -4.839 10.983 246 HB3 ASP 33 HB2 ASP 33 -7.772 -3.435 11.330 247 H ALA 34 H ALA 34 -7.900 -6.261 8.949 248 HA ALA 34 HA ALA 34 -5.124 -6.562 9.397 249 HB1 ALA 34 HB1 ALA 34 -5.400 -8.806 8.374 250 HB2 ALA 34 HB2 ALA 34 -6.969 -8.320 7.724 251 HB3 ALA 34 HB3 ALA 34 -6.738 -8.442 9.467 252 H GLU 35 H GLU 35 -6.906 -6.323 6.185 253 HA GLU 35 HA GLU 35 -4.575 -6.420 4.615 254 HB2 GLU 35 HB3 GLU 35 -7.346 -5.267 4.128 255 HB3 GLU 35 HB2 GLU 35 -6.147 -5.419 2.843 256 HG2 GLU 35 HG3 GLU 35 -7.172 -7.790 4.498 257 HG3 GLU 35 HG2 GLU 35 -7.814 -7.346 2.921 258 H ILE 36 H ILE 36 -6.439 -3.677 5.773 259 HA ILE 36 HA ILE 36 -5.041 -1.613 4.485 260 HB ILE 36 HB ILE 36 -6.465 -1.636 7.173 261 HG12 ILE 36 HG13 ILE 36 -7.406 -0.396 4.540 262 HG13 ILE 36 HG12 ILE 36 -7.735 -2.056 4.931 263 HG21 ILE 36 HG21 ILE 36 -5.430 0.811 5.626 264 HG22 ILE 36 HG22 ILE 36 -4.984 0.344 7.271 265 HG23 ILE 36 HG23 ILE 36 -6.602 0.887 6.932 266 HD11 ILE 36 HD11 ILE 36 -8.569 0.284 6.670 267 HD12 ILE 36 HD12 ILE 36 -8.987 -1.418 6.911 268 HD13 ILE 36 HD13 ILE 36 -9.618 -0.538 5.518 269 H GLU 37 H GLU 37 -4.475 -2.880 7.824 270 HA GLU 37 HA GLU 37 -2.326 -1.274 8.418 271 HB2 GLU 37 HB3 GLU 37 -1.977 -2.599 10.364 272 HB3 GLU 37 HB2 GLU 37 -3.706 -2.510 10.047 273 HG2 GLU 37 HG3 GLU 37 -3.524 -4.776 8.975 274 HG3 GLU 37 HG2 GLU 37 -1.869 -4.892 9.506 275 H ALA 38 H ALA 38 -2.435 -4.511 7.022 276 HA ALA 38 HA ALA 38 0.348 -5.048 7.049 277 HB1 ALA 38 HB1 ALA 38 -1.878 -6.066 5.232 278 HB2 ALA 38 HB2 ALA 38 -1.449 -6.741 6.801 279 HB3 ALA 38 HB3 ALA 38 -0.308 -6.843 5.459 280 H ILE 39 H ILE 39 -1.801 -3.705 4.514 281 HA ILE 39 HA ILE 39 0.172 -3.604 2.477 282 HB ILE 39 HB ILE 39 -2.522 -2.277 2.889 283 HG12 ILE 39 HG13 ILE 39 -2.908 -3.061 0.470 284 HG13 ILE 39 HG12 ILE 39 -1.272 -3.712 0.475 285 HG21 ILE 39 HG21 ILE 39 -0.529 -1.101 0.922 286 HG22 ILE 39 HG22 ILE 39 -1.413 -0.229 2.172 287 HG23 ILE 39 HG23 ILE 39 -2.264 -0.843 0.763 288 HD11 ILE 39 HD11 ILE 39 -2.592 -5.577 1.013 289 HD12 ILE 39 HD12 ILE 39 -3.685 -4.636 2.013 290 HD13 ILE 39 HD13 ILE 39 -2.075 -5.051 2.618 291 H PHE 40 H PHE 40 -0.666 -0.970 4.780 292 HA PHE 40 HA PHE 40 1.225 0.853 3.595 293 HB2 PHE 40 HB3 PHE 40 0.429 2.411 5.081 294 HB3 PHE 40 HB2 PHE 40 -0.856 1.231 5.261 295 HD1 PHE 40 HD1 PHE 40 -0.946 -0.229 7.200 296 HD2 PHE 40 HD2 PHE 40 2.087 2.764 6.902 297 HE1 PHE 40 HE1 PHE 40 -0.439 -0.549 9.616 298 HE2 PHE 40 HE2 PHE 40 2.565 2.493 9.302 299 HZ PHE 40 HZ PHE 40 1.338 0.835 10.669 300 H THR 41 H THR 41 1.353 -1.459 6.200 301 HA THR 41 HA THR 41 3.773 -0.702 7.389 302 HB THR 41 HB THR 41 2.193 -3.287 7.210 303 HG1 THR 41 HG1 THR 41 2.026 -2.452 9.535 304 HG21 THR 41 HG21 THR 41 4.628 -2.679 8.927 305 HG22 THR 41 HG22 THR 41 4.422 -4.024 7.804 306 HG23 THR 41 HG23 THR 41 3.464 -3.947 9.276 307 H LYS 42 H LYS 42 3.157 -3.085 4.793 308 HA LYS 42 HA LYS 42 5.907 -3.874 4.492 309 HB2 LYS 42 HB3 LYS 42 3.414 -4.030 2.742 310 HB3 LYS 42 HB2 LYS 42 4.953 -4.762 2.251 311 HG2 LYS 42 HG3 LYS 42 4.939 -6.179 4.303 312 HG3 LYS 42 HG2 LYS 42 3.416 -5.446 4.817 313 HD2 LYS 42 HD3 LYS 42 2.287 -6.337 2.781 314 HD3 LYS 42 HD2 LYS 42 3.810 -7.051 2.237 315 HE2 LYS 42 HE3 LYS 42 2.386 -8.762 3.352 316 HE3 LYS 42 HE2 LYS 42 3.859 -8.488 4.285 317 HZ1 LYS 42 HZ1 LYS 42 1.839 -6.666 5.071 318 HZ2 LYS 42 HZ2 LYS 42 2.660 -7.824 6.004 319 HZ3 LYS 42 HZ3 LYS 42 1.249 -8.252 5.160 320 H TYR 43 H TYR 43 3.814 -1.639 2.561 321 HA TYR 43 HA TYR 43 5.970 -0.804 0.844 322 HB2 TYR 43 HB3 TYR 43 3.214 0.340 1.458 323 HB3 TYR 43 HB2 TYR 43 4.316 1.168 0.374 324 HD1 TYR 43 HD1 TYR 43 2.988 -2.344 0.913 325 HD2 TYR 43 HD2 TYR 43 4.031 0.693 -1.972 326 HE1 TYR 43 HE1 TYR 43 2.288 -3.818 -0.929 327 HE2 TYR 43 HE2 TYR 43 3.341 -0.826 -3.793 328 HH TYR 43 HH TYR 43 2.298 -2.691 -4.284 329 H ASP 44 H ASP 44 4.735 0.497 3.948 330 HA ASP 44 HA ASP 44 6.796 2.673 3.873 331 HB2 ASP 44 HB3 ASP 44 4.490 2.588 5.881 332 HB3 ASP 44 HB2 ASP 44 5.393 3.964 5.254 333 H GLN 45 H GLN 45 8.614 1.810 4.762 334 HA GLN 45 HA GLN 45 8.731 -0.358 6.529 335 HB2 GLN 45 HB3 GLN 45 10.770 1.901 6.244 336 HB3 GLN 45 HB2 GLN 45 11.105 0.277 6.858 337 HG2 GLN 45 HG3 GLN 45 10.155 0.926 4.016 338 HG3 GLN 45 HG2 GLN 45 11.805 0.533 4.465 339 HE21 GLN 45 HE21 GLN 45 8.527 -0.840 4.181 340 HE22 GLN 45 HE22 GLN 45 9.035 -2.459 4.156 341 H ASP 46 H ASP 46 9.017 3.211 7.505 342 HA ASP 46 HA ASP 46 8.589 2.387 10.334 343 HB2 ASP 46 HB3 ASP 46 10.649 3.661 9.726 344 HB3 ASP 46 HB2 ASP 46 9.651 4.965 9.094 345 H GLY 47 H GLY 47 6.822 3.473 7.699 346 HA2 GLY 47 HA3 GLY 47 4.882 4.740 7.421 347 HA3 GLY 47 HA2 GLY 47 4.408 3.902 8.861 348 H ASP 48 H ASP 48 6.992 6.234 8.748 349 HA ASP 48 HA ASP 48 5.448 8.115 10.503 350 HB2 ASP 48 HB3 ASP 48 7.396 6.884 11.499 351 HB3 ASP 48 HB2 ASP 48 8.454 7.615 10.299 352 H GLN 49 H GLN 49 7.065 7.768 7.458 353 HA GLN 49 HA GLN 49 6.895 10.715 6.952 354 HB2 GLN 49 HB3 GLN 49 9.045 10.388 5.527 355 HB3 GLN 49 HB2 GLN 49 9.250 10.364 7.272 356 HG2 GLN 49 HG3 GLN 49 10.562 8.544 6.336 357 HG3 GLN 49 HG2 GLN 49 9.225 7.835 7.213 358 HE21 GLN 49 HE21 GLN 49 7.451 6.866 5.888 359 HE22 GLN 49 HE22 GLN 49 7.761 6.414 4.282 360 H GLU 50 H GLU 50 7.521 10.864 4.361 361 HA GLU 50 HA GLU 50 5.176 9.885 3.068 362 HB2 GLU 50 HB3 GLU 50 7.584 11.413 1.978 363 HB3 GLU 50 HB2 GLU 50 6.059 11.167 1.118 364 HG2 GLU 50 HG3 GLU 50 6.362 12.686 3.761 365 HG3 GLU 50 HG2 GLU 50 6.180 13.435 2.179 366 H LEU 51 H LEU 51 5.092 8.420 1.337 367 HA LEU 51 HA LEU 51 7.142 6.298 1.440 368 HB2 LEU 51 HB3 LEU 51 4.793 5.625 1.561 369 HB3 LEU 51 HB2 LEU 51 4.409 6.559 0.134 370 HG LEU 51 HG LEU 51 5.799 5.016 -1.264 371 HD11 LEU 51 HD11 LEU 51 6.501 2.802 -0.136 372 HD12 LEU 51 HD12 LEU 51 6.322 3.654 1.396 373 HD13 LEU 51 HD13 LEU 51 7.483 4.214 0.200 374 HD21 LEU 51 HD21 LEU 51 3.705 3.585 0.394 375 HD22 LEU 51 HD22 LEU 51 4.298 3.072 -1.181 376 HD23 LEU 51 HD23 LEU 51 3.393 4.569 -1.031 377 H THR 52 H THR 52 8.735 6.246 0.057 378 HA THR 52 HA THR 52 8.934 7.924 -2.251 379 HB THR 52 HB THR 52 10.794 5.773 -1.136 380 HG1 THR 52 HG1 THR 52 11.829 7.711 -0.272 381 HG21 THR 52 HG21 THR 52 11.570 6.311 -3.370 382 HG22 THR 52 HG22 THR 52 12.553 7.255 -2.271 383 HG23 THR 52 HG23 THR 52 11.248 8.036 -3.153 384 H GLU 53 H GLU 53 9.803 7.073 -4.112 385 HA GLU 53 HA GLU 53 7.920 5.290 -5.373 386 HB2 GLU 53 HB3 GLU 53 10.392 6.660 -6.503 387 HB3 GLU 53 HB2 GLU 53 9.209 5.785 -7.479 388 HG2 GLU 53 HG3 GLU 53 8.592 8.245 -5.759 389 HG3 GLU 53 HG2 GLU 53 8.807 8.266 -7.504 390 H HIS 54 H HIS 54 11.418 5.175 -4.809 391 HA HIS 54 HA HIS 54 11.944 2.713 -6.004 392 HB2 HIS 54 HB3 HIS 54 13.738 4.191 -5.088 393 HB3 HIS 54 HB2 HIS 54 13.289 3.727 -3.448 394 HD2 HIS 54 HD2 HIS 54 14.563 1.408 -2.577 395 HE1 HIS 54 HE1 HIS 54 15.846 -0.010 -6.342 396 HE2 HIS 54 HE2 HIS 54 15.910 -0.440 -3.839 397 H GLU 55 H GLU 55 11.117 3.140 -2.446 398 HA GLU 55 HA GLU 55 10.918 0.406 -1.883 399 HB2 GLU 55 HB3 GLU 55 9.408 2.775 -0.668 400 HB3 GLU 55 HB2 GLU 55 9.551 1.177 0.078 401 HG2 GLU 55 HG3 GLU 55 12.028 1.434 0.182 402 HG3 GLU 55 HG2 GLU 55 11.908 3.013 -0.592 403 H HIS 56 H HIS 56 8.400 2.721 -2.991 404 HA HIS 56 HA HIS 56 6.249 0.881 -2.901 405 HB2 HIS 56 HB3 HIS 56 5.982 3.354 -2.987 406 HB3 HIS 56 HB2 HIS 56 6.513 3.362 -4.640 407 HD2 HIS 56 HD2 HIS 56 3.303 4.078 -3.500 408 HE1 HIS 56 HE1 HIS 56 2.358 0.801 -5.986 409 HE2 HIS 56 HE2 HIS 56 1.404 2.809 -4.762 410 H GLN 57 H GLN 57 8.162 2.011 -5.792 411 HA GLN 57 HA GLN 57 6.841 0.344 -7.634 412 HB2 GLN 57 HB3 GLN 57 9.491 1.782 -7.584 413 HB3 GLN 57 HB2 GLN 57 9.270 0.573 -8.836 414 HG2 GLN 57 HG3 GLN 57 8.610 2.958 -9.500 415 HG3 GLN 57 HG2 GLN 57 7.392 1.740 -9.795 416 HE21 GLN 57 HE21 GLN 57 8.110 3.398 -6.712 417 HE22 GLN 57 HE22 GLN 57 6.586 4.087 -6.533 418 H GLN 58 H GLN 58 9.614 -0.362 -5.500 419 HA GLN 58 HA GLN 58 10.250 -2.905 -6.632 420 HB2 GLN 58 HB3 GLN 58 11.712 -1.546 -5.049 421 HB3 GLN 58 HB2 GLN 58 10.637 -1.992 -3.730 422 HG2 GLN 58 HG3 GLN 58 12.551 -3.517 -3.693 423 HG3 GLN 58 HG2 GLN 58 11.158 -4.445 -4.229 424 HE21 GLN 58 HE21 GLN 58 14.076 -2.739 -5.463 425 HE22 GLN 58 HE22 GLN 58 14.207 -3.672 -6.875 426 H MET 59 H MET 59 8.336 -2.044 -3.669 427 HA MET 59 HA MET 59 7.443 -4.652 -3.190 428 HB2 MET 59 HB3 MET 59 7.344 -2.570 -1.644 429 HB3 MET 59 HB2 MET 59 5.901 -2.107 -2.493 430 HG2 MET 59 HG3 MET 59 5.299 -3.395 -0.460 431 HG3 MET 59 HG2 MET 59 4.798 -4.241 -1.915 432 HE1 MET 59 HE1 MET 59 8.455 -5.276 0.676 433 HE2 MET 59 HE2 MET 59 7.700 -3.701 0.481 434 HE3 MET 59 HE3 MET 59 8.684 -4.369 -0.828 435 H ARG 60 H ARG 60 6.131 -2.099 -5.161 436 HA ARG 60 HA ARG 60 3.570 -3.116 -5.694 437 HB2 ARG 60 HB3 ARG 60 4.443 -0.858 -6.385 438 HB3 ARG 60 HB2 ARG 60 5.377 -1.636 -7.662 439 HG2 ARG 60 HG3 ARG 60 3.200 -2.530 -8.598 440 HG3 ARG 60 HG2 ARG 60 2.347 -1.630 -7.347 441 HD2 ARG 60 HD3 ARG 60 2.323 -0.329 -9.399 442 HD3 ARG 60 HD2 ARG 60 3.408 0.469 -8.255 443 HE ARG 60 HE ARG 60 5.185 0.027 -9.684 444 HH11 ARG 60 HH21 ARG 60 2.494 -2.019 -10.520 445 HH12 ARG 60 HH22 ARG 60 3.253 -2.662 -11.938 446 HH21 ARG 60 HH11 ARG 60 6.159 -0.815 -11.550 447 HH22 ARG 60 HH12 ARG 60 5.322 -1.983 -12.517 448 H ASP 61 H ASP 61 6.662 -3.705 -7.584 449 HA ASP 61 HA ASP 61 5.571 -5.509 -9.434 450 HB2 ASP 61 HB3 ASP 61 7.813 -4.442 -9.617 451 HB3 ASP 61 HB2 ASP 61 8.384 -5.386 -8.247 452 H ASP 62 H ASP 62 6.765 -5.965 -6.146 453 HA ASP 62 HA ASP 62 6.759 -8.840 -6.106 454 HB2 ASP 62 HB3 ASP 62 6.447 -6.864 -3.782 455 HB3 ASP 62 HB2 ASP 62 6.778 -8.581 -3.620 456 H LEU 63 H LEU 63 4.365 -6.334 -5.351 457 HA LEU 63 HA LEU 63 2.342 -7.964 -4.276 458 HB2 LEU 63 HB3 LEU 63 2.522 -5.379 -4.422 459 HB3 LEU 63 HB2 LEU 63 1.800 -5.506 -6.006 460 HG LEU 63 HG LEU 63 -0.041 -7.012 -4.609 461 HD11 LEU 63 HD11 LEU 63 1.192 -6.726 -2.447 462 HD12 LEU 63 HD12 LEU 63 -0.457 -6.108 -2.387 463 HD13 LEU 63 HD13 LEU 63 0.891 -4.996 -2.545 464 HD21 LEU 63 HD21 LEU 63 -0.006 -3.975 -4.813 465 HD22 LEU 63 HD22 LEU 63 -1.441 -4.912 -4.388 466 HD23 LEU 63 HD23 LEU 63 -0.688 -5.113 -5.970 467 H GLU 64 H GLU 64 2.833 -6.874 -7.679 468 HA GLU 64 HA GLU 64 0.589 -8.207 -8.784 469 HB2 GLU 64 HB3 GLU 64 3.311 -7.657 -10.043 470 HB3 GLU 64 HB2 GLU 64 1.861 -8.086 -10.952 471 HG2 GLU 64 HG3 GLU 64 2.141 -5.593 -9.193 472 HG3 GLU 64 HG2 GLU 64 2.293 -5.604 -10.945 473 H LYS 65 H LYS 65 3.936 -9.485 -8.264 474 HA LYS 65 HA LYS 65 3.558 -12.014 -9.415 475 HB2 LYS 65 HB3 LYS 65 5.723 -10.950 -8.961 476 HB3 LYS 65 HB2 LYS 65 5.409 -10.961 -7.235 477 HG2 LYS 65 HG3 LYS 65 5.285 -13.663 -8.618 478 HG3 LYS 65 HG2 LYS 65 6.883 -12.933 -8.514 479 HD2 LYS 65 HD3 LYS 65 6.805 -12.829 -6.083 480 HD3 LYS 65 HD2 LYS 65 5.106 -13.264 -6.041 481 HE2 LYS 65 HE3 LYS 65 5.617 -15.490 -6.953 482 HE3 LYS 65 HE2 LYS 65 7.322 -15.069 -7.081 483 HZ1 LYS 65 HZ1 LYS 65 6.308 -14.591 -4.461 484 HZ2 LYS 65 HZ2 LYS 65 7.637 -15.530 -4.950 485 HZ3 LYS 65 HZ3 LYS 65 6.078 -16.206 -4.924 486 H GLU 66 H GLU 66 3.123 -10.872 -6.050 487 HA GLU 66 HA GLU 66 2.443 -13.446 -4.936 488 HB2 GLU 66 HB3 GLU 66 1.921 -10.604 -3.965 489 HB3 GLU 66 HB2 GLU 66 1.497 -12.030 -3.015 490 HG2 GLU 66 HG3 GLU 66 3.868 -12.739 -2.968 491 HG3 GLU 66 HG2 GLU 66 4.328 -11.375 -3.970 492 H ARG 67 H ARG 67 0.481 -10.724 -6.184 493 HA ARG 67 HA ARG 67 -2.080 -11.697 -5.574 494 HB2 ARG 67 HB3 ARG 67 -1.036 -9.921 -7.805 495 HB3 ARG 67 HB2 ARG 67 -2.755 -10.310 -7.727 496 HG2 ARG 67 HG3 ARG 67 -2.931 -9.302 -5.483 497 HG3 ARG 67 HG2 ARG 67 -1.202 -9.007 -5.439 498 HD2 ARG 67 HD3 ARG 67 -2.447 -6.932 -6.062 499 HD3 ARG 67 HD2 ARG 67 -1.395 -7.456 -7.381 500 HE ARG 67 HE ARG 67 -3.975 -8.619 -7.685 501 HH11 ARG 67 HH21 ARG 67 -2.356 -5.529 -7.965 502 HH12 ARG 67 HH22 ARG 67 -3.453 -4.937 -9.168 503 HH21 ARG 67 HH11 ARG 67 -5.369 -7.817 -9.247 504 HH22 ARG 67 HH12 ARG 67 -5.146 -6.224 -9.889 505 H GLU 68 H GLU 68 -0.040 -12.416 -8.440 506 HA GLU 68 HA GLU 68 -1.934 -13.986 -9.862 507 HB2 GLU 68 HB3 GLU 68 0.227 -13.097 -10.788 508 HB3 GLU 68 HB2 GLU 68 1.110 -14.285 -9.831 509 HG2 GLU 68 HG3 GLU 68 -0.079 -16.133 -11.049 510 HG3 GLU 68 HG2 GLU 68 -0.955 -14.934 -12.000 511 H ASP 69 H ASP 69 0.883 -15.217 -7.997 512 HA ASP 69 HA ASP 69 0.073 -17.888 -7.846 513 HB2 ASP 69 HB3 ASP 69 1.683 -16.370 -5.742 514 HB3 ASP 69 HB2 ASP 69 1.680 -18.117 -5.984 515 H LEU 70 H LEU 70 -0.724 -15.242 -5.572 516 HA LEU 70 HA LEU 70 -2.084 -16.784 -3.637 517 HB2 LEU 70 HB3 LEU 70 -1.263 -14.482 -3.225 518 HB3 LEU 70 HB2 LEU 70 -2.412 -13.863 -4.403 519 HG LEU 70 HG LEU 70 -4.312 -14.622 -2.923 520 HD11 LEU 70 HD11 LEU 70 -3.652 -15.198 -0.476 521 HD12 LEU 70 HD12 LEU 70 -2.055 -15.586 -1.113 522 HD13 LEU 70 HD13 LEU 70 -3.477 -16.470 -1.669 523 HD21 LEU 70 HD21 LEU 70 -2.278 -12.835 -1.517 524 HD22 LEU 70 HD22 LEU 70 -4.007 -12.902 -1.166 525 HD23 LEU 70 HD23 LEU 70 -3.453 -12.302 -2.726 526 H ASP 71 H ASP 71 -3.243 -15.200 -6.593 527 HA ASP 71 HA ASP 71 -6.030 -15.516 -6.184 528 HB2 ASP 71 HB3 ASP 71 -5.065 -14.046 -7.945 529 HB3 ASP 71 HB2 ASP 71 -4.476 -15.455 -8.818 530 H LEU 72 H LEU 72 -3.701 -17.570 -7.974 531 HA LEU 72 HA LEU 72 -5.518 -19.656 -8.617 532 HB2 LEU 72 HB3 LEU 72 -2.505 -19.593 -8.262 533 HB3 LEU 72 HB2 LEU 72 -3.356 -20.959 -8.988 534 HG LEU 72 HG LEU 72 -3.471 -18.105 -10.131 535 HD11 LEU 72 HD11 LEU 72 -1.144 -18.946 -10.242 536 HD12 LEU 72 HD12 LEU 72 -1.851 -18.884 -11.852 537 HD13 LEU 72 HD13 LEU 72 -1.701 -20.433 -11.016 538 HD21 LEU 72 HD21 LEU 72 -4.230 -19.341 -12.242 539 HD22 LEU 72 HD22 LEU 72 -5.380 -19.440 -10.931 540 HD23 LEU 72 HD23 LEU 72 -4.340 -20.817 -11.281 541 H ASP 73 H ASP 73 -3.245 -19.224 -5.906 542 HA ASP 73 HA ASP 73 -4.002 -21.734 -4.605 543 HB2 ASP 73 HB3 ASP 73 -2.334 -19.366 -3.617 544 HB3 ASP 73 HB2 ASP 73 -2.466 -20.932 -2.810 545 H HIS 74 H HIS 74 -6.294 -21.375 -4.456 546 HA HIS 74 HA HIS 74 -7.545 -19.181 -3.172 547 HB2 HIS 74 HB3 HIS 74 -8.451 -22.097 -3.360 548 HB3 HIS 74 HB2 HIS 74 -9.494 -20.738 -2.929 549 HD2 HIS 74 HD2 HIS 74 -8.180 -22.493 -6.100 550 HE1 HIS 74 HE1 HIS 74 -9.938 -18.870 -7.367 551 HE2 HIS 74 HE2 HIS 74 -8.969 -21.082 -8.151 552 H SER 75 H SER 75 -6.432 -22.309 -1.930 553 HA SER 75 HA SER 75 -6.134 -23.127 0.188 554 HB2 SER 75 HB3 SER 75 -4.329 -21.428 0.111 555 HB3 SER 75 HB2 SER 75 -5.439 -20.217 0.745 556 HG SER 75 HG SER 75 -5.127 -22.657 2.101 557 H SER 76 H SER 76 -6.590 -22.215 2.712 558 HA SER 76 HA SER 76 -9.173 -20.931 3.018 559 HB2 SER 76 HB3 SER 76 -8.955 -23.929 3.515 560 HB3 SER 76 HB2 SER 76 -10.338 -22.928 3.955 561 HG SER 76 HG SER 76 -10.630 -22.476 1.762 562 H LEU 77 H LEU 77 -6.212 -22.110 4.143 563 HA LEU 77 HA LEU 77 -6.650 -22.253 6.925 564 HB2 LEU 77 HB3 LEU 77 -4.071 -21.599 5.451 565 HB3 LEU 77 HB2 LEU 77 -4.188 -22.216 7.102 566 HG LEU 77 HG LEU 77 -5.015 -23.708 4.542 567 HD11 LEU 77 HD11 LEU 77 -3.122 -25.221 5.106 568 HD12 LEU 77 HD12 LEU 77 -2.731 -24.222 6.507 569 HD13 LEU 77 HD13 LEU 77 -2.555 -23.567 4.877 570 HD21 LEU 77 HD21 LEU 77 -6.530 -24.559 6.178 571 HD22 LEU 77 HD22 LEU 77 -5.345 -24.476 7.483 572 HD23 LEU 77 HD23 LEU 77 -5.211 -25.715 6.236 573 HA PRO 78 HA PRO 78 -7.076 -17.922 8.279 574 HB2 PRO 78 HB3 PRO 78 -4.803 -18.672 10.186 575 HB3 PRO 78 HB2 PRO 78 -6.253 -17.687 10.527 576 HG2 PRO 78 HG3 PRO 78 -6.250 -20.222 11.265 577 HG3 PRO 78 HG2 PRO 78 -7.691 -19.574 10.439 578 HD2 PRO 78 HD2 PRO 78 -5.528 -21.382 9.283 579 HD3 PRO 78 HD3 PRO 78 -7.282 -21.361 8.970 Start of MODEL 3 1 H1 ASN 1 1H ASN 1 -21.818 -2.173 -11.015 2 H2 ASN 1 2H ASN 1 -20.959 -2.626 -12.410 3 H3 ASN 1 3H ASN 1 -20.249 -1.582 -11.272 4 HA ASN 1 HA ASN 1 -20.478 -3.445 -9.607 5 HB2 ASN 1 HB3 ASN 1 -20.860 -4.983 -12.224 6 HB3 ASN 1 HB2 ASN 1 -20.621 -5.720 -10.639 7 HD21 ASN 1 HD21 ASN 1 -23.055 -5.159 -12.767 8 HD22 ASN 1 HD22 ASN 1 -24.346 -4.912 -11.693 9 H THR 2 H THR 2 -19.135 -3.626 -12.921 10 HA THR 2 HA THR 2 -16.561 -4.596 -12.175 11 HB THR 2 HB THR 2 -15.909 -4.000 -14.489 12 HG1 THR 2 HG1 THR 2 -16.775 -2.189 -15.099 13 HG21 THR 2 HG21 THR 2 -18.788 -5.017 -14.393 14 HG22 THR 2 HG22 THR 2 -17.359 -6.027 -14.161 15 HG23 THR 2 HG23 THR 2 -17.651 -5.252 -15.719 16 H VAL 3 H VAL 3 -17.938 -1.354 -12.472 17 HA VAL 3 HA VAL 3 -15.463 0.104 -12.363 18 HB VAL 3 HB VAL 3 -18.266 1.062 -11.558 19 HG11 VAL 3 HG11 VAL 3 -15.787 2.605 -12.491 20 HG12 VAL 3 HG12 VAL 3 -16.440 2.615 -10.854 21 HG13 VAL 3 HG13 VAL 3 -17.368 3.322 -12.171 22 HG21 VAL 3 HG21 VAL 3 -18.445 1.864 -13.926 23 HG22 VAL 3 HG22 VAL 3 -18.295 0.111 -13.858 24 HG23 VAL 3 HG23 VAL 3 -16.899 1.097 -14.300 25 H ASP 4 H ASP 4 -14.333 -0.967 -10.641 26 HA ASP 4 HA ASP 4 -14.651 0.292 -8.069 27 HB2 ASP 4 HB3 ASP 4 -16.398 -1.501 -7.911 28 HB3 ASP 4 HB2 ASP 4 -15.169 -2.722 -8.218 29 H ASP 5 H ASP 5 -12.536 0.901 -8.799 30 HA ASP 5 HA ASP 5 -10.409 -1.006 -9.194 31 HB2 ASP 5 HB3 ASP 5 -8.955 1.018 -9.072 32 HB3 ASP 5 HB2 ASP 5 -10.314 1.271 -10.161 33 H ILE 6 H ILE 6 -8.630 -1.334 -7.734 34 HA ILE 6 HA ILE 6 -9.051 -0.732 -4.851 35 HB ILE 6 HB ILE 6 -10.088 -2.946 -5.284 36 HG12 ILE 6 HG13 ILE 6 -7.434 -3.303 -3.783 37 HG13 ILE 6 HG12 ILE 6 -8.840 -2.494 -3.109 38 HG21 ILE 6 HG21 ILE 6 -8.733 -3.579 -7.295 39 HG22 ILE 6 HG22 ILE 6 -8.781 -4.871 -6.101 40 HG23 ILE 6 HG23 ILE 6 -7.340 -3.872 -6.253 41 HD11 ILE 6 HD11 ILE 6 -10.166 -4.570 -3.345 42 HD12 ILE 6 HD12 ILE 6 -8.734 -4.831 -2.349 43 HD13 ILE 6 HD13 ILE 6 -8.757 -5.392 -4.017 44 H SER 7 H SER 7 -6.929 -1.868 -7.430 45 HA SER 7 HA SER 7 -4.492 -1.718 -5.865 46 HB2 SER 7 HB3 SER 7 -4.962 -1.962 -8.862 47 HB3 SER 7 HB2 SER 7 -3.404 -2.170 -8.061 48 HG SER 7 HG SER 7 -4.269 -3.920 -6.946 49 H GLU 8 H GLU 8 -6.506 0.673 -7.131 50 HA GLU 8 HA GLU 8 -4.566 2.507 -8.214 51 HB2 GLU 8 HB3 GLU 8 -7.029 2.549 -8.726 52 HB3 GLU 8 HB2 GLU 8 -7.346 3.100 -7.085 53 HG2 GLU 8 HG3 GLU 8 -5.958 5.145 -7.521 54 HG3 GLU 8 HG2 GLU 8 -5.646 4.581 -9.158 55 H SER 9 H SER 9 -6.056 2.042 -5.002 56 HA SER 9 HA SER 9 -5.094 4.362 -3.721 57 HB2 SER 9 HB3 SER 9 -6.802 2.872 -2.748 58 HB3 SER 9 HB2 SER 9 -5.615 1.588 -2.592 59 HG SER 9 HG SER 9 -4.677 2.631 -0.968 60 H LEU 10 H LEU 10 -3.707 1.061 -3.768 61 HA LEU 10 HA LEU 10 -1.354 1.604 -2.323 62 HB2 LEU 10 HB3 LEU 10 -1.651 -0.467 -4.567 63 HB3 LEU 10 HB2 LEU 10 -0.627 -0.571 -3.129 64 HG LEU 10 HG LEU 10 -3.699 -0.696 -3.206 65 HD11 LEU 10 HD11 LEU 10 -2.573 -2.751 -3.936 66 HD12 LEU 10 HD12 LEU 10 -3.391 -3.001 -2.396 67 HD13 LEU 10 HD13 LEU 10 -1.639 -2.792 -2.436 68 HD21 LEU 10 HD21 LEU 10 -3.140 0.462 -1.158 69 HD22 LEU 10 HD22 LEU 10 -1.806 -0.645 -0.837 70 HD23 LEU 10 HD23 LEU 10 -3.476 -1.202 -0.725 71 H ARG 11 H ARG 11 -2.015 1.656 -5.831 72 HA ARG 11 HA ARG 11 0.658 2.189 -6.638 73 HB2 ARG 11 HB3 ARG 11 -1.121 1.284 -8.142 74 HB3 ARG 11 HB2 ARG 11 -1.926 2.852 -8.114 75 HG2 ARG 11 HG3 ARG 11 0.107 3.915 -9.129 76 HG3 ARG 11 HG2 ARG 11 0.921 2.350 -9.133 77 HD2 ARG 11 HD3 ARG 11 0.016 2.825 -11.371 78 HD3 ARG 11 HD2 ARG 11 -0.867 1.468 -10.660 79 HE ARG 11 HE ARG 11 -2.204 3.887 -10.015 80 HH11 ARG 11 HH21 ARG 11 -1.515 1.853 -12.755 81 HH12 ARG 11 HH22 ARG 11 -2.949 2.306 -13.615 82 HH21 ARG 11 HH11 ARG 11 -4.072 4.470 -11.151 83 HH22 ARG 11 HH12 ARG 11 -4.391 3.783 -12.708 84 H GLN 12 H GLN 12 -2.183 4.311 -6.372 85 HA GLN 12 HA GLN 12 -2.477 6.554 -6.195 86 HB2 GLN 12 HB3 GLN 12 -1.408 5.975 -3.988 87 HB3 GLN 12 HB2 GLN 12 0.144 6.485 -4.633 88 HG2 GLN 12 HG3 GLN 12 -0.675 8.450 -3.463 89 HG3 GLN 12 HG2 GLN 12 -1.020 8.799 -5.141 90 HE21 GLN 12 HE21 GLN 12 -2.541 7.618 -2.128 91 HE22 GLN 12 HE22 GLN 12 -4.117 8.077 -2.562 92 H GLY 13 H GLY 13 1.084 6.636 -6.292 93 HA2 GLY 13 HA3 GLY 13 2.582 7.436 -7.841 94 HA3 GLY 13 HA2 GLY 13 1.292 7.519 -9.039 95 H GLY 14 H GLY 14 0.650 9.011 -6.029 96 HA2 GLY 14 HA3 GLY 14 0.415 11.658 -7.162 97 HA3 GLY 14 HA2 GLY 14 0.145 11.195 -5.486 98 H GLY 15 H GLY 15 2.879 9.877 -5.491 99 HA2 GLY 15 HA3 GLY 15 5.176 10.535 -5.503 100 HA3 GLY 15 HA2 GLY 15 4.711 12.229 -5.459 101 H LYS 16 H LYS 16 2.678 11.793 -3.371 102 HA LYS 16 HA LYS 16 4.421 11.323 -0.969 103 HB2 LYS 16 HB3 LYS 16 2.090 13.264 -1.271 104 HB3 LYS 16 HB2 LYS 16 3.083 13.043 0.182 105 HG2 LYS 16 HG3 LYS 16 5.122 13.717 -1.222 106 HG3 LYS 16 HG2 LYS 16 4.003 14.135 -2.525 107 HD2 LYS 16 HD3 LYS 16 4.079 15.399 0.268 108 HD3 LYS 16 HD2 LYS 16 4.605 16.159 -1.233 109 HE2 LYS 16 HE3 LYS 16 2.163 15.823 -2.078 110 HE3 LYS 16 HE2 LYS 16 1.756 15.495 -0.388 111 HZ1 LYS 16 HZ1 LYS 16 3.117 17.682 -0.024 112 HZ2 LYS 16 HZ2 LYS 16 1.476 17.738 -0.465 113 HZ3 LYS 16 HZ3 LYS 16 2.684 17.980 -1.636 114 H LEU 17 H LEU 17 3.745 9.722 0.264 115 HA LEU 17 HA LEU 17 0.893 9.148 0.657 116 HB2 LEU 17 HB3 LEU 17 1.659 7.891 -1.437 117 HB3 LEU 17 HB2 LEU 17 2.749 6.980 -0.415 118 HG LEU 17 HG LEU 17 0.441 6.565 1.008 119 HD11 LEU 17 HD11 LEU 17 -0.884 7.988 -0.611 120 HD12 LEU 17 HD12 LEU 17 -1.534 6.402 -0.282 121 HD13 LEU 17 HD13 LEU 17 -0.677 6.692 -1.776 122 HD21 LEU 17 HD21 LEU 17 1.811 4.724 0.239 123 HD22 LEU 17 HD22 LEU 17 1.320 4.978 -1.434 124 HD23 LEU 17 HD23 LEU 17 0.163 4.382 -0.260 125 H ASN 18 H ASN 18 0.527 8.277 2.608 126 HA ASN 18 HA ASN 18 2.553 6.931 4.198 127 HB2 ASN 18 HB3 ASN 18 2.412 8.614 6.046 128 HB3 ASN 18 HB2 ASN 18 3.140 9.302 4.604 129 HD21 ASN 18 HD21 ASN 18 2.156 11.204 3.778 130 HD22 ASN 18 HD22 ASN 18 0.648 11.791 4.290 131 H PHE 19 H PHE 19 1.627 6.234 6.195 132 HA PHE 19 HA PHE 19 -0.442 4.636 6.226 133 HB2 PHE 19 HB3 PHE 19 -0.833 5.113 8.699 134 HB3 PHE 19 HB2 PHE 19 0.852 4.851 8.250 135 HD1 PHE 19 HD1 PHE 19 2.425 6.785 7.946 136 HD2 PHE 19 HD2 PHE 19 -1.584 7.398 9.431 137 HE1 PHE 19 HE1 PHE 19 3.058 9.052 8.726 138 HE2 PHE 19 HE2 PHE 19 -0.938 9.673 10.204 139 HZ PHE 19 HZ PHE 19 1.380 10.499 9.854 140 H ASP 20 H ASP 20 -0.963 8.120 6.718 141 HA ASP 20 HA ASP 20 -3.790 7.920 7.197 142 HB2 ASP 20 HB3 ASP 20 -2.323 9.786 8.006 143 HB3 ASP 20 HB2 ASP 20 -2.217 10.384 6.358 144 H GLU 21 H GLU 21 -1.853 8.935 4.441 145 HA GLU 21 HA GLU 21 -3.925 9.656 2.696 146 HB2 GLU 21 HB3 GLU 21 -1.195 8.568 1.942 147 HB3 GLU 21 HB2 GLU 21 -2.241 9.486 0.858 148 HG2 GLU 21 HG3 GLU 21 -1.104 10.562 3.487 149 HG3 GLU 21 HG2 GLU 21 -0.422 10.886 1.899 150 H LEU 22 H LEU 22 -2.326 6.596 2.991 151 HA LEU 22 HA LEU 22 -3.943 5.334 0.866 152 HB2 LEU 22 HB3 LEU 22 -2.808 3.229 1.570 153 HB3 LEU 22 HB2 LEU 22 -1.718 4.521 1.155 154 HG LEU 22 HG LEU 22 -1.964 4.968 3.930 155 HD11 LEU 22 HD11 LEU 22 -2.069 3.065 5.163 156 HD12 LEU 22 HD12 LEU 22 -1.586 2.003 3.837 157 HD13 LEU 22 HD13 LEU 22 -3.220 2.630 3.916 158 HD21 LEU 22 HD21 LEU 22 0.147 5.051 2.724 159 HD22 LEU 22 HD22 LEU 22 0.157 3.315 2.510 160 HD23 LEU 22 HD23 LEU 22 0.318 4.019 4.094 161 H ARG 23 H ARG 23 -3.746 5.027 4.432 162 HA ARG 23 HA ARG 23 -5.686 2.971 4.619 163 HB2 ARG 23 HB3 ARG 23 -5.806 3.287 7.007 164 HB3 ARG 23 HB2 ARG 23 -4.157 3.615 6.504 165 HG2 ARG 23 HG3 ARG 23 -4.449 5.494 7.893 166 HG3 ARG 23 HG2 ARG 23 -5.119 6.174 6.411 167 HD2 ARG 23 HD3 ARG 23 -7.425 5.247 7.355 168 HD3 ARG 23 HD2 ARG 23 -6.563 5.225 8.893 169 HE ARG 23 HE ARG 23 -6.133 7.739 7.658 170 HH11 ARG 23 HH21 ARG 23 -8.667 5.848 9.071 171 HH12 ARG 23 HH22 ARG 23 -9.587 7.216 9.599 172 HH21 ARG 23 HH11 ARG 23 -7.341 9.541 8.332 173 HH22 ARG 23 HH12 ARG 23 -8.834 9.309 9.181 174 H GLN 24 H GLN 24 -6.203 6.464 4.910 175 HA GLN 24 HA GLN 24 -8.879 6.505 5.546 176 HB2 GLN 24 HB3 GLN 24 -8.871 8.788 4.778 177 HB3 GLN 24 HB2 GLN 24 -7.295 8.425 5.487 178 HG2 GLN 24 HG3 GLN 24 -6.440 8.001 3.117 179 HG3 GLN 24 HG2 GLN 24 -7.961 8.588 2.495 180 HE21 GLN 24 HE21 GLN 24 -7.303 10.326 5.284 181 HE22 GLN 24 HE22 GLN 24 -6.566 11.654 4.572 182 H ASP 25 H ASP 25 -7.371 5.969 2.356 183 HA ASP 25 HA ASP 25 -9.729 6.287 0.802 184 HB2 ASP 25 HB3 ASP 25 -7.347 6.715 0.063 185 HB3 ASP 25 HB2 ASP 25 -7.031 4.988 0.165 186 H LEU 26 H LEU 26 -7.739 3.563 1.966 187 HA LEU 26 HA LEU 26 -9.183 1.447 0.727 188 HB2 LEU 26 HB3 LEU 26 -7.485 1.441 3.242 189 HB3 LEU 26 HB2 LEU 26 -8.006 -0.024 2.404 190 HG LEU 26 HG LEU 26 -6.240 2.132 1.187 191 HD11 LEU 26 HD11 LEU 26 -5.078 0.867 2.977 192 HD12 LEU 26 HD12 LEU 26 -4.412 0.550 1.387 193 HD13 LEU 26 HD13 LEU 26 -5.468 -0.641 2.138 194 HD21 LEU 26 HD21 LEU 26 -7.388 -0.392 -0.006 195 HD22 LEU 26 HD22 LEU 26 -5.819 0.178 -0.552 196 HD23 LEU 26 HD23 LEU 26 -7.230 1.206 -0.711 197 H LYS 27 H LYS 27 -9.736 3.144 3.681 198 HA LYS 27 HA LYS 27 -11.494 1.359 5.004 199 HB2 LYS 27 HB3 LYS 27 -10.543 3.417 6.015 200 HB3 LYS 27 HB2 LYS 27 -11.522 4.400 4.927 201 HG2 LYS 27 HG3 LYS 27 -13.603 3.599 5.970 202 HG3 LYS 27 HG2 LYS 27 -12.720 2.408 6.928 203 HD2 LYS 27 HD3 LYS 27 -13.337 4.378 8.312 204 HD3 LYS 27 HD2 LYS 27 -11.586 4.229 8.188 205 HE2 LYS 27 HE3 LYS 27 -11.434 6.114 6.668 206 HE3 LYS 27 HE2 LYS 27 -13.173 6.069 6.326 207 HZ1 LYS 27 HZ1 LYS 27 -11.926 7.579 8.242 208 HZ2 LYS 27 HZ2 LYS 27 -12.659 6.320 9.117 209 HZ3 LYS 27 HZ3 LYS 27 -13.595 7.306 8.098 210 H GLY 28 H GLY 28 -12.114 3.904 2.583 211 HA2 GLY 28 HA3 GLY 28 -14.931 3.617 2.359 212 HA3 GLY 28 HA2 GLY 28 -13.870 4.279 1.119 213 H LYS 29 H LYS 29 -12.248 1.907 0.785 214 HA LYS 29 HA LYS 29 -13.810 0.475 -1.149 215 HB2 LYS 29 HB3 LYS 29 -11.073 -0.269 -0.009 216 HB3 LYS 29 HB2 LYS 29 -11.751 -0.778 -1.552 217 HG2 LYS 29 HG3 LYS 29 -11.082 2.110 -0.869 218 HG3 LYS 29 HG2 LYS 29 -10.015 1.042 -1.765 219 HD2 LYS 29 HD3 LYS 29 -11.772 0.781 -3.523 220 HD3 LYS 29 HD2 LYS 29 -12.812 1.895 -2.652 221 HE2 LYS 29 HE3 LYS 29 -11.156 3.705 -2.921 222 HE3 LYS 29 HE2 LYS 29 -10.083 2.596 -3.788 223 HZ1 LYS 29 HZ1 LYS 29 -12.012 4.111 -4.928 224 HZ2 LYS 29 HZ2 LYS 29 -12.777 2.601 -4.779 225 HZ3 LYS 29 HZ3 LYS 29 -11.311 2.732 -5.624 226 H GLY 30 H GLY 30 -14.013 0.281 2.028 227 HA2 GLY 30 HA3 GLY 30 -15.058 -1.183 3.458 228 HA3 GLY 30 HA2 GLY 30 -15.414 -2.200 2.067 229 H HIS 31 H HIS 31 -12.019 -1.380 2.683 230 HA HIS 31 HA HIS 31 -11.303 -4.131 2.944 231 HB2 HIS 31 HB3 HIS 31 -9.797 -1.508 3.296 232 HB3 HIS 31 HB2 HIS 31 -9.021 -3.083 3.473 233 HD2 HIS 31 HD2 HIS 31 -7.527 -2.697 1.090 234 HE1 HIS 31 HE1 HIS 31 -10.888 -3.015 -1.433 235 HE2 HIS 31 HE2 HIS 31 -8.335 -3.024 -1.361 236 H THR 32 H THR 32 -10.041 -4.950 4.714 237 HA THR 32 HA THR 32 -11.447 -4.453 7.293 238 HB THR 32 HB THR 32 -10.638 -6.673 7.939 239 HG1 THR 32 HG1 THR 32 -8.626 -6.415 6.788 240 HG21 THR 32 HG21 THR 32 -12.684 -6.544 6.472 241 HG22 THR 32 HG22 THR 32 -11.777 -8.035 6.219 242 HG23 THR 32 HG23 THR 32 -11.645 -6.722 5.055 243 H ASP 33 H ASP 33 -10.174 -4.601 9.274 244 HA ASP 33 HA ASP 33 -8.100 -2.651 9.318 245 HB2 ASP 33 HB3 ASP 33 -8.900 -4.721 11.410 246 HB3 ASP 33 HB2 ASP 33 -7.853 -3.333 11.715 247 H ALA 34 H ALA 34 -8.080 -6.207 9.371 248 HA ALA 34 HA ALA 34 -5.310 -6.584 9.824 249 HB1 ALA 34 HB1 ALA 34 -5.650 -8.832 8.809 250 HB2 ALA 34 HB2 ALA 34 -7.214 -8.309 8.175 251 HB3 ALA 34 HB3 ALA 34 -6.968 -8.431 9.915 252 H GLU 35 H GLU 35 -7.096 -6.314 6.604 253 HA GLU 35 HA GLU 35 -4.731 -6.476 5.070 254 HB2 GLU 35 HB3 GLU 35 -7.449 -5.226 4.495 255 HB3 GLU 35 HB2 GLU 35 -6.216 -5.510 3.259 256 HG2 GLU 35 HG3 GLU 35 -6.298 -7.952 3.721 257 HG3 GLU 35 HG2 GLU 35 -7.495 -7.690 4.979 258 H ILE 36 H ILE 36 -6.627 -3.695 6.147 259 HA ILE 36 HA ILE 36 -5.191 -1.675 4.871 260 HB ILE 36 HB ILE 36 -6.642 -1.568 7.541 261 HG12 ILE 36 HG13 ILE 36 -7.565 -0.467 4.832 262 HG13 ILE 36 HG12 ILE 36 -7.908 -2.098 5.324 263 HG21 ILE 36 HG21 ILE 36 -5.168 0.405 7.580 264 HG22 ILE 36 HG22 ILE 36 -6.766 0.982 7.141 265 HG23 ILE 36 HG23 ILE 36 -5.537 0.779 5.894 266 HD11 ILE 36 HD11 ILE 36 -8.738 0.357 6.887 267 HD12 ILE 36 HD12 ILE 36 -9.139 -1.323 7.277 268 HD13 ILE 36 HD13 ILE 36 -9.789 -0.573 5.817 269 H GLU 37 H GLU 37 -4.668 -2.859 8.260 270 HA GLU 37 HA GLU 37 -2.516 -1.270 8.859 271 HB2 GLU 37 HB3 GLU 37 -2.204 -2.606 10.801 272 HB3 GLU 37 HB2 GLU 37 -3.929 -2.466 10.479 273 HG2 GLU 37 HG3 GLU 37 -3.792 -4.777 10.899 274 HG3 GLU 37 HG2 GLU 37 -3.544 -4.739 9.173 275 H ALA 38 H ALA 38 -2.708 -4.486 7.409 276 HA ALA 38 HA ALA 38 0.050 -5.166 7.486 277 HB1 ALA 38 HB1 ALA 38 -0.621 -6.856 5.755 278 HB2 ALA 38 HB2 ALA 38 -2.185 -6.047 5.612 279 HB3 ALA 38 HB3 ALA 38 -1.734 -6.830 7.120 280 H ILE 39 H ILE 39 -1.991 -3.714 4.949 281 HA ILE 39 HA ILE 39 0.001 -3.616 2.928 282 HB ILE 39 HB ILE 39 -2.641 -2.216 3.381 283 HG12 ILE 39 HG13 ILE 39 -3.072 -2.912 0.957 284 HG13 ILE 39 HG12 ILE 39 -1.459 -3.609 0.911 285 HG21 ILE 39 HG21 ILE 39 -0.688 -1.051 1.338 286 HG22 ILE 39 HG22 ILE 39 -1.370 -0.201 2.731 287 HG23 ILE 39 HG23 ILE 39 -2.401 -0.688 1.437 288 HD11 ILE 39 HD11 ILE 39 -2.256 -5.019 2.991 289 HD12 ILE 39 HD12 ILE 39 -2.867 -5.441 1.388 290 HD13 ILE 39 HD13 ILE 39 -3.869 -4.504 2.481 291 H PHE 40 H PHE 40 -0.848 -1.067 5.281 292 HA PHE 40 HA PHE 40 1.092 0.774 4.233 293 HB2 PHE 40 HB3 PHE 40 0.216 2.291 5.717 294 HB3 PHE 40 HB2 PHE 40 -1.035 1.087 5.928 295 HD1 PHE 40 HD1 PHE 40 2.027 2.568 7.432 296 HD2 PHE 40 HD2 PHE 40 -1.129 -0.237 7.884 297 HE1 PHE 40 HE1 PHE 40 2.630 2.260 9.798 298 HE2 PHE 40 HE2 PHE 40 -0.583 -0.595 10.252 299 HZ PHE 40 HZ PHE 40 1.353 0.668 11.233 300 H THR 41 H THR 41 1.037 -1.641 6.837 301 HA THR 41 HA THR 41 3.481 -0.943 8.036 302 HB THR 41 HB THR 41 1.888 -3.507 7.798 303 HG1 THR 41 HG1 THR 41 1.338 -2.922 9.888 304 HG21 THR 41 HG21 THR 41 4.407 -3.007 9.410 305 HG22 THR 41 HG22 THR 41 4.086 -4.336 8.293 306 HG23 THR 41 HG23 THR 41 3.223 -4.239 9.822 307 H LYS 42 H LYS 42 2.825 -3.265 5.404 308 HA LYS 42 HA LYS 42 5.563 -4.081 5.077 309 HB2 LYS 42 HB3 LYS 42 3.057 -4.220 3.351 310 HB3 LYS 42 HB2 LYS 42 4.589 -4.956 2.845 311 HG2 LYS 42 HG3 LYS 42 4.590 -6.367 4.905 312 HG3 LYS 42 HG2 LYS 42 3.066 -5.641 5.412 313 HD2 LYS 42 HD3 LYS 42 1.949 -6.539 3.367 314 HD3 LYS 42 HD2 LYS 42 3.479 -7.253 2.842 315 HE2 LYS 42 HE3 LYS 42 2.046 -8.957 3.961 316 HE3 LYS 42 HE2 LYS 42 3.518 -8.674 4.896 317 HZ1 LYS 42 HZ1 LYS 42 0.980 -8.512 5.846 318 HZ2 LYS 42 HZ2 LYS 42 1.383 -6.883 5.581 319 HZ3 LYS 42 HZ3 LYS 42 2.355 -7.848 6.586 320 H TYR 43 H TYR 43 3.444 -1.848 3.184 321 HA TYR 43 HA TYR 43 5.569 -1.088 1.450 322 HB2 TYR 43 HB3 TYR 43 2.866 0.138 2.022 323 HB3 TYR 43 HB2 TYR 43 4.011 1.000 0.997 324 HD1 TYR 43 HD1 TYR 43 2.761 -2.567 1.364 325 HD2 TYR 43 HD2 TYR 43 3.641 0.684 -1.357 326 HE1 TYR 43 HE1 TYR 43 2.037 -3.935 -0.550 327 HE2 TYR 43 HE2 TYR 43 2.907 -0.731 -3.246 328 HH TYR 43 HH TYR 43 1.444 -2.633 -3.614 329 H ASP 44 H ASP 44 4.464 0.235 4.528 330 HA ASP 44 HA ASP 44 6.589 2.337 4.402 331 HB2 ASP 44 HB3 ASP 44 4.318 2.454 6.417 332 HB3 ASP 44 HB2 ASP 44 5.183 3.752 5.616 333 H GLN 45 H GLN 45 8.348 1.424 5.299 334 HA GLN 45 HA GLN 45 8.397 -0.637 7.205 335 HB2 GLN 45 HB3 GLN 45 10.481 1.549 6.737 336 HB3 GLN 45 HB2 GLN 45 10.793 -0.001 7.530 337 HG2 GLN 45 HG3 GLN 45 9.869 0.337 4.627 338 HG3 GLN 45 HG2 GLN 45 11.518 -0.009 5.130 339 HE21 GLN 45 HE21 GLN 45 8.259 -1.395 4.871 340 HE22 GLN 45 HE22 GLN 45 8.743 -3.005 5.099 341 H ASP 46 H ASP 46 8.846 2.968 7.888 342 HA ASP 46 HA ASP 46 8.370 2.413 10.773 343 HB2 ASP 46 HB3 ASP 46 9.533 4.819 9.296 344 HB3 ASP 46 HB2 ASP 46 9.452 4.625 11.050 345 H GLY 47 H GLY 47 6.637 3.353 8.034 346 HA2 GLY 47 HA3 GLY 47 4.681 4.602 7.698 347 HA3 GLY 47 HA2 GLY 47 4.268 4.065 9.303 348 H ASP 48 H ASP 48 7.064 6.076 8.767 349 HA ASP 48 HA ASP 48 5.730 8.435 10.069 350 HB2 ASP 48 HB3 ASP 48 8.618 7.462 10.228 351 HB3 ASP 48 HB2 ASP 48 7.979 8.897 11.036 352 H GLN 49 H GLN 49 7.510 7.321 7.306 353 HA GLN 49 HA GLN 49 7.934 10.125 6.319 354 HB2 GLN 49 HB3 GLN 49 9.825 8.972 4.903 355 HB3 GLN 49 HB2 GLN 49 10.143 9.252 6.613 356 HG2 GLN 49 HG3 GLN 49 10.863 6.972 5.932 357 HG3 GLN 49 HG2 GLN 49 9.590 6.889 7.144 358 HE21 GLN 49 HE21 GLN 49 8.278 5.123 6.607 359 HE22 GLN 49 HE22 GLN 49 7.743 4.749 5.040 360 H GLU 50 H GLU 50 7.924 10.337 3.945 361 HA GLU 50 HA GLU 50 5.594 9.175 2.785 362 HB2 GLU 50 HB3 GLU 50 6.151 10.672 0.872 363 HB3 GLU 50 HB2 GLU 50 6.115 11.545 2.408 364 HG2 GLU 50 HG3 GLU 50 8.605 11.439 2.544 365 HG3 GLU 50 HG2 GLU 50 8.662 10.549 1.028 366 H LEU 51 H LEU 51 5.549 7.872 0.954 367 HA LEU 51 HA LEU 51 7.885 6.097 0.629 368 HB2 LEU 51 HB3 LEU 51 4.945 5.917 -0.078 369 HB3 LEU 51 HB2 LEU 51 6.055 4.834 -0.898 370 HG LEU 51 HG LEU 51 4.972 3.847 1.172 371 HD11 LEU 51 HD11 LEU 51 7.401 3.176 2.194 372 HD12 LEU 51 HD12 LEU 51 7.952 3.865 0.688 373 HD13 LEU 51 HD13 LEU 51 6.792 2.571 0.663 374 HD21 LEU 51 HD21 LEU 51 5.067 6.036 2.533 375 HD22 LEU 51 HD22 LEU 51 6.778 5.703 2.804 376 HD23 LEU 51 HD23 LEU 51 5.562 4.583 3.381 377 H THR 52 H THR 52 9.286 6.473 -0.789 378 HA THR 52 HA THR 52 8.980 8.192 -3.052 379 HB THR 52 HB THR 52 11.080 8.183 -1.759 380 HG1 THR 52 HG1 THR 52 12.461 7.482 -3.650 381 HG21 THR 52 HG21 THR 52 11.067 5.791 -1.021 382 HG22 THR 52 HG22 THR 52 12.601 6.234 -1.773 383 HG23 THR 52 HG23 THR 52 11.422 5.293 -2.675 384 H GLU 53 H GLU 53 10.229 7.263 -4.931 385 HA GLU 53 HA GLU 53 8.355 5.563 -6.248 386 HB2 GLU 53 HB3 GLU 53 11.125 6.436 -7.184 387 HB3 GLU 53 HB2 GLU 53 9.895 5.681 -8.208 388 HG2 GLU 53 HG3 GLU 53 8.345 7.592 -7.741 389 HG3 GLU 53 HG2 GLU 53 9.586 8.351 -6.746 390 H HIS 54 H HIS 54 11.824 4.990 -5.609 391 HA HIS 54 HA HIS 54 11.927 2.354 -6.469 392 HB2 HIS 54 HB3 HIS 54 13.491 3.503 -4.106 393 HB3 HIS 54 HB2 HIS 54 13.952 2.088 -5.058 394 HD2 HIS 54 HD2 HIS 54 15.069 2.689 -7.598 395 HE1 HIS 54 HE1 HIS 54 14.968 6.885 -7.156 396 HE2 HIS 54 HE2 HIS 54 15.826 4.979 -8.596 397 H GLU 55 H GLU 55 11.340 3.368 -3.000 398 HA GLU 55 HA GLU 55 10.823 0.797 -2.036 399 HB2 GLU 55 HB3 GLU 55 9.699 3.500 -1.164 400 HB3 GLU 55 HB2 GLU 55 9.672 2.036 -0.176 401 HG2 GLU 55 HG3 GLU 55 12.215 3.411 -1.192 402 HG3 GLU 55 HG2 GLU 55 11.567 3.575 0.436 403 H HIS 56 H HIS 56 8.536 3.250 -3.317 404 HA HIS 56 HA HIS 56 6.176 1.725 -2.955 405 HB2 HIS 56 HB3 HIS 56 6.114 4.150 -3.346 406 HB3 HIS 56 HB2 HIS 56 6.814 3.931 -4.944 407 HD2 HIS 56 HD2 HIS 56 3.481 2.619 -3.184 408 HE1 HIS 56 HE1 HIS 56 2.799 3.204 -7.311 409 HE2 HIS 56 HE2 HIS 56 1.740 2.465 -5.114 410 H GLN 57 H GLN 57 8.145 2.152 -5.986 411 HA GLN 57 HA GLN 57 6.551 0.425 -7.570 412 HB2 GLN 57 HB3 GLN 57 9.273 1.679 -7.822 413 HB3 GLN 57 HB2 GLN 57 8.953 0.331 -8.890 414 HG2 GLN 57 HG3 GLN 57 8.366 2.600 -9.869 415 HG3 GLN 57 HG2 GLN 57 7.052 1.443 -9.895 416 HE21 GLN 57 HE21 GLN 57 8.046 3.367 -7.087 417 HE22 GLN 57 HE22 GLN 57 6.613 4.233 -6.945 418 H GLN 58 H GLN 58 9.375 -0.297 -5.510 419 HA GLN 58 HA GLN 58 9.803 -2.971 -6.380 420 HB2 GLN 58 HB3 GLN 58 10.390 -1.454 -3.807 421 HB3 GLN 58 HB2 GLN 58 10.785 -3.168 -3.920 422 HG2 GLN 58 HG3 GLN 58 12.286 -2.767 -5.826 423 HG3 GLN 58 HG2 GLN 58 11.820 -1.077 -5.907 424 HE21 GLN 58 HE21 GLN 58 14.507 -2.495 -5.242 425 HE22 GLN 58 HE22 GLN 58 15.004 -1.743 -3.803 426 H MET 59 H MET 59 7.901 -1.778 -3.516 427 HA MET 59 HA MET 59 6.839 -4.307 -2.839 428 HB2 MET 59 HB3 MET 59 5.657 -1.532 -2.357 429 HB3 MET 59 HB2 MET 59 5.266 -3.001 -1.450 430 HG2 MET 59 HG3 MET 59 8.054 -1.804 -1.598 431 HG3 MET 59 HG2 MET 59 6.957 -1.497 -0.308 432 HE1 MET 59 HE1 MET 59 10.033 -3.237 -0.762 433 HE2 MET 59 HE2 MET 59 9.197 -3.995 -2.115 434 HE3 MET 59 HE3 MET 59 9.749 -4.984 -0.761 435 H ARG 60 H ARG 60 5.750 -1.761 -5.039 436 HA ARG 60 HA ARG 60 3.139 -2.763 -5.509 437 HB2 ARG 60 HB3 ARG 60 4.105 -0.555 -6.295 438 HB3 ARG 60 HB2 ARG 60 4.966 -1.430 -7.560 439 HG2 ARG 60 HG3 ARG 60 2.761 -2.277 -8.421 440 HG3 ARG 60 HG2 ARG 60 1.947 -1.326 -7.178 441 HD2 ARG 60 HD3 ARG 60 1.916 -0.099 -9.278 442 HD3 ARG 60 HD2 ARG 60 2.999 0.735 -8.152 443 HE ARG 60 HE ARG 60 4.488 -1.108 -9.715 444 HH11 ARG 60 HH21 ARG 60 2.794 1.926 -10.025 445 HH12 ARG 60 HH22 ARG 60 3.769 2.479 -11.345 446 HH21 ARG 60 HH11 ARG 60 5.745 -0.364 -11.443 447 HH22 ARG 60 HH12 ARG 60 5.430 1.188 -12.144 448 H ASP 61 H ASP 61 6.190 -3.431 -7.383 449 HA ASP 61 HA ASP 61 5.139 -5.261 -9.193 450 HB2 ASP 61 HB3 ASP 61 7.919 -4.980 -7.974 451 HB3 ASP 61 HB2 ASP 61 7.573 -5.957 -9.406 452 H ASP 62 H ASP 62 6.353 -5.676 -5.941 453 HA ASP 62 HA ASP 62 6.491 -8.533 -5.886 454 HB2 ASP 62 HB3 ASP 62 6.102 -6.547 -3.596 455 HB3 ASP 62 HB2 ASP 62 6.512 -8.247 -3.396 456 H LEU 63 H LEU 63 4.000 -6.143 -5.089 457 HA LEU 63 HA LEU 63 2.086 -7.910 -4.024 458 HB2 LEU 63 HB3 LEU 63 2.143 -5.319 -4.050 459 HB3 LEU 63 HB2 LEU 63 1.397 -5.410 -5.630 460 HG LEU 63 HG LEU 63 -0.359 -7.056 -4.299 461 HD11 LEU 63 HD11 LEU 63 0.592 -5.194 -2.085 462 HD12 LEU 63 HD12 LEU 63 0.916 -6.919 -2.141 463 HD13 LEU 63 HD13 LEU 63 -0.740 -6.342 -1.983 464 HD21 LEU 63 HD21 LEU 63 -0.430 -4.016 -4.181 465 HD22 LEU 63 HD22 LEU 63 -1.820 -5.069 -3.869 466 HD23 LEU 63 HD23 LEU 63 -1.073 -5.038 -5.465 467 H GLU 64 H GLU 64 2.409 -6.636 -7.407 468 HA GLU 64 HA GLU 64 0.215 -8.055 -8.492 469 HB2 GLU 64 HB3 GLU 64 2.883 -7.282 -9.756 470 HB3 GLU 64 HB2 GLU 64 1.455 -7.781 -10.673 471 HG2 GLU 64 HG3 GLU 64 0.175 -5.849 -9.749 472 HG3 GLU 64 HG2 GLU 64 1.583 -5.354 -8.810 473 H LYS 65 H LYS 65 3.632 -9.041 -8.206 474 HA LYS 65 HA LYS 65 3.427 -11.609 -9.402 475 HB2 LYS 65 HB3 LYS 65 5.322 -10.456 -7.312 476 HB3 LYS 65 HB2 LYS 65 5.561 -12.065 -8.012 477 HG2 LYS 65 HG3 LYS 65 5.712 -11.064 -10.286 478 HG3 LYS 65 HG2 LYS 65 5.448 -9.461 -9.617 479 HD2 LYS 65 HD3 LYS 65 7.547 -9.684 -8.257 480 HD3 LYS 65 HD2 LYS 65 7.815 -11.283 -8.956 481 HE2 LYS 65 HE3 LYS 65 7.969 -10.257 -11.229 482 HE3 LYS 65 HE2 LYS 65 7.726 -8.659 -10.513 483 HZ1 LYS 65 HZ1 LYS 65 9.843 -10.346 -9.407 484 HZ2 LYS 65 HZ2 LYS 65 9.780 -8.656 -9.585 485 HZ3 LYS 65 HZ3 LYS 65 10.111 -9.642 -10.927 486 H GLU 66 H GLU 66 3.040 -10.618 -5.987 487 HA GLU 66 HA GLU 66 2.667 -13.266 -4.932 488 HB2 GLU 66 HB3 GLU 66 1.989 -10.484 -3.905 489 HB3 GLU 66 HB2 GLU 66 1.597 -11.923 -2.962 490 HG2 GLU 66 HG3 GLU 66 3.981 -12.566 -2.883 491 HG3 GLU 66 HG2 GLU 66 4.421 -11.217 -3.908 492 H ARG 67 H ARG 67 0.359 -10.712 -5.944 493 HA ARG 67 HA ARG 67 -2.044 -11.973 -5.278 494 HB2 ARG 67 HB3 ARG 67 -1.294 -10.067 -7.522 495 HB3 ARG 67 HB2 ARG 67 -2.963 -10.605 -7.340 496 HG2 ARG 67 HG3 ARG 67 -3.081 -9.643 -5.072 497 HG3 ARG 67 HG2 ARG 67 -1.378 -9.208 -5.118 498 HD2 ARG 67 HD3 ARG 67 -2.827 -7.238 -5.625 499 HD3 ARG 67 HD2 ARG 67 -1.806 -7.649 -7.008 500 HE ARG 67 HE ARG 67 -4.298 -9.017 -7.205 501 HH11 ARG 67 HH21 ARG 67 -2.922 -5.825 -7.499 502 HH12 ARG 67 HH22 ARG 67 -4.121 -5.278 -8.623 503 HH21 ARG 67 HH11 ARG 67 -5.840 -8.284 -8.679 504 HH22 ARG 67 HH12 ARG 67 -5.766 -6.664 -9.288 505 H GLU 68 H GLU 68 -0.177 -12.360 -8.331 506 HA GLU 68 HA GLU 68 -1.984 -14.163 -9.615 507 HB2 GLU 68 HB3 GLU 68 1.031 -13.781 -9.893 508 HB3 GLU 68 HB2 GLU 68 0.053 -14.735 -11.016 509 HG2 GLU 68 HG3 GLU 68 -1.296 -12.730 -11.569 510 HG3 GLU 68 HG2 GLU 68 -0.380 -11.777 -10.417 511 H ASP 69 H ASP 69 1.197 -14.931 -8.188 512 HA ASP 69 HA ASP 69 0.942 -17.694 -8.108 513 HB2 ASP 69 HB3 ASP 69 2.403 -15.968 -6.058 514 HB3 ASP 69 HB2 ASP 69 2.691 -17.687 -6.341 515 H LEU 70 H LEU 70 -0.090 -15.328 -5.640 516 HA LEU 70 HA LEU 70 -0.931 -17.063 -3.636 517 HB2 LEU 70 HB3 LEU 70 -0.877 -14.633 -3.266 518 HB3 LEU 70 HB2 LEU 70 -2.134 -14.394 -4.481 519 HG LEU 70 HG LEU 70 -3.777 -15.575 -2.981 520 HD11 LEU 70 HD11 LEU 70 -2.461 -17.135 -1.735 521 HD12 LEU 70 HD12 LEU 70 -3.026 -15.981 -0.542 522 HD13 LEU 70 HD13 LEU 70 -1.369 -15.886 -1.139 523 HD21 LEU 70 HD21 LEU 70 -3.962 -13.822 -1.260 524 HD22 LEU 70 HD22 LEU 70 -3.547 -13.116 -2.819 525 HD23 LEU 70 HD23 LEU 70 -2.303 -13.309 -1.580 526 H ASP 71 H ASP 71 -2.794 -15.937 -6.441 527 HA ASP 71 HA ASP 71 -5.257 -17.182 -5.804 528 HB2 ASP 71 HB3 ASP 71 -4.098 -16.578 -8.567 529 HB3 ASP 71 HB2 ASP 71 -5.798 -16.869 -8.204 530 H LEU 72 H LEU 72 -2.618 -18.277 -7.951 531 HA LEU 72 HA LEU 72 -3.628 -20.821 -8.577 532 HB2 LEU 72 HB3 LEU 72 -0.787 -19.774 -8.357 533 HB3 LEU 72 HB2 LEU 72 -1.181 -21.311 -9.132 534 HG LEU 72 HG LEU 72 -2.301 -18.613 -10.082 535 HD11 LEU 72 HD11 LEU 72 0.088 -20.166 -11.177 536 HD12 LEU 72 HD12 LEU 72 0.155 -18.613 -10.342 537 HD13 LEU 72 HD13 LEU 72 -0.619 -18.728 -11.918 538 HD21 LEU 72 HD21 LEU 72 -3.703 -20.479 -10.882 539 HD22 LEU 72 HD22 LEU 72 -2.286 -21.389 -11.385 540 HD23 LEU 72 HD23 LEU 72 -2.741 -19.917 -12.237 541 H ASP 73 H ASP 73 -1.512 -19.777 -5.920 542 HA ASP 73 HA ASP 73 -1.007 -22.358 -4.809 543 HB2 ASP 73 HB3 ASP 73 -1.036 -19.600 -3.482 544 HB3 ASP 73 HB2 ASP 73 -0.354 -21.059 -2.761 545 H HIS 74 H HIS 74 -2.217 -23.577 -3.403 546 HA HIS 74 HA HIS 74 -5.028 -23.171 -3.173 547 HB2 HIS 74 HB3 HIS 74 -3.148 -25.010 -1.612 548 HB3 HIS 74 HB2 HIS 74 -4.908 -25.160 -1.652 549 HD2 HIS 74 HD2 HIS 74 -5.945 -26.267 -4.052 550 HE1 HIS 74 HE1 HIS 74 -2.213 -26.926 -5.914 551 HE2 HIS 74 HE2 HIS 74 -4.710 -27.360 -6.077 552 H SER 75 H SER 75 -2.331 -22.719 -0.896 553 HA SER 75 HA SER 75 -2.176 -21.704 1.162 554 HB2 SER 75 HB3 SER 75 -2.485 -19.700 -0.228 555 HB3 SER 75 HB2 SER 75 -4.236 -19.890 -0.151 556 HG SER 75 HG SER 75 -2.410 -19.223 1.897 557 H SER 76 H SER 76 -4.324 -23.777 0.687 558 HA SER 76 HA SER 76 -6.635 -23.238 2.233 559 HB2 SER 76 HB3 SER 76 -6.449 -25.149 0.656 560 HB3 SER 76 HB2 SER 76 -5.251 -25.903 1.704 561 HG SER 76 HG SER 76 -7.458 -26.617 2.030 562 H LEU 77 H LEU 77 -3.371 -23.884 3.120 563 HA LEU 77 HA LEU 77 -3.782 -25.068 5.662 564 HB2 LEU 77 HB3 LEU 77 -1.405 -23.412 4.702 565 HB3 LEU 77 HB2 LEU 77 -1.391 -24.551 6.053 566 HG LEU 77 HG LEU 77 -1.833 -25.262 3.100 567 HD11 LEU 77 HD11 LEU 77 0.517 -24.678 3.634 568 HD12 LEU 77 HD12 LEU 77 0.365 -26.396 3.275 569 HD13 LEU 77 HD13 LEU 77 0.519 -25.858 4.948 570 HD21 LEU 77 HD21 LEU 77 -1.551 -27.704 4.036 571 HD22 LEU 77 HD22 LEU 77 -3.100 -26.921 4.269 572 HD23 LEU 77 HD23 LEU 77 -1.955 -27.008 5.609 573 HA PRO 78 HA PRO 78 -5.001 -21.361 7.963 574 HB2 PRO 78 HB3 PRO 78 -4.527 -22.086 10.565 575 HB3 PRO 78 HB2 PRO 78 -5.783 -22.911 9.604 576 HG2 PRO 78 HG3 PRO 78 -2.918 -23.791 10.074 577 HG3 PRO 78 HG2 PRO 78 -4.414 -24.732 10.312 578 HD2 PRO 78 HD2 PRO 78 -2.981 -24.989 8.006 579 HD3 PRO 78 HD3 PRO 78 -4.761 -25.017 7.959 Start of MODEL 4 1 H1 ASN 1 1H ASN 1 -11.589 -6.673 -5.345 2 H2 ASN 1 2H ASN 1 -10.749 -8.104 -4.977 3 H3 ASN 1 3H ASN 1 -12.339 -8.176 -5.575 4 HA ASN 1 HA ASN 1 -10.247 -6.866 -7.166 5 HB2 ASN 1 HB3 ASN 1 -9.800 -9.118 -8.235 6 HB3 ASN 1 HB2 ASN 1 -9.247 -9.021 -6.565 7 HD21 ASN 1 HD21 ASN 1 -11.509 -10.622 -8.707 8 HD22 ASN 1 HD22 ASN 1 -12.166 -11.663 -7.537 9 H THR 2 H THR 2 -12.987 -9.193 -7.179 10 HA THR 2 HA THR 2 -13.894 -8.604 -9.797 11 HB THR 2 HB THR 2 -15.533 -9.635 -7.437 12 HG1 THR 2 HG1 THR 2 -14.338 -11.327 -9.278 13 HG21 THR 2 HG21 THR 2 -16.898 -9.103 -9.464 14 HG22 THR 2 HG22 THR 2 -16.804 -10.842 -9.199 15 HG23 THR 2 HG23 THR 2 -15.810 -10.091 -10.444 16 H VAL 3 H VAL 3 -15.096 -7.423 -6.633 17 HA VAL 3 HA VAL 3 -17.077 -5.651 -7.686 18 HB VAL 3 HB VAL 3 -15.639 -5.570 -4.984 19 HG11 VAL 3 HG11 VAL 3 -16.874 -3.458 -5.422 20 HG12 VAL 3 HG12 VAL 3 -17.720 -4.397 -4.200 21 HG13 VAL 3 HG13 VAL 3 -18.317 -4.376 -5.859 22 HG21 VAL 3 HG21 VAL 3 -16.701 -7.783 -5.404 23 HG22 VAL 3 HG22 VAL 3 -18.223 -6.986 -5.810 24 HG23 VAL 3 HG23 VAL 3 -17.592 -6.901 -4.165 25 H ASP 4 H ASP 4 -13.721 -5.178 -6.598 26 HA ASP 4 HA ASP 4 -13.255 -2.988 -8.416 27 HB2 ASP 4 HB3 ASP 4 -12.873 -1.242 -6.672 28 HB3 ASP 4 HB2 ASP 4 -14.555 -1.768 -6.697 29 H ASP 5 H ASP 5 -11.056 -2.166 -8.243 30 HA ASP 5 HA ASP 5 -9.138 -4.270 -7.658 31 HB2 ASP 5 HB3 ASP 5 -8.761 -1.383 -8.588 32 HB3 ASP 5 HB2 ASP 5 -7.504 -2.621 -8.574 33 H ILE 6 H ILE 6 -8.545 -4.613 -5.560 34 HA ILE 6 HA ILE 6 -8.743 -2.670 -3.465 35 HB ILE 6 HB ILE 6 -7.508 -4.396 -2.115 36 HG12 ILE 6 HG13 ILE 6 -7.367 -5.984 -4.746 37 HG13 ILE 6 HG12 ILE 6 -5.982 -5.186 -4.014 38 HG21 ILE 6 HG21 ILE 6 -9.716 -5.541 -3.911 39 HG22 ILE 6 HG22 ILE 6 -9.986 -4.586 -2.455 40 HG23 ILE 6 HG23 ILE 6 -9.254 -6.178 -2.330 41 HD11 ILE 6 HD11 ILE 6 -7.596 -7.411 -2.720 42 HD12 ILE 6 HD12 ILE 6 -6.226 -6.575 -1.988 43 HD13 ILE 6 HD13 ILE 6 -5.994 -7.551 -3.435 44 H SER 7 H SER 7 -6.323 -3.411 -5.803 45 HA SER 7 HA SER 7 -4.090 -2.156 -4.434 46 HB2 SER 7 HB3 SER 7 -4.421 -3.103 -7.304 47 HB3 SER 7 HB2 SER 7 -2.894 -2.616 -6.563 48 HG SER 7 HG SER 7 -4.080 -4.978 -6.489 49 H GLU 8 H GLU 8 -6.751 -0.685 -5.452 50 HA GLU 8 HA GLU 8 -5.983 1.239 -7.372 51 HB2 GLU 8 HB3 GLU 8 -8.333 0.786 -6.666 52 HB3 GLU 8 HB2 GLU 8 -8.013 1.552 -5.113 53 HG2 GLU 8 HG3 GLU 8 -7.533 3.711 -6.285 54 HG3 GLU 8 HG2 GLU 8 -7.830 2.933 -7.834 55 H SER 9 H SER 9 -5.662 1.250 -3.825 56 HA SER 9 HA SER 9 -4.712 3.927 -3.525 57 HB2 SER 9 HB3 SER 9 -3.913 3.141 -1.313 58 HB3 SER 9 HB2 SER 9 -5.533 2.527 -1.637 59 HG SER 9 HG SER 9 -4.698 0.553 -2.095 60 H LEU 10 H LEU 10 -3.118 0.808 -4.099 61 HA LEU 10 HA LEU 10 -0.422 1.716 -3.897 62 HB2 LEU 10 HB3 LEU 10 -1.487 -0.627 -5.526 63 HB3 LEU 10 HB2 LEU 10 0.160 -0.434 -4.913 64 HG LEU 10 HG LEU 10 -2.354 -0.744 -3.184 65 HD11 LEU 10 HD11 LEU 10 -1.708 -2.832 -4.360 66 HD12 LEU 10 HD12 LEU 10 -1.462 -2.957 -2.624 67 HD13 LEU 10 HD13 LEU 10 -0.089 -2.687 -3.693 68 HD21 LEU 10 HD21 LEU 10 -0.473 -1.132 -1.361 69 HD22 LEU 10 HD22 LEU 10 -0.901 0.509 -1.796 70 HD23 LEU 10 HD23 LEU 10 0.561 -0.219 -2.451 71 H ARG 11 H ARG 11 -2.629 1.435 -6.682 72 HA ARG 11 HA ARG 11 -0.778 1.969 -8.741 73 HB2 ARG 11 HB3 ARG 11 -3.769 2.474 -8.518 74 HB3 ARG 11 HB2 ARG 11 -2.888 2.830 -10.006 75 HG2 ARG 11 HG3 ARG 11 -2.178 0.455 -10.177 76 HG3 ARG 11 HG2 ARG 11 -3.010 0.076 -8.675 77 HD2 ARG 11 HD3 ARG 11 -5.184 0.722 -9.702 78 HD3 ARG 11 HD2 ARG 11 -4.353 1.116 -11.209 79 HE ARG 11 HE ARG 11 -3.702 -1.541 -10.541 80 HH11 ARG 11 HH21 ARG 11 -6.502 0.331 -11.455 81 HH12 ARG 11 HH22 ARG 11 -7.289 -0.998 -12.240 82 HH21 ARG 11 HH11 ARG 11 -4.756 -3.262 -11.577 83 HH22 ARG 11 HH12 ARG 11 -6.306 -3.016 -12.309 84 H GLN 12 H GLN 12 -2.230 4.131 -6.411 85 HA GLN 12 HA GLN 12 -2.148 6.614 -7.600 86 HB2 GLN 12 HB3 GLN 12 -1.219 5.896 -4.791 87 HB3 GLN 12 HB2 GLN 12 -1.624 7.530 -5.311 88 HG2 GLN 12 HG3 GLN 12 -3.596 5.190 -5.389 89 HG3 GLN 12 HG2 GLN 12 -3.513 6.359 -4.074 90 HE21 GLN 12 HE21 GLN 12 -5.417 5.718 -6.637 91 HE22 GLN 12 HE22 GLN 12 -5.847 7.292 -7.106 92 H GLY 13 H GLY 13 0.601 5.668 -5.504 93 HA2 GLY 13 HA3 GLY 13 2.860 6.112 -5.665 94 HA3 GLY 13 HA2 GLY 13 2.668 5.829 -7.392 95 H GLY 14 H GLY 14 0.741 8.303 -6.015 96 HA2 GLY 14 HA3 GLY 14 1.611 10.364 -7.691 97 HA3 GLY 14 HA2 GLY 14 0.712 10.594 -6.196 98 H GLY 15 H GLY 15 3.261 9.014 -5.113 99 HA2 GLY 15 HA3 GLY 15 5.539 9.583 -4.652 100 HA3 GLY 15 HA2 GLY 15 5.179 11.284 -4.914 101 H LYS 16 H LYS 16 3.212 11.988 -3.397 102 HA LYS 16 HA LYS 16 4.200 11.647 -0.650 103 HB2 LYS 16 HB3 LYS 16 1.798 13.219 -1.663 104 HB3 LYS 16 HB2 LYS 16 2.535 13.347 -0.053 105 HG2 LYS 16 HG3 LYS 16 4.733 14.025 -1.248 106 HG3 LYS 16 HG2 LYS 16 3.790 14.139 -2.738 107 HD2 LYS 16 HD3 LYS 16 3.391 15.791 -0.182 108 HD3 LYS 16 HD2 LYS 16 3.965 16.377 -1.741 109 HE2 LYS 16 HE3 LYS 16 1.685 15.588 -2.705 110 HE3 LYS 16 HE2 LYS 16 1.157 15.455 -1.023 111 HZ1 LYS 16 HZ1 LYS 16 2.428 17.903 -1.238 112 HZ2 LYS 16 HZ2 LYS 16 0.759 17.620 -1.089 113 HZ3 LYS 16 HZ3 LYS 16 1.462 17.780 -2.627 114 H LEU 17 H LEU 17 3.617 9.803 0.279 115 HA LEU 17 HA LEU 17 0.772 9.195 0.668 116 HB2 LEU 17 HB3 LEU 17 1.574 7.960 -1.445 117 HB3 LEU 17 HB2 LEU 17 2.636 7.029 -0.406 118 HG LEU 17 HG LEU 17 0.295 6.632 0.969 119 HD11 LEU 17 HD11 LEU 17 -0.710 6.908 -1.873 120 HD12 LEU 17 HD12 LEU 17 -1.028 8.057 -0.575 121 HD13 LEU 17 HD13 LEU 17 -1.633 6.418 -0.452 122 HD21 LEU 17 HD21 LEU 17 1.635 4.775 0.208 123 HD22 LEU 17 HD22 LEU 17 1.193 5.064 -1.477 124 HD23 LEU 17 HD23 LEU 17 -0.009 4.478 -0.333 125 H ASN 18 H ASN 18 0.397 8.376 2.618 126 HA ASN 18 HA ASN 18 2.415 7.008 4.223 127 HB2 ASN 18 HB3 ASN 18 2.319 8.655 6.073 128 HB3 ASN 18 HB2 ASN 18 2.961 9.405 4.615 129 HD21 ASN 18 HD21 ASN 18 1.993 11.400 4.109 130 HD22 ASN 18 HD22 ASN 18 0.447 11.881 4.614 131 H PHE 19 H PHE 19 1.504 6.282 6.210 132 HA PHE 19 HA PHE 19 -0.560 4.689 6.230 133 HB2 PHE 19 HB3 PHE 19 -0.904 5.118 8.715 134 HB3 PHE 19 HB2 PHE 19 0.777 4.879 8.230 135 HD1 PHE 19 HD1 PHE 19 2.364 6.815 8.033 136 HD2 PHE 19 HD2 PHE 19 -1.684 7.386 9.446 137 HE1 PHE 19 HE1 PHE 19 2.961 9.079 8.851 138 HE2 PHE 19 HE2 PHE 19 -1.068 9.644 10.265 139 HZ PHE 19 HZ PHE 19 1.250 10.494 9.969 140 H ASP 20 H ASP 20 -1.074 8.180 6.716 141 HA ASP 20 HA ASP 20 -3.929 7.976 7.182 142 HB2 ASP 20 HB3 ASP 20 -2.325 9.828 7.992 143 HB3 ASP 20 HB2 ASP 20 -2.386 10.486 6.365 144 H GLU 21 H GLU 21 -1.957 9.016 4.427 145 HA GLU 21 HA GLU 21 -4.049 9.741 2.701 146 HB2 GLU 21 HB3 GLU 21 -1.334 8.619 1.916 147 HB3 GLU 21 HB2 GLU 21 -2.390 9.552 0.858 148 HG2 GLU 21 HG3 GLU 21 -1.187 10.597 3.470 149 HG3 GLU 21 HG2 GLU 21 -0.548 10.946 1.868 150 H LEU 22 H LEU 22 -2.469 6.657 3.048 151 HA LEU 22 HA LEU 22 -4.129 5.369 0.969 152 HB2 LEU 22 HB3 LEU 22 -2.949 3.287 1.655 153 HB3 LEU 22 HB2 LEU 22 -1.884 4.601 1.205 154 HG LEU 22 HG LEU 22 -2.060 5.038 3.988 155 HD11 LEU 22 HD11 LEU 22 -2.045 3.062 5.195 156 HD12 LEU 22 HD12 LEU 22 -1.804 2.038 3.772 157 HD13 LEU 22 HD13 LEU 22 -3.344 2.794 4.087 158 HD21 LEU 22 HD21 LEU 22 0.038 5.073 2.720 159 HD22 LEU 22 HD22 LEU 22 -0.003 3.333 2.506 160 HD23 LEU 22 HD23 LEU 22 0.233 4.036 4.090 161 H ARG 23 H ARG 23 -3.941 5.188 4.526 162 HA ARG 23 HA ARG 23 -5.949 3.220 4.865 163 HB2 ARG 23 HB3 ARG 23 -4.430 3.835 6.683 164 HB3 ARG 23 HB2 ARG 23 -5.156 5.436 6.775 165 HG2 ARG 23 HG3 ARG 23 -7.203 3.281 7.082 166 HG3 ARG 23 HG2 ARG 23 -5.958 3.191 8.327 167 HD2 ARG 23 HD3 ARG 23 -7.549 5.694 7.641 168 HD3 ARG 23 HD2 ARG 23 -7.889 4.624 9.007 169 HE ARG 23 HE ARG 23 -5.190 5.393 9.189 170 HH11 ARG 23 HH21 ARG 23 -8.346 6.876 9.326 171 HH12 ARG 23 HH22 ARG 23 -7.849 8.129 10.414 172 HH21 ARG 23 HH11 ARG 23 -4.568 7.040 10.613 173 HH22 ARG 23 HH12 ARG 23 -5.721 8.219 11.136 174 H GLN 24 H GLN 24 -6.336 6.750 5.067 175 HA GLN 24 HA GLN 24 -9.091 6.842 5.600 176 HB2 GLN 24 HB3 GLN 24 -7.302 8.791 4.108 177 HB3 GLN 24 HB2 GLN 24 -8.939 9.178 4.678 178 HG2 GLN 24 HG3 GLN 24 -8.256 8.676 7.008 179 HG3 GLN 24 HG2 GLN 24 -6.640 8.258 6.466 180 HE21 GLN 24 HE21 GLN 24 -8.343 10.759 7.812 181 HE22 GLN 24 HE22 GLN 24 -7.437 12.056 7.238 182 H ASP 25 H ASP 25 -7.375 6.429 2.485 183 HA ASP 25 HA ASP 25 -9.676 6.886 0.841 184 HB2 ASP 25 HB3 ASP 25 -6.897 5.689 0.448 185 HB3 ASP 25 HB2 ASP 25 -8.063 5.877 -0.866 186 H LEU 26 H LEU 26 -7.740 4.151 2.065 187 HA LEU 26 HA LEU 26 -9.233 2.080 0.774 188 HB2 LEU 26 HB3 LEU 26 -7.482 1.974 3.240 189 HB3 LEU 26 HB2 LEU 26 -8.162 0.530 2.503 190 HG LEU 26 HG LEU 26 -6.457 2.417 0.791 191 HD11 LEU 26 HD11 LEU 26 -5.084 1.867 2.775 192 HD12 LEU 26 HD12 LEU 26 -4.444 1.085 1.344 193 HD13 LEU 26 HD13 LEU 26 -5.368 0.150 2.522 194 HD21 LEU 26 HD21 LEU 26 -6.002 0.350 -0.500 195 HD22 LEU 26 HD22 LEU 26 -7.734 0.588 -0.363 196 HD23 LEU 26 HD23 LEU 26 -6.928 -0.595 0.654 197 H LYS 27 H LYS 27 -9.786 3.724 3.778 198 HA LYS 27 HA LYS 27 -11.577 1.927 5.060 199 HB2 LYS 27 HB3 LYS 27 -10.610 3.960 6.109 200 HB3 LYS 27 HB2 LYS 27 -11.576 4.963 5.027 201 HG2 LYS 27 HG3 LYS 27 -13.666 4.160 6.057 202 HG3 LYS 27 HG2 LYS 27 -12.775 2.973 7.016 203 HD2 LYS 27 HD3 LYS 27 -13.378 4.947 8.406 204 HD3 LYS 27 HD2 LYS 27 -11.628 4.804 8.257 205 HE2 LYS 27 HE3 LYS 27 -11.503 6.679 6.730 206 HE3 LYS 27 HE2 LYS 27 -13.240 6.612 6.389 207 HZ1 LYS 27 HZ1 LYS 27 -11.913 7.468 8.895 208 HZ2 LYS 27 HZ2 LYS 27 -13.574 7.122 8.811 209 HZ3 LYS 27 HZ3 LYS 27 -12.918 8.380 7.876 210 H GLY 28 H GLY 28 -12.145 4.463 2.626 211 HA2 GLY 28 HA3 GLY 28 -14.972 4.214 2.403 212 HA3 GLY 28 HA2 GLY 28 -13.899 4.884 1.180 213 H LYS 29 H LYS 29 -12.307 2.499 0.793 214 HA LYS 29 HA LYS 29 -13.890 1.146 -1.181 215 HB2 LYS 29 HB3 LYS 29 -11.187 0.318 -0.028 216 HB3 LYS 29 HB2 LYS 29 -11.857 -0.148 -1.586 217 HG2 LYS 29 HG3 LYS 29 -11.138 2.710 -0.838 218 HG3 LYS 29 HG2 LYS 29 -10.078 1.633 -1.734 219 HD2 LYS 29 HD3 LYS 29 -11.823 1.441 -3.527 220 HD3 LYS 29 HD2 LYS 29 -12.837 2.580 -2.652 221 HE2 LYS 29 HE3 LYS 29 -11.107 4.330 -2.864 222 HE3 LYS 29 HE2 LYS 29 -10.066 3.195 -3.735 223 HZ1 LYS 29 HZ1 LYS 29 -11.752 2.960 -5.419 224 HZ2 LYS 29 HZ2 LYS 29 -11.354 4.602 -5.240 225 HZ3 LYS 29 HZ3 LYS 29 -12.797 3.994 -4.577 226 H GLY 30 H GLY 30 -14.108 0.861 1.994 227 HA2 GLY 30 HA3 GLY 30 -15.177 -0.637 3.376 228 HA3 GLY 30 HA2 GLY 30 -15.569 -1.581 1.948 229 H HIS 31 H HIS 31 -12.149 -0.912 2.566 230 HA HIS 31 HA HIS 31 -11.553 -3.712 2.737 231 HB2 HIS 31 HB3 HIS 31 -9.918 -1.171 3.108 232 HB3 HIS 31 HB2 HIS 31 -9.210 -2.779 3.285 233 HD2 HIS 31 HD2 HIS 31 -7.804 -2.861 0.874 234 HE1 HIS 31 HE1 HIS 31 -11.178 -2.436 -1.607 235 HE2 HIS 31 HE2 HIS 31 -8.683 -2.947 -1.576 236 H THR 32 H THR 32 -10.283 -4.662 4.479 237 HA THR 32 HA THR 32 -11.736 -4.265 7.034 238 HB THR 32 HB THR 32 -10.803 -6.454 7.638 239 HG1 THR 32 HG1 THR 32 -9.319 -7.420 6.356 240 HG21 THR 32 HG21 THR 32 -11.822 -7.819 5.844 241 HG22 THR 32 HG22 THR 32 -11.767 -6.454 4.735 242 HG23 THR 32 HG23 THR 32 -12.831 -6.402 6.143 243 H ASP 33 H ASP 33 -10.577 -4.251 9.058 244 HA ASP 33 HA ASP 33 -8.530 -2.275 9.094 245 HB2 ASP 33 HB3 ASP 33 -9.398 -4.236 11.263 246 HB3 ASP 33 HB2 ASP 33 -8.385 -2.817 11.531 247 H ALA 34 H ALA 34 -8.413 -5.829 9.518 248 HA ALA 34 HA ALA 34 -5.652 -6.030 10.048 249 HB1 ALA 34 HB1 ALA 34 -5.880 -8.388 9.310 250 HB2 ALA 34 HB2 ALA 34 -7.428 -8.005 8.550 251 HB3 ALA 34 HB3 ALA 34 -7.261 -7.906 10.300 252 H GLU 35 H GLU 35 -7.330 -6.183 6.821 253 HA GLU 35 HA GLU 35 -5.036 -6.574 5.293 254 HB2 GLU 35 HB3 GLU 35 -7.740 -5.365 4.647 255 HB3 GLU 35 HB2 GLU 35 -6.541 -5.689 3.395 256 HG2 GLU 35 HG3 GLU 35 -7.612 -7.855 5.283 257 HG3 GLU 35 HG2 GLU 35 -8.291 -7.538 3.689 258 H ILE 36 H ILE 36 -6.672 -3.672 6.240 259 HA ILE 36 HA ILE 36 -5.203 -1.815 4.689 260 HB ILE 36 HB ILE 36 -6.636 -1.504 7.347 261 HG12 ILE 36 HG13 ILE 36 -7.365 -0.337 4.615 262 HG13 ILE 36 HG12 ILE 36 -7.875 -1.935 5.089 263 HG21 ILE 36 HG21 ILE 36 -6.485 0.998 6.973 264 HG22 ILE 36 HG22 ILE 36 -5.307 0.708 5.700 265 HG23 ILE 36 HG23 ILE 36 -4.939 0.287 7.373 266 HD11 ILE 36 HD11 ILE 36 -8.508 0.572 6.667 267 HD12 ILE 36 HD12 ILE 36 -9.099 -1.066 6.979 268 HD13 ILE 36 HD13 ILE 36 -9.603 -0.203 5.521 269 H GLU 37 H GLU 37 -4.656 -3.012 8.006 270 HA GLU 37 HA GLU 37 -2.372 -1.653 8.655 271 HB2 GLU 37 HB3 GLU 37 -3.287 -4.397 9.527 272 HB3 GLU 37 HB2 GLU 37 -1.965 -3.516 10.308 273 HG2 GLU 37 HG3 GLU 37 -3.487 -1.630 10.785 274 HG3 GLU 37 HG2 GLU 37 -4.794 -2.482 9.989 275 H ALA 38 H ALA 38 -2.689 -4.810 7.105 276 HA ALA 38 HA ALA 38 0.043 -5.432 6.944 277 HB1 ALA 38 HB1 ALA 38 -2.273 -6.197 5.112 278 HB2 ALA 38 HB2 ALA 38 -1.861 -7.006 6.619 279 HB3 ALA 38 HB3 ALA 38 -0.741 -7.067 5.257 280 H ILE 39 H ILE 39 -2.131 -3.782 4.589 281 HA ILE 39 HA ILE 39 -0.165 -3.619 2.514 282 HB ILE 39 HB ILE 39 -2.736 -2.086 3.058 283 HG12 ILE 39 HG13 ILE 39 -3.280 -2.874 0.658 284 HG13 ILE 39 HG12 ILE 39 -1.758 -3.761 0.680 285 HG21 ILE 39 HG21 ILE 39 -0.652 -1.148 1.031 286 HG22 ILE 39 HG22 ILE 39 -1.501 -0.175 2.229 287 HG23 ILE 39 HG23 ILE 39 -2.364 -0.777 0.821 288 HD11 ILE 39 HD11 ILE 39 -4.207 -4.190 2.388 289 HD12 ILE 39 HD12 ILE 39 -2.657 -4.943 2.790 290 HD13 ILE 39 HD13 ILE 39 -3.460 -5.315 1.265 291 H PHE 40 H PHE 40 -0.929 -1.136 4.996 292 HA PHE 40 HA PHE 40 1.064 0.683 4.033 293 HB2 PHE 40 HB3 PHE 40 0.169 2.152 5.527 294 HB3 PHE 40 HB2 PHE 40 -1.084 0.944 5.733 295 HD1 PHE 40 HD1 PHE 40 1.977 2.442 7.232 296 HD2 PHE 40 HD2 PHE 40 -1.144 -0.427 7.692 297 HE1 PHE 40 HE1 PHE 40 2.571 2.165 9.602 298 HE2 PHE 40 HE2 PHE 40 -0.582 -0.758 10.064 299 HZ PHE 40 HZ PHE 40 1.323 0.552 11.039 300 H THR 41 H THR 41 0.934 -1.715 6.630 301 HA THR 41 HA THR 41 3.394 -1.147 7.846 302 HB THR 41 HB THR 41 1.775 -3.690 7.529 303 HG1 THR 41 HG1 THR 41 1.982 -2.411 9.943 304 HG21 THR 41 HG21 THR 41 3.935 -4.482 8.180 305 HG22 THR 41 HG22 THR 41 2.951 -4.408 9.635 306 HG23 THR 41 HG23 THR 41 4.148 -3.158 9.328 307 H LYS 42 H LYS 42 2.697 -3.447 5.171 308 HA LYS 42 HA LYS 42 5.390 -4.350 4.951 309 HB2 LYS 42 HB3 LYS 42 3.371 -5.615 4.216 310 HB3 LYS 42 HB2 LYS 42 3.099 -4.435 2.941 311 HG2 LYS 42 HG3 LYS 42 5.315 -4.989 1.941 312 HG3 LYS 42 HG2 LYS 42 5.606 -6.150 3.236 313 HD2 LYS 42 HD3 LYS 42 3.631 -7.478 2.481 314 HD3 LYS 42 HD2 LYS 42 3.350 -6.317 1.182 315 HE2 LYS 42 HE3 LYS 42 5.586 -6.846 0.213 316 HE3 LYS 42 HE2 LYS 42 5.883 -7.999 1.517 317 HZ1 LYS 42 HZ1 LYS 42 4.859 -8.691 -0.809 318 HZ2 LYS 42 HZ2 LYS 42 3.414 -8.329 0.008 319 HZ3 LYS 42 HZ3 LYS 42 4.476 -9.498 0.633 320 H TYR 43 H TYR 43 3.432 -2.039 2.969 321 HA TYR 43 HA TYR 43 5.633 -1.365 1.280 322 HB2 TYR 43 HB3 TYR 43 2.946 -0.054 1.807 323 HB3 TYR 43 HB2 TYR 43 4.130 0.780 0.799 324 HD1 TYR 43 HD1 TYR 43 2.741 -2.724 1.185 325 HD2 TYR 43 HD2 TYR 43 3.881 0.402 -1.574 326 HE1 TYR 43 HE1 TYR 43 2.070 -4.129 -0.714 327 HE2 TYR 43 HE2 TYR 43 3.188 -1.047 -3.452 328 HH TYR 43 HH TYR 43 2.987 -3.846 -3.616 329 H ASP 44 H ASP 44 4.482 -0.003 4.330 330 HA ASP 44 HA ASP 44 6.677 2.011 4.314 331 HB2 ASP 44 HB3 ASP 44 4.334 2.170 6.241 332 HB3 ASP 44 HB2 ASP 44 5.268 3.455 5.491 333 H GLN 45 H GLN 45 8.377 0.994 5.210 334 HA GLN 45 HA GLN 45 8.279 -1.086 7.097 335 HB2 GLN 45 HB3 GLN 45 10.452 0.957 6.465 336 HB3 GLN 45 HB2 GLN 45 10.726 -0.389 7.569 337 HG2 GLN 45 HG3 GLN 45 11.539 -0.950 5.288 338 HG3 GLN 45 HG2 GLN 45 10.194 -2.000 5.743 339 HE21 GLN 45 HE21 GLN 45 8.097 -1.604 4.683 340 HE22 GLN 45 HE22 GLN 45 8.019 -0.732 3.228 341 H ASP 46 H ASP 46 8.918 2.501 7.814 342 HA ASP 46 HA ASP 46 8.331 1.956 10.678 343 HB2 ASP 46 HB3 ASP 46 9.689 4.298 9.278 344 HB3 ASP 46 HB2 ASP 46 9.522 4.098 11.025 345 H GLY 47 H GLY 47 6.713 3.028 7.933 346 HA2 GLY 47 HA3 GLY 47 4.892 4.452 7.550 347 HA3 GLY 47 HA2 GLY 47 4.345 3.833 9.083 348 H ASP 48 H ASP 48 7.190 5.854 8.612 349 HA ASP 48 HA ASP 48 5.932 8.073 10.195 350 HB2 ASP 48 HB3 ASP 48 7.753 6.744 11.294 351 HB3 ASP 48 HB2 ASP 48 8.854 7.207 10.004 352 H GLN 49 H GLN 49 7.533 7.259 7.193 353 HA GLN 49 HA GLN 49 7.697 10.166 6.425 354 HB2 GLN 49 HB3 GLN 49 9.655 9.275 4.874 355 HB3 GLN 49 HB2 GLN 49 9.995 9.571 6.576 356 HG2 GLN 49 HG3 GLN 49 10.944 7.395 5.810 357 HG3 GLN 49 HG2 GLN 49 9.767 7.168 7.095 358 HE21 GLN 49 HE21 GLN 49 8.619 5.281 6.639 359 HE22 GLN 49 HE22 GLN 49 8.042 4.831 5.106 360 H GLU 50 H GLU 50 7.770 10.458 4.001 361 HA GLU 50 HA GLU 50 5.468 9.247 2.825 362 HB2 GLU 50 HB3 GLU 50 5.985 10.785 0.933 363 HB3 GLU 50 HB2 GLU 50 5.948 11.634 2.481 364 HG2 GLU 50 HG3 GLU 50 8.437 11.563 2.596 365 HG3 GLU 50 HG2 GLU 50 8.496 10.708 1.057 366 H LEU 51 H LEU 51 5.444 7.968 1.003 367 HA LEU 51 HA LEU 51 7.804 6.213 0.634 368 HB2 LEU 51 HB3 LEU 51 4.877 5.991 -0.101 369 HB3 LEU 51 HB2 LEU 51 6.033 4.901 -0.827 370 HG LEU 51 HG LEU 51 4.880 3.950 1.203 371 HD11 LEU 51 HD11 LEU 51 6.838 2.967 2.181 372 HD12 LEU 51 HD12 LEU 51 7.892 4.191 1.579 373 HD13 LEU 51 HD13 LEU 51 7.095 3.085 0.465 374 HD21 LEU 51 HD21 LEU 51 5.427 4.728 3.427 375 HD22 LEU 51 HD22 LEU 51 4.799 6.090 2.530 376 HD23 LEU 51 HD23 LEU 51 6.531 5.946 2.818 377 H THR 52 H THR 52 9.185 6.659 -0.820 378 HA THR 52 HA THR 52 8.804 8.432 -3.017 379 HB THR 52 HB THR 52 10.929 8.425 -1.781 380 HG1 THR 52 HG1 THR 52 12.331 8.015 -3.597 381 HG21 THR 52 HG21 THR 52 10.954 6.034 -1.045 382 HG22 THR 52 HG22 THR 52 12.460 6.477 -1.843 383 HG23 THR 52 HG23 THR 52 11.259 5.532 -2.710 384 H GLU 53 H GLU 53 10.062 7.601 -4.967 385 HA GLU 53 HA GLU 53 8.219 5.949 -6.354 386 HB2 GLU 53 HB3 GLU 53 10.975 6.948 -7.162 387 HB3 GLU 53 HB2 GLU 53 9.871 6.140 -8.273 388 HG2 GLU 53 HG3 GLU 53 8.171 7.935 -7.870 389 HG3 GLU 53 HG2 GLU 53 9.292 8.751 -6.785 390 H HIS 54 H HIS 54 11.680 5.350 -5.772 391 HA HIS 54 HA HIS 54 11.723 2.734 -6.717 392 HB2 HIS 54 HB3 HIS 54 13.776 4.041 -6.167 393 HB3 HIS 54 HB2 HIS 54 13.458 3.818 -4.451 394 HD2 HIS 54 HD2 HIS 54 14.111 1.382 -7.555 395 HE1 HIS 54 HE1 HIS 54 15.518 -0.457 -4.027 396 HE2 HIS 54 HE2 HIS 54 15.301 -0.711 -6.545 397 H GLU 55 H GLU 55 11.325 3.652 -3.173 398 HA GLU 55 HA GLU 55 10.918 1.058 -2.267 399 HB2 GLU 55 HB3 GLU 55 11.323 3.146 -0.895 400 HB3 GLU 55 HB2 GLU 55 9.656 3.627 -1.193 401 HG2 GLU 55 HG3 GLU 55 9.747 2.551 1.004 402 HG3 GLU 55 HG2 GLU 55 8.905 1.452 -0.085 403 H HIS 56 H HIS 56 8.463 3.466 -3.313 404 HA HIS 56 HA HIS 56 6.204 1.808 -2.891 405 HB2 HIS 56 HB3 HIS 56 6.078 4.272 -3.154 406 HB3 HIS 56 HB2 HIS 56 6.552 4.128 -4.822 407 HD2 HIS 56 HD2 HIS 56 4.598 2.656 -6.445 408 HE1 HIS 56 HE1 HIS 56 1.438 3.388 -3.755 409 HE2 HIS 56 HE2 HIS 56 2.029 2.532 -6.073 410 H GLN 57 H GLN 57 8.030 2.470 -5.993 411 HA GLN 57 HA GLN 57 6.396 0.784 -7.598 412 HB2 GLN 57 HB3 GLN 57 9.224 1.861 -7.890 413 HB3 GLN 57 HB2 GLN 57 8.645 0.668 -9.043 414 HG2 GLN 57 HG3 GLN 57 8.215 2.807 -10.042 415 HG3 GLN 57 HG2 GLN 57 6.660 2.223 -9.495 416 HE21 GLN 57 HE21 GLN 57 6.431 3.067 -6.895 417 HE22 GLN 57 HE22 GLN 57 6.673 4.740 -6.765 418 H GLN 58 H GLN 58 9.369 -0.019 -5.735 419 HA GLN 58 HA GLN 58 9.703 -2.656 -6.710 420 HB2 GLN 58 HB3 GLN 58 10.469 -1.286 -4.107 421 HB3 GLN 58 HB2 GLN 58 10.898 -2.973 -4.378 422 HG2 GLN 58 HG3 GLN 58 11.705 -0.718 -6.292 423 HG3 GLN 58 HG2 GLN 58 12.738 -1.291 -4.987 424 HE21 GLN 58 HE21 GLN 58 12.396 -1.617 -8.245 425 HE22 GLN 58 HE22 GLN 58 12.958 -3.208 -8.442 426 H MET 59 H MET 59 8.054 -1.633 -3.657 427 HA MET 59 HA MET 59 7.101 -4.192 -2.963 428 HB2 MET 59 HB3 MET 59 5.914 -1.475 -2.316 429 HB3 MET 59 HB2 MET 59 5.605 -2.965 -1.417 430 HG2 MET 59 HG3 MET 59 8.349 -1.692 -1.743 431 HG3 MET 59 HG2 MET 59 7.350 -1.478 -0.345 432 HE1 MET 59 HE1 MET 59 9.472 -3.816 -2.475 433 HE2 MET 59 HE2 MET 59 10.150 -4.885 -1.246 434 HE3 MET 59 HE3 MET 59 10.436 -3.150 -1.151 435 H ARG 60 H ARG 60 5.661 -1.643 -4.894 436 HA ARG 60 HA ARG 60 3.094 -2.735 -5.264 437 HB2 ARG 60 HB3 ARG 60 3.790 -0.429 -5.892 438 HB3 ARG 60 HB2 ARG 60 4.711 -1.091 -7.243 439 HG2 ARG 60 HG3 ARG 60 2.605 -2.038 -8.200 440 HG3 ARG 60 HG2 ARG 60 1.703 -1.378 -6.837 441 HD2 ARG 60 HD3 ARG 60 1.466 0.101 -8.752 442 HD3 ARG 60 HD2 ARG 60 2.456 0.911 -7.533 443 HE ARG 60 HE ARG 60 4.151 -0.488 -9.322 444 HH11 ARG 60 HH21 ARG 60 2.025 2.284 -9.288 445 HH12 ARG 60 HH22 ARG 60 2.903 3.123 -10.522 446 HH21 ARG 60 HH11 ARG 60 5.268 0.629 -10.933 447 HH22 ARG 60 HH12 ARG 60 4.729 2.194 -11.446 448 H ASP 61 H ASP 61 5.990 -3.143 -7.403 449 HA ASP 61 HA ASP 61 4.773 -4.948 -9.180 450 HB2 ASP 61 HB3 ASP 61 6.862 -3.646 -9.625 451 HB3 ASP 61 HB2 ASP 61 7.726 -4.640 -8.459 452 H ASP 62 H ASP 62 6.455 -5.409 -6.111 453 HA ASP 62 HA ASP 62 6.824 -8.235 -6.283 454 HB2 ASP 62 HB3 ASP 62 6.597 -6.382 -3.871 455 HB3 ASP 62 HB2 ASP 62 7.153 -8.050 -3.794 456 H LEU 63 H LEU 63 4.338 -6.171 -4.763 457 HA LEU 63 HA LEU 63 2.806 -8.289 -3.717 458 HB2 LEU 63 HB3 LEU 63 2.740 -5.862 -3.034 459 HB3 LEU 63 HB2 LEU 63 1.816 -5.543 -4.497 460 HG LEU 63 HG LEU 63 0.183 -7.472 -3.543 461 HD11 LEU 63 HD11 LEU 63 1.618 -8.186 -1.678 462 HD12 LEU 63 HD12 LEU 63 0.101 -7.549 -1.068 463 HD13 LEU 63 HD13 LEU 63 1.562 -6.567 -0.991 464 HD21 LEU 63 HD21 LEU 63 0.257 -4.714 -2.298 465 HD22 LEU 63 HD22 LEU 63 -1.141 -5.782 -2.317 466 HD23 LEU 63 HD23 LEU 63 -0.506 -5.142 -3.828 467 H GLU 64 H GLU 64 2.380 -6.401 -6.816 468 HA GLU 64 HA GLU 64 0.044 -7.722 -7.668 469 HB2 GLU 64 HB3 GLU 64 1.069 -5.666 -8.668 470 HB3 GLU 64 HB2 GLU 64 2.346 -6.658 -9.368 471 HG2 GLU 64 HG3 GLU 64 0.643 -7.919 -10.685 472 HG3 GLU 64 HG2 GLU 64 -0.633 -6.945 -9.966 473 H LYS 65 H LYS 65 3.459 -8.548 -8.257 474 HA LYS 65 HA LYS 65 3.074 -10.872 -9.827 475 HB2 LYS 65 HB3 LYS 65 5.331 -9.961 -8.000 476 HB3 LYS 65 HB2 LYS 65 5.490 -11.375 -9.048 477 HG2 LYS 65 HG3 LYS 65 4.685 -8.676 -10.260 478 HG3 LYS 65 HG2 LYS 65 6.384 -9.001 -9.915 479 HD2 LYS 65 HD3 LYS 65 6.336 -10.993 -11.383 480 HD3 LYS 65 HD2 LYS 65 4.617 -10.757 -11.690 481 HE2 LYS 65 HE3 LYS 65 6.010 -9.850 -13.558 482 HE3 LYS 65 HE2 LYS 65 5.078 -8.575 -12.770 483 HZ1 LYS 65 HZ1 LYS 65 7.886 -9.223 -12.064 484 HZ2 LYS 65 HZ2 LYS 65 6.978 -7.876 -11.571 485 HZ3 LYS 65 HZ3 LYS 65 7.455 -8.034 -13.194 486 H GLU 66 H GLU 66 3.349 -10.450 -6.324 487 HA GLU 66 HA GLU 66 3.321 -13.271 -5.668 488 HB2 GLU 66 HB3 GLU 66 2.872 -10.733 -4.058 489 HB3 GLU 66 HB2 GLU 66 2.684 -12.308 -3.305 490 HG2 GLU 66 HG3 GLU 66 5.257 -11.405 -4.700 491 HG3 GLU 66 HG2 GLU 66 4.988 -11.263 -2.966 492 H ARG 67 H ARG 67 0.842 -10.711 -5.803 493 HA ARG 67 HA ARG 67 -1.363 -12.123 -4.841 494 HB2 ARG 67 HB3 ARG 67 -1.202 -9.961 -6.975 495 HB3 ARG 67 HB2 ARG 67 -2.744 -10.537 -6.355 496 HG2 ARG 67 HG3 ARG 67 -0.778 -9.673 -4.222 497 HG3 ARG 67 HG2 ARG 67 -1.357 -8.373 -5.264 498 HD2 ARG 67 HD3 ARG 67 -2.754 -8.670 -3.190 499 HD3 ARG 67 HD2 ARG 67 -3.688 -8.862 -4.676 500 HE ARG 67 HE ARG 67 -2.745 -11.398 -3.875 501 HH11 ARG 67 HH21 ARG 67 -4.937 -8.950 -2.754 502 HH12 ARG 67 HH22 ARG 67 -6.032 -10.081 -2.031 503 HH21 ARG 67 HH11 ARG 67 -4.163 -12.857 -2.927 504 HH22 ARG 67 HH12 ARG 67 -5.590 -12.289 -2.125 505 H GLU 68 H GLU 68 -0.094 -12.029 -8.179 506 HA GLU 68 HA GLU 68 -2.116 -13.630 -9.375 507 HB2 GLU 68 HB3 GLU 68 -0.447 -12.189 -10.602 508 HB3 GLU 68 HB2 GLU 68 0.815 -13.348 -10.202 509 HG2 GLU 68 HG3 GLU 68 0.025 -13.793 -12.483 510 HG3 GLU 68 HG2 GLU 68 -0.485 -15.128 -11.452 511 H ASP 69 H ASP 69 1.258 -14.599 -8.614 512 HA ASP 69 HA ASP 69 0.926 -17.359 -8.852 513 HB2 ASP 69 HB3 ASP 69 2.788 -15.927 -6.906 514 HB3 ASP 69 HB2 ASP 69 2.976 -17.582 -7.482 515 H LEU 70 H LEU 70 0.464 -15.368 -5.903 516 HA LEU 70 HA LEU 70 -0.119 -17.433 -4.095 517 HB2 LEU 70 HB3 LEU 70 0.401 -15.118 -3.379 518 HB3 LEU 70 HB2 LEU 70 -1.096 -14.552 -4.116 519 HG LEU 70 HG LEU 70 -2.410 -15.923 -2.458 520 HD11 LEU 70 HD11 LEU 70 0.350 -16.710 -1.438 521 HD12 LEU 70 HD12 LEU 70 -1.004 -17.758 -1.867 522 HD13 LEU 70 HD13 LEU 70 -1.084 -16.789 -0.408 523 HD21 LEU 70 HD21 LEU 70 -0.387 -14.036 -1.177 524 HD22 LEU 70 HD22 LEU 70 -1.936 -14.511 -0.481 525 HD23 LEU 70 HD23 LEU 70 -1.896 -13.553 -1.959 526 H ASP 71 H ASP 71 -2.299 -15.563 -6.210 527 HA ASP 71 HA ASP 71 -4.745 -16.583 -5.241 528 HB2 ASP 71 HB3 ASP 71 -4.584 -14.622 -6.757 529 HB3 ASP 71 HB2 ASP 71 -4.032 -15.662 -8.067 530 H LEU 72 H LEU 72 -2.807 -17.650 -8.077 531 HA LEU 72 HA LEU 72 -4.379 -20.031 -8.483 532 HB2 LEU 72 HB3 LEU 72 -3.020 -18.656 -10.232 533 HB3 LEU 72 HB2 LEU 72 -1.593 -19.464 -9.597 534 HG LEU 72 HG LEU 72 -3.100 -21.714 -10.047 535 HD11 LEU 72 HD11 LEU 72 -4.524 -21.508 -12.035 536 HD12 LEU 72 HD12 LEU 72 -4.187 -19.780 -12.149 537 HD13 LEU 72 HD13 LEU 72 -5.116 -20.413 -10.791 538 HD21 LEU 72 HD21 LEU 72 -0.903 -21.304 -11.109 539 HD22 LEU 72 HD22 LEU 72 -1.651 -20.220 -12.281 540 HD23 LEU 72 HD23 LEU 72 -2.043 -21.942 -12.287 541 H ASP 73 H ASP 73 -3.725 -20.156 -5.861 542 HA ASP 73 HA ASP 73 -1.311 -21.595 -5.244 543 HB2 ASP 73 HB3 ASP 73 -2.528 -22.075 -3.062 544 HB3 ASP 73 HB2 ASP 73 -2.461 -20.367 -3.478 545 H HIS 74 H HIS 74 -3.662 -22.542 -7.238 546 HA HIS 74 HA HIS 74 -4.357 -25.183 -6.342 547 HB2 HIS 74 HB3 HIS 74 -4.366 -23.950 -9.143 548 HB3 HIS 74 HB2 HIS 74 -5.161 -25.460 -8.689 549 HD2 HIS 74 HD2 HIS 74 -7.442 -25.100 -6.927 550 HE1 HIS 74 HE1 HIS 74 -7.742 -20.947 -7.628 551 HE2 HIS 74 HE2 HIS 74 -8.912 -22.962 -6.620 552 H SER 75 H SER 75 -1.764 -23.757 -8.282 553 HA SER 75 HA SER 75 -0.016 -26.019 -7.871 554 HB2 SER 75 HB3 SER 75 0.175 -26.752 -10.214 555 HB3 SER 75 HB2 SER 75 -1.496 -26.930 -9.679 556 HG SER 75 HG SER 75 -0.347 -24.919 -11.310 557 H SER 76 H SER 76 1.395 -24.420 -7.134 558 HA SER 76 HA SER 76 2.109 -22.039 -8.491 559 HB2 SER 76 HB3 SER 76 4.012 -21.984 -6.939 560 HB3 SER 76 HB2 SER 76 2.574 -22.539 -6.080 561 HG SER 76 HG SER 76 3.823 -24.160 -5.585 562 H LEU 77 H LEU 77 3.318 -25.349 -8.708 563 HA LEU 77 HA LEU 77 5.662 -24.828 -10.235 564 HB2 LEU 77 HB3 LEU 77 5.418 -27.342 -10.823 565 HB3 LEU 77 HB2 LEU 77 5.572 -26.949 -9.116 566 HG LEU 77 HG LEU 77 2.689 -27.000 -10.016 567 HD11 LEU 77 HD11 LEU 77 2.509 -29.474 -10.143 568 HD12 LEU 77 HD12 LEU 77 4.272 -29.601 -10.084 569 HD13 LEU 77 HD13 LEU 77 3.485 -28.826 -11.458 570 HD21 LEU 77 HD21 LEU 77 2.376 -28.271 -7.931 571 HD22 LEU 77 HD22 LEU 77 3.416 -26.887 -7.603 572 HD23 LEU 77 HD23 LEU 77 4.122 -28.493 -7.762 573 HA PRO 78 HA PRO 78 3.698 -24.116 -14.268 574 HB2 PRO 78 HB3 PRO 78 5.694 -24.712 -16.046 575 HB3 PRO 78 HB2 PRO 78 5.853 -23.328 -14.934 576 HG2 PRO 78 HG3 PRO 78 6.943 -26.141 -14.563 577 HG3 PRO 78 HG2 PRO 78 7.813 -24.600 -14.454 578 HD2 PRO 78 HD2 PRO 78 6.879 -25.789 -12.187 579 HD3 PRO 78 HD3 PRO 78 6.797 -24.020 -12.354 Start of MODEL 5 1 H1 ASN 1 1H ASN 1 -14.180 -3.557 -7.327 2 H2 ASN 1 2H ASN 1 -13.267 -4.981 -7.491 3 H3 ASN 1 3H ASN 1 -14.542 -4.909 -6.370 4 HA ASN 1 HA ASN 1 -15.332 -6.141 -8.208 5 HB2 ASN 1 HB3 ASN 1 -16.320 -3.253 -8.383 6 HB3 ASN 1 HB2 ASN 1 -17.192 -4.667 -8.981 7 HD21 ASN 1 HD21 ASN 1 -17.837 -2.669 -6.726 8 HD22 ASN 1 HD22 ASN 1 -18.151 -3.657 -5.383 9 H THR 2 H THR 2 -16.000 -5.926 -10.584 10 HA THR 2 HA THR 2 -13.715 -5.701 -12.234 11 HB THR 2 HB THR 2 -15.575 -7.145 -12.898 12 HG1 THR 2 HG1 THR 2 -14.389 -6.183 -14.570 13 HG21 THR 2 HG21 THR 2 -17.767 -6.210 -13.592 14 HG22 THR 2 HG22 THR 2 -17.245 -4.594 -13.135 15 HG23 THR 2 HG23 THR 2 -17.451 -5.834 -11.897 16 H VAL 3 H VAL 3 -15.965 -3.337 -11.121 17 HA VAL 3 HA VAL 3 -15.825 -1.391 -13.181 18 HB VAL 3 HB VAL 3 -16.228 -0.948 -10.180 19 HG11 VAL 3 HG11 VAL 3 -15.768 1.197 -11.341 20 HG12 VAL 3 HG12 VAL 3 -17.474 1.121 -10.916 21 HG13 VAL 3 HG13 VAL 3 -16.968 0.806 -12.575 22 HG21 VAL 3 HG21 VAL 3 -17.861 -2.586 -11.092 23 HG22 VAL 3 HG22 VAL 3 -18.271 -1.471 -12.395 24 HG23 VAL 3 HG23 VAL 3 -18.672 -1.062 -10.728 25 H ASP 4 H ASP 4 -13.844 -1.947 -10.281 26 HA ASP 4 HA ASP 4 -11.531 -0.660 -11.516 27 HB2 ASP 4 HB3 ASP 4 -12.828 1.263 -10.554 28 HB3 ASP 4 HB2 ASP 4 -12.734 0.522 -8.960 29 H ASP 5 H ASP 5 -9.709 -1.605 -10.800 30 HA ASP 5 HA ASP 5 -9.752 -3.868 -9.059 31 HB2 ASP 5 HB3 ASP 5 -7.276 -3.827 -9.391 32 HB3 ASP 5 HB2 ASP 5 -8.133 -3.633 -10.920 33 H ILE 6 H ILE 6 -9.118 -4.040 -6.917 34 HA ILE 6 HA ILE 6 -9.350 -1.773 -5.183 35 HB ILE 6 HB ILE 6 -8.677 -3.445 -3.414 36 HG12 ILE 6 HG13 ILE 6 -8.473 -5.450 -5.731 37 HG13 ILE 6 HG12 ILE 6 -7.061 -4.754 -4.955 38 HG21 ILE 6 HG21 ILE 6 -10.667 -4.923 -3.704 39 HG22 ILE 6 HG22 ILE 6 -10.770 -4.456 -5.400 40 HG23 ILE 6 HG23 ILE 6 -11.063 -3.259 -4.138 41 HD11 ILE 6 HD11 ILE 6 -7.538 -6.957 -4.027 42 HD12 ILE 6 HD12 ILE 6 -9.162 -6.444 -3.566 43 HD13 ILE 6 HD13 ILE 6 -7.752 -5.717 -2.794 44 H SER 7 H SER 7 -6.710 -3.177 -6.906 45 HA SER 7 HA SER 7 -4.538 -2.264 -5.253 46 HB2 SER 7 HB3 SER 7 -4.594 -3.035 -8.200 47 HB3 SER 7 HB2 SER 7 -3.131 -2.803 -7.241 48 HG SER 7 HG SER 7 -5.024 -4.848 -7.196 49 H GLU 8 H GLU 8 -6.825 -0.411 -6.654 50 HA GLU 8 HA GLU 8 -5.445 1.471 -8.232 51 HB2 GLU 8 HB3 GLU 8 -7.963 1.270 -8.043 52 HB3 GLU 8 HB2 GLU 8 -7.867 2.025 -6.458 53 HG2 GLU 8 HG3 GLU 8 -8.459 3.731 -8.134 54 HG3 GLU 8 HG2 GLU 8 -6.835 4.068 -7.542 55 H SER 9 H SER 9 -5.934 1.259 -4.720 56 HA SER 9 HA SER 9 -4.995 3.783 -3.932 57 HB2 SER 9 HB3 SER 9 -4.682 1.106 -2.532 58 HB3 SER 9 HB2 SER 9 -4.491 2.678 -1.751 59 HG SER 9 HG SER 9 -6.598 2.972 -1.821 60 H LEU 10 H LEU 10 -3.153 0.721 -4.273 61 HA LEU 10 HA LEU 10 -0.593 1.908 -3.797 62 HB2 LEU 10 HB3 LEU 10 -1.538 -0.731 -4.960 63 HB3 LEU 10 HB2 LEU 10 0.183 -0.353 -4.916 64 HG LEU 10 HG LEU 10 -0.477 -1.693 -2.937 65 HD11 LEU 10 HD11 LEU 10 0.891 -0.607 -1.456 66 HD12 LEU 10 HD12 LEU 10 0.053 0.936 -1.574 67 HD13 LEU 10 HD13 LEU 10 1.203 0.469 -2.814 68 HD21 LEU 10 HD21 LEU 10 -2.904 -0.746 -2.893 69 HD22 LEU 10 HD22 LEU 10 -2.235 0.592 -1.953 70 HD23 LEU 10 HD23 LEU 10 -2.109 -1.058 -1.365 71 H ARG 11 H ARG 11 -2.527 1.408 -6.688 72 HA ARG 11 HA ARG 11 -0.539 1.778 -8.634 73 HB2 ARG 11 HB3 ARG 11 -2.946 1.023 -9.001 74 HB3 ARG 11 HB2 ARG 11 -3.431 2.710 -8.863 75 HG2 ARG 11 HG3 ARG 11 -1.936 3.294 -10.778 76 HG3 ARG 11 HG2 ARG 11 -1.484 1.602 -10.933 77 HD2 ARG 11 HD3 ARG 11 -3.862 1.014 -11.386 78 HD3 ARG 11 HD2 ARG 11 -4.296 2.727 -11.291 79 HE ARG 11 HE ARG 11 -2.995 1.384 -13.487 80 HH11 ARG 11 HH21 ARG 11 -3.224 4.457 -11.830 81 HH12 ARG 11 HH22 ARG 11 -2.747 5.377 -13.218 82 HH21 ARG 11 HH11 ARG 11 -2.350 2.606 -15.259 83 HH22 ARG 11 HH12 ARG 11 -2.258 4.332 -15.151 84 H GLN 12 H GLN 12 -2.144 4.076 -6.512 85 HA GLN 12 HA GLN 12 -1.900 6.533 -7.740 86 HB2 GLN 12 HB3 GLN 12 -1.242 5.789 -4.863 87 HB3 GLN 12 HB2 GLN 12 -1.419 7.456 -5.388 88 HG2 GLN 12 HG3 GLN 12 -3.634 5.353 -5.651 89 HG3 GLN 12 HG2 GLN 12 -3.528 6.506 -4.324 90 HE21 GLN 12 HE21 GLN 12 -5.175 6.071 -7.166 91 HE22 GLN 12 HE22 GLN 12 -5.410 7.693 -7.609 92 H GLY 13 H GLY 13 0.673 5.792 -5.378 93 HA2 GLY 13 HA3 GLY 13 2.958 6.129 -5.444 94 HA3 GLY 13 HA2 GLY 13 2.877 5.778 -7.165 95 H GLY 14 H GLY 14 0.880 8.319 -6.030 96 HA2 GLY 14 HA3 GLY 14 1.845 10.310 -7.720 97 HA3 GLY 14 HA2 GLY 14 0.903 10.611 -6.265 98 H GLY 15 H GLY 15 3.383 9.032 -5.027 99 HA2 GLY 15 HA3 GLY 15 5.656 9.532 -4.528 100 HA3 GLY 15 HA2 GLY 15 5.358 11.242 -4.828 101 H LYS 16 H LYS 16 3.664 12.218 -3.379 102 HA LYS 16 HA LYS 16 4.420 11.834 -0.623 103 HB2 LYS 16 HB3 LYS 16 2.267 13.566 -1.917 104 HB3 LYS 16 HB2 LYS 16 2.747 13.643 -0.215 105 HG2 LYS 16 HG3 LYS 16 5.053 14.279 -0.875 106 HG3 LYS 16 HG2 LYS 16 4.620 14.121 -2.582 107 HD2 LYS 16 HD3 LYS 16 4.609 16.498 -1.918 108 HD3 LYS 16 HD2 LYS 16 2.978 15.983 -2.339 109 HE2 LYS 16 HE3 LYS 16 2.296 15.978 -0.005 110 HE3 LYS 16 HE2 LYS 16 3.974 16.065 0.551 111 HZ1 LYS 16 HZ1 LYS 16 3.977 18.233 -0.837 112 HZ2 LYS 16 HZ2 LYS 16 3.284 18.231 0.716 113 HZ3 LYS 16 HZ3 LYS 16 2.292 18.148 -0.663 114 H LEU 17 H LEU 17 3.672 10.054 0.405 115 HA LEU 17 HA LEU 17 0.780 9.704 0.662 116 HB2 LEU 17 HB3 LEU 17 1.754 8.259 -1.347 117 HB3 LEU 17 HB2 LEU 17 2.484 7.278 -0.085 118 HG LEU 17 HG LEU 17 -0.009 7.178 0.905 119 HD11 LEU 17 HD11 LEU 17 -0.992 8.843 -0.653 120 HD12 LEU 17 HD12 LEU 17 -1.790 7.283 -0.771 121 HD13 LEU 17 HD13 LEU 17 -0.633 7.775 -2.009 122 HD21 LEU 17 HD21 LEU 17 -0.493 5.194 -0.789 123 HD22 LEU 17 HD22 LEU 17 0.918 5.119 0.241 124 HD23 LEU 17 HD23 LEU 17 1.095 5.577 -1.439 125 H ASN 18 H ASN 18 0.305 9.071 2.632 126 HA ASN 18 HA ASN 18 2.367 8.024 4.506 127 HB2 ASN 18 HB3 ASN 18 2.205 10.454 4.912 128 HB3 ASN 18 HB2 ASN 18 0.453 10.384 4.856 129 HD21 ASN 18 HD21 ASN 18 -0.658 9.847 6.757 130 HD22 ASN 18 HD22 ASN 18 0.099 9.444 8.216 131 H PHE 19 H PHE 19 1.525 6.578 5.948 132 HA PHE 19 HA PHE 19 -0.368 4.796 5.608 133 HB2 PHE 19 HB3 PHE 19 -0.583 4.444 8.037 134 HB3 PHE 19 HB2 PHE 19 1.091 4.785 7.590 135 HD1 PHE 19 HD1 PHE 19 -2.008 6.264 9.099 136 HD2 PHE 19 HD2 PHE 19 2.214 6.863 8.365 137 HE1 PHE 19 HE1 PHE 19 -2.023 8.251 10.584 138 HE2 PHE 19 HE2 PHE 19 2.181 8.844 9.861 139 HZ PHE 19 HZ PHE 19 0.066 9.542 10.962 140 H ASP 20 H ASP 20 -1.124 8.066 6.612 141 HA ASP 20 HA ASP 20 -3.922 7.622 7.267 142 HB2 ASP 20 HB3 ASP 20 -2.435 9.495 8.134 143 HB3 ASP 20 HB2 ASP 20 -2.515 10.238 6.541 144 H GLU 21 H GLU 21 -2.212 9.008 4.484 145 HA GLU 21 HA GLU 21 -4.407 9.744 2.906 146 HB2 GLU 21 HB3 GLU 21 -1.664 8.804 1.972 147 HB3 GLU 21 HB2 GLU 21 -2.813 9.661 0.941 148 HG2 GLU 21 HG3 GLU 21 -1.611 10.776 3.520 149 HG3 GLU 21 HG2 GLU 21 -1.050 11.179 1.897 150 H LEU 22 H LEU 22 -2.667 6.779 2.907 151 HA LEU 22 HA LEU 22 -4.377 5.487 0.870 152 HB2 LEU 22 HB3 LEU 22 -3.027 3.459 1.337 153 HB3 LEU 22 HB2 LEU 22 -2.062 4.870 0.950 154 HG LEU 22 HG LEU 22 -2.085 5.095 3.733 155 HD11 LEU 22 HD11 LEU 22 -1.715 2.120 3.383 156 HD12 LEU 22 HD12 LEU 22 -3.298 2.765 3.726 157 HD13 LEU 22 HD13 LEU 22 -2.008 3.071 4.847 158 HD21 LEU 22 HD21 LEU 22 0.267 4.014 3.605 159 HD22 LEU 22 HD22 LEU 22 -0.043 5.317 2.501 160 HD23 LEU 22 HD23 LEU 22 -0.083 3.655 1.930 161 H ARG 23 H ARG 23 -3.918 5.088 4.420 162 HA ARG 23 HA ARG 23 -5.743 2.976 4.763 163 HB2 ARG 23 HB3 ARG 23 -4.155 3.649 6.502 164 HB3 ARG 23 HB2 ARG 23 -5.017 5.170 6.728 165 HG2 ARG 23 HG3 ARG 23 -6.988 3.066 7.138 166 HG3 ARG 23 HG2 ARG 23 -5.538 2.559 7.987 167 HD2 ARG 23 HD3 ARG 23 -6.881 5.250 8.331 168 HD3 ARG 23 HD2 ARG 23 -7.057 3.891 9.448 169 HE ARG 23 HE ARG 23 -4.837 5.702 9.278 170 HH11 ARG 23 HH21 ARG 23 -5.623 2.361 9.940 171 HH12 ARG 23 HH22 ARG 23 -4.226 2.106 10.936 172 HH21 ARG 23 HH11 ARG 23 -3.028 5.332 10.562 173 HH22 ARG 23 HH12 ARG 23 -2.773 3.780 11.289 174 H GLN 24 H GLN 24 -6.327 6.451 5.164 175 HA GLN 24 HA GLN 24 -9.036 6.348 5.861 176 HB2 GLN 24 HB3 GLN 24 -7.452 8.456 4.361 177 HB3 GLN 24 HB2 GLN 24 -9.089 8.723 4.977 178 HG2 GLN 24 HG3 GLN 24 -8.320 8.185 7.275 179 HG3 GLN 24 HG2 GLN 24 -6.691 7.927 6.683 180 HE21 GLN 24 HE21 GLN 24 -8.623 10.243 8.119 181 HE22 GLN 24 HE22 GLN 24 -7.855 11.640 7.570 182 H ASP 25 H ASP 25 -7.525 6.155 2.649 183 HA ASP 25 HA ASP 25 -9.928 6.547 1.148 184 HB2 ASP 25 HB3 ASP 25 -7.116 5.526 0.580 185 HB3 ASP 25 HB2 ASP 25 -8.338 5.674 -0.673 186 H LEU 26 H LEU 26 -7.846 3.833 2.175 187 HA LEU 26 HA LEU 26 -9.313 1.739 0.881 188 HB2 LEU 26 HB3 LEU 26 -7.513 1.571 3.304 189 HB3 LEU 26 HB2 LEU 26 -8.130 0.161 2.442 190 HG LEU 26 HG LEU 26 -6.467 2.280 0.994 191 HD11 LEU 26 HD11 LEU 26 -5.442 -0.266 2.321 192 HD12 LEU 26 HD12 LEU 26 -5.103 1.370 2.860 193 HD13 LEU 26 HD13 LEU 26 -4.483 0.820 1.310 194 HD21 LEU 26 HD21 LEU 26 -6.003 0.396 -0.593 195 HD22 LEU 26 HD22 LEU 26 -7.706 0.780 -0.525 196 HD23 LEU 26 HD23 LEU 26 -7.091 -0.622 0.331 197 H LYS 27 H LYS 27 -9.817 3.275 3.916 198 HA LYS 27 HA LYS 27 -11.497 1.372 5.184 199 HB2 LYS 27 HB3 LYS 27 -10.567 3.419 6.245 200 HB3 LYS 27 HB2 LYS 27 -11.619 4.408 5.233 201 HG2 LYS 27 HG3 LYS 27 -13.630 3.498 6.306 202 HG3 LYS 27 HG2 LYS 27 -12.677 2.295 7.182 203 HD2 LYS 27 HD3 LYS 27 -13.324 4.188 8.658 204 HD3 LYS 27 HD2 LYS 27 -11.574 4.080 8.489 205 HE2 LYS 27 HE3 LYS 27 -11.488 6.039 7.065 206 HE3 LYS 27 HE2 LYS 27 -13.230 5.969 6.748 207 HZ1 LYS 27 HZ1 LYS 27 -13.717 6.940 8.694 208 HZ2 LYS 27 HZ2 LYS 27 -12.118 7.510 8.623 209 HZ3 LYS 27 HZ3 LYS 27 -12.493 6.131 9.544 210 H GLY 28 H GLY 28 -12.241 3.992 2.871 211 HA2 GLY 28 HA3 GLY 28 -15.052 3.668 2.710 212 HA3 GLY 28 HA2 GLY 28 -14.027 4.385 1.471 213 H LYS 29 H LYS 29 -12.399 2.021 1.024 214 HA LYS 29 HA LYS 29 -13.979 0.681 -0.957 215 HB2 LYS 29 HB3 LYS 29 -11.240 -0.102 0.140 216 HB3 LYS 29 HB2 LYS 29 -11.915 -0.522 -1.428 217 HG2 LYS 29 HG3 LYS 29 -11.232 2.311 -0.563 218 HG3 LYS 29 HG2 LYS 29 -10.201 1.297 -1.563 219 HD2 LYS 29 HD3 LYS 29 -12.018 1.202 -3.290 220 HD3 LYS 29 HD2 LYS 29 -13.002 2.283 -2.305 221 HE2 LYS 29 HE3 LYS 29 -11.835 3.586 -4.041 222 HE3 LYS 29 HE2 LYS 29 -11.200 4.022 -2.447 223 HZ1 LYS 29 HZ1 LYS 29 -9.991 1.948 -4.185 224 HZ2 LYS 29 HZ2 LYS 29 -9.334 2.632 -2.775 225 HZ3 LYS 29 HZ3 LYS 29 -9.493 3.569 -4.183 226 H GLY 30 H GLY 30 -14.116 0.327 2.215 227 HA2 GLY 30 HA3 GLY 30 -15.123 -1.204 3.608 228 HA3 GLY 30 HA2 GLY 30 -15.558 -2.132 2.175 229 H HIS 31 H HIS 31 -12.139 -1.371 2.678 230 HA HIS 31 HA HIS 31 -11.446 -4.144 2.761 231 HB2 HIS 31 HB3 HIS 31 -9.878 -1.555 3.113 232 HB3 HIS 31 HB2 HIS 31 -9.116 -3.142 3.233 233 HD2 HIS 31 HD2 HIS 31 -7.739 -2.956 0.789 234 HE1 HIS 31 HE1 HIS 31 -11.221 -2.830 -1.587 235 HE2 HIS 31 HE2 HIS 31 -8.674 -3.030 -1.640 236 H THR 32 H THR 32 -10.094 -5.064 4.438 237 HA THR 32 HA THR 32 -11.417 -4.697 7.080 238 HB THR 32 HB THR 32 -10.583 -6.933 7.593 239 HG1 THR 32 HG1 THR 32 -8.843 -7.537 6.662 240 HG21 THR 32 HG21 THR 32 -11.619 -6.877 4.720 241 HG22 THR 32 HG22 THR 32 -12.651 -6.757 6.146 242 HG23 THR 32 HG23 THR 32 -11.732 -8.231 5.840 243 H ASP 33 H ASP 33 -10.085 -4.883 9.012 244 HA ASP 33 HA ASP 33 -8.037 -2.925 9.070 245 HB2 ASP 33 HB3 ASP 33 -8.715 -5.122 11.073 246 HB3 ASP 33 HB2 ASP 33 -7.688 -3.728 11.418 247 H ALA 34 H ALA 34 -7.929 -6.490 8.999 248 HA ALA 34 HA ALA 34 -5.151 -6.822 9.345 249 HB1 ALA 34 HB1 ALA 34 -5.455 -9.036 8.270 250 HB2 ALA 34 HB2 ALA 34 -7.042 -8.534 7.676 251 HB3 ALA 34 HB3 ALA 34 -6.767 -8.707 9.406 252 H GLU 35 H GLU 35 -7.046 -6.507 6.204 253 HA GLU 35 HA GLU 35 -4.771 -6.584 4.553 254 HB2 GLU 35 HB3 GLU 35 -7.518 -5.329 4.172 255 HB3 GLU 35 HB2 GLU 35 -6.358 -5.541 2.858 256 HG2 GLU 35 HG3 GLU 35 -6.393 -7.999 3.215 257 HG3 GLU 35 HG2 GLU 35 -7.515 -7.807 4.546 258 H ILE 36 H ILE 36 -6.618 -3.866 5.817 259 HA ILE 36 HA ILE 36 -5.268 -1.782 4.540 260 HB ILE 36 HB ILE 36 -6.619 -1.809 7.264 261 HG12 ILE 36 HG13 ILE 36 -7.649 -0.616 4.651 262 HG13 ILE 36 HG12 ILE 36 -7.960 -2.266 5.087 263 HG21 ILE 36 HG21 ILE 36 -6.795 0.723 6.975 264 HG22 ILE 36 HG22 ILE 36 -5.601 0.625 5.686 265 HG23 ILE 36 HG23 ILE 36 -5.172 0.177 7.340 266 HD11 ILE 36 HD11 ILE 36 -8.769 0.126 6.761 267 HD12 ILE 36 HD12 ILE 36 -9.151 -1.572 7.092 268 HD13 ILE 36 HD13 ILE 36 -9.839 -0.769 5.678 269 H GLU 37 H GLU 37 -4.647 -3.052 7.862 270 HA GLU 37 HA GLU 37 -2.490 -1.463 8.471 271 HB2 GLU 37 HB3 GLU 37 -2.133 -2.819 10.381 272 HB3 GLU 37 HB2 GLU 37 -3.864 -2.787 10.081 273 HG2 GLU 37 HG3 GLU 37 -3.568 -5.032 8.917 274 HG3 GLU 37 HG2 GLU 37 -1.935 -5.089 9.519 275 H ALA 38 H ALA 38 -2.659 -4.690 7.046 276 HA ALA 38 HA ALA 38 0.098 -5.305 7.067 277 HB1 ALA 38 HB1 ALA 38 -2.155 -6.235 5.237 278 HB2 ALA 38 HB2 ALA 38 -1.667 -6.999 6.748 279 HB3 ALA 38 HB3 ALA 38 -0.576 -7.020 5.366 280 H ILE 39 H ILE 39 -2.009 -3.930 4.520 281 HA ILE 39 HA ILE 39 -0.073 -3.855 2.450 282 HB ILE 39 HB ILE 39 -2.730 -2.488 2.904 283 HG12 ILE 39 HG13 ILE 39 -3.120 -3.163 0.447 284 HG13 ILE 39 HG12 ILE 39 -1.496 -3.854 0.456 285 HG21 ILE 39 HG21 ILE 39 -1.557 -0.395 2.258 286 HG22 ILE 39 HG22 ILE 39 -2.583 -0.921 0.942 287 HG23 ILE 39 HG23 ILE 39 -0.835 -1.208 0.853 288 HD11 ILE 39 HD11 ILE 39 -2.317 -5.253 2.519 289 HD12 ILE 39 HD12 ILE 39 -2.933 -5.686 0.917 290 HD13 ILE 39 HD13 ILE 39 -3.933 -4.740 2.008 291 H PHE 40 H PHE 40 -0.905 -1.277 4.760 292 HA PHE 40 HA PHE 40 1.017 0.548 3.624 293 HB2 PHE 40 HB3 PHE 40 0.158 2.119 5.042 294 HB3 PHE 40 HB2 PHE 40 -1.105 0.923 5.303 295 HD1 PHE 40 HD2 PHE 40 -1.155 -0.405 7.299 296 HD2 PHE 40 HD1 PHE 40 1.897 2.539 6.777 297 HE1 PHE 40 HE2 PHE 40 -0.542 -0.695 9.668 298 HE2 PHE 40 HE1 PHE 40 2.541 2.290 9.140 299 HZ PHE 40 HZ PHE 40 1.350 0.652 10.606 300 H THR 41 H THR 41 1.027 -1.719 6.305 301 HA THR 41 HA THR 41 3.413 -0.981 7.523 302 HB THR 41 HB THR 41 1.886 -3.583 7.328 303 HG1 THR 41 HG1 THR 41 2.196 -1.487 9.187 304 HG21 THR 41 HG21 THR 41 4.418 -3.008 8.891 305 HG22 THR 41 HG22 THR 41 4.071 -4.389 7.852 306 HG23 THR 41 HG23 THR 41 3.250 -4.220 9.400 307 H LYS 42 H LYS 42 2.834 -3.298 4.914 308 HA LYS 42 HA LYS 42 5.562 -4.155 4.640 309 HB2 LYS 42 HB3 LYS 42 3.112 -4.202 2.833 310 HB3 LYS 42 HB2 LYS 42 4.645 -4.935 2.336 311 HG2 LYS 42 HG3 LYS 42 4.584 -6.415 4.346 312 HG3 LYS 42 HG2 LYS 42 3.062 -5.693 4.844 313 HD2 LYS 42 HD3 LYS 42 1.984 -6.505 2.740 314 HD3 LYS 42 HD2 LYS 42 3.516 -7.223 2.240 315 HE2 LYS 42 HE3 LYS 42 3.474 -8.707 4.245 316 HE3 LYS 42 HE2 LYS 42 1.926 -8.003 4.725 317 HZ1 LYS 42 HZ1 LYS 42 2.184 -9.046 2.006 318 HZ2 LYS 42 HZ2 LYS 42 0.831 -9.013 3.034 319 HZ3 LYS 42 HZ3 LYS 42 2.056 -10.165 3.274 320 H TYR 43 H TYR 43 3.577 -1.838 2.768 321 HA TYR 43 HA TYR 43 5.754 -0.994 1.129 322 HB2 TYR 43 HB3 TYR 43 3.010 0.139 1.646 323 HB3 TYR 43 HB2 TYR 43 4.161 1.044 0.677 324 HD1 TYR 43 HD2 TYR 43 2.804 -2.473 0.948 325 HD2 TYR 43 HD1 TYR 43 4.155 0.671 -1.697 326 HE1 TYR 43 HE2 TYR 43 2.158 -3.817 -1.013 327 HE2 TYR 43 HE1 TYR 43 3.536 -0.734 -3.636 328 HH TYR 43 HH TYR 43 1.687 -2.658 -3.916 329 H ASP 44 H ASP 44 4.545 0.170 4.212 330 HA ASP 44 HA ASP 44 6.500 2.407 4.226 331 HB2 ASP 44 HB3 ASP 44 4.267 1.874 6.260 332 HB3 ASP 44 HB2 ASP 44 5.116 3.346 5.898 333 H GLN 45 H GLN 45 8.460 1.514 4.950 334 HA GLN 45 HA GLN 45 8.695 -0.740 6.654 335 HB2 GLN 45 HB3 GLN 45 10.550 1.542 5.876 336 HB3 GLN 45 HB2 GLN 45 11.107 0.332 7.030 337 HG2 GLN 45 HG3 GLN 45 11.808 -0.223 4.694 338 HG3 GLN 45 HG2 GLN 45 10.744 -1.460 5.365 339 HE21 GLN 45 HE21 GLN 45 8.371 -1.274 4.691 340 HE22 GLN 45 HE22 GLN 45 8.033 -0.671 3.140 341 H ASP 46 H ASP 46 9.078 2.829 7.617 342 HA ASP 46 HA ASP 46 8.671 2.040 10.455 343 HB2 ASP 46 HB3 ASP 46 9.859 4.541 9.170 344 HB3 ASP 46 HB2 ASP 46 9.795 4.201 10.901 345 H GLY 47 H GLY 47 6.944 3.202 7.800 346 HA2 GLY 47 HA3 GLY 47 5.076 4.597 7.535 347 HA3 GLY 47 HA2 GLY 47 4.529 3.802 8.990 348 H ASP 48 H ASP 48 7.270 5.988 8.586 349 HA ASP 48 HA ASP 48 6.027 8.024 10.399 350 HB2 ASP 48 HB3 ASP 48 7.986 6.740 11.319 351 HB3 ASP 48 HB2 ASP 48 8.985 7.353 10.005 352 H GLN 49 H GLN 49 7.478 7.479 7.299 353 HA GLN 49 HA GLN 49 7.419 10.399 6.648 354 HB2 GLN 49 HB3 GLN 49 9.437 10.056 5.219 355 HB3 GLN 49 HB2 GLN 49 9.788 9.760 6.917 356 HG2 GLN 49 HG3 GLN 49 9.210 7.533 4.890 357 HG3 GLN 49 HG2 GLN 49 10.821 8.048 5.368 358 HE21 GLN 49 HE21 GLN 49 8.384 5.789 6.129 359 HE22 GLN 49 HE22 GLN 49 8.938 5.364 7.674 360 H GLU 50 H GLU 50 7.641 10.641 4.190 361 HA GLU 50 HA GLU 50 5.390 9.379 2.989 362 HB2 GLU 50 HB3 GLU 50 7.435 11.335 1.872 363 HB3 GLU 50 HB2 GLU 50 5.935 10.858 1.072 364 HG2 GLU 50 HG3 GLU 50 4.621 11.784 2.999 365 HG3 GLU 50 HG2 GLU 50 6.127 12.290 3.765 366 H LEU 51 H LEU 51 5.395 8.093 1.195 367 HA LEU 51 HA LEU 51 7.714 6.278 0.947 368 HB2 LEU 51 HB3 LEU 51 5.047 6.035 -0.522 369 HB3 LEU 51 HB2 LEU 51 6.189 4.751 -0.106 370 HG LEU 51 HG LEU 51 4.433 6.335 1.840 371 HD11 LEU 51 HD11 LEU 51 4.371 3.376 1.211 372 HD12 LEU 51 HD12 LEU 51 3.309 4.546 0.446 373 HD13 LEU 51 HD13 LEU 51 3.222 4.288 2.176 374 HD21 LEU 51 HD21 LEU 51 5.362 4.704 3.591 375 HD22 LEU 51 HD22 LEU 51 6.488 5.920 3.041 376 HD23 LEU 51 HD23 LEU 51 6.613 4.271 2.427 377 H THR 52 H THR 52 9.190 6.667 -0.519 378 HA THR 52 HA THR 52 8.853 8.452 -2.737 379 HB THR 52 HB THR 52 10.949 8.431 -1.445 380 HG1 THR 52 HG1 THR 52 11.379 9.024 -3.439 381 HG21 THR 52 HG21 THR 52 12.500 6.505 -1.532 382 HG22 THR 52 HG22 THR 52 11.312 5.570 -2.436 383 HG23 THR 52 HG23 THR 52 10.981 6.033 -0.768 384 H GLU 53 H GLU 53 10.087 7.602 -4.643 385 HA GLU 53 HA GLU 53 8.208 5.907 -5.976 386 HB2 GLU 53 HB3 GLU 53 10.905 6.934 -6.957 387 HB3 GLU 53 HB2 GLU 53 9.677 6.166 -7.971 388 HG2 GLU 53 HG3 GLU 53 8.074 7.998 -7.397 389 HG3 GLU 53 HG2 GLU 53 9.318 8.770 -6.413 390 H HIS 54 H HIS 54 11.715 5.511 -5.465 391 HA HIS 54 HA HIS 54 11.922 2.943 -6.497 392 HB2 HIS 54 HB3 HIS 54 13.906 4.310 -5.861 393 HB3 HIS 54 HB2 HIS 54 13.558 4.033 -4.158 394 HD2 HIS 54 HD2 HIS 54 14.482 1.568 -3.168 395 HE1 HIS 54 HE1 HIS 54 15.702 -0.074 -6.863 396 HE2 HIS 54 HE2 HIS 54 15.683 -0.429 -4.348 397 H GLU 55 H GLU 55 11.450 3.711 -2.962 398 HA GLU 55 HA GLU 55 11.121 1.122 -2.060 399 HB2 GLU 55 HB3 GLU 55 11.329 3.194 -0.674 400 HB3 GLU 55 HB2 GLU 55 9.691 3.653 -1.128 401 HG2 GLU 55 HG3 GLU 55 8.814 1.573 -0.037 402 HG3 GLU 55 HG2 GLU 55 10.455 1.126 0.414 403 H HIS 56 H HIS 56 8.573 3.400 -3.170 404 HA HIS 56 HA HIS 56 6.399 1.624 -2.850 405 HB2 HIS 56 HB3 HIS 56 6.177 4.097 -3.088 406 HB3 HIS 56 HB2 HIS 56 6.639 3.978 -4.784 407 HD2 HIS 56 HD2 HIS 56 4.677 2.362 -6.349 408 HE1 HIS 56 HE1 HIS 56 1.619 2.900 -3.499 409 HE2 HIS 56 HE2 HIS 56 2.132 2.074 -5.846 410 H GLN 57 H GLN 57 8.227 2.457 -5.887 411 HA GLN 57 HA GLN 57 6.793 0.750 -7.603 412 HB2 GLN 57 HB3 GLN 57 9.431 2.167 -7.702 413 HB3 GLN 57 HB2 GLN 57 9.239 0.861 -8.850 414 HG2 GLN 57 HG3 GLN 57 8.542 3.139 -9.727 415 HG3 GLN 57 HG2 GLN 57 7.310 1.905 -9.861 416 HE21 GLN 57 HE21 GLN 57 8.121 3.750 -6.956 417 HE22 GLN 57 HE22 GLN 57 6.632 4.516 -6.798 418 H GLN 58 H GLN 58 9.580 0.054 -5.506 419 HA GLN 58 HA GLN 58 10.161 -2.518 -6.596 420 HB2 GLN 58 HB3 GLN 58 11.660 -1.137 -5.088 421 HB3 GLN 58 HB2 GLN 58 10.623 -1.565 -3.728 422 HG2 GLN 58 HG3 GLN 58 11.108 -4.008 -4.194 423 HG3 GLN 58 HG2 GLN 58 12.188 -3.519 -5.490 424 HE21 GLN 58 HE21 GLN 58 14.347 -3.409 -4.842 425 HE22 GLN 58 HE22 GLN 58 14.877 -3.105 -3.259 426 H MET 59 H MET 59 8.329 -1.574 -3.611 427 HA MET 59 HA MET 59 7.356 -4.147 -2.992 428 HB2 MET 59 HB3 MET 59 6.135 -1.432 -2.361 429 HB3 MET 59 HB2 MET 59 5.762 -2.940 -1.516 430 HG2 MET 59 HG3 MET 59 8.542 -1.730 -1.656 431 HG3 MET 59 HG2 MET 59 7.459 -1.458 -0.336 432 HE1 MET 59 HE1 MET 59 9.693 -3.893 -2.209 433 HE2 MET 59 HE2 MET 59 10.259 -4.918 -0.887 434 HE3 MET 59 HE3 MET 59 10.535 -3.177 -0.831 435 H ARG 60 H ARG 60 6.149 -1.580 -5.066 436 HA ARG 60 HA ARG 60 3.533 -2.570 -5.510 437 HB2 ARG 60 HB3 ARG 60 4.360 -0.367 -6.293 438 HB3 ARG 60 HB2 ARG 60 5.372 -1.194 -7.472 439 HG2 ARG 60 HG3 ARG 60 3.334 -2.145 -8.549 440 HG3 ARG 60 HG2 ARG 60 2.338 -1.316 -7.359 441 HD2 ARG 60 HD3 ARG 60 4.233 0.108 -9.247 442 HD3 ARG 60 HD2 ARG 60 2.511 -0.141 -9.583 443 HE ARG 60 HE ARG 60 2.930 1.038 -7.007 444 HH11 ARG 60 HH21 ARG 60 2.882 1.747 -10.417 445 HH12 ARG 60 HH22 ARG 60 2.474 3.418 -10.199 446 HH21 ARG 60 HH11 ARG 60 2.371 3.229 -6.749 447 HH22 ARG 60 HH12 ARG 60 2.188 4.246 -8.136 448 H ASP 61 H ASP 61 6.528 -3.231 -7.439 449 HA ASP 61 HA ASP 61 5.363 -5.080 -9.201 450 HB2 ASP 61 HB3 ASP 61 7.587 -4.011 -9.546 451 HB3 ASP 61 HB2 ASP 61 8.250 -4.951 -8.214 452 H ASP 62 H ASP 62 6.730 -5.512 -5.996 453 HA ASP 62 HA ASP 62 6.863 -8.354 -5.960 454 HB2 ASP 62 HB3 ASP 62 6.601 -6.402 -3.626 455 HB3 ASP 62 HB2 ASP 62 7.130 -8.079 -3.514 456 H LEU 63 H LEU 63 4.426 -5.981 -4.843 457 HA LEU 63 HA LEU 63 2.644 -7.827 -3.701 458 HB2 LEU 63 HB3 LEU 63 2.471 -5.420 -3.328 459 HB3 LEU 63 HB2 LEU 63 2.101 -5.141 -5.029 460 HG LEU 63 HG LEU 63 -0.056 -6.431 -4.730 461 HD11 LEU 63 HD11 LEU 63 0.367 -7.974 -2.979 462 HD12 LEU 63 HD12 LEU 63 -0.780 -6.853 -2.270 463 HD13 LEU 63 HD13 LEU 63 0.937 -6.730 -1.870 464 HD21 LEU 63 HD21 LEU 63 -0.045 -3.980 -4.486 465 HD22 LEU 63 HD22 LEU 63 0.296 -4.144 -2.762 466 HD23 LEU 63 HD23 LEU 63 -1.241 -4.714 -3.415 467 H GLU 64 H GLU 64 2.719 -6.453 -7.045 468 HA GLU 64 HA GLU 64 0.419 -7.761 -8.015 469 HB2 GLU 64 HB3 GLU 64 2.999 -6.936 -9.394 470 HB3 GLU 64 HB2 GLU 64 1.569 -7.443 -10.290 471 HG2 GLU 64 HG3 GLU 64 1.645 -5.073 -8.348 472 HG3 GLU 64 HG2 GLU 64 1.764 -4.928 -10.098 473 H LYS 65 H LYS 65 3.789 -8.864 -8.028 474 HA LYS 65 HA LYS 65 3.446 -11.364 -9.296 475 HB2 LYS 65 HB3 LYS 65 5.443 -10.312 -7.248 476 HB3 LYS 65 HB2 LYS 65 5.592 -11.917 -7.971 477 HG2 LYS 65 HG3 LYS 65 5.760 -10.912 -10.226 478 HG3 LYS 65 HG2 LYS 65 5.491 -9.312 -9.560 479 HD2 LYS 65 HD3 LYS 65 7.905 -9.648 -9.992 480 HD3 LYS 65 HD2 LYS 65 7.622 -9.485 -8.261 481 HE2 LYS 65 HE3 LYS 65 7.963 -11.868 -7.905 482 HE3 LYS 65 HE2 LYS 65 7.840 -12.207 -9.636 483 HZ1 LYS 65 HZ1 LYS 65 10.128 -11.810 -8.263 484 HZ2 LYS 65 HZ2 LYS 65 9.863 -10.283 -8.958 485 HZ3 LYS 65 HZ3 LYS 65 9.961 -11.662 -9.945 486 H GLU 66 H GLU 66 3.201 -10.478 -5.852 487 HA GLU 66 HA GLU 66 2.775 -13.158 -4.854 488 HB2 GLU 66 HB3 GLU 66 2.258 -10.395 -3.688 489 HB3 GLU 66 HB2 GLU 66 1.971 -11.872 -2.775 490 HG2 GLU 66 HG3 GLU 66 4.352 -12.500 -2.978 491 HG3 GLU 66 HG2 GLU 66 4.673 -11.089 -3.958 492 H ARG 67 H ARG 67 0.607 -10.440 -5.734 493 HA ARG 67 HA ARG 67 -1.837 -11.454 -4.906 494 HB2 ARG 67 HB3 ARG 67 -1.095 -9.662 -7.224 495 HB3 ARG 67 HB2 ARG 67 -2.777 -10.130 -7.004 496 HG2 ARG 67 HG3 ARG 67 -2.756 -9.149 -4.715 497 HG3 ARG 67 HG2 ARG 67 -1.074 -8.698 -4.909 498 HD2 ARG 67 HD3 ARG 67 -2.567 -6.746 -5.360 499 HD3 ARG 67 HD2 ARG 67 -1.685 -7.210 -6.814 500 HE ARG 67 HE ARG 67 -3.691 -7.804 -7.803 501 HH11 ARG 67 HH21 ARG 67 -4.147 -7.690 -4.347 502 HH12 ARG 67 HH22 ARG 67 -5.858 -7.937 -4.441 503 HH21 ARG 67 HH11 ARG 67 -5.917 -8.158 -7.898 504 HH22 ARG 67 HH12 ARG 67 -6.855 -8.198 -6.443 505 H GLU 68 H GLU 68 -0.044 -12.245 -7.838 506 HA GLU 68 HA GLU 68 -2.002 -13.818 -9.187 507 HB2 GLU 68 HB3 GLU 68 1.035 -14.091 -9.133 508 HB3 GLU 68 HB2 GLU 68 -0.004 -14.913 -10.297 509 HG2 GLU 68 HG3 GLU 68 -0.821 -12.723 -11.127 510 HG3 GLU 68 HG2 GLU 68 0.175 -11.898 -9.949 511 H ASP 69 H ASP 69 0.779 -15.110 -7.319 512 HA ASP 69 HA ASP 69 -0.076 -17.744 -7.115 513 HB2 ASP 69 HB3 ASP 69 2.204 -16.969 -6.467 514 HB3 ASP 69 HB2 ASP 69 1.536 -16.188 -5.039 515 H LEU 70 H LEU 70 -0.824 -15.015 -5.002 516 HA LEU 70 HA LEU 70 -2.282 -16.458 -2.993 517 HB2 LEU 70 HB3 LEU 70 -2.289 -13.564 -3.835 518 HB3 LEU 70 HB2 LEU 70 -3.147 -14.117 -2.407 519 HG LEU 70 HG LEU 70 -0.116 -14.488 -2.774 520 HD11 LEU 70 HD11 LEU 70 -1.590 -12.262 -1.291 521 HD12 LEU 70 HD12 LEU 70 -0.608 -12.066 -2.740 522 HD13 LEU 70 HD13 LEU 70 0.153 -12.535 -1.222 523 HD21 LEU 70 HD21 LEU 70 -1.911 -14.679 -0.322 524 HD22 LEU 70 HD22 LEU 70 -0.149 -14.764 -0.265 525 HD23 LEU 70 HD23 LEU 70 -1.058 -16.016 -1.085 526 H ASP 71 H ASP 71 -3.268 -14.844 -5.989 527 HA ASP 71 HA ASP 71 -6.073 -14.967 -5.619 528 HB2 ASP 71 HB3 ASP 71 -5.006 -13.614 -7.417 529 HB3 ASP 71 HB2 ASP 71 -4.503 -15.087 -8.237 530 H LEU 72 H LEU 72 -3.819 -17.268 -7.159 531 HA LEU 72 HA LEU 72 -5.702 -19.258 -7.897 532 HB2 LEU 72 HB3 LEU 72 -2.732 -19.348 -7.276 533 HB3 LEU 72 HB2 LEU 72 -3.586 -20.711 -8.002 534 HG LEU 72 HG LEU 72 -3.459 -17.925 -9.298 535 HD11 LEU 72 HD11 LEU 72 -1.169 -18.849 -9.153 536 HD12 LEU 72 HD12 LEU 72 -1.720 -18.881 -10.826 537 HD13 LEU 72 HD13 LEU 72 -1.712 -20.367 -9.872 538 HD21 LEU 72 HD21 LEU 72 -4.090 -19.198 -11.398 539 HD22 LEU 72 HD22 LEU 72 -5.341 -19.291 -10.177 540 HD23 LEU 72 HD23 LEU 72 -4.263 -20.660 -10.423 541 H ASP 73 H ASP 73 -3.712 -18.824 -4.978 542 HA ASP 73 HA ASP 73 -4.482 -21.253 -3.671 543 HB2 ASP 73 HB3 ASP 73 -3.491 -18.616 -2.480 544 HB3 ASP 73 HB2 ASP 73 -3.522 -20.170 -1.649 545 H HIS 74 H HIS 74 -6.637 -21.631 -3.408 546 HA HIS 74 HA HIS 74 -8.635 -19.613 -2.906 547 HB2 HIS 74 HB3 HIS 74 -8.780 -22.653 -2.588 548 HB3 HIS 74 HB2 HIS 74 -10.162 -21.555 -2.671 549 HD2 HIS 74 HD2 HIS 74 -10.633 -20.455 -5.288 550 HE1 HIS 74 HE1 HIS 74 -7.904 -22.999 -7.262 551 HE2 HIS 74 HE2 HIS 74 -9.777 -21.317 -7.599 552 H SER 75 H SER 75 -6.392 -21.357 -0.970 553 HA SER 75 HA SER 75 -7.755 -21.551 1.495 554 HB2 SER 75 HB3 SER 75 -4.779 -21.130 0.978 555 HB3 SER 75 HB2 SER 75 -5.479 -21.654 2.512 556 HG SER 75 HG SER 75 -5.047 -23.524 1.542 557 H SER 76 H SER 76 -8.095 -20.091 3.135 558 HA SER 76 HA SER 76 -8.233 -17.316 2.600 559 HB2 SER 76 HB3 SER 76 -9.637 -18.442 4.309 560 HB3 SER 76 HB2 SER 76 -8.207 -18.764 5.285 561 HG SER 76 HG SER 76 -8.967 -16.164 4.432 562 H LEU 77 H LEU 77 -5.886 -19.299 4.372 563 HA LEU 77 HA LEU 77 -4.322 -17.143 5.317 564 HB2 LEU 77 HB3 LEU 77 -3.497 -20.044 4.941 565 HB3 LEU 77 HB2 LEU 77 -2.688 -18.859 5.977 566 HG LEU 77 HG LEU 77 -5.547 -19.895 6.348 567 HD11 LEU 77 HD11 LEU 77 -4.639 -21.033 8.370 568 HD12 LEU 77 HD12 LEU 77 -3.026 -20.436 7.983 569 HD13 LEU 77 HD13 LEU 77 -3.819 -21.591 6.910 570 HD21 LEU 77 HD21 LEU 77 -3.945 -17.809 7.908 571 HD22 LEU 77 HD22 LEU 77 -5.276 -18.690 8.665 572 HD23 LEU 77 HD23 LEU 77 -5.583 -17.681 7.266 573 HA PRO 78 HA PRO 78 -1.833 -15.875 1.769 574 HB2 PRO 78 HB3 PRO 78 0.542 -16.284 3.639 575 HB3 PRO 78 HB2 PRO 78 0.249 -14.933 2.511 576 HG2 PRO 78 HG3 PRO 78 -0.275 -14.611 5.109 577 HG3 PRO 78 HG2 PRO 78 -1.413 -13.980 3.895 578 HD2 PRO 78 HD2 PRO 78 -1.721 -16.443 5.648 579 HD3 PRO 78 HD3 PRO 78 -2.953 -15.312 5.043 Start of MODEL 6 1 H1 ASN 1 1H ASN 1 -7.973 -11.161 -7.800 2 H2 ASN 1 2H ASN 1 -8.778 -10.778 -6.353 3 H3 ASN 1 3H ASN 1 -8.837 -9.707 -7.671 4 HA ASN 1 HA ASN 1 -9.853 -12.457 -7.958 5 HB2 ASN 1 HB3 ASN 1 -11.407 -10.062 -6.861 6 HB3 ASN 1 HB2 ASN 1 -12.098 -11.639 -7.249 7 HD21 ASN 1 HD21 ASN 1 -9.930 -13.260 -6.174 8 HD22 ASN 1 HD22 ASN 1 -9.949 -13.074 -4.487 9 H THR 2 H THR 2 -12.156 -11.794 -9.271 10 HA THR 2 HA THR 2 -11.258 -11.031 -11.858 11 HB THR 2 HB THR 2 -14.143 -11.083 -10.843 12 HG1 THR 2 HG1 THR 2 -12.286 -13.070 -11.280 13 HG21 THR 2 HG21 THR 2 -14.653 -11.698 -13.201 14 HG22 THR 2 HG22 THR 2 -12.948 -11.559 -13.616 15 HG23 THR 2 HG23 THR 2 -13.859 -10.125 -13.136 16 H VAL 3 H VAL 3 -13.221 -9.294 -9.420 17 HA VAL 3 HA VAL 3 -13.635 -6.924 -10.914 18 HB VAL 3 HB VAL 3 -13.481 -7.254 -7.875 19 HG11 VAL 3 HG11 VAL 3 -14.825 -5.114 -9.602 20 HG12 VAL 3 HG12 VAL 3 -13.453 -4.855 -8.524 21 HG13 VAL 3 HG13 VAL 3 -15.029 -5.257 -7.855 22 HG21 VAL 3 HG21 VAL 3 -15.962 -7.553 -8.015 23 HG22 VAL 3 HG22 VAL 3 -15.114 -8.834 -8.878 24 HG23 VAL 3 HG23 VAL 3 -15.861 -7.513 -9.777 25 H ASP 4 H ASP 4 -11.158 -7.773 -8.474 26 HA ASP 4 HA ASP 4 -9.151 -6.821 -7.912 27 HB2 ASP 4 HB3 ASP 4 -8.641 -7.659 -10.214 28 HB3 ASP 4 HB2 ASP 4 -9.111 -6.099 -10.880 29 H ASP 5 H ASP 5 -9.715 -5.130 -6.532 30 HA ASP 5 HA ASP 5 -9.479 -2.403 -7.602 31 HB2 ASP 5 HB3 ASP 5 -11.612 -1.669 -6.545 32 HB3 ASP 5 HB2 ASP 5 -11.902 -2.883 -7.793 33 H ILE 6 H ILE 6 -7.887 -4.146 -5.849 34 HA ILE 6 HA ILE 6 -8.088 -2.835 -3.184 35 HB ILE 6 HB ILE 6 -6.375 -5.195 -4.097 36 HG12 ILE 6 HG13 ILE 6 -8.950 -5.219 -2.422 37 HG13 ILE 6 HG12 ILE 6 -8.900 -5.638 -4.130 38 HG21 ILE 6 HG21 ILE 6 -5.410 -4.008 -2.115 39 HG22 ILE 6 HG22 ILE 6 -6.064 -5.549 -1.608 40 HG23 ILE 6 HG23 ILE 6 -6.976 -4.074 -1.303 41 HD11 ILE 6 HD11 ILE 6 -8.850 -7.663 -2.768 42 HD12 ILE 6 HD12 ILE 6 -7.411 -7.107 -1.922 43 HD13 ILE 6 HD13 ILE 6 -7.333 -7.492 -3.642 44 H SER 7 H SER 7 -5.886 -3.343 -5.924 45 HA SER 7 HA SER 7 -3.693 -1.863 -4.800 46 HB2 SER 7 HB3 SER 7 -4.248 -2.640 -7.686 47 HB3 SER 7 HB2 SER 7 -2.700 -2.066 -7.061 48 HG SER 7 HG SER 7 -3.559 -4.525 -7.118 49 H GLU 8 H GLU 8 -6.576 -0.655 -5.395 50 HA GLU 8 HA GLU 8 -6.232 1.536 -7.171 51 HB2 GLU 8 HB3 GLU 8 -8.047 1.162 -4.751 52 HB3 GLU 8 HB2 GLU 8 -8.230 2.490 -5.899 53 HG2 GLU 8 HG3 GLU 8 -8.349 -0.457 -6.662 54 HG3 GLU 8 HG2 GLU 8 -9.776 0.528 -6.361 55 H SER 9 H SER 9 -5.735 1.249 -3.650 56 HA SER 9 HA SER 9 -5.034 3.998 -3.222 57 HB2 SER 9 HB3 SER 9 -4.359 3.264 -1.020 58 HB3 SER 9 HB2 SER 9 -5.766 2.317 -1.487 59 HG SER 9 HG SER 9 -3.144 1.556 -1.103 60 H LEU 10 H LEU 10 -3.122 1.010 -3.703 61 HA LEU 10 HA LEU 10 -0.549 2.200 -3.539 62 HB2 LEU 10 HB3 LEU 10 -1.402 -0.211 -5.192 63 HB3 LEU 10 HB2 LEU 10 0.239 0.141 -4.638 64 HG LEU 10 HG LEU 10 -2.155 -0.421 -2.798 65 HD11 LEU 10 HD11 LEU 10 0.214 -2.166 -3.527 66 HD12 LEU 10 HD12 LEU 10 -1.446 -2.434 -4.016 67 HD13 LEU 10 HD13 LEU 10 -1.010 -2.559 -2.318 68 HD21 LEU 10 HD21 LEU 10 -0.130 -0.681 -1.104 69 HD22 LEU 10 HD22 LEU 10 -0.707 0.921 -1.483 70 HD23 LEU 10 HD23 LEU 10 0.761 0.303 -2.242 71 H ARG 11 H ARG 11 -2.850 2.044 -6.173 72 HA ARG 11 HA ARG 11 -1.150 2.570 -8.341 73 HB2 ARG 11 HB3 ARG 11 -3.618 1.937 -8.420 74 HB3 ARG 11 HB2 ARG 11 -4.005 3.607 -8.020 75 HG2 ARG 11 HG3 ARG 11 -2.780 4.369 -10.080 76 HG3 ARG 11 HG2 ARG 11 -2.443 2.685 -10.482 77 HD2 ARG 11 HD3 ARG 11 -5.233 3.885 -10.196 78 HD3 ARG 11 HD2 ARG 11 -4.428 3.568 -11.733 79 HE ARG 11 HE ARG 11 -5.728 1.632 -10.037 80 HH11 ARG 11 HH21 ARG 11 -3.133 2.059 -12.317 81 HH12 ARG 11 HH22 ARG 11 -3.110 0.394 -12.794 82 HH21 ARG 11 HH11 ARG 11 -5.673 -0.535 -10.659 83 HH22 ARG 11 HH12 ARG 11 -4.545 -1.065 -11.860 84 H GLN 12 H GLN 12 -2.343 4.649 -5.809 85 HA GLN 12 HA GLN 12 -2.066 7.195 -6.944 86 HB2 GLN 12 HB3 GLN 12 -1.479 6.301 -4.092 87 HB3 GLN 12 HB2 GLN 12 -1.662 7.983 -4.590 88 HG2 GLN 12 HG3 GLN 12 -3.993 7.569 -5.276 89 HG3 GLN 12 HG2 GLN 12 -3.836 5.861 -4.877 90 HE21 GLN 12 HE21 GLN 12 -3.745 5.271 -2.578 91 HE22 GLN 12 HE22 GLN 12 -4.205 6.373 -1.373 92 H GLY 13 H GLY 13 0.364 6.522 -4.470 93 HA2 GLY 13 HA3 GLY 13 2.645 6.803 -4.439 94 HA3 GLY 13 HA2 GLY 13 2.650 6.187 -6.087 95 H GLY 14 H GLY 14 0.700 8.941 -5.471 96 HA2 GLY 14 HA3 GLY 14 2.013 10.613 -7.353 97 HA3 GLY 14 HA2 GLY 14 0.737 11.096 -6.241 98 H GLY 15 H GLY 15 4.094 9.982 -5.816 99 HA2 GLY 15 HA3 GLY 15 5.928 10.891 -4.815 100 HA3 GLY 15 HA2 GLY 15 5.172 12.469 -4.978 101 H LYS 16 H LYS 16 3.225 12.707 -3.407 102 HA LYS 16 HA LYS 16 4.245 12.257 -0.675 103 HB2 LYS 16 HB3 LYS 16 1.873 13.827 -1.780 104 HB3 LYS 16 HB2 LYS 16 2.315 13.797 -0.067 105 HG2 LYS 16 HG3 LYS 16 4.277 14.707 -2.245 106 HG3 LYS 16 HG2 LYS 16 3.177 15.828 -1.444 107 HD2 LYS 16 HD3 LYS 16 4.158 15.345 0.758 108 HD3 LYS 16 HD2 LYS 16 5.172 14.088 0.093 109 HE2 LYS 16 HE3 LYS 16 6.388 15.686 -1.258 110 HE3 LYS 16 HE2 LYS 16 5.348 16.999 -0.685 111 HZ1 LYS 16 HZ1 LYS 16 7.647 16.077 0.506 112 HZ2 LYS 16 HZ2 LYS 16 6.387 15.485 1.480 113 HZ3 LYS 16 HZ3 LYS 16 6.517 17.151 1.176 114 H LEU 17 H LEU 17 3.827 10.267 0.086 115 HA LEU 17 HA LEU 17 0.999 9.447 0.260 116 HB2 LEU 17 HB3 LEU 17 3.147 8.011 -1.257 117 HB3 LEU 17 HB2 LEU 17 2.357 6.969 -0.093 118 HG LEU 17 HG LEU 17 1.243 6.762 -2.265 119 HD11 LEU 17 HD11 LEU 17 -0.142 6.917 0.024 120 HD12 LEU 17 HD12 LEU 17 -0.934 6.795 -1.543 121 HD13 LEU 17 HD13 LEU 17 -0.828 8.348 -0.756 122 HD21 LEU 17 HD21 LEU 17 1.839 9.341 -2.869 123 HD22 LEU 17 HD22 LEU 17 0.174 9.569 -2.323 124 HD23 LEU 17 HD23 LEU 17 0.533 8.470 -3.612 125 H ASN 18 H ASN 18 0.492 9.008 2.217 126 HA ASN 18 HA ASN 18 2.484 7.955 4.161 127 HB2 ASN 18 HB3 ASN 18 1.146 9.600 5.820 128 HB3 ASN 18 HB2 ASN 18 2.471 10.231 4.859 129 HD21 ASN 18 HD21 ASN 18 -0.539 11.138 5.800 130 HD22 ASN 18 HD22 ASN 18 -1.016 12.032 4.438 131 H PHE 19 H PHE 19 1.639 6.498 5.492 132 HA PHE 19 HA PHE 19 -0.243 4.743 5.046 133 HB2 PHE 19 HB3 PHE 19 -0.394 4.300 7.471 134 HB3 PHE 19 HB2 PHE 19 1.255 4.737 7.018 135 HD1 PHE 19 HD1 PHE 19 -1.817 5.927 8.739 136 HD2 PHE 19 HD2 PHE 19 2.241 6.940 7.637 137 HE1 PHE 19 HE1 PHE 19 -1.873 7.863 10.281 138 HE2 PHE 19 HE2 PHE 19 2.174 8.861 9.201 139 HZ PHE 19 HZ PHE 19 0.117 9.327 10.512 140 H ASP 20 H ASP 20 -0.967 7.966 6.221 141 HA ASP 20 HA ASP 20 -3.695 7.523 7.012 142 HB2 ASP 20 HB3 ASP 20 -2.248 9.457 7.692 143 HB3 ASP 20 HB2 ASP 20 -2.299 10.067 6.044 144 H GLU 21 H GLU 21 -2.147 8.759 4.110 145 HA GLU 21 HA GLU 21 -4.435 9.174 2.510 146 HB2 GLU 21 HB3 GLU 21 -1.598 8.394 1.628 147 HB3 GLU 21 HB2 GLU 21 -2.856 8.949 0.516 148 HG2 GLU 21 HG3 GLU 21 -1.845 10.573 2.882 149 HG3 GLU 21 HG2 GLU 21 -1.240 10.759 1.239 150 H LEU 22 H LEU 22 -2.511 6.290 3.002 151 HA LEU 22 HA LEU 22 -4.026 4.620 1.125 152 HB2 LEU 22 HB3 LEU 22 -2.178 3.788 3.420 153 HB3 LEU 22 HB2 LEU 22 -2.641 2.792 2.032 154 HG LEU 22 HG LEU 22 -1.034 5.382 1.914 155 HD11 LEU 22 HD11 LEU 22 0.850 3.876 1.189 156 HD12 LEU 22 HD12 LEU 22 -0.162 2.486 1.580 157 HD13 LEU 22 HD13 LEU 22 0.327 3.617 2.841 158 HD21 LEU 22 HD21 LEU 22 -0.644 4.550 -0.547 159 HD22 LEU 22 HD22 LEU 22 -2.225 5.223 -0.173 160 HD23 LEU 22 HD23 LEU 22 -2.014 3.479 -0.269 161 H ARG 23 H ARG 23 -3.822 4.871 4.615 162 HA ARG 23 HA ARG 23 -5.752 2.878 5.163 163 HB2 ARG 23 HB3 ARG 23 -4.196 3.845 6.873 164 HB3 ARG 23 HB2 ARG 23 -5.141 5.334 6.855 165 HG2 ARG 23 HG3 ARG 23 -7.204 3.885 7.525 166 HG3 ARG 23 HG2 ARG 23 -6.074 2.561 7.718 167 HD2 ARG 23 HD3 ARG 23 -5.874 5.174 9.177 168 HD3 ARG 23 HD2 ARG 23 -6.597 3.705 9.836 169 HE ARG 23 HE ARG 23 -3.996 3.081 8.912 170 HH11 ARG 23 HH21 ARG 23 -5.582 4.904 11.413 171 HH12 ARG 23 HH22 ARG 23 -4.261 4.779 12.525 172 HH21 ARG 23 HH11 ARG 23 -2.275 2.923 10.371 173 HH22 ARG 23 HH12 ARG 23 -2.393 3.659 11.934 174 H GLN 24 H GLN 24 -6.152 6.405 5.148 175 HA GLN 24 HA GLN 24 -8.903 6.503 5.650 176 HB2 GLN 24 HB3 GLN 24 -7.161 8.416 4.035 177 HB3 GLN 24 HB2 GLN 24 -8.756 8.823 4.665 178 HG2 GLN 24 HG3 GLN 24 -6.618 7.761 6.558 179 HG3 GLN 24 HG2 GLN 24 -6.614 9.460 6.090 180 HE21 GLN 24 HE21 GLN 24 -7.623 7.536 8.551 181 HE22 GLN 24 HE22 GLN 24 -8.988 8.403 9.067 182 H ASP 25 H ASP 25 -7.179 6.049 2.542 183 HA ASP 25 HA ASP 25 -9.537 6.401 0.936 184 HB2 ASP 25 HB3 ASP 25 -7.228 6.872 0.115 185 HB3 ASP 25 HB2 ASP 25 -6.788 5.187 0.373 186 H LEU 26 H LEU 26 -7.440 3.770 2.140 187 HA LEU 26 HA LEU 26 -8.921 1.626 0.919 188 HB2 LEU 26 HB3 LEU 26 -7.087 1.568 3.315 189 HB3 LEU 26 HB2 LEU 26 -7.755 0.120 2.582 190 HG LEU 26 HG LEU 26 -6.154 2.067 0.870 191 HD11 LEU 26 HD11 LEU 26 -4.698 1.390 2.802 192 HD12 LEU 26 HD12 LEU 26 -4.136 0.738 1.277 193 HD13 LEU 26 HD13 LEU 26 -5.008 -0.300 2.410 194 HD21 LEU 26 HD21 LEU 26 -7.461 0.343 -0.355 195 HD22 LEU 26 HD22 LEU 26 -6.739 -0.922 0.624 196 HD23 LEU 26 HD23 LEU 26 -5.760 -0.000 -0.499 197 H LYS 27 H LYS 27 -9.390 3.288 3.968 198 HA LYS 27 HA LYS 27 -11.092 1.398 5.243 199 HB2 LYS 27 HB3 LYS 27 -10.164 3.581 6.101 200 HB3 LYS 27 HB2 LYS 27 -11.445 4.424 5.232 201 HG2 LYS 27 HG3 LYS 27 -13.127 2.966 6.539 202 HG3 LYS 27 HG2 LYS 27 -11.772 2.389 7.504 203 HD2 LYS 27 HD3 LYS 27 -12.722 5.289 7.253 204 HD3 LYS 27 HD2 LYS 27 -12.913 4.251 8.667 205 HE2 LYS 27 HE3 LYS 27 -10.302 5.438 7.548 206 HE3 LYS 27 HE2 LYS 27 -11.001 5.654 9.162 207 HZ1 LYS 27 HZ1 LYS 27 -10.756 3.090 9.299 208 HZ2 LYS 27 HZ2 LYS 27 -9.395 4.078 9.535 209 HZ3 LYS 27 HZ3 LYS 27 -9.631 3.298 8.047 210 H GLY 28 H GLY 28 -11.879 3.949 2.879 211 HA2 GLY 28 HA3 GLY 28 -14.686 3.589 2.755 212 HA3 GLY 28 HA2 GLY 28 -13.686 4.304 1.502 213 H LYS 29 H LYS 29 -12.079 1.854 1.163 214 HA LYS 29 HA LYS 29 -13.669 0.568 -0.865 215 HB2 LYS 29 HB3 LYS 29 -10.995 -0.341 0.295 216 HB3 LYS 29 HB2 LYS 29 -11.667 -0.749 -1.277 217 HG2 LYS 29 HG3 LYS 29 -10.907 2.077 -0.468 218 HG3 LYS 29 HG2 LYS 29 -9.860 1.010 -1.382 219 HD2 LYS 29 HD3 LYS 29 -11.607 0.874 -3.180 220 HD3 LYS 29 HD2 LYS 29 -12.618 1.989 -2.274 221 HE2 LYS 29 HE3 LYS 29 -10.899 3.739 -2.449 222 HE3 LYS 29 HE2 LYS 29 -9.857 2.630 -3.350 223 HZ1 LYS 29 HZ1 LYS 29 -11.344 4.190 -4.675 224 HZ2 LYS 29 HZ2 LYS 29 -12.630 3.181 -4.212 225 HZ3 LYS 29 HZ3 LYS 29 -11.340 2.553 -5.122 226 H GLY 30 H GLY 30 -14.055 0.271 2.257 227 HA2 GLY 30 HA3 GLY 30 -15.217 -1.214 3.566 228 HA3 GLY 30 HA2 GLY 30 -15.566 -2.139 2.111 229 H HIS 31 H HIS 31 -12.209 -1.602 2.636 230 HA HIS 31 HA HIS 31 -11.667 -4.387 2.948 231 HB2 HIS 31 HB3 HIS 31 -9.935 -1.903 3.225 232 HB3 HIS 31 HB2 HIS 31 -9.293 -3.544 3.318 233 HD2 HIS 31 HD2 HIS 31 -7.900 -3.123 0.835 234 HE1 HIS 31 HE1 HIS 31 -11.434 -3.180 -1.470 235 HE2 HIS 31 HE2 HIS 31 -8.889 -3.303 -1.574 236 H THR 32 H THR 32 -10.400 -5.288 4.723 237 HA THR 32 HA THR 32 -11.738 -4.692 7.282 238 HB THR 32 HB THR 32 -10.839 -6.863 7.984 239 HG1 THR 32 HG1 THR 32 -9.765 -7.486 5.553 240 HG21 THR 32 HG21 THR 32 -11.938 -8.303 6.303 241 HG22 THR 32 HG22 THR 32 -11.893 -7.008 5.116 242 HG23 THR 32 HG23 THR 32 -12.908 -6.850 6.551 243 H ASP 33 H ASP 33 -10.493 -4.651 9.277 244 HA ASP 33 HA ASP 33 -8.486 -2.672 9.236 245 HB2 ASP 33 HB3 ASP 33 -9.080 -4.724 11.410 246 HB3 ASP 33 HB2 ASP 33 -8.204 -3.205 11.636 247 H ALA 34 H ALA 34 -8.245 -6.218 9.517 248 HA ALA 34 HA ALA 34 -5.454 -6.381 9.909 249 HB1 ALA 34 HB1 ALA 34 -5.660 -8.717 9.140 250 HB2 ALA 34 HB2 ALA 34 -7.247 -8.364 8.446 251 HB3 ALA 34 HB3 ALA 34 -7.016 -8.295 10.191 252 H GLU 35 H GLU 35 -7.332 -6.514 6.771 253 HA GLU 35 HA GLU 35 -5.035 -6.678 5.144 254 HB2 GLU 35 HB3 GLU 35 -7.862 -5.676 4.635 255 HB3 GLU 35 HB2 GLU 35 -6.699 -5.946 3.335 256 HG2 GLU 35 HG3 GLU 35 -7.611 -8.115 5.297 257 HG3 GLU 35 HG2 GLU 35 -8.291 -7.892 3.686 258 H ILE 36 H ILE 36 -6.993 -3.917 6.150 259 HA ILE 36 HA ILE 36 -5.765 -1.942 4.570 260 HB ILE 36 HB ILE 36 -7.056 -1.744 7.313 261 HG12 ILE 36 HG13 ILE 36 -8.193 -0.873 4.625 262 HG13 ILE 36 HG12 ILE 36 -8.446 -2.467 5.231 263 HG21 ILE 36 HG21 ILE 36 -6.179 0.494 5.416 264 HG22 ILE 36 HG22 ILE 36 -5.680 0.277 7.093 265 HG23 ILE 36 HG23 ILE 36 -7.327 0.754 6.728 266 HD11 ILE 36 HD11 ILE 36 -9.578 -1.580 7.211 267 HD12 ILE 36 HD12 ILE 36 -10.342 -0.976 5.739 268 HD13 ILE 36 HD13 ILE 36 -9.272 0.080 6.654 269 H GLU 37 H GLU 37 -5.035 -2.837 7.972 270 HA GLU 37 HA GLU 37 -2.950 -1.099 8.349 271 HB2 GLU 37 HB3 GLU 37 -2.417 -2.269 10.357 272 HB3 GLU 37 HB2 GLU 37 -4.163 -2.240 10.153 273 HG2 GLU 37 HG3 GLU 37 -3.962 -4.561 9.185 274 HG3 GLU 37 HG2 GLU 37 -2.288 -4.595 9.656 275 H ALA 38 H ALA 38 -2.970 -4.435 7.208 276 HA ALA 38 HA ALA 38 -0.198 -4.935 7.252 277 HB1 ALA 38 HB1 ALA 38 -1.954 -6.673 7.090 278 HB2 ALA 38 HB2 ALA 38 -0.808 -6.821 5.757 279 HB3 ALA 38 HB3 ALA 38 -2.398 -6.088 5.491 280 H ILE 39 H ILE 39 -2.346 -3.833 4.619 281 HA ILE 39 HA ILE 39 -0.391 -3.855 2.571 282 HB ILE 39 HB ILE 39 -3.074 -2.500 2.917 283 HG12 ILE 39 HG13 ILE 39 -3.473 -3.442 0.570 284 HG13 ILE 39 HG12 ILE 39 -1.846 -4.112 0.624 285 HG21 ILE 39 HG21 ILE 39 -1.989 -0.507 2.067 286 HG22 ILE 39 HG22 ILE 39 -2.795 -1.232 0.684 287 HG23 ILE 39 HG23 ILE 39 -1.070 -1.454 0.880 288 HD11 ILE 39 HD11 ILE 39 -3.260 -5.885 1.283 289 HD12 ILE 39 HD12 ILE 39 -4.237 -4.842 2.302 290 HD13 ILE 39 HD13 ILE 39 -2.609 -5.311 2.817 291 H PHE 40 H PHE 40 -1.324 -1.112 4.651 292 HA PHE 40 HA PHE 40 0.543 0.677 3.387 293 HB2 PHE 40 HB3 PHE 40 -0.333 2.303 4.773 294 HB3 PHE 40 HB2 PHE 40 -1.593 1.122 5.032 295 HD1 PHE 40 HD2 PHE 40 1.593 2.495 6.397 296 HD2 PHE 40 HD1 PHE 40 -1.782 0.047 7.194 297 HE1 PHE 40 HE2 PHE 40 2.257 2.387 8.770 298 HE2 PHE 40 HE1 PHE 40 -1.140 -0.136 9.583 299 HZ PHE 40 HZ PHE 40 0.905 1.057 10.380 300 H THR 41 H THR 41 0.628 -1.397 6.251 301 HA THR 41 HA THR 41 3.035 -0.543 7.365 302 HB THR 41 HB THR 41 1.550 -3.176 7.387 303 HG1 THR 41 HG1 THR 41 0.860 -2.434 9.321 304 HG21 THR 41 HG21 THR 41 2.968 -3.612 9.483 305 HG22 THR 41 HG22 THR 41 4.090 -2.414 8.853 306 HG23 THR 41 HG23 THR 41 3.761 -3.888 7.938 307 H LYS 42 H LYS 42 2.445 -3.067 4.917 308 HA LYS 42 HA LYS 42 5.132 -3.938 4.801 309 HB2 LYS 42 HB3 LYS 42 3.137 -5.199 3.971 310 HB3 LYS 42 HB2 LYS 42 2.968 -4.046 2.650 311 HG2 LYS 42 HG3 LYS 42 5.250 -4.643 1.833 312 HG3 LYS 42 HG2 LYS 42 5.426 -5.777 3.175 313 HD2 LYS 42 HD3 LYS 42 3.480 -7.084 2.307 314 HD3 LYS 42 HD2 LYS 42 3.330 -5.953 0.960 315 HE2 LYS 42 HE3 LYS 42 5.623 -6.549 0.192 316 HE3 LYS 42 HE2 LYS 42 5.784 -7.673 1.547 317 HZ1 LYS 42 HZ1 LYS 42 4.520 -8.056 -0.945 318 HZ2 LYS 42 HZ2 LYS 42 3.400 -8.292 0.312 319 HZ3 LYS 42 HZ3 LYS 42 4.846 -9.183 0.277 320 H TYR 43 H TYR 43 3.263 -1.698 2.670 321 HA TYR 43 HA TYR 43 5.545 -0.988 1.081 322 HB2 TYR 43 HB3 TYR 43 2.808 0.241 1.439 323 HB3 TYR 43 HB2 TYR 43 4.018 1.055 0.458 324 HD1 TYR 43 HD2 TYR 43 2.494 -2.368 0.887 325 HD2 TYR 43 HD1 TYR 43 4.131 0.518 -1.875 326 HE1 TYR 43 HE2 TYR 43 1.944 -3.854 -1.009 327 HE2 TYR 43 HE1 TYR 43 3.580 -0.997 -3.747 328 HH TYR 43 HH TYR 43 3.241 -3.768 -3.806 329 H ASP 44 H ASP 44 4.199 0.372 4.051 330 HA ASP 44 HA ASP 44 6.177 2.571 4.012 331 HB2 ASP 44 HB3 ASP 44 3.965 2.092 6.053 332 HB3 ASP 44 HB2 ASP 44 4.830 3.557 5.670 333 H GLN 45 H GLN 45 8.121 1.870 4.778 334 HA GLN 45 HA GLN 45 8.494 -0.358 6.482 335 HB2 GLN 45 HB3 GLN 45 10.216 2.031 5.705 336 HB3 GLN 45 HB2 GLN 45 10.847 0.821 6.822 337 HG2 GLN 45 HG3 GLN 45 11.513 0.358 4.444 338 HG3 GLN 45 HG2 GLN 45 10.553 -0.950 5.130 339 HE21 GLN 45 HE21 GLN 45 8.160 -0.938 4.538 340 HE22 GLN 45 HE22 GLN 45 7.719 -0.319 3.020 341 H ASP 46 H ASP 46 8.660 3.224 7.406 342 HA ASP 46 HA ASP 46 8.316 2.414 10.238 343 HB2 ASP 46 HB3 ASP 46 10.371 3.701 9.594 344 HB3 ASP 46 HB2 ASP 46 9.350 5.014 9.024 345 H GLY 47 H GLY 47 6.538 3.472 7.613 346 HA2 GLY 47 HA3 GLY 47 4.518 4.655 7.383 347 HA3 GLY 47 HA2 GLY 47 4.148 3.985 8.943 348 H ASP 48 H ASP 48 6.871 6.112 8.538 349 HA ASP 48 HA ASP 48 5.448 8.343 9.946 350 HB2 ASP 48 HB3 ASP 48 7.169 7.092 11.282 351 HB3 ASP 48 HB2 ASP 48 8.392 7.553 10.103 352 H GLN 49 H GLN 49 7.301 7.433 7.178 353 HA GLN 49 HA GLN 49 7.637 10.303 6.348 354 HB2 GLN 49 HB3 GLN 49 9.612 9.264 4.934 355 HB3 GLN 49 HB2 GLN 49 9.877 9.570 6.646 356 HG2 GLN 49 HG3 GLN 49 10.723 7.319 5.978 357 HG3 GLN 49 HG2 GLN 49 9.455 7.188 7.188 358 HE21 GLN 49 HE21 GLN 49 8.214 5.374 6.665 359 HE22 GLN 49 HE22 GLN 49 7.692 4.966 5.103 360 H GLU 50 H GLU 50 7.872 10.497 3.911 361 HA GLU 50 HA GLU 50 5.562 9.381 2.690 362 HB2 GLU 50 HB3 GLU 50 7.744 11.188 1.595 363 HB3 GLU 50 HB2 GLU 50 6.199 10.858 0.802 364 HG2 GLU 50 HG3 GLU 50 6.507 12.183 3.547 365 HG3 GLU 50 HG2 GLU 50 6.183 13.036 2.052 366 H LEU 51 H LEU 51 5.495 8.076 0.858 367 HA LEU 51 HA LEU 51 7.724 6.160 0.705 368 HB2 LEU 51 HB3 LEU 51 5.112 6.020 -0.853 369 HB3 LEU 51 HB2 LEU 51 6.186 4.693 -0.395 370 HG LEU 51 HG LEU 51 4.470 6.362 1.505 371 HD11 LEU 51 HD11 LEU 51 3.189 4.369 1.840 372 HD12 LEU 51 HD12 LEU 51 4.275 3.428 0.830 373 HD13 LEU 51 HD13 LEU 51 3.249 4.662 0.118 374 HD21 LEU 51 HD21 LEU 51 5.254 4.704 3.255 375 HD22 LEU 51 HD22 LEU 51 6.494 5.796 2.723 376 HD23 LEU 51 HD23 LEU 51 6.463 4.141 2.103 377 H THR 52 H THR 52 9.294 6.472 -0.664 378 HA THR 52 HA THR 52 9.111 8.222 -2.930 379 HB THR 52 HB THR 52 11.177 8.144 -1.595 380 HG1 THR 52 HG1 THR 52 11.438 8.574 -3.767 381 HG21 THR 52 HG21 THR 52 12.599 6.120 -1.580 382 HG22 THR 52 HG22 THR 52 11.390 5.235 -2.494 383 HG23 THR 52 HG23 THR 52 11.037 5.760 -0.848 384 H GLU 53 H GLU 53 10.379 7.271 -4.828 385 HA GLU 53 HA GLU 53 8.467 5.562 -6.125 386 HB2 GLU 53 HB3 GLU 53 11.169 6.560 -7.100 387 HB3 GLU 53 HB2 GLU 53 9.961 5.753 -8.117 388 HG2 GLU 53 HG3 GLU 53 8.329 7.586 -7.614 389 HG3 GLU 53 HG2 GLU 53 9.548 8.397 -6.628 390 H HIS 54 H HIS 54 11.939 5.149 -5.529 391 HA HIS 54 HA HIS 54 12.188 2.564 -6.503 392 HB2 HIS 54 HB3 HIS 54 14.134 3.946 -5.787 393 HB3 HIS 54 HB2 HIS 54 13.706 3.686 -4.098 394 HD2 HIS 54 HD2 HIS 54 15.573 1.838 -6.961 395 HE1 HIS 54 HE1 HIS 54 15.258 -0.882 -3.748 396 HE2 HIS 54 HE2 HIS 54 16.323 -0.477 -6.017 397 H GLU 55 H GLU 55 11.597 3.374 -3.000 398 HA GLU 55 HA GLU 55 11.191 0.759 -2.129 399 HB2 GLU 55 HB3 GLU 55 9.934 3.377 -1.187 400 HB3 GLU 55 HB2 GLU 55 9.946 1.885 -0.241 401 HG2 GLU 55 HG3 GLU 55 12.451 3.371 -1.186 402 HG3 GLU 55 HG2 GLU 55 11.777 3.479 0.436 403 H HIS 56 H HIS 56 8.739 3.156 -3.205 404 HA HIS 56 HA HIS 56 6.495 1.480 -2.905 405 HB2 HIS 56 HB3 HIS 56 6.335 3.935 -3.203 406 HB3 HIS 56 HB2 HIS 56 6.921 3.787 -4.856 407 HD2 HIS 56 HD2 HIS 56 5.046 2.376 -6.620 408 HE1 HIS 56 HE1 HIS 56 1.786 2.819 -3.989 409 HE2 HIS 56 HE2 HIS 56 2.461 2.133 -6.340 410 H GLN 57 H GLN 57 8.391 2.162 -5.929 411 HA GLN 57 HA GLN 57 6.894 0.441 -7.583 412 HB2 GLN 57 HB3 GLN 57 9.580 1.769 -7.743 413 HB3 GLN 57 HB2 GLN 57 9.343 0.435 -8.843 414 HG2 GLN 57 HG3 GLN 57 8.709 2.709 -9.777 415 HG3 GLN 57 HG2 GLN 57 7.453 1.497 -9.885 416 HE21 GLN 57 HE21 GLN 57 8.302 3.424 -7.015 417 HE22 GLN 57 HE22 GLN 57 6.816 4.202 -6.876 418 H GLN 58 H GLN 58 9.669 -0.256 -5.478 419 HA GLN 58 HA GLN 58 10.195 -2.865 -6.476 420 HB2 GLN 58 HB3 GLN 58 11.681 -1.471 -4.944 421 HB3 GLN 58 HB2 GLN 58 10.618 -1.895 -3.604 422 HG2 GLN 58 HG3 GLN 58 11.093 -4.340 -4.078 423 HG3 GLN 58 HG2 GLN 58 12.200 -3.850 -5.353 424 HE21 GLN 58 HE21 GLN 58 14.223 -4.401 -4.455 425 HE22 GLN 58 HE22 GLN 58 14.779 -3.833 -2.954 426 H MET 59 H MET 59 8.320 -1.821 -3.551 427 HA MET 59 HA MET 59 7.291 -4.381 -2.927 428 HB2 MET 59 HB3 MET 59 6.073 -1.643 -2.390 429 HB3 MET 59 HB2 MET 59 5.670 -3.132 -1.523 430 HG2 MET 59 HG3 MET 59 8.442 -1.894 -1.603 431 HG3 MET 59 HG2 MET 59 7.321 -1.650 -0.313 432 HE1 MET 59 HE1 MET 59 9.614 -4.041 -2.156 433 HE2 MET 59 HE2 MET 59 10.168 -5.067 -0.836 434 HE3 MET 59 HE3 MET 59 10.421 -3.324 -0.758 435 H ARG 60 H ARG 60 6.174 -1.820 -5.090 436 HA ARG 60 HA ARG 60 3.566 -2.807 -5.579 437 HB2 ARG 60 HB3 ARG 60 4.503 -0.608 -6.352 438 HB3 ARG 60 HB2 ARG 60 5.396 -1.472 -7.599 439 HG2 ARG 60 HG3 ARG 60 3.223 -2.347 -8.503 440 HG3 ARG 60 HG2 ARG 60 2.368 -1.422 -7.268 441 HD2 ARG 60 HD3 ARG 60 2.355 -0.201 -9.367 442 HD3 ARG 60 HD2 ARG 60 3.391 0.658 -8.213 443 HE ARG 60 HE ARG 60 4.971 -1.145 -9.735 444 HH11 ARG 60 HH21 ARG 60 3.183 1.829 -10.085 445 HH12 ARG 60 HH22 ARG 60 4.169 2.416 -11.382 446 HH21 ARG 60 HH11 ARG 60 6.244 -0.357 -11.432 447 HH22 ARG 60 HH12 ARG 60 5.893 1.184 -12.139 448 H ASP 61 H ASP 61 6.597 -3.469 -7.426 449 HA ASP 61 HA ASP 61 5.530 -5.335 -9.215 450 HB2 ASP 61 HB3 ASP 61 8.331 -5.023 -8.057 451 HB3 ASP 61 HB2 ASP 61 7.950 -6.020 -9.467 452 H ASP 62 H ASP 62 6.793 -5.684 -5.929 453 HA ASP 62 HA ASP 62 6.979 -8.521 -5.878 454 HB2 ASP 62 HB3 ASP 62 8.062 -6.970 -4.212 455 HB3 ASP 62 HB2 ASP 62 6.474 -6.629 -3.527 456 H LEU 63 H LEU 63 4.417 -6.215 -4.947 457 HA LEU 63 HA LEU 63 2.615 -8.097 -3.921 458 HB2 LEU 63 HB3 LEU 63 2.330 -5.717 -3.555 459 HB3 LEU 63 HB2 LEU 63 2.130 -5.424 -5.281 460 HG LEU 63 HG LEU 63 -0.025 -6.751 -5.253 461 HD11 LEU 63 HD11 LEU 63 0.273 -8.373 -3.526 462 HD12 LEU 63 HD12 LEU 63 -0.951 -7.303 -2.873 463 HD13 LEU 63 HD13 LEU 63 0.717 -7.157 -2.321 464 HD21 LEU 63 HD21 LEU 63 -1.366 -5.155 -3.988 465 HD22 LEU 63 HD22 LEU 63 -0.072 -4.318 -4.850 466 HD23 LEU 63 HD23 LEU 63 0.075 -4.621 -3.113 467 H GLU 64 H GLU 64 2.832 -6.678 -7.282 468 HA GLU 64 HA GLU 64 0.676 -8.094 -8.338 469 HB2 GLU 64 HB3 GLU 64 1.946 -6.196 -9.399 470 HB3 GLU 64 HB2 GLU 64 3.276 -7.305 -9.722 471 HG2 GLU 64 HG3 GLU 64 1.903 -7.100 -11.740 472 HG3 GLU 64 HG2 GLU 64 1.719 -8.719 -11.101 473 H LYS 65 H LYS 65 4.105 -9.007 -8.174 474 HA LYS 65 HA LYS 65 4.017 -11.471 -9.505 475 HB2 LYS 65 HB3 LYS 65 5.753 -10.446 -7.225 476 HB3 LYS 65 HB2 LYS 65 6.093 -11.980 -8.013 477 HG2 LYS 65 HG3 LYS 65 5.832 -9.430 -9.690 478 HG3 LYS 65 HG2 LYS 65 7.355 -9.793 -8.875 479 HD2 LYS 65 HD3 LYS 65 7.502 -11.964 -10.072 480 HD3 LYS 65 HD2 LYS 65 5.952 -11.677 -10.844 481 HE2 LYS 65 HE3 LYS 65 6.871 -9.675 -11.977 482 HE3 LYS 65 HE2 LYS 65 8.436 -9.965 -11.205 483 HZ1 LYS 65 HZ1 LYS 65 8.674 -11.023 -13.214 484 HZ2 LYS 65 HZ2 LYS 65 7.058 -11.546 -13.269 485 HZ3 LYS 65 HZ3 LYS 65 8.164 -12.306 -12.228 486 H GLU 66 H GLU 66 3.371 -10.728 -6.109 487 HA GLU 66 HA GLU 66 2.877 -13.498 -5.334 488 HB2 GLU 66 HB3 GLU 66 2.397 -10.826 -3.963 489 HB3 GLU 66 HB2 GLU 66 2.056 -12.381 -3.194 490 HG2 GLU 66 HG3 GLU 66 4.441 -13.039 -3.432 491 HG3 GLU 66 HG2 GLU 66 4.804 -11.520 -4.235 492 H ARG 67 H ARG 67 0.897 -10.698 -6.386 493 HA ARG 67 HA ARG 67 -1.578 -11.481 -5.637 494 HB2 ARG 67 HB3 ARG 67 -0.879 -9.307 -6.781 495 HB3 ARG 67 HB2 ARG 67 -0.922 -10.167 -8.316 496 HG2 ARG 67 HG3 ARG 67 -3.314 -10.759 -7.875 497 HG3 ARG 67 HG2 ARG 67 -3.240 -9.827 -6.391 498 HD2 ARG 67 HD3 ARG 67 -2.728 -7.776 -7.709 499 HD3 ARG 67 HD2 ARG 67 -2.842 -8.712 -9.202 500 HE ARG 67 HE ARG 67 -5.030 -7.717 -7.609 501 HH11 ARG 67 HH21 ARG 67 -4.062 -10.336 -9.705 502 HH12 ARG 67 HH22 ARG 67 -5.682 -10.712 -10.190 503 HH21 ARG 67 HH11 ARG 67 -7.139 -8.244 -8.250 504 HH22 ARG 67 HH12 ARG 67 -7.410 -9.536 -9.374 505 H GLU 68 H GLU 68 0.319 -12.524 -8.416 506 HA GLU 68 HA GLU 68 -1.647 -14.026 -9.825 507 HB2 GLU 68 HB3 GLU 68 1.347 -14.542 -9.548 508 HB3 GLU 68 HB2 GLU 68 0.321 -15.266 -10.791 509 HG2 GLU 68 HG3 GLU 68 0.767 -12.270 -10.426 510 HG3 GLU 68 HG2 GLU 68 1.583 -13.260 -11.627 511 H ASP 69 H ASP 69 0.929 -15.419 -7.748 512 HA ASP 69 HA ASP 69 -0.190 -17.973 -7.488 513 HB2 ASP 69 HB3 ASP 69 2.143 -17.390 -6.808 514 HB3 ASP 69 HB2 ASP 69 1.516 -16.476 -5.440 515 H LEU 70 H LEU 70 -0.735 -15.026 -5.575 516 HA LEU 70 HA LEU 70 -2.279 -16.199 -3.497 517 HB2 LEU 70 HB3 LEU 70 -1.229 -13.830 -3.559 518 HB3 LEU 70 HB2 LEU 70 -2.614 -13.360 -4.524 519 HG LEU 70 HG LEU 70 -4.037 -14.428 -2.484 520 HD11 LEU 70 HD11 LEU 70 -2.010 -15.332 -1.293 521 HD12 LEU 70 HD12 LEU 70 -2.936 -14.221 -0.303 522 HD13 LEU 70 HD13 LEU 70 -1.434 -13.686 -1.066 523 HD21 LEU 70 HD21 LEU 70 -2.621 -11.738 -2.243 524 HD22 LEU 70 HD22 LEU 70 -4.055 -12.214 -1.332 525 HD23 LEU 70 HD23 LEU 70 -4.148 -12.040 -3.081 526 H ASP 71 H ASP 71 -3.199 -14.752 -6.585 527 HA ASP 71 HA ASP 71 -6.001 -14.784 -6.279 528 HB2 ASP 71 HB3 ASP 71 -4.817 -13.611 -8.140 529 HB3 ASP 71 HB2 ASP 71 -4.393 -15.165 -8.849 530 H LEU 72 H LEU 72 -3.768 -17.251 -7.572 531 HA LEU 72 HA LEU 72 -5.732 -19.164 -8.280 532 HB2 LEU 72 HB3 LEU 72 -3.245 -19.102 -8.973 533 HB3 LEU 72 HB2 LEU 72 -2.874 -19.764 -7.388 534 HG LEU 72 HG LEU 72 -4.680 -21.667 -8.064 535 HD11 LEU 72 HD11 LEU 72 -4.748 -22.126 -10.494 536 HD12 LEU 72 HD12 LEU 72 -3.801 -20.672 -10.818 537 HD13 LEU 72 HD13 LEU 72 -5.431 -20.547 -10.170 538 HD21 LEU 72 HD21 LEU 72 -2.884 -23.038 -9.108 539 HD22 LEU 72 HD22 LEU 72 -2.294 -22.170 -7.694 540 HD23 LEU 72 HD23 LEU 72 -1.901 -21.583 -9.311 541 H ASP 73 H ASP 73 -3.812 -18.709 -5.323 542 HA ASP 73 HA ASP 73 -4.821 -20.983 -3.912 543 HB2 ASP 73 HB3 ASP 73 -3.638 -18.379 -2.838 544 HB3 ASP 73 HB2 ASP 73 -3.850 -19.867 -1.909 545 H HIS 74 H HIS 74 -6.478 -21.114 -2.373 546 HA HIS 74 HA HIS 74 -8.817 -19.589 -2.856 547 HB2 HIS 74 HB3 HIS 74 -8.793 -21.927 -1.959 548 HB3 HIS 74 HB2 HIS 74 -8.146 -21.332 -0.433 549 HD2 HIS 74 HD2 HIS 74 -11.559 -21.472 -2.339 550 HE1 HIS 74 HE1 HIS 74 -12.225 -19.430 1.295 551 HE2 HIS 74 HE2 HIS 74 -13.350 -20.435 -0.748 552 H SER 75 H SER 75 -6.063 -19.018 -0.871 553 HA SER 75 HA SER 75 -5.526 -17.427 0.698 554 HB2 SER 75 HB3 SER 75 -5.925 -15.937 -1.232 555 HB3 SER 75 HB2 SER 75 -7.638 -15.859 -0.832 556 HG SER 75 HG SER 75 -6.509 -15.245 1.379 557 H SER 76 H SER 76 -7.369 -19.362 1.555 558 HA SER 76 HA SER 76 -9.676 -18.378 2.859 559 HB2 SER 76 HB3 SER 76 -9.566 -20.446 4.201 560 HB3 SER 76 HB2 SER 76 -9.147 -20.811 2.525 561 HG SER 76 HG SER 76 -7.264 -21.418 3.211 562 H LEU 77 H LEU 77 -6.309 -18.093 3.603 563 HA LEU 77 HA LEU 77 -6.479 -17.700 6.386 564 HB2 LEU 77 HB3 LEU 77 -4.388 -16.609 4.469 565 HB3 LEU 77 HB2 LEU 77 -4.189 -16.817 6.215 566 HG LEU 77 HG LEU 77 -4.628 -19.075 4.190 567 HD11 LEU 77 HD11 LEU 77 -2.367 -18.070 4.046 568 HD12 LEU 77 HD12 LEU 77 -2.282 -19.700 4.714 569 HD13 LEU 77 HD13 LEU 77 -2.147 -18.299 5.782 570 HD21 LEU 77 HD21 LEU 77 -5.580 -19.881 6.232 571 HD22 LEU 77 HD22 LEU 77 -4.345 -19.109 7.231 572 HD23 LEU 77 HD23 LEU 77 -3.956 -20.531 6.258 573 HA PRO 78 HA PRO 78 -8.259 -13.578 6.908 574 HB2 PRO 78 HB3 PRO 78 -5.733 -13.014 8.535 575 HB3 PRO 78 HB2 PRO 78 -7.422 -12.592 8.926 576 HG2 PRO 78 HG3 PRO 78 -6.295 -14.720 10.077 577 HG3 PRO 78 HG2 PRO 78 -7.977 -14.809 9.501 578 HD2 PRO 78 HD2 PRO 78 -5.503 -16.040 8.256 579 HD3 PRO 78 HD3 PRO 78 -7.188 -16.616 8.270 Start of MODEL 7 1 H1 ASN 1 1H ASN 1 -16.373 1.332 -11.425 2 H2 ASN 1 2H ASN 1 -14.718 1.645 -11.644 3 H3 ASN 1 3H ASN 1 -15.866 2.857 -11.965 4 HA ASN 1 HA ASN 1 -14.531 2.908 -9.759 5 HB2 ASN 1 HB3 ASN 1 -16.404 4.438 -10.395 6 HB3 ASN 1 HB2 ASN 1 -17.571 3.245 -9.841 7 HD21 ASN 1 HD21 ASN 1 -18.429 4.307 -7.975 8 HD22 ASN 1 HD22 ASN 1 -17.481 4.824 -6.667 9 H THR 2 H THR 2 -17.463 0.859 -9.969 10 HA THR 2 HA THR 2 -17.340 -0.242 -7.354 11 HB THR 2 HB THR 2 -18.906 -1.957 -8.239 12 HG1 THR 2 HG1 THR 2 -17.558 -1.842 -10.336 13 HG21 THR 2 HG21 THR 2 -19.799 0.356 -7.816 14 HG22 THR 2 HG22 THR 2 -20.650 -0.448 -9.135 15 HG23 THR 2 HG23 THR 2 -19.437 0.778 -9.491 16 H VAL 3 H VAL 3 -15.653 -1.001 -10.320 17 HA VAL 3 HA VAL 3 -14.661 -3.613 -9.496 18 HB VAL 3 HB VAL 3 -13.260 -3.436 -11.561 19 HG11 VAL 3 HG11 VAL 3 -15.144 -3.328 -13.196 20 HG12 VAL 3 HG12 VAL 3 -16.164 -2.555 -11.980 21 HG13 VAL 3 HG13 VAL 3 -15.626 -4.220 -11.750 22 HG21 VAL 3 HG21 VAL 3 -13.505 -1.420 -13.040 23 HG22 VAL 3 HG22 VAL 3 -12.768 -0.979 -11.507 24 HG23 VAL 3 HG23 VAL 3 -14.470 -0.623 -11.799 25 H ASP 4 H ASP 4 -14.154 -1.032 -7.859 26 HA ASP 4 HA ASP 4 -11.456 -0.314 -7.876 27 HB2 ASP 4 HB3 ASP 4 -11.772 0.276 -5.463 28 HB3 ASP 4 HB2 ASP 4 -13.099 0.865 -6.454 29 H ASP 5 H ASP 5 -9.844 -0.934 -6.112 30 HA ASP 5 HA ASP 5 -9.946 -3.611 -5.013 31 HB2 ASP 5 HB3 ASP 5 -9.425 -3.990 -7.484 32 HB3 ASP 5 HB2 ASP 5 -7.926 -3.094 -7.267 33 H ILE 6 H ILE 6 -7.574 -4.136 -4.277 34 HA ILE 6 HA ILE 6 -6.844 -2.151 -2.362 35 HB ILE 6 HB ILE 6 -5.234 -4.580 -3.309 36 HG12 ILE 6 HG13 ILE 6 -7.240 -4.449 -0.989 37 HG13 ILE 6 HG12 ILE 6 -7.612 -5.157 -2.550 38 HG21 ILE 6 HG21 ILE 6 -4.219 -4.458 -1.012 39 HG22 ILE 6 HG22 ILE 6 -5.159 -3.006 -0.682 40 HG23 ILE 6 HG23 ILE 6 -3.908 -2.993 -1.924 41 HD11 ILE 6 HD11 ILE 6 -6.989 -6.896 -0.949 42 HD12 ILE 6 HD12 ILE 6 -5.429 -6.128 -0.666 43 HD13 ILE 6 HD13 ILE 6 -5.805 -6.811 -2.249 44 H SER 7 H SER 7 -5.373 -3.252 -5.403 45 HA SER 7 HA SER 7 -3.052 -1.689 -5.409 46 HB2 SER 7 HB3 SER 7 -2.935 -2.137 -7.817 47 HB3 SER 7 HB2 SER 7 -3.535 -3.570 -6.990 48 HG SER 7 HG SER 7 -5.633 -2.102 -7.526 49 H GLU 8 H GLU 8 -6.248 -0.615 -5.552 50 HA GLU 8 HA GLU 8 -6.124 1.570 -7.356 51 HB2 GLU 8 HB3 GLU 8 -8.236 0.613 -6.323 52 HB3 GLU 8 HB2 GLU 8 -7.784 1.359 -4.792 53 HG2 GLU 8 HG3 GLU 8 -9.413 2.806 -5.935 54 HG3 GLU 8 HG2 GLU 8 -7.856 3.625 -5.919 55 H SER 9 H SER 9 -5.443 1.364 -3.845 56 HA SER 9 HA SER 9 -4.781 4.137 -3.481 57 HB2 SER 9 HB3 SER 9 -5.316 2.732 -1.557 58 HB3 SER 9 HB2 SER 9 -3.930 1.695 -1.873 59 HG SER 9 HG SER 9 -2.590 3.378 -1.361 60 H LEU 10 H LEU 10 -2.808 1.255 -4.171 61 HA LEU 10 HA LEU 10 -0.274 2.549 -4.073 62 HB2 LEU 10 HB3 LEU 10 -1.281 0.040 -5.433 63 HB3 LEU 10 HB2 LEU 10 0.409 0.522 -5.571 64 HG LEU 10 HG LEU 10 0.647 0.426 -3.087 65 HD11 LEU 10 HD11 LEU 10 -1.512 0.934 -2.201 66 HD12 LEU 10 HD12 LEU 10 -1.258 -0.749 -1.796 67 HD13 LEU 10 HD13 LEU 10 -2.303 -0.334 -3.143 68 HD21 LEU 10 HD21 LEU 10 1.141 -1.603 -4.397 69 HD22 LEU 10 HD22 LEU 10 -0.549 -2.091 -4.307 70 HD23 LEU 10 HD23 LEU 10 0.426 -2.036 -2.846 71 H ARG 11 H ARG 11 -2.724 2.302 -6.598 72 HA ARG 11 HA ARG 11 -1.176 2.903 -8.862 73 HB2 ARG 11 HB3 ARG 11 -3.624 2.184 -8.813 74 HB3 ARG 11 HB2 ARG 11 -4.047 3.841 -8.385 75 HG2 ARG 11 HG3 ARG 11 -2.944 4.648 -10.508 76 HG3 ARG 11 HG2 ARG 11 -2.602 2.970 -10.938 77 HD2 ARG 11 HD3 ARG 11 -5.385 4.142 -10.500 78 HD3 ARG 11 HD2 ARG 11 -4.659 3.796 -12.074 79 HE ARG 11 HE ARG 11 -4.555 1.439 -10.511 80 HH11 ARG 11 HH21 ARG 11 -6.882 3.510 -12.067 81 HH12 ARG 11 HH22 ARG 11 -8.033 2.241 -12.322 82 HH21 ARG 11 HH11 ARG 11 -6.065 -0.204 -10.841 83 HH22 ARG 11 HH12 ARG 11 -7.569 0.139 -11.628 84 H GLN 12 H GLN 12 -2.260 4.915 -6.235 85 HA GLN 12 HA GLN 12 -2.179 7.490 -7.292 86 HB2 GLN 12 HB3 GLN 12 -1.222 6.475 -4.584 87 HB3 GLN 12 HB2 GLN 12 -1.442 8.184 -4.939 88 HG2 GLN 12 HG3 GLN 12 -3.685 6.100 -5.113 89 HG3 GLN 12 HG2 GLN 12 -3.418 7.160 -3.730 90 HE21 GLN 12 HE21 GLN 12 -5.516 6.934 -6.197 91 HE22 GLN 12 HE22 GLN 12 -5.742 8.573 -6.579 92 H GLY 13 H GLY 13 0.601 6.350 -5.344 93 HA2 GLY 13 HA3 GLY 13 2.875 6.717 -5.579 94 HA3 GLY 13 HA2 GLY 13 2.606 6.435 -7.297 95 H GLY 14 H GLY 14 0.817 8.968 -5.900 96 HA2 GLY 14 HA3 GLY 14 1.720 11.010 -7.592 97 HA3 GLY 14 HA2 GLY 14 0.806 11.248 -6.107 98 H GLY 15 H GLY 15 3.364 9.602 -5.019 99 HA2 GLY 15 HA3 GLY 15 5.632 10.163 -4.592 100 HA3 GLY 15 HA2 GLY 15 5.260 11.875 -4.748 101 H LYS 16 H LYS 16 3.520 12.616 -3.166 102 HA LYS 16 HA LYS 16 4.445 12.010 -0.445 103 HB2 LYS 16 HB3 LYS 16 2.229 13.884 -1.388 104 HB3 LYS 16 HB2 LYS 16 2.961 13.852 0.230 105 HG2 LYS 16 HG3 LYS 16 5.233 14.338 -0.929 106 HG3 LYS 16 HG2 LYS 16 4.320 14.630 -2.408 107 HD2 LYS 16 HD3 LYS 16 4.071 16.183 0.224 108 HD3 LYS 16 HD2 LYS 16 4.762 16.776 -1.284 109 HE2 LYS 16 HE3 LYS 16 2.420 16.328 -2.339 110 HE3 LYS 16 HE2 LYS 16 1.840 16.196 -0.675 111 HZ1 LYS 16 HZ1 LYS 16 1.601 18.450 -1.370 112 HZ2 LYS 16 HZ2 LYS 16 3.201 18.526 -1.937 113 HZ3 LYS 16 HZ3 LYS 16 2.890 18.407 -0.270 114 H LEU 17 H LEU 17 3.627 10.286 0.550 115 HA LEU 17 HA LEU 17 0.738 10.005 0.801 116 HB2 LEU 17 HB3 LEU 17 1.574 8.666 -1.328 117 HB3 LEU 17 HB2 LEU 17 2.299 7.555 -0.174 118 HG LEU 17 HG LEU 17 -0.159 7.471 0.894 119 HD11 LEU 17 HD11 LEU 17 -2.006 7.892 -0.569 120 HD12 LEU 17 HD12 LEU 17 -0.950 8.266 -1.935 121 HD13 LEU 17 HD13 LEU 17 -1.042 9.357 -0.561 122 HD21 LEU 17 HD21 LEU 17 -0.837 5.712 -0.969 123 HD22 LEU 17 HD22 LEU 17 0.587 5.436 0.017 124 HD23 LEU 17 HD23 LEU 17 0.762 6.051 -1.623 125 H ASN 18 H ASN 18 0.184 9.134 2.668 126 HA ASN 18 HA ASN 18 2.129 7.779 4.431 127 HB2 ASN 18 HB3 ASN 18 1.374 9.465 6.289 128 HB3 ASN 18 HB2 ASN 18 2.556 10.047 5.127 129 HD21 ASN 18 HD21 ASN 18 1.461 11.146 3.095 130 HD22 ASN 18 HD22 ASN 18 0.155 12.175 3.439 131 H PHE 19 H PHE 19 1.152 6.736 6.100 132 HA PHE 19 HA PHE 19 -0.842 5.081 5.886 133 HB2 PHE 19 HB3 PHE 19 -1.198 5.082 8.350 134 HB3 PHE 19 HB2 PHE 19 0.510 5.157 7.910 135 HD1 PHE 19 HD1 PHE 19 1.784 7.316 8.028 136 HD2 PHE 19 HD2 PHE 19 -2.296 7.053 9.436 137 HE1 PHE 19 HE1 PHE 19 2.025 9.502 9.155 138 HE2 PHE 19 HE2 PHE 19 -2.037 9.244 10.566 139 HZ PHE 19 HZ PHE 19 0.118 10.474 10.415 140 H ASP 20 H ASP 20 -1.443 8.489 6.644 141 HA ASP 20 HA ASP 20 -4.249 8.189 7.211 142 HB2 ASP 20 HB3 ASP 20 -2.808 10.056 8.057 143 HB3 ASP 20 HB2 ASP 20 -2.668 10.681 6.418 144 H GLU 21 H GLU 21 -2.423 9.325 4.444 145 HA GLU 21 HA GLU 21 -4.548 10.021 2.756 146 HB2 GLU 21 HB3 GLU 21 -1.783 9.049 1.949 147 HB3 GLU 21 HB2 GLU 21 -2.908 9.891 0.878 148 HG2 GLU 21 HG3 GLU 21 -1.805 11.077 3.462 149 HG3 GLU 21 HG2 GLU 21 -1.106 11.379 1.873 150 H LEU 22 H LEU 22 -2.759 7.055 2.895 151 HA LEU 22 HA LEU 22 -4.386 5.717 0.806 152 HB2 LEU 22 HB3 LEU 22 -3.035 3.705 1.348 153 HB3 LEU 22 HB2 LEU 22 -2.067 5.117 0.985 154 HG LEU 22 HG LEU 22 -2.268 5.354 3.789 155 HD11 LEU 22 HD11 LEU 22 -3.374 2.970 3.678 156 HD12 LEU 22 HD12 LEU 22 -2.104 3.271 4.837 157 HD13 LEU 22 HD13 LEU 22 -1.749 2.411 3.336 158 HD21 LEU 22 HD21 LEU 22 -0.088 3.950 2.157 159 HD22 LEU 22 HD22 LEU 22 0.114 4.516 3.798 160 HD23 LEU 22 HD23 LEU 22 -0.183 5.668 2.537 161 H ARG 23 H ARG 23 -4.046 5.351 4.331 162 HA ARG 23 HA ARG 23 -5.836 3.185 4.665 163 HB2 ARG 23 HB3 ARG 23 -4.237 3.962 6.406 164 HB3 ARG 23 HB2 ARG 23 -5.272 5.368 6.697 165 HG2 ARG 23 HG3 ARG 23 -7.041 3.157 7.029 166 HG3 ARG 23 HG2 ARG 23 -5.532 2.602 7.740 167 HD2 ARG 23 HD3 ARG 23 -5.460 4.659 9.147 168 HD3 ARG 23 HD2 ARG 23 -7.027 5.136 8.468 169 HE ARG 23 HE ARG 23 -7.259 2.503 9.429 170 HH11 ARG 23 HH21 ARG 23 -6.728 5.708 10.641 171 HH12 ARG 23 HH22 ARG 23 -7.475 5.398 12.171 172 HH21 ARG 23 HH11 ARG 23 -8.229 2.087 11.406 173 HH22 ARG 23 HH12 ARG 23 -8.332 3.330 12.609 174 H GLN 24 H GLN 24 -6.485 6.636 5.129 175 HA GLN 24 HA GLN 24 -9.145 6.512 5.858 176 HB2 GLN 24 HB3 GLN 24 -9.268 8.847 5.362 177 HB3 GLN 24 HB2 GLN 24 -7.614 8.509 5.859 178 HG2 GLN 24 HG3 GLN 24 -7.043 8.338 3.319 179 HG3 GLN 24 HG2 GLN 24 -8.635 8.991 3.004 180 HE21 GLN 24 HE21 GLN 24 -7.714 10.405 5.860 181 HE22 GLN 24 HE22 GLN 24 -7.028 11.810 5.242 182 H ASP 25 H ASP 25 -7.737 6.333 2.565 183 HA ASP 25 HA ASP 25 -10.167 6.666 1.127 184 HB2 ASP 25 HB3 ASP 25 -7.893 7.300 0.293 185 HB3 ASP 25 HB2 ASP 25 -7.421 5.606 0.326 186 H LEU 26 H LEU 26 -7.960 3.966 1.945 187 HA LEU 26 HA LEU 26 -9.328 1.888 0.575 188 HB2 LEU 26 HB3 LEU 26 -7.459 1.756 2.938 189 HB3 LEU 26 HB2 LEU 26 -8.025 0.327 2.081 190 HG LEU 26 HG LEU 26 -6.452 2.570 0.740 191 HD11 LEU 26 HD11 LEU 26 -5.477 -0.145 1.713 192 HD12 LEU 26 HD12 LEU 26 -5.041 1.414 2.414 193 HD13 LEU 26 HD13 LEU 26 -4.524 1.011 0.780 194 HD21 LEU 26 HD21 LEU 26 -7.714 0.044 -0.302 195 HD22 LEU 26 HD22 LEU 26 -6.144 0.469 -0.950 196 HD23 LEU 26 HD23 LEU 26 -7.480 1.598 -1.072 197 H LYS 27 H LYS 27 -9.859 3.267 3.706 198 HA LYS 27 HA LYS 27 -11.415 1.238 4.925 199 HB2 LYS 27 HB3 LYS 27 -10.544 3.273 6.066 200 HB3 LYS 27 HB2 LYS 27 -11.665 4.260 5.127 201 HG2 LYS 27 HG3 LYS 27 -13.609 3.209 6.223 202 HG3 LYS 27 HG2 LYS 27 -12.572 2.013 7.000 203 HD2 LYS 27 HD3 LYS 27 -13.261 3.803 8.598 204 HD3 LYS 27 HD2 LYS 27 -11.510 3.760 8.392 205 HE2 LYS 27 HE3 LYS 27 -12.576 6.110 8.369 206 HE3 LYS 27 HE2 LYS 27 -11.525 5.765 6.990 207 HZ1 LYS 27 HZ1 LYS 27 -14.432 5.208 6.849 208 HZ2 LYS 27 HZ2 LYS 27 -13.327 5.501 5.589 209 HZ3 LYS 27 HZ3 LYS 27 -13.834 6.773 6.593 210 H GLY 28 H GLY 28 -12.359 3.922 2.734 211 HA2 GLY 28 HA3 GLY 28 -15.159 3.465 2.700 212 HA3 GLY 28 HA2 GLY 28 -14.236 4.279 1.447 213 H LYS 29 H LYS 29 -12.531 1.978 0.901 214 HA LYS 29 HA LYS 29 -14.108 0.662 -1.111 215 HB2 LYS 29 HB3 LYS 29 -11.316 -0.118 -0.140 216 HB3 LYS 29 HB2 LYS 29 -12.007 -0.379 -1.738 217 HG2 LYS 29 HG3 LYS 29 -11.379 2.359 -0.573 218 HG3 LYS 29 HG2 LYS 29 -10.334 1.499 -1.687 219 HD2 LYS 29 HD3 LYS 29 -12.113 1.592 -3.419 220 HD3 LYS 29 HD2 LYS 29 -13.175 2.429 -2.301 221 HE2 LYS 29 HE3 LYS 29 -10.478 3.524 -3.168 222 HE3 LYS 29 HE2 LYS 29 -12.027 3.999 -3.871 223 HZ1 LYS 29 HZ1 LYS 29 -12.769 4.600 -1.621 224 HZ2 LYS 29 HZ2 LYS 29 -11.457 5.532 -2.167 225 HZ3 LYS 29 HZ3 LYS 29 -11.206 4.285 -1.041 226 H GLY 30 H GLY 30 -14.172 0.187 2.066 227 HA2 GLY 30 HA3 GLY 30 -15.092 -1.450 3.403 228 HA3 GLY 30 HA2 GLY 30 -15.484 -2.352 1.947 229 H HIS 31 H HIS 31 -12.112 -1.444 2.431 230 HA HIS 31 HA HIS 31 -11.282 -4.187 2.459 231 HB2 HIS 31 HB3 HIS 31 -9.799 -1.552 2.876 232 HB3 HIS 31 HB2 HIS 31 -9.000 -3.123 2.832 233 HD2 HIS 31 HD2 HIS 31 -7.757 -2.345 0.356 234 HE1 HIS 31 HE1 HIS 31 -11.325 -2.747 -1.863 235 HE2 HIS 31 HE2 HIS 31 -8.791 -2.493 -2.041 236 H THR 32 H THR 32 -9.866 -5.102 4.105 237 HA THR 32 HA THR 32 -11.195 -4.804 6.763 238 HB THR 32 HB THR 32 -10.168 -6.966 7.282 239 HG1 THR 32 HG1 THR 32 -9.101 -7.109 4.723 240 HG21 THR 32 HG21 THR 32 -12.265 -6.978 5.884 241 HG22 THR 32 HG22 THR 32 -11.213 -8.345 5.519 242 HG23 THR 32 HG23 THR 32 -11.265 -6.966 4.426 243 H ASP 33 H ASP 33 -9.930 -4.789 8.717 244 HA ASP 33 HA ASP 33 -7.995 -2.713 8.725 245 HB2 ASP 33 HB3 ASP 33 -8.597 -4.847 10.818 246 HB3 ASP 33 HB2 ASP 33 -7.661 -3.381 11.115 247 H ALA 34 H ALA 34 -7.642 -6.273 8.935 248 HA ALA 34 HA ALA 34 -4.853 -6.336 9.335 249 HB1 ALA 34 HB1 ALA 34 -6.575 -8.314 7.770 250 HB2 ALA 34 HB2 ALA 34 -6.316 -8.340 9.510 251 HB3 ALA 34 HB3 ALA 34 -4.965 -8.648 8.420 252 H GLU 35 H GLU 35 -6.687 -6.387 6.183 253 HA GLU 35 HA GLU 35 -4.446 -6.494 4.508 254 HB2 GLU 35 HB3 GLU 35 -7.244 -5.386 4.052 255 HB3 GLU 35 HB2 GLU 35 -6.080 -5.610 2.744 256 HG2 GLU 35 HG3 GLU 35 -5.992 -8.043 3.231 257 HG3 GLU 35 HG2 GLU 35 -7.109 -7.837 4.557 258 H ILE 36 H ILE 36 -6.391 -3.775 5.545 259 HA ILE 36 HA ILE 36 -5.105 -1.732 4.143 260 HB ILE 36 HB ILE 36 -6.458 -1.633 6.864 261 HG12 ILE 36 HG13 ILE 36 -7.537 -0.618 4.191 262 HG13 ILE 36 HG12 ILE 36 -7.790 -2.256 4.703 263 HG21 ILE 36 HG21 ILE 36 -5.499 0.699 5.114 264 HG22 ILE 36 HG22 ILE 36 -5.066 0.381 6.795 265 HG23 ILE 36 HG23 ILE 36 -6.697 0.880 6.388 266 HD11 ILE 36 HD11 ILE 36 -9.713 -0.780 5.247 267 HD12 ILE 36 HD12 ILE 36 -8.672 0.168 6.305 268 HD13 ILE 36 HD13 ILE 36 -9.009 -1.529 6.676 269 H GLU 37 H GLU 37 -4.482 -2.872 7.485 270 HA GLU 37 HA GLU 37 -2.338 -1.296 8.115 271 HB2 GLU 37 HB3 GLU 37 -3.029 -4.056 9.154 272 HB3 GLU 37 HB2 GLU 37 -1.844 -2.975 9.911 273 HG2 GLU 37 HG3 GLU 37 -3.582 -1.243 10.175 274 HG3 GLU 37 HG2 GLU 37 -4.759 -2.298 9.417 275 H ALA 38 H ALA 38 -2.415 -4.520 6.720 276 HA ALA 38 HA ALA 38 0.326 -5.065 6.735 277 HB1 ALA 38 HB1 ALA 38 -0.297 -6.730 4.981 278 HB2 ALA 38 HB2 ALA 38 -1.855 -5.918 4.781 279 HB3 ALA 38 HB3 ALA 38 -1.474 -6.726 6.297 280 H ILE 39 H ILE 39 -1.719 -3.570 4.166 281 HA ILE 39 HA ILE 39 0.359 -3.410 2.207 282 HB ILE 39 HB ILE 39 -2.304 -1.981 2.575 283 HG12 ILE 39 HG13 ILE 39 -2.655 -2.817 0.177 284 HG13 ILE 39 HG12 ILE 39 -1.105 -3.627 0.285 285 HG21 ILE 39 HG21 ILE 39 -2.019 -0.615 0.468 286 HG22 ILE 39 HG22 ILE 39 -0.284 -0.976 0.501 287 HG23 ILE 39 HG23 ILE 39 -1.031 -0.020 1.786 288 HD11 ILE 39 HD11 ILE 39 -2.083 -4.804 2.390 289 HD12 ILE 39 HD12 ILE 39 -2.726 -5.276 0.820 290 HD13 ILE 39 HD13 ILE 39 -3.638 -4.172 1.830 291 H PHE 40 H PHE 40 -0.660 -0.931 4.521 292 HA PHE 40 HA PHE 40 1.299 0.994 3.623 293 HB2 PHE 40 HB3 PHE 40 0.197 2.469 4.972 294 HB3 PHE 40 HB2 PHE 40 -0.983 1.184 5.154 295 HD1 PHE 40 HD2 PHE 40 1.927 2.875 6.770 296 HD2 PHE 40 HD1 PHE 40 -1.140 -0.045 7.176 297 HE1 PHE 40 HE2 PHE 40 2.416 2.669 9.172 298 HE2 PHE 40 HE1 PHE 40 -0.664 -0.317 9.576 299 HZ PHE 40 HZ PHE 40 1.166 1.058 10.599 300 H THR 41 H THR 41 1.105 -1.303 6.333 301 HA THR 41 HA THR 41 3.474 -0.594 7.648 302 HB THR 41 HB THR 41 1.993 -3.225 7.353 303 HG1 THR 41 HG1 THR 41 2.081 -1.368 9.483 304 HG21 THR 41 HG21 THR 41 4.230 -2.470 9.242 305 HG22 THR 41 HG22 THR 41 4.125 -3.879 8.186 306 HG23 THR 41 HG23 THR 41 3.068 -3.746 9.584 307 H LYS 42 H LYS 42 2.949 -2.939 5.063 308 HA LYS 42 HA LYS 42 5.671 -3.866 4.934 309 HB2 LYS 42 HB3 LYS 42 3.268 -3.968 3.073 310 HB3 LYS 42 HB2 LYS 42 4.814 -4.698 2.633 311 HG2 LYS 42 HG3 LYS 42 4.718 -6.184 4.609 312 HG3 LYS 42 HG2 LYS 42 3.250 -5.400 5.174 313 HD2 LYS 42 HD3 LYS 42 2.692 -7.547 4.067 314 HD3 LYS 42 HD2 LYS 42 2.023 -6.202 3.143 315 HE2 LYS 42 HE3 LYS 42 3.705 -6.441 1.414 316 HE3 LYS 42 HE2 LYS 42 4.725 -7.455 2.444 317 HZ1 LYS 42 HZ1 LYS 42 2.540 -8.182 0.768 318 HZ2 LYS 42 HZ2 LYS 42 2.304 -8.732 2.359 319 HZ3 LYS 42 HZ3 LYS 42 3.710 -9.165 1.507 320 H TYR 43 H TYR 43 3.781 -1.603 2.871 321 HA TYR 43 HA TYR 43 6.012 -0.867 1.239 322 HB2 TYR 43 HB3 TYR 43 3.280 0.382 1.653 323 HB3 TYR 43 HB2 TYR 43 4.481 1.143 0.624 324 HD1 TYR 43 HD1 TYR 43 3.391 -2.472 1.091 325 HD2 TYR 43 HD2 TYR 43 3.922 0.797 -1.690 326 HE1 TYR 43 HE1 TYR 43 2.772 -3.946 -0.778 327 HE2 TYR 43 HE2 TYR 43 3.305 -0.717 -3.539 328 HH TYR 43 HH TYR 43 3.317 -3.982 -3.288 329 H ASP 44 H ASP 44 4.765 0.464 4.250 330 HA ASP 44 HA ASP 44 6.856 2.592 4.225 331 HB2 ASP 44 HB3 ASP 44 4.219 2.984 4.588 332 HB3 ASP 44 HB2 ASP 44 4.550 2.481 6.226 333 H GLN 45 H GLN 45 8.620 1.678 5.097 334 HA GLN 45 HA GLN 45 8.764 -0.533 6.786 335 HB2 GLN 45 HB3 GLN 45 10.682 1.747 6.168 336 HB3 GLN 45 HB2 GLN 45 11.176 0.460 7.263 337 HG2 GLN 45 HG3 GLN 45 11.932 0.039 4.901 338 HG3 GLN 45 HG2 GLN 45 10.853 -1.229 5.480 339 HE21 GLN 45 HE21 GLN 45 8.505 -1.027 4.758 340 HE22 GLN 45 HE22 GLN 45 8.198 -0.322 3.244 341 H ASP 46 H ASP 46 9.058 2.991 7.857 342 HA ASP 46 HA ASP 46 8.724 2.088 10.661 343 HB2 ASP 46 HB3 ASP 46 9.709 4.725 9.494 344 HB3 ASP 46 HB2 ASP 46 9.744 4.262 11.188 345 H GLY 47 H GLY 47 6.800 3.181 8.147 346 HA2 GLY 47 HA3 GLY 47 4.657 4.163 8.093 347 HA3 GLY 47 HA2 GLY 47 4.546 3.635 9.742 348 H ASP 48 H ASP 48 7.129 5.813 9.053 349 HA ASP 48 HA ASP 48 5.744 8.062 10.489 350 HB2 ASP 48 HB3 ASP 48 8.686 7.252 10.411 351 HB3 ASP 48 HB2 ASP 48 8.008 8.569 11.373 352 H GLN 49 H GLN 49 7.348 7.178 7.565 353 HA GLN 49 HA GLN 49 7.583 10.049 6.711 354 HB2 GLN 49 HB3 GLN 49 9.466 9.348 5.238 355 HB3 GLN 49 HB2 GLN 49 9.845 9.110 6.942 356 HG2 GLN 49 HG3 GLN 49 8.888 6.875 5.080 357 HG3 GLN 49 HG2 GLN 49 10.573 7.199 5.468 358 HE21 GLN 49 HE21 GLN 49 8.401 4.956 6.233 359 HE22 GLN 49 HE22 GLN 49 8.726 4.724 7.881 360 H GLU 50 H GLU 50 7.727 10.197 4.311 361 HA GLU 50 HA GLU 50 5.314 9.235 3.143 362 HB2 GLU 50 HB3 GLU 50 7.535 10.973 2.007 363 HB3 GLU 50 HB2 GLU 50 5.995 10.650 1.204 364 HG2 GLU 50 HG3 GLU 50 4.782 11.697 3.139 365 HG3 GLU 50 HG2 GLU 50 6.328 12.057 3.900 366 H LEU 51 H LEU 51 5.151 7.936 1.268 367 HA LEU 51 HA LEU 51 7.231 5.877 1.125 368 HB2 LEU 51 HB3 LEU 51 4.455 6.214 -0.048 369 HB3 LEU 51 HB2 LEU 51 5.492 4.912 -0.620 370 HG LEU 51 HG LEU 51 5.602 3.959 1.680 371 HD11 LEU 51 HD11 LEU 51 3.957 4.981 3.410 372 HD12 LEU 51 HD12 LEU 51 3.966 6.411 2.413 373 HD13 LEU 51 HD13 LEU 51 5.464 5.838 3.136 374 HD21 LEU 51 HD21 LEU 51 2.693 4.536 0.939 375 HD22 LEU 51 HD22 LEU 51 3.308 3.128 1.795 376 HD23 LEU 51 HD23 LEU 51 3.683 3.360 0.093 377 H THR 52 H THR 52 8.862 6.077 -0.248 378 HA THR 52 HA THR 52 8.969 7.936 -2.408 379 HB THR 52 HB THR 52 10.919 5.770 -1.488 380 HG1 THR 52 HG1 THR 52 11.886 7.784 -0.601 381 HG21 THR 52 HG21 THR 52 11.281 8.178 -3.352 382 HG22 THR 52 HG22 THR 52 11.646 6.482 -3.709 383 HG23 THR 52 HG23 THR 52 12.625 7.376 -2.541 384 H GLU 53 H GLU 53 9.739 7.262 -4.387 385 HA GLU 53 HA GLU 53 7.851 5.605 -5.719 386 HB2 GLU 53 HB3 GLU 53 10.408 6.934 -6.658 387 HB3 GLU 53 HB2 GLU 53 9.270 6.140 -7.753 388 HG2 GLU 53 HG3 GLU 53 7.469 7.728 -6.966 389 HG3 GLU 53 HG2 GLU 53 8.661 8.549 -5.955 390 H HIS 54 H HIS 54 11.337 5.329 -5.375 391 HA HIS 54 HA HIS 54 11.670 2.869 -6.670 392 HB2 HIS 54 HB3 HIS 54 13.329 3.806 -4.282 393 HB3 HIS 54 HB2 HIS 54 13.819 2.584 -5.459 394 HD2 HIS 54 HD2 HIS 54 13.788 3.792 -8.251 395 HE1 HIS 54 HE1 HIS 54 14.897 7.562 -6.711 396 HE2 HIS 54 HE2 HIS 54 14.719 6.163 -8.824 397 H GLU 55 H GLU 55 11.294 3.278 -3.078 398 HA GLU 55 HA GLU 55 11.104 0.548 -2.469 399 HB2 GLU 55 HB3 GLU 55 9.925 3.012 -1.106 400 HB3 GLU 55 HB2 GLU 55 10.066 1.431 -0.332 401 HG2 GLU 55 HG3 GLU 55 12.418 3.089 -1.376 402 HG3 GLU 55 HG2 GLU 55 11.935 2.985 0.316 403 H HIS 56 H HIS 56 8.514 2.975 -3.039 404 HA HIS 56 HA HIS 56 6.309 1.257 -2.674 405 HB2 HIS 56 HB3 HIS 56 6.076 3.716 -2.748 406 HB3 HIS 56 HB2 HIS 56 6.563 3.727 -4.439 407 HD2 HIS 56 HD2 HIS 56 3.365 3.229 -2.351 408 HE1 HIS 56 HE1 HIS 56 2.412 2.071 -6.280 409 HE2 HIS 56 HE2 HIS 56 1.478 2.494 -3.964 410 H GLN 57 H GLN 57 7.976 2.167 -5.797 411 HA GLN 57 HA GLN 57 6.343 0.485 -7.423 412 HB2 GLN 57 HB3 GLN 57 9.077 1.762 -7.822 413 HB3 GLN 57 HB2 GLN 57 8.506 0.586 -8.993 414 HG2 GLN 57 HG3 GLN 57 7.877 2.704 -9.895 415 HG3 GLN 57 HG2 GLN 57 6.398 2.040 -9.246 416 HE21 GLN 57 HE21 GLN 57 6.445 2.841 -6.569 417 HE22 GLN 57 HE22 GLN 57 6.568 4.528 -6.458 418 H GLN 58 H GLN 58 9.287 -0.267 -5.537 419 HA GLN 58 HA GLN 58 9.846 -2.762 -6.762 420 HB2 GLN 58 HB3 GLN 58 11.343 -1.415 -5.149 421 HB3 GLN 58 HB2 GLN 58 10.373 -2.046 -3.826 422 HG2 GLN 58 HG3 GLN 58 12.356 -3.464 -4.047 423 HG3 GLN 58 HG2 GLN 58 10.978 -4.404 -4.620 424 HE21 GLN 58 HE21 GLN 58 11.806 -5.650 -6.360 425 HE22 GLN 58 HE22 GLN 58 12.720 -5.008 -7.640 426 H MET 59 H MET 59 8.091 -2.066 -3.691 427 HA MET 59 HA MET 59 7.217 -4.706 -3.191 428 HB2 MET 59 HB3 MET 59 5.853 -2.101 -2.415 429 HB3 MET 59 HB2 MET 59 5.612 -3.665 -1.629 430 HG2 MET 59 HG3 MET 59 8.255 -2.177 -1.754 431 HG3 MET 59 HG2 MET 59 7.185 -2.168 -0.382 432 HE1 MET 59 HE1 MET 59 10.440 -3.505 -1.160 433 HE2 MET 59 HE2 MET 59 9.606 -4.175 -2.558 434 HE3 MET 59 HE3 MET 59 10.314 -5.262 -1.359 435 H ARG 60 H ARG 60 5.874 -2.133 -5.144 436 HA ARG 60 HA ARG 60 3.293 -3.157 -5.597 437 HB2 ARG 60 HB3 ARG 60 4.155 -0.876 -6.275 438 HB3 ARG 60 HB2 ARG 60 4.998 -1.644 -7.616 439 HG2 ARG 60 HG3 ARG 60 2.776 -2.547 -8.426 440 HG3 ARG 60 HG2 ARG 60 1.995 -1.657 -7.121 441 HD2 ARG 60 HD3 ARG 60 1.839 -0.368 -9.182 442 HD3 ARG 60 HD2 ARG 60 2.950 0.446 -8.078 443 HE ARG 60 HE ARG 60 4.675 0.060 -9.578 444 HH11 ARG 60 HH21 ARG 60 2.008 -2.061 -10.349 445 HH12 ARG 60 HH22 ARG 60 2.751 -2.667 -11.791 446 HH21 ARG 60 HH11 ARG 60 5.622 -0.763 -11.453 447 HH22 ARG 60 HH12 ARG 60 4.782 -1.936 -12.411 448 H ASP 61 H ASP 61 6.305 -3.696 -7.549 449 HA ASP 61 HA ASP 61 5.226 -5.476 -9.415 450 HB2 ASP 61 HB3 ASP 61 8.014 -5.238 -8.201 451 HB3 ASP 61 HB2 ASP 61 7.659 -6.171 -9.658 452 H ASP 62 H ASP 62 6.534 -5.992 -6.171 453 HA ASP 62 HA ASP 62 6.558 -8.859 -6.198 454 HB2 ASP 62 HB3 ASP 62 6.381 -6.961 -3.811 455 HB3 ASP 62 HB2 ASP 62 6.814 -8.663 -3.743 456 H LEU 63 H LEU 63 4.178 -6.386 -5.197 457 HA LEU 63 HA LEU 63 2.313 -8.108 -4.015 458 HB2 LEU 63 HB3 LEU 63 2.255 -5.618 -3.867 459 HB3 LEU 63 HB2 LEU 63 1.756 -5.540 -5.550 460 HG LEU 63 HG LEU 63 -0.333 -6.862 -4.937 461 HD11 LEU 63 HD11 LEU 63 0.144 -8.106 -2.983 462 HD12 LEU 63 HD12 LEU 63 -0.865 -6.822 -2.344 463 HD13 LEU 63 HD13 LEU 63 0.888 -6.738 -2.154 464 HD21 LEU 63 HD21 LEU 63 0.079 -4.328 -3.349 465 HD22 LEU 63 HD22 LEU 63 -1.482 -5.000 -3.807 466 HD23 LEU 63 HD23 LEU 63 -0.382 -4.404 -5.050 467 H GLU 64 H GLU 64 2.483 -6.872 -7.398 468 HA GLU 64 HA GLU 64 0.187 -8.208 -8.385 469 HB2 GLU 64 HB3 GLU 64 2.812 -7.496 -9.758 470 HB3 GLU 64 HB2 GLU 64 1.366 -7.978 -10.644 471 HG2 GLU 64 HG3 GLU 64 1.542 -5.549 -8.786 472 HG3 GLU 64 HG2 GLU 64 1.656 -5.474 -10.542 473 H LYS 65 H LYS 65 3.560 -9.363 -8.160 474 HA LYS 65 HA LYS 65 3.206 -11.937 -9.350 475 HB2 LYS 65 HB3 LYS 65 5.186 -10.791 -7.333 476 HB3 LYS 65 HB2 LYS 65 5.360 -12.427 -7.980 477 HG2 LYS 65 HG3 LYS 65 5.484 -11.502 -10.289 478 HG3 LYS 65 HG2 LYS 65 5.290 -9.870 -9.661 479 HD2 LYS 65 HD3 LYS 65 7.418 -10.114 -8.361 480 HD3 LYS 65 HD2 LYS 65 7.610 -11.749 -8.995 481 HE2 LYS 65 HE3 LYS 65 7.751 -10.843 -11.308 482 HE3 LYS 65 HE2 LYS 65 7.559 -9.205 -10.677 483 HZ1 LYS 65 HZ1 LYS 65 9.845 -9.489 -10.872 484 HZ2 LYS 65 HZ2 LYS 65 9.809 -11.079 -10.277 485 HZ3 LYS 65 HZ3 LYS 65 9.553 -9.769 -9.226 486 H GLU 66 H GLU 66 2.989 -10.868 -5.939 487 HA GLU 66 HA GLU 66 2.493 -13.465 -4.802 488 HB2 GLU 66 HB3 GLU 66 2.003 -10.613 -3.850 489 HB3 GLU 66 HB2 GLU 66 1.609 -11.990 -2.822 490 HG2 GLU 66 HG3 GLU 66 4.401 -11.435 -3.952 491 HG3 GLU 66 HG2 GLU 66 3.886 -10.985 -2.332 492 H ARG 67 H ARG 67 0.320 -10.808 -5.816 493 HA ARG 67 HA ARG 67 -2.144 -11.915 -5.068 494 HB2 ARG 67 HB3 ARG 67 -1.345 -10.063 -7.334 495 HB3 ARG 67 HB2 ARG 67 -3.035 -10.516 -7.104 496 HG2 ARG 67 HG3 ARG 67 -3.011 -9.561 -4.816 497 HG3 ARG 67 HG2 ARG 67 -1.305 -9.163 -4.963 498 HD2 ARG 67 HD3 ARG 67 -2.753 -7.169 -5.411 499 HD3 ARG 67 HD2 ARG 67 -1.804 -7.614 -6.840 500 HE ARG 67 HE ARG 67 -4.326 -8.945 -6.888 501 HH11 ARG 67 HH21 ARG 67 -2.908 -5.797 -7.290 502 HH12 ARG 67 HH22 ARG 67 -4.160 -5.226 -8.342 503 HH21 ARG 67 HH11 ARG 67 -5.941 -8.193 -8.280 504 HH22 ARG 67 HH12 ARG 67 -5.869 -6.578 -8.902 505 H GLU 68 H GLU 68 -0.257 -12.447 -8.074 506 HA GLU 68 HA GLU 68 -2.167 -14.073 -9.423 507 HB2 GLU 68 HB3 GLU 68 -0.139 -13.017 -10.482 508 HB3 GLU 68 HB2 GLU 68 0.885 -14.180 -9.642 509 HG2 GLU 68 HG3 GLU 68 -0.286 -16.056 -10.818 510 HG3 GLU 68 HG2 GLU 68 -1.313 -14.892 -11.647 511 H ASP 69 H ASP 69 0.868 -15.195 -7.858 512 HA ASP 69 HA ASP 69 0.289 -17.915 -7.750 513 HB2 ASP 69 HB3 ASP 69 1.891 -16.338 -5.685 514 HB3 ASP 69 HB2 ASP 69 2.009 -18.075 -5.975 515 H LEU 70 H LEU 70 -0.545 -15.402 -5.366 516 HA LEU 70 HA LEU 70 -1.645 -17.062 -3.370 517 HB2 LEU 70 HB3 LEU 70 -1.083 -14.677 -2.941 518 HB3 LEU 70 HB2 LEU 70 -2.325 -14.181 -4.082 519 HG LEU 70 HG LEU 70 -4.110 -15.115 -2.573 520 HD11 LEU 70 HD11 LEU 70 -3.103 -16.939 -1.431 521 HD12 LEU 70 HD12 LEU 70 -3.331 -15.743 -0.167 522 HD13 LEU 70 HD13 LEU 70 -1.731 -15.975 -0.871 523 HD21 LEU 70 HD21 LEU 70 -3.911 -13.448 -0.767 524 HD22 LEU 70 HD22 LEU 70 -3.431 -12.752 -2.311 525 HD23 LEU 70 HD23 LEU 70 -2.200 -13.228 -1.139 526 H ASP 71 H ASP 71 -3.078 -15.585 -6.260 527 HA ASP 71 HA ASP 71 -5.810 -16.103 -5.703 528 HB2 ASP 71 HB3 ASP 71 -5.009 -14.621 -7.570 529 HB3 ASP 71 HB2 ASP 71 -4.499 -16.044 -8.467 530 H LEU 72 H LEU 72 -3.422 -18.021 -7.568 531 HA LEU 72 HA LEU 72 -5.170 -20.272 -7.987 532 HB2 LEU 72 HB3 LEU 72 -2.182 -19.763 -8.275 533 HB3 LEU 72 HB2 LEU 72 -2.803 -21.406 -8.450 534 HG LEU 72 HG LEU 72 -4.315 -20.637 -10.295 535 HD11 LEU 72 HD11 LEU 72 -3.026 -17.926 -9.791 536 HD12 LEU 72 HD12 LEU 72 -4.737 -18.341 -9.740 537 HD13 LEU 72 HD13 LEU 72 -3.893 -18.317 -11.280 538 HD21 LEU 72 HD21 LEU 72 -1.393 -19.860 -10.735 539 HD22 LEU 72 HD22 LEU 72 -2.553 -20.263 -12.004 540 HD23 LEU 72 HD23 LEU 72 -2.046 -21.497 -10.853 541 H ASP 73 H ASP 73 -6.036 -20.912 -6.010 542 HA ASP 73 HA ASP 73 -4.624 -21.343 -3.583 543 HB2 ASP 73 HB3 ASP 73 -7.107 -21.118 -3.762 544 HB3 ASP 73 HB2 ASP 73 -7.191 -22.658 -4.609 545 H HIS 74 H HIS 74 -3.541 -23.149 -2.819 546 HA HIS 74 HA HIS 74 -2.378 -25.000 -4.640 547 HB2 HIS 74 HB3 HIS 74 -2.600 -25.048 -1.598 548 HB3 HIS 74 HB2 HIS 74 -1.491 -26.046 -2.539 549 HD2 HIS 74 HD2 HIS 74 0.631 -24.540 -3.822 550 HE1 HIS 74 HE1 HIS 74 -0.024 -21.028 -1.572 551 HE2 HIS 74 HE2 HIS 74 1.575 -22.196 -3.162 552 H SER 75 H SER 75 -4.872 -25.430 -2.117 553 HA SER 75 HA SER 75 -5.443 -28.179 -2.781 554 HB2 SER 75 HB3 SER 75 -7.281 -27.955 -1.179 555 HB3 SER 75 HB2 SER 75 -5.856 -27.155 -0.518 556 HG SER 75 HG SER 75 -7.082 -25.461 -0.398 557 H SER 76 H SER 76 -5.793 -28.088 -5.051 558 HA SER 76 HA SER 76 -7.735 -26.466 -6.371 559 HB2 SER 76 HB3 SER 76 -7.500 -28.097 -8.225 560 HB3 SER 76 HB2 SER 76 -5.912 -27.717 -7.554 561 HG SER 76 HG SER 76 -5.734 -29.740 -7.044 562 H LEU 77 H LEU 77 -7.880 -29.429 -4.534 563 HA LEU 77 HA LEU 77 -10.387 -30.405 -5.453 564 HB2 LEU 77 HB3 LEU 77 -9.013 -30.907 -2.774 565 HB3 LEU 77 HB2 LEU 77 -10.288 -31.907 -3.484 566 HG LEU 77 HG LEU 77 -7.469 -31.496 -4.637 567 HD11 LEU 77 HD11 LEU 77 -7.522 -32.956 -2.621 568 HD12 LEU 77 HD12 LEU 77 -7.133 -33.895 -4.061 569 HD13 LEU 77 HD13 LEU 77 -8.758 -33.963 -3.379 570 HD21 LEU 77 HD21 LEU 77 -8.827 -31.869 -6.562 571 HD22 LEU 77 HD22 LEU 77 -9.881 -33.016 -5.734 572 HD23 LEU 77 HD23 LEU 77 -8.236 -33.476 -6.182 573 HA PRO 78 HA PRO 78 -13.102 -27.590 -3.138 574 HB2 PRO 78 HB3 PRO 78 -15.523 -28.866 -3.245 575 HB3 PRO 78 HB2 PRO 78 -14.745 -28.265 -4.734 576 HG2 PRO 78 HG3 PRO 78 -14.664 -31.069 -3.596 577 HG3 PRO 78 HG2 PRO 78 -15.080 -30.557 -5.250 578 HD2 PRO 78 HD2 PRO 78 -12.537 -31.402 -4.649 579 HD3 PRO 78 HD3 PRO 78 -12.814 -30.101 -5.826 Start of MODEL 8 1 H1 ASN 1 1H ASN 1 -17.546 -7.500 -11.860 2 H2 ASN 1 2H ASN 1 -17.791 -8.686 -13.053 3 H3 ASN 1 3H ASN 1 -16.961 -7.253 -13.433 4 HA ASN 1 HA ASN 1 -15.668 -8.459 -11.261 5 HB2 ASN 1 HB3 ASN 1 -16.100 -10.264 -13.686 6 HB3 ASN 1 HB2 ASN 1 -14.984 -10.597 -12.358 7 HD21 ASN 1 HD21 ASN 1 -17.564 -12.018 -13.302 8 HD22 ASN 1 HD22 ASN 1 -18.489 -12.153 -11.885 9 H THR 2 H THR 2 -15.917 -7.634 -14.688 10 HA THR 2 HA THR 2 -13.153 -7.545 -15.323 11 HB THR 2 HB THR 2 -15.389 -5.835 -16.521 12 HG1 THR 2 HG1 THR 2 -16.146 -7.693 -17.055 13 HG21 THR 2 HG21 THR 2 -13.987 -5.971 -18.583 14 HG22 THR 2 HG22 THR 2 -12.747 -6.839 -17.686 15 HG23 THR 2 HG23 THR 2 -13.115 -5.163 -17.281 16 H VAL 3 H VAL 3 -15.379 -5.063 -14.047 17 HA VAL 3 HA VAL 3 -13.347 -2.987 -13.934 18 HB VAL 3 HB VAL 3 -15.175 -1.651 -12.878 19 HG11 VAL 3 HG11 VAL 3 -16.727 -1.682 -14.837 20 HG12 VAL 3 HG12 VAL 3 -16.073 -3.244 -15.338 21 HG13 VAL 3 HG13 VAL 3 -15.048 -1.807 -15.367 22 HG21 VAL 3 HG21 VAL 3 -16.292 -3.482 -11.582 23 HG22 VAL 3 HG22 VAL 3 -16.799 -4.246 -13.084 24 HG23 VAL 3 HG23 VAL 3 -17.451 -2.672 -12.632 25 H ASP 4 H ASP 4 -13.009 -5.599 -12.346 26 HA ASP 4 HA ASP 4 -13.192 -4.880 -9.541 27 HB2 ASP 4 HB3 ASP 4 -11.826 -6.938 -9.195 28 HB3 ASP 4 HB2 ASP 4 -13.175 -7.249 -10.278 29 H ASP 5 H ASP 5 -11.959 -2.744 -10.892 30 HA ASP 5 HA ASP 5 -9.071 -2.852 -10.681 31 HB2 ASP 5 HB3 ASP 5 -10.259 -1.368 -12.320 32 HB3 ASP 5 HB2 ASP 5 -10.923 -0.434 -10.984 33 H ILE 6 H ILE 6 -9.738 -3.792 -8.332 34 HA ILE 6 HA ILE 6 -10.179 -1.807 -6.270 35 HB ILE 6 HB ILE 6 -10.923 -4.149 -5.974 36 HG12 ILE 6 HG13 ILE 6 -8.670 -3.558 -3.963 37 HG13 ILE 6 HG12 ILE 6 -10.208 -2.703 -3.954 38 HG21 ILE 6 HG21 ILE 6 -7.954 -4.897 -5.955 39 HG22 ILE 6 HG22 ILE 6 -9.076 -5.257 -7.265 40 HG23 ILE 6 HG23 ILE 6 -9.302 -5.996 -5.681 41 HD11 ILE 6 HD11 ILE 6 -10.187 -4.573 -2.339 42 HD12 ILE 6 HD12 ILE 6 -9.921 -5.716 -3.651 43 HD13 ILE 6 HD13 ILE 6 -11.421 -4.787 -3.576 44 H SER 7 H SER 7 -7.433 -3.262 -7.876 45 HA SER 7 HA SER 7 -5.406 -2.545 -6.000 46 HB2 SER 7 HB3 SER 7 -3.839 -3.110 -7.779 47 HB3 SER 7 HB2 SER 7 -5.168 -4.269 -7.816 48 HG SER 7 HG SER 7 -5.872 -3.419 -9.644 49 H GLU 8 H GLU 8 -7.398 -0.415 -7.316 50 HA GLU 8 HA GLU 8 -5.785 1.501 -8.649 51 HB2 GLU 8 HB3 GLU 8 -8.305 1.392 -8.678 52 HB3 GLU 8 HB2 GLU 8 -8.327 1.977 -7.018 53 HG2 GLU 8 HG3 GLU 8 -7.162 4.070 -7.756 54 HG3 GLU 8 HG2 GLU 8 -7.148 3.473 -9.410 55 H SER 9 H SER 9 -6.767 1.183 -5.219 56 HA SER 9 HA SER 9 -5.365 3.525 -4.293 57 HB2 SER 9 HB3 SER 9 -5.850 2.577 -2.035 58 HB3 SER 9 HB2 SER 9 -7.279 2.546 -3.068 59 HG SER 9 HG SER 9 -7.287 0.471 -2.852 60 H LEU 10 H LEU 10 -4.647 0.026 -4.231 61 HA LEU 10 HA LEU 10 -2.192 0.089 -2.872 62 HB2 LEU 10 HB3 LEU 10 -2.885 -1.890 -5.098 63 HB3 LEU 10 HB2 LEU 10 -1.879 -2.157 -3.670 64 HG LEU 10 HG LEU 10 -4.913 -1.756 -3.695 65 HD11 LEU 10 HD11 LEU 10 -3.228 -4.182 -2.954 66 HD12 LEU 10 HD12 LEU 10 -4.154 -4.010 -4.439 67 HD13 LEU 10 HD13 LEU 10 -4.986 -4.095 -2.891 68 HD21 LEU 10 HD21 LEU 10 -4.723 -2.317 -1.219 69 HD22 LEU 10 HD22 LEU 10 -4.123 -0.738 -1.663 70 HD23 LEU 10 HD23 LEU 10 -2.980 -2.049 -1.364 71 H ARG 11 H ARG 11 -2.965 0.788 -6.217 72 HA ARG 11 HA ARG 11 -0.438 0.538 -7.423 73 HB2 ARG 11 HB3 ARG 11 -2.585 0.927 -8.661 74 HB3 ARG 11 HB2 ARG 11 -2.623 2.579 -8.062 75 HG2 ARG 11 HG3 ARG 11 -0.457 3.051 -9.227 76 HG3 ARG 11 HG2 ARG 11 -0.425 1.394 -9.812 77 HD2 ARG 11 HD3 ARG 11 -2.557 1.815 -11.058 78 HD3 ARG 11 HD2 ARG 11 -2.536 3.483 -10.477 79 HE ARG 11 HE ARG 11 -0.891 3.975 -12.031 80 HH11 ARG 11 HH21 ARG 11 -1.041 0.517 -11.574 81 HH12 ARG 11 HH22 ARG 11 0.079 0.173 -12.851 82 HH21 ARG 11 HH11 ARG 11 0.588 3.502 -13.672 83 HH22 ARG 11 HH12 ARG 11 0.994 1.857 -14.034 84 H GLN 12 H GLN 12 -1.931 3.218 -5.633 85 HA GLN 12 HA GLN 12 -1.080 5.184 -4.796 86 HB2 GLN 12 HB3 GLN 12 1.374 3.388 -4.576 87 HB3 GLN 12 HB2 GLN 12 1.226 4.923 -3.783 88 HG2 GLN 12 HG3 GLN 12 -0.772 4.100 -2.533 89 HG3 GLN 12 HG2 GLN 12 -0.611 2.546 -3.338 90 HE21 GLN 12 HE21 GLN 12 -0.479 1.981 -0.820 91 HE22 GLN 12 HE22 GLN 12 1.093 1.910 -0.181 92 H GLY 13 H GLY 13 2.147 5.282 -5.381 93 HA2 GLY 13 HA3 GLY 13 3.555 6.238 -6.924 94 HA3 GLY 13 HA2 GLY 13 2.302 6.081 -8.152 95 H GLY 14 H GLY 14 1.355 7.604 -5.248 96 HA2 GLY 14 HA3 GLY 14 0.899 10.185 -6.532 97 HA3 GLY 14 HA2 GLY 14 0.463 9.713 -4.892 98 H GLY 15 H GLY 15 3.627 8.832 -5.351 99 HA2 GLY 15 HA3 GLY 15 5.666 9.674 -4.708 100 HA3 GLY 15 HA2 GLY 15 5.047 11.293 -5.018 101 H LYS 16 H LYS 16 3.505 12.154 -3.301 102 HA LYS 16 HA LYS 16 4.682 11.753 -0.628 103 HB2 LYS 16 HB3 LYS 16 2.803 13.786 -1.882 104 HB3 LYS 16 HB2 LYS 16 2.777 13.611 -0.125 105 HG2 LYS 16 HG3 LYS 16 4.338 15.416 -0.775 106 HG3 LYS 16 HG2 LYS 16 5.227 14.081 -0.040 107 HD2 LYS 16 HD3 LYS 16 5.835 13.252 -2.346 108 HD3 LYS 16 HD2 LYS 16 4.975 14.622 -3.043 109 HE2 LYS 16 HE3 LYS 16 6.549 16.158 -1.864 110 HE3 LYS 16 HE2 LYS 16 7.390 14.751 -1.192 111 HZ1 LYS 16 HZ1 LYS 16 7.833 15.948 -3.648 112 HZ2 LYS 16 HZ2 LYS 16 7.066 14.472 -3.994 113 HZ3 LYS 16 HZ3 LYS 16 8.499 14.494 -3.082 114 H LEU 17 H LEU 17 3.949 10.163 0.551 115 HA LEU 17 HA LEU 17 1.091 9.750 0.974 116 HB2 LEU 17 HB3 LEU 17 2.898 7.842 -0.527 117 HB3 LEU 17 HB2 LEU 17 1.759 7.098 0.578 118 HG LEU 17 HG LEU 17 0.938 9.034 -1.639 119 HD11 LEU 17 HD11 LEU 17 0.107 7.013 -2.830 120 HD12 LEU 17 HD12 LEU 17 0.926 6.027 -1.622 121 HD13 LEU 17 HD13 LEU 17 1.860 7.084 -2.672 122 HD21 LEU 17 HD21 LEU 17 -1.353 7.632 -1.071 123 HD22 LEU 17 HD22 LEU 17 -0.928 9.126 -0.267 124 HD23 LEU 17 HD23 LEU 17 -0.599 7.594 0.525 125 H ASN 18 H ASN 18 0.672 9.046 2.900 126 HA ASN 18 HA ASN 18 2.719 7.875 4.681 127 HB2 ASN 18 HB3 ASN 18 1.722 9.503 6.505 128 HB3 ASN 18 HB2 ASN 18 2.912 10.164 5.388 129 HD21 ASN 18 HD21 ASN 18 -0.036 10.942 6.754 130 HD22 ASN 18 HD22 ASN 18 -0.631 11.959 5.533 131 H PHE 19 H PHE 19 1.828 6.540 6.126 132 HA PHE 19 HA PHE 19 -0.094 4.820 5.735 133 HB2 PHE 19 HB3 PHE 19 -0.206 4.393 8.155 134 HB3 PHE 19 HB2 PHE 19 1.438 4.854 7.710 135 HD1 PHE 19 HD2 PHE 19 2.209 7.257 8.032 136 HD2 PHE 19 HD1 PHE 19 -1.489 5.800 9.723 137 HE1 PHE 19 HE2 PHE 19 2.148 9.187 9.582 138 HE2 PHE 19 HE1 PHE 19 -1.551 7.750 11.251 139 HZ PHE 19 HZ PHE 19 0.266 9.443 11.184 140 H ASP 20 H ASP 20 -0.760 8.051 6.936 141 HA ASP 20 HA ASP 20 -3.471 7.574 7.752 142 HB2 ASP 20 HB3 ASP 20 -1.989 9.446 8.537 143 HB3 ASP 20 HB2 ASP 20 -2.064 10.168 6.937 144 H GLU 21 H GLU 21 -1.951 8.996 4.939 145 HA GLU 21 HA GLU 21 -4.247 9.538 3.394 146 HB2 GLU 21 HB3 GLU 21 -1.442 8.794 2.446 147 HB3 GLU 21 HB2 GLU 21 -2.688 9.466 1.398 148 HG2 GLU 21 HG3 GLU 21 -1.587 10.850 3.878 149 HG3 GLU 21 HG2 GLU 21 -1.044 11.187 2.237 150 H LEU 22 H LEU 22 -2.363 6.608 3.689 151 HA LEU 22 HA LEU 22 -3.885 5.052 1.710 152 HB2 LEU 22 HB3 LEU 22 -2.039 4.105 3.960 153 HB3 LEU 22 HB2 LEU 22 -2.509 3.170 2.533 154 HG LEU 22 HG LEU 22 -0.895 5.755 2.526 155 HD11 LEU 22 HD11 LEU 22 -0.046 2.866 2.122 156 HD12 LEU 22 HD12 LEU 22 0.512 4.007 3.345 157 HD13 LEU 22 HD13 LEU 22 0.959 4.237 1.670 158 HD21 LEU 22 HD21 LEU 22 -2.111 5.700 0.438 159 HD22 LEU 22 HD22 LEU 22 -1.899 3.965 0.251 160 HD23 LEU 22 HD23 LEU 22 -0.536 5.053 0.032 161 H ARG 23 H ARG 23 -3.681 5.114 5.211 162 HA ARG 23 HA ARG 23 -5.639 3.112 5.628 163 HB2 ARG 23 HB3 ARG 23 -4.082 3.956 7.399 164 HB3 ARG 23 HB2 ARG 23 -5.023 5.448 7.473 165 HG2 ARG 23 HG3 ARG 23 -7.096 3.905 8.004 166 HG3 ARG 23 HG2 ARG 23 -5.922 2.621 8.192 167 HD2 ARG 23 HD3 ARG 23 -5.873 5.193 9.737 168 HD3 ARG 23 HD2 ARG 23 -6.538 3.672 10.333 169 HE ARG 23 HE ARG 23 -3.893 3.203 9.445 170 HH11 ARG 23 HH21 ARG 23 -5.611 4.849 11.979 171 HH12 ARG 23 HH22 ARG 23 -4.303 4.754 13.110 172 HH21 ARG 23 HH11 ARG 23 -2.187 3.086 10.927 173 HH22 ARG 23 HH12 ARG 23 -2.368 3.758 12.513 174 H GLN 24 H GLN 24 -5.981 6.634 5.799 175 HA GLN 24 HA GLN 24 -8.731 6.769 6.282 176 HB2 GLN 24 HB3 GLN 24 -6.916 8.731 4.819 177 HB3 GLN 24 HB2 GLN 24 -8.509 9.141 5.456 178 HG2 GLN 24 HG3 GLN 24 -6.438 7.898 7.311 179 HG3 GLN 24 HG2 GLN 24 -6.357 9.617 6.943 180 HE21 GLN 24 HE21 GLN 24 -7.429 7.639 9.310 181 HE22 GLN 24 HE22 GLN 24 -8.783 8.507 9.850 182 H ASP 25 H ASP 25 -6.991 6.502 3.158 183 HA ASP 25 HA ASP 25 -9.330 6.995 1.563 184 HB2 ASP 25 HB3 ASP 25 -7.014 7.478 0.788 185 HB3 ASP 25 HB2 ASP 25 -6.592 5.778 0.962 186 H LEU 26 H LEU 26 -7.286 4.260 2.599 187 HA LEU 26 HA LEU 26 -8.774 2.218 1.239 188 HB2 LEU 26 HB3 LEU 26 -6.914 1.956 3.601 189 HB3 LEU 26 HB2 LEU 26 -7.596 0.578 2.768 190 HG LEU 26 HG LEU 26 -5.971 2.643 1.197 191 HD11 LEU 26 HD11 LEU 26 -3.983 1.207 1.479 192 HD12 LEU 26 HD12 LEU 26 -4.886 0.117 2.536 193 HD13 LEU 26 HD13 LEU 26 -4.524 1.760 3.058 194 HD21 LEU 26 HD21 LEU 26 -6.608 -0.303 0.688 195 HD22 LEU 26 HD22 LEU 26 -5.616 0.717 -0.344 196 HD23 LEU 26 HD23 LEU 26 -7.316 1.061 -0.167 197 H LYS 27 H LYS 27 -9.253 3.672 4.391 198 HA LYS 27 HA LYS 27 -10.936 1.682 5.545 199 HB2 LYS 27 HB3 LYS 27 -10.017 3.809 6.561 200 HB3 LYS 27 HB2 LYS 27 -11.300 4.703 5.751 201 HG2 LYS 27 HG3 LYS 27 -12.973 3.159 6.950 202 HG3 LYS 27 HG2 LYS 27 -11.609 2.515 7.871 203 HD2 LYS 27 HD3 LYS 27 -12.553 5.424 7.832 204 HD3 LYS 27 HD2 LYS 27 -12.744 4.290 9.165 205 HE2 LYS 27 HE3 LYS 27 -10.120 4.128 9.158 206 HE3 LYS 27 HE2 LYS 27 -10.167 5.607 8.173 207 HZ1 LYS 27 HZ1 LYS 27 -10.026 6.104 10.534 208 HZ2 LYS 27 HZ2 LYS 27 -11.456 5.236 10.833 209 HZ3 LYS 27 HZ3 LYS 27 -11.499 6.651 9.895 210 H GLY 28 H GLY 28 -11.752 4.397 3.361 211 HA2 GLY 28 HA3 GLY 28 -14.556 4.035 3.228 212 HA3 GLY 28 HA2 GLY 28 -13.563 4.848 2.029 213 H LYS 29 H LYS 29 -11.949 2.409 1.504 214 HA LYS 29 HA LYS 29 -13.532 1.312 -0.629 215 HB2 LYS 29 HB3 LYS 29 -10.871 0.301 0.476 216 HB3 LYS 29 HB2 LYS 29 -11.535 0.004 -1.127 217 HG2 LYS 29 HG3 LYS 29 -10.753 2.758 -0.117 218 HG3 LYS 29 HG2 LYS 29 -9.716 1.748 -1.111 219 HD2 LYS 29 HD3 LYS 29 -11.472 1.762 -2.904 220 HD3 LYS 29 HD2 LYS 29 -12.455 2.831 -1.918 221 HE2 LYS 29 HE3 LYS 29 -10.698 4.561 -1.985 222 HE3 LYS 29 HE2 LYS 29 -9.690 3.494 -2.974 223 HZ1 LYS 29 HZ1 LYS 29 -11.186 5.186 -4.156 224 HZ2 LYS 29 HZ2 LYS 29 -12.459 4.128 -3.773 225 HZ3 LYS 29 HZ3 LYS 29 -11.169 3.593 -4.739 226 H GLY 30 H GLY 30 -14.004 0.765 2.441 227 HA2 GLY 30 HA3 GLY 30 -15.189 -0.823 3.612 228 HA3 GLY 30 HA2 GLY 30 -15.475 -1.642 2.080 229 H HIS 31 H HIS 31 -12.142 -1.126 2.723 230 HA HIS 31 HA HIS 31 -11.588 -3.927 2.895 231 HB2 HIS 31 HB3 HIS 31 -9.866 -1.461 3.355 232 HB3 HIS 31 HB2 HIS 31 -9.231 -3.108 3.342 233 HD2 HIS 31 HD2 HIS 31 -7.794 -2.486 0.920 234 HE1 HIS 31 HE1 HIS 31 -11.291 -2.410 -1.440 235 HE2 HIS 31 HE2 HIS 31 -8.740 -2.482 -1.517 236 H THR 32 H THR 32 -10.385 -4.917 4.657 237 HA THR 32 HA THR 32 -11.776 -4.431 7.213 238 HB THR 32 HB THR 32 -10.935 -6.649 7.823 239 HG1 THR 32 HG1 THR 32 -9.071 -7.076 6.991 240 HG21 THR 32 HG21 THR 32 -12.010 -7.989 6.053 241 HG22 THR 32 HG22 THR 32 -11.885 -6.648 4.920 242 HG23 THR 32 HG23 THR 32 -12.955 -6.522 6.319 243 H ASP 33 H ASP 33 -10.582 -4.483 9.228 244 HA ASP 33 HA ASP 33 -8.532 -2.547 9.332 245 HB2 ASP 33 HB3 ASP 33 -8.318 -3.237 11.723 246 HB3 ASP 33 HB2 ASP 33 -10.006 -3.046 11.245 247 H ALA 34 H ALA 34 -8.374 -6.106 9.471 248 HA ALA 34 HA ALA 34 -5.597 -6.368 9.924 249 HB1 ALA 34 HB1 ALA 34 -7.224 -8.247 10.092 250 HB2 ALA 34 HB2 ALA 34 -5.866 -8.668 9.048 251 HB3 ALA 34 HB3 ALA 34 -7.425 -8.232 8.341 252 H GLU 35 H GLU 35 -7.392 -6.301 6.728 253 HA GLU 35 HA GLU 35 -5.050 -6.472 5.168 254 HB2 GLU 35 HB3 GLU 35 -7.837 -5.398 4.624 255 HB3 GLU 35 HB2 GLU 35 -6.646 -5.632 3.346 256 HG2 GLU 35 HG3 GLU 35 -7.667 -7.862 5.180 257 HG3 GLU 35 HG2 GLU 35 -8.274 -7.558 3.554 258 H ILE 36 H ILE 36 -7.002 -3.698 6.151 259 HA ILE 36 HA ILE 36 -5.687 -1.689 4.718 260 HB ILE 36 HB ILE 36 -7.027 -1.558 7.456 261 HG12 ILE 36 HG13 ILE 36 -8.105 -0.561 4.782 262 HG13 ILE 36 HG12 ILE 36 -8.384 -2.179 5.321 263 HG21 ILE 36 HG21 ILE 36 -5.607 0.431 7.338 264 HG22 ILE 36 HG22 ILE 36 -7.238 0.968 6.961 265 HG23 ILE 36 HG23 ILE 36 -6.069 0.729 5.665 266 HD11 ILE 36 HD11 ILE 36 -10.278 -0.717 5.866 267 HD12 ILE 36 HD12 ILE 36 -9.213 0.315 6.822 268 HD13 ILE 36 HD13 ILE 36 -9.526 -1.357 7.327 269 H GLU 37 H GLU 37 -5.014 -2.726 8.103 270 HA GLU 37 HA GLU 37 -2.902 -1.041 8.564 271 HB2 GLU 37 HB3 GLU 37 -2.374 -2.346 10.504 272 HB3 GLU 37 HB2 GLU 37 -4.120 -2.216 10.324 273 HG2 GLU 37 HG3 GLU 37 -4.051 -4.495 9.235 274 HG3 GLU 37 HG2 GLU 37 -2.379 -4.641 9.695 275 H ALA 38 H ALA 38 -2.965 -4.335 7.278 276 HA ALA 38 HA ALA 38 -0.189 -4.851 7.270 277 HB1 ALA 38 HB1 ALA 38 -0.849 -6.691 5.737 278 HB2 ALA 38 HB2 ALA 38 -2.422 -5.923 5.489 279 HB3 ALA 38 HB3 ALA 38 -1.996 -6.555 7.075 280 H ILE 39 H ILE 39 -2.383 -3.638 4.703 281 HA ILE 39 HA ILE 39 -0.478 -3.610 2.594 282 HB ILE 39 HB ILE 39 -3.131 -2.211 3.062 283 HG12 ILE 39 HG13 ILE 39 -3.655 -3.194 0.755 284 HG13 ILE 39 HG12 ILE 39 -2.062 -3.924 0.758 285 HG21 ILE 39 HG21 ILE 39 -2.005 -0.257 2.116 286 HG22 ILE 39 HG22 ILE 39 -2.961 -0.959 0.827 287 HG23 ILE 39 HG23 ILE 39 -1.223 -1.246 0.872 288 HD11 ILE 39 HD11 ILE 39 -2.816 -5.032 3.002 289 HD12 ILE 39 HD12 ILE 39 -3.515 -5.627 1.502 290 HD13 ILE 39 HD13 ILE 39 -4.438 -4.527 2.509 291 H PHE 40 H PHE 40 -1.384 -0.923 4.783 292 HA PHE 40 HA PHE 40 0.446 0.906 3.540 293 HB2 PHE 40 HB3 PHE 40 -0.411 2.497 4.980 294 HB3 PHE 40 HB2 PHE 40 -1.655 1.302 5.246 295 HD1 PHE 40 HD2 PHE 40 1.510 2.744 6.586 296 HD2 PHE 40 HD1 PHE 40 -1.742 0.111 7.366 297 HE1 PHE 40 HE2 PHE 40 2.255 2.555 8.947 298 HE2 PHE 40 HE1 PHE 40 -1.029 -0.133 9.733 299 HZ PHE 40 HZ PHE 40 0.990 1.104 10.524 300 H THR 41 H THR 41 0.623 -1.252 6.312 301 HA THR 41 HA THR 41 3.046 -0.421 7.413 302 HB THR 41 HB THR 41 1.547 -3.051 7.380 303 HG1 THR 41 HG1 THR 41 1.960 -1.793 9.725 304 HG21 THR 41 HG21 THR 41 3.777 -3.803 7.824 305 HG22 THR 41 HG22 THR 41 3.022 -3.602 9.400 306 HG23 THR 41 HG23 THR 41 4.142 -2.383 8.806 307 H LYS 42 H LYS 42 2.407 -2.856 4.872 308 HA LYS 42 HA LYS 42 5.100 -3.689 4.636 309 HB2 LYS 42 HB3 LYS 42 3.082 -4.936 3.809 310 HB3 LYS 42 HB2 LYS 42 2.866 -3.727 2.545 311 HG2 LYS 42 HG3 LYS 42 5.127 -4.266 1.639 312 HG3 LYS 42 HG2 LYS 42 5.352 -5.454 2.927 313 HD2 LYS 42 HD3 LYS 42 3.393 -6.743 2.055 314 HD3 LYS 42 HD2 LYS 42 3.202 -5.555 0.758 315 HE2 LYS 42 HE3 LYS 42 4.480 -7.554 -0.027 316 HE3 LYS 42 HE2 LYS 42 5.485 -6.101 -0.086 317 HZ1 LYS 42 HZ1 LYS 42 6.805 -6.845 1.552 318 HZ2 LYS 42 HZ2 LYS 42 6.213 -8.376 1.115 319 HZ3 LYS 42 HZ3 LYS 42 5.532 -7.543 2.431 320 H TYR 43 H TYR 43 3.129 -1.367 2.706 321 HA TYR 43 HA TYR 43 5.315 -0.554 1.068 322 HB2 TYR 43 HB3 TYR 43 2.580 0.599 1.553 323 HB3 TYR 43 HB2 TYR 43 3.749 1.504 0.617 324 HD1 TYR 43 HD1 TYR 43 2.360 -2.000 0.802 325 HD2 TYR 43 HD2 TYR 43 3.749 1.201 -1.750 326 HE1 TYR 43 HE1 TYR 43 1.782 -3.320 -1.212 327 HE2 TYR 43 HE2 TYR 43 3.161 -0.142 -3.732 328 HH TYR 43 HH TYR 43 2.380 -1.997 -4.470 329 H ASP 44 H ASP 44 4.106 0.653 4.129 330 HA ASP 44 HA ASP 44 6.129 2.834 4.125 331 HB2 ASP 44 HB3 ASP 44 3.864 2.382 6.104 332 HB3 ASP 44 HB2 ASP 44 4.801 3.822 5.812 333 H GLN 45 H GLN 45 8.051 2.030 4.888 334 HA GLN 45 HA GLN 45 8.322 -0.224 6.578 335 HB2 GLN 45 HB3 GLN 45 10.158 2.101 5.866 336 HB3 GLN 45 HB2 GLN 45 10.717 0.799 6.915 337 HG2 GLN 45 HG3 GLN 45 11.372 0.402 4.536 338 HG3 GLN 45 HG2 GLN 45 10.298 -0.860 5.128 339 HE21 GLN 45 HE21 GLN 45 7.981 -0.722 4.424 340 HE22 GLN 45 HE22 GLN 45 7.607 0.050 2.960 341 H ASP 46 H ASP 46 8.638 3.349 7.539 342 HA ASP 46 HA ASP 46 8.296 2.543 10.375 343 HB2 ASP 46 HB3 ASP 46 9.400 5.078 9.083 344 HB3 ASP 46 HB2 ASP 46 9.368 4.727 10.815 345 H GLY 47 H GLY 47 6.504 3.647 7.772 346 HA2 GLY 47 HA3 GLY 47 4.523 4.887 7.556 347 HA3 GLY 47 HA2 GLY 47 4.140 4.240 9.125 348 H ASP 48 H ASP 48 6.938 6.263 8.695 349 HA ASP 48 HA ASP 48 5.612 8.569 10.078 350 HB2 ASP 48 HB3 ASP 48 7.272 7.261 11.440 351 HB3 ASP 48 HB2 ASP 48 8.520 7.664 10.267 352 H GLN 49 H GLN 49 7.489 7.565 7.346 353 HA GLN 49 HA GLN 49 7.976 10.402 6.492 354 HB2 GLN 49 HB3 GLN 49 9.909 9.250 5.109 355 HB3 GLN 49 HB2 GLN 49 10.169 9.539 6.826 356 HG2 GLN 49 HG3 GLN 49 10.903 7.250 6.155 357 HG3 GLN 49 HG2 GLN 49 9.622 7.188 7.358 358 HE21 GLN 49 HE21 GLN 49 8.293 5.430 6.825 359 HE22 GLN 49 HE22 GLN 49 7.761 5.055 5.260 360 H GLU 50 H GLU 50 8.220 10.599 4.081 361 HA GLU 50 HA GLU 50 5.877 9.601 2.787 362 HB2 GLU 50 HB3 GLU 50 8.154 11.351 1.791 363 HB3 GLU 50 HB2 GLU 50 6.638 11.074 0.925 364 HG2 GLU 50 HG3 GLU 50 6.883 12.385 3.680 365 HG3 GLU 50 HG2 GLU 50 6.604 13.245 2.169 366 H LEU 51 H LEU 51 5.800 8.330 0.947 367 HA LEU 51 HA LEU 51 7.945 6.299 0.818 368 HB2 LEU 51 HB3 LEU 51 5.346 6.334 -0.784 369 HB3 LEU 51 HB2 LEU 51 6.340 4.942 -0.331 370 HG LEU 51 HG LEU 51 4.687 6.672 1.563 371 HD11 LEU 51 HD11 LEU 51 4.337 3.809 0.688 372 HD12 LEU 51 HD12 LEU 51 3.330 5.165 0.196 373 HD13 LEU 51 HD13 LEU 51 3.344 4.643 1.869 374 HD21 LEU 51 HD21 LEU 51 6.503 4.312 2.183 375 HD22 LEU 51 HD22 LEU 51 5.316 4.972 3.309 376 HD23 LEU 51 HD23 LEU 51 6.655 5.955 2.805 377 H THR 52 H THR 52 9.532 6.568 -0.526 378 HA THR 52 HA THR 52 9.480 8.356 -2.779 379 HB THR 52 HB THR 52 11.498 8.193 -1.381 380 HG1 THR 52 HG1 THR 52 12.544 6.960 -3.553 381 HG21 THR 52 HG21 THR 52 11.660 5.297 -2.311 382 HG22 THR 52 HG22 THR 52 11.274 5.809 -0.670 383 HG23 THR 52 HG23 THR 52 12.867 6.137 -1.349 384 H GLU 53 H GLU 53 10.765 7.374 -4.635 385 HA GLU 53 HA GLU 53 8.851 5.774 -6.031 386 HB2 GLU 53 HB3 GLU 53 11.657 6.613 -6.871 387 HB3 GLU 53 HB2 GLU 53 10.449 5.898 -7.947 388 HG2 GLU 53 HG3 GLU 53 8.922 7.832 -7.496 389 HG3 GLU 53 HG2 GLU 53 10.148 8.551 -6.452 390 H HIS 54 H HIS 54 12.266 5.166 -5.244 391 HA HIS 54 HA HIS 54 12.441 2.566 -6.192 392 HB2 HIS 54 HB3 HIS 54 13.833 3.603 -3.676 393 HB3 HIS 54 HB2 HIS 54 14.348 2.215 -4.640 394 HD2 HIS 54 HD2 HIS 54 14.831 6.029 -4.584 395 HE1 HIS 54 HE1 HIS 54 16.171 4.719 -8.368 396 HE2 HIS 54 HE2 HIS 54 16.112 6.686 -6.763 397 H GLU 55 H GLU 55 11.630 3.429 -2.756 398 HA GLU 55 HA GLU 55 10.990 0.868 -1.881 399 HB2 GLU 55 HB3 GLU 55 9.824 3.582 -1.125 400 HB3 GLU 55 HB2 GLU 55 9.609 2.123 -0.157 401 HG2 GLU 55 HG3 GLU 55 12.318 3.383 -0.830 402 HG3 GLU 55 HG2 GLU 55 11.469 3.597 0.698 403 H HIS 56 H HIS 56 8.754 3.370 -3.209 404 HA HIS 56 HA HIS 56 6.399 1.824 -3.162 405 HB2 HIS 56 HB3 HIS 56 6.277 4.239 -3.490 406 HB3 HIS 56 HB2 HIS 56 7.254 4.129 -4.947 407 HD2 HIS 56 HD2 HIS 56 3.813 2.347 -3.972 408 HE1 HIS 56 HE1 HIS 56 3.711 3.517 -8.022 409 HE2 HIS 56 HE2 HIS 56 2.440 2.317 -6.182 410 H GLN 57 H GLN 57 8.625 2.375 -5.991 411 HA GLN 57 HA GLN 57 7.245 0.697 -7.777 412 HB2 GLN 57 HB3 GLN 57 10.028 1.841 -7.629 413 HB3 GLN 57 HB2 GLN 57 9.753 0.584 -8.816 414 HG2 GLN 57 HG3 GLN 57 9.404 3.032 -9.613 415 HG3 GLN 57 HG2 GLN 57 8.138 1.887 -10.014 416 HE21 GLN 57 HE21 GLN 57 8.769 3.757 -7.015 417 HE22 GLN 57 HE22 GLN 57 7.232 4.447 -6.938 418 H GLN 58 H GLN 58 9.667 -0.112 -5.320 419 HA GLN 58 HA GLN 58 10.158 -2.779 -6.232 420 HB2 GLN 58 HB3 GLN 58 11.590 -1.455 -4.605 421 HB3 GLN 58 HB2 GLN 58 10.366 -1.727 -3.366 422 HG2 GLN 58 HG3 GLN 58 10.678 -4.221 -3.689 423 HG3 GLN 58 HG2 GLN 58 11.943 -3.884 -4.859 424 HE21 GLN 58 HE21 GLN 58 13.807 -4.567 -3.725 425 HE22 GLN 58 HE22 GLN 58 14.258 -3.970 -2.202 426 H MET 59 H MET 59 8.052 -1.544 -3.511 427 HA MET 59 HA MET 59 6.825 -4.016 -2.932 428 HB2 MET 59 HB3 MET 59 5.705 -1.195 -2.624 429 HB3 MET 59 HB2 MET 59 5.151 -2.626 -1.740 430 HG2 MET 59 HG3 MET 59 7.997 -1.567 -1.606 431 HG3 MET 59 HG2 MET 59 6.787 -1.154 -0.468 432 HE1 MET 59 HE1 MET 59 9.073 -3.798 -1.895 433 HE2 MET 59 HE2 MET 59 9.393 -4.801 -0.479 434 HE3 MET 59 HE3 MET 59 9.786 -3.082 -0.444 435 H ARG 60 H ARG 60 6.058 -1.488 -5.267 436 HA ARG 60 HA ARG 60 3.454 -2.408 -6.010 437 HB2 ARG 60 HB3 ARG 60 4.397 -0.257 -6.753 438 HB3 ARG 60 HB2 ARG 60 5.649 -1.109 -7.654 439 HG2 ARG 60 HG3 ARG 60 3.942 -2.110 -9.148 440 HG3 ARG 60 HG2 ARG 60 2.666 -1.336 -8.217 441 HD2 ARG 60 HD3 ARG 60 3.486 0.860 -8.891 442 HD3 ARG 60 HD2 ARG 60 4.869 0.123 -9.705 443 HE ARG 60 HE ARG 60 2.647 -1.068 -10.820 444 HH11 ARG 60 HH21 ARG 60 3.928 2.155 -10.522 445 HH12 ARG 60 HH22 ARG 60 3.260 2.708 -12.021 446 HH21 ARG 60 HH11 ARG 60 1.779 -0.326 -12.796 447 HH22 ARG 60 HH12 ARG 60 2.056 1.305 -13.306 448 H ASP 61 H ASP 61 6.661 -3.237 -7.523 449 HA ASP 61 HA ASP 61 5.736 -5.106 -9.361 450 HB2 ASP 61 HB3 ASP 61 8.042 -4.164 -9.343 451 HB3 ASP 61 HB2 ASP 61 8.407 -5.070 -7.879 452 H ASP 62 H ASP 62 6.541 -5.495 -5.950 453 HA ASP 62 HA ASP 62 6.413 -8.343 -5.820 454 HB2 ASP 62 HB3 ASP 62 7.483 -6.868 -4.075 455 HB3 ASP 62 HB2 ASP 62 5.884 -6.316 -3.586 456 H LEU 63 H LEU 63 4.095 -5.698 -5.501 457 HA LEU 63 HA LEU 63 1.899 -7.185 -4.531 458 HB2 LEU 63 HB3 LEU 63 2.166 -4.617 -4.738 459 HB3 LEU 63 HB2 LEU 63 1.631 -4.782 -6.389 460 HG LEU 63 HG LEU 63 -0.400 -6.190 -5.220 461 HD11 LEU 63 HD11 LEU 63 0.364 -4.219 -3.031 462 HD12 LEU 63 HD12 LEU 63 0.580 -5.958 -2.914 463 HD13 LEU 63 HD13 LEU 63 -1.034 -5.287 -3.043 464 HD21 LEU 63 HD21 LEU 63 -0.282 -3.152 -5.283 465 HD22 LEU 63 HD22 LEU 63 -1.759 -4.117 -5.179 466 HD23 LEU 63 HD23 LEU 63 -0.754 -4.204 -6.615 467 H GLU 64 H GLU 64 2.787 -6.239 -7.919 468 HA GLU 64 HA GLU 64 0.634 -7.544 -9.200 469 HB2 GLU 64 HB3 GLU 64 3.504 -7.133 -10.145 470 HB3 GLU 64 HB2 GLU 64 2.151 -7.558 -11.201 471 HG2 GLU 64 HG3 GLU 64 0.989 -5.439 -10.569 472 HG3 GLU 64 HG2 GLU 64 2.335 -5.012 -9.510 473 H LYS 65 H LYS 65 3.833 -8.821 -8.276 474 HA LYS 65 HA LYS 65 3.622 -11.425 -9.339 475 HB2 LYS 65 HB3 LYS 65 5.118 -10.300 -6.934 476 HB3 LYS 65 HB2 LYS 65 5.276 -12.003 -7.378 477 HG2 LYS 65 HG3 LYS 65 6.087 -11.342 -9.632 478 HG3 LYS 65 HG2 LYS 65 5.919 -9.639 -9.204 479 HD2 LYS 65 HD3 LYS 65 7.624 -9.868 -7.430 480 HD3 LYS 65 HD2 LYS 65 7.738 -11.608 -7.718 481 HE2 LYS 65 HE3 LYS 65 9.598 -10.339 -8.838 482 HE3 LYS 65 HE2 LYS 65 8.593 -11.217 -9.998 483 HZ1 LYS 65 HZ1 LYS 65 9.171 -8.596 -10.149 484 HZ2 LYS 65 HZ2 LYS 65 7.652 -8.564 -9.388 485 HZ3 LYS 65 HZ3 LYS 65 7.836 -9.339 -10.889 486 H GLU 66 H GLU 66 2.447 -10.162 -6.223 487 HA GLU 66 HA GLU 66 1.758 -12.476 -4.899 488 HB2 GLU 66 HB3 GLU 66 0.714 -11.031 -3.379 489 HB3 GLU 66 HB2 GLU 66 1.339 -9.766 -4.425 490 HG2 GLU 66 HG3 GLU 66 -0.879 -9.827 -5.692 491 HG3 GLU 66 HG2 GLU 66 -1.485 -10.958 -4.492 492 H ARG 67 H ARG 67 0.213 -10.971 -7.548 493 HA ARG 67 HA ARG 67 -2.327 -12.198 -7.598 494 HB2 ARG 67 HB3 ARG 67 -0.623 -11.436 -10.010 495 HB3 ARG 67 HB2 ARG 67 -2.350 -11.766 -10.056 496 HG2 ARG 67 HG3 ARG 67 -2.796 -9.858 -8.537 497 HG3 ARG 67 HG2 ARG 67 -1.072 -9.521 -8.414 498 HD2 ARG 67 HD3 ARG 67 -0.977 -9.075 -10.863 499 HD3 ARG 67 HD2 ARG 67 -2.709 -9.406 -10.988 500 HE ARG 67 HE ARG 67 -2.383 -7.408 -9.040 501 HH11 ARG 67 HH21 ARG 67 -1.841 -7.856 -12.448 502 HH12 ARG 67 HH22 ARG 67 -2.104 -6.191 -12.846 503 HH21 ARG 67 HH11 ARG 67 -2.730 -5.225 -9.573 504 HH22 ARG 67 HH12 ARG 67 -2.607 -4.705 -11.220 505 H GLU 68 H GLU 68 0.728 -13.310 -9.107 506 HA GLU 68 HA GLU 68 -0.337 -15.751 -10.150 507 HB2 GLU 68 HB3 GLU 68 1.798 -14.641 -10.923 508 HB3 GLU 68 HB2 GLU 68 2.565 -15.111 -9.408 509 HG2 GLU 68 HG3 GLU 68 2.136 -17.522 -9.949 510 HG3 GLU 68 HG2 GLU 68 1.372 -17.042 -11.459 511 H ASP 69 H ASP 69 1.441 -14.938 -7.148 512 HA ASP 69 HA ASP 69 1.567 -17.562 -6.060 513 HB2 ASP 69 HB3 ASP 69 1.543 -14.897 -4.580 514 HB3 ASP 69 HB2 ASP 69 2.122 -16.428 -3.933 515 H LEU 70 H LEU 70 -1.041 -15.408 -6.459 516 HA LEU 70 HA LEU 70 -2.635 -15.973 -4.186 517 HB2 LEU 70 HB3 LEU 70 -2.944 -14.118 -6.045 518 HB3 LEU 70 HB2 LEU 70 -3.804 -15.360 -6.937 519 HG LEU 70 HG LEU 70 -5.199 -15.637 -4.630 520 HD11 LEU 70 HD11 LEU 70 -4.281 -12.732 -4.433 521 HD12 LEU 70 HD12 LEU 70 -3.781 -14.018 -3.342 522 HD13 LEU 70 HD13 LEU 70 -5.467 -13.526 -3.396 523 HD21 LEU 70 HD21 LEU 70 -6.866 -13.959 -5.436 524 HD22 LEU 70 HD22 LEU 70 -6.247 -14.948 -6.754 525 HD23 LEU 70 HD23 LEU 70 -5.653 -13.300 -6.541 526 H ASP 71 H ASP 71 -2.185 -17.652 -7.232 527 HA ASP 71 HA ASP 71 -4.400 -19.501 -6.959 528 HB2 ASP 71 HB3 ASP 71 -1.862 -19.599 -8.648 529 HB3 ASP 71 HB2 ASP 71 -3.239 -20.684 -8.842 530 H LEU 72 H LEU 72 -0.902 -19.627 -6.335 531 HA LEU 72 HA LEU 72 -0.755 -22.330 -5.439 532 HB2 LEU 72 HB3 LEU 72 1.043 -19.991 -4.645 533 HB3 LEU 72 HB2 LEU 72 1.461 -21.708 -4.576 534 HG LEU 72 HG LEU 72 0.889 -20.108 -7.126 535 HD11 LEU 72 HD11 LEU 72 3.508 -21.253 -6.048 536 HD12 LEU 72 HD12 LEU 72 3.075 -19.545 -6.073 537 HD13 LEU 72 HD13 LEU 72 3.312 -20.411 -7.587 538 HD21 LEU 72 HD21 LEU 72 1.876 -22.272 -8.226 539 HD22 LEU 72 HD22 LEU 72 0.223 -22.340 -7.650 540 HD23 LEU 72 HD23 LEU 72 1.514 -23.068 -6.690 541 H ASP 73 H ASP 73 -1.297 -19.257 -3.715 542 HA ASP 73 HA ASP 73 -1.236 -20.317 -1.068 543 HB2 ASP 73 HB3 ASP 73 -1.079 -17.879 -1.597 544 HB3 ASP 73 HB2 ASP 73 -2.755 -17.884 -2.132 545 H HIS 74 H HIS 74 -2.417 -22.277 -1.164 546 HA HIS 74 HA HIS 74 -5.114 -22.514 -2.052 547 HB2 HIS 74 HB3 HIS 74 -3.572 -24.468 -1.747 548 HB3 HIS 74 HB2 HIS 74 -3.609 -24.226 -0.003 549 HD2 HIS 74 HD2 HIS 74 -6.246 -25.120 -2.858 550 HE1 HIS 74 HE1 HIS 74 -7.737 -26.483 0.848 551 HE2 HIS 74 HE2 HIS 74 -8.183 -26.388 -1.650 552 H SER 75 H SER 75 -3.620 -21.877 1.107 553 HA SER 75 HA SER 75 -4.465 -21.182 3.125 554 HB2 SER 75 HB3 SER 75 -4.908 -19.121 1.848 555 HB3 SER 75 HB2 SER 75 -6.443 -19.776 1.285 556 HG SER 75 HG SER 75 -7.268 -19.591 3.289 557 H SER 76 H SER 76 -5.069 -23.313 3.770 558 HA SER 76 HA SER 76 -7.497 -24.608 3.172 559 HB2 SER 76 HB3 SER 76 -7.052 -25.981 5.185 560 HB3 SER 76 HB2 SER 76 -5.559 -25.728 4.284 561 HG SER 76 HG SER 76 -6.329 -24.813 6.769 562 H LEU 77 H LEU 77 -6.692 -22.121 5.545 563 HA LEU 77 HA LEU 77 -8.976 -22.349 7.163 564 HB2 LEU 77 HB3 LEU 77 -6.906 -20.196 6.673 565 HB3 LEU 77 HB2 LEU 77 -8.331 -19.758 7.611 566 HG LEU 77 HG LEU 77 -7.837 -21.605 9.222 567 HD11 LEU 77 HD11 LEU 77 -5.526 -22.711 9.058 568 HD12 LEU 77 HD12 LEU 77 -5.455 -22.119 7.396 569 HD13 LEU 77 HD13 LEU 77 -6.728 -23.240 7.886 570 HD21 LEU 77 HD21 LEU 77 -5.841 -20.581 10.275 571 HD22 LEU 77 HD22 LEU 77 -6.922 -19.336 9.657 572 HD23 LEU 77 HD23 LEU 77 -5.458 -19.750 8.764 573 HA PRO 78 HA PRO 78 -12.473 -20.607 4.881 574 HB2 PRO 78 HB3 PRO 78 -12.562 -18.506 7.099 575 HB3 PRO 78 HB2 PRO 78 -13.921 -19.389 6.359 576 HG2 PRO 78 HG3 PRO 78 -12.966 -20.174 8.726 577 HG3 PRO 78 HG2 PRO 78 -13.407 -21.387 7.501 578 HD2 PRO 78 HD2 PRO 78 -10.632 -20.524 8.361 579 HD3 PRO 78 HD3 PRO 78 -11.201 -22.099 7.757 Start of MODEL 9 1 H1 ASN 1 1H ASN 1 -12.798 -5.524 -6.169 2 H2 ASN 1 2H ASN 1 -12.532 -6.118 -4.597 3 H3 ASN 1 3H ASN 1 -14.108 -5.743 -5.109 4 HA ASN 1 HA ASN 1 -12.827 -8.193 -5.233 5 HB2 ASN 1 HB3 ASN 1 -14.989 -8.904 -6.246 6 HB3 ASN 1 HB2 ASN 1 -15.264 -7.781 -4.917 7 HD21 ASN 1 HD21 ASN 1 -16.934 -8.363 -7.434 8 HD22 ASN 1 HD22 ASN 1 -17.173 -6.834 -8.133 9 H THR 2 H THR 2 -13.789 -9.278 -7.728 10 HA THR 2 HA THR 2 -11.550 -8.883 -9.446 11 HB THR 2 HB THR 2 -14.274 -10.066 -10.171 12 HG1 THR 2 HG1 THR 2 -12.446 -11.889 -9.561 13 HG21 THR 2 HG21 THR 2 -12.958 -11.461 -11.749 14 HG22 THR 2 HG22 THR 2 -11.483 -10.627 -11.267 15 HG23 THR 2 HG23 THR 2 -12.749 -9.749 -12.122 16 H VAL 3 H VAL 3 -14.921 -7.699 -9.601 17 HA VAL 3 HA VAL 3 -14.723 -6.299 -12.089 18 HB VAL 3 HB VAL 3 -16.631 -5.788 -9.748 19 HG11 VAL 3 HG11 VAL 3 -16.837 -5.042 -12.706 20 HG12 VAL 3 HG12 VAL 3 -16.698 -3.912 -11.360 21 HG13 VAL 3 HG13 VAL 3 -18.157 -4.879 -11.547 22 HG21 VAL 3 HG21 VAL 3 -16.729 -8.149 -10.512 23 HG22 VAL 3 HG22 VAL 3 -16.926 -7.615 -12.182 24 HG23 VAL 3 HG23 VAL 3 -18.194 -7.294 -10.997 25 H ASP 4 H ASP 4 -14.613 -5.108 -8.699 26 HA ASP 4 HA ASP 4 -13.713 -2.433 -9.517 27 HB2 ASP 4 HB3 ASP 4 -14.053 -3.651 -6.732 28 HB3 ASP 4 HB2 ASP 4 -13.821 -1.942 -7.096 29 H ASP 5 H ASP 5 -11.612 -2.261 -10.132 30 HA ASP 5 HA ASP 5 -9.489 -4.019 -9.312 31 HB2 ASP 5 HB3 ASP 5 -9.407 -1.293 -10.690 32 HB3 ASP 5 HB2 ASP 5 -8.062 -2.427 -10.597 33 H ILE 6 H ILE 6 -9.510 -3.936 -6.992 34 HA ILE 6 HA ILE 6 -9.229 -1.485 -5.495 35 HB ILE 6 HB ILE 6 -8.762 -3.066 -3.575 36 HG12 ILE 6 HG13 ILE 6 -9.148 -5.301 -5.649 37 HG13 ILE 6 HG12 ILE 6 -7.572 -4.831 -5.035 38 HG21 ILE 6 HG21 ILE 6 -11.030 -4.158 -3.606 39 HG22 ILE 6 HG22 ILE 6 -11.157 -3.815 -5.323 40 HG23 ILE 6 HG23 ILE 6 -11.114 -2.489 -4.169 41 HD11 ILE 6 HD11 ILE 6 -8.271 -5.393 -2.736 42 HD12 ILE 6 HD12 ILE 6 -8.401 -6.774 -3.822 43 HD13 ILE 6 HD13 ILE 6 -9.852 -5.901 -3.338 44 H SER 7 H SER 7 -7.099 -3.525 -7.245 45 HA SER 7 HA SER 7 -4.641 -3.174 -5.911 46 HB2 SER 7 HB3 SER 7 -4.911 -4.824 -7.700 47 HB3 SER 7 HB2 SER 7 -5.224 -3.551 -8.875 48 HG SER 7 HG SER 7 -3.141 -2.910 -8.735 49 H GLU 8 H GLU 8 -6.583 -0.883 -7.523 50 HA GLU 8 HA GLU 8 -4.565 0.904 -8.536 51 HB2 GLU 8 HB3 GLU 8 -7.470 1.329 -7.715 52 HB3 GLU 8 HB2 GLU 8 -6.496 2.540 -8.553 53 HG2 GLU 8 HG3 GLU 8 -6.196 0.983 -10.473 54 HG3 GLU 8 HG2 GLU 8 -7.146 -0.244 -9.647 55 H SER 9 H SER 9 -6.262 0.565 -5.409 56 HA SER 9 HA SER 9 -5.390 2.993 -4.207 57 HB2 SER 9 HB3 SER 9 -6.039 1.903 -2.065 58 HB3 SER 9 HB2 SER 9 -7.254 1.625 -3.313 59 HG SER 9 HG SER 9 -6.802 -0.431 -3.282 60 H LEU 10 H LEU 10 -4.040 -0.337 -3.891 61 HA LEU 10 HA LEU 10 -1.813 0.319 -2.256 62 HB2 LEU 10 HB3 LEU 10 -2.464 -1.998 -4.115 63 HB3 LEU 10 HB2 LEU 10 -0.880 -1.923 -3.342 64 HG LEU 10 HG LEU 10 -1.981 -1.907 -1.097 65 HD11 LEU 10 HD11 LEU 10 -4.556 -2.081 -2.711 66 HD12 LEU 10 HD12 LEU 10 -4.071 -0.846 -1.559 67 HD13 LEU 10 HD13 LEU 10 -4.461 -2.452 -0.983 68 HD21 LEU 10 HD21 LEU 10 -2.764 -4.255 -1.108 69 HD22 LEU 10 HD22 LEU 10 -1.367 -4.091 -2.153 70 HD23 LEU 10 HD23 LEU 10 -2.982 -4.194 -2.850 71 H ARG 11 H ARG 11 -2.192 0.154 -5.824 72 HA ARG 11 HA ARG 11 0.503 0.572 -6.549 73 HB2 ARG 11 HB3 ARG 11 -1.292 -0.109 -8.152 74 HB3 ARG 11 HB2 ARG 11 -1.983 1.511 -8.052 75 HG2 ARG 11 HG3 ARG 11 0.149 2.478 -8.954 76 HG3 ARG 11 HG2 ARG 11 0.845 0.859 -9.034 77 HD2 ARG 11 HD3 ARG 11 -1.630 1.774 -10.560 78 HD3 ARG 11 HD2 ARG 11 -0.009 1.613 -11.252 79 HE ARG 11 HE ARG 11 -0.688 -0.834 -10.016 80 HH11 ARG 11 HH21 ARG 11 -1.637 1.134 -12.725 81 HH12 ARG 11 HH22 ARG 11 -2.173 -0.209 -13.677 82 HH21 ARG 11 HH11 ARG 11 -1.391 -2.574 -11.259 83 HH22 ARG 11 HH12 ARG 11 -2.033 -2.310 -12.844 84 H GLN 12 H GLN 12 -2.158 2.916 -6.197 85 HA GLN 12 HA GLN 12 -2.215 5.173 -5.891 86 HB2 GLN 12 HB3 GLN 12 -1.155 4.318 -3.734 87 HB3 GLN 12 HB2 GLN 12 0.415 4.749 -4.400 88 HG2 GLN 12 HG3 GLN 12 -0.247 6.624 -3.040 89 HG3 GLN 12 HG2 GLN 12 -0.517 7.159 -4.687 90 HE21 GLN 12 HE21 GLN 12 -2.449 8.409 -4.674 91 HE22 GLN 12 HE22 GLN 12 -3.873 7.963 -3.863 92 H GLY 13 H GLY 13 1.353 4.988 -5.995 93 HA2 GLY 13 HA3 GLY 13 2.925 5.826 -7.444 94 HA3 GLY 13 HA2 GLY 13 1.711 5.746 -8.717 95 H GLY 14 H GLY 14 0.838 7.475 -5.946 96 HA2 GLY 14 HA3 GLY 14 0.736 10.058 -7.321 97 HA3 GLY 14 HA2 GLY 14 0.082 9.655 -5.734 98 H GLY 15 H GLY 15 3.002 8.390 -5.411 99 HA2 GLY 15 HA3 GLY 15 5.097 9.064 -4.704 100 HA3 GLY 15 HA2 GLY 15 4.699 10.740 -5.063 101 H LYS 16 H LYS 16 2.894 11.621 -3.580 102 HA LYS 16 HA LYS 16 3.809 11.512 -0.840 103 HB2 LYS 16 HB3 LYS 16 1.339 12.837 -2.085 104 HB3 LYS 16 HB2 LYS 16 1.906 13.083 -0.429 105 HG2 LYS 16 HG3 LYS 16 4.049 14.012 -1.280 106 HG3 LYS 16 HG2 LYS 16 3.521 13.717 -2.940 107 HD2 LYS 16 HD3 LYS 16 3.194 16.093 -2.381 108 HD3 LYS 16 HD2 LYS 16 1.623 15.328 -2.612 109 HE2 LYS 16 HE3 LYS 16 1.201 15.334 -0.213 110 HE3 LYS 16 HE2 LYS 16 2.888 15.737 0.140 111 HZ1 LYS 16 HZ1 LYS 16 0.859 17.447 -1.203 112 HZ2 LYS 16 HZ2 LYS 16 2.511 17.833 -1.133 113 HZ3 LYS 16 HZ3 LYS 16 1.602 17.721 0.297 114 H LEU 17 H LEU 17 3.374 9.663 0.310 115 HA LEU 17 HA LEU 17 0.557 8.872 0.638 116 HB2 LEU 17 HB3 LEU 17 1.581 7.489 -1.288 117 HB3 LEU 17 HB2 LEU 17 2.692 6.815 -0.104 118 HG LEU 17 HG LEU 17 0.653 6.072 1.217 119 HD11 LEU 17 HD11 LEU 17 -1.336 6.949 0.703 120 HD12 LEU 17 HD12 LEU 17 -1.407 5.850 -0.664 121 HD13 LEU 17 HD13 LEU 17 -0.827 7.503 -0.881 122 HD21 LEU 17 HD21 LEU 17 0.203 4.071 -0.182 123 HD22 LEU 17 HD22 LEU 17 1.920 4.455 -0.101 124 HD23 LEU 17 HD23 LEU 17 0.992 4.876 -1.541 125 H ASN 18 H ASN 18 0.181 8.429 2.699 126 HA ASN 18 HA ASN 18 2.182 7.376 4.537 127 HB2 ASN 18 HB3 ASN 18 2.349 9.246 6.014 128 HB3 ASN 18 HB2 ASN 18 2.288 10.071 4.463 129 HD21 ASN 18 HD21 ASN 18 1.354 11.134 7.155 130 HD22 ASN 18 HD22 ASN 18 -0.291 11.493 6.944 131 H PHE 19 H PHE 19 1.192 6.866 6.506 132 HA PHE 19 HA PHE 19 -0.826 5.204 6.668 133 HB2 PHE 19 HB3 PHE 19 -1.222 5.875 9.075 134 HB3 PHE 19 HB2 PHE 19 0.478 5.682 8.649 135 HD1 PHE 19 HD1 PHE 19 1.912 7.676 8.153 136 HD2 PHE 19 HD2 PHE 19 -2.099 8.148 9.669 137 HE1 PHE 19 HE1 PHE 19 2.417 10.018 8.740 138 HE2 PHE 19 HE2 PHE 19 -1.591 10.511 10.236 139 HZ PHE 19 HZ PHE 19 0.665 11.446 9.768 140 H ASP 20 H ASP 20 -1.457 8.732 6.898 141 HA ASP 20 HA ASP 20 -4.293 8.446 7.250 142 HB2 ASP 20 HB3 ASP 20 -2.998 10.387 8.067 143 HB3 ASP 20 HB2 ASP 20 -2.595 10.829 6.413 144 H GLU 21 H GLU 21 -2.260 9.346 4.521 145 HA GLU 21 HA GLU 21 -4.301 9.837 2.650 146 HB2 GLU 21 HB3 GLU 21 -1.476 8.888 2.102 147 HB3 GLU 21 HB2 GLU 21 -2.553 9.549 0.864 148 HG2 GLU 21 HG3 GLU 21 -2.641 11.694 2.148 149 HG3 GLU 21 HG2 GLU 21 -1.527 11.019 3.329 150 H LEU 22 H LEU 22 -2.515 6.869 3.209 151 HA LEU 22 HA LEU 22 -3.970 5.352 1.150 152 HB2 LEU 22 HB3 LEU 22 -2.705 3.387 2.033 153 HB3 LEU 22 HB2 LEU 22 -1.665 4.707 1.567 154 HG LEU 22 HG LEU 22 -2.110 5.280 4.316 155 HD11 LEU 22 HD11 LEU 22 -3.219 3.018 4.511 156 HD12 LEU 22 HD12 LEU 22 -1.835 3.235 5.535 157 HD13 LEU 22 HD13 LEU 22 -1.706 2.290 4.040 158 HD21 LEU 22 HD21 LEU 22 0.227 4.512 4.657 159 HD22 LEU 22 HD22 LEU 22 0.084 5.400 3.188 160 HD23 LEU 22 HD23 LEU 22 0.189 3.657 3.120 161 H ARG 23 H ARG 23 -3.916 5.363 4.715 162 HA ARG 23 HA ARG 23 -5.722 3.208 5.091 163 HB2 ARG 23 HB3 ARG 23 -4.205 4.149 6.838 164 HB3 ARG 23 HB2 ARG 23 -5.296 5.530 6.997 165 HG2 ARG 23 HG3 ARG 23 -7.014 3.303 7.369 166 HG3 ARG 23 HG2 ARG 23 -5.521 2.801 8.160 167 HD2 ARG 23 HD3 ARG 23 -5.528 4.919 9.480 168 HD3 ARG 23 HD2 ARG 23 -7.076 5.341 8.735 169 HE ARG 23 HE ARG 23 -7.326 2.762 9.815 170 HH11 ARG 23 HH21 ARG 23 -6.809 6.017 10.906 171 HH12 ARG 23 HH22 ARG 23 -7.595 5.771 12.429 172 HH21 ARG 23 HH11 ARG 23 -8.345 2.435 11.784 173 HH22 ARG 23 HH12 ARG 23 -8.471 3.729 12.931 174 H GLN 24 H GLN 24 -6.414 6.694 5.291 175 HA GLN 24 HA GLN 24 -9.168 6.534 5.746 176 HB2 GLN 24 HB3 GLN 24 -7.592 8.663 4.263 177 HB3 GLN 24 HB2 GLN 24 -9.254 8.859 4.838 178 HG2 GLN 24 HG3 GLN 24 -8.495 8.391 7.169 179 HG3 GLN 24 HG2 GLN 24 -6.837 8.257 6.597 180 HE21 GLN 24 HE21 GLN 24 -8.419 10.351 8.333 181 HE22 GLN 24 HE22 GLN 24 -8.010 11.824 7.625 182 H ASP 25 H ASP 25 -7.367 6.243 2.685 183 HA ASP 25 HA ASP 25 -9.646 6.554 0.979 184 HB2 ASP 25 HB3 ASP 25 -7.287 7.047 0.278 185 HB3 ASP 25 HB2 ASP 25 -6.873 5.354 0.515 186 H LEU 26 H LEU 26 -7.592 3.936 2.275 187 HA LEU 26 HA LEU 26 -8.885 1.759 0.941 188 HB2 LEU 26 HB3 LEU 26 -7.270 1.732 3.499 189 HB3 LEU 26 HB2 LEU 26 -7.814 0.274 2.680 190 HG LEU 26 HG LEU 26 -6.146 2.294 1.122 191 HD11 LEU 26 HD11 LEU 26 -4.833 1.788 3.165 192 HD12 LEU 26 HD12 LEU 26 -4.093 1.044 1.757 193 HD13 LEU 26 HD13 LEU 26 -5.033 0.063 2.884 194 HD21 LEU 26 HD21 LEU 26 -7.261 0.419 -0.110 195 HD22 LEU 26 HD22 LEU 26 -6.395 -0.733 0.895 196 HD23 LEU 26 HD23 LEU 26 -5.519 0.344 -0.178 197 H LYS 27 H LYS 27 -9.698 3.382 3.910 198 HA LYS 27 HA LYS 27 -11.408 1.459 5.091 199 HB2 LYS 27 HB3 LYS 27 -10.596 3.735 5.965 200 HB3 LYS 27 HB2 LYS 27 -11.877 4.481 5.009 201 HG2 LYS 27 HG3 LYS 27 -13.538 2.961 6.236 202 HG3 LYS 27 HG2 LYS 27 -12.207 2.480 7.300 203 HD2 LYS 27 HD3 LYS 27 -13.321 5.309 6.943 204 HD3 LYS 27 HD2 LYS 27 -13.511 4.285 8.363 205 HE2 LYS 27 HE3 LYS 27 -10.902 4.328 8.528 206 HE3 LYS 27 HE2 LYS 27 -10.977 5.688 7.392 207 HZ1 LYS 27 HZ1 LYS 27 -11.364 6.928 9.192 208 HZ2 LYS 27 HZ2 LYS 27 -11.674 5.584 10.183 209 HZ3 LYS 27 HZ3 LYS 27 -12.915 6.248 9.230 210 H GLY 28 H GLY 28 -12.050 3.946 2.619 211 HA2 GLY 28 HA3 GLY 28 -14.816 3.518 2.198 212 HA3 GLY 28 HA2 GLY 28 -13.688 4.216 1.043 213 H LYS 29 H LYS 29 -11.957 1.921 0.798 214 HA LYS 29 HA LYS 29 -13.310 0.454 -1.255 215 HB2 LYS 29 HB3 LYS 29 -10.645 -0.160 0.111 216 HB3 LYS 29 HB2 LYS 29 -11.160 -0.699 -1.477 217 HG2 LYS 29 HG3 LYS 29 -10.678 2.218 -0.752 218 HG3 LYS 29 HG2 LYS 29 -9.498 1.195 -1.569 219 HD2 LYS 29 HD3 LYS 29 -11.105 0.861 -3.451 220 HD3 LYS 29 HD2 LYS 29 -12.259 1.912 -2.653 221 HE2 LYS 29 HE3 LYS 29 -10.694 3.810 -2.812 222 HE3 LYS 29 HE2 LYS 29 -9.507 2.765 -3.605 223 HZ1 LYS 29 HZ1 LYS 29 -11.055 2.355 -5.385 224 HZ2 LYS 29 HZ2 LYS 29 -10.876 4.034 -5.197 225 HZ3 LYS 29 HZ3 LYS 29 -12.266 3.251 -4.607 226 H GLY 30 H GLY 30 -13.633 0.193 1.947 227 HA2 GLY 30 HA3 GLY 30 -14.686 -1.331 3.324 228 HA3 GLY 30 HA2 GLY 30 -15.008 -2.314 1.903 229 H HIS 31 H HIS 31 -11.630 -1.459 2.578 230 HA HIS 31 HA HIS 31 -10.883 -4.206 2.829 231 HB2 HIS 31 HB3 HIS 31 -9.419 -1.560 3.205 232 HB3 HIS 31 HB2 HIS 31 -8.623 -3.115 3.438 233 HD2 HIS 31 HD2 HIS 31 -7.081 -3.114 1.082 234 HE1 HIS 31 HE1 HIS 31 -10.380 -2.963 -1.537 235 HE2 HIS 31 HE2 HIS 31 -7.851 -3.262 -1.415 236 H THR 32 H THR 32 -9.624 -5.022 4.653 237 HA THR 32 HA THR 32 -11.146 -4.551 7.177 238 HB THR 32 HB THR 32 -10.319 -6.745 7.851 239 HG1 THR 32 HG1 THR 32 -8.903 -6.711 5.401 240 HG21 THR 32 HG21 THR 32 -11.154 -6.842 4.915 241 HG22 THR 32 HG22 THR 32 -12.282 -6.671 6.262 242 HG23 THR 32 HG23 THR 32 -11.321 -8.139 6.092 243 H ASP 33 H ASP 33 -9.961 -4.555 9.221 244 HA ASP 33 HA ASP 33 -7.913 -2.604 9.250 245 HB2 ASP 33 HB3 ASP 33 -9.437 -3.055 11.164 246 HB3 ASP 33 HB2 ASP 33 -8.677 -4.625 11.403 247 H ALA 34 H ALA 34 -7.787 -6.168 9.417 248 HA ALA 34 HA ALA 34 -5.037 -6.445 9.993 249 HB1 ALA 34 HB1 ALA 34 -5.261 -8.724 9.045 250 HB2 ALA 34 HB2 ALA 34 -6.800 -8.272 8.308 251 HB3 ALA 34 HB3 ALA 34 -6.649 -8.332 10.061 252 H GLU 35 H GLU 35 -6.699 -6.354 6.710 253 HA GLU 35 HA GLU 35 -4.314 -6.506 5.232 254 HB2 GLU 35 HB3 GLU 35 -7.036 -5.313 4.571 255 HB3 GLU 35 HB2 GLU 35 -5.779 -5.597 3.362 256 HG2 GLU 35 HG3 GLU 35 -5.819 -8.027 3.878 257 HG3 GLU 35 HG2 GLU 35 -7.046 -7.761 5.106 258 H ILE 36 H ILE 36 -6.224 -3.712 6.256 259 HA ILE 36 HA ILE 36 -4.810 -1.700 4.904 260 HB ILE 36 HB ILE 36 -6.357 -1.548 7.523 261 HG12 ILE 36 HG13 ILE 36 -7.207 -0.622 4.748 262 HG13 ILE 36 HG12 ILE 36 -7.539 -2.220 5.324 263 HG21 ILE 36 HG21 ILE 36 -5.246 0.736 5.804 264 HG22 ILE 36 HG22 ILE 36 -4.959 0.458 7.523 265 HG23 ILE 36 HG23 ILE 36 -6.546 0.956 6.967 266 HD11 ILE 36 HD11 ILE 36 -8.885 -1.368 7.149 267 HD12 ILE 36 HD12 ILE 36 -9.463 -0.692 5.623 268 HD13 ILE 36 HD13 ILE 36 -8.488 0.302 6.707 269 H GLU 37 H GLU 37 -4.434 -2.781 8.319 270 HA GLU 37 HA GLU 37 -2.346 -1.129 9.009 271 HB2 GLU 37 HB3 GLU 37 -2.085 -2.385 11.007 272 HB3 GLU 37 HB2 GLU 37 -3.795 -2.377 10.596 273 HG2 GLU 37 HG3 GLU 37 -3.425 -4.671 9.568 274 HG3 GLU 37 HG2 GLU 37 -1.828 -4.682 10.268 275 H ALA 38 H ALA 38 -2.307 -4.416 7.745 276 HA ALA 38 HA ALA 38 0.465 -4.928 7.959 277 HB1 ALA 38 HB1 ALA 38 -1.300 -6.656 7.665 278 HB2 ALA 38 HB2 ALA 38 -0.089 -6.778 6.390 279 HB3 ALA 38 HB3 ALA 38 -1.651 -6.022 6.060 280 H ILE 39 H ILE 39 -1.556 -3.741 5.237 281 HA ILE 39 HA ILE 39 0.419 -3.735 3.215 282 HB ILE 39 HB ILE 39 -2.294 -2.482 3.564 283 HG12 ILE 39 HG13 ILE 39 -2.583 -3.208 1.121 284 HG13 ILE 39 HG12 ILE 39 -0.923 -3.809 1.176 285 HG21 ILE 39 HG21 ILE 39 -0.439 -1.065 1.609 286 HG22 ILE 39 HG22 ILE 39 -1.309 -0.332 2.948 287 HG23 ILE 39 HG23 ILE 39 -2.195 -0.951 1.553 288 HD11 ILE 39 HD11 ILE 39 -2.166 -5.727 1.678 289 HD12 ILE 39 HD12 ILE 39 -3.373 -4.833 2.588 290 HD13 ILE 39 HD13 ILE 39 -1.786 -5.159 3.309 291 H PHE 40 H PHE 40 -0.522 -1.021 5.320 292 HA PHE 40 HA PHE 40 1.374 0.814 4.180 293 HB2 PHE 40 HB3 PHE 40 0.381 2.362 5.541 294 HB3 PHE 40 HB2 PHE 40 -0.816 1.104 5.755 295 HD1 PHE 40 HD1 PHE 40 2.054 2.848 7.370 296 HD2 PHE 40 HD2 PHE 40 -0.986 -0.117 7.805 297 HE1 PHE 40 HE1 PHE 40 2.530 2.678 9.788 298 HE2 PHE 40 HE2 PHE 40 -0.505 -0.315 10.227 299 HZ PHE 40 HZ PHE 40 1.296 1.089 11.226 300 H THR 41 H THR 41 1.398 -1.328 6.959 301 HA THR 41 HA THR 41 3.702 -0.410 8.239 302 HB THR 41 HB THR 41 2.251 -3.077 8.111 303 HG1 THR 41 HG1 THR 41 1.618 -2.354 10.179 304 HG21 THR 41 HG21 THR 41 4.671 -2.321 9.787 305 HG22 THR 41 HG22 THR 41 4.437 -3.768 8.808 306 HG23 THR 41 HG23 THR 41 3.512 -3.546 10.292 307 H LYS 42 H LYS 42 3.348 -2.924 5.759 308 HA LYS 42 HA LYS 42 6.113 -3.670 5.703 309 HB2 LYS 42 HB3 LYS 42 3.765 -3.981 3.788 310 HB3 LYS 42 HB2 LYS 42 5.346 -4.707 3.453 311 HG2 LYS 42 HG3 LYS 42 5.206 -5.983 5.592 312 HG3 LYS 42 HG2 LYS 42 3.636 -5.266 5.930 313 HD2 LYS 42 HD3 LYS 42 2.690 -6.319 3.884 314 HD3 LYS 42 HD2 LYS 42 4.272 -7.002 3.495 315 HE2 LYS 42 HE3 LYS 42 2.814 -8.692 4.614 316 HE3 LYS 42 HE2 LYS 42 4.232 -8.325 5.600 317 HZ1 LYS 42 HZ1 LYS 42 1.990 -6.587 6.097 318 HZ2 LYS 42 HZ2 LYS 42 2.980 -7.431 7.192 319 HZ3 LYS 42 HZ3 LYS 42 1.671 -8.216 6.447 320 H TYR 43 H TYR 43 4.153 -1.611 3.459 321 HA TYR 43 HA TYR 43 6.481 -0.859 1.917 322 HB2 TYR 43 HB3 TYR 43 3.794 0.561 2.036 323 HB3 TYR 43 HB2 TYR 43 4.935 0.579 0.696 324 HD1 TYR 43 HD1 TYR 43 5.611 -2.523 0.688 325 HD2 TYR 43 HD2 TYR 43 1.849 -0.383 0.873 326 HE1 TYR 43 HE1 TYR 43 4.446 -4.457 -0.296 327 HE2 TYR 43 HE2 TYR 43 0.719 -2.361 -0.115 328 HH TYR 43 HH TYR 43 1.423 -4.355 -1.616 329 H ASP 44 H ASP 44 4.844 0.675 4.660 330 HA ASP 44 HA ASP 44 6.789 2.939 4.595 331 HB2 ASP 44 HB3 ASP 44 4.412 2.755 6.496 332 HB3 ASP 44 HB2 ASP 44 5.208 4.176 5.813 333 H GLN 45 H GLN 45 8.614 2.357 5.662 334 HA GLN 45 HA GLN 45 8.857 0.199 7.458 335 HB2 GLN 45 HB3 GLN 45 10.598 2.598 6.773 336 HB3 GLN 45 HB2 GLN 45 11.136 1.450 7.995 337 HG2 GLN 45 HG3 GLN 45 12.064 0.934 5.708 338 HG3 GLN 45 HG2 GLN 45 11.096 -0.390 6.353 339 HE21 GLN 45 HE21 GLN 45 8.786 -0.507 5.522 340 HE22 GLN 45 HE22 GLN 45 8.480 0.024 3.939 341 H ASP 46 H ASP 46 8.793 3.808 8.282 342 HA ASP 46 HA ASP 46 8.242 3.093 11.103 343 HB2 ASP 46 HB3 ASP 46 10.251 4.497 10.535 344 HB3 ASP 46 HB2 ASP 46 9.184 5.708 9.835 345 H GLY 47 H GLY 47 6.571 3.893 8.281 346 HA2 GLY 47 HA3 GLY 47 4.491 4.817 7.865 347 HA3 GLY 47 HA2 GLY 47 4.116 4.349 9.492 348 H ASP 48 H ASP 48 6.696 6.588 9.019 349 HA ASP 48 HA ASP 48 5.034 8.881 10.023 350 HB2 ASP 48 HB3 ASP 48 6.716 7.890 11.616 351 HB3 ASP 48 HB2 ASP 48 7.996 8.307 10.481 352 H GLN 49 H GLN 49 6.862 7.731 7.442 353 HA GLN 49 HA GLN 49 7.351 10.479 6.348 354 HB2 GLN 49 HB3 GLN 49 9.272 9.008 5.041 355 HB3 GLN 49 HB2 GLN 49 9.586 9.849 6.553 356 HG2 GLN 49 HG3 GLN 49 10.429 7.483 6.565 357 HG3 GLN 49 HG2 GLN 49 9.266 7.790 7.850 358 HE21 GLN 49 HE21 GLN 49 8.455 7.227 4.429 359 HE22 GLN 49 HE22 GLN 49 7.621 5.782 4.705 360 H GLU 50 H GLU 50 7.456 10.579 4.037 361 HA GLU 50 HA GLU 50 5.195 9.365 2.785 362 HB2 GLU 50 HB3 GLU 50 5.842 10.771 0.828 363 HB3 GLU 50 HB2 GLU 50 5.724 11.721 2.313 364 HG2 GLU 50 HG3 GLU 50 8.194 11.632 2.587 365 HG3 GLU 50 HG2 GLU 50 8.340 10.668 1.122 366 H LEU 51 H LEU 51 5.241 7.957 1.000 367 HA LEU 51 HA LEU 51 7.570 6.142 0.969 368 HB2 LEU 51 HB3 LEU 51 5.135 5.351 1.096 369 HB3 LEU 51 HB2 LEU 51 4.946 5.887 -0.566 370 HG LEU 51 HG LEU 51 7.097 4.295 -1.024 371 HD11 LEU 51 HD11 LEU 51 5.898 3.021 1.473 372 HD12 LEU 51 HD12 LEU 51 7.491 3.769 1.388 373 HD13 LEU 51 HD13 LEU 51 7.154 2.323 0.444 374 HD21 LEU 51 HD21 LEU 51 4.301 3.180 -0.522 375 HD22 LEU 51 HD22 LEU 51 5.559 2.363 -1.447 376 HD23 LEU 51 HD23 LEU 51 4.881 3.880 -2.030 377 H THR 52 H THR 52 9.115 6.459 -0.389 378 HA THR 52 HA THR 52 8.943 8.136 -2.729 379 HB THR 52 HB THR 52 10.961 8.238 -1.328 380 HG1 THR 52 HG1 THR 52 12.160 7.005 -3.399 381 HG21 THR 52 HG21 THR 52 10.955 5.902 -0.475 382 HG22 THR 52 HG22 THR 52 12.508 6.316 -1.202 383 HG23 THR 52 HG23 THR 52 11.368 5.312 -2.088 384 H GLU 53 H GLU 53 10.318 7.264 -4.495 385 HA GLU 53 HA GLU 53 8.590 5.494 -5.896 386 HB2 GLU 53 HB3 GLU 53 10.009 5.905 -7.858 387 HB3 GLU 53 HB2 GLU 53 9.631 7.413 -7.023 388 HG2 GLU 53 HG3 GLU 53 11.925 7.202 -5.857 389 HG3 GLU 53 HG2 GLU 53 12.285 5.896 -6.988 390 H HIS 54 H HIS 54 12.019 5.283 -5.016 391 HA HIS 54 HA HIS 54 12.563 2.766 -6.038 392 HB2 HIS 54 HB3 HIS 54 13.677 3.896 -3.432 393 HB3 HIS 54 HB2 HIS 54 14.415 2.602 -4.378 394 HD2 HIS 54 HD2 HIS 54 14.179 6.496 -4.393 395 HE1 HIS 54 HE1 HIS 54 16.325 5.357 -7.846 396 HE2 HIS 54 HE2 HIS 54 15.623 7.325 -6.405 397 H GLU 55 H GLU 55 11.487 3.362 -2.609 398 HA GLU 55 HA GLU 55 11.116 0.672 -1.906 399 HB2 GLU 55 HB3 GLU 55 9.634 3.174 -0.986 400 HB3 GLU 55 HB2 GLU 55 9.630 1.627 -0.131 401 HG2 GLU 55 HG3 GLU 55 12.107 1.791 0.168 402 HG3 GLU 55 HG2 GLU 55 12.109 3.335 -0.687 403 H HIS 56 H HIS 56 8.908 3.007 -3.478 404 HA HIS 56 HA HIS 56 6.586 1.380 -3.480 405 HB2 HIS 56 HB3 HIS 56 6.502 3.833 -3.888 406 HB3 HIS 56 HB2 HIS 56 7.305 3.594 -5.425 407 HD2 HIS 56 HD2 HIS 56 5.150 4.082 -7.174 408 HE1 HIS 56 HE1 HIS 56 2.508 1.322 -5.402 409 HE2 HIS 56 HE2 HIS 56 2.823 2.904 -7.364 410 H GLN 57 H GLN 57 9.107 1.903 -6.064 411 HA GLN 57 HA GLN 57 7.980 0.251 -8.009 412 HB2 GLN 57 HB3 GLN 57 10.985 0.430 -7.499 413 HB3 GLN 57 HB2 GLN 57 10.194 0.017 -9.016 414 HG2 GLN 57 HG3 GLN 57 10.661 2.752 -7.803 415 HG3 GLN 57 HG2 GLN 57 10.656 2.266 -9.474 416 HE21 GLN 57 HE21 GLN 57 8.647 3.806 -6.996 417 HE22 GLN 57 HE22 GLN 57 7.262 3.916 -7.958 418 H GLN 58 H GLN 58 10.065 -0.770 -5.291 419 HA GLN 58 HA GLN 58 10.271 -3.539 -6.003 420 HB2 GLN 58 HB3 GLN 58 10.381 -2.125 -3.304 421 HB3 GLN 58 HB2 GLN 58 10.837 -3.813 -3.546 422 HG2 GLN 58 HG3 GLN 58 12.606 -3.107 -5.162 423 HG3 GLN 58 HG2 GLN 58 12.153 -1.422 -4.931 424 HE21 GLN 58 HE21 GLN 58 14.711 -3.047 -4.215 425 HE22 GLN 58 HE22 GLN 58 14.987 -2.647 -2.589 426 H MET 59 H MET 59 8.003 -1.823 -3.777 427 HA MET 59 HA MET 59 6.392 -3.982 -3.070 428 HB2 MET 59 HB3 MET 59 6.118 -2.049 -1.735 429 HB3 MET 59 HB2 MET 59 6.132 -0.967 -3.107 430 HG2 MET 59 HG3 MET 59 3.807 -2.867 -2.698 431 HG3 MET 59 HG2 MET 59 3.854 -1.303 -1.883 432 HE1 MET 59 HE1 MET 59 1.247 -1.012 -4.772 433 HE2 MET 59 HE2 MET 59 1.510 -0.925 -3.036 434 HE3 MET 59 HE3 MET 59 1.694 -2.456 -3.870 435 H ARG 60 H ARG 60 6.156 -1.677 -5.817 436 HA ARG 60 HA ARG 60 3.680 -2.517 -6.792 437 HB2 ARG 60 HB3 ARG 60 5.053 -0.490 -7.488 438 HB3 ARG 60 HB2 ARG 60 6.075 -1.568 -8.440 439 HG2 ARG 60 HG3 ARG 60 4.034 -2.309 -9.719 440 HG3 ARG 60 HG2 ARG 60 3.074 -1.158 -8.787 441 HD2 ARG 60 HD3 ARG 60 3.643 -0.172 -10.935 442 HD3 ARG 60 HD2 ARG 60 4.537 0.678 -9.664 443 HE ARG 60 HE ARG 60 6.506 -0.093 -10.600 444 HH11 ARG 60 HH21 ARG 60 3.871 -2.048 -11.809 445 HH12 ARG 60 HH22 ARG 60 4.875 -2.921 -12.918 446 HH21 ARG 60 HH11 ARG 60 7.783 -1.262 -12.045 447 HH22 ARG 60 HH12 ARG 60 7.069 -2.478 -13.051 448 H ASP 61 H ASP 61 7.000 -3.658 -7.785 449 HA ASP 61 HA ASP 61 6.215 -5.649 -9.559 450 HB2 ASP 61 HB3 ASP 61 8.596 -5.441 -7.670 451 HB3 ASP 61 HB2 ASP 61 8.509 -6.583 -9.017 452 H ASP 62 H ASP 62 6.496 -5.666 -6.011 453 HA ASP 62 HA ASP 62 6.171 -8.499 -5.659 454 HB2 ASP 62 HB3 ASP 62 5.624 -6.242 -3.687 455 HB3 ASP 62 HB2 ASP 62 5.827 -7.938 -3.284 456 H LEU 63 H LEU 63 3.975 -5.684 -5.779 457 HA LEU 63 HA LEU 63 1.650 -6.976 -4.895 458 HB2 LEU 63 HB3 LEU 63 1.850 -4.511 -5.181 459 HB3 LEU 63 HB2 LEU 63 1.871 -4.711 -6.922 460 HG LEU 63 HG LEU 63 -0.449 -5.686 -6.829 461 HD11 LEU 63 HD11 LEU 63 -0.693 -6.700 -4.726 462 HD12 LEU 63 HD12 LEU 63 -1.690 -5.278 -4.566 463 HD13 LEU 63 HD13 LEU 63 -0.080 -5.304 -3.844 464 HD21 LEU 63 HD21 LEU 63 -0.187 -3.291 -7.241 465 HD22 LEU 63 HD22 LEU 63 -0.128 -2.967 -5.510 466 HD23 LEU 63 HD23 LEU 63 -1.618 -3.553 -6.243 467 H GLU 64 H GLU 64 2.849 -6.427 -8.274 468 HA GLU 64 HA GLU 64 0.761 -7.767 -9.601 469 HB2 GLU 64 HB3 GLU 64 2.536 -6.340 -10.662 470 HB3 GLU 64 HB2 GLU 64 3.698 -7.646 -10.424 471 HG2 GLU 64 HG3 GLU 64 2.305 -9.139 -11.856 472 HG3 GLU 64 HG2 GLU 64 1.142 -7.839 -12.077 473 H LYS 65 H LYS 65 3.815 -9.057 -8.315 474 HA LYS 65 HA LYS 65 3.551 -11.758 -9.129 475 HB2 LYS 65 HB3 LYS 65 4.990 -10.414 -6.812 476 HB3 LYS 65 HB2 LYS 65 5.231 -12.122 -7.183 477 HG2 LYS 65 HG3 LYS 65 5.713 -9.956 -9.293 478 HG3 LYS 65 HG2 LYS 65 6.975 -10.400 -8.142 479 HD2 LYS 65 HD3 LYS 65 6.941 -12.735 -8.953 480 HD3 LYS 65 HD2 LYS 65 5.626 -12.362 -10.063 481 HE2 LYS 65 HE3 LYS 65 7.815 -12.333 -11.250 482 HE3 LYS 65 HE2 LYS 65 7.070 -10.732 -11.261 483 HZ1 LYS 65 HZ1 LYS 65 8.519 -9.956 -9.657 484 HZ2 LYS 65 HZ2 LYS 65 9.519 -10.942 -10.614 485 HZ3 LYS 65 HZ3 LYS 65 8.942 -11.508 -9.120 486 H GLU 66 H GLU 66 2.563 -10.164 -6.080 487 HA GLU 66 HA GLU 66 1.537 -12.507 -4.772 488 HB2 GLU 66 HB3 GLU 66 1.061 -9.519 -4.410 489 HB3 GLU 66 HB2 GLU 66 0.275 -10.704 -3.366 490 HG2 GLU 66 HG3 GLU 66 2.487 -11.550 -2.639 491 HG3 GLU 66 HG2 GLU 66 3.302 -10.436 -3.711 492 H ARG 67 H ARG 67 0.011 -9.967 -6.807 493 HA ARG 67 HA ARG 67 -2.668 -10.762 -6.614 494 HB2 ARG 67 HB3 ARG 67 -1.092 -9.431 -8.836 495 HB3 ARG 67 HB2 ARG 67 -2.800 -9.795 -9.070 496 HG2 ARG 67 HG3 ARG 67 -3.383 -8.403 -7.097 497 HG3 ARG 67 HG2 ARG 67 -1.687 -8.062 -6.806 498 HD2 ARG 67 HD3 ARG 67 -2.814 -6.186 -8.053 499 HD3 ARG 67 HD2 ARG 67 -1.495 -6.903 -8.971 500 HE ARG 67 HE ARG 67 -3.022 -7.562 -10.561 501 HH11 ARG 67 HH21 ARG 67 -4.753 -7.028 -7.571 502 HH12 ARG 67 HH22 ARG 67 -6.304 -7.311 -8.291 503 HH21 ARG 67 HH11 ARG 67 -5.043 -7.973 -11.440 504 HH22 ARG 67 HH12 ARG 67 -6.466 -7.842 -10.460 505 H GLU 68 H GLU 68 -0.139 -11.991 -8.863 506 HA GLU 68 HA GLU 68 -1.793 -13.776 -10.335 507 HB2 GLU 68 HB3 GLU 68 0.525 -13.054 -11.000 508 HB3 GLU 68 HB2 GLU 68 1.189 -14.049 -9.706 509 HG2 GLU 68 HG3 GLU 68 0.193 -16.085 -10.763 510 HG3 GLU 68 HG2 GLU 68 -0.485 -15.088 -12.043 511 H ASP 69 H ASP 69 0.632 -14.668 -7.841 512 HA ASP 69 HA ASP 69 -0.192 -17.286 -7.388 513 HB2 ASP 69 HB3 ASP 69 0.916 -15.385 -5.278 514 HB3 ASP 69 HB2 ASP 69 0.946 -17.150 -5.194 515 H LEU 70 H LEU 70 -1.441 -14.330 -5.859 516 HA LEU 70 HA LEU 70 -3.199 -15.516 -3.996 517 HB2 LEU 70 HB3 LEU 70 -2.564 -13.120 -3.862 518 HB3 LEU 70 HB2 LEU 70 -3.402 -12.813 -5.381 519 HG LEU 70 HG LEU 70 -5.588 -13.394 -4.287 520 HD11 LEU 70 HD11 LEU 70 -5.529 -13.528 -1.680 521 HD12 LEU 70 HD12 LEU 70 -3.832 -13.982 -1.877 522 HD13 LEU 70 HD13 LEU 70 -5.108 -14.967 -2.597 523 HD21 LEU 70 HD21 LEU 70 -5.744 -11.399 -2.824 524 HD22 LEU 70 HD22 LEU 70 -4.828 -11.040 -4.284 525 HD23 LEU 70 HD23 LEU 70 -3.983 -11.307 -2.757 526 H ASP 71 H ASP 71 -3.644 -14.557 -7.387 527 HA ASP 71 HA ASP 71 -6.439 -14.837 -7.567 528 HB2 ASP 71 HB3 ASP 71 -4.983 -13.812 -9.347 529 HB3 ASP 71 HB2 ASP 71 -4.432 -15.420 -9.798 530 H LEU 72 H LEU 72 -3.896 -17.233 -8.325 531 HA LEU 72 HA LEU 72 -5.653 -19.432 -8.868 532 HB2 LEU 72 HB3 LEU 72 -2.699 -19.122 -8.221 533 HB3 LEU 72 HB2 LEU 72 -3.400 -20.740 -8.311 534 HG LEU 72 HG LEU 72 -4.139 -20.269 -10.663 535 HD11 LEU 72 HD11 LEU 72 -4.446 -17.889 -10.666 536 HD12 LEU 72 HD12 LEU 72 -3.162 -18.225 -11.818 537 HD13 LEU 72 HD13 LEU 72 -2.766 -17.597 -10.219 538 HD21 LEU 72 HD21 LEU 72 -1.927 -21.340 -10.257 539 HD22 LEU 72 HD22 LEU 72 -1.165 -19.749 -10.194 540 HD23 LEU 72 HD23 LEU 72 -1.878 -20.329 -11.701 541 H ASP 73 H ASP 73 -3.921 -18.376 -5.908 542 HA ASP 73 HA ASP 73 -4.933 -20.549 -4.247 543 HB2 ASP 73 HB3 ASP 73 -3.555 -17.929 -3.486 544 HB3 ASP 73 HB2 ASP 73 -3.797 -19.308 -2.418 545 H HIS 74 H HIS 74 -7.213 -20.320 -4.647 546 HA HIS 74 HA HIS 74 -8.764 -17.989 -4.166 547 HB2 HIS 74 HB3 HIS 74 -9.538 -20.939 -3.970 548 HB3 HIS 74 HB2 HIS 74 -10.685 -19.601 -4.038 549 HD2 HIS 74 HD2 HIS 74 -10.766 -18.249 -6.598 550 HE1 HIS 74 HE1 HIS 74 -8.617 -21.252 -8.645 551 HE2 HIS 74 HE2 HIS 74 -10.032 -19.163 -8.932 552 H SER 75 H SER 75 -7.958 -20.773 -2.105 553 HA SER 75 HA SER 75 -9.297 -19.812 0.251 554 HB2 SER 75 HB3 SER 75 -8.132 -21.643 1.391 555 HB3 SER 75 HB2 SER 75 -8.695 -22.224 -0.175 556 HG SER 75 HG SER 75 -6.693 -22.595 -0.657 557 H SER 76 H SER 76 -8.373 -18.819 2.077 558 HA SER 76 HA SER 76 -6.391 -16.836 1.664 559 HB2 SER 76 HB3 SER 76 -8.127 -16.635 3.405 560 HB3 SER 76 HB2 SER 76 -7.453 -18.022 4.258 561 HG SER 76 HG SER 76 -5.422 -16.711 4.210 562 H LEU 77 H LEU 77 -6.251 -20.028 3.226 563 HA LEU 77 HA LEU 77 -3.487 -19.813 4.058 564 HB2 LEU 77 HB3 LEU 77 -3.812 -22.361 4.502 565 HB3 LEU 77 HB2 LEU 77 -4.828 -21.267 5.435 566 HG LEU 77 HG LEU 77 -6.098 -22.139 2.832 567 HD11 LEU 77 HD11 LEU 77 -5.643 -24.194 5.032 568 HD12 LEU 77 HD12 LEU 77 -5.016 -24.273 3.388 569 HD13 LEU 77 HD13 LEU 77 -6.753 -24.399 3.671 570 HD21 LEU 77 HD21 LEU 77 -7.302 -20.833 4.634 571 HD22 LEU 77 HD22 LEU 77 -7.157 -22.234 5.702 572 HD23 LEU 77 HD23 LEU 77 -8.101 -22.348 4.214 573 HA PRO 78 HA PRO 78 -1.697 -21.229 0.127 574 HB2 PRO 78 HB3 PRO 78 0.719 -22.295 0.885 575 HB3 PRO 78 HB2 PRO 78 0.389 -20.550 1.045 576 HG2 PRO 78 HG3 PRO 78 0.112 -22.699 3.165 577 HG3 PRO 78 HG2 PRO 78 1.003 -21.158 3.262 578 HD2 PRO 78 HD2 PRO 78 -1.527 -21.322 4.271 579 HD3 PRO 78 HD3 PRO 78 -1.016 -19.858 3.404 Start of MODEL 10 1 H1 ASN 1 1H ASN 1 -10.405 -5.587 -3.830 2 H2 ASN 1 2H ASN 1 -9.160 -6.707 -3.542 3 H3 ASN 1 3H ASN 1 -10.782 -7.216 -3.547 4 HA ASN 1 HA ASN 1 -9.482 -6.019 -5.922 5 HB2 ASN 1 HB3 ASN 1 -9.247 -8.427 -6.722 6 HB3 ASN 1 HB2 ASN 1 -8.189 -8.024 -5.372 7 HD21 ASN 1 HD21 ASN 1 -8.773 -8.857 -3.227 8 HD22 ASN 1 HD22 ASN 1 -9.836 -10.172 -3.075 9 H THR 2 H THR 2 -11.908 -8.429 -4.782 10 HA THR 2 HA THR 2 -13.616 -8.245 -7.038 11 HB THR 2 HB THR 2 -14.385 -9.038 -4.175 12 HG1 THR 2 HG1 THR 2 -13.661 -10.942 -6.034 13 HG21 THR 2 HG21 THR 2 -16.324 -8.875 -5.752 14 HG22 THR 2 HG22 THR 2 -15.992 -10.552 -5.322 15 HG23 THR 2 HG23 THR 2 -15.478 -9.931 -6.886 16 H VAL 3 H VAL 3 -13.913 -6.758 -3.770 17 HA VAL 3 HA VAL 3 -16.277 -5.253 -4.323 18 HB VAL 3 HB VAL 3 -15.694 -4.031 -2.206 19 HG11 VAL 3 HG11 VAL 3 -16.811 -6.263 -2.069 20 HG12 VAL 3 HG12 VAL 3 -15.718 -6.032 -0.706 21 HG13 VAL 3 HG13 VAL 3 -15.237 -7.064 -2.056 22 HG21 VAL 3 HG21 VAL 3 -13.225 -3.877 -2.441 23 HG22 VAL 3 HG22 VAL 3 -13.075 -5.633 -2.397 24 HG23 VAL 3 HG23 VAL 3 -13.600 -4.753 -0.964 25 H ASP 4 H ASP 4 -12.830 -4.547 -4.626 26 HA ASP 4 HA ASP 4 -13.273 -2.510 -6.607 27 HB2 ASP 4 HB3 ASP 4 -13.843 -1.228 -4.525 28 HB3 ASP 4 HB2 ASP 4 -12.254 -1.602 -3.864 29 H ASP 5 H ASP 5 -11.289 -1.717 -7.488 30 HA ASP 5 HA ASP 5 -9.139 -3.659 -7.505 31 HB2 ASP 5 HB3 ASP 5 -9.344 -0.881 -8.764 32 HB3 ASP 5 HB2 ASP 5 -8.140 -2.105 -9.168 33 H ILE 6 H ILE 6 -8.241 -3.691 -5.435 34 HA ILE 6 HA ILE 6 -7.471 -1.418 -3.890 35 HB ILE 6 HB ILE 6 -7.823 -3.665 -2.920 36 HG12 ILE 6 HG13 ILE 6 -4.885 -2.814 -2.533 37 HG13 ILE 6 HG12 ILE 6 -6.250 -2.015 -1.758 38 HG21 ILE 6 HG21 ILE 6 -5.262 -4.511 -4.371 39 HG22 ILE 6 HG22 ILE 6 -6.888 -5.009 -4.829 40 HG23 ILE 6 HG23 ILE 6 -6.217 -5.517 -3.285 41 HD11 ILE 6 HD11 ILE 6 -6.850 -4.211 -0.677 42 HD12 ILE 6 HD12 ILE 6 -5.287 -3.582 -0.208 43 HD13 ILE 6 HD13 ILE 6 -5.378 -4.898 -1.362 44 H SER 7 H SER 7 -5.980 -3.169 -6.499 45 HA SER 7 HA SER 7 -3.283 -2.517 -6.221 46 HB2 SER 7 HB3 SER 7 -4.919 -2.797 -8.766 47 HB3 SER 7 HB2 SER 7 -3.155 -2.849 -8.697 48 HG SER 7 HG SER 7 -3.595 -4.582 -7.044 49 H GLU 8 H GLU 8 -5.966 -0.433 -7.023 50 HA GLU 8 HA GLU 8 -4.445 1.687 -8.304 51 HB2 GLU 8 HB3 GLU 8 -7.222 1.634 -7.034 52 HB3 GLU 8 HB2 GLU 8 -6.576 2.978 -7.986 53 HG2 GLU 8 HG3 GLU 8 -6.332 1.449 -9.961 54 HG3 GLU 8 HG2 GLU 8 -7.008 0.125 -9.017 55 H SER 9 H SER 9 -5.695 1.060 -5.001 56 HA SER 9 HA SER 9 -4.977 3.535 -3.823 57 HB2 SER 9 HB3 SER 9 -5.186 2.329 -1.665 58 HB3 SER 9 HB2 SER 9 -6.478 1.839 -2.764 59 HG SER 9 HG SER 9 -5.697 -0.061 -2.191 60 H LEU 10 H LEU 10 -3.191 0.425 -3.948 61 HA LEU 10 HA LEU 10 -0.871 1.272 -2.538 62 HB2 LEU 10 HB3 LEU 10 -1.038 -0.787 -4.795 63 HB3 LEU 10 HB2 LEU 10 0.180 -0.729 -3.515 64 HG LEU 10 HG LEU 10 -2.823 -1.267 -3.091 65 HD11 LEU 10 HD11 LEU 10 -0.439 -3.130 -2.866 66 HD12 LEU 10 HD12 LEU 10 -1.637 -3.151 -4.167 67 HD13 LEU 10 HD13 LEU 10 -2.113 -3.563 -2.522 68 HD21 LEU 10 HD21 LEU 10 -0.496 -0.995 -1.141 69 HD22 LEU 10 HD22 LEU 10 -1.904 -1.973 -0.752 70 HD23 LEU 10 HD23 LEU 10 -2.098 -0.260 -1.075 71 H ARG 11 H ARG 11 -1.594 1.296 -6.054 72 HA ARG 11 HA ARG 11 0.952 2.296 -6.879 73 HB2 ARG 11 HB3 ARG 11 -1.797 2.280 -8.144 74 HB3 ARG 11 HB2 ARG 11 -0.403 2.940 -9.005 75 HG2 ARG 11 HG3 ARG 11 0.755 0.767 -8.860 76 HG3 ARG 11 HG2 ARG 11 -0.547 0.070 -7.915 77 HD2 ARG 11 HD3 ARG 11 -0.744 -0.597 -10.305 78 HD3 ARG 11 HD2 ARG 11 -2.116 0.420 -9.833 79 HE ARG 11 HE ARG 11 -0.038 2.077 -10.837 80 HH11 ARG 11 HH21 ARG 11 -2.338 -0.299 -11.928 81 HH12 ARG 11 HH22 ARG 11 -2.439 0.349 -13.531 82 HH21 ARG 11 HH11 ARG 11 -0.188 2.916 -12.923 83 HH22 ARG 11 HH12 ARG 11 -1.222 2.166 -14.091 84 H GLN 12 H GLN 12 -2.189 3.918 -6.465 85 HA GLN 12 HA GLN 12 -2.811 6.066 -6.135 86 HB2 GLN 12 HB3 GLN 12 -1.470 5.590 -4.014 87 HB3 GLN 12 HB2 GLN 12 -0.089 6.368 -4.779 88 HG2 GLN 12 HG3 GLN 12 -1.171 8.016 -3.336 89 HG3 GLN 12 HG2 GLN 12 -1.475 8.494 -5.004 90 HE21 GLN 12 HE21 GLN 12 -3.555 9.475 -4.849 91 HE22 GLN 12 HE22 GLN 12 -4.916 8.706 -4.187 92 H GLY 13 H GLY 13 0.684 6.596 -6.512 93 HA2 GLY 13 HA3 GLY 13 1.945 7.579 -8.158 94 HA3 GLY 13 HA2 GLY 13 0.523 7.685 -9.191 95 H GLY 14 H GLY 14 0.174 8.860 -6.009 96 HA2 GLY 14 HA3 GLY 14 -0.315 11.601 -6.840 97 HA3 GLY 14 HA2 GLY 14 -0.413 10.941 -5.211 98 H GLY 15 H GLY 15 2.399 9.792 -5.660 99 HA2 GLY 15 HA3 GLY 15 4.641 10.546 -5.715 100 HA3 GLY 15 HA2 GLY 15 4.119 12.222 -5.575 101 H LYS 16 H LYS 16 2.235 11.502 -3.383 102 HA LYS 16 HA LYS 16 4.164 11.104 -1.096 103 HB2 LYS 16 HB3 LYS 16 1.651 12.833 -1.179 104 HB3 LYS 16 HB2 LYS 16 2.756 12.661 0.199 105 HG2 LYS 16 HG3 LYS 16 4.639 13.563 -1.312 106 HG3 LYS 16 HG2 LYS 16 3.402 13.922 -2.525 107 HD2 LYS 16 HD3 LYS 16 3.564 15.106 0.299 108 HD3 LYS 16 HD2 LYS 16 3.912 15.953 -1.206 109 HE2 LYS 16 HE3 LYS 16 1.462 15.458 -1.891 110 HE3 LYS 16 HE2 LYS 16 1.200 15.004 -0.201 111 HZ1 LYS 16 HZ1 LYS 16 2.123 17.626 -1.244 112 HZ2 LYS 16 HZ2 LYS 16 2.164 17.205 0.402 113 HZ3 LYS 16 HZ3 LYS 16 0.680 17.287 -0.420 114 H LEU 17 H LEU 17 3.699 9.409 0.120 115 HA LEU 17 HA LEU 17 0.988 8.380 0.434 116 HB2 LEU 17 HB3 LEU 17 3.255 7.061 -0.940 117 HB3 LEU 17 HB2 LEU 17 2.611 6.060 0.339 118 HG LEU 17 HG LEU 17 0.735 7.255 -1.774 119 HD11 LEU 17 HD11 LEU 17 2.179 4.580 -1.903 120 HD12 LEU 17 HD12 LEU 17 2.392 5.928 -3.014 121 HD13 LEU 17 HD13 LEU 17 0.863 5.060 -2.961 122 HD21 LEU 17 HD21 LEU 17 -0.239 6.308 0.372 123 HD22 LEU 17 HD22 LEU 17 0.494 4.768 -0.002 124 HD23 LEU 17 HD23 LEU 17 -0.746 5.429 -1.057 125 H ASN 18 H ASN 18 0.538 8.632 2.436 126 HA ASN 18 HA ASN 18 2.450 7.789 4.584 127 HB2 ASN 18 HB3 ASN 18 1.297 9.692 5.948 128 HB3 ASN 18 HB2 ASN 18 2.451 10.211 4.723 129 HD21 ASN 18 HD21 ASN 18 1.433 10.763 2.518 130 HD22 ASN 18 HD22 ASN 18 -0.086 11.517 2.534 131 H PHE 19 H PHE 19 1.558 6.514 6.065 132 HA PHE 19 HA PHE 19 -0.388 4.785 5.889 133 HB2 PHE 19 HB3 PHE 19 -0.614 4.792 8.368 134 HB3 PHE 19 HB2 PHE 19 1.064 4.960 7.846 135 HD1 PHE 19 HD1 PHE 19 2.204 7.210 7.847 136 HD2 PHE 19 HD2 PHE 19 -1.747 6.714 9.521 137 HE1 PHE 19 HE1 PHE 19 2.403 9.402 8.974 138 HE2 PHE 19 HE2 PHE 19 -1.545 8.917 10.627 139 HZ PHE 19 HZ PHE 19 0.522 10.266 10.350 140 H ASP 20 H ASP 20 -1.085 8.173 6.620 141 HA ASP 20 HA ASP 20 -3.861 7.762 7.308 142 HB2 ASP 20 HB3 ASP 20 -2.412 9.654 8.120 143 HB3 ASP 20 HB2 ASP 20 -2.421 10.343 6.507 144 H GLU 21 H GLU 21 -2.212 9.065 4.471 145 HA GLU 21 HA GLU 21 -4.501 9.710 3.018 146 HB2 GLU 21 HB3 GLU 21 -3.031 10.420 1.311 147 HB3 GLU 21 HB2 GLU 21 -1.787 10.100 2.515 148 HG2 GLU 21 HG3 GLU 21 -1.140 9.131 0.397 149 HG3 GLU 21 HG2 GLU 21 -1.470 7.835 1.557 150 H LEU 22 H LEU 22 -2.719 6.812 3.019 151 HA LEU 22 HA LEU 22 -4.420 5.434 1.006 152 HB2 LEU 22 HB3 LEU 22 -3.024 3.443 1.516 153 HB3 LEU 22 HB2 LEU 22 -2.088 4.857 1.085 154 HG LEU 22 HG LEU 22 -2.100 5.173 3.879 155 HD11 LEU 22 HD11 LEU 22 -2.090 3.202 5.037 156 HD12 LEU 22 HD12 LEU 22 -1.663 2.204 3.645 157 HD13 LEU 22 HD13 LEU 22 -3.298 2.775 3.866 158 HD21 LEU 22 HD21 LEU 22 -0.047 5.359 2.638 159 HD22 LEU 22 HD22 LEU 22 -0.106 3.677 2.123 160 HD23 LEU 22 HD23 LEU 22 0.237 4.071 3.782 161 H ARG 23 H ARG 23 -3.947 5.117 4.542 162 HA ARG 23 HA ARG 23 -5.783 3.040 4.975 163 HB2 ARG 23 HB3 ARG 23 -4.144 3.819 6.649 164 HB3 ARG 23 HB2 ARG 23 -5.053 5.329 6.838 165 HG2 ARG 23 HG3 ARG 23 -6.979 3.261 7.363 166 HG3 ARG 23 HG2 ARG 23 -5.501 2.692 8.116 167 HD2 ARG 23 HD3 ARG 23 -5.315 4.823 9.362 168 HD3 ARG 23 HD2 ARG 23 -6.828 5.364 8.613 169 HE ARG 23 HE ARG 23 -7.253 2.827 9.776 170 HH11 ARG 23 HH21 ARG 23 -6.619 6.106 10.698 171 HH12 ARG 23 HH22 ARG 23 -7.433 5.980 12.221 172 HH21 ARG 23 HH11 ARG 23 -8.317 2.648 11.750 173 HH22 ARG 23 HH12 ARG 23 -8.402 4.006 12.821 174 H GLN 24 H GLN 24 -6.332 6.542 5.285 175 HA GLN 24 HA GLN 24 -9.066 6.494 5.915 176 HB2 GLN 24 HB3 GLN 24 -7.432 8.553 4.395 177 HB3 GLN 24 HB2 GLN 24 -9.079 8.843 4.982 178 HG2 GLN 24 HG3 GLN 24 -8.337 8.353 7.304 179 HG3 GLN 24 HG2 GLN 24 -6.704 8.089 6.737 180 HE21 GLN 24 HE21 GLN 24 -8.635 10.419 8.119 181 HE22 GLN 24 HE22 GLN 24 -7.883 11.808 7.538 182 H ASP 25 H ASP 25 -7.480 6.196 2.745 183 HA ASP 25 HA ASP 25 -9.851 6.605 1.196 184 HB2 ASP 25 HB3 ASP 25 -7.515 7.010 0.368 185 HB3 ASP 25 HB2 ASP 25 -7.174 5.294 0.523 186 H LEU 26 H LEU 26 -7.843 3.886 2.325 187 HA LEU 26 HA LEU 26 -9.337 1.780 1.057 188 HB2 LEU 26 HB3 LEU 26 -7.583 1.618 3.515 189 HB3 LEU 26 HB2 LEU 26 -8.214 0.209 2.663 190 HG LEU 26 HG LEU 26 -6.480 2.260 1.169 191 HD11 LEU 26 HD11 LEU 26 -4.523 0.795 1.592 192 HD12 LEU 26 HD12 LEU 26 -5.502 -0.234 2.640 193 HD13 LEU 26 HD13 LEU 26 -5.158 1.424 3.105 194 HD21 LEU 26 HD21 LEU 26 -7.736 0.668 -0.261 195 HD22 LEU 26 HD22 LEU 26 -7.090 -0.678 0.652 196 HD23 LEU 26 HD23 LEU 26 -6.025 0.314 -0.313 197 H LYS 27 H LYS 27 -9.866 3.415 4.063 198 HA LYS 27 HA LYS 27 -11.600 1.542 5.336 199 HB2 LYS 27 HB3 LYS 27 -10.651 3.593 6.367 200 HB3 LYS 27 HB2 LYS 27 -11.665 4.578 5.310 201 HG2 LYS 27 HG3 LYS 27 -13.721 3.712 6.372 202 HG3 LYS 27 HG2 LYS 27 -12.788 2.535 7.304 203 HD2 LYS 27 HD3 LYS 27 -13.437 4.487 8.706 204 HD3 LYS 27 HD2 LYS 27 -11.683 4.357 8.569 205 HE2 LYS 27 HE3 LYS 27 -11.554 6.273 7.086 206 HE3 LYS 27 HE2 LYS 27 -13.289 6.199 6.721 207 HZ1 LYS 27 HZ1 LYS 27 -12.868 6.406 9.514 208 HZ2 LYS 27 HZ2 LYS 27 -13.735 7.434 8.476 209 HZ3 LYS 27 HZ3 LYS 27 -12.069 7.665 8.706 210 H GLY 28 H GLY 28 -12.278 4.126 2.957 211 HA2 GLY 28 HA3 GLY 28 -15.095 3.829 2.756 212 HA3 GLY 28 HA2 GLY 28 -14.036 4.511 1.529 213 H LYS 29 H LYS 29 -12.438 2.126 1.138 214 HA LYS 29 HA LYS 29 -14.005 0.758 -0.839 215 HB2 LYS 29 HB3 LYS 29 -11.289 -0.028 0.330 216 HB3 LYS 29 HB2 LYS 29 -11.941 -0.484 -1.235 217 HG2 LYS 29 HG3 LYS 29 -11.235 2.374 -0.452 218 HG3 LYS 29 HG2 LYS 29 -10.190 1.320 -1.398 219 HD2 LYS 29 HD3 LYS 29 -11.985 1.161 -3.143 220 HD3 LYS 29 HD2 LYS 29 -12.979 2.267 -2.224 221 HE2 LYS 29 HE3 LYS 29 -11.295 4.040 -2.464 222 HE3 LYS 29 HE2 LYS 29 -10.259 2.938 -3.382 223 HZ1 LYS 29 HZ1 LYS 29 -12.647 2.689 -4.624 224 HZ2 LYS 29 HZ2 LYS 29 -11.379 3.690 -5.147 225 HZ3 LYS 29 HZ3 LYS 29 -12.642 4.334 -4.212 226 H GLY 30 H GLY 30 -14.219 0.480 2.330 227 HA2 GLY 30 HA3 GLY 30 -15.268 -1.019 3.737 228 HA3 GLY 30 HA2 GLY 30 -15.678 -1.974 2.318 229 H HIS 31 H HIS 31 -12.253 -1.237 2.901 230 HA HIS 31 HA HIS 31 -11.608 -4.018 3.072 231 HB2 HIS 31 HB3 HIS 31 -10.024 -1.428 3.408 232 HB3 HIS 31 HB2 HIS 31 -9.291 -3.024 3.575 233 HD2 HIS 31 HD2 HIS 31 -7.848 -2.940 1.187 234 HE1 HIS 31 HE1 HIS 31 -11.247 -2.793 -1.310 235 HE2 HIS 31 HE2 HIS 31 -8.705 -3.082 -1.288 236 H THR 32 H THR 32 -10.291 -4.900 4.805 237 HA THR 32 HA THR 32 -11.674 -4.460 7.410 238 HB THR 32 HB THR 32 -10.799 -6.674 7.994 239 HG1 THR 32 HG1 THR 32 -9.700 -6.923 5.436 240 HG21 THR 32 HG21 THR 32 -12.885 -6.559 6.568 241 HG22 THR 32 HG22 THR 32 -11.946 -8.020 6.270 242 HG23 THR 32 HG23 THR 32 -11.870 -6.684 5.126 243 H ASP 33 H ASP 33 -10.431 -4.493 9.382 244 HA ASP 33 HA ASP 33 -8.349 -2.563 9.391 245 HB2 ASP 33 HB3 ASP 33 -9.157 -4.603 11.505 246 HB3 ASP 33 HB2 ASP 33 -8.117 -3.209 11.802 247 H ALA 34 H ALA 34 -8.291 -6.123 9.568 248 HA ALA 34 HA ALA 34 -5.523 -6.456 10.037 249 HB1 ALA 34 HB1 ALA 34 -5.836 -8.751 9.125 250 HB2 ALA 34 HB2 ALA 34 -7.393 -8.266 8.447 251 HB3 ALA 34 HB3 ALA 34 -7.171 -8.310 10.194 252 H GLU 35 H GLU 35 -7.297 -6.355 6.825 253 HA GLU 35 HA GLU 35 -4.961 -6.561 5.275 254 HB2 GLU 35 HB3 GLU 35 -7.709 -5.383 4.735 255 HB3 GLU 35 HB2 GLU 35 -6.527 -5.625 3.449 256 HG2 GLU 35 HG3 GLU 35 -7.621 -7.866 5.237 257 HG3 GLU 35 HG2 GLU 35 -8.220 -7.507 3.619 258 H ILE 36 H ILE 36 -6.827 -3.735 6.234 259 HA ILE 36 HA ILE 36 -5.408 -1.758 4.877 260 HB ILE 36 HB ILE 36 -6.815 -1.602 7.567 261 HG12 ILE 36 HG13 ILE 36 -7.782 -0.570 4.856 262 HG13 ILE 36 HG12 ILE 36 -8.123 -2.176 5.398 263 HG21 ILE 36 HG21 ILE 36 -6.951 0.919 7.101 264 HG22 ILE 36 HG22 ILE 36 -5.739 0.702 5.844 265 HG23 ILE 36 HG23 ILE 36 -5.348 0.359 7.528 266 HD11 ILE 36 HD11 ILE 36 -8.932 0.319 6.916 267 HD12 ILE 36 HD12 ILE 36 -9.350 -1.356 7.318 268 HD13 ILE 36 HD13 ILE 36 -9.989 -0.614 5.850 269 H GLU 37 H GLU 37 -4.860 -2.828 8.281 270 HA GLU 37 HA GLU 37 -2.718 -1.216 8.825 271 HB2 GLU 37 HB3 GLU 37 -2.330 -2.508 10.800 272 HB3 GLU 37 HB2 GLU 37 -4.065 -2.405 10.520 273 HG2 GLU 37 HG3 GLU 37 -3.908 -4.691 9.479 274 HG3 GLU 37 HG2 GLU 37 -2.256 -4.806 10.007 275 H ALA 38 H ALA 38 -2.834 -4.503 7.544 276 HA ALA 38 HA ALA 38 -0.081 -5.102 7.611 277 HB1 ALA 38 HB1 ALA 38 -1.915 -6.762 7.328 278 HB2 ALA 38 HB2 ALA 38 -0.753 -6.896 6.009 279 HB3 ALA 38 HB3 ALA 38 -2.297 -6.075 5.751 280 H ILE 39 H ILE 39 -2.123 -3.777 4.991 281 HA ILE 39 HA ILE 39 -0.155 -3.739 2.953 282 HB ILE 39 HB ILE 39 -2.819 -2.326 3.394 283 HG12 ILE 39 HG13 ILE 39 -3.242 -3.111 0.981 284 HG13 ILE 39 HG12 ILE 39 -1.642 -3.843 0.986 285 HG21 ILE 39 HG21 ILE 39 -0.853 -1.180 1.346 286 HG22 ILE 39 HG22 ILE 39 -1.650 -0.294 2.653 287 HG23 ILE 39 HG23 ILE 39 -2.591 -0.881 1.299 288 HD11 ILE 39 HD11 ILE 39 -4.087 -4.592 2.582 289 HD12 ILE 39 HD12 ILE 39 -2.488 -5.110 3.149 290 HD13 ILE 39 HD13 ILE 39 -3.090 -5.610 1.561 291 H PHE 40 H PHE 40 -0.997 -1.086 5.200 292 HA PHE 40 HA PHE 40 0.955 0.710 4.043 293 HB2 PHE 40 HB3 PHE 40 0.107 2.310 5.467 294 HB3 PHE 40 HB2 PHE 40 -1.181 1.130 5.687 295 HD1 PHE 40 HD1 PHE 40 -1.341 -0.164 7.701 296 HD2 PHE 40 HD2 PHE 40 1.878 2.596 7.226 297 HE1 PHE 40 HE1 PHE 40 -0.795 -0.478 10.089 298 HE2 PHE 40 HE2 PHE 40 2.432 2.343 9.600 299 HZ PHE 40 HZ PHE 40 1.140 0.792 11.056 300 H THR 41 H THR 41 0.946 -1.543 6.759 301 HA THR 41 HA THR 41 3.368 -0.848 7.942 302 HB THR 41 HB THR 41 1.814 -3.446 7.747 303 HG1 THR 41 HG1 THR 41 2.113 -1.517 9.794 304 HG21 THR 41 HG21 THR 41 4.219 -2.750 9.468 305 HG22 THR 41 HG22 THR 41 4.024 -4.144 8.403 306 HG23 THR 41 HG23 THR 41 3.074 -4.019 9.874 307 H LYS 42 H LYS 42 2.707 -3.252 5.362 308 HA LYS 42 HA LYS 42 5.425 -4.058 5.143 309 HB2 LYS 42 HB3 LYS 42 3.451 -5.417 4.443 310 HB3 LYS 42 HB2 LYS 42 3.129 -4.277 3.136 311 HG2 LYS 42 HG3 LYS 42 5.372 -4.751 2.155 312 HG3 LYS 42 HG2 LYS 42 5.713 -5.872 3.478 313 HD2 LYS 42 HD3 LYS 42 3.786 -7.293 2.746 314 HD3 LYS 42 HD2 LYS 42 3.479 -6.174 1.414 315 HE2 LYS 42 HE3 LYS 42 5.753 -6.634 0.492 316 HE3 LYS 42 HE2 LYS 42 6.066 -7.749 1.829 317 HZ1 LYS 42 HZ1 LYS 42 4.301 -9.146 1.101 318 HZ2 LYS 42 HZ2 LYS 42 5.323 -8.841 -0.221 319 HZ3 LYS 42 HZ3 LYS 42 3.831 -8.040 -0.096 320 H TYR 43 H TYR 43 3.345 -1.899 3.159 321 HA TYR 43 HA TYR 43 5.433 -1.147 1.384 322 HB2 TYR 43 HB3 TYR 43 2.693 -0.009 1.943 323 HB3 TYR 43 HB2 TYR 43 3.779 0.880 0.910 324 HD1 TYR 43 HD1 TYR 43 2.528 -2.661 1.309 325 HD2 TYR 43 HD2 TYR 43 3.623 0.482 -1.455 326 HE1 TYR 43 HE1 TYR 43 1.841 -4.065 -0.600 327 HE2 TYR 43 HE2 TYR 43 2.948 -0.960 -3.333 328 HH TYR 43 HH TYR 43 2.683 -3.278 -3.816 329 H ASP 44 H ASP 44 4.411 0.204 4.443 330 HA ASP 44 HA ASP 44 6.527 2.303 4.259 331 HB2 ASP 44 HB3 ASP 44 4.199 2.392 6.228 332 HB3 ASP 44 HB2 ASP 44 5.207 3.694 5.603 333 H GLN 45 H GLN 45 8.285 1.478 5.198 334 HA GLN 45 HA GLN 45 8.364 -0.636 7.042 335 HB2 GLN 45 HB3 GLN 45 10.401 1.602 6.609 336 HB3 GLN 45 HB2 GLN 45 10.755 0.030 7.337 337 HG2 GLN 45 HG3 GLN 45 9.792 0.478 4.456 338 HG3 GLN 45 HG2 GLN 45 11.444 0.106 4.926 339 HE21 GLN 45 HE21 GLN 45 8.154 -1.253 4.747 340 HE22 GLN 45 HE22 GLN 45 8.646 -2.875 4.842 341 H ASP 46 H ASP 46 8.731 2.974 7.811 342 HA ASP 46 HA ASP 46 8.236 2.347 10.663 343 HB2 ASP 46 HB3 ASP 46 10.354 3.518 9.986 344 HB3 ASP 46 HB2 ASP 46 9.404 4.816 9.280 345 H GLY 47 H GLY 47 6.522 3.284 7.920 346 HA2 GLY 47 HA3 GLY 47 4.511 4.450 7.601 347 HA3 GLY 47 HA2 GLY 47 4.171 3.990 9.235 348 H ASP 48 H ASP 48 6.951 5.971 8.700 349 HA ASP 48 HA ASP 48 5.557 8.402 9.813 350 HB2 ASP 48 HB3 ASP 48 8.418 7.406 10.176 351 HB3 ASP 48 HB2 ASP 48 7.752 8.873 10.892 352 H GLN 49 H GLN 49 7.313 7.141 7.163 353 HA GLN 49 HA GLN 49 7.896 9.898 6.086 354 HB2 GLN 49 HB3 GLN 49 9.804 8.693 4.806 355 HB3 GLN 49 HB2 GLN 49 10.045 8.936 6.535 356 HG2 GLN 49 HG3 GLN 49 10.734 6.650 5.877 357 HG3 GLN 49 HG2 GLN 49 9.376 6.570 6.991 358 HE21 GLN 49 HE21 GLN 49 8.149 4.787 6.313 359 HE22 GLN 49 HE22 GLN 49 7.683 4.484 4.709 360 H GLU 50 H GLU 50 7.838 10.115 3.775 361 HA GLU 50 HA GLU 50 5.595 8.864 2.548 362 HB2 GLU 50 HB3 GLU 50 6.100 10.422 0.676 363 HB3 GLU 50 HB2 GLU 50 6.001 11.263 2.229 364 HG2 GLU 50 HG3 GLU 50 8.494 11.276 2.400 365 HG3 GLU 50 HG2 GLU 50 8.617 10.418 0.868 366 H LEU 51 H LEU 51 5.633 7.641 0.692 367 HA LEU 51 HA LEU 51 8.022 5.885 0.448 368 HB2 LEU 51 HB3 LEU 51 5.371 5.595 -1.039 369 HB3 LEU 51 HB2 LEU 51 6.587 4.354 -0.701 370 HG LEU 51 HG LEU 51 4.753 5.728 1.347 371 HD11 LEU 51 HD11 LEU 51 3.710 3.940 -0.081 372 HD12 LEU 51 HD12 LEU 51 3.794 3.465 1.599 373 HD13 LEU 51 HD13 LEU 51 4.960 2.831 0.444 374 HD21 LEU 51 HD21 LEU 51 5.763 4.112 2.992 375 HD22 LEU 51 HD22 LEU 51 6.847 5.374 2.503 376 HD23 LEU 51 HD23 LEU 51 7.026 3.751 1.827 377 H THR 52 H THR 52 9.512 6.371 -0.928 378 HA THR 52 HA THR 52 9.177 8.149 -3.163 379 HB THR 52 HB THR 52 11.255 8.259 -1.844 380 HG1 THR 52 HG1 THR 52 12.735 7.878 -3.581 381 HG21 THR 52 HG21 THR 52 12.857 6.376 -1.845 382 HG22 THR 52 HG22 THR 52 11.722 5.373 -2.730 383 HG23 THR 52 HG23 THR 52 11.350 5.883 -1.083 384 H GLU 53 H GLU 53 10.547 7.314 -5.059 385 HA GLU 53 HA GLU 53 8.778 5.616 -6.474 386 HB2 GLU 53 HB3 GLU 53 11.606 6.474 -7.215 387 HB3 GLU 53 HB2 GLU 53 10.450 5.730 -8.332 388 HG2 GLU 53 HG3 GLU 53 8.882 7.666 -7.963 389 HG3 GLU 53 HG2 GLU 53 10.068 8.414 -6.890 390 H HIS 54 H HIS 54 12.191 5.029 -5.681 391 HA HIS 54 HA HIS 54 12.305 2.388 -6.523 392 HB2 HIS 54 HB3 HIS 54 14.322 3.679 -5.805 393 HB3 HIS 54 HB2 HIS 54 13.827 3.534 -4.122 394 HD2 HIS 54 HD2 HIS 54 14.539 1.105 -2.914 395 HE1 HIS 54 HE1 HIS 54 15.904 -0.860 -6.394 396 HE2 HIS 54 HE2 HIS 54 15.687 -1.039 -3.870 397 H GLU 55 H GLU 55 11.620 3.421 -3.080 398 HA GLU 55 HA GLU 55 11.010 0.878 -2.095 399 HB2 GLU 55 HB3 GLU 55 9.887 3.615 -1.329 400 HB3 GLU 55 HB2 GLU 55 9.736 2.160 -0.335 401 HG2 GLU 55 HG3 GLU 55 12.225 2.015 -0.169 402 HG3 GLU 55 HG2 GLU 55 12.383 3.460 -1.169 403 H HIS 56 H HIS 56 8.776 3.353 -3.455 404 HA HIS 56 HA HIS 56 6.403 1.851 -3.226 405 HB2 HIS 56 HB3 HIS 56 6.415 4.287 -3.666 406 HB3 HIS 56 HB2 HIS 56 7.141 4.013 -5.246 407 HD2 HIS 56 HD2 HIS 56 3.670 3.363 -3.470 408 HE1 HIS 56 HE1 HIS 56 3.211 2.871 -7.640 409 HE2 HIS 56 HE2 HIS 56 1.984 2.900 -5.399 410 H GLN 57 H GLN 57 8.548 2.178 -6.154 411 HA GLN 57 HA GLN 57 7.034 0.415 -7.768 412 HB2 GLN 57 HB3 GLN 57 9.767 1.666 -7.883 413 HB3 GLN 57 HB2 GLN 57 9.530 0.281 -8.928 414 HG2 GLN 57 HG3 GLN 57 9.018 2.508 -10.017 415 HG3 GLN 57 HG2 GLN 57 7.706 1.356 -10.096 416 HE21 GLN 57 HE21 GLN 57 8.497 3.383 -7.296 417 HE22 GLN 57 HE22 GLN 57 7.063 4.257 -7.290 418 H GLN 58 H GLN 58 9.630 -0.204 -5.435 419 HA GLN 58 HA GLN 58 10.167 -2.920 -6.176 420 HB2 GLN 58 HB3 GLN 58 10.568 -1.230 -3.671 421 HB3 GLN 58 HB2 GLN 58 10.904 -2.955 -3.565 422 HG2 GLN 58 HG3 GLN 58 12.201 -1.147 -5.693 423 HG3 GLN 58 HG2 GLN 58 12.948 -1.489 -4.135 424 HE21 GLN 58 HE21 GLN 58 13.122 -2.483 -7.285 425 HE22 GLN 58 HE22 GLN 58 13.554 -4.108 -7.050 426 H MET 59 H MET 59 8.055 -1.614 -3.494 427 HA MET 59 HA MET 59 6.902 -4.102 -2.823 428 HB2 MET 59 HB3 MET 59 5.640 -1.325 -2.634 429 HB3 MET 59 HB2 MET 59 5.183 -2.744 -1.677 430 HG2 MET 59 HG3 MET 59 7.949 -1.491 -1.623 431 HG3 MET 59 HG2 MET 59 6.724 -1.129 -0.476 432 HE1 MET 59 HE1 MET 59 9.872 -2.874 -0.503 433 HE2 MET 59 HE2 MET 59 9.177 -3.707 -1.891 434 HE3 MET 59 HE3 MET 59 9.583 -4.618 -0.431 435 H ARG 60 H ARG 60 6.031 -1.651 -5.255 436 HA ARG 60 HA ARG 60 3.496 -2.735 -5.956 437 HB2 ARG 60 HB3 ARG 60 4.551 -0.546 -6.752 438 HB3 ARG 60 HB2 ARG 60 5.525 -1.493 -7.877 439 HG2 ARG 60 HG3 ARG 60 3.410 -2.399 -8.894 440 HG3 ARG 60 HG2 ARG 60 2.485 -1.373 -7.792 441 HD2 ARG 60 HD3 ARG 60 2.665 -0.302 -9.966 442 HD3 ARG 60 HD2 ARG 60 3.614 0.625 -8.787 443 HE ARG 60 HE ARG 60 5.281 -1.286 -10.075 444 HH11 ARG 60 HH21 ARG 60 3.565 1.687 -10.750 445 HH12 ARG 60 HH22 ARG 60 4.647 2.172 -12.013 446 HH21 ARG 60 HH11 ARG 60 6.671 -0.625 -11.737 447 HH22 ARG 60 HH12 ARG 60 6.394 0.869 -12.566 448 H ASP 61 H ASP 61 6.741 -3.419 -7.503 449 HA ASP 61 HA ASP 61 5.918 -5.385 -9.287 450 HB2 ASP 61 HB3 ASP 61 8.150 -4.288 -9.317 451 HB3 ASP 61 HB2 ASP 61 8.595 -5.128 -7.836 452 H ASP 62 H ASP 62 6.921 -5.667 -5.939 453 HA ASP 62 HA ASP 62 6.960 -8.502 -5.686 454 HB2 ASP 62 HB3 ASP 62 6.287 -6.399 -3.573 455 HB3 ASP 62 HB2 ASP 62 6.756 -8.065 -3.253 456 H LEU 63 H LEU 63 4.419 -6.039 -5.318 457 HA LEU 63 HA LEU 63 2.388 -7.728 -4.350 458 HB2 LEU 63 HB3 LEU 63 2.509 -5.020 -4.778 459 HB3 LEU 63 HB2 LEU 63 1.590 -5.430 -6.203 460 HG LEU 63 HG LEU 63 0.014 -4.906 -4.435 461 HD11 LEU 63 HD11 LEU 63 -0.096 -7.919 -4.578 462 HD12 LEU 63 HD12 LEU 63 -0.498 -6.895 -5.958 463 HD13 LEU 63 HD13 LEU 63 -1.424 -6.770 -4.466 464 HD21 LEU 63 HD21 LEU 63 1.850 -5.791 -2.546 465 HD22 LEU 63 HD22 LEU 63 0.702 -7.118 -2.534 466 HD23 LEU 63 HD23 LEU 63 0.150 -5.479 -2.215 467 H GLU 64 H GLU 64 3.111 -6.722 -7.773 468 HA GLU 64 HA GLU 64 1.054 -8.187 -9.009 469 HB2 GLU 64 HB3 GLU 64 2.568 -6.504 -10.102 470 HB3 GLU 64 HB2 GLU 64 3.887 -7.675 -10.058 471 HG2 GLU 64 HG3 GLU 64 2.547 -9.224 -11.501 472 HG3 GLU 64 HG2 GLU 64 1.234 -8.057 -11.530 473 H LYS 65 H LYS 65 4.378 -9.200 -8.169 474 HA LYS 65 HA LYS 65 4.341 -11.845 -9.167 475 HB2 LYS 65 HB3 LYS 65 5.815 -10.579 -6.807 476 HB3 LYS 65 HB2 LYS 65 6.131 -12.245 -7.313 477 HG2 LYS 65 HG3 LYS 65 6.767 -11.432 -9.582 478 HG3 LYS 65 HG2 LYS 65 6.459 -9.770 -9.086 479 HD2 LYS 65 HD3 LYS 65 8.246 -9.943 -7.341 480 HD3 LYS 65 HD2 LYS 65 8.546 -11.618 -7.820 481 HE2 LYS 65 HE3 LYS 65 8.898 -9.189 -9.642 482 HE3 LYS 65 HE2 LYS 65 10.208 -10.099 -8.878 483 HZ1 LYS 65 HZ1 LYS 65 10.110 -11.199 -10.834 484 HZ2 LYS 65 HZ2 LYS 65 8.469 -10.851 -11.098 485 HZ3 LYS 65 HZ3 LYS 65 8.916 -12.086 -10.019 486 H GLU 66 H GLU 66 3.362 -10.636 -5.954 487 HA GLU 66 HA GLU 66 2.556 -13.228 -4.912 488 HB2 GLU 66 HB3 GLU 66 1.985 -10.370 -4.014 489 HB3 GLU 66 HB2 GLU 66 1.478 -11.791 -3.097 490 HG2 GLU 66 HG3 GLU 66 3.853 -12.506 -2.871 491 HG3 GLU 66 HG2 GLU 66 4.383 -11.122 -3.805 492 H ARG 67 H ARG 67 0.877 -10.552 -6.634 493 HA ARG 67 HA ARG 67 -1.708 -11.186 -6.182 494 HB2 ARG 67 HB3 ARG 67 -0.756 -9.184 -7.482 495 HB3 ARG 67 HB2 ARG 67 -0.618 -10.237 -8.884 496 HG2 ARG 67 HG3 ARG 67 -3.082 -10.706 -8.712 497 HG3 ARG 67 HG2 ARG 67 -3.166 -9.565 -7.377 498 HD2 ARG 67 HD3 ARG 67 -2.275 -8.875 -10.211 499 HD3 ARG 67 HD2 ARG 67 -3.866 -8.508 -9.532 500 HE ARG 67 HE ARG 67 -1.935 -7.430 -7.788 501 HH11 ARG 67 HH21 ARG 67 -3.067 -6.985 -11.060 502 HH12 ARG 67 HH22 ARG 67 -2.674 -5.298 -11.100 503 HH21 ARG 67 HH11 ARG 67 -1.430 -5.239 -7.861 504 HH22 ARG 67 HH12 ARG 67 -1.748 -4.315 -9.290 505 H GLU 68 H GLU 68 0.504 -12.550 -8.621 506 HA GLU 68 HA GLU 68 -1.356 -14.196 -10.023 507 HB2 GLU 68 HB3 GLU 68 1.617 -14.657 -9.477 508 HB3 GLU 68 HB2 GLU 68 0.672 -15.515 -10.701 509 HG2 GLU 68 HG3 GLU 68 0.198 -13.342 -11.847 510 HG3 GLU 68 HG2 GLU 68 1.148 -12.499 -10.632 511 H ASP 69 H ASP 69 1.069 -15.338 -7.638 512 HA ASP 69 HA ASP 69 0.006 -17.862 -7.165 513 HB2 ASP 69 HB3 ASP 69 2.233 -17.106 -6.306 514 HB3 ASP 69 HB2 ASP 69 1.425 -16.097 -5.111 515 H LEU 70 H LEU 70 -0.899 -14.767 -5.649 516 HA LEU 70 HA LEU 70 -2.567 -15.752 -3.618 517 HB2 LEU 70 HB3 LEU 70 -1.812 -13.383 -3.714 518 HB3 LEU 70 HB2 LEU 70 -2.790 -13.144 -5.153 519 HG LEU 70 HG LEU 70 -4.892 -13.572 -3.796 520 HD11 LEU 70 HD11 LEU 70 -2.889 -13.994 -1.532 521 HD12 LEU 70 HD12 LEU 70 -4.246 -15.009 -2.019 522 HD13 LEU 70 HD13 LEU 70 -4.550 -13.491 -1.202 523 HD21 LEU 70 HD21 LEU 70 -3.094 -11.414 -2.624 524 HD22 LEU 70 HD22 LEU 70 -4.855 -11.467 -2.513 525 HD23 LEU 70 HD23 LEU 70 -4.079 -11.253 -4.082 526 H ASP 71 H ASP 71 -3.284 -14.903 -6.977 527 HA ASP 71 HA ASP 71 -6.106 -15.183 -6.908 528 HB2 ASP 71 HB3 ASP 71 -4.210 -15.709 -9.249 529 HB3 ASP 71 HB2 ASP 71 -5.947 -15.453 -9.384 530 H LEU 72 H LEU 72 -3.587 -17.559 -7.854 531 HA LEU 72 HA LEU 72 -5.374 -19.776 -8.234 532 HB2 LEU 72 HB3 LEU 72 -2.374 -19.458 -7.815 533 HB3 LEU 72 HB2 LEU 72 -3.072 -21.080 -7.841 534 HG LEU 72 HG LEU 72 -3.995 -20.625 -10.144 535 HD11 LEU 72 HD11 LEU 72 -2.586 -17.947 -9.820 536 HD12 LEU 72 HD12 LEU 72 -4.296 -18.233 -10.130 537 HD13 LEU 72 HD13 LEU 72 -3.114 -18.577 -11.378 538 HD21 LEU 72 HD21 LEU 72 -1.818 -20.684 -11.345 539 HD22 LEU 72 HD22 LEU 72 -1.756 -21.690 -9.902 540 HD23 LEU 72 HD23 LEU 72 -0.993 -20.098 -9.896 541 H ASP 73 H ASP 73 -3.454 -18.648 -5.417 542 HA ASP 73 HA ASP 73 -4.145 -20.845 -3.697 543 HB2 ASP 73 HB3 ASP 73 -2.178 -19.338 -3.317 544 HB3 ASP 73 HB2 ASP 73 -3.269 -18.013 -2.943 545 H HIS 74 H HIS 74 -6.383 -21.126 -3.845 546 HA HIS 74 HA HIS 74 -8.326 -19.039 -3.374 547 HB2 HIS 74 HB3 HIS 74 -8.610 -22.089 -3.236 548 HB3 HIS 74 HB2 HIS 74 -9.943 -20.933 -3.316 549 HD2 HIS 74 HD2 HIS 74 -7.685 -22.872 -5.744 550 HE1 HIS 74 HE1 HIS 74 -9.413 -19.748 -8.000 551 HE2 HIS 74 HE2 HIS 74 -8.081 -21.905 -8.139 552 H SER 75 H SER 75 -6.298 -20.969 -1.388 553 HA SER 75 HA SER 75 -6.132 -21.346 0.860 554 HB2 SER 75 HB3 SER 75 -6.462 -19.389 2.276 555 HB3 SER 75 HB2 SER 75 -5.873 -18.833 0.712 556 HG SER 75 HG SER 75 -7.910 -18.190 0.182 557 H SER 76 H SER 76 -8.650 -22.116 -0.594 558 HA SER 76 HA SER 76 -10.901 -21.939 1.164 559 HB2 SER 76 HB3 SER 76 -11.895 -23.644 -0.303 560 HB3 SER 76 HB2 SER 76 -11.023 -22.475 -1.297 561 HG SER 76 HG SER 76 -9.653 -24.720 -0.325 562 H LEU 77 H LEU 77 -7.988 -23.610 1.444 563 HA LEU 77 HA LEU 77 -8.819 -26.114 2.474 564 HB2 LEU 77 HB3 LEU 77 -6.239 -24.509 2.527 565 HB3 LEU 77 HB2 LEU 77 -6.347 -25.880 3.634 566 HG LEU 77 HG LEU 77 -6.867 -27.388 1.672 567 HD11 LEU 77 HD11 LEU 77 -6.443 -26.462 -0.658 568 HD12 LEU 77 HD12 LEU 77 -6.473 -24.842 0.044 569 HD13 LEU 77 HD13 LEU 77 -7.904 -25.869 0.122 570 HD21 LEU 77 HD21 LEU 77 -4.590 -27.397 0.696 571 HD22 LEU 77 HD22 LEU 77 -4.520 -27.144 2.437 572 HD23 LEU 77 HD23 LEU 77 -4.294 -25.779 1.339 573 HA PRO 78 HA PRO 78 -10.158 -24.947 6.618 574 HB2 PRO 78 HB3 PRO 78 -9.709 -27.222 8.112 575 HB3 PRO 78 HB2 PRO 78 -10.917 -27.197 6.797 576 HG2 PRO 78 HG3 PRO 78 -8.033 -28.131 6.659 577 HG3 PRO 78 HG2 PRO 78 -9.502 -29.005 6.155 578 HD2 PRO 78 HD2 PRO 78 -8.039 -27.647 4.314 579 HD3 PRO 78 HD3 PRO 78 -9.814 -27.630 4.230 Start of MODEL 11 1 H1 ASN 1 1H ASN 1 -17.829 -6.559 -9.573 2 H2 ASN 1 2H ASN 1 -16.701 -7.780 -9.225 3 H3 ASN 1 3H ASN 1 -16.710 -7.037 -10.753 4 HA ASN 1 HA ASN 1 -16.269 -4.874 -9.492 5 HB2 ASN 1 HB3 ASN 1 -15.384 -6.975 -7.457 6 HB3 ASN 1 HB2 ASN 1 -15.060 -5.243 -7.336 7 HD21 ASN 1 HD21 ASN 1 -17.025 -7.464 -5.975 8 HD22 ASN 1 HD22 ASN 1 -18.422 -6.534 -5.730 9 H THR 2 H THR 2 -15.372 -7.219 -11.344 10 HA THR 2 HA THR 2 -12.575 -7.567 -11.089 11 HB THR 2 HB THR 2 -14.187 -7.602 -13.689 12 HG1 THR 2 HG1 THR 2 -15.248 -9.024 -12.554 13 HG21 THR 2 HG21 THR 2 -11.669 -9.112 -12.843 14 HG22 THR 2 HG22 THR 2 -11.713 -7.781 -13.998 15 HG23 THR 2 HG23 THR 2 -12.510 -9.307 -14.380 16 H VAL 3 H VAL 3 -14.480 -5.207 -12.979 17 HA VAL 3 HA VAL 3 -12.317 -3.864 -14.220 18 HB VAL 3 HB VAL 3 -15.058 -2.749 -13.450 19 HG11 VAL 3 HG11 VAL 3 -14.691 -1.190 -15.390 20 HG12 VAL 3 HG12 VAL 3 -13.061 -1.832 -15.579 21 HG13 VAL 3 HG13 VAL 3 -13.492 -0.935 -14.125 22 HG21 VAL 3 HG21 VAL 3 -14.158 -4.179 -16.002 23 HG22 VAL 3 HG22 VAL 3 -15.738 -3.435 -15.762 24 HG23 VAL 3 HG23 VAL 3 -15.269 -4.831 -14.794 25 H ASP 4 H ASP 4 -14.092 -3.193 -11.186 26 HA ASP 4 HA ASP 4 -12.495 -0.897 -10.467 27 HB2 ASP 4 HB3 ASP 4 -14.837 -1.243 -9.667 28 HB3 ASP 4 HB2 ASP 4 -14.311 -2.633 -8.727 29 H ASP 5 H ASP 5 -10.365 -1.806 -10.759 30 HA ASP 5 HA ASP 5 -9.369 -3.985 -9.138 31 HB2 ASP 5 HB3 ASP 5 -7.138 -3.217 -10.000 32 HB3 ASP 5 HB2 ASP 5 -8.314 -3.451 -11.292 33 H ILE 6 H ILE 6 -9.333 -3.731 -6.947 34 HA ILE 6 HA ILE 6 -9.168 -1.218 -5.578 35 HB ILE 6 HB ILE 6 -8.950 -2.676 -3.539 36 HG12 ILE 6 HG13 ILE 6 -9.026 -5.040 -5.505 37 HG13 ILE 6 HG12 ILE 6 -7.553 -4.515 -4.706 38 HG21 ILE 6 HG21 ILE 6 -11.093 -3.592 -5.525 39 HG22 ILE 6 HG22 ILE 6 -11.210 -2.171 -4.484 40 HG23 ILE 6 HG23 ILE 6 -11.180 -3.782 -3.775 41 HD11 ILE 6 HD11 ILE 6 -10.053 -5.515 -3.305 42 HD12 ILE 6 HD12 ILE 6 -8.587 -4.950 -2.503 43 HD13 ILE 6 HD13 ILE 6 -8.538 -6.397 -3.505 44 H SER 7 H SER 7 -6.837 -3.394 -6.896 45 HA SER 7 HA SER 7 -4.573 -2.836 -5.280 46 HB2 SER 7 HB3 SER 7 -4.730 -3.649 -8.209 47 HB3 SER 7 HB2 SER 7 -3.267 -3.708 -7.224 48 HG SER 7 HG SER 7 -4.469 -5.706 -7.359 49 H GLU 8 H GLU 8 -6.352 -0.734 -7.208 50 HA GLU 8 HA GLU 8 -4.290 0.856 -8.411 51 HB2 GLU 8 HB3 GLU 8 -6.704 0.828 -9.129 52 HB3 GLU 8 HB2 GLU 8 -7.137 1.665 -7.643 53 HG2 GLU 8 HG3 GLU 8 -5.680 3.588 -8.306 54 HG3 GLU 8 HG2 GLU 8 -5.229 2.742 -9.780 55 H SER 9 H SER 9 -6.077 0.983 -5.326 56 HA SER 9 HA SER 9 -5.103 3.461 -4.366 57 HB2 SER 9 HB3 SER 9 -6.011 1.010 -2.814 58 HB3 SER 9 HB2 SER 9 -5.794 2.618 -2.117 59 HG SER 9 HG SER 9 -7.636 3.165 -2.936 60 H LEU 10 H LEU 10 -3.855 0.150 -3.981 61 HA LEU 10 HA LEU 10 -1.723 0.717 -2.198 62 HB2 LEU 10 HB3 LEU 10 -2.237 -1.472 -4.238 63 HB3 LEU 10 HB2 LEU 10 -0.747 -1.463 -3.291 64 HG LEU 10 HG LEU 10 -2.073 -1.567 -1.189 65 HD11 LEU 10 HD11 LEU 10 -4.480 -1.540 -3.058 66 HD12 LEU 10 HD12 LEU 10 -4.098 -0.442 -1.739 67 HD13 LEU 10 HD13 LEU 10 -4.582 -2.085 -1.379 68 HD21 LEU 10 HD21 LEU 10 -2.910 -3.908 -1.454 69 HD22 LEU 10 HD22 LEU 10 -1.362 -3.695 -2.266 70 HD23 LEU 10 HD23 LEU 10 -2.853 -3.726 -3.207 71 H ARG 11 H ARG 11 -1.868 0.606 -5.792 72 HA ARG 11 HA ARG 11 0.930 1.146 -6.139 73 HB2 ARG 11 HB3 ARG 11 -0.545 0.064 -7.866 74 HB3 ARG 11 HB2 ARG 11 -1.333 1.616 -8.131 75 HG2 ARG 11 HG3 ARG 11 0.893 2.613 -8.787 76 HG3 ARG 11 HG2 ARG 11 1.646 1.036 -8.546 77 HD2 ARG 11 HD3 ARG 11 -0.563 1.626 -10.560 78 HD3 ARG 11 HD2 ARG 11 1.152 1.451 -10.950 79 HE ARG 11 HE ARG 11 0.334 -0.847 -9.528 80 HH11 ARG 11 HH21 ARG 11 -0.204 0.721 -12.583 81 HH12 ARG 11 HH22 ARG 11 -0.551 -0.750 -13.427 82 HH21 ARG 11 HH11 ARG 11 -0.124 -2.761 -10.634 83 HH22 ARG 11 HH12 ARG 11 -0.506 -2.721 -12.323 84 H GLN 12 H GLN 12 -1.990 3.154 -6.602 85 HA GLN 12 HA GLN 12 -2.349 5.401 -6.642 86 HB2 GLN 12 HB3 GLN 12 -1.697 5.044 -4.217 87 HB3 GLN 12 HB2 GLN 12 -0.068 5.538 -4.622 88 HG2 GLN 12 HG3 GLN 12 -1.184 7.540 -3.767 89 HG3 GLN 12 HG2 GLN 12 -1.080 7.768 -5.498 90 HE21 GLN 12 HE21 GLN 12 -3.340 6.254 -3.126 91 HE22 GLN 12 HE22 GLN 12 -4.748 6.848 -3.864 92 H GLY 13 H GLY 13 1.164 5.530 -6.086 93 HA2 GLY 13 HA3 GLY 13 2.928 6.198 -7.396 94 HA3 GLY 13 HA2 GLY 13 1.866 6.262 -8.800 95 H GLY 14 H GLY 14 0.784 7.895 -5.997 96 HA2 GLY 14 HA3 GLY 14 0.888 10.510 -7.260 97 HA3 GLY 14 HA2 GLY 14 0.218 10.112 -5.683 98 H GLY 15 H GLY 15 3.086 8.689 -5.425 99 HA2 GLY 15 HA3 GLY 15 5.219 9.262 -4.715 100 HA3 GLY 15 HA2 GLY 15 4.876 10.961 -5.018 101 H LYS 16 H LYS 16 3.181 11.906 -3.487 102 HA LYS 16 HA LYS 16 4.103 11.565 -0.760 103 HB2 LYS 16 HB3 LYS 16 1.714 13.142 -1.801 104 HB3 LYS 16 HB2 LYS 16 2.468 13.316 -0.204 105 HG2 LYS 16 HG3 LYS 16 4.667 13.913 -1.462 106 HG3 LYS 16 HG2 LYS 16 3.693 13.997 -2.930 107 HD2 LYS 16 HD3 LYS 16 3.364 15.717 -0.419 108 HD3 LYS 16 HD2 LYS 16 3.939 16.259 -1.991 109 HE2 LYS 16 HE3 LYS 16 1.618 15.495 -2.916 110 HE3 LYS 16 HE2 LYS 16 1.113 15.426 -1.223 111 HZ1 LYS 16 HZ1 LYS 16 2.022 17.764 -2.792 112 HZ2 LYS 16 HZ2 LYS 16 2.066 17.775 -1.094 113 HZ3 LYS 16 HZ3 LYS 16 0.587 17.574 -1.907 114 H LEU 17 H LEU 17 3.493 9.831 0.308 115 HA LEU 17 HA LEU 17 0.623 9.137 0.573 116 HB2 LEU 17 HB3 LEU 17 1.738 7.749 -1.288 117 HB3 LEU 17 HB2 LEU 17 2.713 7.014 -0.036 118 HG LEU 17 HG LEU 17 0.197 6.704 1.099 119 HD11 LEU 17 HD11 LEU 17 -0.333 6.353 -1.840 120 HD12 LEU 17 HD12 LEU 17 -0.905 7.715 -0.875 121 HD13 LEU 17 HD13 LEU 17 -1.459 6.094 -0.519 122 HD21 LEU 17 HD21 LEU 17 0.240 4.324 0.232 123 HD22 LEU 17 HD22 LEU 17 1.765 4.862 0.910 124 HD23 LEU 17 HD23 LEU 17 1.555 4.789 -0.840 125 H ASN 18 H ASN 18 0.164 8.747 2.637 126 HA ASN 18 HA ASN 18 2.233 7.775 4.549 127 HB2 ASN 18 HB3 ASN 18 0.443 9.829 5.797 128 HB3 ASN 18 HB2 ASN 18 2.196 9.728 5.858 129 HD21 ASN 18 HD21 ASN 18 -0.157 11.821 4.992 130 HD22 ASN 18 HD22 ASN 18 0.603 12.615 3.714 131 H PHE 19 H PHE 19 1.362 6.612 6.229 132 HA PHE 19 HA PHE 19 -0.534 4.825 6.109 133 HB2 PHE 19 HB3 PHE 19 -0.878 4.930 8.575 134 HB3 PHE 19 HB2 PHE 19 0.823 5.093 8.121 135 HD1 PHE 19 HD1 PHE 19 1.934 7.363 8.061 136 HD2 PHE 19 HD2 PHE 19 -2.088 6.872 9.579 137 HE1 PHE 19 HE1 PHE 19 2.042 9.616 9.099 138 HE2 PHE 19 HE2 PHE 19 -1.959 9.129 10.616 139 HZ PHE 19 HZ PHE 19 0.100 10.497 10.371 140 H ASP 20 H ASP 20 -1.314 8.221 6.689 141 HA ASP 20 HA ASP 20 -4.148 7.815 7.179 142 HB2 ASP 20 HB3 ASP 20 -2.798 9.739 8.042 143 HB3 ASP 20 HB2 ASP 20 -2.620 10.339 6.401 144 H GLU 21 H GLU 21 -2.244 8.992 4.403 145 HA GLU 21 HA GLU 21 -4.391 9.601 2.703 146 HB2 GLU 21 HB3 GLU 21 -1.642 8.634 1.807 147 HB3 GLU 21 HB2 GLU 21 -2.803 9.530 0.816 148 HG2 GLU 21 HG3 GLU 21 -2.670 11.428 2.521 149 HG3 GLU 21 HG2 GLU 21 -1.376 10.538 3.326 150 H LEU 22 H LEU 22 -2.636 6.609 2.994 151 HA LEU 22 HA LEU 22 -4.211 5.235 0.923 152 HB2 LEU 22 HB3 LEU 22 -2.977 3.210 1.717 153 HB3 LEU 22 HB2 LEU 22 -1.959 4.533 1.234 154 HG LEU 22 HG LEU 22 -2.197 5.068 3.996 155 HD11 LEU 22 HD11 LEU 22 -2.038 3.102 5.250 156 HD12 LEU 22 HD12 LEU 22 -1.843 2.085 3.811 157 HD13 LEU 22 HD13 LEU 22 -3.372 2.811 4.184 158 HD21 LEU 22 HD21 LEU 22 0.166 4.140 4.132 159 HD22 LEU 22 HD22 LEU 22 -0.089 5.195 2.812 160 HD23 LEU 22 HD23 LEU 22 -0.043 3.466 2.541 161 H ARG 23 H ARG 23 -4.047 5.080 4.511 162 HA ARG 23 HA ARG 23 -5.997 3.095 4.861 163 HB2 ARG 23 HB3 ARG 23 -4.570 3.801 6.678 164 HB3 ARG 23 HB2 ARG 23 -5.293 5.414 6.676 165 HG2 ARG 23 HG3 ARG 23 -7.423 4.592 7.503 166 HG3 ARG 23 HG2 ARG 23 -6.981 2.924 7.200 167 HD2 ARG 23 HD3 ARG 23 -6.822 3.429 9.584 168 HD3 ARG 23 HD2 ARG 23 -5.212 3.108 8.933 169 HE ARG 23 HE ARG 23 -5.748 5.890 8.761 170 HH11 ARG 23 HH21 ARG 23 -5.089 3.429 11.139 171 HH12 ARG 23 HH22 ARG 23 -4.381 4.535 12.267 172 HH21 ARG 23 HH11 ARG 23 -4.813 7.312 10.242 173 HH22 ARG 23 HH12 ARG 23 -4.226 6.725 11.762 174 H GLN 24 H GLN 24 -6.466 6.590 4.990 175 HA GLN 24 HA GLN 24 -9.196 6.663 5.507 176 HB2 GLN 24 HB3 GLN 24 -7.409 8.534 3.902 177 HB3 GLN 24 HB2 GLN 24 -9.028 8.982 4.443 178 HG2 GLN 24 HG3 GLN 24 -6.990 7.922 6.446 179 HG3 GLN 24 HG2 GLN 24 -6.959 9.623 5.975 180 HE21 GLN 24 HE21 GLN 24 -8.154 7.620 8.338 181 HE22 GLN 24 HE22 GLN 24 -9.515 8.518 8.810 182 H ASP 25 H ASP 25 -7.499 6.174 2.422 183 HA ASP 25 HA ASP 25 -9.841 6.438 0.793 184 HB2 ASP 25 HB3 ASP 25 -7.492 6.882 0.001 185 HB3 ASP 25 HB2 ASP 25 -7.106 5.180 0.226 186 H LEU 26 H LEU 26 -7.766 3.854 2.120 187 HA LEU 26 HA LEU 26 -9.193 1.668 0.942 188 HB2 LEU 26 HB3 LEU 26 -7.388 1.704 3.368 189 HB3 LEU 26 HB2 LEU 26 -8.004 0.227 2.654 190 HG LEU 26 HG LEU 26 -6.436 2.180 0.898 191 HD11 LEU 26 HD11 LEU 26 -4.345 0.923 1.405 192 HD12 LEU 26 HD12 LEU 26 -5.211 -0.003 2.637 193 HD13 LEU 26 HD13 LEU 26 -4.983 1.725 2.830 194 HD21 LEU 26 HD21 LEU 26 -6.706 -0.855 0.764 195 HD22 LEU 26 HD22 LEU 26 -5.965 0.193 -0.428 196 HD23 LEU 26 HD23 LEU 26 -7.685 0.258 -0.177 197 H LYS 27 H LYS 27 -9.678 3.381 3.960 198 HA LYS 27 HA LYS 27 -11.387 1.555 5.260 199 HB2 LYS 27 HB3 LYS 27 -10.458 3.786 6.044 200 HB3 LYS 27 HB2 LYS 27 -11.741 4.580 5.136 201 HG2 LYS 27 HG3 LYS 27 -13.415 3.138 6.510 202 HG3 LYS 27 HG2 LYS 27 -12.046 2.676 7.519 203 HD2 LYS 27 HD3 LYS 27 -13.128 5.508 7.095 204 HD3 LYS 27 HD2 LYS 27 -13.234 4.555 8.573 205 HE2 LYS 27 HE3 LYS 27 -10.721 5.816 7.331 206 HE3 LYS 27 HE2 LYS 27 -11.390 6.088 8.945 207 HZ1 LYS 27 HZ1 LYS 27 -10.084 3.626 7.932 208 HZ2 LYS 27 HZ2 LYS 27 -10.938 3.685 9.397 209 HZ3 LYS 27 HZ3 LYS 27 -9.551 4.642 9.180 210 H GLY 28 H GLY 28 -12.121 4.054 2.847 211 HA2 GLY 28 HA3 GLY 28 -14.916 3.697 2.588 212 HA3 GLY 28 HA2 GLY 28 -13.857 4.381 1.360 213 H LYS 29 H LYS 29 -12.191 2.047 1.022 214 HA LYS 29 HA LYS 29 -13.731 0.585 -0.923 215 HB2 LYS 29 HB3 LYS 29 -10.994 -0.111 0.244 216 HB3 LYS 29 HB2 LYS 29 -11.663 -0.674 -1.281 217 HG2 LYS 29 HG3 LYS 29 -11.054 2.239 -0.700 218 HG3 LYS 29 HG2 LYS 29 -9.955 1.167 -1.544 219 HD2 LYS 29 HD3 LYS 29 -11.684 0.804 -3.307 220 HD3 LYS 29 HD2 LYS 29 -12.768 1.906 -2.476 221 HE2 LYS 29 HE3 LYS 29 -11.190 3.766 -2.799 222 HE3 LYS 29 HE2 LYS 29 -10.061 2.673 -3.615 223 HZ1 LYS 29 HZ1 LYS 29 -11.791 4.046 -4.977 224 HZ2 LYS 29 HZ2 LYS 29 -12.841 2.782 -4.541 225 HZ3 LYS 29 HZ3 LYS 29 -11.423 2.448 -5.414 226 H GLY 30 H GLY 30 -13.808 0.367 2.285 227 HA2 GLY 30 HA3 GLY 30 -14.838 -1.084 3.738 228 HA3 GLY 30 HA2 GLY 30 -15.312 -2.058 2.352 229 H HIS 31 H HIS 31 -11.852 -1.374 2.774 230 HA HIS 31 HA HIS 31 -11.234 -4.150 2.947 231 HB2 HIS 31 HB3 HIS 31 -9.627 -1.584 3.266 232 HB3 HIS 31 HB2 HIS 31 -8.886 -3.175 3.440 233 HD2 HIS 31 HD2 HIS 31 -7.479 -3.182 1.020 234 HE1 HIS 31 HE1 HIS 31 -10.898 -2.903 -1.428 235 HE2 HIS 31 HE2 HIS 31 -8.374 -3.278 -1.432 236 H THR 32 H THR 32 -9.901 -5.059 4.679 237 HA THR 32 HA THR 32 -11.263 -4.608 7.278 238 HB THR 32 HB THR 32 -10.458 -6.835 7.857 239 HG1 THR 32 HG1 THR 32 -9.082 -7.910 6.497 240 HG21 THR 32 HG21 THR 32 -12.485 -6.691 6.359 241 HG22 THR 32 HG22 THR 32 -11.558 -8.169 6.094 242 HG23 THR 32 HG23 THR 32 -11.422 -6.833 4.956 243 H ASP 33 H ASP 33 -9.992 -4.715 9.245 244 HA ASP 33 HA ASP 33 -7.906 -2.814 9.281 245 HB2 ASP 33 HB3 ASP 33 -7.643 -3.519 11.669 246 HB3 ASP 33 HB2 ASP 33 -9.333 -3.256 11.238 247 H ALA 34 H ALA 34 -7.875 -6.383 9.303 248 HA ALA 34 HA ALA 34 -5.109 -6.757 9.750 249 HB1 ALA 34 HB1 ALA 34 -5.454 -8.993 8.720 250 HB2 ALA 34 HB2 ALA 34 -7.022 -8.461 8.105 251 HB3 ALA 34 HB3 ALA 34 -6.760 -8.597 9.841 252 H GLU 35 H GLU 35 -6.921 -6.517 6.557 253 HA GLU 35 HA GLU 35 -4.616 -6.673 4.970 254 HB2 GLU 35 HB3 GLU 35 -7.336 -5.394 4.477 255 HB3 GLU 35 HB2 GLU 35 -6.141 -5.659 3.203 256 HG2 GLU 35 HG3 GLU 35 -6.225 -8.103 3.612 257 HG3 GLU 35 HG2 GLU 35 -7.370 -7.864 4.916 258 H ILE 36 H ILE 36 -6.391 -3.904 6.202 259 HA ILE 36 HA ILE 36 -4.984 -1.879 4.833 260 HB ILE 36 HB ILE 36 -6.445 -1.830 7.488 261 HG12 ILE 36 HG13 ILE 36 -7.273 -0.623 4.806 262 HG13 ILE 36 HG12 ILE 36 -7.692 -2.246 5.261 263 HG21 ILE 36 HG21 ILE 36 -5.347 0.590 5.953 264 HG22 ILE 36 HG22 ILE 36 -4.880 0.105 7.591 265 HG23 ILE 36 HG23 ILE 36 -6.492 0.677 7.283 266 HD11 ILE 36 HD11 ILE 36 -9.515 -0.617 5.713 267 HD12 ILE 36 HD12 ILE 36 -8.468 0.201 6.870 268 HD13 ILE 36 HD13 ILE 36 -8.969 -1.476 7.157 269 H GLU 37 H GLU 37 -4.498 -3.079 8.192 270 HA GLU 37 HA GLU 37 -2.377 -1.488 8.855 271 HB2 GLU 37 HB3 GLU 37 -2.019 -2.841 10.762 272 HB3 GLU 37 HB2 GLU 37 -3.744 -2.810 10.433 273 HG2 GLU 37 HG3 GLU 37 -3.448 -5.045 9.291 274 HG3 GLU 37 HG2 GLU 37 -1.807 -5.110 9.866 275 H ALA 38 H ALA 38 -2.418 -4.683 7.406 276 HA ALA 38 HA ALA 38 0.373 -5.212 7.447 277 HB1 ALA 38 HB1 ALA 38 -1.393 -6.929 7.168 278 HB2 ALA 38 HB2 ALA 38 -0.259 -6.983 5.813 279 HB3 ALA 38 HB3 ALA 38 -1.845 -6.226 5.616 280 H ILE 39 H ILE 39 -1.800 -3.883 4.941 281 HA ILE 39 HA ILE 39 0.086 -3.766 2.834 282 HB ILE 39 HB ILE 39 -2.609 -2.547 3.386 283 HG12 ILE 39 HG13 ILE 39 -3.012 -3.137 0.927 284 HG13 ILE 39 HG12 ILE 39 -1.351 -3.706 0.848 285 HG21 ILE 39 HG21 ILE 39 -1.679 -0.353 2.859 286 HG22 ILE 39 HG22 ILE 39 -2.595 -0.888 1.455 287 HG23 ILE 39 HG23 ILE 39 -0.842 -0.991 1.445 288 HD11 ILE 39 HD11 ILE 39 -2.075 -5.212 2.923 289 HD12 ILE 39 HD12 ILE 39 -2.552 -5.670 1.288 290 HD13 ILE 39 HD13 ILE 39 -3.699 -4.844 2.331 291 H PHE 40 H PHE 40 -0.769 -1.153 5.112 292 HA PHE 40 HA PHE 40 1.065 0.717 3.968 293 HB2 PHE 40 HB3 PHE 40 0.158 2.217 5.455 294 HB3 PHE 40 HB2 PHE 40 -1.046 0.965 5.657 295 HD1 PHE 40 HD1 PHE 40 -1.037 -0.445 7.602 296 HD2 PHE 40 HD2 PHE 40 1.840 2.671 7.230 297 HE1 PHE 40 HE1 PHE 40 -0.448 -0.767 9.988 298 HE2 PHE 40 HE2 PHE 40 2.405 2.392 9.613 299 HZ PHE 40 HZ PHE 40 1.301 0.673 11.002 300 H THR 41 H THR 41 1.188 -1.517 6.661 301 HA THR 41 HA THR 41 3.571 -0.703 7.844 302 HB THR 41 HB THR 41 2.115 -3.354 7.678 303 HG1 THR 41 HG1 THR 41 1.244 -2.674 9.479 304 HG21 THR 41 HG21 THR 41 3.519 -3.937 9.739 305 HG22 THR 41 HG22 THR 41 4.643 -2.695 9.215 306 HG23 THR 41 HG23 THR 41 4.327 -4.095 8.187 307 H LYS 42 H LYS 42 3.036 -3.080 5.255 308 HA LYS 42 HA LYS 42 5.759 -3.869 5.104 309 HB2 LYS 42 HB3 LYS 42 3.759 -5.148 4.252 310 HB3 LYS 42 HB2 LYS 42 3.599 -3.983 2.940 311 HG2 LYS 42 HG3 LYS 42 5.901 -4.555 2.158 312 HG3 LYS 42 HG2 LYS 42 6.064 -5.698 3.491 313 HD2 LYS 42 HD3 LYS 42 4.154 -7.021 2.578 314 HD3 LYS 42 HD2 LYS 42 4.015 -5.884 1.234 315 HE2 LYS 42 HE3 LYS 42 5.337 -7.897 0.562 316 HE3 LYS 42 HE2 LYS 42 6.344 -6.447 0.519 317 HZ1 LYS 42 HZ1 LYS 42 7.253 -8.513 1.700 318 HZ2 LYS 42 HZ2 LYS 42 6.182 -8.110 2.955 319 HZ3 LYS 42 HZ3 LYS 42 7.397 -7.019 2.489 320 H TYR 43 H TYR 43 3.802 -1.653 3.030 321 HA TYR 43 HA TYR 43 6.093 -0.858 1.467 322 HB2 TYR 43 HB3 TYR 43 3.452 0.653 1.706 323 HB3 TYR 43 HB2 TYR 43 4.568 0.647 0.342 324 HD1 TYR 43 HD1 TYR 43 5.132 -2.379 0.142 325 HD2 TYR 43 HD2 TYR 43 1.412 -0.252 0.659 326 HE1 TYR 43 HE1 TYR 43 3.962 -4.211 -0.967 327 HE2 TYR 43 HE2 TYR 43 0.237 -2.160 -0.428 328 HH TYR 43 HH TYR 43 1.313 -4.190 -2.280 329 H ASP 44 H ASP 44 4.564 0.540 4.356 330 HA ASP 44 HA ASP 44 6.522 2.775 4.327 331 HB2 ASP 44 HB3 ASP 44 4.196 2.501 6.293 332 HB3 ASP 44 HB2 ASP 44 4.990 3.948 5.679 333 H GLN 45 H GLN 45 8.376 2.131 5.315 334 HA GLN 45 HA GLN 45 8.621 -0.121 6.995 335 HB2 GLN 45 HB3 GLN 45 10.471 2.297 6.770 336 HB3 GLN 45 HB2 GLN 45 10.930 0.694 7.348 337 HG2 GLN 45 HG3 GLN 45 9.954 1.342 4.519 338 HG3 GLN 45 HG2 GLN 45 11.624 1.043 4.975 339 HE21 GLN 45 HE21 GLN 45 8.419 -0.530 4.698 340 HE22 GLN 45 HE22 GLN 45 9.031 -2.111 4.615 341 H ASP 46 H ASP 46 8.646 3.444 7.997 342 HA ASP 46 HA ASP 46 8.248 2.587 10.801 343 HB2 ASP 46 HB3 ASP 46 9.171 5.213 9.554 344 HB3 ASP 46 HB2 ASP 46 9.113 4.850 11.283 345 H GLY 47 H GLY 47 6.478 3.532 8.108 346 HA2 GLY 47 HA3 GLY 47 4.397 4.534 7.805 347 HA3 GLY 47 HA2 GLY 47 4.068 3.953 9.400 348 H ASP 48 H ASP 48 6.662 6.166 9.068 349 HA ASP 48 HA ASP 48 5.044 8.398 10.242 350 HB2 ASP 48 HB3 ASP 48 6.685 7.289 11.779 351 HB3 ASP 48 HB2 ASP 48 7.990 7.721 10.682 352 H GLN 49 H GLN 49 6.836 7.438 7.549 353 HA GLN 49 HA GLN 49 7.294 10.263 6.661 354 HB2 GLN 49 HB3 GLN 49 9.302 9.196 5.340 355 HB3 GLN 49 HB2 GLN 49 9.517 9.462 7.066 356 HG2 GLN 49 HG3 GLN 49 10.354 7.215 6.397 357 HG3 GLN 49 HG2 GLN 49 9.022 7.073 7.534 358 HE21 GLN 49 HE21 GLN 49 7.585 5.443 6.904 359 HE22 GLN 49 HE22 GLN 49 7.241 5.009 5.298 360 H GLU 50 H GLU 50 7.425 10.479 4.297 361 HA GLU 50 HA GLU 50 5.184 9.304 3.023 362 HB2 GLU 50 HB3 GLU 50 7.356 11.155 1.945 363 HB3 GLU 50 HB2 GLU 50 5.834 10.772 1.132 364 HG2 GLU 50 HG3 GLU 50 4.588 11.774 3.061 365 HG3 GLU 50 HG2 GLU 50 6.111 12.195 3.820 366 H LEU 51 H LEU 51 5.225 7.961 1.205 367 HA LEU 51 HA LEU 51 7.548 6.150 1.099 368 HB2 LEU 51 HB3 LEU 51 5.182 5.306 1.187 369 HB3 LEU 51 HB2 LEU 51 4.897 6.005 -0.395 370 HG LEU 51 HG LEU 51 6.744 4.523 -1.336 371 HD11 LEU 51 HD11 LEU 51 8.195 3.929 0.406 372 HD12 LEU 51 HD12 LEU 51 7.287 2.443 0.225 373 HD13 LEU 51 HD13 LEU 51 6.900 3.564 1.534 374 HD21 LEU 51 HD21 LEU 51 5.398 2.404 -1.247 375 HD22 LEU 51 HD22 LEU 51 4.423 3.831 -1.580 376 HD23 LEU 51 HD23 LEU 51 4.410 3.119 0.033 377 H THR 52 H THR 52 9.098 6.481 -0.303 378 HA THR 52 HA THR 52 8.923 8.268 -2.571 379 HB THR 52 HB THR 52 10.965 8.213 -1.195 380 HG1 THR 52 HG1 THR 52 12.263 8.305 -2.879 381 HG21 THR 52 HG21 THR 52 12.444 6.213 -1.188 382 HG22 THR 52 HG22 THR 52 11.236 5.310 -2.092 383 HG23 THR 52 HG23 THR 52 10.887 5.840 -0.448 384 H GLU 53 H GLU 53 10.160 7.451 -4.412 385 HA GLU 53 HA GLU 53 8.353 5.670 -5.740 386 HB2 GLU 53 HB3 GLU 53 9.378 6.419 -7.790 387 HB3 GLU 53 HB2 GLU 53 9.208 7.803 -6.724 388 HG2 GLU 53 HG3 GLU 53 11.658 7.444 -6.016 389 HG3 GLU 53 HG2 GLU 53 11.783 6.258 -7.317 390 H HIS 54 H HIS 54 11.858 5.674 -5.125 391 HA HIS 54 HA HIS 54 12.517 3.299 -6.404 392 HB2 HIS 54 HB3 HIS 54 14.188 4.852 -5.381 393 HB3 HIS 54 HB2 HIS 54 13.724 4.301 -3.776 394 HD2 HIS 54 HD2 HIS 54 15.184 2.094 -2.932 395 HE1 HIS 54 HE1 HIS 54 16.576 0.827 -6.710 396 HE2 HIS 54 HE2 HIS 54 16.671 0.372 -4.213 397 H GLU 55 H GLU 55 11.645 3.567 -2.868 398 HA GLU 55 HA GLU 55 11.487 0.831 -2.376 399 HB2 GLU 55 HB3 GLU 55 9.913 3.150 -1.191 400 HB3 GLU 55 HB2 GLU 55 10.008 1.540 -0.467 401 HG2 GLU 55 HG3 GLU 55 12.473 1.797 -0.227 402 HG3 GLU 55 HG2 GLU 55 12.390 3.392 -0.965 403 H HIS 56 H HIS 56 8.937 3.146 -3.459 404 HA HIS 56 HA HIS 56 6.784 1.345 -3.471 405 HB2 HIS 56 HB3 HIS 56 6.597 3.828 -3.810 406 HB3 HIS 56 HB2 HIS 56 7.196 3.626 -5.446 407 HD2 HIS 56 HD2 HIS 56 4.223 1.948 -3.421 408 HE1 HIS 56 HE1 HIS 56 2.960 2.786 -7.352 409 HE2 HIS 56 HE2 HIS 56 2.247 1.846 -5.097 410 H GLN 57 H GLN 57 9.029 2.165 -6.225 411 HA GLN 57 HA GLN 57 7.847 0.479 -8.141 412 HB2 GLN 57 HB3 GLN 57 10.719 1.379 -7.729 413 HB3 GLN 57 HB2 GLN 57 10.334 0.282 -9.047 414 HG2 GLN 57 HG3 GLN 57 10.218 2.425 -10.102 415 HG3 GLN 57 HG2 GLN 57 8.532 2.095 -9.756 416 HE21 GLN 57 HE21 GLN 57 7.527 3.306 -7.904 417 HE22 GLN 57 HE22 GLN 57 8.257 4.744 -7.338 418 H GLN 58 H GLN 58 10.213 -0.438 -5.611 419 HA GLN 58 HA GLN 58 10.603 -3.139 -6.492 420 HB2 GLN 58 HB3 GLN 58 10.832 -1.868 -3.735 421 HB3 GLN 58 HB2 GLN 58 11.388 -3.502 -4.107 422 HG2 GLN 58 HG3 GLN 58 12.968 -2.599 -5.802 423 HG3 GLN 58 HG2 GLN 58 12.398 -0.969 -5.487 424 HE21 GLN 58 HE21 GLN 58 14.822 -3.160 -4.627 425 HE22 GLN 58 HE22 GLN 58 15.309 -2.436 -3.172 426 H MET 59 H MET 59 8.449 -1.838 -3.897 427 HA MET 59 HA MET 59 7.114 -4.191 -3.287 428 HB2 MET 59 HB3 MET 59 6.091 -1.319 -3.191 429 HB3 MET 59 HB2 MET 59 5.452 -2.680 -2.286 430 HG2 MET 59 HG3 MET 59 8.274 -1.625 -2.001 431 HG3 MET 59 HG2 MET 59 6.979 -1.211 -0.924 432 HE1 MET 59 HE1 MET 59 9.366 -3.935 -2.253 433 HE2 MET 59 HE2 MET 59 9.665 -4.840 -0.769 434 HE3 MET 59 HE3 MET 59 10.039 -3.119 -0.834 435 H ARG 60 H ARG 60 6.540 -1.734 -5.761 436 HA ARG 60 HA ARG 60 3.953 -2.535 -6.532 437 HB2 ARG 60 HB3 ARG 60 5.191 -0.451 -7.257 438 HB3 ARG 60 HB2 ARG 60 6.150 -1.440 -8.354 439 HG2 ARG 60 HG3 ARG 60 4.027 -2.172 -9.484 440 HG3 ARG 60 HG2 ARG 60 3.119 -1.114 -8.404 441 HD2 ARG 60 HD3 ARG 60 3.455 0.023 -10.523 442 HD3 ARG 60 HD2 ARG 60 4.454 0.823 -9.302 443 HE ARG 60 HE ARG 60 6.348 0.139 -10.459 444 HH11 ARG 60 HH21 ARG 60 3.622 -1.754 -11.524 445 HH12 ARG 60 HH22 ARG 60 4.498 -2.531 -12.799 446 HH21 ARG 60 HH11 ARG 60 7.471 -0.888 -12.131 447 HH22 ARG 60 HH12 ARG 60 6.669 -2.044 -13.141 448 H ASP 61 H ASP 61 7.172 -3.551 -7.923 449 HA ASP 61 HA ASP 61 6.232 -5.423 -9.738 450 HB2 ASP 61 HB3 ASP 61 8.807 -5.329 -8.101 451 HB3 ASP 61 HB2 ASP 61 8.575 -6.378 -9.502 452 H ASP 62 H ASP 62 6.863 -5.696 -6.276 453 HA ASP 62 HA ASP 62 6.610 -8.538 -6.064 454 HB2 ASP 62 HB3 ASP 62 6.196 -6.408 -3.914 455 HB3 ASP 62 HB2 ASP 62 6.456 -8.124 -3.632 456 H LEU 63 H LEU 63 4.407 -5.774 -5.847 457 HA LEU 63 HA LEU 63 2.149 -7.105 -4.851 458 HB2 LEU 63 HB3 LEU 63 2.667 -4.512 -5.337 459 HB3 LEU 63 HB2 LEU 63 1.865 -4.840 -6.863 460 HG LEU 63 HG LEU 63 0.685 -5.225 -4.064 461 HD11 LEU 63 HD11 LEU 63 -0.029 -3.281 -6.286 462 HD12 LEU 63 HD12 LEU 63 0.799 -2.882 -4.779 463 HD13 LEU 63 HD13 LEU 63 -0.873 -3.445 -4.750 464 HD21 LEU 63 HD21 LEU 63 -1.493 -5.712 -5.401 465 HD22 LEU 63 HD22 LEU 63 -0.287 -6.978 -5.348 466 HD23 LEU 63 HD23 LEU 63 -0.442 -5.984 -6.795 467 H GLU 64 H GLU 64 3.116 -6.423 -8.281 468 HA GLU 64 HA GLU 64 0.960 -7.769 -9.540 469 HB2 GLU 64 HB3 GLU 64 3.864 -7.494 -10.432 470 HB3 GLU 64 HB2 GLU 64 2.527 -7.951 -11.493 471 HG2 GLU 64 HG3 GLU 64 1.410 -5.765 -11.037 472 HG3 GLU 64 HG2 GLU 64 2.738 -5.306 -9.970 473 H LYS 65 H LYS 65 4.112 -9.043 -8.448 474 HA LYS 65 HA LYS 65 3.796 -11.728 -9.337 475 HB2 LYS 65 HB3 LYS 65 5.411 -10.494 -7.071 476 HB3 LYS 65 HB2 LYS 65 5.550 -12.204 -7.495 477 HG2 LYS 65 HG3 LYS 65 6.258 -11.583 -9.795 478 HG3 LYS 65 HG2 LYS 65 6.101 -9.878 -9.400 479 HD2 LYS 65 HD3 LYS 65 7.863 -10.116 -7.644 480 HD3 LYS 65 HD2 LYS 65 8.018 -11.827 -8.033 481 HE2 LYS 65 HE3 LYS 65 8.731 -11.230 -10.349 482 HE3 LYS 65 HE2 LYS 65 8.598 -9.517 -9.940 483 HZ1 LYS 65 HZ1 LYS 65 10.833 -10.078 -9.635 484 HZ2 LYS 65 HZ2 LYS 65 10.461 -11.525 -8.825 485 HZ3 LYS 65 HZ3 LYS 65 10.182 -10.029 -8.068 486 H GLU 66 H GLU 66 3.022 -10.226 -6.179 487 HA GLU 66 HA GLU 66 2.039 -12.621 -4.939 488 HB2 GLU 66 HB3 GLU 66 1.631 -9.666 -4.342 489 HB3 GLU 66 HB2 GLU 66 0.964 -10.937 -3.311 490 HG2 GLU 66 HG3 GLU 66 3.242 -11.820 -2.882 491 HG3 GLU 66 HG2 GLU 66 3.942 -10.618 -3.949 492 H ARG 67 H ARG 67 0.471 -10.052 -6.870 493 HA ARG 67 HA ARG 67 -2.154 -10.545 -6.451 494 HB2 ARG 67 HB3 ARG 67 -1.040 -8.771 -7.962 495 HB3 ARG 67 HB2 ARG 67 -0.976 -9.998 -9.220 496 HG2 ARG 67 HG3 ARG 67 -3.460 -10.271 -9.027 497 HG3 ARG 67 HG2 ARG 67 -3.473 -8.976 -7.837 498 HD2 ARG 67 HD3 ARG 67 -2.521 -8.675 -10.719 499 HD3 ARG 67 HD2 ARG 67 -4.093 -8.145 -10.112 500 HE ARG 67 HE ARG 67 -2.097 -6.988 -8.490 501 HH11 ARG 67 HH21 ARG 67 -3.270 -6.839 -11.765 502 HH12 ARG 67 HH22 ARG 67 -2.796 -5.190 -11.997 503 HH21 ARG 67 HH11 ARG 67 -1.482 -4.840 -8.806 504 HH22 ARG 67 HH12 ARG 67 -1.785 -4.061 -10.323 505 H GLU 68 H GLU 68 0.151 -12.567 -8.135 506 HA GLU 68 HA GLU 68 -1.743 -14.209 -9.580 507 HB2 GLU 68 HB3 GLU 68 1.154 -14.729 -8.767 508 HB3 GLU 68 HB2 GLU 68 0.251 -15.670 -9.948 509 HG2 GLU 68 HG3 GLU 68 0.891 -12.687 -10.212 510 HG3 GLU 68 HG2 GLU 68 1.755 -13.977 -11.038 511 H ASP 69 H ASP 69 0.424 -14.995 -6.838 512 HA ASP 69 HA ASP 69 -0.910 -17.376 -6.071 513 HB2 ASP 69 HB3 ASP 69 0.830 -15.537 -4.362 514 HB3 ASP 69 HB2 ASP 69 0.452 -17.222 -4.003 515 H LEU 70 H LEU 70 -1.737 -14.071 -5.609 516 HA LEU 70 HA LEU 70 -3.156 -14.212 -3.148 517 HB2 LEU 70 HB3 LEU 70 -2.504 -12.049 -4.189 518 HB3 LEU 70 HB2 LEU 70 -3.603 -12.357 -5.522 519 HG LEU 70 HG LEU 70 -5.551 -12.278 -3.937 520 HD11 LEU 70 HD11 LEU 70 -3.387 -11.844 -1.837 521 HD12 LEU 70 HD12 LEU 70 -4.736 -12.980 -1.818 522 HD13 LEU 70 HD13 LEU 70 -5.038 -11.273 -1.570 523 HD21 LEU 70 HD21 LEU 70 -4.860 -10.207 -5.089 524 HD22 LEU 70 HD22 LEU 70 -3.755 -9.825 -3.769 525 HD23 LEU 70 HD23 LEU 70 -5.497 -9.842 -3.487 526 H ASP 71 H ASP 71 -4.102 -14.725 -6.511 527 HA ASP 71 HA ASP 71 -6.901 -15.021 -6.135 528 HB2 ASP 71 HB3 ASP 71 -5.106 -16.297 -8.251 529 HB3 ASP 71 HB2 ASP 71 -6.862 -16.142 -8.359 530 H LEU 72 H LEU 72 -4.219 -17.284 -5.883 531 HA LEU 72 HA LEU 72 -5.824 -19.664 -5.560 532 HB2 LEU 72 HB3 LEU 72 -2.896 -18.969 -5.137 533 HB3 LEU 72 HB2 LEU 72 -3.500 -20.542 -4.622 534 HG LEU 72 HG LEU 72 -2.480 -20.626 -6.899 535 HD11 LEU 72 HD11 LEU 72 -5.400 -21.131 -7.518 536 HD12 LEU 72 HD12 LEU 72 -4.679 -22.037 -6.188 537 HD13 LEU 72 HD13 LEU 72 -3.982 -22.138 -7.795 538 HD21 LEU 72 HD21 LEU 72 -4.764 -18.866 -7.902 539 HD22 LEU 72 HD22 LEU 72 -3.366 -19.441 -8.800 540 HD23 LEU 72 HD23 LEU 72 -3.154 -18.228 -7.541 541 H ASP 73 H ASP 73 -7.348 -19.045 -4.014 542 HA ASP 73 HA ASP 73 -6.642 -18.253 -1.311 543 HB2 ASP 73 HB3 ASP 73 -9.249 -19.272 -2.540 544 HB3 ASP 73 HB2 ASP 73 -9.095 -18.554 -0.935 545 H HIS 74 H HIS 74 -5.511 -19.771 -0.168 546 HA HIS 74 HA HIS 74 -5.754 -22.617 -0.485 547 HB2 HIS 74 HB3 HIS 74 -4.274 -22.671 1.541 548 HB3 HIS 74 HB2 HIS 74 -3.665 -21.575 0.299 549 HD2 HIS 74 HD2 HIS 74 -5.444 -21.311 3.822 550 HE1 HIS 74 HE1 HIS 74 -3.926 -17.510 2.792 551 HE2 HIS 74 HE2 HIS 74 -5.055 -18.858 4.626 552 H SER 75 H SER 75 -7.526 -20.229 1.236 553 HA SER 75 HA SER 75 -8.607 -21.951 3.322 554 HB2 SER 75 HB3 SER 75 -9.973 -20.011 3.899 555 HB3 SER 75 HB2 SER 75 -8.335 -19.456 3.554 556 HG SER 75 HG SER 75 -9.083 -18.381 1.914 557 H SER 76 H SER 76 -9.126 -21.715 0.008 558 HA SER 76 HA SER 76 -11.935 -21.845 -0.273 559 HB2 SER 76 HB3 SER 76 -10.405 -21.510 -2.192 560 HB3 SER 76 HB2 SER 76 -9.769 -23.139 -1.988 561 HG SER 76 HG SER 76 -11.375 -23.702 -3.218 562 H LEU 77 H LEU 77 -9.507 -24.413 0.227 563 HA LEU 77 HA LEU 77 -11.485 -26.541 0.162 564 HB2 LEU 77 HB3 LEU 77 -9.441 -27.960 0.924 565 HB3 LEU 77 HB2 LEU 77 -9.354 -27.237 -0.669 566 HG LEU 77 HG LEU 77 -8.243 -25.486 1.535 567 HD11 LEU 77 HD11 LEU 77 -6.070 -26.691 1.683 568 HD12 LEU 77 HD12 LEU 77 -6.784 -28.036 0.784 569 HD13 LEU 77 HD13 LEU 77 -7.407 -27.611 2.375 570 HD21 LEU 77 HD21 LEU 77 -7.052 -26.334 -1.152 571 HD22 LEU 77 HD22 LEU 77 -6.503 -24.994 -0.144 572 HD23 LEU 77 HD23 LEU 77 -8.080 -24.922 -0.924 573 HA PRO 78 HA PRO 78 -12.734 -26.654 4.542 574 HB2 PRO 78 HB3 PRO 78 -11.661 -29.515 4.468 575 HB3 PRO 78 HB2 PRO 78 -13.166 -28.919 5.213 576 HG2 PRO 78 HG3 PRO 78 -13.265 -30.114 2.828 577 HG3 PRO 78 HG2 PRO 78 -14.239 -28.654 3.125 578 HD2 PRO 78 HD2 PRO 78 -11.707 -28.912 1.483 579 HD3 PRO 78 HD3 PRO 78 -13.094 -27.817 1.273 Start of MODEL 12 1 H1 ASN 1 1H ASN 1 -13.187 -12.104 -10.806 2 H2 ASN 1 2H ASN 1 -11.566 -12.310 -10.344 3 H3 ASN 1 3H ASN 1 -12.499 -13.654 -10.802 4 HA ASN 1 HA ASN 1 -11.144 -13.206 -12.642 5 HB2 ASN 1 HB3 ASN 1 -13.850 -11.858 -13.103 6 HB3 ASN 1 HB2 ASN 1 -12.813 -12.536 -14.356 7 HD21 ASN 1 HD21 ASN 1 -15.551 -13.275 -12.631 8 HD22 ASN 1 HD22 ASN 1 -15.432 -14.969 -12.624 9 H THR 2 H THR 2 -11.378 -11.222 -14.553 10 HA THR 2 HA THR 2 -9.557 -9.230 -13.671 11 HB THR 2 HB THR 2 -9.651 -9.875 -16.029 12 HG1 THR 2 HG1 THR 2 -8.977 -7.863 -16.004 13 HG21 THR 2 HG21 THR 2 -11.588 -9.314 -17.460 14 HG22 THR 2 HG22 THR 2 -12.461 -8.681 -16.072 15 HG23 THR 2 HG23 THR 2 -12.095 -10.403 -16.168 16 H VAL 3 H VAL 3 -12.884 -9.507 -13.157 17 HA VAL 3 HA VAL 3 -13.814 -6.836 -13.321 18 HB VAL 3 HB VAL 3 -15.284 -8.840 -13.114 19 HG11 VAL 3 HG11 VAL 3 -14.465 -8.920 -10.162 20 HG12 VAL 3 HG12 VAL 3 -13.906 -10.062 -11.382 21 HG13 VAL 3 HG13 VAL 3 -15.617 -9.987 -10.967 22 HG21 VAL 3 HG21 VAL 3 -16.188 -6.574 -12.522 23 HG22 VAL 3 HG22 VAL 3 -15.735 -6.837 -10.838 24 HG23 VAL 3 HG23 VAL 3 -16.970 -7.849 -11.585 25 H ASP 4 H ASP 4 -12.048 -8.578 -10.839 26 HA ASP 4 HA ASP 4 -12.326 -6.722 -8.697 27 HB2 ASP 4 HB3 ASP 4 -10.049 -8.671 -9.292 28 HB3 ASP 4 HB2 ASP 4 -10.368 -7.905 -7.734 29 H ASP 5 H ASP 5 -10.738 -5.223 -7.904 30 HA ASP 5 HA ASP 5 -8.516 -4.304 -9.514 31 HB2 ASP 5 HB3 ASP 5 -9.498 -2.077 -10.056 32 HB3 ASP 5 HB2 ASP 5 -10.415 -3.374 -10.824 33 H ILE 6 H ILE 6 -9.044 -5.199 -6.777 34 HA ILE 6 HA ILE 6 -9.145 -2.996 -4.961 35 HB ILE 6 HB ILE 6 -7.933 -5.775 -4.504 36 HG12 ILE 6 HG13 ILE 6 -10.806 -4.820 -3.977 37 HG13 ILE 6 HG12 ILE 6 -10.346 -5.830 -5.341 38 HG21 ILE 6 HG21 ILE 6 -7.337 -4.105 -2.732 39 HG22 ILE 6 HG22 ILE 6 -8.456 -5.291 -2.089 40 HG23 ILE 6 HG23 ILE 6 -9.038 -3.699 -2.554 41 HD11 ILE 6 HD11 ILE 6 -10.076 -6.598 -2.412 42 HD12 ILE 6 HD12 ILE 6 -9.560 -7.590 -3.777 43 HD13 ILE 6 HD13 ILE 6 -11.268 -7.214 -3.553 44 H SER 7 H SER 7 -6.510 -4.812 -6.483 45 HA SER 7 HA SER 7 -4.304 -3.650 -5.177 46 HB2 SER 7 HB3 SER 7 -4.540 -4.800 -7.978 47 HB3 SER 7 HB2 SER 7 -3.010 -4.463 -7.169 48 HG SER 7 HG SER 7 -4.819 -6.503 -6.797 49 H GLU 8 H GLU 8 -6.562 -2.061 -7.065 50 HA GLU 8 HA GLU 8 -4.896 -0.263 -8.581 51 HB2 GLU 8 HB3 GLU 8 -7.310 -0.819 -9.108 52 HB3 GLU 8 HB2 GLU 8 -7.800 0.095 -7.684 53 HG2 GLU 8 HG3 GLU 8 -6.759 2.152 -8.649 54 HG3 GLU 8 HG2 GLU 8 -6.259 1.238 -10.065 55 H SER 9 H SER 9 -6.588 -0.100 -5.431 56 HA SER 9 HA SER 9 -5.969 2.603 -4.795 57 HB2 SER 9 HB3 SER 9 -6.605 1.993 -2.483 58 HB3 SER 9 HB2 SER 9 -7.729 1.272 -3.634 59 HG SER 9 HG SER 9 -6.251 -0.614 -3.508 60 H LEU 10 H LEU 10 -4.349 -0.450 -3.872 61 HA LEU 10 HA LEU 10 -2.283 0.635 -2.290 62 HB2 LEU 10 HB3 LEU 10 -2.117 -1.871 -4.027 63 HB3 LEU 10 HB2 LEU 10 -1.257 -1.561 -2.521 64 HG LEU 10 HG LEU 10 -4.275 -2.013 -2.837 65 HD11 LEU 10 HD11 LEU 10 -2.125 -3.708 -1.506 66 HD12 LEU 10 HD12 LEU 10 -2.971 -4.073 -3.015 67 HD13 LEU 10 HD13 LEU 10 -3.857 -4.062 -1.497 68 HD21 LEU 10 HD21 LEU 10 -4.011 -0.429 -1.048 69 HD22 LEU 10 HD22 LEU 10 -2.647 -1.297 -0.380 70 HD23 LEU 10 HD23 LEU 10 -4.273 -1.979 -0.285 71 H ARG 11 H ARG 11 -2.433 -0.091 -5.773 72 HA ARG 11 HA ARG 11 0.269 0.530 -6.388 73 HB2 ARG 11 HB3 ARG 11 -1.272 -0.751 -7.891 74 HB3 ARG 11 HB2 ARG 11 -2.202 0.715 -8.185 75 HG2 ARG 11 HG3 ARG 11 -0.184 1.798 -9.184 76 HG3 ARG 11 HG2 ARG 11 0.757 0.358 -8.859 77 HD2 ARG 11 HD3 ARG 11 -0.679 -0.940 -10.397 78 HD3 ARG 11 HD2 ARG 11 -1.663 0.494 -10.708 79 HE ARG 11 HE ARG 11 0.931 -0.105 -11.832 80 HH11 ARG 11 HH21 ARG 11 -1.150 2.523 -10.847 81 HH12 ARG 11 HH22 ARG 11 -0.399 3.674 -11.903 82 HH21 ARG 11 HH11 ARG 11 1.903 1.428 -13.178 83 HH22 ARG 11 HH12 ARG 11 1.315 3.056 -13.214 84 H GLN 12 H GLN 12 -2.718 2.442 -6.770 85 HA GLN 12 HA GLN 12 -3.167 4.667 -6.915 86 HB2 GLN 12 HB3 GLN 12 -2.138 4.585 -4.615 87 HB3 GLN 12 HB2 GLN 12 -0.589 5.023 -5.324 88 HG2 GLN 12 HG3 GLN 12 -1.629 7.160 -6.186 89 HG3 GLN 12 HG2 GLN 12 -3.138 6.720 -5.396 90 HE21 GLN 12 HE21 GLN 12 -3.348 7.613 -3.291 91 HE22 GLN 12 HE22 GLN 12 -2.041 8.084 -2.315 92 H GLY 13 H GLY 13 0.384 4.743 -7.019 93 HA2 GLY 13 HA3 GLY 13 1.773 4.971 -8.922 94 HA3 GLY 13 HA2 GLY 13 0.439 5.655 -9.845 95 H GLY 14 H GLY 14 0.122 7.083 -6.960 96 HA2 GLY 14 HA3 GLY 14 1.068 9.652 -7.747 97 HA3 GLY 14 HA2 GLY 14 0.521 9.192 -6.137 98 H GLY 15 H GLY 15 2.242 7.331 -5.296 99 HA2 GLY 15 HA3 GLY 15 4.583 6.781 -5.029 100 HA3 GLY 15 HA2 GLY 15 5.020 8.428 -5.468 101 H LYS 16 H LYS 16 4.039 10.146 -3.989 102 HA LYS 16 HA LYS 16 4.925 9.733 -1.301 103 HB2 LYS 16 HB3 LYS 16 3.177 11.938 -2.500 104 HB3 LYS 16 HB2 LYS 16 3.922 11.992 -0.896 105 HG2 LYS 16 HG3 LYS 16 6.174 11.914 -1.895 106 HG3 LYS 16 HG2 LYS 16 5.488 11.704 -3.507 107 HD2 LYS 16 HD3 LYS 16 6.199 14.055 -3.167 108 HD3 LYS 16 HD2 LYS 16 4.456 13.958 -3.393 109 HE2 LYS 16 HE3 LYS 16 5.600 13.994 -0.571 110 HE3 LYS 16 HE2 LYS 16 5.379 15.500 -1.458 111 HZ1 LYS 16 HZ1 LYS 16 3.233 15.449 -1.031 112 HZ2 LYS 16 HZ2 LYS 16 3.454 14.058 -0.081 113 HZ3 LYS 16 HZ3 LYS 16 3.067 13.912 -1.729 114 H LEU 17 H LEU 17 3.847 8.861 0.365 115 HA LEU 17 HA LEU 17 0.943 9.025 0.648 116 HB2 LEU 17 HB3 LEU 17 2.402 6.532 -0.214 117 HB3 LEU 17 HB2 LEU 17 1.250 6.270 1.072 118 HG LEU 17 HG LEU 17 0.589 7.551 -1.596 119 HD11 LEU 17 HD11 LEU 17 0.020 4.740 -0.601 120 HD12 LEU 17 HD12 LEU 17 1.130 5.189 -1.899 121 HD13 LEU 17 HD13 LEU 17 -0.603 5.425 -2.103 122 HD21 LEU 17 HD21 LEU 17 -1.857 6.724 -0.459 123 HD22 LEU 17 HD22 LEU 17 -1.239 8.364 -0.478 124 HD23 LEU 17 HD23 LEU 17 -0.979 7.364 0.937 125 H ASN 18 H ASN 18 0.431 9.124 2.698 126 HA ASN 18 HA ASN 18 2.369 8.414 4.853 127 HB2 ASN 18 HB3 ASN 18 2.250 10.860 4.637 128 HB3 ASN 18 HB2 ASN 18 0.496 10.803 4.577 129 HD21 ASN 18 HD21 ASN 18 -0.656 10.664 6.565 130 HD22 ASN 18 HD22 ASN 18 0.107 10.633 8.073 131 H PHE 19 H PHE 19 1.492 7.241 6.429 132 HA PHE 19 HA PHE 19 -0.420 5.467 6.377 133 HB2 PHE 19 HB3 PHE 19 -0.663 5.537 8.827 134 HB3 PHE 19 HB2 PHE 19 1.016 5.765 8.336 135 HD1 PHE 19 HD1 PHE 19 2.128 7.997 8.545 136 HD2 PHE 19 HD2 PHE 19 -2.002 7.474 9.705 137 HE1 PHE 19 HE1 PHE 19 2.166 10.197 9.690 138 HE2 PHE 19 HE2 PHE 19 -1.952 9.685 10.832 139 HZ PHE 19 HZ PHE 19 0.126 11.045 10.821 140 H ASP 20 H ASP 20 -1.203 8.870 7.038 141 HA ASP 20 HA ASP 20 -4.011 8.447 7.558 142 HB2 ASP 20 HB3 ASP 20 -2.620 10.419 8.330 143 HB3 ASP 20 HB2 ASP 20 -2.575 11.005 6.680 144 H GLU 21 H GLU 21 -2.172 9.618 4.784 145 HA GLU 21 HA GLU 21 -4.280 10.200 3.034 146 HB2 GLU 21 HB3 GLU 21 -1.454 9.276 2.436 147 HB3 GLU 21 HB2 GLU 21 -2.518 9.920 1.187 148 HG2 GLU 21 HG3 GLU 21 -1.712 11.458 3.708 149 HG3 GLU 21 HG2 GLU 21 -0.887 11.619 2.159 150 H LEU 22 H LEU 22 -2.492 7.235 3.324 151 HA LEU 22 HA LEU 22 -4.058 5.831 1.262 152 HB2 LEU 22 HB3 LEU 22 -2.772 3.815 1.975 153 HB3 LEU 22 HB2 LEU 22 -1.763 5.157 1.497 154 HG LEU 22 HG LEU 22 -1.998 5.622 4.292 155 HD11 LEU 22 HD11 LEU 22 -1.569 2.649 4.018 156 HD12 LEU 22 HD12 LEU 22 -3.132 3.318 4.412 157 HD13 LEU 22 HD13 LEU 22 -1.796 3.608 5.480 158 HD21 LEU 22 HD21 LEU 22 0.189 4.182 2.712 159 HD22 LEU 22 HD22 LEU 22 0.389 4.630 4.391 160 HD23 LEU 22 HD23 LEU 22 0.121 5.869 3.194 161 H ARG 23 H ARG 23 -3.822 5.642 4.827 162 HA ARG 23 HA ARG 23 -5.651 3.522 5.205 163 HB2 ARG 23 HB3 ARG 23 -4.102 4.396 6.937 164 HB3 ARG 23 HB2 ARG 23 -5.115 5.830 7.115 165 HG2 ARG 23 HG3 ARG 23 -6.954 3.696 7.520 166 HG3 ARG 23 HG2 ARG 23 -5.481 3.089 8.230 167 HD2 ARG 23 HD3 ARG 23 -5.326 5.155 9.635 168 HD3 ARG 23 HD2 ARG 23 -6.876 5.670 8.959 169 HE ARG 23 HE ARG 23 -7.944 4.129 10.316 170 HH11 ARG 23 HH21 ARG 23 -4.567 3.266 10.088 171 HH12 ARG 23 HH22 ARG 23 -4.689 1.984 11.247 172 HH21 ARG 23 HH11 ARG 23 -8.081 2.428 11.793 173 HH22 ARG 23 HH12 ARG 23 -6.670 1.517 12.208 174 H GLN 24 H GLN 24 -6.286 6.986 5.508 175 HA GLN 24 HA GLN 24 -9.011 6.908 6.081 176 HB2 GLN 24 HB3 GLN 24 -7.382 8.994 4.581 177 HB3 GLN 24 HB2 GLN 24 -8.968 9.300 5.291 178 HG2 GLN 24 HG3 GLN 24 -6.702 8.176 6.994 179 HG3 GLN 24 HG2 GLN 24 -6.837 9.910 6.714 180 HE21 GLN 24 HE21 GLN 24 -7.465 7.834 9.089 181 HE22 GLN 24 HE22 GLN 24 -8.917 8.459 9.705 182 H ASP 25 H ASP 25 -7.357 6.695 2.963 183 HA ASP 25 HA ASP 25 -9.679 7.111 1.340 184 HB2 ASP 25 HB3 ASP 25 -6.843 6.096 0.892 185 HB3 ASP 25 HB2 ASP 25 -8.020 6.242 -0.410 186 H LEU 26 H LEU 26 -7.621 4.415 2.474 187 HA LEU 26 HA LEU 26 -9.041 2.325 1.121 188 HB2 LEU 26 HB3 LEU 26 -7.311 2.165 3.605 189 HB3 LEU 26 HB2 LEU 26 -7.921 0.748 2.756 190 HG LEU 26 HG LEU 26 -6.273 2.808 1.219 191 HD11 LEU 26 HD11 LEU 26 -4.888 2.174 3.159 192 HD12 LEU 26 HD12 LEU 26 -4.224 1.478 1.690 193 HD13 LEU 26 HD13 LEU 26 -5.143 0.468 2.811 194 HD21 LEU 26 HD21 LEU 26 -7.514 1.006 -0.048 195 HD22 LEU 26 HD22 LEU 26 -6.563 -0.191 0.805 196 HD23 LEU 26 HD23 LEU 26 -5.783 0.966 -0.261 197 H LYS 27 H LYS 27 -9.629 3.905 4.155 198 HA LYS 27 HA LYS 27 -11.358 2.002 5.361 199 HB2 LYS 27 HB3 LYS 27 -10.464 4.203 6.275 200 HB3 LYS 27 HB2 LYS 27 -11.736 5.032 5.380 201 HG2 LYS 27 HG3 LYS 27 -13.427 3.521 6.622 202 HG3 LYS 27 HG2 LYS 27 -12.087 2.980 7.630 203 HD2 LYS 27 HD3 LYS 27 -13.139 5.845 7.373 204 HD3 LYS 27 HD2 LYS 27 -13.309 4.789 8.775 205 HE2 LYS 27 HE3 LYS 27 -10.740 6.098 7.721 206 HE3 LYS 27 HE2 LYS 27 -11.477 6.279 9.315 207 HZ1 LYS 27 HZ1 LYS 27 -9.940 4.026 8.228 208 HZ2 LYS 27 HZ2 LYS 27 -11.116 3.714 9.415 209 HZ3 LYS 27 HZ3 LYS 27 -9.830 4.776 9.746 210 H GLY 28 H GLY 28 -12.052 4.580 3.007 211 HA2 GLY 28 HA3 GLY 28 -14.847 4.218 2.720 212 HA3 GLY 28 HA2 GLY 28 -13.783 4.954 1.529 213 H LYS 29 H LYS 29 -12.114 2.606 1.151 214 HA LYS 29 HA LYS 29 -13.591 1.262 -0.903 215 HB2 LYS 29 HB3 LYS 29 -10.893 0.508 0.316 216 HB3 LYS 29 HB2 LYS 29 -11.501 0.045 -1.267 217 HG2 LYS 29 HG3 LYS 29 -10.907 2.918 -0.459 218 HG3 LYS 29 HG2 LYS 29 -9.789 1.898 -1.349 219 HD2 LYS 29 HD3 LYS 29 -11.467 1.671 -3.184 220 HD3 LYS 29 HD2 LYS 29 -12.569 2.719 -2.310 221 HE2 LYS 29 HE3 LYS 29 -10.969 4.585 -2.452 222 HE3 LYS 29 HE2 LYS 29 -9.825 3.543 -3.310 223 HZ1 LYS 29 HZ1 LYS 29 -12.202 3.220 -4.629 224 HZ2 LYS 29 HZ2 LYS 29 -10.873 4.136 -5.159 225 HZ3 LYS 29 HZ3 LYS 29 -12.138 4.883 -4.305 226 H GLY 30 H GLY 30 -13.915 0.903 2.249 227 HA2 GLY 30 HA3 GLY 30 -14.992 -0.646 3.570 228 HA3 GLY 30 HA2 GLY 30 -15.321 -1.570 2.108 229 H HIS 31 H HIS 31 -11.946 -0.790 2.853 230 HA HIS 31 HA HIS 31 -11.254 -3.569 2.981 231 HB2 HIS 31 HB3 HIS 31 -9.728 -0.971 3.415 232 HB3 HIS 31 HB2 HIS 31 -8.971 -2.551 3.594 233 HD2 HIS 31 HD2 HIS 31 -7.444 -2.448 1.260 234 HE1 HIS 31 HE1 HIS 31 -10.748 -2.215 -1.347 235 HE2 HIS 31 HE2 HIS 31 -8.214 -2.487 -1.234 236 H THR 32 H THR 32 -10.008 -4.490 4.763 237 HA THR 32 HA THR 32 -11.529 -4.129 7.290 238 HB THR 32 HB THR 32 -10.597 -6.320 7.887 239 HG1 THR 32 HG1 THR 32 -8.636 -6.435 7.086 240 HG21 THR 32 HG21 THR 32 -12.593 -6.256 6.341 241 HG22 THR 32 HG22 THR 32 -11.580 -7.676 6.076 242 HG23 THR 32 HG23 THR 32 -11.487 -6.314 4.965 243 H ASP 33 H ASP 33 -10.394 -4.127 9.328 244 HA ASP 33 HA ASP 33 -8.363 -2.135 9.458 245 HB2 ASP 33 HB3 ASP 33 -9.266 -4.167 11.544 246 HB3 ASP 33 HB2 ASP 33 -8.280 -2.741 11.885 247 H ALA 34 H ALA 34 -8.254 -5.692 9.736 248 HA ALA 34 HA ALA 34 -5.521 -5.963 10.371 249 HB1 ALA 34 HB1 ALA 34 -7.149 -7.827 10.503 250 HB2 ALA 34 HB2 ALA 34 -5.744 -8.284 9.533 251 HB3 ALA 34 HB3 ALA 34 -7.267 -7.857 8.744 252 H GLU 35 H GLU 35 -7.116 -5.970 7.061 253 HA GLU 35 HA GLU 35 -4.716 -6.232 5.638 254 HB2 GLU 35 HB3 GLU 35 -7.444 -5.102 4.946 255 HB3 GLU 35 HB2 GLU 35 -6.195 -5.343 3.725 256 HG2 GLU 35 HG3 GLU 35 -7.290 -7.588 5.502 257 HG3 GLU 35 HG2 GLU 35 -7.870 -7.260 3.874 258 H ILE 36 H ILE 36 -6.601 -3.403 6.465 259 HA ILE 36 HA ILE 36 -5.107 -1.451 5.112 260 HB ILE 36 HB ILE 36 -6.690 -1.200 7.696 261 HG12 ILE 36 HG13 ILE 36 -7.475 -0.266 4.895 262 HG13 ILE 36 HG12 ILE 36 -7.844 -1.854 5.471 263 HG21 ILE 36 HG21 ILE 36 -5.210 0.758 7.679 264 HG22 ILE 36 HG22 ILE 36 -6.784 1.305 7.139 265 HG23 ILE 36 HG23 ILE 36 -5.503 1.044 5.960 266 HD11 ILE 36 HD11 ILE 36 -9.178 -0.958 7.303 267 HD12 ILE 36 HD12 ILE 36 -9.747 -0.284 5.778 268 HD13 ILE 36 HD13 ILE 36 -8.745 0.694 6.841 269 H GLU 37 H GLU 37 -4.771 -2.435 8.572 270 HA GLU 37 HA GLU 37 -2.666 -0.761 9.193 271 HB2 GLU 37 HB3 GLU 37 -2.419 -1.966 11.236 272 HB3 GLU 37 HB2 GLU 37 -4.128 -1.884 10.836 273 HG2 GLU 37 HG3 GLU 37 -3.898 -4.220 9.891 274 HG3 GLU 37 HG2 GLU 37 -2.284 -4.305 10.541 275 H ALA 38 H ALA 38 -2.726 -4.080 8.029 276 HA ALA 38 HA ALA 38 0.039 -4.665 8.293 277 HB1 ALA 38 HB1 ALA 38 -0.520 -6.564 6.786 278 HB2 ALA 38 HB2 ALA 38 -2.069 -5.806 6.401 279 HB3 ALA 38 HB3 ALA 38 -1.751 -6.374 8.038 280 H ILE 39 H ILE 39 -1.934 -3.513 5.537 281 HA ILE 39 HA ILE 39 0.060 -3.638 3.554 282 HB ILE 39 HB ILE 39 -2.611 -2.316 3.849 283 HG12 ILE 39 HG13 ILE 39 -2.856 -3.028 1.386 284 HG13 ILE 39 HG12 ILE 39 -1.220 -3.650 1.470 285 HG21 ILE 39 HG21 ILE 39 -2.495 -0.725 1.926 286 HG22 ILE 39 HG22 ILE 39 -0.749 -0.890 1.899 287 HG23 ILE 39 HG23 ILE 39 -1.548 -0.170 3.288 288 HD11 ILE 39 HD11 ILE 39 -2.577 -5.530 1.921 289 HD12 ILE 39 HD12 ILE 39 -3.691 -4.598 2.912 290 HD13 ILE 39 HD13 ILE 39 -2.096 -5.021 3.545 291 H PHE 40 H PHE 40 -0.769 -0.849 5.581 292 HA PHE 40 HA PHE 40 1.209 0.858 4.364 293 HB2 PHE 40 HB3 PHE 40 0.323 2.543 5.644 294 HB3 PHE 40 HB2 PHE 40 -0.984 1.383 5.859 295 HD1 PHE 40 HD1 PHE 40 -1.211 0.138 7.922 296 HD2 PHE 40 HD2 PHE 40 1.891 3.040 7.505 297 HE1 PHE 40 HE1 PHE 40 -0.775 -0.028 10.365 298 HE2 PHE 40 HE2 PHE 40 2.305 2.917 9.929 299 HZ PHE 40 HZ PHE 40 1.012 1.376 11.372 300 H THR 41 H THR 41 1.089 -1.198 7.197 301 HA THR 41 HA THR 41 3.418 -0.340 8.477 302 HB THR 41 HB THR 41 1.873 -2.946 8.426 303 HG1 THR 41 HG1 THR 41 1.039 -2.131 10.250 304 HG21 THR 41 HG21 THR 41 4.318 -2.222 10.076 305 HG22 THR 41 HG22 THR 41 4.038 -3.690 9.136 306 HG23 THR 41 HG23 THR 41 3.124 -3.398 10.611 307 H LYS 42 H LYS 42 2.957 -2.857 6.037 308 HA LYS 42 HA LYS 42 5.684 -3.756 6.005 309 HB2 LYS 42 HB3 LYS 42 3.359 -3.913 4.043 310 HB3 LYS 42 HB2 LYS 42 4.899 -4.733 3.737 311 HG2 LYS 42 HG3 LYS 42 4.645 -6.023 5.843 312 HG3 LYS 42 HG2 LYS 42 3.135 -5.195 6.193 313 HD2 LYS 42 HD3 LYS 42 2.131 -6.135 4.097 314 HD3 LYS 42 HD2 LYS 42 3.647 -6.979 3.765 315 HE2 LYS 42 HE3 LYS 42 1.878 -7.422 6.214 316 HE3 LYS 42 HE2 LYS 42 2.027 -8.521 4.838 317 HZ1 LYS 42 HZ1 LYS 42 4.434 -8.637 5.322 318 HZ2 LYS 42 HZ2 LYS 42 3.465 -9.264 6.570 319 HZ3 LYS 42 HZ3 LYS 42 4.172 -7.727 6.727 320 H TYR 43 H TYR 43 3.876 -1.585 3.743 321 HA TYR 43 HA TYR 43 6.254 -0.943 2.250 322 HB2 TYR 43 HB3 TYR 43 3.653 0.637 2.336 323 HB3 TYR 43 HB2 TYR 43 4.835 0.610 1.035 324 HD1 TYR 43 HD2 TYR 43 5.430 -2.349 0.724 325 HD2 TYR 43 HD1 TYR 43 1.641 -0.351 1.353 326 HE1 TYR 43 HE2 TYR 43 4.256 -4.239 -0.317 327 HE2 TYR 43 HE1 TYR 43 0.499 -2.277 0.276 328 HH TYR 43 HH TYR 43 2.090 -5.247 -0.375 329 H ASP 44 H ASP 44 4.687 0.574 5.015 330 HA ASP 44 HA ASP 44 6.759 2.722 5.020 331 HB2 ASP 44 HB3 ASP 44 4.257 2.683 6.765 332 HB3 ASP 44 HB2 ASP 44 5.280 4.039 6.312 333 H GLN 45 H GLN 45 8.478 1.901 6.028 334 HA GLN 45 HA GLN 45 8.514 -0.155 7.932 335 HB2 GLN 45 HB3 GLN 45 10.556 2.086 7.565 336 HB3 GLN 45 HB2 GLN 45 10.872 0.516 8.313 337 HG2 GLN 45 HG3 GLN 45 10.056 0.964 5.395 338 HG3 GLN 45 HG2 GLN 45 11.676 0.570 5.953 339 HE21 GLN 45 HE21 GLN 45 8.386 -0.737 5.575 340 HE22 GLN 45 HE22 GLN 45 8.841 -2.366 5.712 341 H ASP 46 H ASP 46 8.793 3.461 8.619 342 HA ASP 46 HA ASP 46 8.293 2.912 11.479 343 HB2 ASP 46 HB3 ASP 46 9.336 5.349 9.970 344 HB3 ASP 46 HB2 ASP 46 9.248 5.184 11.726 345 H GLY 47 H GLY 47 6.532 3.653 8.701 346 HA2 GLY 47 HA3 GLY 47 4.465 4.641 8.332 347 HA3 GLY 47 HA2 GLY 47 4.177 4.334 10.013 348 H ASP 48 H ASP 48 6.859 6.335 9.280 349 HA ASP 48 HA ASP 48 5.371 8.813 10.071 350 HB2 ASP 48 HB3 ASP 48 6.940 7.890 11.800 351 HB3 ASP 48 HB2 ASP 48 8.274 8.082 10.669 352 H GLN 49 H GLN 49 7.182 7.305 7.631 353 HA GLN 49 HA GLN 49 7.933 9.910 6.359 354 HB2 GLN 49 HB3 GLN 49 9.713 8.473 5.156 355 HB3 GLN 49 HB2 GLN 49 9.982 8.778 6.867 356 HG2 GLN 49 HG3 GLN 49 10.461 6.413 6.354 357 HG3 GLN 49 HG2 GLN 49 9.072 6.519 7.428 358 HE21 GLN 49 HE21 GLN 49 7.812 4.720 6.771 359 HE22 GLN 49 HE22 GLN 49 7.311 4.457 5.173 360 H GLU 50 H GLU 50 7.706 10.130 4.165 361 HA GLU 50 HA GLU 50 5.425 8.899 2.959 362 HB2 GLU 50 HB3 GLU 50 7.401 10.966 1.918 363 HB3 GLU 50 HB2 GLU 50 5.922 10.478 1.081 364 HG2 GLU 50 HG3 GLU 50 4.561 11.258 3.034 365 HG3 GLU 50 HG2 GLU 50 6.037 11.766 3.856 366 H LEU 51 H LEU 51 5.443 7.705 1.077 367 HA LEU 51 HA LEU 51 7.800 5.916 0.799 368 HB2 LEU 51 HB3 LEU 51 5.069 5.827 -0.581 369 HB3 LEU 51 HB2 LEU 51 6.272 4.533 -0.575 370 HG LEU 51 HG LEU 51 4.818 5.616 1.891 371 HD11 LEU 51 HD11 LEU 51 3.652 3.415 1.886 372 HD12 LEU 51 HD12 LEU 51 4.479 2.984 0.391 373 HD13 LEU 51 HD13 LEU 51 3.326 4.312 0.407 374 HD21 LEU 51 HD21 LEU 51 5.853 3.396 2.873 375 HD22 LEU 51 HD22 LEU 51 6.858 4.813 2.779 376 HD23 LEU 51 HD23 LEU 51 7.026 3.532 1.578 377 H THR 52 H THR 52 9.308 6.484 -0.549 378 HA THR 52 HA THR 52 9.005 8.317 -2.725 379 HB THR 52 HB THR 52 11.045 8.364 -1.361 380 HG1 THR 52 HG1 THR 52 12.408 7.482 -3.398 381 HG21 THR 52 HG21 THR 52 11.537 5.522 -2.350 382 HG22 THR 52 HG22 THR 52 11.134 5.968 -0.695 383 HG23 THR 52 HG23 THR 52 12.663 6.487 -1.403 384 H GLU 53 H GLU 53 10.391 7.577 -4.623 385 HA GLU 53 HA GLU 53 8.644 5.906 -6.124 386 HB2 GLU 53 HB3 GLU 53 11.431 6.916 -6.830 387 HB3 GLU 53 HB2 GLU 53 10.308 6.168 -7.975 388 HG2 GLU 53 HG3 GLU 53 8.654 7.996 -7.541 389 HG3 GLU 53 HG2 GLU 53 9.787 8.750 -6.416 390 H HIS 54 H HIS 54 12.086 5.413 -5.331 391 HA HIS 54 HA HIS 54 12.323 2.821 -6.310 392 HB2 HIS 54 HB3 HIS 54 13.703 3.882 -3.793 393 HB3 HIS 54 HB2 HIS 54 14.247 2.508 -4.764 394 HD2 HIS 54 HD2 HIS 54 14.582 6.343 -4.726 395 HE1 HIS 54 HE1 HIS 54 16.013 5.045 -8.479 396 HE2 HIS 54 HE2 HIS 54 15.853 7.029 -6.900 397 H GLU 55 H GLU 55 11.496 3.662 -2.853 398 HA GLU 55 HA GLU 55 10.983 1.060 -2.035 399 HB2 GLU 55 HB3 GLU 55 11.176 3.132 -0.577 400 HB3 GLU 55 HB2 GLU 55 9.564 3.600 -1.093 401 HG2 GLU 55 HG3 GLU 55 9.393 2.472 1.081 402 HG3 GLU 55 HG2 GLU 55 8.667 1.431 -0.135 403 H HIS 56 H HIS 56 8.715 3.504 -3.380 404 HA HIS 56 HA HIS 56 6.374 1.940 -3.256 405 HB2 HIS 56 HB3 HIS 56 6.310 4.385 -3.561 406 HB3 HIS 56 HB2 HIS 56 7.020 4.221 -5.162 407 HD2 HIS 56 HD2 HIS 56 5.062 3.985 -7.136 408 HE1 HIS 56 HE1 HIS 56 1.935 2.571 -4.672 409 HE2 HIS 56 HE2 HIS 56 2.557 3.243 -7.046 410 H GLN 57 H GLN 57 8.611 2.451 -6.092 411 HA GLN 57 HA GLN 57 7.177 0.762 -7.862 412 HB2 GLN 57 HB3 GLN 57 9.898 2.048 -7.768 413 HB3 GLN 57 HB2 GLN 57 9.729 0.720 -8.895 414 HG2 GLN 57 HG3 GLN 57 9.239 3.001 -9.887 415 HG3 GLN 57 HG2 GLN 57 7.948 1.837 -10.089 416 HE21 GLN 57 HE21 GLN 57 8.624 3.732 -7.161 417 HE22 GLN 57 HE22 GLN 57 7.172 4.577 -7.154 418 H GLN 58 H GLN 58 9.687 0.009 -5.451 419 HA GLN 58 HA GLN 58 10.334 -2.624 -6.334 420 HB2 GLN 58 HB3 GLN 58 10.512 -1.107 -3.708 421 HB3 GLN 58 HB2 GLN 58 10.844 -2.837 -3.678 422 HG2 GLN 58 HG3 GLN 58 12.648 -2.558 -5.334 423 HG3 GLN 58 HG2 GLN 58 12.290 -0.851 -5.498 424 HE21 GLN 58 HE21 GLN 58 14.807 -1.114 -4.827 425 HE22 GLN 58 HE22 GLN 58 15.106 -0.922 -3.167 426 H MET 59 H MET 59 8.059 -1.596 -3.717 427 HA MET 59 HA MET 59 6.958 -4.147 -3.297 428 HB2 MET 59 HB3 MET 59 5.061 -2.930 -2.230 429 HB3 MET 59 HB2 MET 59 6.616 -2.399 -1.618 430 HG2 MET 59 HG3 MET 59 6.510 -0.390 -2.948 431 HG3 MET 59 HG2 MET 59 5.131 -0.923 -3.839 432 HE1 MET 59 HE1 MET 59 2.133 -0.498 -1.706 433 HE2 MET 59 HE2 MET 59 2.959 -1.772 -2.609 434 HE3 MET 59 HE3 MET 59 2.773 -0.173 -3.321 435 H ARG 60 H ARG 60 6.162 -1.550 -5.649 436 HA ARG 60 HA ARG 60 3.616 -2.458 -6.371 437 HB2 ARG 60 HB3 ARG 60 4.777 -0.313 -7.060 438 HB3 ARG 60 HB2 ARG 60 5.712 -1.240 -8.231 439 HG2 ARG 60 HG3 ARG 60 3.570 -1.974 -9.309 440 HG3 ARG 60 HG2 ARG 60 2.678 -1.000 -8.144 441 HD2 ARG 60 HD3 ARG 60 2.914 0.239 -10.239 442 HD3 ARG 60 HD2 ARG 60 3.885 1.032 -8.988 443 HE ARG 60 HE ARG 60 5.490 -0.859 -10.372 444 HH11 ARG 60 HH21 ARG 60 3.951 2.231 -10.849 445 HH12 ARG 60 HH22 ARG 60 5.088 2.755 -12.047 446 HH21 ARG 60 HH11 ARG 60 6.964 -0.155 -11.938 447 HH22 ARG 60 HH12 ARG 60 6.786 1.409 -12.661 448 H ASP 61 H ASP 61 6.810 -3.294 -7.868 449 HA ASP 61 HA ASP 61 5.904 -5.171 -9.704 450 HB2 ASP 61 HB3 ASP 61 8.507 -4.998 -8.123 451 HB3 ASP 61 HB2 ASP 61 8.281 -6.034 -9.537 452 H ASP 62 H ASP 62 6.597 -5.447 -6.218 453 HA ASP 62 HA ASP 62 6.467 -8.340 -6.129 454 HB2 ASP 62 HB3 ASP 62 7.597 -6.917 -4.379 455 HB3 ASP 62 HB2 ASP 62 6.019 -6.360 -3.849 456 H LEU 63 H LEU 63 4.189 -5.670 -5.700 457 HA LEU 63 HA LEU 63 2.010 -7.147 -4.702 458 HB2 LEU 63 HB3 LEU 63 2.334 -4.565 -4.816 459 HB3 LEU 63 HB2 LEU 63 1.757 -4.673 -6.471 460 HG LEU 63 HG LEU 63 -0.298 -6.051 -5.307 461 HD11 LEU 63 HD11 LEU 63 -0.843 -5.275 -3.066 462 HD12 LEU 63 HD12 LEU 63 0.575 -4.231 -3.023 463 HD13 LEU 63 HD13 LEU 63 0.764 -5.976 -3.021 464 HD21 LEU 63 HD21 LEU 63 -1.607 -3.982 -5.147 465 HD22 LEU 63 HD22 LEU 63 -0.585 -3.936 -6.576 466 HD23 LEU 63 HD23 LEU 63 -0.131 -3.012 -5.143 467 H GLU 64 H GLU 64 2.759 -6.128 -8.085 468 HA GLU 64 HA GLU 64 0.540 -7.336 -9.324 469 HB2 GLU 64 HB3 GLU 64 3.367 -6.871 -10.341 470 HB3 GLU 64 HB2 GLU 64 2.011 -7.299 -11.389 471 HG2 GLU 64 HG3 GLU 64 0.812 -5.227 -10.696 472 HG3 GLU 64 HG2 GLU 64 2.145 -4.798 -9.631 473 H LYS 65 H LYS 65 3.754 -8.635 -8.658 474 HA LYS 65 HA LYS 65 3.526 -11.172 -9.804 475 HB2 LYS 65 HB3 LYS 65 5.121 -10.146 -7.443 476 HB3 LYS 65 HB2 LYS 65 5.234 -11.829 -7.970 477 HG2 LYS 65 HG3 LYS 65 6.001 -11.116 -10.210 478 HG3 LYS 65 HG2 LYS 65 5.784 -9.431 -9.779 479 HD2 LYS 65 HD3 LYS 65 8.172 -10.026 -9.609 480 HD3 LYS 65 HD2 LYS 65 7.542 -9.650 -8.008 481 HE2 LYS 65 HE3 LYS 65 7.518 -12.002 -7.383 482 HE3 LYS 65 HE2 LYS 65 7.728 -12.520 -9.060 483 HZ1 LYS 65 HZ1 LYS 65 9.914 -11.988 -9.037 484 HZ2 LYS 65 HZ2 LYS 65 9.715 -12.397 -7.400 485 HZ3 LYS 65 HZ3 LYS 65 9.740 -10.766 -7.875 486 H GLU 66 H GLU 66 2.493 -10.005 -6.622 487 HA GLU 66 HA GLU 66 1.816 -12.463 -5.439 488 HB2 GLU 66 HB3 GLU 66 1.261 -11.105 -3.641 489 HB3 GLU 66 HB2 GLU 66 1.625 -9.725 -4.662 490 HG2 GLU 66 HG3 GLU 66 -0.769 -9.609 -5.371 491 HG3 GLU 66 HG2 GLU 66 -1.143 -11.009 -4.367 492 H ARG 67 H ARG 67 -0.059 -10.279 -7.477 493 HA ARG 67 HA ARG 67 -2.573 -11.533 -7.327 494 HB2 ARG 67 HB3 ARG 67 -1.430 -10.134 -9.791 495 HB3 ARG 67 HB2 ARG 67 -3.137 -10.430 -9.464 496 HG2 ARG 67 HG3 ARG 67 -2.948 -9.028 -7.375 497 HG3 ARG 67 HG2 ARG 67 -1.273 -8.681 -7.799 498 HD2 ARG 67 HD3 ARG 67 -3.712 -7.964 -9.485 499 HD3 ARG 67 HD2 ARG 67 -2.750 -6.830 -8.534 500 HE ARG 67 HE ARG 67 -0.974 -8.128 -10.262 501 HH11 ARG 67 HH21 ARG 67 -3.760 -6.055 -10.506 502 HH12 ARG 67 HH22 ARG 67 -3.251 -5.329 -11.993 503 HH21 ARG 67 HH11 ARG 67 -0.318 -7.164 -12.205 504 HH22 ARG 67 HH12 ARG 67 -1.308 -5.955 -12.951 505 H GLU 68 H GLU 68 -0.102 -12.046 -9.858 506 HA GLU 68 HA GLU 68 -1.493 -14.231 -11.138 507 HB2 GLU 68 HB3 GLU 68 0.715 -14.600 -12.309 508 HB3 GLU 68 HB2 GLU 68 0.129 -12.938 -12.419 509 HG2 GLU 68 HG3 GLU 68 1.620 -12.270 -10.570 510 HG3 GLU 68 HG2 GLU 68 2.209 -13.916 -10.402 511 H ASP 69 H ASP 69 0.775 -14.000 -8.499 512 HA ASP 69 HA ASP 69 1.512 -16.810 -8.390 513 HB2 ASP 69 HB3 ASP 69 2.845 -14.976 -7.281 514 HB3 ASP 69 HB2 ASP 69 1.548 -14.776 -6.113 515 H LEU 70 H LEU 70 -0.754 -14.788 -6.540 516 HA LEU 70 HA LEU 70 -1.880 -16.707 -4.894 517 HB2 LEU 70 HB3 LEU 70 -2.319 -14.150 -4.866 518 HB3 LEU 70 HB2 LEU 70 -3.550 -14.441 -6.082 519 HG LEU 70 HG LEU 70 -4.435 -16.276 -4.252 520 HD11 LEU 70 HD11 LEU 70 -2.537 -15.892 -2.669 521 HD12 LEU 70 HD12 LEU 70 -4.098 -15.569 -1.931 522 HD13 LEU 70 HD13 LEU 70 -3.072 -14.227 -2.449 523 HD21 LEU 70 HD21 LEU 70 -4.946 -13.283 -3.974 524 HD22 LEU 70 HD22 LEU 70 -5.964 -14.550 -3.278 525 HD23 LEU 70 HD23 LEU 70 -5.819 -14.398 -5.026 526 H ASP 71 H ASP 71 -2.933 -15.769 -8.136 527 HA ASP 71 HA ASP 71 -5.192 -17.425 -8.394 528 HB2 ASP 71 HB3 ASP 71 -3.183 -16.550 -10.520 529 HB3 ASP 71 HB2 ASP 71 -4.817 -17.137 -10.840 530 H LEU 72 H LEU 72 -1.880 -18.004 -9.642 531 HA LEU 72 HA LEU 72 -2.211 -20.653 -10.435 532 HB2 LEU 72 HB3 LEU 72 -0.197 -19.300 -11.013 533 HB3 LEU 72 HB2 LEU 72 0.327 -19.355 -9.337 534 HG LEU 72 HG LEU 72 0.579 -21.860 -9.512 535 HD11 LEU 72 HD11 LEU 72 -0.417 -21.425 -12.353 536 HD12 LEU 72 HD12 LEU 72 -0.976 -22.588 -11.148 537 HD13 LEU 72 HD13 LEU 72 0.570 -22.831 -11.935 538 HD21 LEU 72 HD21 LEU 72 2.530 -20.414 -9.970 539 HD22 LEU 72 HD22 LEU 72 2.086 -20.344 -11.675 540 HD23 LEU 72 HD23 LEU 72 2.583 -21.876 -10.955 541 H ASP 73 H ASP 73 -1.071 -19.416 -7.294 542 HA ASP 73 HA ASP 73 -0.822 -22.025 -6.059 543 HB2 ASP 73 HB3 ASP 73 -0.944 -19.226 -4.842 544 HB3 ASP 73 HB2 ASP 73 -0.491 -20.690 -3.970 545 H HIS 74 H HIS 74 -2.909 -22.922 -6.560 546 HA HIS 74 HA HIS 74 -5.391 -21.773 -5.757 547 HB2 HIS 74 HB3 HIS 74 -5.189 -23.602 -7.453 548 HB3 HIS 74 HB2 HIS 74 -4.673 -24.717 -6.191 549 HD2 HIS 74 HD2 HIS 74 -6.840 -26.103 -5.139 550 HE1 HIS 74 HE1 HIS 74 -9.828 -23.219 -5.907 551 HE2 HIS 74 HE2 HIS 74 -9.377 -25.517 -4.923 552 H SER 75 H SER 75 -3.219 -24.142 -4.246 553 HA SER 75 HA SER 75 -3.879 -23.348 -1.560 554 HB2 SER 75 HB3 SER 75 -5.899 -24.699 -2.073 555 HB3 SER 75 HB2 SER 75 -4.881 -26.058 -2.538 556 HG SER 75 HG SER 75 -5.281 -24.885 -0.002 557 H SER 76 H SER 76 -2.831 -24.918 0.013 558 HA SER 76 HA SER 76 -0.661 -26.606 -0.932 559 HB2 SER 76 HB3 SER 76 -0.026 -23.938 0.411 560 HB3 SER 76 HB2 SER 76 1.152 -25.201 0.040 561 HG SER 76 HG SER 76 -0.400 -23.626 -1.733 562 H LEU 77 H LEU 77 -3.076 -26.103 1.100 563 HA LEU 77 HA LEU 77 -2.009 -26.333 3.696 564 HB2 LEU 77 HB3 LEU 77 -4.716 -26.896 2.455 565 HB3 LEU 77 HB2 LEU 77 -4.446 -27.458 4.101 566 HG LEU 77 HG LEU 77 -3.856 -25.123 4.791 567 HD11 LEU 77 HD11 LEU 77 -4.413 -23.236 3.160 568 HD12 LEU 77 HD12 LEU 77 -4.465 -24.452 1.882 569 HD13 LEU 77 HD13 LEU 77 -2.969 -24.168 2.774 570 HD21 LEU 77 HD21 LEU 77 -6.148 -24.175 4.657 571 HD22 LEU 77 HD22 LEU 77 -6.198 -25.898 5.023 572 HD23 LEU 77 HD23 LEU 77 -6.559 -25.335 3.390 573 HA PRO 78 HA PRO 78 -0.672 -30.631 3.793 574 HB2 PRO 78 HB3 PRO 78 -0.850 -31.284 6.460 575 HB3 PRO 78 HB2 PRO 78 0.315 -30.063 5.887 576 HG2 PRO 78 HG3 PRO 78 -2.457 -29.604 7.034 577 HG3 PRO 78 HG2 PRO 78 -0.919 -28.851 7.528 578 HD2 PRO 78 HD2 PRO 78 -2.582 -27.550 5.805 579 HD3 PRO 78 HD3 PRO 78 -0.817 -27.473 5.572 Start of MODEL 13 1 H1 ASN 1 1H ASN 1 -23.523 -3.265 -5.618 2 H2 ASN 1 2H ASN 1 -22.555 -3.449 -4.232 3 H3 ASN 1 3H ASN 1 -22.122 -4.223 -5.682 4 HA ASN 1 HA ASN 1 -21.765 -2.078 -6.744 5 HB2 ASN 1 HB3 ASN 1 -21.782 -0.044 -5.258 6 HB3 ASN 1 HB2 ASN 1 -23.380 -0.772 -5.423 7 HD21 ASN 1 HD21 ASN 1 -24.448 -0.965 -3.436 8 HD22 ASN 1 HD22 ASN 1 -23.684 -1.186 -1.936 9 H THR 2 H THR 2 -20.762 -4.075 -4.274 10 HA THR 2 HA THR 2 -18.326 -2.909 -3.385 11 HB THR 2 HB THR 2 -17.740 -5.201 -2.657 12 HG1 THR 2 HG1 THR 2 -18.353 -6.676 -4.000 13 HG21 THR 2 HG21 THR 2 -20.732 -4.680 -2.328 14 HG22 THR 2 HG22 THR 2 -19.471 -3.952 -1.331 15 HG23 THR 2 HG23 THR 2 -19.738 -5.695 -1.285 16 H VAL 3 H VAL 3 -19.174 -4.831 -6.251 17 HA VAL 3 HA VAL 3 -16.524 -5.398 -7.140 18 HB VAL 3 HB VAL 3 -19.065 -5.134 -8.846 19 HG11 VAL 3 HG11 VAL 3 -16.959 -5.321 -10.176 20 HG12 VAL 3 HG12 VAL 3 -17.904 -6.796 -10.319 21 HG13 VAL 3 HG13 VAL 3 -16.493 -6.756 -9.260 22 HG21 VAL 3 HG21 VAL 3 -17.997 -7.552 -7.292 23 HG22 VAL 3 HG22 VAL 3 -19.357 -7.589 -8.418 24 HG23 VAL 3 HG23 VAL 3 -19.477 -6.663 -6.927 25 H ASP 4 H ASP 4 -15.411 -3.395 -6.858 26 HA ASP 4 HA ASP 4 -15.631 -1.529 -9.152 27 HB2 ASP 4 HB3 ASP 4 -15.495 0.436 -7.628 28 HB3 ASP 4 HB2 ASP 4 -16.970 -0.479 -7.338 29 H ASP 5 H ASP 5 -13.726 0.017 -9.062 30 HA ASP 5 HA ASP 5 -11.304 -1.491 -9.078 31 HB2 ASP 5 HB3 ASP 5 -10.263 0.713 -9.600 32 HB3 ASP 5 HB2 ASP 5 -11.699 0.424 -10.581 33 H ILE 6 H ILE 6 -10.032 -1.992 -7.398 34 HA ILE 6 HA ILE 6 -9.834 -0.237 -4.982 35 HB ILE 6 HB ILE 6 -9.794 -2.341 -3.580 36 HG12 ILE 6 HG13 ILE 6 -10.825 -3.738 -6.121 37 HG13 ILE 6 HG12 ILE 6 -9.188 -3.914 -5.515 38 HG21 ILE 6 HG21 ILE 6 -11.891 -0.999 -3.790 39 HG22 ILE 6 HG22 ILE 6 -12.267 -2.710 -3.626 40 HG23 ILE 6 HG23 ILE 6 -12.358 -1.939 -5.209 41 HD11 ILE 6 HD11 ILE 6 -11.701 -4.718 -4.019 42 HD12 ILE 6 HD12 ILE 6 -10.060 -4.847 -3.389 43 HD13 ILE 6 HD13 ILE 6 -10.548 -5.803 -4.786 44 H SER 7 H SER 7 -8.360 -2.476 -7.221 45 HA SER 7 HA SER 7 -5.840 -2.806 -5.933 46 HB2 SER 7 HB3 SER 7 -6.574 -2.923 -8.883 47 HB3 SER 7 HB2 SER 7 -5.060 -3.515 -8.198 48 HG SER 7 HG SER 7 -6.563 -5.194 -8.371 49 H GLU 8 H GLU 8 -7.269 -0.159 -7.641 50 HA GLU 8 HA GLU 8 -4.890 1.190 -8.521 51 HB2 GLU 8 HB3 GLU 8 -7.684 2.272 -7.909 52 HB3 GLU 8 HB2 GLU 8 -6.414 3.165 -8.756 53 HG2 GLU 8 HG3 GLU 8 -6.389 1.418 -10.549 54 HG3 GLU 8 HG2 GLU 8 -7.673 0.546 -9.714 55 H SER 9 H SER 9 -6.772 1.182 -5.506 56 HA SER 9 HA SER 9 -5.648 3.461 -4.270 57 HB2 SER 9 HB3 SER 9 -6.683 0.904 -2.977 58 HB3 SER 9 HB2 SER 9 -6.451 2.448 -2.155 59 HG SER 9 HG SER 9 -8.003 2.288 -4.499 60 H LEU 10 H LEU 10 -4.660 0.011 -4.070 61 HA LEU 10 HA LEU 10 -2.422 0.344 -2.381 62 HB2 LEU 10 HB3 LEU 10 -2.788 -1.776 -4.568 63 HB3 LEU 10 HB2 LEU 10 -1.845 -1.926 -3.081 64 HG LEU 10 HG LEU 10 -4.899 -1.715 -3.296 65 HD11 LEU 10 HD11 LEU 10 -4.026 -3.931 -3.893 66 HD12 LEU 10 HD12 LEU 10 -4.870 -4.013 -2.354 67 HD13 LEU 10 HD13 LEU 10 -3.106 -4.005 -2.390 68 HD21 LEU 10 HD21 LEU 10 -4.783 -2.187 -0.749 69 HD22 LEU 10 HD22 LEU 10 -4.366 -0.575 -1.281 70 HD23 LEU 10 HD23 LEU 10 -3.088 -1.693 -0.858 71 H ARG 11 H ARG 11 -2.708 0.349 -5.940 72 HA ARG 11 HA ARG 11 0.080 0.546 -6.510 73 HB2 ARG 11 HB3 ARG 11 -1.714 -0.082 -8.175 74 HB3 ARG 11 HB2 ARG 11 -2.281 1.588 -8.166 75 HG2 ARG 11 HG3 ARG 11 -0.026 2.346 -8.989 76 HG3 ARG 11 HG2 ARG 11 0.510 0.667 -9.014 77 HD2 ARG 11 HD3 ARG 11 -1.801 1.801 -10.656 78 HD3 ARG 11 HD2 ARG 11 -0.190 1.441 -11.284 79 HE ARG 11 HE ARG 11 -2.312 -0.439 -10.788 80 HH11 ARG 11 HH21 ARG 11 1.162 -0.102 -10.811 81 HH12 ARG 11 HH22 ARG 11 1.442 -1.794 -11.054 82 HH21 ARG 11 HH11 ARG 11 -1.917 -2.630 -11.100 83 HH22 ARG 11 HH12 ARG 11 -0.291 -3.217 -11.216 84 H GLN 12 H GLN 12 -2.479 3.010 -6.389 85 HA GLN 12 HA GLN 12 -2.514 5.240 -6.032 86 HB2 GLN 12 HB3 GLN 12 -1.284 4.443 -3.900 87 HB3 GLN 12 HB2 GLN 12 0.216 4.940 -4.669 88 HG2 GLN 12 HG3 GLN 12 -0.489 6.804 -3.278 89 HG3 GLN 12 HG2 GLN 12 -0.814 7.291 -4.938 90 HE21 GLN 12 HE21 GLN 12 -2.743 8.521 -4.823 91 HE22 GLN 12 HE22 GLN 12 -4.145 8.033 -3.998 92 H GLY 13 H GLY 13 0.991 4.703 -6.508 93 HA2 GLY 13 HA3 GLY 13 2.458 5.388 -8.139 94 HA3 GLY 13 HA2 GLY 13 1.085 5.671 -9.206 95 H GLY 14 H GLY 14 0.400 7.302 -6.449 96 HA2 GLY 14 HA3 GLY 14 0.727 9.903 -7.541 97 HA3 GLY 14 HA2 GLY 14 0.318 9.520 -5.872 98 H GLY 15 H GLY 15 2.662 7.930 -5.349 99 HA2 GLY 15 HA3 GLY 15 5.013 8.098 -5.136 100 HA3 GLY 15 HA2 GLY 15 4.957 9.806 -5.556 101 H LYS 16 H LYS 16 3.712 11.212 -3.965 102 HA LYS 16 HA LYS 16 4.700 10.683 -1.257 103 HB2 LYS 16 HB3 LYS 16 3.025 13.018 -2.292 104 HB3 LYS 16 HB2 LYS 16 3.859 12.945 -0.727 105 HG2 LYS 16 HG3 LYS 16 5.214 12.881 -3.484 106 HG3 LYS 16 HG2 LYS 16 5.158 14.267 -2.391 107 HD2 LYS 16 HD3 LYS 16 6.363 12.720 -0.636 108 HD3 LYS 16 HD2 LYS 16 6.672 11.628 -1.994 109 HE2 LYS 16 HE3 LYS 16 7.575 14.518 -1.832 110 HE3 LYS 16 HE2 LYS 16 8.597 13.089 -1.659 111 HZ1 LYS 16 HZ1 LYS 16 7.676 12.447 -3.930 112 HZ2 LYS 16 HZ2 LYS 16 8.825 13.697 -3.882 113 HZ3 LYS 16 HZ3 LYS 16 7.174 14.060 -4.059 114 H LEU 17 H LEU 17 3.670 9.780 0.305 115 HA LEU 17 HA LEU 17 0.866 10.123 0.707 116 HB2 LEU 17 HB3 LEU 17 0.270 7.708 0.474 117 HB3 LEU 17 HB2 LEU 17 0.797 8.397 -1.043 118 HG LEU 17 HG LEU 17 3.225 7.427 0.009 119 HD11 LEU 17 HD11 LEU 17 1.123 5.377 0.744 120 HD12 LEU 17 HD12 LEU 17 1.984 6.362 1.928 121 HD13 LEU 17 HD13 LEU 17 2.862 5.204 0.925 122 HD21 LEU 17 HD21 LEU 17 1.270 5.877 -1.741 123 HD22 LEU 17 HD22 LEU 17 2.992 5.565 -1.610 124 HD23 LEU 17 HD23 LEU 17 2.440 7.069 -2.314 125 H ASN 18 H ASN 18 0.231 9.440 2.683 126 HA ASN 18 HA ASN 18 2.266 8.429 4.619 127 HB2 ASN 18 HB3 ASN 18 1.120 10.134 6.260 128 HB3 ASN 18 HB2 ASN 18 2.268 10.787 5.098 129 HD21 ASN 18 HD21 ASN 18 1.155 11.453 2.900 130 HD22 ASN 18 HD22 ASN 18 -0.316 12.285 3.047 131 H PHE 19 H PHE 19 1.462 7.062 6.133 132 HA PHE 19 HA PHE 19 -0.426 5.264 5.944 133 HB2 PHE 19 HB3 PHE 19 -0.638 5.174 8.433 134 HB3 PHE 19 HB2 PHE 19 1.031 5.364 7.897 135 HD1 PHE 19 HD1 PHE 19 2.213 7.574 8.076 136 HD2 PHE 19 HD2 PHE 19 -1.819 7.078 9.564 137 HE1 PHE 19 HE1 PHE 19 2.382 9.731 9.285 138 HE2 PHE 19 HE2 PHE 19 -1.627 9.232 10.776 139 HZ PHE 19 HZ PHE 19 0.469 10.564 10.636 140 H ASP 20 H ASP 20 -1.215 8.586 6.808 141 HA ASP 20 HA ASP 20 -3.971 8.070 7.489 142 HB2 ASP 20 HB3 ASP 20 -2.661 9.989 8.406 143 HB3 ASP 20 HB2 ASP 20 -2.595 10.703 6.803 144 H GLU 21 H GLU 21 -2.308 9.445 4.669 145 HA GLU 21 HA GLU 21 -4.583 10.103 3.182 146 HB2 GLU 21 HB3 GLU 21 -3.015 10.945 1.673 147 HB3 GLU 21 HB2 GLU 21 -1.780 10.366 2.794 148 HG2 GLU 21 HG3 GLU 21 -1.304 9.555 0.571 149 HG3 GLU 21 HG2 GLU 21 -1.734 8.197 1.599 150 H LEU 22 H LEU 22 -2.779 7.165 3.184 151 HA LEU 22 HA LEU 22 -4.482 5.884 1.135 152 HB2 LEU 22 HB3 LEU 22 -3.140 3.853 1.610 153 HB3 LEU 22 HB2 LEU 22 -2.171 5.267 1.191 154 HG LEU 22 HG LEU 22 -2.218 5.503 4.004 155 HD11 LEU 22 HD11 LEU 22 -1.818 2.549 3.582 156 HD12 LEU 22 HD12 LEU 22 -3.379 3.179 4.031 157 HD13 LEU 22 HD13 LEU 22 -2.023 3.470 5.084 158 HD21 LEU 22 HD21 LEU 22 -0.199 4.064 2.255 159 HD22 LEU 22 HD22 LEU 22 0.129 4.545 3.893 160 HD23 LEU 22 HD23 LEU 22 -0.226 5.770 2.707 161 H ARG 23 H ARG 23 -4.024 5.488 4.640 162 HA ARG 23 HA ARG 23 -5.857 3.390 5.040 163 HB2 ARG 23 HB3 ARG 23 -4.205 4.155 6.708 164 HB3 ARG 23 HB2 ARG 23 -5.147 5.626 6.971 165 HG2 ARG 23 HG3 ARG 23 -7.016 3.485 7.409 166 HG3 ARG 23 HG2 ARG 23 -5.525 2.917 8.130 167 HD2 ARG 23 HD3 ARG 23 -5.389 5.032 9.449 168 HD3 ARG 23 HD2 ARG 23 -6.956 5.509 8.768 169 HE ARG 23 HE ARG 23 -7.238 2.924 9.835 170 HH11 ARG 23 HH21 ARG 23 -6.588 6.152 10.957 171 HH12 ARG 23 HH22 ARG 23 -7.322 5.893 12.504 172 HH21 ARG 23 HH11 ARG 23 -8.185 2.601 11.838 173 HH22 ARG 23 HH12 ARG 23 -8.226 3.883 13.001 174 H GLN 24 H GLN 24 -6.430 6.897 5.409 175 HA GLN 24 HA GLN 24 -9.090 6.818 6.142 176 HB2 GLN 24 HB3 GLN 24 -9.209 9.139 5.530 177 HB3 GLN 24 HB2 GLN 24 -7.581 8.800 6.127 178 HG2 GLN 24 HG3 GLN 24 -6.908 8.509 3.641 179 HG3 GLN 24 HG2 GLN 24 -8.460 9.184 3.209 180 HE21 GLN 24 HE21 GLN 24 -6.194 10.080 5.822 181 HE22 GLN 24 HE22 GLN 24 -6.066 11.681 5.351 182 H ASP 25 H ASP 25 -7.684 6.461 2.883 183 HA ASP 25 HA ASP 25 -10.110 6.783 1.406 184 HB2 ASP 25 HB3 ASP 25 -7.815 7.316 0.545 185 HB3 ASP 25 HB2 ASP 25 -7.396 5.613 0.637 186 H LEU 26 H LEU 26 -8.005 4.062 2.376 187 HA LEU 26 HA LEU 26 -9.432 1.982 1.089 188 HB2 LEU 26 HB3 LEU 26 -7.662 1.870 3.543 189 HB3 LEU 26 HB2 LEU 26 -8.209 0.442 2.668 190 HG LEU 26 HG LEU 26 -6.599 2.627 1.262 191 HD11 LEU 26 HD11 LEU 26 -5.222 1.790 3.148 192 HD12 LEU 26 HD12 LEU 26 -4.566 1.228 1.615 193 HD13 LEU 26 HD13 LEU 26 -5.503 0.130 2.632 194 HD21 LEU 26 HD21 LEU 26 -7.044 -0.313 0.592 195 HD22 LEU 26 HD22 LEU 26 -6.065 0.812 -0.327 196 HD23 LEU 26 HD23 LEU 26 -7.782 1.045 -0.242 197 H LYS 27 H LYS 27 -9.948 3.539 4.135 198 HA LYS 27 HA LYS 27 -11.624 1.653 5.426 199 HB2 LYS 27 HB3 LYS 27 -10.686 3.881 6.314 200 HB3 LYS 27 HB2 LYS 27 -12.009 4.696 5.483 201 HG2 LYS 27 HG3 LYS 27 -13.621 3.153 6.788 202 HG3 LYS 27 HG2 LYS 27 -12.226 2.632 7.742 203 HD2 LYS 27 HD3 LYS 27 -13.323 5.490 7.526 204 HD3 LYS 27 HD2 LYS 27 -13.431 4.432 8.930 205 HE2 LYS 27 HE3 LYS 27 -10.809 4.415 8.898 206 HE3 LYS 27 HE2 LYS 27 -10.945 5.819 7.822 207 HZ1 LYS 27 HZ1 LYS 27 -12.183 6.983 9.479 208 HZ2 LYS 27 HZ2 LYS 27 -10.796 6.357 10.235 209 HZ3 LYS 27 HZ3 LYS 27 -12.304 5.607 10.463 210 H GLY 28 H GLY 28 -12.372 4.242 3.093 211 HA2 GLY 28 HA3 GLY 28 -15.181 3.921 2.934 212 HA3 GLY 28 HA2 GLY 28 -14.158 4.633 1.691 213 H LYS 29 H LYS 29 -12.520 2.294 1.233 214 HA LYS 29 HA LYS 29 -14.114 0.926 -0.711 215 HB2 LYS 29 HB3 LYS 29 -11.358 0.143 0.351 216 HB3 LYS 29 HB2 LYS 29 -12.058 -0.276 -1.209 217 HG2 LYS 29 HG3 LYS 29 -11.367 2.563 -0.357 218 HG3 LYS 29 HG2 LYS 29 -10.336 1.551 -1.358 219 HD2 LYS 29 HD3 LYS 29 -12.173 1.420 -3.062 220 HD3 LYS 29 HD2 LYS 29 -13.149 2.503 -2.080 221 HE2 LYS 29 HE3 LYS 29 -11.446 4.285 -2.293 222 HE3 LYS 29 HE2 LYS 29 -10.452 3.208 -3.285 223 HZ1 LYS 29 HZ1 LYS 29 -12.591 2.963 -4.663 224 HZ2 LYS 29 HZ2 LYS 29 -11.658 4.371 -4.848 225 HZ3 LYS 29 HZ3 LYS 29 -13.071 4.401 -3.906 226 H GLY 30 H GLY 30 -14.198 0.616 2.479 227 HA2 GLY 30 HA3 GLY 30 -15.196 -0.901 3.887 228 HA3 GLY 30 HA2 GLY 30 -15.623 -1.849 2.470 229 H HIS 31 H HIS 31 -12.172 -1.099 2.969 230 HA HIS 31 HA HIS 31 -11.521 -3.882 3.117 231 HB2 HIS 31 HB3 HIS 31 -9.920 -1.308 3.466 232 HB3 HIS 31 HB2 HIS 31 -9.191 -2.915 3.552 233 HD2 HIS 31 HD2 HIS 31 -7.815 -2.612 1.100 234 HE1 HIS 31 HE1 HIS 31 -11.317 -2.568 -1.254 235 HE2 HIS 31 HE2 HIS 31 -8.772 -2.729 -1.328 236 H THR 32 H THR 32 -10.195 -4.787 4.838 237 HA THR 32 HA THR 32 -11.541 -4.327 7.456 238 HB THR 32 HB THR 32 -10.655 -6.527 8.060 239 HG1 THR 32 HG1 THR 32 -8.676 -6.300 6.969 240 HG21 THR 32 HG21 THR 32 -11.723 -6.564 5.195 241 HG22 THR 32 HG22 THR 32 -12.732 -6.449 6.640 242 HG23 THR 32 HG23 THR 32 -11.777 -7.902 6.338 243 H ASP 33 H ASP 33 -10.250 -4.382 9.421 244 HA ASP 33 HA ASP 33 -8.216 -2.408 9.401 245 HB2 ASP 33 HB3 ASP 33 -7.911 -3.054 11.802 246 HB3 ASP 33 HB2 ASP 33 -9.613 -2.842 11.386 247 H ALA 34 H ALA 34 -8.093 -5.964 9.530 248 HA ALA 34 HA ALA 34 -5.314 -6.254 9.941 249 HB1 ALA 34 HB1 ALA 34 -7.178 -8.078 8.351 250 HB2 ALA 34 HB2 ALA 34 -6.951 -8.123 10.099 251 HB3 ALA 34 HB3 ALA 34 -5.610 -8.535 9.030 252 H GLU 35 H GLU 35 -7.168 -6.140 6.757 253 HA GLU 35 HA GLU 35 -4.867 -6.311 5.149 254 HB2 GLU 35 HB3 GLU 35 -7.618 -5.095 4.639 255 HB3 GLU 35 HB2 GLU 35 -6.422 -5.373 3.365 256 HG2 GLU 35 HG3 GLU 35 -6.445 -7.808 3.850 257 HG3 GLU 35 HG2 GLU 35 -7.596 -7.555 5.148 258 H ILE 36 H ILE 36 -6.733 -3.530 6.220 259 HA ILE 36 HA ILE 36 -5.361 -1.524 4.840 260 HB ILE 36 HB ILE 36 -6.733 -1.380 7.553 261 HG12 ILE 36 HG13 ILE 36 -7.759 -0.371 4.857 262 HG13 ILE 36 HG12 ILE 36 -8.063 -1.986 5.397 263 HG21 ILE 36 HG21 ILE 36 -6.902 1.127 7.101 264 HG22 ILE 36 HG22 ILE 36 -5.741 0.937 5.790 265 HG23 ILE 36 HG23 ILE 36 -5.275 0.594 7.457 266 HD11 ILE 36 HD11 ILE 36 -8.879 0.498 6.920 267 HD12 ILE 36 HD12 ILE 36 -9.244 -1.176 7.371 268 HD13 ILE 36 HD13 ILE 36 -9.948 -0.477 5.912 269 H GLU 37 H GLU 37 -4.764 -2.614 8.235 270 HA GLU 37 HA GLU 37 -2.625 -0.969 8.748 271 HB2 GLU 37 HB3 GLU 37 -2.280 -2.182 10.761 272 HB3 GLU 37 HB2 GLU 37 -4.011 -2.153 10.430 273 HG2 GLU 37 HG3 GLU 37 -3.724 -4.472 9.429 274 HG3 GLU 37 HG2 GLU 37 -2.098 -4.506 10.055 275 H ALA 38 H ALA 38 -2.728 -4.274 7.552 276 HA ALA 38 HA ALA 38 0.046 -4.832 7.625 277 HB1 ALA 38 HB1 ALA 38 -0.599 -6.702 6.101 278 HB2 ALA 38 HB2 ALA 38 -2.179 -5.944 5.865 279 HB3 ALA 38 HB3 ALA 38 -1.726 -6.550 7.454 280 H ILE 39 H ILE 39 -2.083 -3.642 5.015 281 HA ILE 39 HA ILE 39 -0.205 -3.710 2.925 282 HB ILE 39 HB ILE 39 -2.838 -2.352 3.430 283 HG12 ILE 39 HG13 ILE 39 -3.330 -3.082 1.045 284 HG13 ILE 39 HG12 ILE 39 -1.685 -3.690 0.922 285 HG21 ILE 39 HG21 ILE 39 -1.813 -0.240 2.770 286 HG22 ILE 39 HG22 ILE 39 -2.781 -0.802 1.433 287 HG23 ILE 39 HG23 ILE 39 -1.040 -0.988 1.377 288 HD11 ILE 39 HD11 ILE 39 -2.393 -5.069 3.121 289 HD12 ILE 39 HD12 ILE 39 -2.876 -5.610 1.510 290 HD13 ILE 39 HD13 ILE 39 -4.015 -4.723 2.510 291 H PHE 40 H PHE 40 -0.927 -0.942 5.056 292 HA PHE 40 HA PHE 40 0.971 0.792 3.754 293 HB2 PHE 40 HB3 PHE 40 0.175 2.435 5.140 294 HB3 PHE 40 HB2 PHE 40 -1.115 1.270 5.399 295 HD1 PHE 40 HD1 PHE 40 1.931 2.801 6.888 296 HD2 PHE 40 HD2 PHE 40 -1.277 0.031 7.463 297 HE1 PHE 40 HE1 PHE 40 2.471 2.643 9.284 298 HE2 PHE 40 HE2 PHE 40 -0.728 -0.151 9.880 299 HZ PHE 40 HZ PHE 40 1.177 1.165 10.792 300 H THR 41 H THR 41 1.003 -1.282 6.546 301 HA THR 41 HA THR 41 3.447 -0.522 7.676 302 HB THR 41 HB THR 41 1.836 -3.089 7.715 303 HG1 THR 41 HG1 THR 41 2.025 -0.736 9.194 304 HG21 THR 41 HG21 THR 41 4.334 -2.359 9.286 305 HG22 THR 41 HG22 THR 41 4.034 -3.828 8.356 306 HG23 THR 41 HG23 THR 41 3.158 -3.535 9.852 307 H LYS 42 H LYS 42 2.721 -3.026 5.197 308 HA LYS 42 HA LYS 42 5.353 -4.045 5.118 309 HB2 LYS 42 HB3 LYS 42 3.257 -5.134 4.220 310 HB3 LYS 42 HB2 LYS 42 3.243 -3.967 2.895 311 HG2 LYS 42 HG3 LYS 42 5.499 -4.769 2.169 312 HG3 LYS 42 HG2 LYS 42 5.505 -5.923 3.505 313 HD2 LYS 42 HD3 LYS 42 3.480 -7.033 2.539 314 HD3 LYS 42 HD2 LYS 42 3.498 -5.880 1.197 315 HE2 LYS 42 HE3 LYS 42 4.601 -8.027 0.547 316 HE3 LYS 42 HE2 LYS 42 5.765 -6.699 0.525 317 HZ1 LYS 42 HZ1 LYS 42 5.938 -9.046 1.974 318 HZ2 LYS 42 HZ2 LYS 42 5.600 -7.832 3.114 319 HZ3 LYS 42 HZ3 LYS 42 6.950 -7.689 2.093 320 H TYR 43 H TYR 43 3.674 -1.678 2.905 321 HA TYR 43 HA TYR 43 6.119 -1.153 1.476 322 HB2 TYR 43 HB3 TYR 43 3.686 0.706 1.579 323 HB3 TYR 43 HB2 TYR 43 4.892 0.576 0.306 324 HD1 TYR 43 HD1 TYR 43 5.239 -2.034 -0.514 325 HD2 TYR 43 HD2 TYR 43 1.562 -0.336 0.944 326 HE1 TYR 43 HE1 TYR 43 3.949 -3.792 -1.688 327 HE2 TYR 43 HE2 TYR 43 0.310 -2.126 -0.240 328 HH TYR 43 HH TYR 43 0.893 -4.567 -0.974 329 H ASP 44 H ASP 44 4.587 0.409 4.280 330 HA ASP 44 HA ASP 44 6.771 2.457 4.364 331 HB2 ASP 44 HB3 ASP 44 4.331 2.307 6.202 332 HB3 ASP 44 HB2 ASP 44 5.368 3.673 5.828 333 H GLN 45 H GLN 45 8.546 1.478 5.252 334 HA GLN 45 HA GLN 45 8.538 -0.674 7.052 335 HB2 GLN 45 HB3 GLN 45 10.690 1.474 6.736 336 HB3 GLN 45 HB2 GLN 45 10.943 -0.150 7.392 337 HG2 GLN 45 HG3 GLN 45 10.052 0.487 4.527 338 HG3 GLN 45 HG2 GLN 45 11.674 0.012 5.006 339 HE21 GLN 45 HE21 GLN 45 8.325 -1.176 4.704 340 HE22 GLN 45 HE22 GLN 45 8.737 -2.824 4.735 341 H ASP 46 H ASP 46 9.040 2.882 7.947 342 HA ASP 46 HA ASP 46 8.565 2.142 10.792 343 HB2 ASP 46 HB3 ASP 46 9.783 4.613 9.477 344 HB3 ASP 46 HB2 ASP 46 9.678 4.317 11.216 345 H GLY 47 H GLY 47 6.868 3.265 8.126 346 HA2 GLY 47 HA3 GLY 47 4.944 4.571 7.844 347 HA3 GLY 47 HA2 GLY 47 4.500 3.887 9.372 348 H ASP 48 H ASP 48 7.225 6.020 8.956 349 HA ASP 48 HA ASP 48 5.872 8.152 10.579 350 HB2 ASP 48 HB3 ASP 48 7.744 6.875 11.660 351 HB3 ASP 48 HB2 ASP 48 8.828 7.420 10.387 352 H GLN 49 H GLN 49 7.349 7.436 7.548 353 HA GLN 49 HA GLN 49 7.406 10.331 6.795 354 HB2 GLN 49 HB3 GLN 49 9.439 9.896 5.430 355 HB3 GLN 49 HB2 GLN 49 9.749 9.628 7.144 356 HG2 GLN 49 HG3 GLN 49 9.145 7.389 5.141 357 HG3 GLN 49 HG2 GLN 49 10.754 7.856 5.657 358 HE21 GLN 49 HE21 GLN 49 8.321 5.635 6.326 359 HE22 GLN 49 HE22 GLN 49 8.767 5.238 7.916 360 H GLU 50 H GLU 50 7.605 10.529 4.355 361 HA GLU 50 HA GLU 50 5.356 9.287 3.157 362 HB2 GLU 50 HB3 GLU 50 7.472 11.183 2.058 363 HB3 GLU 50 HB2 GLU 50 5.997 10.716 1.194 364 HG2 GLU 50 HG3 GLU 50 4.615 11.702 3.033 365 HG3 GLU 50 HG2 GLU 50 6.088 12.180 3.880 366 H LEU 51 H LEU 51 5.376 7.927 1.411 367 HA LEU 51 HA LEU 51 7.710 6.108 1.285 368 HB2 LEU 51 HB3 LEU 51 5.324 5.252 1.468 369 HB3 LEU 51 HB2 LEU 51 5.030 5.877 -0.136 370 HG LEU 51 HG LEU 51 7.031 4.360 -0.931 371 HD11 LEU 51 HD11 LEU 51 6.543 3.139 1.800 372 HD12 LEU 51 HD12 LEU 51 8.061 3.778 1.183 373 HD13 LEU 51 HD13 LEU 51 7.393 2.321 0.488 374 HD21 LEU 51 HD21 LEU 51 4.494 3.019 0.083 375 HD22 LEU 51 HD22 LEU 51 5.582 2.380 -1.158 376 HD23 LEU 51 HD23 LEU 51 4.671 3.836 -1.464 377 H THR 52 H THR 52 9.220 6.374 -0.178 378 HA THR 52 HA THR 52 8.985 8.155 -2.425 379 HB THR 52 HB THR 52 11.059 8.081 -1.104 380 HG1 THR 52 HG1 THR 52 12.399 8.038 -2.820 381 HG21 THR 52 HG21 THR 52 12.531 6.097 -1.142 382 HG22 THR 52 HG22 THR 52 11.340 5.203 -2.069 383 HG23 THR 52 HG23 THR 52 10.984 5.677 -0.411 384 H GLU 53 H GLU 53 10.214 7.317 -4.328 385 HA GLU 53 HA GLU 53 8.367 5.524 -5.629 386 HB2 GLU 53 HB3 GLU 53 10.879 6.867 -6.722 387 HB3 GLU 53 HB2 GLU 53 9.682 6.000 -7.697 388 HG2 GLU 53 HG3 GLU 53 7.918 7.621 -6.945 389 HG3 GLU 53 HG2 GLU 53 9.134 8.501 -6.016 390 H HIS 54 H HIS 54 11.881 5.453 -5.050 391 HA HIS 54 HA HIS 54 12.420 3.007 -6.262 392 HB2 HIS 54 HB3 HIS 54 14.198 4.512 -5.367 393 HB3 HIS 54 HB2 HIS 54 13.773 4.046 -3.723 394 HD2 HIS 54 HD2 HIS 54 15.326 1.920 -2.856 395 HE1 HIS 54 HE1 HIS 54 16.229 0.236 -6.621 396 HE2 HIS 54 HE2 HIS 54 16.598 0.021 -4.118 397 H GLU 55 H GLU 55 11.649 3.424 -2.705 398 HA GLU 55 HA GLU 55 11.454 0.701 -2.123 399 HB2 GLU 55 HB3 GLU 55 9.925 3.077 -0.948 400 HB3 GLU 55 HB2 GLU 55 10.039 1.481 -0.191 401 HG2 GLU 55 HG3 GLU 55 12.512 1.720 -0.034 402 HG3 GLU 55 HG2 GLU 55 12.422 3.295 -0.821 403 H HIS 56 H HIS 56 8.835 3.002 -3.097 404 HA HIS 56 HA HIS 56 6.740 1.123 -3.045 405 HB2 HIS 56 HB3 HIS 56 6.441 3.601 -3.184 406 HB3 HIS 56 HB2 HIS 56 6.970 3.576 -4.844 407 HD2 HIS 56 HD2 HIS 56 4.973 2.839 -6.678 408 HE1 HIS 56 HE1 HIS 56 2.042 1.717 -3.853 409 HE2 HIS 56 HE2 HIS 56 2.506 2.060 -6.326 410 H GLN 57 H GLN 57 8.639 2.212 -5.980 411 HA GLN 57 HA GLN 57 7.324 0.543 -7.810 412 HB2 GLN 57 HB3 GLN 57 9.957 1.998 -7.746 413 HB3 GLN 57 HB2 GLN 57 9.776 0.784 -8.996 414 HG2 GLN 57 HG3 GLN 57 9.085 3.147 -9.682 415 HG3 GLN 57 HG2 GLN 57 7.884 1.910 -9.982 416 HE21 GLN 57 HE21 GLN 57 8.573 3.617 -6.918 417 HE22 GLN 57 HE22 GLN 57 7.035 4.280 -6.748 418 H GLN 58 H GLN 58 10.130 -0.214 -5.734 419 HA GLN 58 HA GLN 58 10.737 -2.760 -6.890 420 HB2 GLN 58 HB3 GLN 58 11.213 -1.516 -4.149 421 HB3 GLN 58 HB2 GLN 58 11.788 -3.144 -4.518 422 HG2 GLN 58 HG3 GLN 58 13.176 -2.287 -6.368 423 HG3 GLN 58 HG2 GLN 58 12.553 -0.664 -6.140 424 HE21 GLN 58 HE21 GLN 58 15.208 -2.565 -5.388 425 HE22 GLN 58 HE22 GLN 58 15.741 -1.743 -4.002 426 H MET 59 H MET 59 8.822 -1.950 -3.918 427 HA MET 59 HA MET 59 7.898 -4.586 -3.494 428 HB2 MET 59 HB3 MET 59 6.521 -1.992 -2.669 429 HB3 MET 59 HB2 MET 59 6.298 -3.600 -1.967 430 HG2 MET 59 HG3 MET 59 8.928 -2.132 -1.943 431 HG3 MET 59 HG2 MET 59 7.798 -2.095 -0.616 432 HE1 MET 59 HE1 MET 59 10.857 -5.289 -1.550 433 HE2 MET 59 HE2 MET 59 11.054 -3.556 -1.313 434 HE3 MET 59 HE3 MET 59 10.226 -4.150 -2.751 435 H ARG 60 H ARG 60 6.676 -1.887 -5.457 436 HA ARG 60 HA ARG 60 4.085 -2.905 -5.957 437 HB2 ARG 60 HB3 ARG 60 4.973 -0.638 -6.637 438 HB3 ARG 60 HB2 ARG 60 5.877 -1.415 -7.935 439 HG2 ARG 60 HG3 ARG 60 3.708 -2.276 -8.870 440 HG3 ARG 60 HG2 ARG 60 2.854 -1.423 -7.583 441 HD2 ARG 60 HD3 ARG 60 2.816 -0.072 -9.615 442 HD3 ARG 60 HD2 ARG 60 3.854 0.723 -8.428 443 HE ARG 60 HE ARG 60 5.416 -0.987 -10.069 444 HH11 ARG 60 HH21 ARG 60 3.653 2.023 -10.230 445 HH12 ARG 60 HH22 ARG 60 4.625 2.664 -11.512 446 HH21 ARG 60 HH11 ARG 60 6.663 -0.124 -11.745 447 HH22 ARG 60 HH12 ARG 60 6.317 1.455 -12.365 448 H ASP 61 H ASP 61 7.149 -3.461 -7.915 449 HA ASP 61 HA ASP 61 6.042 -5.220 -9.768 450 HB2 ASP 61 HB3 ASP 61 8.298 -4.153 -9.917 451 HB3 ASP 61 HB2 ASP 61 8.872 -5.185 -8.613 452 H ASP 62 H ASP 62 7.241 -5.739 -6.528 453 HA ASP 62 HA ASP 62 7.207 -8.634 -6.567 454 HB2 ASP 62 HB3 ASP 62 7.050 -6.786 -4.146 455 HB3 ASP 62 HB2 ASP 62 7.479 -8.487 -4.136 456 H LEU 63 H LEU 63 4.911 -6.072 -5.622 457 HA LEU 63 HA LEU 63 2.932 -7.686 -4.467 458 HB2 LEU 63 HB3 LEU 63 2.993 -5.153 -4.379 459 HB3 LEU 63 HB2 LEU 63 2.496 -5.113 -6.059 460 HG LEU 63 HG LEU 63 0.368 -6.341 -5.430 461 HD11 LEU 63 HD11 LEU 63 -0.132 -6.150 -2.808 462 HD12 LEU 63 HD12 LEU 63 1.620 -6.294 -2.674 463 HD13 LEU 63 HD13 LEU 63 0.685 -7.548 -3.478 464 HD21 LEU 63 HD21 LEU 63 -0.704 -4.370 -4.308 465 HD22 LEU 63 HD22 LEU 63 0.317 -3.926 -5.672 466 HD23 LEU 63 HD23 LEU 63 0.902 -3.690 -4.032 467 H GLU 64 H GLU 64 3.277 -6.552 -7.868 468 HA GLU 64 HA GLU 64 0.963 -7.804 -8.905 469 HB2 GLU 64 HB3 GLU 64 3.664 -7.284 -10.225 470 HB3 GLU 64 HB2 GLU 64 2.195 -7.711 -11.110 471 HG2 GLU 64 HG3 GLU 64 1.067 -5.659 -10.253 472 HG3 GLU 64 HG2 GLU 64 2.512 -5.229 -9.346 473 H LYS 65 H LYS 65 4.283 -9.104 -8.538 474 HA LYS 65 HA LYS 65 3.867 -11.621 -9.677 475 HB2 LYS 65 HB3 LYS 65 6.072 -10.421 -8.877 476 HB3 LYS 65 HB2 LYS 65 5.718 -11.091 -7.292 477 HG2 LYS 65 HG3 LYS 65 7.099 -12.809 -8.179 478 HG3 LYS 65 HG2 LYS 65 5.508 -13.421 -8.632 479 HD2 LYS 65 HD3 LYS 65 5.825 -12.246 -10.914 480 HD3 LYS 65 HD2 LYS 65 7.472 -11.886 -10.420 481 HE2 LYS 65 HE3 LYS 65 7.894 -14.331 -10.143 482 HE3 LYS 65 HE2 LYS 65 6.249 -14.653 -10.699 483 HZ1 LYS 65 HZ1 LYS 65 6.824 -14.292 -12.807 484 HZ2 LYS 65 HZ2 LYS 65 8.439 -14.401 -12.288 485 HZ3 LYS 65 HZ3 LYS 65 7.690 -12.884 -12.431 486 H GLU 66 H GLU 66 3.404 -10.525 -6.329 487 HA GLU 66 HA GLU 66 2.744 -13.080 -5.198 488 HB2 GLU 66 HB3 GLU 66 2.167 -10.220 -4.307 489 HB3 GLU 66 HB2 GLU 66 1.717 -11.621 -3.331 490 HG2 GLU 66 HG3 GLU 66 4.080 -12.319 -3.176 491 HG3 GLU 66 HG2 GLU 66 4.573 -11.004 -4.221 492 H ARG 67 H ARG 67 0.735 -10.405 -6.498 493 HA ARG 67 HA ARG 67 -1.808 -11.425 -5.910 494 HB2 ARG 67 HB3 ARG 67 -0.833 -9.785 -8.284 495 HB3 ARG 67 HB2 ARG 67 -2.543 -10.164 -8.068 496 HG2 ARG 67 HG3 ARG 67 -2.535 -9.010 -5.862 497 HG3 ARG 67 HG2 ARG 67 -0.829 -8.640 -6.044 498 HD2 ARG 67 HD3 ARG 67 -1.327 -7.302 -8.089 499 HD3 ARG 67 HD2 ARG 67 -3.041 -7.675 -7.910 500 HE ARG 67 HE ARG 67 -2.183 -6.525 -5.497 501 HH11 ARG 67 HH21 ARG 67 -2.515 -5.625 -8.850 502 HH12 ARG 67 HH22 ARG 67 -2.813 -3.955 -8.504 503 HH21 ARG 67 HH11 ARG 67 -2.565 -4.340 -5.072 504 HH22 ARG 67 HH12 ARG 67 -2.847 -3.232 -6.372 505 H GLU 68 H GLU 68 0.267 -12.158 -8.764 506 HA GLU 68 HA GLU 68 -1.592 -13.861 -10.089 507 HB2 GLU 68 HB3 GLU 68 0.480 -12.883 -11.125 508 HB3 GLU 68 HB2 GLU 68 1.468 -13.975 -10.157 509 HG2 GLU 68 HG3 GLU 68 0.365 -15.940 -11.256 510 HG3 GLU 68 HG2 GLU 68 -0.631 -14.847 -12.209 511 H ASP 69 H ASP 69 1.355 -14.869 -8.311 512 HA ASP 69 HA ASP 69 0.769 -17.571 -8.066 513 HB2 ASP 69 HB3 ASP 69 2.240 -15.864 -6.008 514 HB3 ASP 69 HB2 ASP 69 2.365 -17.617 -6.166 515 H LEU 70 H LEU 70 -0.168 -14.959 -5.823 516 HA LEU 70 HA LEU 70 -1.412 -16.504 -3.855 517 HB2 LEU 70 HB3 LEU 70 -0.862 -14.102 -3.527 518 HB3 LEU 70 HB2 LEU 70 -2.060 -13.659 -4.743 519 HG LEU 70 HG LEU 70 -3.875 -14.574 -3.246 520 HD11 LEU 70 HD11 LEU 70 -2.862 -16.273 -1.930 521 HD12 LEU 70 HD12 LEU 70 -3.182 -14.995 -0.778 522 HD13 LEU 70 HD13 LEU 70 -1.546 -15.224 -1.394 523 HD21 LEU 70 HD21 LEU 70 -2.073 -12.523 -1.894 524 HD22 LEU 70 HD22 LEU 70 -3.788 -12.768 -1.552 525 HD23 LEU 70 HD23 LEU 70 -3.286 -12.171 -3.131 526 H ASP 71 H ASP 71 -2.733 -15.163 -6.865 527 HA ASP 71 HA ASP 71 -5.462 -15.740 -6.395 528 HB2 ASP 71 HB3 ASP 71 -4.610 -14.266 -8.234 529 HB3 ASP 71 HB2 ASP 71 -4.001 -15.679 -9.082 530 H LEU 72 H LEU 72 -3.026 -17.611 -8.243 531 HA LEU 72 HA LEU 72 -4.627 -19.915 -8.675 532 HB2 LEU 72 HB3 LEU 72 -1.629 -19.446 -8.610 533 HB3 LEU 72 HB2 LEU 72 -2.332 -20.955 -9.192 534 HG LEU 72 HG LEU 72 -3.012 -18.229 -10.447 535 HD11 LEU 72 HD11 LEU 72 -0.584 -18.622 -10.707 536 HD12 LEU 72 HD12 LEU 72 -1.395 -18.803 -12.258 537 HD13 LEU 72 HD13 LEU 72 -0.893 -20.236 -11.353 538 HD21 LEU 72 HD21 LEU 72 -4.661 -20.007 -10.994 539 HD22 LEU 72 HD22 LEU 72 -3.368 -21.100 -11.465 540 HD23 LEU 72 HD23 LEU 72 -3.704 -19.655 -12.416 541 H ASP 73 H ASP 73 -2.234 -19.106 -6.165 542 HA ASP 73 HA ASP 73 -2.484 -21.650 -4.771 543 HB2 ASP 73 HB3 ASP 73 -1.205 -19.011 -3.903 544 HB3 ASP 73 HB2 ASP 73 -0.991 -20.569 -3.104 545 H HIS 74 H HIS 74 -5.006 -20.453 -5.184 546 HA HIS 74 HA HIS 74 -6.014 -20.351 -2.448 547 HB2 HIS 74 HB3 HIS 74 -5.400 -17.960 -2.930 548 HB3 HIS 74 HB2 HIS 74 -6.468 -17.969 -4.329 549 HD2 HIS 74 HD2 HIS 74 -9.203 -17.627 -3.686 550 HE1 HIS 74 HE1 HIS 74 -8.756 -17.701 0.511 551 HE2 HIS 74 HE2 HIS 74 -10.402 -17.327 -1.385 552 H SER 75 H SER 75 -7.150 -19.368 -5.715 553 HA SER 75 HA SER 75 -8.980 -19.971 -6.956 554 HB2 SER 75 HB3 SER 75 -8.396 -22.662 -5.680 555 HB3 SER 75 HB2 SER 75 -9.516 -22.428 -7.020 556 HG SER 75 HG SER 75 -7.679 -21.397 -8.105 557 H SER 76 H SER 76 -9.720 -22.192 -4.306 558 HA SER 76 HA SER 76 -11.698 -20.497 -3.029 559 HB2 SER 76 HB3 SER 76 -13.661 -21.865 -3.607 560 HB3 SER 76 HB2 SER 76 -12.921 -21.263 -5.092 561 HG SER 76 HG SER 76 -11.821 -23.605 -4.249 562 H LEU 77 H LEU 77 -9.509 -22.993 -3.103 563 HA LEU 77 HA LEU 77 -10.596 -24.850 -1.252 564 HB2 LEU 77 HB3 LEU 77 -7.651 -24.292 -1.823 565 HB3 LEU 77 HB2 LEU 77 -8.310 -25.774 -1.121 566 HG LEU 77 HG LEU 77 -8.813 -24.729 -3.963 567 HD11 LEU 77 HD11 LEU 77 -7.522 -26.727 -4.677 568 HD12 LEU 77 HD12 LEU 77 -7.268 -27.179 -2.989 569 HD13 LEU 77 HD13 LEU 77 -6.548 -25.698 -3.628 570 HD21 LEU 77 HD21 LEU 77 -10.836 -25.871 -3.435 571 HD22 LEU 77 HD22 LEU 77 -10.020 -27.117 -2.487 572 HD23 LEU 77 HD23 LEU 77 -9.892 -27.108 -4.245 573 HA PRO 78 HA PRO 78 -9.932 -22.485 2.562 574 HB2 PRO 78 HB3 PRO 78 -10.043 -24.416 4.499 575 HB3 PRO 78 HB2 PRO 78 -11.480 -24.030 3.516 576 HG2 PRO 78 HG3 PRO 78 -9.460 -26.249 3.072 577 HG3 PRO 78 HG2 PRO 78 -11.236 -26.374 3.163 578 HD2 PRO 78 HD2 PRO 78 -9.997 -26.210 0.732 579 HD3 PRO 78 HD3 PRO 78 -11.550 -25.377 1.002 Start of MODEL 14 1 H1 ASN 1 1H ASN 1 -12.532 -10.829 -3.873 2 H2 ASN 1 2H ASN 1 -13.617 -10.561 -2.595 3 H3 ASN 1 3H ASN 1 -12.011 -10.020 -2.477 4 HA ASN 1 HA ASN 1 -14.172 -8.993 -4.216 5 HB2 ASN 1 HB3 ASN 1 -14.016 -8.169 -1.850 6 HB3 ASN 1 HB2 ASN 1 -12.364 -7.638 -2.155 7 HD21 ASN 1 HD21 ASN 1 -12.548 -5.351 -2.202 8 HD22 ASN 1 HD22 ASN 1 -13.650 -4.502 -3.174 9 H THR 2 H THR 2 -12.093 -10.336 -5.471 10 HA THR 2 HA THR 2 -9.844 -8.776 -6.201 11 HB THR 2 HB THR 2 -9.615 -10.343 -8.100 12 HG1 THR 2 HG1 THR 2 -11.880 -10.333 -8.594 13 HG21 THR 2 HG21 THR 2 -10.677 -11.774 -5.623 14 HG22 THR 2 HG22 THR 2 -9.023 -11.190 -5.816 15 HG23 THR 2 HG23 THR 2 -9.630 -12.478 -6.856 16 H VAL 3 H VAL 3 -13.114 -8.282 -6.861 17 HA VAL 3 HA VAL 3 -13.057 -7.207 -9.509 18 HB VAL 3 HB VAL 3 -14.932 -6.524 -7.185 19 HG11 VAL 3 HG11 VAL 3 -15.148 -4.865 -9.022 20 HG12 VAL 3 HG12 VAL 3 -16.551 -5.925 -9.037 21 HG13 VAL 3 HG13 VAL 3 -15.256 -6.163 -10.211 22 HG21 VAL 3 HG21 VAL 3 -14.891 -8.969 -7.674 23 HG22 VAL 3 HG22 VAL 3 -15.181 -8.642 -9.384 24 HG23 VAL 3 HG23 VAL 3 -16.425 -8.262 -8.193 25 H ASP 4 H ASP 4 -12.693 -5.715 -6.280 26 HA ASP 4 HA ASP 4 -12.281 -3.033 -7.335 27 HB2 ASP 4 HB3 ASP 4 -13.269 -3.436 -5.082 28 HB3 ASP 4 HB2 ASP 4 -11.764 -4.164 -4.540 29 H ASP 5 H ASP 5 -10.419 -2.414 -8.275 30 HA ASP 5 HA ASP 5 -7.985 -3.962 -8.180 31 HB2 ASP 5 HB3 ASP 5 -8.551 -1.159 -9.252 32 HB3 ASP 5 HB2 ASP 5 -7.092 -2.098 -9.579 33 H ILE 6 H ILE 6 -7.601 -4.017 -5.882 34 HA ILE 6 HA ILE 6 -7.253 -1.743 -4.212 35 HB ILE 6 HB ILE 6 -7.515 -4.034 -3.321 36 HG12 ILE 6 HG13 ILE 6 -4.786 -2.895 -2.489 37 HG13 ILE 6 HG12 ILE 6 -6.328 -2.260 -1.926 38 HG21 ILE 6 HG21 ILE 6 -4.685 -4.576 -4.340 39 HG22 ILE 6 HG22 ILE 6 -6.152 -5.211 -5.084 40 HG23 ILE 6 HG23 ILE 6 -5.714 -5.705 -3.457 41 HD11 ILE 6 HD11 ILE 6 -6.855 -4.494 -0.938 42 HD12 ILE 6 HD12 ILE 6 -5.387 -3.787 -0.262 43 HD13 ILE 6 HD13 ILE 6 -5.273 -5.071 -1.454 44 H SER 7 H SER 7 -5.074 -3.387 -6.427 45 HA SER 7 HA SER 7 -2.631 -2.162 -5.661 46 HB2 SER 7 HB3 SER 7 -1.821 -2.933 -7.864 47 HB3 SER 7 HB2 SER 7 -2.808 -4.181 -7.115 48 HG SER 7 HG SER 7 -3.164 -3.321 -9.455 49 H GLU 8 H GLU 8 -5.416 -0.851 -7.202 50 HA GLU 8 HA GLU 8 -4.130 1.132 -8.852 51 HB2 GLU 8 HB3 GLU 8 -6.513 0.316 -9.138 52 HB3 GLU 8 HB2 GLU 8 -6.952 1.203 -7.680 53 HG2 GLU 8 HG3 GLU 8 -6.191 3.335 -8.755 54 HG3 GLU 8 HG2 GLU 8 -5.771 2.444 -10.216 55 H SER 9 H SER 9 -5.305 1.005 -5.499 56 HA SER 9 HA SER 9 -5.130 3.755 -4.873 57 HB2 SER 9 HB3 SER 9 -5.023 2.985 -2.498 58 HB3 SER 9 HB2 SER 9 -6.262 2.121 -3.410 59 HG SER 9 HG SER 9 -5.241 0.406 -2.804 60 H LEU 10 H LEU 10 -2.670 1.138 -4.466 61 HA LEU 10 HA LEU 10 -0.634 2.831 -3.407 62 HB2 LEU 10 HB3 LEU 10 -0.651 0.131 -4.821 63 HB3 LEU 10 HB2 LEU 10 0.882 0.860 -4.380 64 HG LEU 10 HG LEU 10 0.109 -0.751 -2.647 65 HD11 LEU 10 HD11 LEU 10 -0.173 1.876 -1.182 66 HD12 LEU 10 HD12 LEU 10 1.313 1.629 -2.087 67 HD13 LEU 10 HD13 LEU 10 0.850 0.482 -0.845 68 HD21 LEU 10 HD21 LEU 10 -2.216 1.130 -2.036 69 HD22 LEU 10 HD22 LEU 10 -1.912 -0.490 -1.423 70 HD23 LEU 10 HD23 LEU 10 -2.407 -0.271 -3.086 71 H ARG 11 H ARG 11 -1.323 1.827 -6.766 72 HA ARG 11 HA ARG 11 0.945 3.188 -7.914 73 HB2 ARG 11 HB3 ARG 11 -1.646 2.135 -9.121 74 HB3 ARG 11 HB2 ARG 11 -0.308 2.761 -10.090 75 HG2 ARG 11 HG3 ARG 11 1.201 1.022 -9.176 76 HG3 ARG 11 HG2 ARG 11 -0.091 0.403 -8.153 77 HD2 ARG 11 HD3 ARG 11 -0.204 0.480 -11.199 78 HD3 ARG 11 HD2 ARG 11 0.195 -0.954 -10.245 79 HE ARG 11 HE ARG 11 -2.261 0.052 -9.306 80 HH11 ARG 11 HH21 ARG 11 -0.917 -1.383 -12.177 81 HH12 ARG 11 HH22 ARG 11 -2.413 -2.100 -12.677 82 HH21 ARG 11 HH11 ARG 11 -4.208 -0.884 -9.974 83 HH22 ARG 11 HH12 ARG 11 -4.270 -1.817 -11.432 84 H GLN 12 H GLN 12 -2.554 3.940 -7.923 85 HA GLN 12 HA GLN 12 -2.121 6.566 -9.054 86 HB2 GLN 12 HB3 GLN 12 -4.190 5.030 -9.405 87 HB3 GLN 12 HB2 GLN 12 -4.713 5.517 -7.797 88 HG2 GLN 12 HG3 GLN 12 -5.818 7.003 -9.397 89 HG3 GLN 12 HG2 GLN 12 -4.579 7.957 -8.583 90 HE21 GLN 12 HE21 GLN 12 -4.582 5.692 -11.411 91 HE22 GLN 12 HE22 GLN 12 -3.738 6.747 -12.439 92 H GLY 13 H GLY 13 -2.288 8.546 -8.024 93 HA2 GLY 13 HA3 GLY 13 -2.292 10.102 -6.331 94 HA3 GLY 13 HA2 GLY 13 -3.121 8.928 -5.308 95 H GLY 14 H GLY 14 -0.171 7.883 -6.774 96 HA2 GLY 14 HA3 GLY 14 1.105 7.308 -4.312 97 HA3 GLY 14 HA2 GLY 14 1.880 7.311 -5.892 98 H GLY 15 H GLY 15 3.516 8.779 -6.115 99 HA2 GLY 15 HA3 GLY 15 4.915 10.562 -5.725 100 HA3 GLY 15 HA2 GLY 15 3.443 11.508 -5.593 101 H LYS 16 H LYS 16 2.340 11.484 -3.450 102 HA LYS 16 HA LYS 16 4.209 11.155 -1.146 103 HB2 LYS 16 HB3 LYS 16 3.563 13.590 -1.773 104 HB3 LYS 16 HB2 LYS 16 1.926 13.191 -1.253 105 HG2 LYS 16 HG3 LYS 16 2.768 12.580 0.999 106 HG3 LYS 16 HG2 LYS 16 4.425 12.927 0.493 107 HD2 LYS 16 HD3 LYS 16 3.795 15.313 0.071 108 HD3 LYS 16 HD2 LYS 16 2.149 14.966 0.618 109 HE2 LYS 16 HE3 LYS 16 3.512 15.976 2.450 110 HE3 LYS 16 HE2 LYS 16 3.027 14.330 2.864 111 HZ1 LYS 16 HZ1 LYS 16 5.552 15.235 2.950 112 HZ2 LYS 16 HZ2 LYS 16 5.517 14.528 1.405 113 HZ3 LYS 16 HZ3 LYS 16 5.129 13.603 2.777 114 H LEU 17 H LEU 17 3.457 9.835 0.374 115 HA LEU 17 HA LEU 17 0.575 9.399 0.802 116 HB2 LEU 17 HB3 LEU 17 2.457 7.364 -0.377 117 HB3 LEU 17 HB2 LEU 17 1.376 6.743 0.868 118 HG LEU 17 HG LEU 17 0.453 8.229 -1.641 119 HD11 LEU 17 HD11 LEU 17 -0.306 6.010 -2.437 120 HD12 LEU 17 HD12 LEU 17 0.388 5.252 -1.007 121 HD13 LEU 17 HD13 LEU 17 1.447 6.017 -2.194 122 HD21 LEU 17 HD21 LEU 17 -1.490 8.479 -0.442 123 HD22 LEU 17 HD22 LEU 17 -0.988 7.400 0.849 124 HD23 LEU 17 HD23 LEU 17 -1.741 6.751 -0.610 125 H ASN 18 H ASN 18 0.150 9.237 2.856 126 HA ASN 18 HA ASN 18 2.231 8.418 4.848 127 HB2 ASN 18 HB3 ASN 18 2.065 10.843 5.013 128 HB3 ASN 18 HB2 ASN 18 0.313 10.775 4.925 129 HD21 ASN 18 HD21 ASN 18 -0.867 10.268 6.853 130 HD22 ASN 18 HD22 ASN 18 -0.123 10.107 8.360 131 H PHE 19 H PHE 19 1.484 7.052 6.364 132 HA PHE 19 HA PHE 19 -0.310 5.164 6.178 133 HB2 PHE 19 HB3 PHE 19 -0.521 5.001 8.614 134 HB3 PHE 19 HB2 PHE 19 1.130 5.423 8.152 135 HD1 PHE 19 HD1 PHE 19 -2.030 6.718 9.649 136 HD2 PHE 19 HD2 PHE 19 2.045 7.706 8.595 137 HE1 PHE 19 HE1 PHE 19 -2.162 8.777 11.027 138 HE2 PHE 19 HE2 PHE 19 1.901 9.752 9.988 139 HZ PHE 19 HZ PHE 19 -0.200 10.291 11.200 140 H ASP 20 H ASP 20 -1.272 8.455 7.076 141 HA ASP 20 HA ASP 20 -4.040 7.859 7.653 142 HB2 ASP 20 HB3 ASP 20 -2.696 9.834 8.524 143 HB3 ASP 20 HB2 ASP 20 -2.770 10.548 6.923 144 H GLU 21 H GLU 21 -2.349 9.328 4.902 145 HA GLU 21 HA GLU 21 -4.577 9.900 3.301 146 HB2 GLU 21 HB3 GLU 21 -1.752 9.158 2.460 147 HB3 GLU 21 HB2 GLU 21 -2.928 9.906 1.373 148 HG2 GLU 21 HG3 GLU 21 -1.948 11.162 3.984 149 HG3 GLU 21 HG2 GLU 21 -1.297 11.551 2.394 150 H LEU 22 H LEU 22 -2.626 7.027 3.331 151 HA LEU 22 HA LEU 22 -4.235 5.710 1.229 152 HB2 LEU 22 HB3 LEU 22 -2.810 3.719 1.707 153 HB3 LEU 22 HB2 LEU 22 -1.896 5.170 1.327 154 HG LEU 22 HG LEU 22 -2.033 5.387 4.134 155 HD11 LEU 22 HD11 LEU 22 -1.756 3.352 5.187 156 HD12 LEU 22 HD12 LEU 22 -1.471 2.468 3.683 157 HD13 LEU 22 HD13 LEU 22 -3.082 3.011 4.081 158 HD21 LEU 22 HD21 LEU 22 0.357 4.501 4.085 159 HD22 LEU 22 HD22 LEU 22 0.030 5.771 2.933 160 HD23 LEU 22 HD23 LEU 22 0.115 4.102 2.387 161 H ARG 23 H ARG 23 -3.853 5.247 4.762 162 HA ARG 23 HA ARG 23 -5.589 3.030 5.008 163 HB2 ARG 23 HB3 ARG 23 -3.987 3.813 6.728 164 HB3 ARG 23 HB2 ARG 23 -5.034 5.196 7.060 165 HG2 ARG 23 HG3 ARG 23 -6.815 3.011 7.383 166 HG3 ARG 23 HG2 ARG 23 -5.292 2.344 7.955 167 HD2 ARG 23 HD3 ARG 23 -6.523 4.914 8.954 168 HD3 ARG 23 HD2 ARG 23 -6.590 3.357 9.794 169 HE ARG 23 HE ARG 23 -3.884 3.951 9.231 170 HH11 ARG 23 HH21 ARG 23 -6.513 5.084 11.214 171 HH12 ARG 23 HH22 ARG 23 -5.477 5.732 12.441 172 HH21 ARG 23 HH11 ARG 23 -2.548 4.802 10.834 173 HH22 ARG 23 HH12 ARG 23 -3.234 5.573 12.224 174 H GLN 24 H GLN 24 -6.319 6.458 5.535 175 HA GLN 24 HA GLN 24 -9.042 6.232 6.163 176 HB2 GLN 24 HB3 GLN 24 -7.531 8.505 4.818 177 HB3 GLN 24 HB2 GLN 24 -9.109 8.669 5.592 178 HG2 GLN 24 HG3 GLN 24 -6.769 7.497 7.156 179 HG3 GLN 24 HG2 GLN 24 -6.931 9.240 6.992 180 HE21 GLN 24 HE21 GLN 24 -7.518 6.978 9.223 181 HE22 GLN 24 HE22 GLN 24 -8.955 7.563 9.910 182 H ASP 25 H ASP 25 -7.404 6.318 3.003 183 HA ASP 25 HA ASP 25 -9.777 6.777 1.465 184 HB2 ASP 25 HB3 ASP 25 -7.465 7.409 0.741 185 HB3 ASP 25 HB2 ASP 25 -7.015 5.707 0.716 186 H LEU 26 H LEU 26 -7.627 4.068 2.314 187 HA LEU 26 HA LEU 26 -9.037 2.057 0.842 188 HB2 LEU 26 HB3 LEU 26 -7.203 1.730 3.237 189 HB3 LEU 26 HB2 LEU 26 -7.786 0.393 2.255 190 HG LEU 26 HG LEU 26 -6.260 2.667 0.892 191 HD11 LEU 26 HD11 LEU 26 -4.142 1.376 1.189 192 HD12 LEU 26 HD12 LEU 26 -4.994 0.225 2.220 193 HD13 LEU 26 HD13 LEU 26 -4.798 1.890 2.746 194 HD21 LEU 26 HD21 LEU 26 -7.440 0.973 -0.529 195 HD22 LEU 26 HD22 LEU 26 -6.496 -0.291 0.227 196 HD23 LEU 26 HD23 LEU 26 -5.696 0.926 -0.750 197 H LYS 27 H LYS 27 -9.540 3.358 4.014 198 HA LYS 27 HA LYS 27 -11.149 1.287 5.140 199 HB2 LYS 27 HB3 LYS 27 -10.291 3.273 6.366 200 HB3 LYS 27 HB2 LYS 27 -11.404 4.295 5.457 201 HG2 LYS 27 HG3 LYS 27 -13.352 3.171 6.471 202 HG3 LYS 27 HG2 LYS 27 -12.311 1.977 7.247 203 HD2 LYS 27 HD3 LYS 27 -13.033 3.705 8.874 204 HD3 LYS 27 HD2 LYS 27 -11.285 3.757 8.646 205 HE2 LYS 27 HE3 LYS 27 -11.403 5.800 7.361 206 HE3 LYS 27 HE2 LYS 27 -13.135 5.599 7.052 207 HZ1 LYS 27 HZ1 LYS 27 -12.276 5.742 9.831 208 HZ2 LYS 27 HZ2 LYS 27 -13.691 6.324 9.093 209 HZ3 LYS 27 HZ3 LYS 27 -12.228 7.174 8.926 210 H GLY 28 H GLY 28 -12.030 4.037 3.050 211 HA2 GLY 28 HA3 GLY 28 -14.834 3.587 2.912 212 HA3 GLY 28 HA2 GLY 28 -13.881 4.488 1.740 213 H LYS 29 H LYS 29 -12.142 2.248 1.053 214 HA LYS 29 HA LYS 29 -13.697 1.054 -1.042 215 HB2 LYS 29 HB3 LYS 29 -10.924 0.253 -0.042 216 HB3 LYS 29 HB2 LYS 29 -11.609 -0.070 -1.635 217 HG2 LYS 29 HG3 LYS 29 -11.044 2.721 -0.574 218 HG3 LYS 29 HG2 LYS 29 -9.950 1.829 -1.614 219 HD2 LYS 29 HD3 LYS 29 -11.737 1.723 -3.369 220 HD3 LYS 29 HD2 LYS 29 -12.793 2.681 -2.345 221 HE2 LYS 29 HE3 LYS 29 -11.193 4.559 -2.399 222 HE3 LYS 29 HE2 LYS 29 -10.116 3.607 -3.428 223 HZ1 LYS 29 HZ1 LYS 29 -12.883 3.777 -4.292 224 HZ2 LYS 29 HZ2 LYS 29 -11.451 3.837 -5.205 225 HZ3 LYS 29 HZ3 LYS 29 -11.996 5.221 -4.382 226 H GLY 30 H GLY 30 -13.949 0.399 2.054 227 HA2 GLY 30 HA3 GLY 30 -14.918 -1.322 3.234 228 HA3 GLY 30 HA2 GLY 30 -15.215 -2.118 1.693 229 H HIS 31 H HIS 31 -11.877 -1.253 2.468 230 HA HIS 31 HA HIS 31 -11.076 -4.010 2.346 231 HB2 HIS 31 HB3 HIS 31 -9.630 -1.397 2.923 232 HB3 HIS 31 HB2 HIS 31 -8.816 -2.962 2.929 233 HD2 HIS 31 HD2 HIS 31 -7.401 -2.545 0.544 234 HE1 HIS 31 HE1 HIS 31 -10.842 -2.335 -1.889 235 HE2 HIS 31 HE2 HIS 31 -8.290 -2.489 -1.917 236 H THR 32 H THR 32 -9.717 -4.989 4.020 237 HA THR 32 HA THR 32 -11.116 -4.820 6.637 238 HB THR 32 HB THR 32 -10.198 -7.061 7.019 239 HG1 THR 32 HG1 THR 32 -8.455 -7.570 6.026 240 HG21 THR 32 HG21 THR 32 -12.278 -6.858 5.610 241 HG22 THR 32 HG22 THR 32 -11.311 -8.266 5.172 242 HG23 THR 32 HG23 THR 32 -11.263 -6.824 4.164 243 H ASP 33 H ASP 33 -9.838 -5.034 8.599 244 HA ASP 33 HA ASP 33 -7.793 -3.075 8.765 245 HB2 ASP 33 HB3 ASP 33 -7.516 -3.922 11.102 246 HB3 ASP 33 HB2 ASP 33 -9.213 -3.671 10.687 247 H ALA 34 H ALA 34 -7.685 -6.633 8.572 248 HA ALA 34 HA ALA 34 -4.906 -6.955 9.003 249 HB1 ALA 34 HB1 ALA 34 -6.753 -8.632 7.241 250 HB2 ALA 34 HB2 ALA 34 -6.539 -8.835 8.979 251 HB3 ALA 34 HB3 ALA 34 -5.190 -9.150 7.884 252 H GLU 35 H GLU 35 -6.713 -6.585 5.828 253 HA GLU 35 HA GLU 35 -4.378 -6.571 4.257 254 HB2 GLU 35 HB3 GLU 35 -7.149 -5.399 3.818 255 HB3 GLU 35 HB2 GLU 35 -5.946 -5.527 2.533 256 HG2 GLU 35 HG3 GLU 35 -7.014 -7.921 4.119 257 HG3 GLU 35 HG2 GLU 35 -7.624 -7.436 2.543 258 H ILE 36 H ILE 36 -6.316 -3.916 5.501 259 HA ILE 36 HA ILE 36 -4.925 -1.785 4.330 260 HB ILE 36 HB ILE 36 -6.372 -1.885 7.004 261 HG12 ILE 36 HG13 ILE 36 -7.354 -0.698 4.355 262 HG13 ILE 36 HG12 ILE 36 -7.645 -2.352 4.784 263 HG21 ILE 36 HG21 ILE 36 -4.952 0.119 7.072 264 HG22 ILE 36 HG22 ILE 36 -6.586 0.654 6.712 265 HG23 ILE 36 HG23 ILE 36 -5.390 0.559 5.422 266 HD11 ILE 36 HD11 ILE 36 -9.569 -0.917 5.375 267 HD12 ILE 36 HD12 ILE 36 -8.530 0.020 6.439 268 HD13 ILE 36 HD13 ILE 36 -8.857 -1.682 6.797 269 H GLU 37 H GLU 37 -4.396 -3.154 7.637 270 HA GLU 37 HA GLU 37 -2.293 -1.528 8.331 271 HB2 GLU 37 HB3 GLU 37 -1.933 -2.962 10.199 272 HB3 GLU 37 HB2 GLU 37 -3.664 -2.860 9.883 273 HG2 GLU 37 HG3 GLU 37 -3.454 -5.192 10.162 274 HG3 GLU 37 HG2 GLU 37 -3.197 -5.036 8.444 275 H ALA 38 H ALA 38 -2.394 -4.635 6.675 276 HA ALA 38 HA ALA 38 0.392 -5.221 6.727 277 HB1 ALA 38 HB1 ALA 38 -1.800 -6.073 4.795 278 HB2 ALA 38 HB2 ALA 38 -1.334 -6.918 6.269 279 HB3 ALA 38 HB3 ALA 38 -0.210 -6.833 4.915 280 H ILE 39 H ILE 39 -1.712 -3.685 4.275 281 HA ILE 39 HA ILE 39 0.276 -3.392 2.278 282 HB ILE 39 HB ILE 39 -2.416 -2.108 2.806 283 HG12 ILE 39 HG13 ILE 39 -2.758 -2.660 0.306 284 HG13 ILE 39 HG12 ILE 39 -1.141 -3.346 0.306 285 HG21 ILE 39 HG21 ILE 39 -1.200 -0.023 2.294 286 HG22 ILE 39 HG22 ILE 39 -2.225 -0.450 0.943 287 HG23 ILE 39 HG23 ILE 39 -0.483 -0.768 0.867 288 HD11 ILE 39 HD11 ILE 39 -1.991 -4.834 2.284 289 HD12 ILE 39 HD12 ILE 39 -2.571 -5.192 0.655 290 HD13 ILE 39 HD13 ILE 39 -3.593 -4.293 1.765 291 H PHE 40 H PHE 40 -0.643 -1.003 4.769 292 HA PHE 40 HA PHE 40 1.281 0.926 3.844 293 HB2 PHE 40 HB3 PHE 40 0.348 2.352 5.375 294 HB3 PHE 40 HB2 PHE 40 -0.890 1.115 5.501 295 HD1 PHE 40 HD1 PHE 40 -0.867 -0.462 7.316 296 HD2 PHE 40 HD2 PHE 40 2.002 2.675 7.196 297 HE1 PHE 40 HE1 PHE 40 -0.348 -0.939 9.689 298 HE2 PHE 40 HE2 PHE 40 2.523 2.279 9.566 299 HZ PHE 40 HZ PHE 40 1.386 0.457 10.836 300 H THR 41 H THR 41 1.264 -1.640 6.325 301 HA THR 41 HA THR 41 3.669 -0.948 7.596 302 HB THR 41 HB THR 41 2.176 -3.541 7.143 303 HG1 THR 41 HG1 THR 41 1.213 -2.933 8.895 304 HG21 THR 41 HG21 THR 41 3.536 -4.379 9.117 305 HG22 THR 41 HG22 THR 41 4.681 -3.085 8.789 306 HG23 THR 41 HG23 THR 41 4.390 -4.339 7.580 307 H LYS 42 H LYS 42 3.162 -3.063 4.783 308 HA LYS 42 HA LYS 42 5.949 -3.733 4.429 309 HB2 LYS 42 HB3 LYS 42 3.468 -3.894 2.687 310 HB3 LYS 42 HB2 LYS 42 5.025 -4.547 2.160 311 HG2 LYS 42 HG3 LYS 42 5.058 -6.014 4.218 312 HG3 LYS 42 HG2 LYS 42 3.447 -5.435 4.631 313 HD2 LYS 42 HD3 LYS 42 4.160 -6.906 2.043 314 HD3 LYS 42 HD2 LYS 42 3.439 -7.667 3.456 315 HE2 LYS 42 HE3 LYS 42 1.477 -6.032 3.220 316 HE3 LYS 42 HE2 LYS 42 2.140 -5.587 1.648 317 HZ1 LYS 42 HZ1 LYS 42 0.475 -7.346 1.535 318 HZ2 LYS 42 HZ2 LYS 42 1.471 -8.344 2.483 319 HZ3 LYS 42 HZ3 LYS 42 1.986 -7.843 0.943 320 H TYR 43 H TYR 43 3.742 -1.512 2.656 321 HA TYR 43 HA TYR 43 5.803 -0.466 0.964 322 HB2 TYR 43 HB3 TYR 43 2.998 0.450 1.579 323 HB3 TYR 43 HB2 TYR 43 4.060 1.404 0.568 324 HD1 TYR 43 HD1 TYR 43 2.965 -2.201 0.884 325 HD2 TYR 43 HD2 TYR 43 3.899 1.062 -1.799 326 HE1 TYR 43 HE1 TYR 43 2.330 -3.582 -1.052 327 HE2 TYR 43 HE2 TYR 43 3.267 -0.361 -3.715 328 HH TYR 43 HH TYR 43 3.132 -3.410 -3.769 329 H ASP 44 H ASP 44 4.656 0.484 4.139 330 HA ASP 44 HA ASP 44 6.572 2.773 4.140 331 HB2 ASP 44 HB3 ASP 44 4.360 2.595 6.197 332 HB3 ASP 44 HB2 ASP 44 5.058 4.001 5.397 333 H GLN 45 H GLN 45 8.396 1.990 5.001 334 HA GLN 45 HA GLN 45 8.598 -0.242 6.701 335 HB2 GLN 45 HB3 GLN 45 10.513 2.122 6.430 336 HB3 GLN 45 HB2 GLN 45 10.940 0.522 7.058 337 HG2 GLN 45 HG3 GLN 45 9.943 1.088 4.215 338 HG3 GLN 45 HG2 GLN 45 11.615 0.808 4.659 339 HE21 GLN 45 HE21 GLN 45 8.438 -0.765 4.356 340 HE22 GLN 45 HE22 GLN 45 9.037 -2.354 4.381 341 H ASP 46 H ASP 46 8.776 3.311 7.683 342 HA ASP 46 HA ASP 46 8.327 2.473 10.498 343 HB2 ASP 46 HB3 ASP 46 9.385 5.054 9.265 344 HB3 ASP 46 HB2 ASP 46 9.259 4.716 10.994 345 H GLY 47 H GLY 47 6.587 3.519 7.824 346 HA2 GLY 47 HA3 GLY 47 4.585 4.669 7.542 347 HA3 GLY 47 HA2 GLY 47 4.176 3.984 9.084 348 H ASP 48 H ASP 48 6.809 6.238 8.691 349 HA ASP 48 HA ASP 48 5.293 8.351 10.178 350 HB2 ASP 48 HB3 ASP 48 7.109 7.169 11.444 351 HB3 ASP 48 HB2 ASP 48 8.278 7.714 10.248 352 H GLN 49 H GLN 49 6.986 7.589 7.290 353 HA GLN 49 HA GLN 49 7.128 10.480 6.517 354 HB2 GLN 49 HB3 GLN 49 9.189 9.965 5.221 355 HB3 GLN 49 HB2 GLN 49 9.425 9.698 6.948 356 HG2 GLN 49 HG3 GLN 49 8.792 7.463 4.949 357 HG3 GLN 49 HG2 GLN 49 10.405 7.863 5.506 358 HE21 GLN 49 HE21 GLN 49 7.935 5.709 6.091 359 HE22 GLN 49 HE22 GLN 49 8.269 5.342 7.714 360 H GLU 50 H GLU 50 7.536 10.625 4.066 361 HA GLU 50 HA GLU 50 5.263 9.512 2.754 362 HB2 GLU 50 HB3 GLU 50 6.024 10.863 0.819 363 HB3 GLU 50 HB2 GLU 50 5.904 11.819 2.301 364 HG2 GLU 50 HG3 GLU 50 8.362 11.620 2.650 365 HG3 GLU 50 HG2 GLU 50 8.506 10.647 1.191 366 H LEU 51 H LEU 51 5.271 8.137 0.968 367 HA LEU 51 HA LEU 51 7.438 6.124 1.026 368 HB2 LEU 51 HB3 LEU 51 4.994 5.952 -0.808 369 HB3 LEU 51 HB2 LEU 51 5.879 4.654 0.004 370 HG LEU 51 HG LEU 51 4.029 6.669 1.345 371 HD11 LEU 51 HD11 LEU 51 3.721 3.706 0.870 372 HD12 LEU 51 HD12 LEU 51 2.825 4.953 0.048 373 HD13 LEU 51 HD13 LEU 51 2.588 4.687 1.776 374 HD21 LEU 51 HD21 LEU 51 5.904 6.032 2.873 375 HD22 LEU 51 HD22 LEU 51 5.513 4.344 2.603 376 HD23 LEU 51 HD23 LEU 51 4.359 5.391 3.412 377 H THR 52 H THR 52 9.075 6.242 -0.313 378 HA THR 52 HA THR 52 9.129 7.991 -2.596 379 HB THR 52 HB THR 52 11.107 7.808 -1.149 380 HG1 THR 52 HG1 THR 52 12.540 6.887 -2.917 381 HG21 THR 52 HG21 THR 52 11.198 4.881 -1.988 382 HG22 THR 52 HG22 THR 52 10.781 5.448 -0.376 383 HG23 THR 52 HG23 THR 52 12.402 5.706 -1.009 384 H GLU 53 H GLU 53 10.377 7.014 -4.404 385 HA GLU 53 HA GLU 53 8.501 5.311 -5.774 386 HB2 GLU 53 HB3 GLU 53 11.218 6.338 -6.711 387 HB3 GLU 53 HB2 GLU 53 10.001 5.570 -7.741 388 HG2 GLU 53 HG3 GLU 53 8.380 7.406 -7.159 389 HG3 GLU 53 HG2 GLU 53 9.632 8.184 -6.189 390 H HIS 54 H HIS 54 11.952 4.938 -5.006 391 HA HIS 54 HA HIS 54 12.303 2.385 -6.038 392 HB2 HIS 54 HB3 HIS 54 14.171 3.804 -5.157 393 HB3 HIS 54 HB2 HIS 54 13.667 3.437 -3.510 394 HD2 HIS 54 HD2 HIS 54 14.634 1.145 -6.650 395 HE1 HIS 54 HE1 HIS 54 16.149 -0.606 -3.121 396 HE2 HIS 54 HE2 HIS 54 15.972 -0.856 -5.641 397 H GLU 55 H GLU 55 11.466 3.094 -2.554 398 HA GLU 55 HA GLU 55 11.030 0.444 -1.796 399 HB2 GLU 55 HB3 GLU 55 9.711 3.021 -0.831 400 HB3 GLU 55 HB2 GLU 55 9.650 1.482 0.038 401 HG2 GLU 55 HG3 GLU 55 12.127 1.492 0.250 402 HG3 GLU 55 HG2 GLU 55 12.212 3.003 -0.650 403 H HIS 56 H HIS 56 8.653 2.870 -2.979 404 HA HIS 56 HA HIS 56 6.384 1.209 -2.859 405 HB2 HIS 56 HB3 HIS 56 6.271 3.673 -3.091 406 HB3 HIS 56 HB2 HIS 56 6.924 3.564 -4.722 407 HD2 HIS 56 HD2 HIS 56 3.514 3.290 -2.926 408 HE1 HIS 56 HE1 HIS 56 2.919 1.857 -6.850 409 HE2 HIS 56 HE2 HIS 56 1.762 2.529 -4.694 410 H GLN 57 H GLN 57 8.487 1.915 -5.760 411 HA GLN 57 HA GLN 57 7.041 0.252 -7.529 412 HB2 GLN 57 HB3 GLN 57 9.790 1.480 -7.506 413 HB3 GLN 57 HB2 GLN 57 9.514 0.200 -8.670 414 HG2 GLN 57 HG3 GLN 57 9.047 2.586 -9.509 415 HG3 GLN 57 HG2 GLN 57 7.769 1.422 -9.783 416 HE21 GLN 57 HE21 GLN 57 8.501 3.240 -6.798 417 HE22 GLN 57 HE22 GLN 57 7.001 4.000 -6.696 418 H GLN 58 H GLN 58 9.599 -0.544 -5.200 419 HA GLN 58 HA GLN 58 10.168 -3.158 -6.196 420 HB2 GLN 58 HB3 GLN 58 11.543 -1.799 -4.521 421 HB3 GLN 58 HB2 GLN 58 10.368 -2.238 -3.284 422 HG2 GLN 58 HG3 GLN 58 10.852 -4.684 -3.792 423 HG3 GLN 58 HG2 GLN 58 12.095 -4.167 -4.920 424 HE21 GLN 58 HE21 GLN 58 14.020 -4.753 -3.817 425 HE22 GLN 58 HE22 GLN 58 14.400 -4.246 -2.243 426 H MET 59 H MET 59 8.075 -2.098 -3.417 427 HA MET 59 HA MET 59 6.968 -4.646 -2.920 428 HB2 MET 59 HB3 MET 59 5.724 -1.913 -2.395 429 HB3 MET 59 HB2 MET 59 5.278 -3.428 -1.597 430 HG2 MET 59 HG3 MET 59 8.049 -2.197 -1.467 431 HG3 MET 59 HG2 MET 59 6.842 -1.995 -0.251 432 HE1 MET 59 HE1 MET 59 9.250 -4.333 -1.987 433 HE2 MET 59 HE2 MET 59 9.726 -5.379 -0.649 434 HE3 MET 59 HE3 MET 59 9.955 -3.636 -0.527 435 H ARG 60 H ARG 60 6.074 -2.080 -5.146 436 HA ARG 60 HA ARG 60 3.455 -2.963 -5.815 437 HB2 ARG 60 HB3 ARG 60 4.472 -0.828 -6.582 438 HB3 ARG 60 HB2 ARG 60 5.592 -1.735 -7.588 439 HG2 ARG 60 HG3 ARG 60 3.647 -2.655 -8.891 440 HG3 ARG 60 HG2 ARG 60 2.568 -1.680 -7.904 441 HD2 ARG 60 HD3 ARG 60 3.601 0.357 -8.765 442 HD3 ARG 60 HD2 ARG 60 4.814 -0.589 -9.631 443 HE ARG 60 HE ARG 60 2.425 -1.555 -10.542 444 HH11 ARG 60 HH21 ARG 60 3.965 1.571 -10.428 445 HH12 ARG 60 HH22 ARG 60 3.269 2.118 -11.918 446 HH21 ARG 60 HH11 ARG 60 1.527 -0.819 -12.498 447 HH22 ARG 60 HH12 ARG 60 1.893 0.769 -13.080 448 H ASP 61 H ASP 61 6.577 -3.802 -7.421 449 HA ASP 61 HA ASP 61 5.592 -5.672 -9.245 450 HB2 ASP 61 HB3 ASP 61 8.281 -5.488 -7.819 451 HB3 ASP 61 HB2 ASP 61 7.984 -6.525 -9.221 452 H ASP 62 H ASP 62 6.558 -6.019 -5.870 453 HA ASP 62 HA ASP 62 6.408 -8.884 -5.741 454 HB2 ASP 62 HB3 ASP 62 6.103 -6.851 -3.489 455 HB3 ASP 62 HB2 ASP 62 6.460 -8.563 -3.298 456 H LEU 63 H LEU 63 4.129 -6.229 -5.116 457 HA LEU 63 HA LEU 63 2.027 -7.734 -4.026 458 HB2 LEU 63 HB3 LEU 63 2.310 -5.181 -4.151 459 HB3 LEU 63 HB2 LEU 63 1.672 -5.267 -5.780 460 HG LEU 63 HG LEU 63 -0.343 -6.650 -4.548 461 HD11 LEU 63 HD11 LEU 63 -0.791 -5.874 -2.272 462 HD12 LEU 63 HD12 LEU 63 0.639 -4.850 -2.299 463 HD13 LEU 63 HD13 LEU 63 0.821 -6.591 -2.302 464 HD21 LEU 63 HD21 LEU 63 -0.087 -3.615 -4.408 465 HD22 LEU 63 HD22 LEU 63 -1.603 -4.515 -4.259 466 HD23 LEU 63 HD23 LEU 63 -0.700 -4.542 -5.773 467 H GLU 64 H GLU 64 2.610 -6.738 -7.430 468 HA GLU 64 HA GLU 64 0.327 -8.019 -8.557 469 HB2 GLU 64 HB3 GLU 64 3.089 -7.524 -9.743 470 HB3 GLU 64 HB2 GLU 64 1.673 -7.985 -10.691 471 HG2 GLU 64 HG3 GLU 64 0.492 -5.920 -9.960 472 HG3 GLU 64 HG2 GLU 64 1.878 -5.460 -8.979 473 H LYS 65 H LYS 65 3.606 -9.279 -7.964 474 HA LYS 65 HA LYS 65 3.254 -11.874 -9.057 475 HB2 LYS 65 HB3 LYS 65 5.103 -10.760 -6.911 476 HB3 LYS 65 HB2 LYS 65 5.288 -12.396 -7.550 477 HG2 LYS 65 HG3 LYS 65 5.280 -9.973 -9.427 478 HG3 LYS 65 HG2 LYS 65 6.763 -10.477 -8.614 479 HD2 LYS 65 HD3 LYS 65 6.593 -12.725 -9.653 480 HD3 LYS 65 HD2 LYS 65 5.092 -12.278 -10.443 481 HE2 LYS 65 HE3 LYS 65 6.266 -10.498 -11.708 482 HE3 LYS 65 HE2 LYS 65 7.785 -10.955 -10.926 483 HZ1 LYS 65 HZ1 LYS 65 7.022 -11.961 -13.228 484 HZ2 LYS 65 HZ2 LYS 65 6.250 -13.079 -12.205 485 HZ3 LYS 65 HZ3 LYS 65 7.933 -12.853 -12.112 486 H GLU 66 H GLU 66 2.859 -10.692 -5.717 487 HA GLU 66 HA GLU 66 2.175 -13.238 -4.559 488 HB2 GLU 66 HB3 GLU 66 1.756 -10.360 -3.665 489 HB3 GLU 66 HB2 GLU 66 1.274 -11.729 -2.660 490 HG2 GLU 66 HG3 GLU 66 3.607 -12.543 -2.596 491 HG3 GLU 66 HG2 GLU 66 4.123 -11.261 -3.672 492 H ARG 67 H ARG 67 0.259 -10.498 -5.777 493 HA ARG 67 HA ARG 67 -2.309 -11.405 -5.143 494 HB2 ARG 67 HB3 ARG 67 -1.231 -9.661 -7.375 495 HB3 ARG 67 HB2 ARG 67 -2.961 -9.980 -7.271 496 HG2 ARG 67 HG3 ARG 67 -1.458 -8.885 -4.831 497 HG3 ARG 67 HG2 ARG 67 -2.002 -7.791 -6.098 498 HD2 ARG 67 HD3 ARG 67 -3.832 -9.679 -4.551 499 HD3 ARG 67 HD2 ARG 67 -3.666 -7.959 -4.231 500 HE ARG 67 HE ARG 67 -5.173 -9.187 -6.374 501 HH11 ARG 67 HH21 ARG 67 -3.378 -6.370 -5.440 502 HH12 ARG 67 HH22 ARG 67 -4.192 -5.323 -6.554 503 HH21 ARG 67 HH11 ARG 67 -6.210 -7.804 -7.853 504 HH22 ARG 67 HH12 ARG 67 -5.768 -6.132 -7.923 505 H GLU 68 H GLU 68 -0.283 -12.193 -7.941 506 HA GLU 68 HA GLU 68 -2.228 -13.681 -9.407 507 HB2 GLU 68 HB3 GLU 68 -0.034 -12.850 -10.319 508 HB3 GLU 68 HB2 GLU 68 0.801 -14.083 -9.377 509 HG2 GLU 68 HG3 GLU 68 -0.464 -15.869 -10.606 510 HG3 GLU 68 HG2 GLU 68 -1.296 -14.630 -11.541 511 H ASP 69 H ASP 69 0.562 -14.993 -7.532 512 HA ASP 69 HA ASP 69 -0.334 -17.648 -7.411 513 HB2 ASP 69 HB3 ASP 69 1.975 -16.928 -6.806 514 HB3 ASP 69 HB2 ASP 69 1.359 -16.172 -5.339 515 H LEU 70 H LEU 70 -1.021 -14.959 -5.160 516 HA LEU 70 HA LEU 70 -2.363 -16.426 -3.180 517 HB2 LEU 70 HB3 LEU 70 -1.587 -14.102 -2.843 518 HB3 LEU 70 HB2 LEU 70 -2.752 -13.540 -4.030 519 HG LEU 70 HG LEU 70 -4.627 -14.307 -2.524 520 HD11 LEU 70 HD11 LEU 70 -3.737 -16.102 -1.236 521 HD12 LEU 70 HD12 LEU 70 -3.908 -14.813 -0.060 522 HD13 LEU 70 HD13 LEU 70 -2.322 -15.187 -0.734 523 HD21 LEU 70 HD21 LEU 70 -4.351 -12.554 -0.795 524 HD22 LEU 70 HD22 LEU 70 -3.834 -11.972 -2.377 525 HD23 LEU 70 HD23 LEU 70 -2.631 -12.447 -1.172 526 H ASP 71 H ASP 71 -3.564 -14.919 -6.150 527 HA ASP 71 HA ASP 71 -6.336 -15.264 -5.716 528 HB2 ASP 71 HB3 ASP 71 -5.385 -13.815 -7.509 529 HB3 ASP 71 HB2 ASP 71 -4.826 -15.245 -8.371 530 H LEU 72 H LEU 72 -3.966 -17.351 -7.379 531 HA LEU 72 HA LEU 72 -5.747 -19.444 -8.085 532 HB2 LEU 72 HB3 LEU 72 -2.758 -19.374 -7.572 533 HB3 LEU 72 HB2 LEU 72 -3.570 -20.763 -8.295 534 HG LEU 72 HG LEU 72 -3.680 -17.954 -9.538 535 HD11 LEU 72 HD11 LEU 72 -1.327 -18.706 -9.493 536 HD12 LEU 72 HD12 LEU 72 -1.941 -18.749 -11.143 537 HD13 LEU 72 HD13 LEU 72 -1.781 -20.247 -10.220 538 HD21 LEU 72 HD21 LEU 72 -4.292 -19.261 -11.631 539 HD22 LEU 72 HD22 LEU 72 -5.485 -19.437 -10.367 540 HD23 LEU 72 HD23 LEU 72 -4.329 -20.729 -10.663 541 H ASP 73 H ASP 73 -3.644 -18.983 -5.251 542 HA ASP 73 HA ASP 73 -5.167 -21.091 -3.760 543 HB2 ASP 73 HB3 ASP 73 -3.012 -21.716 -2.652 544 HB3 ASP 73 HB2 ASP 73 -2.978 -22.028 -4.387 545 H HIS 74 H HIS 74 -6.138 -20.236 -2.027 546 HA HIS 74 HA HIS 74 -5.877 -17.572 -1.142 547 HB2 HIS 74 HB3 HIS 74 -7.242 -18.360 0.816 548 HB3 HIS 74 HB2 HIS 74 -7.888 -18.924 -0.725 549 HD2 HIS 74 HD2 HIS 74 -6.433 -20.423 2.550 550 HE1 HIS 74 HE1 HIS 74 -7.022 -23.630 -0.131 551 HE2 HIS 74 HE2 HIS 74 -6.456 -23.019 2.267 552 H SER 75 H SER 75 -4.090 -20.423 -0.383 553 HA SER 75 HA SER 75 -2.054 -18.968 1.054 554 HB2 SER 75 HB3 SER 75 -3.687 -19.224 2.891 555 HB3 SER 75 HB2 SER 75 -3.789 -20.956 2.584 556 HG SER 75 HG SER 75 -1.852 -21.234 3.438 557 H SER 76 H SER 76 -0.141 -20.080 1.009 558 HA SER 76 HA SER 76 0.192 -22.308 -0.718 559 HB2 SER 76 HB3 SER 76 2.001 -20.680 -0.281 560 HB3 SER 76 HB2 SER 76 2.080 -21.197 1.402 561 HG SER 76 HG SER 76 2.580 -23.303 0.613 562 H LEU 77 H LEU 77 0.037 -22.020 2.810 563 HA LEU 77 HA LEU 77 0.708 -24.713 3.371 564 HB2 LEU 77 HB3 LEU 77 -0.518 -22.461 4.971 565 HB3 LEU 77 HB2 LEU 77 -0.417 -24.055 5.704 566 HG LEU 77 HG LEU 77 1.520 -22.525 6.300 567 HD11 LEU 77 HD11 LEU 77 3.278 -24.177 6.081 568 HD12 LEU 77 HD12 LEU 77 2.457 -24.998 4.770 569 HD13 LEU 77 HD13 LEU 77 1.769 -25.026 6.389 570 HD21 LEU 77 HD21 LEU 77 2.424 -22.895 3.405 571 HD22 LEU 77 HD22 LEU 77 3.223 -21.972 4.667 572 HD23 LEU 77 HD23 LEU 77 1.680 -21.424 4.011 573 HA PRO 78 HA PRO 78 -3.274 -26.657 2.574 574 HB2 PRO 78 HB3 PRO 78 -3.073 -28.992 3.988 575 HB3 PRO 78 HB2 PRO 78 -1.990 -28.669 2.608 576 HG2 PRO 78 HG3 PRO 78 -1.442 -28.220 5.558 577 HG3 PRO 78 HG2 PRO 78 -0.443 -29.102 4.373 578 HD2 PRO 78 HD2 PRO 78 0.095 -26.493 4.984 579 HD3 PRO 78 HD3 PRO 78 0.300 -27.103 3.319 Start of MODEL 15 1 H1 ASN 1 1H ASN 1 -18.021 -7.916 -4.715 2 H2 ASN 1 2H ASN 1 -19.585 -7.287 -4.920 3 H3 ASN 1 3H ASN 1 -19.123 -7.953 -3.427 4 HA ASN 1 HA ASN 1 -17.978 -5.509 -4.663 5 HB2 ASN 1 HB3 ASN 1 -19.823 -5.888 -2.255 6 HB3 ASN 1 HB2 ASN 1 -19.136 -4.347 -2.772 7 HD21 ASN 1 HD21 ASN 1 -21.154 -3.343 -3.360 8 HD22 ASN 1 HD22 ASN 1 -22.120 -3.909 -4.636 9 H THR 2 H THR 2 -18.368 -7.053 -1.458 10 HA THR 2 HA THR 2 -15.762 -6.199 -0.524 11 HB THR 2 HB THR 2 -16.355 -7.460 1.519 12 HG1 THR 2 HG1 THR 2 -17.316 -9.256 0.842 13 HG21 THR 2 HG21 THR 2 -17.459 -5.233 1.185 14 HG22 THR 2 HG22 THR 2 -18.492 -6.346 2.082 15 HG23 THR 2 HG23 THR 2 -18.807 -6.038 0.377 16 H VAL 3 H VAL 3 -16.359 -8.347 -2.836 17 HA VAL 3 HA VAL 3 -15.135 -10.794 -2.050 18 HB VAL 3 HB VAL 3 -15.253 -9.525 -4.835 19 HG11 VAL 3 HG11 VAL 3 -13.683 -11.455 -4.781 20 HG12 VAL 3 HG12 VAL 3 -15.143 -11.903 -5.652 21 HG13 VAL 3 HG13 VAL 3 -14.910 -12.448 -3.991 22 HG21 VAL 3 HG21 VAL 3 -17.234 -11.393 -3.435 23 HG22 VAL 3 HG22 VAL 3 -17.354 -10.856 -5.112 24 HG23 VAL 3 HG23 VAL 3 -17.514 -9.688 -3.804 25 H ASP 4 H ASP 4 -13.787 -7.971 -3.795 26 HA ASP 4 HA ASP 4 -11.227 -8.083 -2.517 27 HB2 ASP 4 HB3 ASP 4 -11.001 -10.083 -4.029 28 HB3 ASP 4 HB2 ASP 4 -11.325 -9.063 -5.422 29 H ASP 5 H ASP 5 -10.361 -6.056 -2.668 30 HA ASP 5 HA ASP 5 -10.679 -4.344 -5.025 31 HB2 ASP 5 HB3 ASP 5 -11.888 -3.587 -2.326 32 HB3 ASP 5 HB2 ASP 5 -11.723 -2.484 -3.691 33 H ILE 6 H ILE 6 -8.514 -5.660 -3.504 34 HA ILE 6 HA ILE 6 -7.095 -3.669 -1.960 35 HB ILE 6 HB ILE 6 -5.180 -5.303 -2.156 36 HG12 ILE 6 HG13 ILE 6 -7.144 -7.030 -3.777 37 HG13 ILE 6 HG12 ILE 6 -5.811 -6.149 -4.505 38 HG21 ILE 6 HG21 ILE 6 -6.284 -7.137 -0.857 39 HG22 ILE 6 HG22 ILE 6 -7.864 -6.563 -1.389 40 HG23 ILE 6 HG23 ILE 6 -6.870 -5.559 -0.336 41 HD11 ILE 6 HD11 ILE 6 -5.494 -8.307 -2.388 42 HD12 ILE 6 HD12 ILE 6 -4.189 -7.418 -3.174 43 HD13 ILE 6 HD13 ILE 6 -5.213 -8.498 -4.110 44 H SER 7 H SER 7 -7.561 -4.304 -5.302 45 HA SER 7 HA SER 7 -5.176 -3.316 -6.442 46 HB2 SER 7 HB3 SER 7 -8.010 -3.238 -7.537 47 HB3 SER 7 HB2 SER 7 -6.547 -2.987 -8.492 48 HG SER 7 HG SER 7 -7.643 -5.233 -8.138 49 H GLU 8 H GLU 8 -7.702 -1.723 -4.733 50 HA GLU 8 HA GLU 8 -7.551 0.882 -5.904 51 HB2 GLU 8 HB3 GLU 8 -8.397 -0.019 -3.120 52 HB3 GLU 8 HB2 GLU 8 -8.659 1.609 -3.759 53 HG2 GLU 8 HG3 GLU 8 -10.048 0.672 -5.605 54 HG3 GLU 8 HG2 GLU 8 -9.781 -0.959 -4.995 55 H SER 9 H SER 9 -5.701 -0.735 -3.359 56 HA SER 9 HA SER 9 -4.317 1.522 -2.316 57 HB2 SER 9 HB3 SER 9 -4.435 -0.675 -1.184 58 HB3 SER 9 HB2 SER 9 -3.438 -1.387 -2.444 59 HG SER 9 HG SER 9 -2.594 0.920 -1.048 60 H LEU 10 H LEU 10 -3.556 -0.716 -4.962 61 HA LEU 10 HA LEU 10 -0.919 0.110 -5.540 62 HB2 LEU 10 HB3 LEU 10 -3.136 -1.147 -7.204 63 HB3 LEU 10 HB2 LEU 10 -1.593 -0.748 -7.960 64 HG LEU 10 HG LEU 10 -0.405 -2.221 -6.341 65 HD11 LEU 10 HD11 LEU 10 -1.891 -3.799 -4.905 66 HD12 LEU 10 HD12 LEU 10 -3.182 -2.638 -5.157 67 HD13 LEU 10 HD13 LEU 10 -1.701 -2.147 -4.343 68 HD21 LEU 10 HD21 LEU 10 -1.249 -3.178 -8.501 69 HD22 LEU 10 HD22 LEU 10 -2.746 -3.647 -7.694 70 HD23 LEU 10 HD23 LEU 10 -1.219 -4.385 -7.221 71 H ARG 11 H ARG 11 -4.016 1.594 -6.382 72 HA ARG 11 HA ARG 11 -3.205 3.269 -8.510 73 HB2 ARG 11 HB3 ARG 11 -5.304 3.846 -6.364 74 HB3 ARG 11 HB2 ARG 11 -5.180 4.664 -7.923 75 HG2 ARG 11 HG3 ARG 11 -5.602 2.513 -9.105 76 HG3 ARG 11 HG2 ARG 11 -5.695 1.670 -7.555 77 HD2 ARG 11 HD3 ARG 11 -7.976 2.155 -8.364 78 HD3 ARG 11 HD2 ARG 11 -7.653 3.121 -6.918 79 HE ARG 11 HE ARG 11 -6.911 4.604 -9.215 80 HH11 ARG 11 HH21 ARG 11 -9.779 3.402 -7.619 81 HH12 ARG 11 HH22 ARG 11 -10.776 4.704 -8.177 82 HH21 ARG 11 HH11 ARG 11 -8.223 6.281 -9.909 83 HH22 ARG 11 HH12 ARG 11 -9.897 6.328 -9.468 84 H GLN 12 H GLN 12 -2.979 3.650 -5.005 85 HA GLN 12 HA GLN 12 -2.039 6.369 -4.984 86 HB2 GLN 12 HB3 GLN 12 -1.692 4.141 -2.921 87 HB3 GLN 12 HB2 GLN 12 -1.423 5.855 -2.620 88 HG2 GLN 12 HG3 GLN 12 -4.107 4.630 -3.448 89 HG3 GLN 12 HG2 GLN 12 -3.684 5.089 -1.814 90 HE21 GLN 12 HE21 GLN 12 -5.686 6.188 -4.001 91 HE22 GLN 12 HE22 GLN 12 -5.454 7.865 -3.886 92 H GLY 13 H GLY 13 0.146 7.083 -4.673 93 HA2 GLY 13 HA3 GLY 13 2.560 6.011 -4.464 94 HA3 GLY 13 HA2 GLY 13 2.164 5.416 -6.072 95 H GLY 14 H GLY 14 0.759 8.403 -5.140 96 HA2 GLY 14 HA3 GLY 14 1.958 9.888 -7.275 97 HA3 GLY 14 HA2 GLY 14 0.923 10.524 -6.003 98 H GLY 15 H GLY 15 4.050 8.870 -5.684 99 HA2 GLY 15 HA3 GLY 15 6.091 9.526 -4.899 100 HA3 GLY 15 HA2 GLY 15 5.637 11.195 -5.222 101 H LYS 16 H LYS 16 4.031 12.142 -3.599 102 HA LYS 16 HA LYS 16 4.992 11.569 -0.869 103 HB2 LYS 16 HB3 LYS 16 3.297 13.834 -1.986 104 HB3 LYS 16 HB2 LYS 16 3.822 13.725 -0.297 105 HG2 LYS 16 HG3 LYS 16 5.838 13.706 -2.625 106 HG3 LYS 16 HG2 LYS 16 5.278 15.215 -1.910 107 HD2 LYS 16 HD3 LYS 16 6.162 14.587 0.293 108 HD3 LYS 16 HD2 LYS 16 6.623 12.994 -0.273 109 HE2 LYS 16 HE3 LYS 16 8.227 13.976 -1.845 110 HE3 LYS 16 HE2 LYS 16 7.768 15.599 -1.317 111 HZ1 LYS 16 HZ1 LYS 16 9.770 14.765 -0.204 112 HZ2 LYS 16 HZ2 LYS 16 8.868 13.484 0.453 113 HZ3 LYS 16 HZ3 LYS 16 8.517 15.087 0.893 114 H LEU 17 H LEU 17 3.949 10.246 0.381 115 HA LEU 17 HA LEU 17 1.127 10.564 0.823 116 HB2 LEU 17 HB3 LEU 17 0.400 8.328 0.198 117 HB3 LEU 17 HB2 LEU 17 1.091 9.133 -1.206 118 HG LEU 17 HG LEU 17 3.359 7.824 -0.096 119 HD11 LEU 17 HD11 LEU 17 2.675 5.483 0.350 120 HD12 LEU 17 HD12 LEU 17 1.005 5.934 0.113 121 HD13 LEU 17 HD13 LEU 17 1.886 6.575 1.485 122 HD21 LEU 17 HD21 LEU 17 2.845 7.913 -2.501 123 HD22 LEU 17 HD22 LEU 17 1.520 6.770 -2.281 124 HD23 LEU 17 HD23 LEU 17 3.189 6.255 -2.017 125 H ASN 18 H ASN 18 0.497 9.543 2.668 126 HA ASN 18 HA ASN 18 2.502 8.120 4.355 127 HB2 ASN 18 HB3 ASN 18 1.514 9.701 6.306 128 HB3 ASN 18 HB2 ASN 18 2.852 10.266 5.317 129 HD21 ASN 18 HD21 ASN 18 1.898 11.337 3.107 130 HD22 ASN 18 HD22 ASN 18 0.684 12.488 3.385 131 H PHE 19 H PHE 19 1.627 6.733 5.797 132 HA PHE 19 HA PHE 19 -0.405 5.125 5.383 133 HB2 PHE 19 HB3 PHE 19 -0.445 4.596 7.796 134 HB3 PHE 19 HB2 PHE 19 1.194 4.913 7.238 135 HD1 PHE 19 HD2 PHE 19 2.333 7.119 7.674 136 HD2 PHE 19 HD1 PHE 19 -1.492 6.139 9.446 137 HE1 PHE 19 HE2 PHE 19 2.612 8.956 9.316 138 HE2 PHE 19 HE1 PHE 19 -1.197 7.983 11.074 139 HZ PHE 19 HZ PHE 19 0.851 9.390 11.015 140 H ASP 20 H ASP 20 -0.867 8.381 6.632 141 HA ASP 20 HA ASP 20 -3.622 8.104 7.492 142 HB2 ASP 20 HB3 ASP 20 -1.961 10.507 6.602 143 HB3 ASP 20 HB2 ASP 20 -3.556 10.630 7.351 144 H GLU 21 H GLU 21 -2.004 9.280 4.572 145 HA GLU 21 HA GLU 21 -4.272 9.915 3.023 146 HB2 GLU 21 HB3 GLU 21 -1.524 8.932 2.071 147 HB3 GLU 21 HB2 GLU 21 -2.732 9.679 1.024 148 HG2 GLU 21 HG3 GLU 21 -1.444 11.032 3.444 149 HG3 GLU 21 HG2 GLU 21 -0.989 11.313 1.772 150 H LEU 22 H LEU 22 -2.550 6.857 3.421 151 HA LEU 22 HA LEU 22 -4.228 5.388 1.504 152 HB2 LEU 22 HB3 LEU 22 -2.460 4.361 3.794 153 HB3 LEU 22 HB2 LEU 22 -3.060 3.401 2.441 154 HG LEU 22 HG LEU 22 -1.190 5.778 2.229 155 HD11 LEU 22 HD11 LEU 22 0.064 3.975 3.128 156 HD12 LEU 22 HD12 LEU 22 0.471 3.973 1.431 157 HD13 LEU 22 HD13 LEU 22 -0.662 2.784 2.053 158 HD21 LEU 22 HD21 LEU 22 -2.296 5.827 0.142 159 HD22 LEU 22 HD22 LEU 22 -2.598 4.089 0.116 160 HD23 LEU 22 HD23 LEU 22 -1.001 4.711 -0.261 161 H ARG 23 H ARG 23 -3.993 5.538 4.988 162 HA ARG 23 HA ARG 23 -6.161 3.793 5.533 163 HB2 ARG 23 HB3 ARG 23 -4.574 4.363 7.266 164 HB3 ARG 23 HB2 ARG 23 -5.030 6.061 7.191 165 HG2 ARG 23 HG3 ARG 23 -7.192 5.690 8.195 166 HG3 ARG 23 HG2 ARG 23 -7.168 3.972 7.840 167 HD2 ARG 23 HD3 ARG 23 -6.815 4.295 10.211 168 HD3 ARG 23 HD2 ARG 23 -5.324 3.704 9.484 169 HE ARG 23 HE ARG 23 -4.292 5.682 10.073 170 HH11 ARG 23 HH21 ARG 23 -7.751 6.169 10.156 171 HH12 ARG 23 HH22 ARG 23 -7.624 7.798 10.731 172 HH21 ARG 23 HH11 ARG 23 -4.163 7.792 10.814 173 HH22 ARG 23 HH12 ARG 23 -5.602 8.713 11.099 174 H GLN 24 H GLN 24 -6.192 7.328 5.520 175 HA GLN 24 HA GLN 24 -8.890 7.697 6.138 176 HB2 GLN 24 HB3 GLN 24 -6.987 9.448 4.527 177 HB3 GLN 24 HB2 GLN 24 -8.503 10.015 5.228 178 HG2 GLN 24 HG3 GLN 24 -6.533 8.610 7.080 179 HG3 GLN 24 HG2 GLN 24 -6.165 10.261 6.596 180 HE21 GLN 24 HE21 GLN 24 -7.409 8.716 9.155 181 HE22 GLN 24 HE22 GLN 24 -8.603 9.818 9.650 182 H ASP 25 H ASP 25 -7.346 7.226 2.938 183 HA ASP 25 HA ASP 25 -9.736 7.746 1.435 184 HB2 ASP 25 HB3 ASP 25 -7.019 6.490 0.864 185 HB3 ASP 25 HB2 ASP 25 -8.252 6.760 -0.371 186 H LEU 26 H LEU 26 -7.731 4.943 2.507 187 HA LEU 26 HA LEU 26 -9.419 2.934 1.326 188 HB2 LEU 26 HB3 LEU 26 -7.400 2.613 3.558 189 HB3 LEU 26 HB2 LEU 26 -8.223 1.263 2.815 190 HG LEU 26 HG LEU 26 -6.543 3.173 1.101 191 HD11 LEU 26 HD11 LEU 26 -4.666 1.590 1.280 192 HD12 LEU 26 HD12 LEU 26 -5.594 0.559 2.376 193 HD13 LEU 26 HD13 LEU 26 -5.086 2.163 2.889 194 HD21 LEU 26 HD21 LEU 26 -6.433 1.205 -0.451 195 HD22 LEU 26 HD22 LEU 26 -8.084 1.721 -0.192 196 HD23 LEU 26 HD23 LEU 26 -7.476 0.300 0.643 197 H LYS 27 H LYS 27 -9.613 4.470 4.485 198 HA LYS 27 HA LYS 27 -11.368 2.624 5.792 199 HB2 LYS 27 HB3 LYS 27 -10.256 4.566 6.861 200 HB3 LYS 27 HB2 LYS 27 -11.269 5.643 5.909 201 HG2 LYS 27 HG3 LYS 27 -13.293 4.842 7.091 202 HG3 LYS 27 HG2 LYS 27 -12.343 3.616 7.930 203 HD2 LYS 27 HD3 LYS 27 -12.796 5.569 9.418 204 HD3 LYS 27 HD2 LYS 27 -11.065 5.369 9.138 205 HE2 LYS 27 HE3 LYS 27 -11.929 7.797 8.977 206 HE3 LYS 27 HE2 LYS 27 -11.000 7.259 7.573 207 HZ1 LYS 27 HZ1 LYS 27 -13.939 6.915 7.643 208 HZ2 LYS 27 HZ2 LYS 27 -12.902 7.046 6.302 209 HZ3 LYS 27 HZ3 LYS 27 -13.267 8.417 7.237 210 H GLY 28 H GLY 28 -12.070 5.330 3.560 211 HA2 GLY 28 HA3 GLY 28 -14.903 5.211 3.578 212 HA3 GLY 28 HA2 GLY 28 -13.914 5.898 2.301 213 H LYS 29 H LYS 29 -12.550 3.331 1.767 214 HA LYS 29 HA LYS 29 -14.374 2.276 -0.214 215 HB2 LYS 29 HB3 LYS 29 -11.691 1.126 0.687 216 HB3 LYS 29 HB2 LYS 29 -12.511 0.842 -0.847 217 HG2 LYS 29 HG3 LYS 29 -11.457 3.551 0.031 218 HG3 LYS 29 HG2 LYS 29 -10.580 2.447 -1.011 219 HD2 LYS 29 HD3 LYS 29 -12.462 2.578 -2.675 220 HD3 LYS 29 HD2 LYS 29 -13.266 3.762 -1.646 221 HE2 LYS 29 HE3 LYS 29 -12.001 4.911 -3.439 222 HE3 LYS 29 HE2 LYS 29 -11.308 5.290 -1.862 223 HZ1 LYS 29 HZ1 LYS 29 -10.122 2.941 -2.880 224 HZ2 LYS 29 HZ2 LYS 29 -9.391 4.429 -2.505 225 HZ3 LYS 29 HZ3 LYS 29 -10.033 4.162 -4.056 226 H GLY 30 H GLY 30 -14.556 1.853 2.915 227 HA2 GLY 30 HA3 GLY 30 -15.683 0.370 4.264 228 HA3 GLY 30 HA2 GLY 30 -16.171 -0.486 2.809 229 H HIS 31 H HIS 31 -12.734 -0.110 3.247 230 HA HIS 31 HA HIS 31 -12.324 -2.942 3.421 231 HB2 HIS 31 HB3 HIS 31 -10.416 -0.578 3.727 232 HB3 HIS 31 HB2 HIS 31 -9.903 -2.268 3.715 233 HD2 HIS 31 HD2 HIS 31 -8.597 -1.870 1.180 234 HE1 HIS 31 HE1 HIS 31 -12.233 -1.565 -0.941 235 HE2 HIS 31 HE2 HIS 31 -9.713 -1.890 -1.183 236 H THR 32 H THR 32 -11.048 -3.954 5.117 237 HA THR 32 HA THR 32 -12.243 -3.343 7.763 238 HB THR 32 HB THR 32 -11.591 -5.628 8.345 239 HG1 THR 32 HG1 THR 32 -10.448 -6.855 6.856 240 HG21 THR 32 HG21 THR 32 -12.918 -6.869 6.665 241 HG22 THR 32 HG22 THR 32 -12.752 -5.547 5.518 242 HG23 THR 32 HG23 THR 32 -13.693 -5.318 6.994 243 H ASP 33 H ASP 33 -10.881 -3.606 9.682 244 HA ASP 33 HA ASP 33 -8.673 -1.840 9.626 245 HB2 ASP 33 HB3 ASP 33 -9.453 -3.917 11.718 246 HB3 ASP 33 HB2 ASP 33 -8.319 -2.590 11.985 247 H ALA 34 H ALA 34 -8.857 -5.402 9.633 248 HA ALA 34 HA ALA 34 -6.085 -5.925 9.857 249 HB1 ALA 34 HB1 ALA 34 -8.196 -7.534 8.359 250 HB2 ALA 34 HB2 ALA 34 -7.831 -7.672 10.077 251 HB3 ALA 34 HB3 ALA 34 -6.620 -8.141 8.881 252 H GLU 35 H GLU 35 -8.108 -5.559 6.793 253 HA GLU 35 HA GLU 35 -5.906 -5.844 5.051 254 HB2 GLU 35 HB3 GLU 35 -8.591 -4.439 4.694 255 HB3 GLU 35 HB2 GLU 35 -7.490 -4.806 3.364 256 HG2 GLU 35 HG3 GLU 35 -7.676 -7.229 3.850 257 HG3 GLU 35 HG2 GLU 35 -8.723 -6.896 5.217 258 H ILE 36 H ILE 36 -7.490 -2.962 6.333 259 HA ILE 36 HA ILE 36 -6.066 -1.017 4.888 260 HB ILE 36 HB ILE 36 -7.298 -0.911 7.665 261 HG12 ILE 36 HG13 ILE 36 -8.349 0.331 5.066 262 HG13 ILE 36 HG12 ILE 36 -8.770 -1.282 5.552 263 HG21 ILE 36 HG21 ILE 36 -5.716 0.964 7.662 264 HG22 ILE 36 HG22 ILE 36 -7.294 1.643 7.338 265 HG23 ILE 36 HG23 ILE 36 -6.168 1.398 6.013 266 HD11 ILE 36 HD11 ILE 36 -10.506 0.299 6.232 267 HD12 ILE 36 HD12 ILE 36 -9.322 1.224 7.150 268 HD13 ILE 36 HD13 ILE 36 -9.745 -0.424 7.650 269 H GLU 37 H GLU 37 -5.372 -2.260 8.207 270 HA GLU 37 HA GLU 37 -3.082 -0.838 8.646 271 HB2 GLU 37 HB3 GLU 37 -2.709 -2.130 10.575 272 HB3 GLU 37 HB2 GLU 37 -4.448 -1.989 10.353 273 HG2 GLU 37 HG3 GLU 37 -4.376 -4.290 9.298 274 HG3 GLU 37 HG2 GLU 37 -2.712 -4.440 9.794 275 H ALA 38 H ALA 38 -3.473 -4.084 7.356 276 HA ALA 38 HA ALA 38 -0.782 -4.847 7.213 277 HB1 ALA 38 HB1 ALA 38 -3.192 -5.644 5.561 278 HB2 ALA 38 HB2 ALA 38 -2.691 -6.374 7.083 279 HB3 ALA 38 HB3 ALA 38 -1.682 -6.558 5.646 280 H ILE 39 H ILE 39 -2.901 -3.338 4.732 281 HA ILE 39 HA ILE 39 -0.996 -3.479 2.613 282 HB ILE 39 HB ILE 39 -3.582 -2.013 3.118 283 HG12 ILE 39 HG13 ILE 39 -4.105 -2.813 0.747 284 HG13 ILE 39 HG12 ILE 39 -2.484 -3.493 0.657 285 HG21 ILE 39 HG21 ILE 39 -3.425 -0.553 1.059 286 HG22 ILE 39 HG22 ILE 39 -1.696 -0.852 1.013 287 HG23 ILE 39 HG23 ILE 39 -2.407 0.011 2.369 288 HD11 ILE 39 HD11 ILE 39 -3.841 -5.316 1.293 289 HD12 ILE 39 HD12 ILE 39 -4.804 -4.337 2.384 290 HD13 ILE 39 HD13 ILE 39 -3.165 -4.809 2.842 291 H PHE 40 H PHE 40 -1.687 -0.722 4.778 292 HA PHE 40 HA PHE 40 0.234 0.987 3.518 293 HB2 PHE 40 HB3 PHE 40 -0.507 2.625 4.996 294 HB3 PHE 40 HB2 PHE 40 -1.805 1.487 5.264 295 HD1 PHE 40 HD2 PHE 40 1.505 2.670 6.544 296 HD2 PHE 40 HD1 PHE 40 -1.991 0.400 7.431 297 HE1 PHE 40 HE2 PHE 40 2.232 2.504 8.898 298 HE2 PHE 40 HE1 PHE 40 -1.273 0.162 9.801 299 HZ PHE 40 HZ PHE 40 0.859 1.228 10.539 300 H THR 41 H THR 41 0.357 -1.064 6.389 301 HA THR 41 HA THR 41 2.941 -0.184 7.238 302 HB THR 41 HB THR 41 1.256 -1.380 8.684 303 HG1 THR 41 HG1 THR 41 3.437 -1.006 9.262 304 HG21 THR 41 HG21 THR 41 2.551 -3.942 7.705 305 HG22 THR 41 HG22 THR 41 1.044 -3.373 7.039 306 HG23 THR 41 HG23 THR 41 1.131 -3.780 8.739 307 H LYS 42 H LYS 42 2.005 -2.781 5.013 308 HA LYS 42 HA LYS 42 4.548 -4.025 4.908 309 HB2 LYS 42 HB3 LYS 42 2.353 -4.967 4.117 310 HB3 LYS 42 HB2 LYS 42 2.367 -3.828 2.770 311 HG2 LYS 42 HG3 LYS 42 4.517 -4.829 1.968 312 HG3 LYS 42 HG2 LYS 42 4.480 -5.964 3.318 313 HD2 LYS 42 HD3 LYS 42 2.316 -6.896 2.459 314 HD3 LYS 42 HD2 LYS 42 2.387 -5.774 1.097 315 HE2 LYS 42 HE3 LYS 42 4.519 -6.820 0.339 316 HE3 LYS 42 HE2 LYS 42 4.458 -7.936 1.706 317 HZ1 LYS 42 HZ1 LYS 42 2.918 -7.924 -0.748 318 HZ2 LYS 42 HZ2 LYS 42 2.043 -8.299 0.660 319 HZ3 LYS 42 HZ3 LYS 42 3.404 -9.222 0.229 320 H TYR 43 H TYR 43 2.987 -1.561 2.689 321 HA TYR 43 HA TYR 43 5.467 -1.225 1.231 322 HB2 TYR 43 HB3 TYR 43 3.138 0.767 1.294 323 HB3 TYR 43 HB2 TYR 43 4.387 0.618 0.063 324 HD1 TYR 43 HD1 TYR 43 4.672 -1.870 -0.900 325 HD2 TYR 43 HD2 TYR 43 1.010 -0.276 0.673 326 HE1 TYR 43 HE1 TYR 43 3.411 -3.607 -2.143 327 HE2 TYR 43 HE2 TYR 43 -0.247 -2.021 -0.568 328 HH TYR 43 HH TYR 43 -0.091 -3.504 -2.270 329 H ASP 44 H ASP 44 4.017 0.483 4.035 330 HA ASP 44 HA ASP 44 6.310 2.399 4.082 331 HB2 ASP 44 HB3 ASP 44 3.875 2.254 5.915 332 HB3 ASP 44 HB2 ASP 44 4.987 3.586 5.684 333 H GLN 45 H GLN 45 8.078 1.246 4.850 334 HA GLN 45 HA GLN 45 8.012 -0.882 6.664 335 HB2 GLN 45 HB3 GLN 45 10.290 1.112 6.254 336 HB3 GLN 45 HB2 GLN 45 10.456 -0.520 6.912 337 HG2 GLN 45 HG3 GLN 45 9.497 0.154 4.082 338 HG3 GLN 45 HG2 GLN 45 11.106 -0.422 4.497 339 HE21 GLN 45 HE21 GLN 45 7.688 -1.393 4.297 340 HE22 GLN 45 HE22 GLN 45 7.991 -3.062 4.332 341 H ASP 46 H ASP 46 8.774 2.646 7.549 342 HA ASP 46 HA ASP 46 8.368 1.921 10.409 343 HB2 ASP 46 HB3 ASP 46 9.705 4.311 9.070 344 HB3 ASP 46 HB2 ASP 46 9.652 4.001 10.808 345 H GLY 47 H GLY 47 6.641 3.204 7.827 346 HA2 GLY 47 HA3 GLY 47 4.843 4.696 7.624 347 HA3 GLY 47 HA2 GLY 47 4.326 3.958 9.116 348 H ASP 48 H ASP 48 7.211 5.893 8.752 349 HA ASP 48 HA ASP 48 6.098 8.059 10.495 350 HB2 ASP 48 HB3 ASP 48 7.902 6.586 11.431 351 HB3 ASP 48 HB2 ASP 48 8.972 7.095 10.134 352 H GLN 49 H GLN 49 7.605 7.349 7.413 353 HA GLN 49 HA GLN 49 7.785 10.272 6.757 354 HB2 GLN 49 HB3 GLN 49 9.763 9.776 5.340 355 HB3 GLN 49 HB2 GLN 49 10.084 9.401 7.029 356 HG2 GLN 49 HG3 GLN 49 9.316 7.315 4.919 357 HG3 GLN 49 HG2 GLN 49 10.956 7.642 5.451 358 HE21 GLN 49 HE21 GLN 49 8.277 5.654 6.043 359 HE22 GLN 49 HE22 GLN 49 8.732 5.082 7.574 360 H GLU 50 H GLU 50 8.023 10.509 4.238 361 HA GLU 50 HA GLU 50 5.633 9.479 3.092 362 HB2 GLU 50 HB3 GLU 50 7.889 11.187 1.940 363 HB3 GLU 50 HB2 GLU 50 6.352 10.862 1.134 364 HG2 GLU 50 HG3 GLU 50 6.182 13.048 2.208 365 HG3 GLU 50 HG2 GLU 50 5.151 11.943 3.099 366 H LEU 51 H LEU 51 5.500 8.101 1.356 367 HA LEU 51 HA LEU 51 7.674 6.112 1.160 368 HB2 LEU 51 HB3 LEU 51 5.256 5.433 1.454 369 HB3 LEU 51 HB2 LEU 51 4.960 6.054 -0.152 370 HG LEU 51 HG LEU 51 6.787 4.365 -0.992 371 HD11 LEU 51 HD11 LEU 51 7.110 2.352 0.424 372 HD12 LEU 51 HD12 LEU 51 6.283 3.175 1.746 373 HD13 LEU 51 HD13 LEU 51 7.823 3.774 1.158 374 HD21 LEU 51 HD21 LEU 51 4.212 3.219 0.170 375 HD22 LEU 51 HD22 LEU 51 5.179 2.518 -1.126 376 HD23 LEU 51 HD23 LEU 51 4.344 4.035 -1.390 377 H THR 52 H THR 52 9.155 6.235 -0.370 378 HA THR 52 HA THR 52 8.939 7.969 -2.660 379 HB THR 52 HB THR 52 11.071 7.799 -1.464 380 HG1 THR 52 HG1 THR 52 11.849 6.443 -3.687 381 HG21 THR 52 HG21 THR 52 11.068 4.854 -2.268 382 HG22 THR 52 HG22 THR 52 10.867 5.459 -0.625 383 HG23 THR 52 HG23 THR 52 12.390 5.703 -1.476 384 H GLU 53 H GLU 53 9.958 7.076 -4.604 385 HA GLU 53 HA GLU 53 7.988 5.325 -5.768 386 HB2 GLU 53 HB3 GLU 53 9.541 5.670 -7.917 387 HB3 GLU 53 HB2 GLU 53 8.517 6.982 -7.355 388 HG2 GLU 53 HG3 GLU 53 11.384 6.787 -6.307 389 HG3 GLU 53 HG2 GLU 53 11.080 7.483 -7.893 390 H HIS 54 H HIS 54 11.505 5.122 -5.325 391 HA HIS 54 HA HIS 54 11.936 2.664 -6.553 392 HB2 HIS 54 HB3 HIS 54 13.776 4.111 -5.678 393 HB3 HIS 54 HB2 HIS 54 13.380 3.622 -4.034 394 HD2 HIS 54 HD2 HIS 54 14.819 1.928 -7.330 395 HE1 HIS 54 HE1 HIS 54 15.709 -0.550 -4.031 396 HE2 HIS 54 HE2 HIS 54 16.041 -0.235 -6.529 397 H GLU 55 H GLU 55 11.250 3.058 -2.974 398 HA GLU 55 HA GLU 55 10.964 0.317 -2.453 399 HB2 GLU 55 HB3 GLU 55 9.633 2.721 -1.112 400 HB3 GLU 55 HB2 GLU 55 9.740 1.101 -0.411 401 HG2 GLU 55 HG3 GLU 55 12.230 1.247 -0.431 402 HG3 GLU 55 HG2 GLU 55 12.139 2.852 -1.157 403 H HIS 56 H HIS 56 8.424 2.787 -3.208 404 HA HIS 56 HA HIS 56 6.219 1.047 -3.094 405 HB2 HIS 56 HB3 HIS 56 6.045 3.533 -3.183 406 HB3 HIS 56 HB2 HIS 56 6.553 3.512 -4.839 407 HD2 HIS 56 HD2 HIS 56 3.500 1.842 -2.861 408 HE1 HIS 56 HE1 HIS 56 2.280 2.801 -6.784 409 HE2 HIS 56 HE2 HIS 56 1.531 1.807 -4.570 410 H GLN 57 H GLN 57 8.059 2.037 -6.117 411 HA GLN 57 HA GLN 57 6.555 0.371 -7.846 412 HB2 GLN 57 HB3 GLN 57 9.224 1.773 -8.014 413 HB3 GLN 57 HB2 GLN 57 8.867 0.584 -9.248 414 HG2 GLN 57 HG3 GLN 57 8.211 3.011 -9.810 415 HG3 GLN 57 HG2 GLN 57 6.960 1.811 -10.050 416 HE21 GLN 57 HE21 GLN 57 7.958 3.411 -7.019 417 HE22 GLN 57 HE22 GLN 57 6.445 4.067 -6.678 418 H GLN 58 H GLN 58 9.541 -0.349 -5.967 419 HA GLN 58 HA GLN 58 10.051 -2.897 -7.150 420 HB2 GLN 58 HB3 GLN 58 11.687 -1.603 -5.765 421 HB3 GLN 58 HB2 GLN 58 10.717 -1.920 -4.328 422 HG2 GLN 58 HG3 GLN 58 11.099 -4.375 -4.610 423 HG3 GLN 58 HG2 GLN 58 12.035 -4.068 -6.070 424 HE21 GLN 58 HE21 GLN 58 14.163 -4.626 -5.398 425 HE22 GLN 58 HE22 GLN 58 14.934 -3.960 -4.041 426 H MET 59 H MET 59 8.437 -2.096 -3.995 427 HA MET 59 HA MET 59 7.560 -4.696 -3.416 428 HB2 MET 59 HB3 MET 59 6.378 -1.989 -2.712 429 HB3 MET 59 HB2 MET 59 5.916 -3.495 -1.946 430 HG2 MET 59 HG3 MET 59 8.716 -2.328 -1.942 431 HG3 MET 59 HG2 MET 59 7.605 -2.215 -0.594 432 HE1 MET 59 HE1 MET 59 7.255 -5.834 0.639 433 HE2 MET 59 HE2 MET 59 6.446 -5.594 -0.908 434 HE3 MET 59 HE3 MET 59 6.409 -4.316 0.309 435 H ARG 60 H ARG 60 5.934 -2.069 -5.109 436 HA ARG 60 HA ARG 60 3.407 -3.350 -5.519 437 HB2 ARG 60 HB3 ARG 60 3.852 -0.962 -6.012 438 HB3 ARG 60 HB2 ARG 60 4.951 -1.430 -7.307 439 HG2 ARG 60 HG3 ARG 60 3.007 -2.525 -8.497 440 HG3 ARG 60 HG2 ARG 60 1.954 -1.951 -7.215 441 HD2 ARG 60 HD3 ARG 60 2.523 0.377 -7.807 442 HD3 ARG 60 HD2 ARG 60 3.642 -0.210 -9.041 443 HE ARG 60 HE ARG 60 1.282 -1.410 -9.675 444 HH11 ARG 60 HH21 ARG 60 2.300 1.904 -9.243 445 HH12 ARG 60 HH22 ARG 60 1.188 2.530 -10.414 446 HH21 ARG 60 HH11 ARG 60 -0.163 -0.558 -11.200 447 HH22 ARG 60 HH12 ARG 60 -0.196 1.145 -11.516 448 H ASP 61 H ASP 61 6.254 -3.244 -7.735 449 HA ASP 61 HA ASP 61 5.335 -4.992 -9.692 450 HB2 ASP 61 HB3 ASP 61 7.358 -3.556 -9.918 451 HB3 ASP 61 HB2 ASP 61 8.213 -4.567 -8.759 452 H ASP 62 H ASP 62 6.967 -5.685 -6.634 453 HA ASP 62 HA ASP 62 7.365 -8.492 -7.019 454 HB2 ASP 62 HB3 ASP 62 7.056 -6.879 -4.441 455 HB3 ASP 62 HB2 ASP 62 7.641 -8.535 -4.535 456 H LEU 63 H LEU 63 4.807 -6.461 -5.649 457 HA LEU 63 HA LEU 63 3.151 -8.459 -4.632 458 HB2 LEU 63 HB3 LEU 63 2.929 -5.879 -4.386 459 HB3 LEU 63 HB2 LEU 63 2.016 -5.933 -5.882 460 HG LEU 63 HG LEU 63 0.622 -7.892 -4.579 461 HD11 LEU 63 HD11 LEU 63 1.663 -6.187 -2.280 462 HD12 LEU 63 HD12 LEU 63 2.043 -7.878 -2.556 463 HD13 LEU 63 HD13 LEU 63 0.395 -7.408 -2.162 464 HD21 LEU 63 HD21 LEU 63 -0.983 -6.103 -3.754 465 HD22 LEU 63 HD22 LEU 63 -0.474 -5.935 -5.428 466 HD23 LEU 63 HD23 LEU 63 0.232 -4.902 -4.202 467 H GLU 64 H GLU 64 3.145 -6.973 -7.916 468 HA GLU 64 HA GLU 64 0.982 -8.535 -8.967 469 HB2 GLU 64 HB3 GLU 64 3.415 -7.339 -10.366 470 HB3 GLU 64 HB2 GLU 64 1.973 -7.928 -11.196 471 HG2 GLU 64 HG3 GLU 64 0.581 -6.245 -9.987 472 HG3 GLU 64 HG2 GLU 64 2.010 -5.662 -9.139 473 H LYS 65 H LYS 65 4.501 -9.156 -8.944 474 HA LYS 65 HA LYS 65 4.562 -11.542 -10.458 475 HB2 LYS 65 HB3 LYS 65 6.373 -10.455 -8.271 476 HB3 LYS 65 HB2 LYS 65 6.773 -11.952 -9.119 477 HG2 LYS 65 HG3 LYS 65 6.823 -10.733 -11.285 478 HG3 LYS 65 HG2 LYS 65 6.378 -9.237 -10.475 479 HD2 LYS 65 HD3 LYS 65 8.477 -9.323 -9.125 480 HD3 LYS 65 HD2 LYS 65 8.921 -10.841 -9.903 481 HE2 LYS 65 HE3 LYS 65 9.037 -9.684 -12.102 482 HE3 LYS 65 HE2 LYS 65 8.581 -8.164 -11.330 483 HZ1 LYS 65 HZ1 LYS 65 10.998 -8.403 -11.628 484 HZ2 LYS 65 HZ2 LYS 65 10.982 -9.769 -10.617 485 HZ3 LYS 65 HZ3 LYS 65 10.565 -8.243 -9.994 486 H GLU 66 H GLU 66 4.322 -11.245 -6.869 487 HA GLU 66 HA GLU 66 4.237 -14.115 -6.435 488 HB2 GLU 66 HB3 GLU 66 3.739 -13.551 -4.082 489 HB3 GLU 66 HB2 GLU 66 5.063 -12.550 -4.691 490 HG2 GLU 66 HG3 GLU 66 3.379 -10.741 -5.145 491 HG3 GLU 66 HG2 GLU 66 2.146 -11.692 -4.357 492 H ARG 67 H ARG 67 1.819 -11.564 -6.793 493 HA ARG 67 HA ARG 67 -0.510 -12.916 -6.005 494 HB2 ARG 67 HB3 ARG 67 0.093 -10.657 -7.933 495 HB3 ARG 67 HB2 ARG 67 -1.525 -11.343 -8.017 496 HG2 ARG 67 HG3 ARG 67 -1.915 -10.826 -5.630 497 HG3 ARG 67 HG2 ARG 67 -0.270 -10.227 -5.458 498 HD2 ARG 67 HD3 ARG 67 -1.904 -8.345 -5.770 499 HD3 ARG 67 HD2 ARG 67 -0.720 -8.410 -7.074 500 HE ARG 67 HE ARG 67 -2.440 -8.821 -8.550 501 HH11 ARG 67 HH21 ARG 67 -3.532 -9.669 -5.354 502 HH12 ARG 67 HH22 ARG 67 -5.143 -10.038 -5.872 503 HH21 ARG 67 HH11 ARG 67 -4.542 -9.309 -9.198 504 HH22 ARG 67 HH12 ARG 67 -5.710 -9.839 -8.034 505 H GLU 68 H GLU 68 0.964 -12.862 -9.314 506 HA GLU 68 HA GLU 68 -0.935 -14.666 -10.499 507 HB2 GLU 68 HB3 GLU 68 1.947 -14.021 -11.301 508 HB3 GLU 68 HB2 GLU 68 0.761 -14.834 -12.333 509 HG2 GLU 68 HG3 GLU 68 -0.713 -12.832 -12.223 510 HG3 GLU 68 HG2 GLU 68 0.455 -12.028 -11.184 511 H ASP 69 H ASP 69 2.446 -15.179 -9.535 512 HA ASP 69 HA ASP 69 2.573 -17.954 -9.872 513 HB2 ASP 69 HB3 ASP 69 4.562 -16.558 -9.336 514 HB3 ASP 69 HB2 ASP 69 3.977 -16.346 -7.689 515 H LEU 70 H LEU 70 1.574 -16.166 -6.934 516 HA LEU 70 HA LEU 70 1.041 -18.333 -5.243 517 HB2 LEU 70 HB3 LEU 70 1.043 -16.012 -4.411 518 HB3 LEU 70 HB2 LEU 70 -0.362 -15.631 -5.402 519 HG LEU 70 HG LEU 70 -1.760 -17.178 -3.994 520 HD11 LEU 70 HD11 LEU 70 -0.229 -18.857 -3.231 521 HD12 LEU 70 HD12 LEU 70 -0.703 -17.993 -1.783 522 HD13 LEU 70 HD13 LEU 70 0.865 -17.668 -2.520 523 HD21 LEU 70 HD21 LEU 70 -1.790 -15.802 -1.936 524 HD22 LEU 70 HD22 LEU 70 -1.606 -14.784 -3.361 525 HD23 LEU 70 HD23 LEU 70 -0.206 -15.136 -2.348 526 H ASP 71 H ASP 71 -1.168 -16.716 -7.488 527 HA ASP 71 HA ASP 71 -3.463 -18.346 -6.958 528 HB2 ASP 71 HB3 ASP 71 -2.703 -16.682 -9.401 529 HB3 ASP 71 HB2 ASP 71 -4.305 -17.360 -9.114 530 H LEU 72 H LEU 72 -1.307 -18.275 -9.808 531 HA LEU 72 HA LEU 72 -2.151 -20.877 -10.752 532 HB2 LEU 72 HB3 LEU 72 -0.050 -18.840 -11.580 533 HB3 LEU 72 HB2 LEU 72 -0.027 -20.440 -12.313 534 HG LEU 72 HG LEU 72 -1.255 -18.789 -13.729 535 HD11 LEU 72 HD11 LEU 72 -2.011 -21.348 -13.481 536 HD12 LEU 72 HD12 LEU 72 -2.937 -20.204 -14.435 537 HD13 LEU 72 HD13 LEU 72 -3.483 -20.628 -12.819 538 HD21 LEU 72 HD21 LEU 72 -3.306 -18.608 -11.481 539 HD22 LEU 72 HD22 LEU 72 -3.344 -17.771 -13.028 540 HD23 LEU 72 HD23 LEU 72 -2.109 -17.355 -11.844 541 H ASP 73 H ASP 73 -1.738 -22.365 -9.148 542 HA ASP 73 HA ASP 73 0.684 -22.683 -7.684 543 HB2 ASP 73 HB3 ASP 73 -1.499 -24.689 -8.427 544 HB3 ASP 73 HB2 ASP 73 -0.291 -24.934 -7.162 545 H HIS 74 H HIS 74 2.546 -23.828 -8.197 546 HA HIS 74 HA HIS 74 3.227 -24.355 -10.913 547 HB2 HIS 74 HB3 HIS 74 5.317 -25.329 -9.891 548 HB3 HIS 74 HB2 HIS 74 4.914 -23.739 -9.238 549 HD2 HIS 74 HD2 HIS 74 3.983 -23.738 -6.538 550 HE1 HIS 74 HE1 HIS 74 4.750 -27.827 -5.822 551 HE2 HIS 74 HE2 HIS 74 4.111 -25.622 -4.737 552 H SER 75 H SER 75 2.360 -26.489 -8.214 553 HA SER 75 HA SER 75 1.196 -28.511 -9.887 554 HB2 SER 75 HB3 SER 75 3.542 -29.078 -10.371 555 HB3 SER 75 HB2 SER 75 3.925 -29.088 -8.652 556 HG SER 75 HG SER 75 1.985 -30.684 -8.718 557 H SER 76 H SER 76 -0.537 -28.639 -8.523 558 HA SER 76 HA SER 76 -0.276 -30.021 -5.987 559 HB2 SER 76 HB3 SER 76 -1.298 -27.145 -5.983 560 HB3 SER 76 HB2 SER 76 -1.337 -28.246 -4.606 561 HG SER 76 HG SER 76 0.493 -27.067 -4.385 562 H LEU 77 H LEU 77 -2.002 -28.869 -8.688 563 HA LEU 77 HA LEU 77 -4.688 -29.259 -7.846 564 HB2 LEU 77 HB3 LEU 77 -3.525 -29.401 -10.666 565 HB3 LEU 77 HB2 LEU 77 -5.223 -29.129 -10.266 566 HG LEU 77 HG LEU 77 -2.894 -27.240 -9.610 567 HD11 LEU 77 HD11 LEU 77 -5.190 -26.937 -11.600 568 HD12 LEU 77 HD12 LEU 77 -3.504 -27.246 -12.017 569 HD13 LEU 77 HD13 LEU 77 -3.957 -25.718 -11.267 570 HD21 LEU 77 HD21 LEU 77 -4.465 -26.857 -7.846 571 HD22 LEU 77 HD22 LEU 77 -5.863 -27.076 -8.899 572 HD23 LEU 77 HD23 LEU 77 -4.876 -25.620 -9.020 573 HA PRO 78 HA PRO 78 -4.760 -33.803 -8.013 574 HB2 PRO 78 HB3 PRO 78 -7.438 -34.367 -8.097 575 HB3 PRO 78 HB2 PRO 78 -6.723 -33.584 -6.661 576 HG2 PRO 78 HG3 PRO 78 -8.100 -32.251 -9.018 577 HG3 PRO 78 HG2 PRO 78 -8.457 -32.058 -7.281 578 HD2 PRO 78 HD2 PRO 78 -6.852 -30.256 -8.549 579 HD3 PRO 78 HD3 PRO 78 -6.469 -30.767 -6.886 Start of MODEL 16 1 H1 ASN 1 1H ASN 1 -13.994 -6.920 -9.966 2 H2 ASN 1 2H ASN 1 -13.745 -6.226 -11.496 3 H3 ASN 1 3H ASN 1 -15.156 -5.871 -10.618 4 HA ASN 1 HA ASN 1 -14.199 -4.222 -9.535 5 HB2 ASN 1 HB3 ASN 1 -12.077 -4.586 -8.263 6 HB3 ASN 1 HB2 ASN 1 -13.223 -5.903 -8.000 7 HD21 ASN 1 HD21 ASN 1 -10.123 -5.814 -7.995 8 HD22 ASN 1 HD22 ASN 1 -9.689 -7.093 -9.024 9 H THR 2 H THR 2 -13.428 -5.250 -12.438 10 HA THR 2 HA THR 2 -10.953 -4.035 -13.142 11 HB THR 2 HB THR 2 -11.767 -4.239 -15.473 12 HG1 THR 2 HG1 THR 2 -14.166 -5.342 -14.843 13 HG21 THR 2 HG21 THR 2 -12.673 -6.605 -13.770 14 HG22 THR 2 HG22 THR 2 -11.013 -6.325 -14.301 15 HG23 THR 2 HG23 THR 2 -12.279 -6.657 -15.486 16 H VAL 3 H VAL 3 -14.234 -2.774 -12.834 17 HA VAL 3 HA VAL 3 -13.925 -0.302 -14.188 18 HB VAL 3 HB VAL 3 -15.902 0.425 -12.810 19 HG11 VAL 3 HG11 VAL 3 -16.104 -2.431 -13.898 20 HG12 VAL 3 HG12 VAL 3 -16.263 -0.959 -14.858 21 HG13 VAL 3 HG13 VAL 3 -17.467 -1.340 -13.626 22 HG21 VAL 3 HG21 VAL 3 -15.493 -2.271 -11.405 23 HG22 VAL 3 HG22 VAL 3 -16.878 -1.206 -11.175 24 HG23 VAL 3 HG23 VAL 3 -15.281 -0.688 -10.657 25 H ASP 4 H ASP 4 -12.860 -1.382 -11.046 26 HA ASP 4 HA ASP 4 -11.185 0.952 -10.671 27 HB2 ASP 4 HB3 ASP 4 -13.405 1.804 -9.896 28 HB3 ASP 4 HB2 ASP 4 -13.496 0.497 -8.724 29 H ASP 5 H ASP 5 -9.531 -0.603 -10.578 30 HA ASP 5 HA ASP 5 -9.532 -2.883 -8.826 31 HB2 ASP 5 HB3 ASP 5 -7.225 -1.388 -10.156 32 HB3 ASP 5 HB2 ASP 5 -7.095 -2.972 -9.388 33 H ILE 6 H ILE 6 -8.645 -3.104 -6.746 34 HA ILE 6 HA ILE 6 -8.632 -0.825 -5.027 35 HB ILE 6 HB ILE 6 -7.832 -2.486 -3.312 36 HG12 ILE 6 HG13 ILE 6 -7.821 -4.483 -5.649 37 HG13 ILE 6 HG12 ILE 6 -6.354 -3.822 -4.949 38 HG21 ILE 6 HG21 ILE 6 -9.850 -3.977 -3.454 39 HG22 ILE 6 HG22 ILE 6 -10.081 -3.499 -5.135 40 HG23 ILE 6 HG23 ILE 6 -10.269 -2.311 -3.842 41 HD11 ILE 6 HD11 ILE 6 -6.972 -4.782 -2.744 42 HD12 ILE 6 HD12 ILE 6 -6.798 -6.012 -3.992 43 HD13 ILE 6 HD13 ILE 6 -8.404 -5.507 -3.480 44 H SER 7 H SER 7 -6.229 -2.285 -7.007 45 HA SER 7 HA SER 7 -3.857 -1.524 -5.655 46 HB2 SER 7 HB3 SER 7 -2.736 -1.988 -7.770 47 HB3 SER 7 HB2 SER 7 -4.024 -3.176 -7.555 48 HG SER 7 HG SER 7 -4.412 -0.744 -8.944 49 H GLU 8 H GLU 8 -6.246 0.493 -6.786 50 HA GLU 8 HA GLU 8 -4.746 2.568 -8.088 51 HB2 GLU 8 HB3 GLU 8 -7.237 2.227 -8.283 52 HB3 GLU 8 HB2 GLU 8 -7.417 2.748 -6.610 53 HG2 GLU 8 HG3 GLU 8 -6.408 4.968 -7.212 54 HG3 GLU 8 HG2 GLU 8 -6.242 4.433 -8.879 55 H SER 9 H SER 9 -5.713 1.880 -4.722 56 HA SER 9 HA SER 9 -4.910 4.333 -3.521 57 HB2 SER 9 HB3 SER 9 -4.899 3.040 -1.405 58 HB3 SER 9 HB2 SER 9 -6.304 2.610 -2.383 59 HG SER 9 HG SER 9 -4.325 1.048 -1.514 60 H LEU 10 H LEU 10 -3.153 1.226 -3.884 61 HA LEU 10 HA LEU 10 -0.728 1.976 -2.679 62 HB2 LEU 10 HB3 LEU 10 -1.105 0.120 -5.078 63 HB3 LEU 10 HB2 LEU 10 0.229 0.078 -3.924 64 HG LEU 10 HG LEU 10 -2.707 -0.491 -3.241 65 HD11 LEU 10 HD11 LEU 10 -1.736 -2.260 -4.621 66 HD12 LEU 10 HD12 LEU 10 -1.966 -2.846 -2.981 67 HD13 LEU 10 HD13 LEU 10 -0.349 -2.391 -3.535 68 HD21 LEU 10 HD21 LEU 10 -1.574 -1.454 -1.122 69 HD22 LEU 10 HD22 LEU 10 -1.732 0.289 -1.211 70 HD23 LEU 10 HD23 LEU 10 -0.174 -0.476 -1.542 71 H ARG 11 H ARG 11 -1.767 2.273 -6.110 72 HA ARG 11 HA ARG 11 0.684 3.285 -7.149 73 HB2 ARG 11 HB3 ARG 11 -1.165 2.338 -8.543 74 HB3 ARG 11 HB2 ARG 11 -2.154 3.749 -8.174 75 HG2 ARG 11 HG3 ARG 11 -0.443 5.230 -9.272 76 HG3 ARG 11 HG2 ARG 11 0.542 3.813 -9.628 77 HD2 ARG 11 HD3 ARG 11 -2.292 4.282 -10.659 78 HD3 ARG 11 HD2 ARG 11 -0.814 4.527 -11.600 79 HE ARG 11 HE ARG 11 -0.777 1.901 -10.569 80 HH11 ARG 11 HH21 ARG 11 -2.562 3.830 -12.863 81 HH12 ARG 11 HH22 ARG 11 -2.987 2.476 -13.857 82 HH21 ARG 11 HH11 ARG 11 -1.342 0.160 -11.869 83 HH22 ARG 11 HH12 ARG 11 -2.296 0.402 -13.292 84 H GLN 12 H GLN 12 -2.338 4.951 -6.270 85 HA GLN 12 HA GLN 12 -2.864 7.095 -5.768 86 HB2 GLN 12 HB3 GLN 12 -1.388 6.434 -3.793 87 HB3 GLN 12 HB2 GLN 12 -0.059 7.252 -4.582 88 HG2 GLN 12 HG3 GLN 12 -1.025 8.823 -2.985 89 HG3 GLN 12 HG2 GLN 12 -1.462 9.392 -4.586 90 HE21 GLN 12 HE21 GLN 12 -3.501 10.379 -4.122 91 HE22 GLN 12 HE22 GLN 12 -4.807 9.554 -3.417 92 H GLY 13 H GLY 13 0.620 7.600 -6.345 93 HA2 GLY 13 HA3 GLY 13 1.777 8.746 -7.963 94 HA3 GLY 13 HA2 GLY 13 0.321 8.784 -8.952 95 H GLY 14 H GLY 14 -0.014 9.897 -5.755 96 HA2 GLY 14 HA3 GLY 14 -0.640 12.615 -6.550 97 HA3 GLY 14 HA2 GLY 14 -0.705 11.932 -4.927 98 H GLY 15 H GLY 15 2.178 10.927 -5.523 99 HA2 GLY 15 HA3 GLY 15 4.369 11.815 -5.562 100 HA3 GLY 15 HA2 GLY 15 3.742 13.439 -5.326 101 H LYS 16 H LYS 16 1.943 12.435 -3.148 102 HA LYS 16 HA LYS 16 3.930 12.076 -0.941 103 HB2 LYS 16 HB3 LYS 16 1.322 13.649 -0.984 104 HB3 LYS 16 HB2 LYS 16 2.290 13.389 0.468 105 HG2 LYS 16 HG3 LYS 16 3.368 14.782 -2.037 106 HG3 LYS 16 HG2 LYS 16 2.628 15.652 -0.695 107 HD2 LYS 16 HD3 LYS 16 4.357 14.781 0.862 108 HD3 LYS 16 HD2 LYS 16 5.103 13.867 -0.436 109 HE2 LYS 16 HE3 LYS 16 6.314 15.985 -0.062 110 HE3 LYS 16 HE2 LYS 16 5.597 15.934 -1.673 111 HZ1 LYS 16 HZ1 LYS 16 4.181 17.160 0.623 112 HZ2 LYS 16 HZ2 LYS 16 3.884 17.368 -1.039 113 HZ3 LYS 16 HZ3 LYS 16 5.272 18.041 -0.328 114 H LEU 17 H LEU 17 3.748 10.185 0.080 115 HA LEU 17 HA LEU 17 1.091 8.905 0.316 116 HB2 LEU 17 HB3 LEU 17 3.542 7.960 -1.074 117 HB3 LEU 17 HB2 LEU 17 3.002 6.807 0.134 118 HG LEU 17 HG LEU 17 1.042 7.913 -1.934 119 HD11 LEU 17 HD11 LEU 17 1.473 5.837 -3.281 120 HD12 LEU 17 HD12 LEU 17 2.841 5.491 -2.243 121 HD13 LEU 17 HD13 LEU 17 2.850 6.935 -3.247 122 HD21 LEU 17 HD21 LEU 17 -0.296 5.999 -1.337 123 HD22 LEU 17 HD22 LEU 17 0.274 6.615 0.218 124 HD23 LEU 17 HD23 LEU 17 1.047 5.217 -0.505 125 H ASN 18 H ASN 18 0.648 9.025 2.344 126 HA ASN 18 HA ASN 18 2.625 8.236 4.436 127 HB2 ASN 18 HB3 ASN 18 1.140 9.858 5.911 128 HB3 ASN 18 HB2 ASN 18 2.321 10.587 4.827 129 HD21 ASN 18 HD21 ASN 18 -0.819 11.027 5.783 130 HD22 ASN 18 HD22 ASN 18 -1.446 11.719 4.366 131 H PHE 19 H PHE 19 1.953 6.604 5.618 132 HA PHE 19 HA PHE 19 0.181 4.739 5.221 133 HB2 PHE 19 HB3 PHE 19 0.167 4.280 7.659 134 HB3 PHE 19 HB2 PHE 19 1.765 4.716 7.059 135 HD1 PHE 19 HD1 PHE 19 2.628 7.112 7.315 136 HD2 PHE 19 HD2 PHE 19 -0.911 5.692 9.366 137 HE1 PHE 19 HE1 PHE 19 2.786 8.997 8.907 138 HE2 PHE 19 HE2 PHE 19 -0.725 7.580 10.955 139 HZ PHE 19 HZ PHE 19 1.119 9.227 10.731 140 H ASP 20 H ASP 20 -0.745 7.849 6.455 141 HA ASP 20 HA ASP 20 -3.412 7.179 7.352 142 HB2 ASP 20 HB3 ASP 20 -2.008 9.787 6.629 143 HB3 ASP 20 HB2 ASP 20 -3.640 9.739 7.292 144 H GLU 21 H GLU 21 -2.031 8.719 4.499 145 HA GLU 21 HA GLU 21 -4.421 9.168 3.101 146 HB2 GLU 21 HB3 GLU 21 -2.906 10.159 1.622 147 HB3 GLU 21 HB2 GLU 21 -1.594 9.501 2.589 148 HG2 GLU 21 HG3 GLU 21 -1.275 8.793 0.318 149 HG3 GLU 21 HG2 GLU 21 -1.706 7.411 1.287 150 H LEU 22 H LEU 22 -2.443 6.282 3.407 151 HA LEU 22 HA LEU 22 -3.967 4.675 1.475 152 HB2 LEU 22 HB3 LEU 22 -2.086 3.840 3.754 153 HB3 LEU 22 HB2 LEU 22 -2.702 2.734 2.524 154 HG LEU 22 HG LEU 22 -1.031 5.190 1.986 155 HD11 LEU 22 HD11 LEU 22 0.354 3.527 3.042 156 HD12 LEU 22 HD12 LEU 22 0.778 3.566 1.350 157 HD13 LEU 22 HD13 LEU 22 -0.239 2.269 1.966 158 HD21 LEU 22 HD21 LEU 22 -2.100 4.939 -0.070 159 HD22 LEU 22 HD22 LEU 22 -2.456 3.237 0.149 160 HD23 LEU 22 HD23 LEU 22 -0.862 3.742 -0.363 161 H ARG 23 H ARG 23 -3.754 4.846 4.961 162 HA ARG 23 HA ARG 23 -5.724 2.881 5.448 163 HB2 ARG 23 HB3 ARG 23 -4.107 3.814 7.126 164 HB3 ARG 23 HB2 ARG 23 -5.107 5.257 7.212 165 HG2 ARG 23 HG3 ARG 23 -7.055 3.250 7.658 166 HG3 ARG 23 HG2 ARG 23 -5.634 2.491 8.348 167 HD2 ARG 23 HD3 ARG 23 -6.608 5.264 9.076 168 HD3 ARG 23 HD2 ARG 23 -6.947 3.803 10.011 169 HE ARG 23 HE ARG 23 -4.158 3.975 9.575 170 HH11 ARG 23 HH21 ARG 23 -6.685 5.539 11.393 171 HH12 ARG 23 HH22 ARG 23 -5.610 6.100 12.629 172 HH21 ARG 23 HH11 ARG 23 -2.790 4.700 11.171 173 HH22 ARG 23 HH12 ARG 23 -3.402 5.625 12.501 174 H GLN 24 H GLN 24 -6.116 6.409 5.424 175 HA GLN 24 HA GLN 24 -8.875 6.515 5.905 176 HB2 GLN 24 HB3 GLN 24 -7.035 8.410 4.405 177 HB3 GLN 24 HB2 GLN 24 -8.680 8.832 4.926 178 HG2 GLN 24 HG3 GLN 24 -8.060 8.363 7.281 179 HG3 GLN 24 HG2 GLN 24 -6.441 7.930 6.785 180 HE21 GLN 24 HE21 GLN 24 -8.334 10.519 7.858 181 HE22 GLN 24 HE22 GLN 24 -7.337 11.783 7.369 182 H ASP 25 H ASP 25 -7.133 6.117 2.806 183 HA ASP 25 HA ASP 25 -9.454 6.498 1.155 184 HB2 ASP 25 HB3 ASP 25 -6.632 5.447 0.755 185 HB3 ASP 25 HB2 ASP 25 -7.804 5.524 -0.561 186 H LEU 26 H LEU 26 -7.444 3.793 2.347 187 HA LEU 26 HA LEU 26 -8.886 1.720 1.006 188 HB2 LEU 26 HB3 LEU 26 -7.206 1.517 3.519 189 HB3 LEU 26 HB2 LEU 26 -7.833 0.129 2.647 190 HG LEU 26 HG LEU 26 -6.095 2.140 1.143 191 HD11 LEU 26 HD11 LEU 26 -5.000 -0.277 2.663 192 HD12 LEU 26 HD12 LEU 26 -4.799 1.389 3.202 193 HD13 LEU 26 HD13 LEU 26 -4.088 0.876 1.691 194 HD21 LEU 26 HD21 LEU 26 -6.595 -0.845 0.773 195 HD22 LEU 26 HD22 LEU 26 -5.552 0.132 -0.245 196 HD23 LEU 26 HD23 LEU 26 -7.275 0.438 -0.217 197 H LYS 27 H LYS 27 -9.532 3.316 4.026 198 HA LYS 27 HA LYS 27 -11.291 1.428 5.227 199 HB2 LYS 27 HB3 LYS 27 -10.373 3.613 6.168 200 HB3 LYS 27 HB2 LYS 27 -11.631 4.462 5.273 201 HG2 LYS 27 HG3 LYS 27 -13.347 2.971 6.496 202 HG3 LYS 27 HG2 LYS 27 -12.016 2.391 7.498 203 HD2 LYS 27 HD3 LYS 27 -12.985 5.280 7.268 204 HD3 LYS 27 HD2 LYS 27 -13.207 4.217 8.652 205 HE2 LYS 27 HE3 LYS 27 -10.584 4.098 8.744 206 HE3 LYS 27 HE2 LYS 27 -10.612 5.519 7.677 207 HZ1 LYS 27 HZ1 LYS 27 -12.107 6.573 9.323 208 HZ2 LYS 27 HZ2 LYS 27 -10.561 6.233 9.942 209 HZ3 LYS 27 HZ3 LYS 27 -11.882 5.247 10.355 210 H GLY 28 H GLY 28 -11.920 3.994 2.847 211 HA2 GLY 28 HA3 GLY 28 -14.726 3.690 2.582 212 HA3 GLY 28 HA2 GLY 28 -13.651 4.405 1.386 213 H LYS 29 H LYS 29 -12.037 1.997 1.012 214 HA LYS 29 HA LYS 29 -13.555 0.719 -1.055 215 HB2 LYS 29 HB3 LYS 29 -10.912 -0.179 0.183 216 HB3 LYS 29 HB2 LYS 29 -11.518 -0.571 -1.425 217 HG2 LYS 29 HG3 LYS 29 -10.785 2.243 -0.514 218 HG3 LYS 29 HG2 LYS 29 -9.719 1.195 -1.434 219 HD2 LYS 29 HD3 LYS 29 -11.419 1.122 -3.277 220 HD3 LYS 29 HD2 LYS 29 -12.437 2.229 -2.370 221 HE2 LYS 29 HE3 LYS 29 -10.676 3.962 -2.459 222 HE3 LYS 29 HE2 LYS 29 -9.642 2.856 -3.374 223 HZ1 LYS 29 HZ1 LYS 29 -12.384 3.397 -4.296 224 HZ2 LYS 29 HZ2 LYS 29 -11.022 2.923 -5.194 225 HZ3 LYS 29 HZ3 LYS 29 -11.157 4.519 -4.628 226 H GLY 30 H GLY 30 -13.971 0.354 2.093 227 HA2 GLY 30 HA3 GLY 30 -15.094 -1.180 3.385 228 HA3 GLY 30 HA2 GLY 30 -15.434 -2.078 1.911 229 H HIS 31 H HIS 31 -12.062 -1.440 2.706 230 HA HIS 31 HA HIS 31 -11.485 -4.251 2.881 231 HB2 HIS 31 HB3 HIS 31 -9.800 -1.737 3.268 232 HB3 HIS 31 HB2 HIS 31 -9.145 -3.377 3.370 233 HD2 HIS 31 HD2 HIS 31 -7.679 -3.082 0.929 234 HE1 HIS 31 HE1 HIS 31 -11.132 -2.990 -1.497 235 HE2 HIS 31 HE2 HIS 31 -8.594 -3.216 -1.518 236 H THR 32 H THR 32 -10.272 -5.151 4.679 237 HA THR 32 HA THR 32 -11.689 -4.630 7.215 238 HB THR 32 HB THR 32 -10.810 -6.821 7.888 239 HG1 THR 32 HG1 THR 32 -8.852 -6.948 7.008 240 HG21 THR 32 HG21 THR 32 -12.850 -6.762 6.412 241 HG22 THR 32 HG22 THR 32 -11.887 -8.221 6.164 242 HG23 THR 32 HG23 THR 32 -11.799 -6.905 5.000 243 H ASP 33 H ASP 33 -10.457 -4.696 9.248 244 HA ASP 33 HA ASP 33 -8.455 -2.702 9.299 245 HB2 ASP 33 HB3 ASP 33 -9.105 -4.813 11.399 246 HB3 ASP 33 HB2 ASP 33 -8.204 -3.323 11.691 247 H ALA 34 H ALA 34 -8.221 -6.263 9.450 248 HA ALA 34 HA ALA 34 -5.436 -6.451 9.871 249 HB1 ALA 34 HB1 ALA 34 -6.992 -8.365 10.081 250 HB2 ALA 34 HB2 ALA 34 -5.657 -8.757 8.992 251 HB3 ALA 34 HB3 ALA 34 -7.249 -8.357 8.337 252 H GLU 35 H GLU 35 -7.270 -6.459 6.696 253 HA GLU 35 HA GLU 35 -4.948 -6.583 5.094 254 HB2 GLU 35 HB3 GLU 35 -7.768 -5.563 4.569 255 HB3 GLU 35 HB2 GLU 35 -6.584 -5.798 3.285 256 HG2 GLU 35 HG3 GLU 35 -7.556 -8.017 5.154 257 HG3 GLU 35 HG2 GLU 35 -8.186 -7.742 3.536 258 H ILE 36 H ILE 36 -6.840 -3.836 6.257 259 HA ILE 36 HA ILE 36 -5.624 -1.798 4.728 260 HB ILE 36 HB ILE 36 -6.963 -1.804 7.463 261 HG12 ILE 36 HG13 ILE 36 -7.963 -0.540 4.874 262 HG13 ILE 36 HG12 ILE 36 -8.289 -2.195 5.255 263 HG21 ILE 36 HG21 ILE 36 -5.785 0.573 5.960 264 HG22 ILE 36 HG22 ILE 36 -5.566 0.157 7.654 265 HG23 ILE 36 HG23 ILE 36 -7.098 0.810 7.108 266 HD11 ILE 36 HD11 ILE 36 -9.072 0.168 6.980 267 HD12 ILE 36 HD12 ILE 36 -9.454 -1.534 7.297 268 HD13 ILE 36 HD13 ILE 36 -10.154 -0.713 5.899 269 H GLU 37 H GLU 37 -4.858 -2.881 8.072 270 HA GLU 37 HA GLU 37 -2.742 -1.189 8.502 271 HB2 GLU 37 HB3 GLU 37 -2.183 -2.480 10.443 272 HB3 GLU 37 HB2 GLU 37 -3.930 -2.324 10.300 273 HG2 GLU 37 HG3 GLU 37 -3.940 -4.612 9.267 274 HG3 GLU 37 HG2 GLU 37 -2.251 -4.788 9.627 275 H ALA 38 H ALA 38 -2.789 -4.491 7.242 276 HA ALA 38 HA ALA 38 -0.027 -4.987 7.227 277 HB1 ALA 38 HB1 ALA 38 -1.847 -6.672 6.994 278 HB2 ALA 38 HB2 ALA 38 -0.677 -6.804 5.675 279 HB3 ALA 38 HB3 ALA 38 -2.241 -6.025 5.403 280 H ILE 39 H ILE 39 -2.179 -3.723 4.653 281 HA ILE 39 HA ILE 39 -0.250 -3.701 2.587 282 HB ILE 39 HB ILE 39 -2.913 -2.332 3.024 283 HG12 ILE 39 HG13 ILE 39 -3.285 -3.043 0.578 284 HG13 ILE 39 HG12 ILE 39 -1.663 -3.716 0.585 285 HG21 ILE 39 HG21 ILE 39 -1.817 -0.265 2.361 286 HG22 ILE 39 HG22 ILE 39 -2.621 -0.856 0.926 287 HG23 ILE 39 HG23 ILE 39 -0.881 -1.089 1.098 288 HD11 ILE 39 HD11 ILE 39 -4.060 -4.587 2.203 289 HD12 ILE 39 HD12 ILE 39 -2.432 -5.114 2.646 290 HD13 ILE 39 HD13 ILE 39 -3.111 -5.546 1.078 291 H PHE 40 H PHE 40 -1.067 -1.022 4.812 292 HA PHE 40 HA PHE 40 0.825 0.777 3.621 293 HB2 PHE 40 HB3 PHE 40 0.005 2.346 5.108 294 HB3 PHE 40 HB2 PHE 40 -1.285 1.192 5.282 295 HD1 PHE 40 HD1 PHE 40 1.943 2.367 6.728 296 HD2 PHE 40 HD2 PHE 40 -1.563 0.052 7.406 297 HE1 PHE 40 HE1 PHE 40 2.568 2.165 9.091 298 HE2 PHE 40 HE2 PHE 40 -0.964 -0.210 9.802 299 HZ PHE 40 HZ PHE 40 1.130 0.852 10.654 300 H THR 41 H THR 41 0.943 -1.485 6.288 301 HA THR 41 HA THR 41 3.346 -0.714 7.474 302 HB THR 41 HB THR 41 1.833 -3.325 7.315 303 HG1 THR 41 HG1 THR 41 0.814 -2.546 8.975 304 HG21 THR 41 HG21 THR 41 4.217 -2.595 9.041 305 HG22 THR 41 HG22 THR 41 4.027 -4.008 7.999 306 HG23 THR 41 HG23 THR 41 3.064 -3.854 9.462 307 H LYS 42 H LYS 42 2.727 -3.154 4.934 308 HA LYS 42 HA LYS 42 5.442 -4.018 4.697 309 HB2 LYS 42 HB3 LYS 42 2.989 -4.109 2.886 310 HB3 LYS 42 HB2 LYS 42 4.515 -4.896 2.444 311 HG2 LYS 42 HG3 LYS 42 4.408 -6.284 4.507 312 HG3 LYS 42 HG2 LYS 42 2.899 -5.499 4.969 313 HD2 LYS 42 HD3 LYS 42 1.817 -6.360 2.874 314 HD3 LYS 42 HD2 LYS 42 3.327 -7.168 2.441 315 HE2 LYS 42 HE3 LYS 42 1.644 -7.738 4.926 316 HE3 LYS 42 HE2 LYS 42 1.798 -8.787 3.514 317 HZ1 LYS 42 HZ1 LYS 42 3.972 -7.984 5.370 318 HZ2 LYS 42 HZ2 LYS 42 4.200 -8.900 3.957 319 HZ3 LYS 42 HZ3 LYS 42 3.274 -9.524 5.239 320 H TYR 43 H TYR 43 3.450 -1.767 2.709 321 HA TYR 43 HA TYR 43 5.647 -0.991 1.059 322 HB2 TYR 43 HB3 TYR 43 2.923 0.218 1.530 323 HB3 TYR 43 HB2 TYR 43 4.092 1.021 0.501 324 HD1 TYR 43 HD1 TYR 43 2.628 -2.436 0.990 325 HD2 TYR 43 HD2 TYR 43 3.992 0.519 -1.852 326 HE1 TYR 43 HE1 TYR 43 1.934 -3.887 -0.890 327 HE2 TYR 43 HE2 TYR 43 3.314 -0.968 -3.699 328 HH TYR 43 HH TYR 43 2.862 -4.045 -3.475 329 H ASP 44 H ASP 44 4.420 0.352 4.103 330 HA ASP 44 HA ASP 44 6.625 2.386 4.047 331 HB2 ASP 44 HB3 ASP 44 4.231 2.566 5.908 332 HB3 ASP 44 HB2 ASP 44 5.254 3.839 5.264 333 H GLN 45 H GLN 45 8.313 1.408 5.054 334 HA GLN 45 HA GLN 45 8.176 -0.686 6.906 335 HB2 GLN 45 HB3 GLN 45 10.355 1.437 6.621 336 HB3 GLN 45 HB2 GLN 45 10.568 -0.140 7.389 337 HG2 GLN 45 HG3 GLN 45 9.818 0.296 4.452 338 HG3 GLN 45 HG2 GLN 45 11.424 -0.114 5.032 339 HE21 GLN 45 HE21 GLN 45 8.162 -1.382 4.520 340 HE22 GLN 45 HE22 GLN 45 8.572 -3.014 4.739 341 H ASP 46 H ASP 46 8.716 2.880 7.744 342 HA ASP 46 HA ASP 46 8.003 2.260 10.561 343 HB2 ASP 46 HB3 ASP 46 10.225 3.293 10.054 344 HB3 ASP 46 HB2 ASP 46 9.415 4.654 9.298 345 H GLY 47 H GLY 47 6.557 3.406 7.726 346 HA2 GLY 47 HA3 GLY 47 4.772 4.851 7.274 347 HA3 GLY 47 HA2 GLY 47 4.105 4.139 8.722 348 H ASP 48 H ASP 48 6.923 6.271 8.383 349 HA ASP 48 HA ASP 48 5.627 8.352 10.105 350 HB2 ASP 48 HB3 ASP 48 7.483 7.045 11.157 351 HB3 ASP 48 HB2 ASP 48 8.572 7.582 9.888 352 H GLN 49 H GLN 49 7.247 7.703 7.099 353 HA GLN 49 HA GLN 49 7.280 10.623 6.423 354 HB2 GLN 49 HB3 GLN 49 9.358 10.198 5.080 355 HB3 GLN 49 HB2 GLN 49 9.615 9.978 6.806 356 HG2 GLN 49 HG3 GLN 49 9.054 7.654 4.886 357 HG3 GLN 49 HG2 GLN 49 10.666 8.170 5.349 358 HE21 GLN 49 HE21 GLN 49 8.203 6.011 6.180 359 HE22 GLN 49 HE22 GLN 49 8.719 5.650 7.758 360 H GLU 50 H GLU 50 7.772 10.758 3.897 361 HA GLU 50 HA GLU 50 5.480 9.646 2.619 362 HB2 GLU 50 HB3 GLU 50 7.794 11.294 1.526 363 HB3 GLU 50 HB2 GLU 50 6.282 10.968 0.673 364 HG2 GLU 50 HG3 GLU 50 6.545 12.511 3.301 365 HG3 GLU 50 HG2 GLU 50 6.254 13.227 1.721 366 H LEU 51 H LEU 51 5.469 8.162 0.902 367 HA LEU 51 HA LEU 51 7.680 6.245 0.976 368 HB2 LEU 51 HB3 LEU 51 5.282 5.513 1.097 369 HB3 LEU 51 HB2 LEU 51 5.076 6.083 -0.546 370 HG LEU 51 HG LEU 51 6.924 4.442 -1.267 371 HD11 LEU 51 HD11 LEU 51 7.316 2.501 0.288 372 HD12 LEU 51 HD12 LEU 51 6.590 3.461 1.582 373 HD13 LEU 51 HD13 LEU 51 8.076 3.983 0.806 374 HD21 LEU 51 HD21 LEU 51 4.600 3.892 -1.683 375 HD22 LEU 51 HD22 LEU 51 4.368 3.367 -0.028 376 HD23 LEU 51 HD23 LEU 51 5.394 2.432 -1.119 377 H THR 52 H THR 52 9.250 6.300 -0.441 378 HA THR 52 HA THR 52 9.188 7.929 -2.828 379 HB THR 52 HB THR 52 11.212 7.860 -1.444 380 HG1 THR 52 HG1 THR 52 12.494 7.777 -3.139 381 HG21 THR 52 HG21 THR 52 10.983 5.541 -0.551 382 HG22 THR 52 HG22 THR 52 12.565 5.793 -1.280 383 HG23 THR 52 HG23 THR 52 11.335 4.894 -2.153 384 H GLU 53 H GLU 53 10.425 6.891 -4.609 385 HA GLU 53 HA GLU 53 8.518 5.128 -5.871 386 HB2 GLU 53 HB3 GLU 53 9.846 5.434 -7.920 387 HB3 GLU 53 HB2 GLU 53 9.546 6.981 -7.118 388 HG2 GLU 53 HG3 GLU 53 11.863 6.793 -6.061 389 HG3 GLU 53 HG2 GLU 53 12.151 5.381 -7.076 390 H HIS 54 H HIS 54 11.957 4.846 -5.075 391 HA HIS 54 HA HIS 54 12.421 2.291 -6.048 392 HB2 HIS 54 HB3 HIS 54 14.204 3.769 -5.099 393 HB3 HIS 54 HB2 HIS 54 13.622 3.428 -3.473 394 HD2 HIS 54 HD2 HIS 54 14.657 1.081 -2.377 395 HE1 HIS 54 HE1 HIS 54 16.320 -0.515 -5.914 396 HE2 HIS 54 HE2 HIS 54 16.088 -0.843 -3.406 397 H GLU 55 H GLU 55 11.417 3.017 -2.611 398 HA GLU 55 HA GLU 55 10.983 0.354 -1.867 399 HB2 GLU 55 HB3 GLU 55 9.591 2.908 -0.937 400 HB3 GLU 55 HB2 GLU 55 9.558 1.375 -0.062 401 HG2 GLU 55 HG3 GLU 55 12.100 2.962 -0.704 402 HG3 GLU 55 HG2 GLU 55 11.277 2.978 0.848 403 H HIS 56 H HIS 56 8.615 2.762 -3.121 404 HA HIS 56 HA HIS 56 6.368 1.085 -3.098 405 HB2 HIS 56 HB3 HIS 56 6.306 3.562 -3.437 406 HB3 HIS 56 HB2 HIS 56 6.929 3.362 -5.048 407 HD2 HIS 56 HD2 HIS 56 4.139 4.566 -5.479 408 HE1 HIS 56 HE1 HIS 56 2.407 0.719 -5.370 409 HE2 HIS 56 HE2 HIS 56 2.027 3.143 -6.000 410 H GLN 57 H GLN 57 8.533 1.784 -5.965 411 HA GLN 57 HA GLN 57 7.178 0.090 -7.748 412 HB2 GLN 57 HB3 GLN 57 9.901 1.352 -7.646 413 HB3 GLN 57 HB2 GLN 57 9.718 0.036 -8.780 414 HG2 GLN 57 HG3 GLN 57 9.234 2.326 -9.757 415 HG3 GLN 57 HG2 GLN 57 7.941 1.167 -9.961 416 HE21 GLN 57 HE21 GLN 57 8.596 3.025 -7.008 417 HE22 GLN 57 HE22 GLN 57 7.162 3.898 -7.012 418 H GLN 58 H GLN 58 9.733 -0.715 -5.399 419 HA GLN 58 HA GLN 58 10.238 -3.385 -6.302 420 HB2 GLN 58 HB3 GLN 58 10.635 -1.914 -3.664 421 HB3 GLN 58 HB2 GLN 58 11.040 -3.627 -3.790 422 HG2 GLN 58 HG3 GLN 58 12.648 -3.155 -5.603 423 HG3 GLN 58 HG2 GLN 58 12.203 -1.457 -5.607 424 HE21 GLN 58 HE21 GLN 58 14.835 -2.990 -4.856 425 HE22 GLN 58 HE22 GLN 58 15.257 -2.307 -3.359 426 H MET 59 H MET 59 8.144 -2.181 -3.585 427 HA MET 59 HA MET 59 6.988 -4.701 -3.044 428 HB2 MET 59 HB3 MET 59 5.925 -1.894 -2.533 429 HB3 MET 59 HB2 MET 59 5.346 -3.327 -1.730 430 HG2 MET 59 HG3 MET 59 8.168 -2.203 -1.602 431 HG3 MET 59 HG2 MET 59 7.026 -2.176 -0.307 432 HE1 MET 59 HE1 MET 59 5.798 -4.484 0.353 433 HE2 MET 59 HE2 MET 59 6.669 -5.996 0.536 434 HE3 MET 59 HE3 MET 59 5.991 -5.573 -1.030 435 H ARG 60 H ARG 60 6.102 -2.149 -5.244 436 HA ARG 60 HA ARG 60 3.477 -3.028 -5.907 437 HB2 ARG 60 HB3 ARG 60 4.544 -0.875 -6.612 438 HB3 ARG 60 HB2 ARG 60 5.599 -1.777 -7.695 439 HG2 ARG 60 HG3 ARG 60 3.563 -2.607 -8.923 440 HG3 ARG 60 HG2 ARG 60 2.562 -1.631 -7.853 441 HD2 ARG 60 HD3 ARG 60 4.756 -0.503 -9.631 442 HD3 ARG 60 HD2 ARG 60 3.044 -0.552 -10.073 443 HE ARG 60 HE ARG 60 3.376 0.685 -7.527 444 HH11 ARG 60 HH21 ARG 60 3.876 1.276 -10.930 445 HH12 ARG 60 HH22 ARG 60 3.732 2.996 -10.780 446 HH21 ARG 60 HH11 ARG 60 3.189 2.934 -7.366 447 HH22 ARG 60 HH12 ARG 60 3.345 3.925 -8.775 448 H ASP 61 H ASP 61 6.639 -3.827 -7.535 449 HA ASP 61 HA ASP 61 5.673 -5.686 -9.371 450 HB2 ASP 61 HB3 ASP 61 8.353 -5.521 -7.928 451 HB3 ASP 61 HB2 ASP 61 8.065 -6.528 -9.351 452 H ASP 62 H ASP 62 6.568 -6.067 -6.004 453 HA ASP 62 HA ASP 62 6.491 -8.931 -5.861 454 HB2 ASP 62 HB3 ASP 62 6.031 -6.908 -3.628 455 HB3 ASP 62 HB2 ASP 62 6.389 -8.614 -3.414 456 H LEU 63 H LEU 63 4.119 -6.334 -5.494 457 HA LEU 63 HA LEU 63 1.960 -7.776 -4.463 458 HB2 LEU 63 HB3 LEU 63 2.169 -5.240 -4.865 459 HB3 LEU 63 HB2 LEU 63 1.640 -5.544 -6.493 460 HG LEU 63 HG LEU 63 -0.400 -6.835 -5.285 461 HD11 LEU 63 HD11 LEU 63 -1.065 -5.861 -3.143 462 HD12 LEU 63 HD12 LEU 63 0.357 -4.827 -3.129 463 HD13 LEU 63 HD13 LEU 63 0.537 -6.559 -2.967 464 HD21 LEU 63 HD21 LEU 63 -0.776 -4.928 -6.718 465 HD22 LEU 63 HD22 LEU 63 -0.148 -3.819 -5.523 466 HD23 LEU 63 HD23 LEU 63 -1.690 -4.647 -5.240 467 H GLU 64 H GLU 64 2.838 -7.140 -7.883 468 HA GLU 64 HA GLU 64 0.671 -8.598 -9.063 469 HB2 GLU 64 HB3 GLU 64 3.495 -8.077 -10.090 470 HB3 GLU 64 HB2 GLU 64 2.165 -8.668 -11.093 471 HG2 GLU 64 HG3 GLU 64 0.868 -6.598 -10.609 472 HG3 GLU 64 HG2 GLU 64 2.173 -6.005 -9.585 473 H LYS 65 H LYS 65 3.950 -9.646 -8.142 474 HA LYS 65 HA LYS 65 3.852 -12.324 -9.090 475 HB2 LYS 65 HB3 LYS 65 5.452 -10.977 -6.879 476 HB3 LYS 65 HB2 LYS 65 5.769 -12.643 -7.398 477 HG2 LYS 65 HG3 LYS 65 6.240 -11.828 -9.710 478 HG3 LYS 65 HG2 LYS 65 5.927 -10.175 -9.196 479 HD2 LYS 65 HD3 LYS 65 7.813 -10.329 -7.552 480 HD3 LYS 65 HD2 LYS 65 8.124 -11.984 -8.073 481 HE2 LYS 65 HE3 LYS 65 8.632 -11.157 -10.371 482 HE3 LYS 65 HE2 LYS 65 8.345 -9.500 -9.829 483 HZ1 LYS 65 HZ1 LYS 65 10.200 -11.051 -8.217 484 HZ2 LYS 65 HZ2 LYS 65 10.287 -9.431 -8.725 485 HZ3 LYS 65 HZ3 LYS 65 10.733 -10.682 -9.785 486 H GLU 66 H GLU 66 3.254 -11.113 -5.745 487 HA GLU 66 HA GLU 66 2.730 -13.717 -4.647 488 HB2 GLU 66 HB3 GLU 66 2.059 -12.546 -2.606 489 HB3 GLU 66 HB2 GLU 66 3.474 -11.741 -3.291 490 HG2 GLU 66 HG3 GLU 66 1.838 -10.121 -4.413 491 HG3 GLU 66 HG2 GLU 66 0.566 -10.799 -3.430 492 H ARG 67 H ARG 67 0.600 -11.078 -5.773 493 HA ARG 67 HA ARG 67 -1.880 -12.230 -5.129 494 HB2 ARG 67 HB3 ARG 67 -1.085 -10.324 -7.351 495 HB3 ARG 67 HB2 ARG 67 -2.756 -10.861 -7.182 496 HG2 ARG 67 HG3 ARG 67 -2.782 -9.956 -4.829 497 HG3 ARG 67 HG2 ARG 67 -1.150 -9.346 -5.059 498 HD2 ARG 67 HD3 ARG 67 -3.618 -8.551 -6.678 499 HD3 ARG 67 HD2 ARG 67 -2.800 -7.541 -5.482 500 HE ARG 67 HE ARG 67 -0.832 -8.180 -7.322 501 HH11 ARG 67 HH21 ARG 67 -3.966 -6.648 -7.455 502 HH12 ARG 67 HH22 ARG 67 -3.554 -5.633 -8.797 503 HH21 ARG 67 HH11 ARG 67 -0.318 -6.840 -9.082 504 HH22 ARG 67 HH12 ARG 67 -1.501 -5.740 -9.711 505 H GLU 68 H GLU 68 0.084 -12.705 -8.118 506 HA GLU 68 HA GLU 68 -1.773 -14.342 -9.500 507 HB2 GLU 68 HB3 GLU 68 0.291 -13.307 -10.496 508 HB3 GLU 68 HB2 GLU 68 1.279 -14.471 -9.616 509 HG2 GLU 68 HG3 GLU 68 0.141 -16.346 -10.836 510 HG3 GLU 68 HG2 GLU 68 -0.850 -15.177 -11.701 511 H ASP 69 H ASP 69 1.201 -15.478 -7.830 512 HA ASP 69 HA ASP 69 0.577 -18.189 -7.715 513 HB2 ASP 69 HB3 ASP 69 2.080 -16.601 -5.591 514 HB3 ASP 69 HB2 ASP 69 2.189 -18.344 -5.839 515 H LEU 70 H LEU 70 -0.354 -15.655 -5.356 516 HA LEU 70 HA LEU 70 -1.612 -17.320 -3.468 517 HB2 LEU 70 HB3 LEU 70 -0.980 -14.989 -2.965 518 HB3 LEU 70 HB2 LEU 70 -2.148 -14.418 -4.139 519 HG LEU 70 HG LEU 70 -4.012 -15.349 -2.726 520 HD11 LEU 70 HD11 LEU 70 -1.718 -16.264 -0.951 521 HD12 LEU 70 HD12 LEU 70 -3.086 -17.193 -1.565 522 HD13 LEU 70 HD13 LEU 70 -3.339 -16.017 -0.297 523 HD21 LEU 70 HD21 LEU 70 -2.119 -13.522 -1.196 524 HD22 LEU 70 HD22 LEU 70 -3.843 -13.718 -0.867 525 HD23 LEU 70 HD23 LEU 70 -3.313 -13.003 -2.389 526 H ASP 71 H ASP 71 -2.858 -15.756 -6.400 527 HA ASP 71 HA ASP 71 -5.619 -16.153 -5.984 528 HB2 ASP 71 HB3 ASP 71 -4.649 -14.714 -7.797 529 HB3 ASP 71 HB2 ASP 71 -4.164 -16.158 -8.671 530 H LEU 72 H LEU 72 -3.292 -18.191 -7.790 531 HA LEU 72 HA LEU 72 -5.115 -20.333 -8.329 532 HB2 LEU 72 HB3 LEU 72 -2.094 -20.017 -8.317 533 HB3 LEU 72 HB2 LEU 72 -2.788 -21.622 -8.558 534 HG LEU 72 HG LEU 72 -4.060 -20.775 -10.538 535 HD11 LEU 72 HD11 LEU 72 -4.389 -18.433 -10.009 536 HD12 LEU 72 HD12 LEU 72 -3.416 -18.482 -11.467 537 HD13 LEU 72 HD13 LEU 72 -2.651 -18.146 -9.915 538 HD21 LEU 72 HD21 LEU 72 -1.797 -21.755 -10.868 539 HD22 LEU 72 HD22 LEU 72 -1.071 -20.159 -10.663 540 HD23 LEU 72 HD23 LEU 72 -2.109 -20.487 -12.054 541 H ASP 73 H ASP 73 -2.753 -19.776 -5.676 542 HA ASP 73 HA ASP 73 -3.119 -22.283 -4.366 543 HB2 ASP 73 HB3 ASP 73 -1.209 -20.729 -3.900 544 HB3 ASP 73 HB2 ASP 73 -2.319 -19.608 -3.134 545 H HIS 74 H HIS 74 -4.734 -22.980 -3.031 546 HA HIS 74 HA HIS 74 -7.217 -21.613 -2.862 547 HB2 HIS 74 HB3 HIS 74 -6.976 -24.092 -2.739 548 HB3 HIS 74 HB2 HIS 74 -6.163 -23.940 -1.185 549 HD2 HIS 74 HD2 HIS 74 -9.798 -23.299 -2.664 550 HE1 HIS 74 HE1 HIS 74 -10.047 -23.432 1.549 551 HE2 HIS 74 HE2 HIS 74 -11.391 -23.221 -0.596 552 H SER 75 H SER 75 -4.527 -22.008 -0.597 553 HA SER 75 HA SER 75 -3.982 -21.010 1.394 554 HB2 SER 75 HB3 SER 75 -3.899 -19.004 -0.067 555 HB3 SER 75 HB2 SER 75 -5.599 -18.695 0.252 556 HG SER 75 HG SER 75 -3.585 -18.909 2.248 557 H SER 76 H SER 76 -5.271 -19.373 3.167 558 HA SER 76 HA SER 76 -7.096 -21.111 4.474 559 HB2 SER 76 HB3 SER 76 -6.639 -18.128 4.860 560 HB3 SER 76 HB2 SER 76 -7.501 -19.171 5.993 561 HG SER 76 HG SER 76 -4.930 -18.715 5.879 562 H LEU 77 H LEU 77 -7.575 -18.305 2.363 563 HA LEU 77 HA LEU 77 -10.349 -17.962 2.710 564 HB2 LEU 77 HB3 LEU 77 -8.342 -17.159 0.580 565 HB3 LEU 77 HB2 LEU 77 -10.045 -16.875 0.250 566 HG LEU 77 HG LEU 77 -10.222 -15.520 2.346 567 HD11 LEU 77 HD11 LEU 77 -7.243 -16.127 2.595 568 HD12 LEU 77 HD12 LEU 77 -8.525 -16.473 3.761 569 HD13 LEU 77 HD13 LEU 77 -8.035 -14.812 3.473 570 HD21 LEU 77 HD21 LEU 77 -9.705 -14.377 0.206 571 HD22 LEU 77 HD22 LEU 77 -7.979 -14.597 0.497 572 HD23 LEU 77 HD23 LEU 77 -8.930 -13.555 1.560 573 HA PRO 78 HA PRO 78 -12.034 -21.416 0.334 574 HB2 PRO 78 HB3 PRO 78 -14.495 -20.482 -0.465 575 HB3 PRO 78 HB2 PRO 78 -14.136 -20.761 1.260 576 HG2 PRO 78 HG3 PRO 78 -13.940 -18.160 -0.294 577 HG3 PRO 78 HG2 PRO 78 -14.805 -18.467 1.236 578 HD2 PRO 78 HD2 PRO 78 -12.303 -17.392 1.279 579 HD3 PRO 78 HD3 PRO 78 -12.766 -18.608 2.501 Start of MODEL 17 1 H1 ASN 1 1H ASN 1 -14.873 -6.306 -15.218 2 H2 ASN 1 2H ASN 1 -15.403 -4.723 -14.899 3 H3 ASN 1 3H ASN 1 -16.346 -6.051 -14.418 4 HA ASN 1 HA ASN 1 -14.598 -6.746 -12.879 5 HB2 ASN 1 HB3 ASN 1 -13.343 -4.099 -13.757 6 HB3 ASN 1 HB2 ASN 1 -12.748 -5.111 -12.441 7 HD21 ASN 1 HD21 ASN 1 -11.461 -4.347 -15.109 8 HD22 ASN 1 HD22 ASN 1 -11.039 -5.831 -15.816 9 H THR 2 H THR 2 -16.603 -6.517 -11.727 10 HA THR 2 HA THR 2 -17.823 -4.043 -11.041 11 HB THR 2 HB THR 2 -17.947 -6.661 -9.461 12 HG1 THR 2 HG1 THR 2 -18.539 -7.262 -11.411 13 HG21 THR 2 HG21 THR 2 -19.965 -4.392 -9.779 14 HG22 THR 2 HG22 THR 2 -19.027 -4.719 -8.320 15 HG23 THR 2 HG23 THR 2 -20.233 -5.880 -8.874 16 H VAL 3 H VAL 3 -15.550 -6.153 -9.230 17 HA VAL 3 HA VAL 3 -15.326 -4.538 -6.908 18 HB VAL 3 HB VAL 3 -14.695 -6.935 -6.945 19 HG11 VAL 3 HG11 VAL 3 -12.323 -6.095 -8.689 20 HG12 VAL 3 HG12 VAL 3 -13.717 -7.018 -9.245 21 HG13 VAL 3 HG13 VAL 3 -12.618 -7.712 -8.053 22 HG21 VAL 3 HG21 VAL 3 -13.600 -5.334 -5.268 23 HG22 VAL 3 HG22 VAL 3 -12.200 -5.261 -6.334 24 HG23 VAL 3 HG23 VAL 3 -12.661 -6.792 -5.593 25 H ASP 4 H ASP 4 -13.941 -4.318 -10.050 26 HA ASP 4 HA ASP 4 -12.583 -2.816 -11.085 27 HB2 ASP 4 HB3 ASP 4 -14.032 -1.097 -9.937 28 HB3 ASP 4 HB2 ASP 4 -12.906 -1.067 -8.592 29 H ASP 5 H ASP 5 -10.359 -1.625 -10.750 30 HA ASP 5 HA ASP 5 -8.567 -3.568 -9.505 31 HB2 ASP 5 HB3 ASP 5 -8.084 -2.497 -11.719 32 HB3 ASP 5 HB2 ASP 5 -7.927 -0.937 -10.923 33 H ILE 6 H ILE 6 -8.791 -3.411 -7.272 34 HA ILE 6 HA ILE 6 -8.865 -0.953 -5.781 35 HB ILE 6 HB ILE 6 -8.459 -2.472 -3.796 36 HG12 ILE 6 HG13 ILE 6 -8.367 -4.732 -5.880 37 HG13 ILE 6 HG12 ILE 6 -6.934 -4.107 -5.083 38 HG21 ILE 6 HG21 ILE 6 -10.587 -3.780 -4.062 39 HG22 ILE 6 HG22 ILE 6 -10.553 -3.464 -5.796 40 HG23 ILE 6 HG23 ILE 6 -10.771 -2.134 -4.663 41 HD11 ILE 6 HD11 ILE 6 -7.685 -6.127 -3.962 42 HD12 ILE 6 HD12 ILE 6 -9.280 -5.430 -3.683 43 HD13 ILE 6 HD13 ILE 6 -7.862 -4.748 -2.879 44 H SER 7 H SER 7 -6.338 -2.743 -7.263 45 HA SER 7 HA SER 7 -4.120 -2.080 -5.617 46 HB2 SER 7 HB3 SER 7 -4.199 -2.664 -8.602 47 HB3 SER 7 HB2 SER 7 -2.752 -2.697 -7.595 48 HG SER 7 HG SER 7 -4.000 -4.273 -6.291 49 H GLU 8 H GLU 8 -6.132 0.025 -7.225 50 HA GLU 8 HA GLU 8 -4.242 1.941 -8.310 51 HB2 GLU 8 HB3 GLU 8 -7.205 2.006 -7.595 52 HB3 GLU 8 HB2 GLU 8 -6.387 3.407 -8.288 53 HG2 GLU 8 HG3 GLU 8 -6.486 0.659 -9.631 54 HG3 GLU 8 HG2 GLU 8 -7.603 1.966 -10.002 55 H SER 9 H SER 9 -5.886 1.433 -5.200 56 HA SER 9 HA SER 9 -5.349 3.937 -3.993 57 HB2 SER 9 HB3 SER 9 -6.887 2.303 -2.984 58 HB3 SER 9 HB2 SER 9 -5.550 1.185 -2.720 59 HG SER 9 HG SER 9 -5.284 3.793 -1.760 60 H LEU 10 H LEU 10 -3.449 0.886 -3.853 61 HA LEU 10 HA LEU 10 -1.267 1.896 -2.332 62 HB2 LEU 10 HB3 LEU 10 -1.622 -0.430 -4.261 63 HB3 LEU 10 HB2 LEU 10 -0.038 -0.103 -3.549 64 HG LEU 10 HG LEU 10 -0.996 -0.351 -1.282 65 HD11 LEU 10 HD11 LEU 10 -3.382 -1.354 -1.112 66 HD12 LEU 10 HD12 LEU 10 -3.617 -0.799 -2.760 67 HD13 LEU 10 HD13 LEU 10 -3.265 0.358 -1.474 68 HD21 LEU 10 HD21 LEU 10 -0.084 -2.361 -2.472 69 HD22 LEU 10 HD22 LEU 10 -1.709 -2.700 -3.072 70 HD23 LEU 10 HD23 LEU 10 -1.373 -2.784 -1.362 71 H ARG 11 H ARG 11 -1.832 1.680 -5.885 72 HA ARG 11 HA ARG 11 0.707 2.571 -6.716 73 HB2 ARG 11 HB3 ARG 11 -1.005 1.588 -8.244 74 HB3 ARG 11 HB2 ARG 11 -1.971 3.056 -8.090 75 HG2 ARG 11 HG3 ARG 11 -0.108 4.397 -9.098 76 HG3 ARG 11 HG2 ARG 11 0.869 2.937 -9.225 77 HD2 ARG 11 HD3 ARG 11 -1.812 3.376 -10.611 78 HD3 ARG 11 HD2 ARG 11 -0.236 3.517 -11.396 79 HE ARG 11 HE ARG 11 -1.640 1.083 -10.775 80 HH11 ARG 11 HH21 ARG 11 1.559 2.456 -11.091 81 HH12 ARG 11 HH22 ARG 11 2.308 0.929 -11.423 82 HH21 ARG 11 HH11 ARG 11 -0.633 -0.884 -11.189 83 HH22 ARG 11 HH12 ARG 11 1.073 -0.947 -11.483 84 H GLN 12 H GLN 12 -2.293 4.422 -6.310 85 HA GLN 12 HA GLN 12 -2.768 6.626 -6.043 86 HB2 GLN 12 HB3 GLN 12 -1.633 6.057 -3.865 87 HB3 GLN 12 HB2 GLN 12 -0.129 6.696 -4.510 88 HG2 GLN 12 HG3 GLN 12 -1.113 8.513 -3.221 89 HG3 GLN 12 HG2 GLN 12 -1.393 8.938 -4.897 90 HE21 GLN 12 HE21 GLN 12 -2.968 7.525 -2.021 91 HE22 GLN 12 HE22 GLN 12 -4.553 7.894 -2.503 92 H GLY 13 H GLY 13 0.771 6.966 -6.174 93 HA2 GLY 13 HA3 GLY 13 2.194 7.894 -7.728 94 HA3 GLY 13 HA2 GLY 13 0.867 7.993 -8.883 95 H GLY 14 H GLY 14 0.282 9.281 -5.778 96 HA2 GLY 14 HA3 GLY 14 -0.094 11.993 -6.726 97 HA3 GLY 14 HA2 GLY 14 -0.315 11.397 -5.086 98 H GLY 15 H GLY 15 2.526 10.202 -5.372 99 HA2 GLY 15 HA3 GLY 15 4.765 10.935 -5.298 100 HA3 GLY 15 HA2 GLY 15 4.243 12.612 -5.196 101 H LYS 16 H LYS 16 2.260 12.009 -3.120 102 HA LYS 16 HA LYS 16 4.026 11.550 -0.731 103 HB2 LYS 16 HB3 LYS 16 1.611 13.401 -0.987 104 HB3 LYS 16 HB2 LYS 16 2.596 13.177 0.470 105 HG2 LYS 16 HG3 LYS 16 4.618 13.968 -0.878 106 HG3 LYS 16 HG2 LYS 16 3.514 14.367 -2.194 107 HD2 LYS 16 HD3 LYS 16 3.483 15.574 0.623 108 HD3 LYS 16 HD2 LYS 16 4.021 16.380 -0.847 109 HE2 LYS 16 HE3 LYS 16 1.628 16.006 -1.760 110 HE3 LYS 16 HE2 LYS 16 1.180 15.597 -0.097 111 HZ1 LYS 16 HZ1 LYS 16 1.473 17.714 0.600 112 HZ2 LYS 16 HZ2 LYS 16 1.151 18.079 -1.027 113 HZ3 LYS 16 HZ3 LYS 16 2.753 18.028 -0.465 114 H LEU 17 H LEU 17 3.433 9.903 0.477 115 HA LEU 17 HA LEU 17 0.628 9.152 0.813 116 HB2 LEU 17 HB3 LEU 17 1.533 7.939 -1.261 117 HB3 LEU 17 HB2 LEU 17 2.636 7.102 -0.192 118 HG LEU 17 HG LEU 17 0.300 6.578 1.155 119 HD11 LEU 17 HD11 LEU 17 -0.663 6.649 -1.696 120 HD12 LEU 17 HD12 LEU 17 -1.063 7.874 -0.503 121 HD13 LEU 17 HD13 LEU 17 -1.586 6.221 -0.267 122 HD21 LEU 17 HD21 LEU 17 1.821 4.821 0.448 123 HD22 LEU 17 HD22 LEU 17 1.340 5.022 -1.239 124 HD23 LEU 17 HD23 LEU 17 0.206 4.371 -0.068 125 H ASN 18 H ASN 18 0.284 8.326 2.771 126 HA ASN 18 HA ASN 18 2.329 7.072 4.410 127 HB2 ASN 18 HB3 ASN 18 2.097 8.743 6.240 128 HB3 ASN 18 HB2 ASN 18 2.768 9.496 4.796 129 HD21 ASN 18 HD21 ASN 18 1.700 11.459 4.199 130 HD22 ASN 18 HD22 ASN 18 0.107 11.846 4.643 131 H PHE 19 H PHE 19 1.379 6.313 6.389 132 HA PHE 19 HA PHE 19 -0.617 4.634 6.396 133 HB2 PHE 19 HB3 PHE 19 -1.080 5.106 8.851 134 HB3 PHE 19 HB2 PHE 19 0.626 4.933 8.438 135 HD1 PHE 19 HD1 PHE 19 2.085 6.937 8.139 136 HD2 PHE 19 HD2 PHE 19 -1.963 7.346 9.569 137 HE1 PHE 19 HE1 PHE 19 2.594 9.227 8.904 138 HE2 PHE 19 HE2 PHE 19 -1.449 9.660 10.318 139 HZ PHE 19 HZ PHE 19 0.828 10.599 9.984 140 H ASP 20 H ASP 20 -1.291 8.105 6.803 141 HA ASP 20 HA ASP 20 -4.132 7.759 7.171 142 HB2 ASP 20 HB3 ASP 20 -2.722 9.692 8.041 143 HB3 ASP 20 HB2 ASP 20 -2.645 10.317 6.403 144 H GLU 21 H GLU 21 -2.119 8.872 4.480 145 HA GLU 21 HA GLU 21 -4.178 9.527 2.689 146 HB2 GLU 21 HB3 GLU 21 -1.403 8.524 2.000 147 HB3 GLU 21 HB2 GLU 21 -2.456 9.395 0.887 148 HG2 GLU 21 HG3 GLU 21 -1.417 10.530 3.534 149 HG3 GLU 21 HG2 GLU 21 -0.705 10.874 1.964 150 H LEU 22 H LEU 22 -2.466 6.511 3.069 151 HA LEU 22 HA LEU 22 -3.974 5.146 0.928 152 HB2 LEU 22 HB3 LEU 22 -2.795 3.104 1.786 153 HB3 LEU 22 HB2 LEU 22 -1.737 4.411 1.331 154 HG LEU 22 HG LEU 22 -2.108 4.957 4.092 155 HD11 LEU 22 HD11 LEU 22 -1.732 1.969 3.872 156 HD12 LEU 22 HD12 LEU 22 -3.278 2.694 4.228 157 HD13 LEU 22 HD13 LEU 22 -1.970 2.954 5.322 158 HD21 LEU 22 HD21 LEU 22 0.046 5.089 2.921 159 HD22 LEU 22 HD22 LEU 22 0.127 3.346 2.778 160 HD23 LEU 22 HD23 LEU 22 0.235 4.129 4.333 161 H ARG 23 H ARG 23 -3.958 5.008 4.518 162 HA ARG 23 HA ARG 23 -5.935 3.033 4.793 163 HB2 ARG 23 HB3 ARG 23 -4.566 3.712 6.670 164 HB3 ARG 23 HB2 ARG 23 -5.290 5.325 6.669 165 HG2 ARG 23 HG3 ARG 23 -7.445 4.493 7.406 166 HG3 ARG 23 HG2 ARG 23 -6.981 2.825 7.112 167 HD2 ARG 23 HD3 ARG 23 -6.885 3.320 9.504 168 HD3 ARG 23 HD2 ARG 23 -5.255 3.027 8.898 169 HE ARG 23 HE ARG 23 -5.798 5.796 8.724 170 HH11 ARG 23 HH21 ARG 23 -5.247 3.334 11.128 171 HH12 ARG 23 HH22 ARG 23 -4.602 4.440 12.294 172 HH21 ARG 23 HH11 ARG 23 -4.944 7.226 10.262 173 HH22 ARG 23 HH12 ARG 23 -4.433 6.632 11.807 174 H GLN 24 H GLN 24 -6.361 6.535 4.904 175 HA GLN 24 HA GLN 24 -9.098 6.640 5.355 176 HB2 GLN 24 HB3 GLN 24 -7.256 8.475 3.779 177 HB3 GLN 24 HB2 GLN 24 -8.883 8.948 4.271 178 HG2 GLN 24 HG3 GLN 24 -6.957 7.879 6.378 179 HG3 GLN 24 HG2 GLN 24 -6.789 9.548 5.834 180 HE21 GLN 24 HE21 GLN 24 -8.226 7.727 8.223 181 HE22 GLN 24 HE22 GLN 24 -9.499 8.774 8.626 182 H ASP 25 H ASP 25 -7.339 6.140 2.283 183 HA ASP 25 HA ASP 25 -9.646 6.420 0.624 184 HB2 ASP 25 HB3 ASP 25 -7.274 6.839 -0.121 185 HB3 ASP 25 HB2 ASP 25 -6.908 5.136 0.135 186 H LEU 26 H LEU 26 -7.600 3.821 1.993 187 HA LEU 26 HA LEU 26 -9.001 1.632 0.771 188 HB2 LEU 26 HB3 LEU 26 -7.261 1.640 3.243 189 HB3 LEU 26 HB2 LEU 26 -7.853 0.172 2.487 190 HG LEU 26 HG LEU 26 -6.243 2.148 0.798 191 HD11 LEU 26 HD11 LEU 26 -4.167 0.913 1.371 192 HD12 LEU 26 HD12 LEU 26 -5.057 -0.036 2.567 193 HD13 LEU 26 HD13 LEU 26 -4.852 1.694 2.783 194 HD21 LEU 26 HD21 LEU 26 -7.399 0.247 -0.357 195 HD22 LEU 26 HD22 LEU 26 -6.526 -0.884 0.663 196 HD23 LEU 26 HD23 LEU 26 -5.654 0.126 -0.479 197 H LYS 27 H LYS 27 -9.572 3.334 3.811 198 HA LYS 27 HA LYS 27 -11.321 1.468 5.045 199 HB2 LYS 27 HB3 LYS 27 -10.432 3.554 6.055 200 HB3 LYS 27 HB2 LYS 27 -11.426 4.499 4.946 201 HG2 LYS 27 HG3 LYS 27 -13.490 3.629 5.965 202 HG3 LYS 27 HG2 LYS 27 -12.564 2.499 6.959 203 HD2 LYS 27 HD3 LYS 27 -13.278 4.477 8.281 204 HD3 LYS 27 HD2 LYS 27 -11.521 4.379 8.186 205 HE2 LYS 27 HE3 LYS 27 -11.399 6.235 6.636 206 HE3 LYS 27 HE2 LYS 27 -13.129 6.124 6.257 207 HZ1 LYS 27 HZ1 LYS 27 -13.651 7.341 8.027 208 HZ2 LYS 27 HZ2 LYS 27 -12.001 7.729 8.154 209 HZ3 LYS 27 HZ3 LYS 27 -12.648 6.445 9.060 210 H GLY 28 H GLY 28 -12.002 4.029 2.644 211 HA2 GLY 28 HA3 GLY 28 -14.783 3.680 2.327 212 HA3 GLY 28 HA2 GLY 28 -13.691 4.357 1.128 213 H LYS 29 H LYS 29 -12.046 2.019 0.790 214 HA LYS 29 HA LYS 29 -13.547 0.597 -1.214 215 HB2 LYS 29 HB3 LYS 29 -10.838 -0.105 0.018 216 HB3 LYS 29 HB2 LYS 29 -11.458 -0.655 -1.528 217 HG2 LYS 29 HG3 LYS 29 -10.850 2.244 -0.898 218 HG3 LYS 29 HG2 LYS 29 -9.746 1.177 -1.744 219 HD2 LYS 29 HD3 LYS 29 -11.442 0.858 -3.540 220 HD3 LYS 29 HD2 LYS 29 -12.538 1.946 -2.708 221 HE2 LYS 29 HE3 LYS 29 -10.958 3.810 -2.975 222 HE3 LYS 29 HE2 LYS 29 -9.809 2.734 -3.783 223 HZ1 LYS 29 HZ1 LYS 29 -12.521 2.703 -4.822 224 HZ2 LYS 29 HZ2 LYS 29 -11.038 2.672 -5.651 225 HZ3 LYS 29 HZ3 LYS 29 -11.664 4.144 -5.078 226 H GLY 30 H GLY 30 -13.728 0.327 1.985 227 HA2 GLY 30 HA3 GLY 30 -14.775 -1.163 3.402 228 HA3 GLY 30 HA2 GLY 30 -15.202 -2.117 1.986 229 H HIS 31 H HIS 31 -11.785 -1.395 2.522 230 HA HIS 31 HA HIS 31 -11.110 -4.167 2.665 231 HB2 HIS 31 HB3 HIS 31 -9.568 -1.567 3.034 232 HB3 HIS 31 HB2 HIS 31 -8.789 -3.135 3.242 233 HD2 HIS 31 HD2 HIS 31 -7.331 -3.197 0.844 234 HE1 HIS 31 HE1 HIS 31 -10.688 -2.893 -1.688 235 HE2 HIS 31 HE2 HIS 31 -8.163 -3.259 -1.633 236 H THR 32 H THR 32 -9.801 -5.090 4.420 237 HA THR 32 HA THR 32 -11.277 -4.724 6.971 238 HB THR 32 HB THR 32 -10.281 -6.894 7.565 239 HG1 THR 32 HG1 THR 32 -8.803 -7.819 6.241 240 HG21 THR 32 HG21 THR 32 -12.333 -6.889 6.104 241 HG22 THR 32 HG22 THR 32 -11.295 -8.279 5.788 242 HG23 THR 32 HG23 THR 32 -11.290 -6.911 4.680 243 H ASP 33 H ASP 33 -10.125 -4.658 8.988 244 HA ASP 33 HA ASP 33 -8.125 -2.651 9.036 245 HB2 ASP 33 HB3 ASP 33 -7.996 -3.212 11.472 246 HB3 ASP 33 HB2 ASP 33 -9.663 -3.050 10.918 247 H ALA 34 H ALA 34 -7.923 -6.202 9.460 248 HA ALA 34 HA ALA 34 -5.171 -6.333 10.055 249 HB1 ALA 34 HB1 ALA 34 -5.323 -8.696 9.329 250 HB2 ALA 34 HB2 ALA 34 -6.854 -8.360 8.512 251 HB3 ALA 34 HB3 ALA 34 -6.751 -8.251 10.268 252 H GLU 35 H GLU 35 -6.805 -6.560 6.811 253 HA GLU 35 HA GLU 35 -4.489 -6.888 5.305 254 HB2 GLU 35 HB3 GLU 35 -7.218 -5.770 4.646 255 HB3 GLU 35 HB2 GLU 35 -6.019 -6.069 3.392 256 HG2 GLU 35 HG3 GLU 35 -7.053 -8.232 5.299 257 HG3 GLU 35 HG2 GLU 35 -7.700 -7.958 3.684 258 H ILE 36 H ILE 36 -6.217 -4.007 6.232 259 HA ILE 36 HA ILE 36 -4.813 -2.125 4.643 260 HB ILE 36 HB ILE 36 -6.256 -1.856 7.310 261 HG12 ILE 36 HG13 ILE 36 -7.019 -0.710 4.581 262 HG13 ILE 36 HG12 ILE 36 -7.485 -2.314 5.062 263 HG21 ILE 36 HG21 ILE 36 -4.953 0.385 5.679 264 HG22 ILE 36 HG22 ILE 36 -4.628 -0.019 7.366 265 HG23 ILE 36 HG23 ILE 36 -6.170 0.656 6.913 266 HD11 ILE 36 HD11 ILE 36 -9.248 -0.581 5.459 267 HD12 ILE 36 HD12 ILE 36 -8.192 0.160 6.663 268 HD13 ILE 36 HD13 ILE 36 -8.788 -1.493 6.902 269 H GLU 37 H GLU 37 -4.269 -3.263 7.980 270 HA GLU 37 HA GLU 37 -2.063 -1.828 8.662 271 HB2 GLU 37 HB3 GLU 37 -2.777 -4.635 9.526 272 HB3 GLU 37 HB2 GLU 37 -1.515 -3.666 10.304 273 HG2 GLU 37 HG3 GLU 37 -3.146 -1.903 10.809 274 HG3 GLU 37 HG2 GLU 37 -4.398 -2.819 10.003 275 H ALA 38 H ALA 38 -2.189 -4.943 7.053 276 HA ALA 38 HA ALA 38 0.571 -5.442 6.932 277 HB1 ALA 38 HB1 ALA 38 -1.667 -6.275 5.040 278 HB2 ALA 38 HB2 ALA 38 -1.239 -7.106 6.530 279 HB3 ALA 38 HB3 ALA 38 -0.093 -7.066 5.186 280 H ILE 39 H ILE 39 -1.651 -3.864 4.574 281 HA ILE 39 HA ILE 39 0.295 -3.589 2.490 282 HB ILE 39 HB ILE 39 -2.335 -2.157 3.074 283 HG12 ILE 39 HG13 ILE 39 -2.854 -2.994 0.657 284 HG13 ILE 39 HG12 ILE 39 -1.327 -3.864 0.740 285 HG21 ILE 39 HG21 ILE 39 -2.100 -0.811 0.893 286 HG22 ILE 39 HG22 ILE 39 -0.374 -1.178 0.947 287 HG23 ILE 39 HG23 ILE 39 -1.124 -0.214 2.217 288 HD11 ILE 39 HD11 ILE 39 -3.746 -4.246 2.491 289 HD12 ILE 39 HD12 ILE 39 -2.188 -5.036 2.795 290 HD13 ILE 39 HD13 ILE 39 -3.087 -5.376 1.319 291 H PHE 40 H PHE 40 -0.632 -1.161 4.958 292 HA PHE 40 HA PHE 40 1.258 0.771 4.046 293 HB2 PHE 40 HB3 PHE 40 0.266 2.156 5.566 294 HB3 PHE 40 HB2 PHE 40 -0.908 0.869 5.738 295 HD1 PHE 40 HD1 PHE 40 -0.904 -0.542 7.653 296 HD2 PHE 40 HD2 PHE 40 2.056 2.506 7.288 297 HE1 PHE 40 HE1 PHE 40 -0.268 -0.959 9.999 298 HE2 PHE 40 HE2 PHE 40 2.695 2.137 9.640 299 HZ PHE 40 HZ PHE 40 1.574 0.392 11.006 300 H THR 41 H THR 41 1.278 -1.669 6.623 301 HA THR 41 HA THR 41 3.686 -0.952 7.855 302 HB THR 41 HB THR 41 2.270 -3.606 7.465 303 HG1 THR 41 HG1 THR 41 2.463 -1.788 9.633 304 HG21 THR 41 HG21 THR 41 3.549 -4.251 9.572 305 HG22 THR 41 HG22 THR 41 4.665 -2.946 9.189 306 HG23 THR 41 HG23 THR 41 4.458 -4.294 8.069 307 H LYS 42 H LYS 42 3.149 -3.205 5.155 308 HA LYS 42 HA LYS 42 5.918 -3.911 4.838 309 HB2 LYS 42 HB3 LYS 42 3.412 -4.148 3.125 310 HB3 LYS 42 HB2 LYS 42 4.975 -4.786 2.583 311 HG2 LYS 42 HG3 LYS 42 5.079 -6.226 4.627 312 HG3 LYS 42 HG2 LYS 42 3.513 -5.609 5.145 313 HD2 LYS 42 HD3 LYS 42 2.475 -6.521 3.040 314 HD3 LYS 42 HD2 LYS 42 4.051 -7.172 2.572 315 HE2 LYS 42 HE3 LYS 42 2.485 -7.945 5.077 316 HE3 LYS 42 HE2 LYS 42 2.693 -8.946 3.637 317 HZ1 LYS 42 HZ1 LYS 42 4.597 -8.295 5.742 318 HZ2 LYS 42 HZ2 LYS 42 5.216 -8.386 4.163 319 HZ3 LYS 42 HZ3 LYS 42 4.418 -9.722 4.843 320 H TYR 43 H TYR 43 3.723 -1.732 2.977 321 HA TYR 43 HA TYR 43 5.824 -0.862 1.247 322 HB2 TYR 43 HB3 TYR 43 3.061 0.231 1.798 323 HB3 TYR 43 HB2 TYR 43 4.171 1.081 0.737 324 HD1 TYR 43 HD1 TYR 43 3.148 -2.561 1.186 325 HD2 TYR 43 HD2 TYR 43 3.676 0.719 -1.575 326 HE1 TYR 43 HE1 TYR 43 2.507 -4.010 -0.715 327 HE2 TYR 43 HE2 TYR 43 3.050 -0.757 -3.435 328 HH TYR 43 HH TYR 43 2.584 -2.757 -4.045 329 H ASP 44 H ASP 44 4.624 0.427 4.300 330 HA ASP 44 HA ASP 44 6.660 2.603 4.195 331 HB2 ASP 44 HB3 ASP 44 4.376 2.490 6.215 332 HB3 ASP 44 HB2 ASP 44 5.226 3.878 5.533 333 H GLN 45 H GLN 45 8.489 1.921 5.167 334 HA GLN 45 HA GLN 45 8.704 -0.311 6.893 335 HB2 GLN 45 HB3 GLN 45 10.523 2.047 6.248 336 HB3 GLN 45 HB2 GLN 45 11.045 0.817 7.396 337 HG2 GLN 45 HG3 GLN 45 11.895 0.358 5.085 338 HG3 GLN 45 HG2 GLN 45 10.844 -0.936 5.658 339 HE21 GLN 45 HE21 GLN 45 8.551 -0.903 4.815 340 HE22 GLN 45 HE22 GLN 45 8.260 -0.218 3.288 341 H ASP 46 H ASP 46 8.829 3.273 7.811 342 HA ASP 46 HA ASP 46 8.362 2.506 10.637 343 HB2 ASP 46 HB3 ASP 46 9.396 5.066 9.332 344 HB3 ASP 46 HB2 ASP 46 9.282 4.767 11.070 345 H GLY 47 H GLY 47 6.630 3.464 7.902 346 HA2 GLY 47 HA3 GLY 47 4.608 4.580 7.574 347 HA3 GLY 47 HA2 GLY 47 4.201 3.923 9.125 348 H ASP 48 H ASP 48 6.841 6.167 8.777 349 HA ASP 48 HA ASP 48 5.303 8.325 10.188 350 HB2 ASP 48 HB3 ASP 48 7.075 7.143 11.526 351 HB3 ASP 48 HB2 ASP 48 8.281 7.673 10.359 352 H GLN 49 H GLN 49 7.076 7.531 7.379 353 HA GLN 49 HA GLN 49 7.349 10.404 6.568 354 HB2 GLN 49 HB3 GLN 49 9.355 9.407 5.131 355 HB3 GLN 49 HB2 GLN 49 9.625 9.782 6.830 356 HG2 GLN 49 HG3 GLN 49 10.568 7.552 6.191 357 HG3 GLN 49 HG2 GLN 49 9.356 7.413 7.460 358 HE21 GLN 49 HE21 GLN 49 8.215 5.493 7.053 359 HE22 GLN 49 HE22 GLN 49 7.636 5.015 5.531 360 H GLU 50 H GLU 50 7.579 10.577 4.157 361 HA GLU 50 HA GLU 50 5.277 9.477 2.884 362 HB2 GLU 50 HB3 GLU 50 7.529 11.244 1.836 363 HB3 GLU 50 HB2 GLU 50 6.045 10.864 0.948 364 HG2 GLU 50 HG3 GLU 50 4.698 11.926 2.774 365 HG3 GLU 50 HG2 GLU 50 6.188 12.332 3.623 366 H LEU 51 H LEU 51 5.289 8.106 1.095 367 HA LEU 51 HA LEU 51 7.516 6.205 1.036 368 HB2 LEU 51 HB3 LEU 51 5.101 5.492 1.148 369 HB3 LEU 51 HB2 LEU 51 4.866 6.176 -0.447 370 HG LEU 51 HG LEU 51 6.692 4.575 -1.298 371 HD11 LEU 51 HD11 LEU 51 6.467 3.503 1.517 372 HD12 LEU 51 HD12 LEU 51 7.915 3.941 0.627 373 HD13 LEU 51 HD13 LEU 51 7.025 2.512 0.168 374 HD21 LEU 51 HD21 LEU 51 4.161 3.385 -0.099 375 HD22 LEU 51 HD22 LEU 51 5.162 2.601 -1.314 376 HD23 LEU 51 HD23 LEU 51 4.328 4.092 -1.707 377 H THR 52 H THR 52 9.055 6.387 -0.352 378 HA THR 52 HA THR 52 9.017 8.100 -2.663 379 HB THR 52 HB THR 52 11.033 7.980 -1.262 380 HG1 THR 52 HG1 THR 52 12.449 7.073 -3.063 381 HG21 THR 52 HG21 THR 52 12.402 5.921 -1.184 382 HG22 THR 52 HG22 THR 52 11.167 5.047 -2.077 383 HG23 THR 52 HG23 THR 52 10.821 5.642 -0.452 384 H GLU 53 H GLU 53 10.221 7.166 -4.484 385 HA GLU 53 HA GLU 53 8.347 5.485 -5.847 386 HB2 GLU 53 HB3 GLU 53 10.991 6.701 -6.707 387 HB3 GLU 53 HB2 GLU 53 9.914 5.863 -7.817 388 HG2 GLU 53 HG3 GLU 53 9.224 8.390 -6.242 389 HG3 GLU 53 HG2 GLU 53 9.603 8.329 -7.962 390 H HIS 54 H HIS 54 11.785 5.175 -5.157 391 HA HIS 54 HA HIS 54 12.192 2.659 -6.284 392 HB2 HIS 54 HB3 HIS 54 14.065 4.045 -5.390 393 HB3 HIS 54 HB2 HIS 54 13.571 3.660 -3.744 394 HD2 HIS 54 HD2 HIS 54 15.371 1.927 -6.778 395 HE1 HIS 54 HE1 HIS 54 15.410 -0.793 -3.550 396 HE2 HIS 54 HE2 HIS 54 16.267 -0.362 -5.901 397 H GLU 55 H GLU 55 11.382 3.263 -2.787 398 HA GLU 55 HA GLU 55 11.028 0.598 -2.072 399 HB2 GLU 55 HB3 GLU 55 11.166 2.619 -0.539 400 HB3 GLU 55 HB2 GLU 55 9.524 3.032 -1.003 401 HG2 GLU 55 HG3 GLU 55 9.426 1.824 1.115 402 HG3 GLU 55 HG2 GLU 55 8.764 0.763 -0.113 403 H HIS 56 H HIS 56 8.596 2.986 -3.194 404 HA HIS 56 HA HIS 56 6.330 1.329 -3.087 405 HB2 HIS 56 HB3 HIS 56 6.164 3.773 -3.434 406 HB3 HIS 56 HB2 HIS 56 6.937 3.627 -4.993 407 HD2 HIS 56 HD2 HIS 56 4.907 3.874 -6.849 408 HE1 HIS 56 HE1 HIS 56 2.065 1.412 -4.936 409 HE2 HIS 56 HE2 HIS 56 2.567 2.759 -7.031 410 H GLN 57 H GLN 57 8.416 2.051 -5.973 411 HA GLN 57 HA GLN 57 7.045 0.331 -7.731 412 HB2 GLN 57 HB3 GLN 57 9.823 1.548 -7.704 413 HB3 GLN 57 HB2 GLN 57 9.505 0.275 -8.868 414 HG2 GLN 57 HG3 GLN 57 8.994 2.210 -10.116 415 HG3 GLN 57 HG2 GLN 57 7.415 1.722 -9.565 416 HE21 GLN 57 HE21 GLN 57 7.237 2.871 -7.010 417 HE22 GLN 57 HE22 GLN 57 7.429 4.551 -7.119 418 H GLN 58 H GLN 58 9.633 -0.417 -5.411 419 HA GLN 58 HA GLN 58 10.207 -3.025 -6.388 420 HB2 GLN 58 HB3 GLN 58 11.575 -1.618 -4.736 421 HB3 GLN 58 HB2 GLN 58 10.428 -2.091 -3.482 422 HG2 GLN 58 HG3 GLN 58 10.963 -4.523 -3.994 423 HG3 GLN 58 HG2 GLN 58 12.167 -3.977 -5.152 424 HE21 GLN 58 HE21 GLN 58 14.076 -4.631 -4.061 425 HE22 GLN 58 HE22 GLN 58 14.517 -4.071 -2.522 426 H MET 59 H MET 59 8.132 -2.023 -3.571 427 HA MET 59 HA MET 59 7.079 -4.596 -3.046 428 HB2 MET 59 HB3 MET 59 5.792 -1.873 -2.543 429 HB3 MET 59 HB2 MET 59 5.394 -3.382 -1.708 430 HG2 MET 59 HG3 MET 59 8.143 -2.093 -1.652 431 HG3 MET 59 HG2 MET 59 6.954 -1.885 -0.423 432 HE1 MET 59 HE1 MET 59 9.388 -4.260 -2.153 433 HE2 MET 59 HE2 MET 59 9.887 -5.266 -0.793 434 HE3 MET 59 HE3 MET 59 10.126 -3.520 -0.729 435 H ARG 60 H ARG 60 6.075 -2.048 -5.226 436 HA ARG 60 HA ARG 60 3.493 -2.970 -5.848 437 HB2 ARG 60 HB3 ARG 60 4.476 -0.764 -6.531 438 HB3 ARG 60 HB2 ARG 60 5.483 -1.599 -7.715 439 HG2 ARG 60 HG3 ARG 60 3.423 -2.447 -8.845 440 HG3 ARG 60 HG2 ARG 60 2.437 -1.601 -7.651 441 HD2 ARG 60 HD3 ARG 60 2.566 -0.285 -9.690 442 HD3 ARG 60 HD2 ARG 60 3.462 0.552 -8.413 443 HE ARG 60 HE ARG 60 5.241 -1.115 -9.867 444 HH11 ARG 60 HH21 ARG 60 3.353 1.793 -10.290 445 HH12 ARG 60 HH22 ARG 60 4.440 2.479 -11.452 446 HH21 ARG 60 HH11 ARG 60 6.646 -0.192 -11.388 447 HH22 ARG 60 HH12 ARG 60 6.293 1.362 -12.068 448 H ASP 61 H ASP 61 6.640 -3.688 -7.553 449 HA ASP 61 HA ASP 61 5.641 -5.482 -9.439 450 HB2 ASP 61 HB3 ASP 61 8.344 -5.299 -8.041 451 HB3 ASP 61 HB2 ASP 61 8.056 -6.272 -9.489 452 H ASP 62 H ASP 62 6.678 -5.927 -6.105 453 HA ASP 62 HA ASP 62 6.646 -8.792 -6.047 454 HB2 ASP 62 HB3 ASP 62 7.795 -7.383 -4.303 455 HB3 ASP 62 HB2 ASP 62 6.223 -6.855 -3.711 456 H LEU 63 H LEU 63 4.275 -6.237 -5.357 457 HA LEU 63 HA LEU 63 2.227 -7.839 -4.302 458 HB2 LEU 63 HB3 LEU 63 2.407 -5.242 -4.443 459 HB3 LEU 63 HB2 LEU 63 1.691 -5.378 -6.028 460 HG LEU 63 HG LEU 63 -0.177 -6.838 -4.709 461 HD11 LEU 63 HD11 LEU 63 0.855 -5.052 -2.470 462 HD12 LEU 63 HD12 LEU 63 1.025 -6.797 -2.519 463 HD13 LEU 63 HD13 LEU 63 -0.575 -6.082 -2.410 464 HD21 LEU 63 HD21 LEU 63 -0.698 -4.752 -5.890 465 HD22 LEU 63 HD22 LEU 63 -0.065 -3.807 -4.545 466 HD23 LEU 63 HD23 LEU 63 -1.525 -4.786 -4.338 467 H GLU 64 H GLU 64 2.738 -6.765 -7.723 468 HA GLU 64 HA GLU 64 0.502 -8.065 -8.799 469 HB2 GLU 64 HB3 GLU 64 1.979 -6.374 -9.930 470 HB3 GLU 64 HB2 GLU 64 3.229 -7.606 -10.083 471 HG2 GLU 64 HG3 GLU 64 1.991 -7.431 -12.191 472 HG3 GLU 64 HG2 GLU 64 1.664 -8.991 -11.463 473 H LYS 65 H LYS 65 3.806 -9.254 -8.299 474 HA LYS 65 HA LYS 65 3.525 -11.854 -9.428 475 HB2 LYS 65 HB3 LYS 65 5.398 -10.696 -7.313 476 HB3 LYS 65 HB2 LYS 65 5.578 -12.347 -7.925 477 HG2 LYS 65 HG3 LYS 65 5.859 -11.463 -10.235 478 HG3 LYS 65 HG2 LYS 65 5.679 -9.819 -9.642 479 HD2 LYS 65 HD3 LYS 65 7.720 -10.115 -8.204 480 HD3 LYS 65 HD2 LYS 65 7.901 -11.758 -8.830 481 HE2 LYS 65 HE3 LYS 65 8.021 -9.204 -10.501 482 HE3 LYS 65 HE2 LYS 65 9.401 -10.213 -10.056 483 HZ1 LYS 65 HZ1 LYS 65 8.299 -12.075 -11.200 484 HZ2 LYS 65 HZ2 LYS 65 8.675 -10.790 -12.246 485 HZ3 LYS 65 HZ3 LYS 65 7.077 -11.018 -11.716 486 H GLU 66 H GLU 66 3.165 -10.727 -6.046 487 HA GLU 66 HA GLU 66 2.587 -13.303 -4.916 488 HB2 GLU 66 HB3 GLU 66 2.071 -10.448 -3.996 489 HB3 GLU 66 HB2 GLU 66 1.626 -11.836 -2.997 490 HG2 GLU 66 HG3 GLU 66 3.992 -12.587 -2.957 491 HG3 GLU 66 HG2 GLU 66 4.462 -11.252 -3.992 492 H ARG 67 H ARG 67 0.495 -10.621 -6.052 493 HA ARG 67 HA ARG 67 -2.020 -11.555 -5.409 494 HB2 ARG 67 HB3 ARG 67 -0.993 -9.961 -7.773 495 HB3 ARG 67 HB2 ARG 67 -2.689 -10.435 -7.771 496 HG2 ARG 67 HG3 ARG 67 -3.031 -9.285 -5.608 497 HG3 ARG 67 HG2 ARG 67 -1.338 -8.850 -5.538 498 HD2 ARG 67 HD3 ARG 67 -1.582 -7.447 -7.551 499 HD3 ARG 67 HD2 ARG 67 -3.259 -7.958 -7.738 500 HE ARG 67 HE ARG 67 -2.254 -5.952 -5.928 501 HH11 ARG 67 HH21 ARG 67 -4.743 -8.373 -6.329 502 HH12 ARG 67 HH22 ARG 67 -5.851 -7.585 -5.255 503 HH21 ARG 67 HH11 ARG 67 -3.709 -4.959 -4.527 504 HH22 ARG 67 HH12 ARG 67 -5.268 -5.659 -4.243 505 H GLU 68 H GLU 68 0.172 -12.906 -7.756 506 HA GLU 68 HA GLU 68 -1.737 -14.437 -9.265 507 HB2 GLU 68 HB3 GLU 68 0.646 -13.909 -9.971 508 HB3 GLU 68 HB2 GLU 68 1.214 -15.074 -8.779 509 HG2 GLU 68 HG3 GLU 68 -0.091 -16.878 -9.926 510 HG3 GLU 68 HG2 GLU 68 -0.637 -15.709 -11.122 511 H ASP 69 H ASP 69 0.670 -15.588 -6.852 512 HA ASP 69 HA ASP 69 -0.337 -18.141 -6.450 513 HB2 ASP 69 HB3 ASP 69 0.957 -16.376 -4.325 514 HB3 ASP 69 HB2 ASP 69 0.874 -18.138 -4.289 515 H LEU 70 H LEU 70 -1.306 -15.166 -4.809 516 HA LEU 70 HA LEU 70 -3.137 -16.322 -2.953 517 HB2 LEU 70 HB3 LEU 70 -2.545 -13.550 -3.991 518 HB3 LEU 70 HB2 LEU 70 -4.040 -13.760 -3.101 519 HG LEU 70 HG LEU 70 -2.162 -12.982 -1.638 520 HD11 LEU 70 HD11 LEU 70 -4.061 -14.797 -0.894 521 HD12 LEU 70 HD12 LEU 70 -2.840 -14.164 0.194 522 HD13 LEU 70 HD13 LEU 70 -2.612 -15.745 -0.545 523 HD21 LEU 70 HD21 LEU 70 -0.349 -14.204 -2.947 524 HD22 LEU 70 HD22 LEU 70 -0.832 -15.680 -2.124 525 HD23 LEU 70 HD23 LEU 70 -0.209 -14.308 -1.205 526 H ASP 71 H ASP 71 -3.575 -15.036 -6.253 527 HA ASP 71 HA ASP 71 -6.411 -15.104 -6.330 528 HB2 ASP 71 HB3 ASP 71 -5.039 -13.998 -8.090 529 HB3 ASP 71 HB2 ASP 71 -4.434 -15.563 -8.613 530 H LEU 72 H LEU 72 -4.032 -17.560 -7.409 531 HA LEU 72 HA LEU 72 -5.958 -19.600 -8.008 532 HB2 LEU 72 HB3 LEU 72 -2.946 -19.506 -7.641 533 HB3 LEU 72 HB2 LEU 72 -3.722 -21.077 -7.783 534 HG LEU 72 HG LEU 72 -2.863 -20.258 -9.985 535 HD11 LEU 72 HD11 LEU 72 -5.844 -20.158 -10.418 536 HD12 LEU 72 HD12 LEU 72 -5.176 -21.613 -9.684 537 HD13 LEU 72 HD13 LEU 72 -4.592 -21.075 -11.250 538 HD21 LEU 72 HD21 LEU 72 -4.927 -18.021 -9.818 539 HD22 LEU 72 HD22 LEU 72 -3.710 -18.286 -11.069 540 HD23 LEU 72 HD23 LEU 72 -3.210 -17.795 -9.462 541 H ASP 73 H ASP 73 -3.867 -19.049 -5.131 542 HA ASP 73 HA ASP 73 -5.115 -21.286 -3.685 543 HB2 ASP 73 HB3 ASP 73 -2.672 -20.735 -3.452 544 HB3 ASP 73 HB2 ASP 73 -3.100 -19.194 -2.713 545 H HIS 74 H HIS 74 -7.278 -20.661 -3.479 546 HA HIS 74 HA HIS 74 -8.218 -18.099 -2.641 547 HB2 HIS 74 HB3 HIS 74 -9.514 -20.860 -2.421 548 HB3 HIS 74 HB2 HIS 74 -10.365 -19.326 -2.218 549 HD2 HIS 74 HD2 HIS 74 -9.391 -21.707 -5.071 550 HE1 HIS 74 HE1 HIS 74 -10.408 -18.038 -6.894 551 HE2 HIS 74 HE2 HIS 74 -9.910 -20.490 -7.323 552 H SER 75 H SER 75 -7.574 -21.131 -0.922 553 HA SER 75 HA SER 75 -6.770 -19.820 1.504 554 HB2 SER 75 HB3 SER 75 -9.211 -19.534 1.754 555 HB3 SER 75 HB2 SER 75 -9.461 -21.254 1.481 556 HG SER 75 HG SER 75 -8.765 -19.946 3.741 557 H SER 76 H SER 76 -5.424 -21.171 2.587 558 HA SER 76 HA SER 76 -4.681 -23.730 1.592 559 HB2 SER 76 HB3 SER 76 -3.145 -22.303 2.923 560 HB3 SER 76 HB2 SER 76 -4.189 -22.477 4.330 561 HG SER 76 HG SER 76 -2.904 -24.600 2.928 562 H LEU 77 H LEU 77 -6.693 -22.681 4.316 563 HA LEU 77 HA LEU 77 -7.171 -25.244 5.398 564 HB2 LEU 77 HB3 LEU 77 -8.905 -22.759 5.663 565 HB3 LEU 77 HB2 LEU 77 -8.928 -24.155 6.746 566 HG LEU 77 HG LEU 77 -6.571 -22.234 6.336 567 HD11 LEU 77 HD11 LEU 77 -8.406 -22.632 8.747 568 HD12 LEU 77 HD12 LEU 77 -8.451 -21.253 7.647 569 HD13 LEU 77 HD13 LEU 77 -7.040 -21.515 8.669 570 HD21 LEU 77 HD21 LEU 77 -5.538 -24.316 6.881 571 HD22 LEU 77 HD22 LEU 77 -6.809 -24.773 8.016 572 HD23 LEU 77 HD23 LEU 77 -5.653 -23.505 8.432 573 HA PRO 78 HA PRO 78 -10.208 -27.201 2.646 574 HB2 PRO 78 HB3 PRO 78 -11.879 -27.529 5.185 575 HB3 PRO 78 HB2 PRO 78 -11.586 -28.722 3.892 576 HG2 PRO 78 HG3 PRO 78 -10.202 -28.892 6.157 577 HG3 PRO 78 HG2 PRO 78 -9.370 -29.128 4.602 578 HD2 PRO 78 HD2 PRO 78 -9.253 -26.705 6.435 579 HD3 PRO 78 HD3 PRO 78 -7.997 -27.397 5.383 Start of MODEL 18 1 H1 ASN 1 1H ASN 1 -19.363 -1.228 -11.718 2 H2 ASN 1 2H ASN 1 -18.483 -0.523 -10.448 3 H3 ASN 1 3H ASN 1 -18.840 -2.183 -10.417 4 HA ASN 1 HA ASN 1 -16.804 -2.466 -11.245 5 HB2 ASN 1 HB3 ASN 1 -16.747 -2.273 -13.753 6 HB3 ASN 1 HB2 ASN 1 -18.238 -3.017 -13.178 7 HD21 ASN 1 HD21 ASN 1 -20.136 -2.100 -14.036 8 HD22 ASN 1 HD22 ASN 1 -20.248 -0.534 -14.680 9 H THR 2 H THR 2 -17.974 0.716 -11.095 10 HA THR 2 HA THR 2 -15.890 2.230 -12.284 11 HB THR 2 HB THR 2 -16.752 4.106 -10.916 12 HG1 THR 2 HG1 THR 2 -18.722 2.894 -9.633 13 HG21 THR 2 HG21 THR 2 -19.124 4.032 -11.607 14 HG22 THR 2 HG22 THR 2 -19.028 2.288 -11.832 15 HG23 THR 2 HG23 THR 2 -18.117 3.365 -12.894 16 H VAL 3 H VAL 3 -16.185 0.670 -9.124 17 HA VAL 3 HA VAL 3 -14.095 1.941 -7.724 18 HB VAL 3 HB VAL 3 -15.754 0.440 -6.660 19 HG11 VAL 3 HG11 VAL 3 -14.296 -1.866 -8.049 20 HG12 VAL 3 HG12 VAL 3 -15.901 -1.278 -8.476 21 HG13 VAL 3 HG13 VAL 3 -15.627 -2.021 -6.901 22 HG21 VAL 3 HG21 VAL 3 -12.921 -0.671 -6.273 23 HG22 VAL 3 HG22 VAL 3 -14.244 -0.754 -5.114 24 HG23 VAL 3 HG23 VAL 3 -13.526 0.804 -5.520 25 H ASP 4 H ASP 4 -14.071 -0.501 -10.214 26 HA ASP 4 HA ASP 4 -12.433 -1.538 -11.409 27 HB2 ASP 4 HB3 ASP 4 -11.747 0.898 -11.733 28 HB3 ASP 4 HB2 ASP 4 -10.593 0.707 -10.424 29 H ASP 5 H ASP 5 -9.781 -2.118 -10.984 30 HA ASP 5 HA ASP 5 -9.826 -4.099 -8.973 31 HB2 ASP 5 HB3 ASP 5 -7.457 -2.733 -10.330 32 HB3 ASP 5 HB2 ASP 5 -7.368 -4.248 -9.430 33 H ILE 6 H ILE 6 -9.176 -4.087 -6.824 34 HA ILE 6 HA ILE 6 -9.104 -1.636 -5.356 35 HB ILE 6 HB ILE 6 -8.560 -3.150 -3.411 36 HG12 ILE 6 HG13 ILE 6 -8.574 -5.405 -5.504 37 HG13 ILE 6 HG12 ILE 6 -7.099 -4.777 -4.788 38 HG21 ILE 6 HG21 ILE 6 -10.686 -4.468 -3.524 39 HG22 ILE 6 HG22 ILE 6 -10.772 -4.188 -5.261 40 HG23 ILE 6 HG23 ILE 6 -10.935 -2.834 -4.144 41 HD11 ILE 6 HD11 ILE 6 -7.790 -6.813 -3.637 42 HD12 ILE 6 HD12 ILE 6 -9.359 -6.106 -3.264 43 HD13 ILE 6 HD13 ILE 6 -7.896 -5.436 -2.542 44 H SER 7 H SER 7 -6.656 -3.537 -6.897 45 HA SER 7 HA SER 7 -4.347 -2.718 -5.449 46 HB2 SER 7 HB3 SER 7 -4.648 -3.601 -8.344 47 HB3 SER 7 HB2 SER 7 -3.113 -3.486 -7.480 48 HG SER 7 HG SER 7 -5.340 -5.144 -6.924 49 H GLU 8 H GLU 8 -6.476 -0.885 -7.316 50 HA GLU 8 HA GLU 8 -4.637 0.909 -8.623 51 HB2 GLU 8 HB3 GLU 8 -7.024 0.535 -9.341 52 HB3 GLU 8 HB2 GLU 8 -7.573 1.367 -7.889 53 HG2 GLU 8 HG3 GLU 8 -6.366 3.436 -8.630 54 HG3 GLU 8 HG2 GLU 8 -5.804 2.595 -10.068 55 H SER 9 H SER 9 -6.320 0.843 -5.485 56 HA SER 9 HA SER 9 -5.817 3.484 -4.619 57 HB2 SER 9 HB3 SER 9 -6.187 2.539 -2.328 58 HB3 SER 9 HB2 SER 9 -7.380 1.940 -3.481 59 HG SER 9 HG SER 9 -6.656 0.016 -3.131 60 H LEU 10 H LEU 10 -3.921 0.491 -3.961 61 HA LEU 10 HA LEU 10 -1.781 1.738 -2.570 62 HB2 LEU 10 HB3 LEU 10 -1.637 -0.843 -4.216 63 HB3 LEU 10 HB2 LEU 10 -0.672 -0.413 -2.802 64 HG LEU 10 HG LEU 10 -3.673 -1.043 -2.851 65 HD11 LEU 10 HD11 LEU 10 -1.352 -2.505 -1.533 66 HD12 LEU 10 HD12 LEU 10 -2.205 -3.027 -2.978 67 HD13 LEU 10 HD13 LEU 10 -3.047 -2.972 -1.438 68 HD21 LEU 10 HD21 LEU 10 -3.513 -0.829 -0.321 69 HD22 LEU 10 HD22 LEU 10 -3.382 0.692 -1.175 70 HD23 LEU 10 HD23 LEU 10 -1.932 -0.077 -0.546 71 H ARG 11 H ARG 11 -2.254 0.949 -6.001 72 HA ARG 11 HA ARG 11 0.334 1.616 -6.920 73 HB2 ARG 11 HB3 ARG 11 -1.379 0.395 -8.271 74 HB3 ARG 11 HB2 ARG 11 -2.331 1.871 -8.400 75 HG2 ARG 11 HG3 ARG 11 -0.462 2.994 -9.621 76 HG3 ARG 11 HG2 ARG 11 0.526 1.551 -9.438 77 HD2 ARG 11 HD3 ARG 11 -2.114 1.664 -10.955 78 HD3 ARG 11 HD2 ARG 11 -0.511 1.694 -11.706 79 HE ARG 11 HE ARG 11 -0.653 -0.567 -10.020 80 HH11 ARG 11 HH21 ARG 11 -2.056 0.643 -12.970 81 HH12 ARG 11 HH22 ARG 11 -2.331 -0.931 -13.637 82 HH21 ARG 11 HH11 ARG 11 -1.016 -2.611 -10.900 83 HH22 ARG 11 HH12 ARG 11 -1.742 -2.772 -12.465 84 H GLN 12 H GLN 12 -2.663 3.550 -6.849 85 HA GLN 12 HA GLN 12 -3.107 5.785 -6.855 86 HB2 GLN 12 HB3 GLN 12 -1.786 5.652 -4.724 87 HB3 GLN 12 HB2 GLN 12 -0.326 6.039 -5.624 88 HG2 GLN 12 HG3 GLN 12 -1.361 8.232 -6.312 89 HG3 GLN 12 HG2 GLN 12 -2.785 7.841 -5.354 90 HE21 GLN 12 HE21 GLN 12 -2.702 8.720 -3.234 91 HE22 GLN 12 HE22 GLN 12 -1.270 9.112 -2.414 92 H GLY 13 H GLY 13 0.390 5.904 -7.431 93 HA2 GLY 13 HA3 GLY 13 1.370 6.033 -9.662 94 HA3 GLY 13 HA2 GLY 13 0.031 7.054 -10.172 95 H GLY 14 H GLY 14 0.260 8.286 -7.337 96 HA2 GLY 14 HA3 GLY 14 1.820 10.592 -8.031 97 HA3 GLY 14 HA2 GLY 14 1.090 10.243 -6.466 98 H GLY 15 H GLY 15 2.271 7.906 -5.737 99 HA2 GLY 15 HA3 GLY 15 4.401 6.824 -5.385 100 HA3 GLY 15 HA2 GLY 15 5.230 8.354 -5.654 101 H LYS 16 H LYS 16 4.182 10.149 -4.089 102 HA LYS 16 HA LYS 16 5.016 9.508 -1.431 103 HB2 LYS 16 HB3 LYS 16 3.360 11.855 -2.486 104 HB3 LYS 16 HB2 LYS 16 4.074 11.769 -0.871 105 HG2 LYS 16 HG3 LYS 16 6.344 11.690 -1.839 106 HG3 LYS 16 HG2 LYS 16 5.678 11.622 -3.471 107 HD2 LYS 16 HD3 LYS 16 6.452 13.915 -2.968 108 HD3 LYS 16 HD2 LYS 16 4.704 13.900 -3.183 109 HE2 LYS 16 HE3 LYS 16 4.331 14.161 -0.794 110 HE3 LYS 16 HE2 LYS 16 6.010 13.760 -0.423 111 HZ1 LYS 16 HZ1 LYS 16 6.723 15.770 -1.476 112 HZ2 LYS 16 HZ2 LYS 16 5.531 16.145 -0.323 113 HZ3 LYS 16 HZ3 LYS 16 5.142 16.131 -1.976 114 H LEU 17 H LEU 17 3.886 8.619 0.201 115 HA LEU 17 HA LEU 17 0.988 8.833 0.446 116 HB2 LEU 17 HB3 LEU 17 2.384 6.346 -0.546 117 HB3 LEU 17 HB2 LEU 17 1.238 6.042 0.736 118 HG LEU 17 HG LEU 17 0.571 7.486 -1.847 119 HD11 LEU 17 HD11 LEU 17 -0.064 4.642 -1.011 120 HD12 LEU 17 HD12 LEU 17 1.060 5.130 -2.285 121 HD13 LEU 17 HD13 LEU 17 -0.667 5.431 -2.468 122 HD21 LEU 17 HD21 LEU 17 -1.239 8.268 -0.682 123 HD22 LEU 17 HD22 LEU 17 -0.959 7.227 0.700 124 HD23 LEU 17 HD23 LEU 17 -1.877 6.634 -0.688 125 H ASN 18 H ASN 18 0.479 8.836 2.485 126 HA ASN 18 HA ASN 18 2.423 8.097 4.601 127 HB2 ASN 18 HB3 ASN 18 2.096 10.571 4.334 128 HB3 ASN 18 HB2 ASN 18 0.371 10.366 4.568 129 HD21 ASN 18 HD21 ASN 18 3.215 9.020 6.156 130 HD22 ASN 18 HD22 ASN 18 2.697 9.379 7.704 131 H PHE 19 H PHE 19 1.628 6.817 6.152 132 HA PHE 19 HA PHE 19 -0.211 4.958 6.068 133 HB2 PHE 19 HB3 PHE 19 -0.401 4.915 8.529 134 HB3 PHE 19 HB2 PHE 19 1.255 5.224 8.010 135 HD1 PHE 19 HD1 PHE 19 2.302 7.463 8.277 136 HD2 PHE 19 HD2 PHE 19 -1.770 6.764 9.544 137 HE1 PHE 19 HE1 PHE 19 2.300 9.628 9.502 138 HE2 PHE 19 HE2 PHE 19 -1.753 8.924 10.761 139 HZ PHE 19 HZ PHE 19 0.275 10.357 10.734 140 H ASP 20 H ASP 20 -1.092 8.281 6.929 141 HA ASP 20 HA ASP 20 -3.896 7.764 7.448 142 HB2 ASP 20 HB3 ASP 20 -2.642 9.696 8.401 143 HB3 ASP 20 HB2 ASP 20 -2.390 10.344 6.794 144 H GLU 21 H GLU 21 -2.066 9.160 4.753 145 HA GLU 21 HA GLU 21 -4.246 9.805 3.069 146 HB2 GLU 21 HB3 GLU 21 -1.399 9.036 2.368 147 HB3 GLU 21 HB2 GLU 21 -2.508 9.707 1.174 148 HG2 GLU 21 HG3 GLU 21 -1.759 11.131 3.777 149 HG3 GLU 21 HG2 GLU 21 -0.945 11.420 2.245 150 H LEU 22 H LEU 22 -2.407 6.863 3.120 151 HA LEU 22 HA LEU 22 -3.986 5.575 0.995 152 HB2 LEU 22 HB3 LEU 22 -2.637 3.553 1.547 153 HB3 LEU 22 HB2 LEU 22 -1.666 4.957 1.165 154 HG LEU 22 HG LEU 22 -1.828 5.261 3.954 155 HD11 LEU 22 HD11 LEU 22 -1.936 3.359 5.144 156 HD12 LEU 22 HD12 LEU 22 -1.312 2.331 3.851 157 HD13 LEU 22 HD13 LEU 22 -2.977 2.831 3.842 158 HD21 LEU 22 HD21 LEU 22 0.281 5.501 2.892 159 HD22 LEU 22 HD22 LEU 22 0.291 3.855 2.263 160 HD23 LEU 22 HD23 LEU 22 0.531 4.140 3.974 161 H ARG 23 H ARG 23 -3.691 5.166 4.549 162 HA ARG 23 HA ARG 23 -5.518 3.026 4.823 163 HB2 ARG 23 HB3 ARG 23 -4.003 3.705 6.626 164 HB3 ARG 23 HB2 ARG 23 -4.857 5.238 6.793 165 HG2 ARG 23 HG3 ARG 23 -6.799 3.062 7.130 166 HG3 ARG 23 HG2 ARG 23 -5.437 2.750 8.193 167 HD2 ARG 23 HD3 ARG 23 -5.698 4.991 9.182 168 HD3 ARG 23 HD2 ARG 23 -7.027 5.340 8.070 169 HE ARG 23 HE ARG 23 -7.620 2.937 9.432 170 HH11 ARG 23 HH21 ARG 23 -7.275 6.340 10.053 171 HH12 ARG 23 HH22 ARG 23 -8.391 6.349 11.378 172 HH21 ARG 23 HH11 ARG 23 -9.082 2.951 11.149 173 HH22 ARG 23 HH12 ARG 23 -9.416 4.423 11.998 174 H GLN 24 H GLN 24 -6.185 6.494 5.226 175 HA GLN 24 HA GLN 24 -8.910 6.374 5.803 176 HB2 GLN 24 HB3 GLN 24 -7.275 8.480 4.348 177 HB3 GLN 24 HB2 GLN 24 -8.892 8.780 4.989 178 HG2 GLN 24 HG3 GLN 24 -6.776 7.629 6.851 179 HG3 GLN 24 HG2 GLN 24 -6.719 9.351 6.474 180 HE21 GLN 24 HE21 GLN 24 -7.306 10.000 8.645 181 HE22 GLN 24 HE22 GLN 24 -8.867 9.747 9.262 182 H ASP 25 H ASP 25 -7.272 6.236 2.658 183 HA ASP 25 HA ASP 25 -9.612 6.582 1.053 184 HB2 ASP 25 HB3 ASP 25 -6.758 5.612 0.600 185 HB3 ASP 25 HB2 ASP 25 -7.939 5.743 -0.699 186 H LEU 26 H LEU 26 -7.507 3.919 2.214 187 HA LEU 26 HA LEU 26 -8.915 1.799 0.884 188 HB2 LEU 26 HB3 LEU 26 -7.183 1.700 3.362 189 HB3 LEU 26 HB2 LEU 26 -7.782 0.258 2.550 190 HG LEU 26 HG LEU 26 -6.093 2.314 1.041 191 HD11 LEU 26 HD11 LEU 26 -5.059 -0.194 2.430 192 HD12 LEU 26 HD12 LEU 26 -4.780 1.452 2.994 193 HD13 LEU 26 HD13 LEU 26 -4.128 0.942 1.451 194 HD21 LEU 26 HD21 LEU 26 -5.647 0.392 -0.472 195 HD22 LEU 26 HD22 LEU 26 -7.342 0.731 -0.407 196 HD23 LEU 26 HD23 LEU 26 -6.684 -0.618 0.495 197 H LYS 27 H LYS 27 -9.543 3.374 3.923 198 HA LYS 27 HA LYS 27 -11.287 1.459 5.101 199 HB2 LYS 27 HB3 LYS 27 -10.442 3.516 6.191 200 HB3 LYS 27 HB2 LYS 27 -11.415 4.486 5.090 201 HG2 LYS 27 HG3 LYS 27 -13.504 3.628 6.062 202 HG3 LYS 27 HG2 LYS 27 -12.629 2.425 7.008 203 HD2 LYS 27 HD3 LYS 27 -13.331 4.354 8.426 204 HD3 LYS 27 HD2 LYS 27 -11.575 4.197 8.372 205 HE2 LYS 27 HE3 LYS 27 -12.472 6.604 8.109 206 HE3 LYS 27 HE2 LYS 27 -11.353 6.095 6.843 207 HZ1 LYS 27 HZ1 LYS 27 -13.112 5.751 5.353 208 HZ2 LYS 27 HZ2 LYS 27 -13.484 7.219 6.121 209 HZ3 LYS 27 HZ3 LYS 27 -14.294 5.793 6.570 210 H GLY 28 H GLY 28 -11.942 4.065 2.749 211 HA2 GLY 28 HA3 GLY 28 -14.730 3.706 2.416 212 HA3 GLY 28 HA2 GLY 28 -13.649 4.423 1.228 213 H LYS 29 H LYS 29 -11.983 2.076 0.875 214 HA LYS 29 HA LYS 29 -13.460 0.687 -1.157 215 HB2 LYS 29 HB3 LYS 29 -10.757 -0.037 0.069 216 HB3 LYS 29 HB2 LYS 29 -11.367 -0.527 -1.506 217 HG2 LYS 29 HG3 LYS 29 -10.761 2.355 -0.739 218 HG3 LYS 29 HG2 LYS 29 -9.661 1.320 -1.635 219 HD2 LYS 29 HD3 LYS 29 -11.378 1.083 -3.441 220 HD3 LYS 29 HD2 LYS 29 -12.447 2.165 -2.567 221 HE2 LYS 29 HE3 LYS 29 -10.818 4.002 -2.767 222 HE3 LYS 29 HE2 LYS 29 -9.707 2.926 -3.629 223 HZ1 LYS 29 HZ1 LYS 29 -11.284 2.635 -5.363 224 HZ2 LYS 29 HZ2 LYS 29 -11.138 4.307 -5.097 225 HZ3 LYS 29 HZ3 LYS 29 -12.489 3.462 -4.504 226 H GLY 30 H GLY 30 -13.678 0.377 2.028 227 HA2 GLY 30 HA3 GLY 30 -14.724 -1.131 3.415 228 HA3 GLY 30 HA2 GLY 30 -15.121 -2.083 1.988 229 H HIS 31 H HIS 31 -11.710 -1.334 2.571 230 HA HIS 31 HA HIS 31 -11.036 -4.111 2.701 231 HB2 HIS 31 HB3 HIS 31 -9.471 -1.531 3.136 232 HB3 HIS 31 HB2 HIS 31 -8.719 -3.121 3.295 233 HD2 HIS 31 HD2 HIS 31 -7.228 -3.019 0.919 234 HE1 HIS 31 HE1 HIS 31 -10.584 -2.779 -1.624 235 HE2 HIS 31 HE2 HIS 31 -8.051 -3.102 -1.559 236 H THR 32 H THR 32 -9.769 -5.053 4.425 237 HA THR 32 HA THR 32 -11.235 -4.745 6.986 238 HB THR 32 HB THR 32 -10.311 -6.947 7.538 239 HG1 THR 32 HG1 THR 32 -8.717 -7.797 6.419 240 HG21 THR 32 HG21 THR 32 -11.287 -8.278 5.696 241 HG22 THR 32 HG22 THR 32 -11.208 -6.889 4.616 242 HG23 THR 32 HG23 THR 32 -12.303 -6.867 5.999 243 H ASP 33 H ASP 33 -10.030 -4.913 9.008 244 HA ASP 33 HA ASP 33 -8.078 -2.859 9.231 245 HB2 ASP 33 HB3 ASP 33 -8.809 -5.096 11.169 246 HB3 ASP 33 HB2 ASP 33 -7.865 -3.665 11.592 247 H ALA 34 H ALA 34 -7.829 -6.418 9.163 248 HA ALA 34 HA ALA 34 -5.065 -6.641 9.667 249 HB1 ALA 34 HB1 ALA 34 -6.793 -8.427 7.904 250 HB2 ALA 34 HB2 ALA 34 -6.603 -8.584 9.648 251 HB3 ALA 34 HB3 ALA 34 -5.222 -8.866 8.585 252 H GLU 35 H GLU 35 -6.784 -6.382 6.416 253 HA GLU 35 HA GLU 35 -4.413 -6.379 4.903 254 HB2 GLU 35 HB3 GLU 35 -7.186 -5.243 4.359 255 HB3 GLU 35 HB2 GLU 35 -5.937 -5.388 3.118 256 HG2 GLU 35 HG3 GLU 35 -5.873 -7.850 3.444 257 HG3 GLU 35 HG2 GLU 35 -7.079 -7.729 4.711 258 H ILE 36 H ILE 36 -6.431 -3.732 6.049 259 HA ILE 36 HA ILE 36 -5.056 -1.594 4.886 260 HB ILE 36 HB ILE 36 -6.617 -1.707 7.496 261 HG12 ILE 36 HG13 ILE 36 -7.450 -0.466 4.826 262 HG13 ILE 36 HG12 ILE 36 -7.763 -2.130 5.207 263 HG21 ILE 36 HG21 ILE 36 -6.829 0.796 7.348 264 HG22 ILE 36 HG22 ILE 36 -5.629 0.830 6.058 265 HG23 ILE 36 HG23 ILE 36 -5.177 0.317 7.684 266 HD11 ILE 36 HD11 ILE 36 -8.755 0.199 6.867 267 HD12 ILE 36 HD12 ILE 36 -9.136 -1.514 7.104 268 HD13 ILE 36 HD13 ILE 36 -9.712 -0.672 5.664 269 H GLU 37 H GLU 37 -4.625 -2.879 8.242 270 HA GLU 37 HA GLU 37 -2.595 -1.210 9.008 271 HB2 GLU 37 HB3 GLU 37 -2.314 -2.540 10.940 272 HB3 GLU 37 HB2 GLU 37 -4.018 -2.594 10.503 273 HG2 GLU 37 HG3 GLU 37 -3.519 -4.822 9.378 274 HG3 GLU 37 HG2 GLU 37 -1.934 -4.796 10.099 275 H ALA 38 H ALA 38 -2.492 -4.426 7.597 276 HA ALA 38 HA ALA 38 0.288 -4.904 7.758 277 HB1 ALA 38 HB1 ALA 38 -1.393 -6.658 7.355 278 HB2 ALA 38 HB2 ALA 38 -0.226 -6.649 6.032 279 HB3 ALA 38 HB3 ALA 38 -1.822 -5.921 5.810 280 H ILE 39 H ILE 39 -1.710 -3.583 5.113 281 HA ILE 39 HA ILE 39 0.305 -3.418 3.146 282 HB ILE 39 HB ILE 39 -2.436 -2.259 3.542 283 HG12 ILE 39 HG13 ILE 39 -2.662 -2.757 1.019 284 HG13 ILE 39 HG12 ILE 39 -0.995 -3.320 1.049 285 HG21 ILE 39 HG21 ILE 39 -1.474 -0.042 3.155 286 HG22 ILE 39 HG22 ILE 39 -2.345 -0.542 1.753 287 HG23 ILE 39 HG23 ILE 39 -0.604 -0.615 1.740 288 HD11 ILE 39 HD11 ILE 39 -1.816 -4.898 3.005 289 HD12 ILE 39 HD12 ILE 39 -2.246 -5.295 1.337 290 HD13 ILE 39 HD13 ILE 39 -3.423 -4.503 2.378 291 H PHE 40 H PHE 40 -0.704 -0.893 5.435 292 HA PHE 40 HA PHE 40 1.176 1.048 4.429 293 HB2 PHE 40 HB3 PHE 40 0.180 2.540 5.854 294 HB3 PHE 40 HB2 PHE 40 -1.056 1.296 5.972 295 HD1 PHE 40 HD1 PHE 40 1.844 2.855 7.681 296 HD2 PHE 40 HD2 PHE 40 -1.272 -0.031 7.966 297 HE1 PHE 40 HE1 PHE 40 2.277 2.612 10.076 298 HE2 PHE 40 HE2 PHE 40 -0.847 -0.320 10.389 299 HZ PHE 40 HZ PHE 40 0.969 1.017 11.464 300 H THR 41 H THR 41 1.101 -1.225 7.086 301 HA THR 41 HA THR 41 3.429 -0.447 8.424 302 HB THR 41 HB THR 41 1.942 -3.074 8.194 303 HG1 THR 41 HG1 THR 41 0.829 -2.272 9.773 304 HG21 THR 41 HG21 THR 41 3.120 -3.598 10.401 305 HG22 THR 41 HG22 THR 41 4.296 -2.363 9.970 306 HG23 THR 41 HG23 THR 41 4.095 -3.790 8.949 307 H LYS 42 H LYS 42 2.963 -2.855 5.829 308 HA LYS 42 HA LYS 42 5.663 -3.734 5.834 309 HB2 LYS 42 HB3 LYS 42 3.676 -4.949 4.871 310 HB3 LYS 42 HB2 LYS 42 3.612 -3.769 3.561 311 HG2 LYS 42 HG3 LYS 42 5.928 -4.410 2.878 312 HG3 LYS 42 HG2 LYS 42 5.989 -5.575 4.201 313 HD2 LYS 42 HD3 LYS 42 4.076 -6.817 3.187 314 HD3 LYS 42 HD2 LYS 42 4.035 -5.659 1.855 315 HE2 LYS 42 HE3 LYS 42 6.368 -6.294 1.228 316 HE3 LYS 42 HE2 LYS 42 6.407 -7.457 2.558 317 HZ1 LYS 42 HZ1 LYS 42 4.763 -7.511 0.112 318 HZ2 LYS 42 HZ2 LYS 42 4.344 -8.425 1.482 319 HZ3 LYS 42 HZ3 LYS 42 5.830 -8.689 0.701 320 H TYR 43 H TYR 43 3.924 -1.468 3.630 321 HA TYR 43 HA TYR 43 6.304 -0.698 2.214 322 HB2 TYR 43 HB3 TYR 43 3.670 0.832 2.347 323 HB3 TYR 43 HB2 TYR 43 4.832 0.854 1.040 324 HD1 TYR 43 HD1 TYR 43 5.334 -2.296 0.925 325 HD2 TYR 43 HD2 TYR 43 1.728 0.115 1.005 326 HE1 TYR 43 HE1 TYR 43 4.087 -4.089 -0.195 327 HE2 TYR 43 HE2 TYR 43 0.537 -1.729 -0.137 328 HH TYR 43 HH TYR 43 0.876 -4.345 -0.216 329 H ASP 44 H ASP 44 4.685 0.646 5.064 330 HA ASP 44 HA ASP 44 6.731 2.824 5.208 331 HB2 ASP 44 HB3 ASP 44 4.048 3.168 5.226 332 HB3 ASP 44 HB2 ASP 44 4.217 2.751 6.920 333 H GLN 45 H GLN 45 8.391 1.909 6.227 334 HA GLN 45 HA GLN 45 8.392 -0.234 8.023 335 HB2 GLN 45 HB3 GLN 45 10.374 2.038 7.604 336 HB3 GLN 45 HB2 GLN 45 10.737 0.666 8.651 337 HG2 GLN 45 HG3 GLN 45 11.703 0.310 6.393 338 HG3 GLN 45 HG2 GLN 45 10.457 -0.888 6.725 339 HE21 GLN 45 HE21 GLN 45 8.371 -0.638 5.586 340 HE22 GLN 45 HE22 GLN 45 8.279 0.286 4.165 341 H ASP 46 H ASP 46 8.620 3.348 8.975 342 HA ASP 46 HA ASP 46 8.055 2.589 11.778 343 HB2 ASP 46 HB3 ASP 46 10.099 3.925 11.152 344 HB3 ASP 46 HB2 ASP 46 9.055 5.208 10.561 345 H GLY 47 H GLY 47 6.302 3.501 9.075 346 HA2 GLY 47 HA3 GLY 47 4.202 4.376 8.792 347 HA3 GLY 47 HA2 GLY 47 3.979 4.204 10.499 348 H ASP 48 H ASP 48 6.660 6.082 9.517 349 HA ASP 48 HA ASP 48 5.245 8.659 10.075 350 HB2 ASP 48 HB3 ASP 48 6.779 7.903 11.909 351 HB3 ASP 48 HB2 ASP 48 8.126 7.929 10.778 352 H GLN 49 H GLN 49 7.060 6.861 7.822 353 HA GLN 49 HA GLN 49 8.082 9.288 6.391 354 HB2 GLN 49 HB3 GLN 49 8.915 6.373 6.062 355 HB3 GLN 49 HB2 GLN 49 9.678 7.768 5.301 356 HG2 GLN 49 HG3 GLN 49 10.929 8.292 7.231 357 HG3 GLN 49 HG2 GLN 49 9.580 8.006 8.314 358 HE21 GLN 49 HE21 GLN 49 8.965 5.393 8.056 359 HE22 GLN 49 HE22 GLN 49 10.280 4.399 8.428 360 H GLU 50 H GLU 50 7.543 9.705 4.320 361 HA GLU 50 HA GLU 50 5.258 8.514 3.128 362 HB2 GLU 50 HB3 GLU 50 5.630 10.241 1.367 363 HB3 GLU 50 HB2 GLU 50 5.581 10.943 2.988 364 HG2 GLU 50 HG3 GLU 50 8.073 11.007 3.048 365 HG3 GLU 50 HG2 GLU 50 8.146 10.294 1.440 366 H LEU 51 H LEU 51 5.258 7.417 1.140 367 HA LEU 51 HA LEU 51 7.688 5.771 0.725 368 HB2 LEU 51 HB3 LEU 51 4.753 5.639 -0.063 369 HB3 LEU 51 HB2 LEU 51 5.879 4.706 -1.022 370 HG LEU 51 HG LEU 51 4.882 3.342 0.796 371 HD11 LEU 51 HD11 LEU 51 7.670 3.373 1.837 372 HD12 LEU 51 HD12 LEU 51 7.609 3.383 0.088 373 HD13 LEU 51 HD13 LEU 51 6.802 2.128 0.967 374 HD21 LEU 51 HD21 LEU 51 4.621 5.314 2.428 375 HD22 LEU 51 HD22 LEU 51 6.336 5.132 2.797 376 HD23 LEU 51 HD23 LEU 51 5.221 3.815 3.135 377 H THR 52 H THR 52 9.156 6.430 -0.626 378 HA THR 52 HA THR 52 8.785 8.377 -2.677 379 HB THR 52 HB THR 52 10.846 8.363 -1.328 380 HG1 THR 52 HG1 THR 52 12.084 7.557 -3.549 381 HG21 THR 52 HG21 THR 52 12.493 6.526 -1.498 382 HG22 THR 52 HG22 THR 52 11.400 5.618 -2.534 383 HG23 THR 52 HG23 THR 52 10.973 5.911 -0.850 384 H GLU 53 H GLU 53 10.134 7.779 -4.640 385 HA GLU 53 HA GLU 53 8.428 6.201 -6.232 386 HB2 GLU 53 HB3 GLU 53 11.227 7.258 -6.792 387 HB3 GLU 53 HB2 GLU 53 10.169 6.568 -8.025 388 HG2 GLU 53 HG3 GLU 53 8.458 8.347 -7.521 389 HG3 GLU 53 HG2 GLU 53 9.566 9.052 -6.344 390 H HIS 54 H HIS 54 11.860 5.617 -5.580 391 HA HIS 54 HA HIS 54 11.972 3.076 -6.691 392 HB2 HIS 54 HB3 HIS 54 13.999 4.348 -5.969 393 HB3 HIS 54 HB2 HIS 54 13.622 3.993 -4.285 394 HD2 HIS 54 HD2 HIS 54 14.938 1.697 -3.441 395 HE1 HIS 54 HE1 HIS 54 15.283 -0.229 -7.183 396 HE2 HIS 54 HE2 HIS 54 15.829 -0.405 -4.711 397 H GLU 55 H GLU 55 11.423 3.750 -3.133 398 HA GLU 55 HA GLU 55 11.009 1.089 -2.400 399 HB2 GLU 55 HB3 GLU 55 11.397 3.092 -0.899 400 HB3 GLU 55 HB2 GLU 55 9.739 3.588 -1.193 401 HG2 GLU 55 HG3 GLU 55 9.803 2.378 0.937 402 HG3 GLU 55 HG2 GLU 55 8.964 1.355 -0.223 403 H HIS 56 H HIS 56 8.644 3.563 -3.465 404 HA HIS 56 HA HIS 56 6.312 1.953 -3.193 405 HB2 HIS 56 HB3 HIS 56 6.180 4.414 -3.403 406 HB3 HIS 56 HB2 HIS 56 6.816 4.332 -5.028 407 HD2 HIS 56 HD2 HIS 56 3.472 3.510 -3.122 408 HE1 HIS 56 HE1 HIS 56 2.780 3.079 -7.266 409 HE2 HIS 56 HE2 HIS 56 1.686 3.054 -4.973 410 H GLN 57 H GLN 57 8.424 2.588 -6.111 411 HA GLN 57 HA GLN 57 6.880 0.918 -7.843 412 HB2 GLN 57 HB3 GLN 57 9.697 2.061 -7.915 413 HB3 GLN 57 HB2 GLN 57 9.231 0.872 -9.124 414 HG2 GLN 57 HG3 GLN 57 8.815 3.001 -10.144 415 HG3 GLN 57 HG2 GLN 57 7.239 2.410 -9.694 416 HE21 GLN 57 HE21 GLN 57 6.808 3.249 -7.127 417 HE22 GLN 57 HE22 GLN 57 7.062 4.923 -6.957 418 H GLN 58 H GLN 58 9.555 0.110 -5.594 419 HA GLN 58 HA GLN 58 10.111 -2.506 -6.593 420 HB2 GLN 58 HB3 GLN 58 10.488 -1.123 -3.914 421 HB3 GLN 58 HB2 GLN 58 10.921 -2.825 -4.073 422 HG2 GLN 58 HG3 GLN 58 12.532 -2.296 -5.862 423 HG3 GLN 58 HG2 GLN 58 12.064 -0.610 -5.849 424 HE21 GLN 58 HE21 GLN 58 14.405 -2.692 -4.647 425 HE22 GLN 58 HE22 GLN 58 14.910 -1.778 -3.309 426 H MET 59 H MET 59 8.024 -1.593 -3.742 427 HA MET 59 HA MET 59 7.069 -4.190 -3.327 428 HB2 MET 59 HB3 MET 59 5.611 -3.201 -1.738 429 HB3 MET 59 HB2 MET 59 7.039 -2.204 -1.722 430 HG2 MET 59 HG3 MET 59 5.266 -0.596 -1.710 431 HG3 MET 59 HG2 MET 59 5.721 -0.683 -3.392 432 HE1 MET 59 HE1 MET 59 3.753 0.133 -4.521 433 HE2 MET 59 HE2 MET 59 2.946 0.614 -3.039 434 HE3 MET 59 HE3 MET 59 2.072 -0.314 -4.253 435 H ARG 60 H ARG 60 5.942 -1.588 -5.452 436 HA ARG 60 HA ARG 60 3.394 -2.548 -6.063 437 HB2 ARG 60 HB3 ARG 60 4.370 -0.341 -6.784 438 HB3 ARG 60 HB2 ARG 60 5.364 -1.174 -7.960 439 HG2 ARG 60 HG3 ARG 60 3.310 -2.030 -9.082 440 HG3 ARG 60 HG2 ARG 60 2.315 -1.206 -7.877 441 HD2 ARG 60 HD3 ARG 60 2.451 0.115 -9.940 442 HD3 ARG 60 HD2 ARG 60 3.258 0.971 -8.618 443 HE ARG 60 HE ARG 60 5.162 -0.603 -10.006 444 HH11 ARG 60 HH21 ARG 60 3.177 2.230 -10.483 445 HH12 ARG 60 HH22 ARG 60 4.269 2.957 -11.615 446 HH21 ARG 60 HH11 ARG 60 6.570 0.372 -11.487 447 HH22 ARG 60 HH12 ARG 60 6.177 1.910 -12.179 448 H ASP 61 H ASP 61 6.553 -3.228 -7.748 449 HA ASP 61 HA ASP 61 5.570 -5.040 -9.618 450 HB2 ASP 61 HB3 ASP 61 7.860 -4.024 -9.627 451 HB3 ASP 61 HB2 ASP 61 8.300 -5.006 -8.235 452 H ASP 62 H ASP 62 6.489 -5.423 -6.218 453 HA ASP 62 HA ASP 62 6.411 -8.318 -6.201 454 HB2 ASP 62 HB3 ASP 62 7.641 -6.938 -4.480 455 HB3 ASP 62 HB2 ASP 62 6.098 -6.428 -3.817 456 H LEU 63 H LEU 63 4.101 -5.707 -5.511 457 HA LEU 63 HA LEU 63 2.016 -7.226 -4.422 458 HB2 LEU 63 HB3 LEU 63 2.208 -4.680 -4.534 459 HB3 LEU 63 HB2 LEU 63 1.705 -4.773 -6.208 460 HG LEU 63 HG LEU 63 -0.366 -6.228 -5.091 461 HD11 LEU 63 HD11 LEU 63 -1.056 -5.357 -2.943 462 HD12 LEU 63 HD12 LEU 63 0.316 -4.249 -2.911 463 HD13 LEU 63 HD13 LEU 63 0.589 -5.983 -2.789 464 HD21 LEU 63 HD21 LEU 63 -1.760 -4.198 -5.120 465 HD22 LEU 63 HD22 LEU 63 -0.677 -4.224 -6.505 466 HD23 LEU 63 HD23 LEU 63 -0.307 -3.190 -5.126 467 H GLU 64 H GLU 64 2.570 -6.266 -7.858 468 HA GLU 64 HA GLU 64 0.323 -7.565 -8.938 469 HB2 GLU 64 HB3 GLU 64 1.808 -5.876 -10.076 470 HB3 GLU 64 HB2 GLU 64 3.047 -7.116 -10.237 471 HG2 GLU 64 HG3 GLU 64 1.807 -6.945 -12.339 472 HG3 GLU 64 HG2 GLU 64 1.443 -8.492 -11.601 473 H LYS 65 H LYS 65 3.653 -8.769 -8.443 474 HA LYS 65 HA LYS 65 3.310 -11.372 -9.567 475 HB2 LYS 65 HB3 LYS 65 5.245 -10.187 -7.526 476 HB3 LYS 65 HB2 LYS 65 5.406 -11.855 -8.104 477 HG2 LYS 65 HG3 LYS 65 5.619 -11.024 -10.445 478 HG3 LYS 65 HG2 LYS 65 5.455 -9.364 -9.882 479 HD2 LYS 65 HD3 LYS 65 7.537 -9.624 -8.505 480 HD3 LYS 65 HD2 LYS 65 7.699 -11.285 -9.084 481 HE2 LYS 65 HE3 LYS 65 7.764 -8.790 -10.844 482 HE3 LYS 65 HE2 LYS 65 9.164 -9.770 -10.400 483 HZ1 LYS 65 HZ1 LYS 65 7.152 -10.246 -12.387 484 HZ2 LYS 65 HZ2 LYS 65 7.387 -11.583 -11.365 485 HZ3 LYS 65 HZ3 LYS 65 8.697 -10.928 -12.227 486 H GLU 66 H GLU 66 3.042 -10.217 -6.191 487 HA GLU 66 HA GLU 66 2.498 -12.762 -5.009 488 HB2 GLU 66 HB3 GLU 66 2.006 -9.884 -4.144 489 HB3 GLU 66 HB2 GLU 66 1.552 -11.227 -3.096 490 HG2 GLU 66 HG3 GLU 66 4.399 -10.762 -4.142 491 HG3 GLU 66 HG2 GLU 66 3.836 -10.242 -2.559 492 H ARG 67 H ARG 67 0.312 -10.090 -5.975 493 HA ARG 67 HA ARG 67 -2.133 -11.247 -5.294 494 HB2 ARG 67 HB3 ARG 67 -1.355 -9.351 -7.528 495 HB3 ARG 67 HB2 ARG 67 -3.040 -9.832 -7.306 496 HG2 ARG 67 HG3 ARG 67 -3.020 -8.918 -4.999 497 HG3 ARG 67 HG2 ARG 67 -1.328 -8.485 -5.158 498 HD2 ARG 67 HD3 ARG 67 -2.801 -6.502 -5.566 499 HD3 ARG 67 HD2 ARG 67 -1.887 -6.924 -7.017 500 HE ARG 67 HE ARG 67 -3.878 -7.438 -8.069 501 HH11 ARG 67 HH21 ARG 67 -4.413 -7.463 -4.621 502 HH12 ARG 67 HH22 ARG 67 -6.118 -7.724 -4.765 503 HH21 ARG 67 HH11 ARG 67 -6.096 -7.778 -8.228 504 HH22 ARG 67 HH12 ARG 67 -7.066 -7.900 -6.798 505 H GLU 68 H GLU 68 -0.251 -11.694 -8.281 506 HA GLU 68 HA GLU 68 -2.095 -13.291 -9.719 507 HB2 GLU 68 HB3 GLU 68 0.020 -12.288 -10.652 508 HB3 GLU 68 HB2 GLU 68 0.955 -13.504 -9.785 509 HG2 GLU 68 HG3 GLU 68 -0.230 -15.311 -11.064 510 HG3 GLU 68 HG2 GLU 68 -1.164 -14.089 -11.921 511 H ASP 69 H ASP 69 0.797 -14.503 -7.964 512 HA ASP 69 HA ASP 69 0.158 -17.209 -7.931 513 HB2 ASP 69 HB3 ASP 69 2.361 -16.282 -7.223 514 HB3 ASP 69 HB2 ASP 69 1.628 -15.654 -5.752 515 H LEU 70 H LEU 70 -0.781 -14.739 -5.549 516 HA LEU 70 HA LEU 70 -2.089 -16.431 -3.701 517 HB2 LEU 70 HB3 LEU 70 -2.390 -13.504 -4.331 518 HB3 LEU 70 HB2 LEU 70 -3.245 -14.234 -2.986 519 HG LEU 70 HG LEU 70 -0.177 -14.320 -3.210 520 HD11 LEU 70 HD11 LEU 70 -0.919 -11.938 -3.102 521 HD12 LEU 70 HD12 LEU 70 -0.118 -12.408 -1.610 522 HD13 LEU 70 HD13 LEU 70 -1.881 -12.299 -1.672 523 HD21 LEU 70 HD21 LEU 70 -2.065 -14.756 -0.843 524 HD22 LEU 70 HD22 LEU 70 -0.307 -14.718 -0.720 525 HD23 LEU 70 HD23 LEU 70 -1.091 -15.995 -1.624 526 H ASP 71 H ASP 71 -3.313 -14.785 -6.600 527 HA ASP 71 HA ASP 71 -6.084 -15.270 -6.174 528 HB2 ASP 71 HB3 ASP 71 -4.529 -14.950 -8.776 529 HB3 ASP 71 HB2 ASP 71 -6.284 -14.986 -8.689 530 H LEU 72 H LEU 72 -3.598 -17.191 -7.919 531 HA LEU 72 HA LEU 72 -5.246 -19.327 -8.754 532 HB2 LEU 72 HB3 LEU 72 -2.297 -19.180 -8.054 533 HB3 LEU 72 HB2 LEU 72 -3.014 -20.552 -8.902 534 HG LEU 72 HG LEU 72 -3.047 -17.676 -9.974 535 HD11 LEU 72 HD11 LEU 72 -0.722 -18.523 -9.876 536 HD12 LEU 72 HD12 LEU 72 -1.256 -18.424 -11.550 537 HD13 LEU 72 HD13 LEU 72 -1.200 -19.989 -10.733 538 HD21 LEU 72 HD21 LEU 72 -4.860 -18.970 -11.009 539 HD22 LEU 72 HD22 LEU 72 -3.797 -20.344 -11.278 540 HD23 LEU 72 HD23 LEU 72 -3.569 -18.858 -12.193 541 H ASP 73 H ASP 73 -3.306 -18.949 -5.780 542 HA ASP 73 HA ASP 73 -4.575 -21.383 -4.583 543 HB2 ASP 73 HB3 ASP 73 -2.674 -21.360 -2.998 544 HB3 ASP 73 HB2 ASP 73 -2.093 -21.418 -4.661 545 H HIS 74 H HIS 74 -6.019 -18.884 -4.869 546 HA HIS 74 HA HIS 74 -6.000 -17.253 -2.569 547 HB2 HIS 74 HB3 HIS 74 -7.329 -16.755 -4.647 548 HB3 HIS 74 HB2 HIS 74 -8.441 -18.051 -4.242 549 HD2 HIS 74 HD2 HIS 74 -10.526 -17.208 -2.588 550 HE1 HIS 74 HE1 HIS 74 -8.740 -13.663 -1.147 551 HE2 HIS 74 HE2 HIS 74 -10.834 -15.098 -1.077 552 H SER 75 H SER 75 -7.674 -20.298 -3.227 553 HA SER 75 HA SER 75 -8.828 -21.771 -1.907 554 HB2 SER 75 HB3 SER 75 -7.699 -22.399 0.171 555 HB3 SER 75 HB2 SER 75 -6.480 -22.018 -1.045 556 HG SER 75 HG SER 75 -6.068 -20.127 -0.041 557 H SER 76 H SER 76 -10.865 -20.788 -1.786 558 HA SER 76 HA SER 76 -11.585 -18.594 -0.172 559 HB2 SER 76 HB3 SER 76 -13.307 -20.899 -1.156 560 HB3 SER 76 HB2 SER 76 -13.938 -19.398 -0.477 561 HG SER 76 HG SER 76 -13.626 -19.655 -2.888 562 H LEU 77 H LEU 77 -10.839 -21.840 0.678 563 HA LEU 77 HA LEU 77 -12.097 -21.599 3.361 564 HB2 LEU 77 HB3 LEU 77 -12.601 -23.634 1.851 565 HB3 LEU 77 HB2 LEU 77 -10.950 -24.148 2.147 566 HG LEU 77 HG LEU 77 -11.640 -23.791 4.764 567 HD11 LEU 77 HD11 LEU 77 -13.993 -24.294 5.248 568 HD12 LEU 77 HD12 LEU 77 -14.363 -24.400 3.526 569 HD13 LEU 77 HD13 LEU 77 -13.913 -22.859 4.235 570 HD21 LEU 77 HD21 LEU 77 -12.577 -26.225 3.186 571 HD22 LEU 77 HD22 LEU 77 -12.338 -26.174 4.937 572 HD23 LEU 77 HD23 LEU 77 -10.964 -25.983 3.852 573 HA PRO 78 HA PRO 78 -7.663 -20.583 4.505 574 HB2 PRO 78 HB3 PRO 78 -9.099 -20.691 7.204 575 HB3 PRO 78 HB2 PRO 78 -7.815 -19.568 6.681 576 HG2 PRO 78 HG3 PRO 78 -10.311 -18.706 6.645 577 HG3 PRO 78 HG2 PRO 78 -9.291 -18.396 5.217 578 HD2 PRO 78 HD2 PRO 78 -11.446 -20.528 5.546 579 HD3 PRO 78 HD3 PRO 78 -11.093 -19.501 4.131 Start of MODEL 19 1 H1 ASN 1 1H ASN 1 -14.606 -9.900 -7.588 2 H2 ASN 1 2H ASN 1 -15.703 -8.817 -6.874 3 H3 ASN 1 3H ASN 1 -15.227 -10.220 -6.044 4 HA ASN 1 HA ASN 1 -14.120 -7.735 -5.804 5 HB2 ASN 1 HB3 ASN 1 -14.089 -9.606 -4.134 6 HB3 ASN 1 HB2 ASN 1 -12.897 -10.453 -5.111 7 HD21 ASN 1 HD21 ASN 1 -13.395 -7.445 -3.225 8 HD22 ASN 1 HD22 ASN 1 -11.748 -7.180 -2.910 9 H THR 2 H THR 2 -13.140 -10.365 -7.940 10 HA THR 2 HA THR 2 -10.500 -9.532 -8.539 11 HB THR 2 HB THR 2 -12.420 -10.995 -10.422 12 HG1 THR 2 HG1 THR 2 -11.058 -11.759 -8.114 13 HG21 THR 2 HG21 THR 2 -10.248 -10.312 -11.469 14 HG22 THR 2 HG22 THR 2 -10.342 -12.062 -11.274 15 HG23 THR 2 HG23 THR 2 -9.378 -11.102 -10.154 16 H VAL 3 H VAL 3 -13.594 -8.832 -10.158 17 HA VAL 3 HA VAL 3 -12.636 -7.209 -12.259 18 HB VAL 3 HB VAL 3 -15.002 -6.376 -12.399 19 HG11 VAL 3 HG11 VAL 3 -14.414 -8.587 -13.393 20 HG12 VAL 3 HG12 VAL 3 -16.068 -8.597 -12.786 21 HG13 VAL 3 HG13 VAL 3 -14.785 -9.385 -11.863 22 HG21 VAL 3 HG21 VAL 3 -15.508 -6.197 -9.960 23 HG22 VAL 3 HG22 VAL 3 -15.388 -7.947 -9.791 24 HG23 VAL 3 HG23 VAL 3 -16.690 -7.238 -10.746 25 H ASP 4 H ASP 4 -13.330 -6.492 -8.897 26 HA ASP 4 HA ASP 4 -13.210 -3.604 -9.134 27 HB2 ASP 4 HB3 ASP 4 -12.912 -5.378 -6.657 28 HB3 ASP 4 HB2 ASP 4 -13.249 -3.650 -6.670 29 H ASP 5 H ASP 5 -11.301 -2.843 -9.952 30 HA ASP 5 HA ASP 5 -8.692 -3.948 -9.414 31 HB2 ASP 5 HB3 ASP 5 -7.912 -1.912 -10.661 32 HB3 ASP 5 HB2 ASP 5 -9.192 -2.764 -11.524 33 H ILE 6 H ILE 6 -9.331 -3.863 -6.960 34 HA ILE 6 HA ILE 6 -9.151 -1.359 -5.550 35 HB ILE 6 HB ILE 6 -8.897 -2.832 -3.518 36 HG12 ILE 6 HG13 ILE 6 -9.009 -5.181 -5.502 37 HG13 ILE 6 HG12 ILE 6 -7.533 -4.663 -4.710 38 HG21 ILE 6 HG21 ILE 6 -11.084 -3.741 -5.451 39 HG22 ILE 6 HG22 ILE 6 -11.171 -2.308 -4.429 40 HG23 ILE 6 HG23 ILE 6 -11.137 -3.911 -3.699 41 HD11 ILE 6 HD11 ILE 6 -10.007 -5.712 -3.304 42 HD12 ILE 6 HD12 ILE 6 -8.555 -5.120 -2.494 43 HD13 ILE 6 HD13 ILE 6 -8.472 -6.555 -3.514 44 H SER 7 H SER 7 -6.863 -3.579 -6.890 45 HA SER 7 HA SER 7 -4.562 -3.011 -5.327 46 HB2 SER 7 HB3 SER 7 -4.797 -3.896 -8.229 47 HB3 SER 7 HB2 SER 7 -3.302 -3.926 -7.294 48 HG SER 7 HG SER 7 -5.166 -5.761 -7.400 49 H GLU 8 H GLU 8 -6.344 -0.982 -7.330 50 HA GLU 8 HA GLU 8 -4.275 0.590 -8.553 51 HB2 GLU 8 HB3 GLU 8 -6.678 0.507 -9.338 52 HB3 GLU 8 HB2 GLU 8 -7.159 1.392 -7.895 53 HG2 GLU 8 HG3 GLU 8 -5.703 3.307 -8.586 54 HG3 GLU 8 HG2 GLU 8 -5.202 2.414 -10.014 55 H SER 9 H SER 9 -6.106 0.782 -5.499 56 HA SER 9 HA SER 9 -5.225 3.333 -4.637 57 HB2 SER 9 HB3 SER 9 -7.108 2.151 -3.563 58 HB3 SER 9 HB2 SER 9 -6.008 0.912 -2.966 59 HG SER 9 HG SER 9 -4.941 2.530 -1.779 60 H LEU 10 H LEU 10 -3.880 0.084 -4.001 61 HA LEU 10 HA LEU 10 -1.742 0.830 -2.320 62 HB2 LEU 10 HB3 LEU 10 -1.805 -1.514 -4.297 63 HB3 LEU 10 HB2 LEU 10 -0.916 -1.428 -2.773 64 HG LEU 10 HG LEU 10 -3.967 -1.539 -3.081 65 HD11 LEU 10 HD11 LEU 10 -3.784 -3.760 -2.036 66 HD12 LEU 10 HD12 LEU 10 -2.030 -3.598 -1.970 67 HD13 LEU 10 HD13 LEU 10 -2.857 -3.689 -3.532 68 HD21 LEU 10 HD21 LEU 10 -3.956 -1.768 -0.566 69 HD22 LEU 10 HD22 LEU 10 -3.457 -0.199 -1.119 70 HD23 LEU 10 HD23 LEU 10 -2.243 -1.348 -0.586 71 H ARG 11 H ARG 11 -1.914 0.427 -5.863 72 HA ARG 11 HA ARG 11 0.884 0.984 -6.286 73 HB2 ARG 11 HB3 ARG 11 -0.559 -0.311 -7.881 74 HB3 ARG 11 HB2 ARG 11 -1.480 1.150 -8.228 75 HG2 ARG 11 HG3 ARG 11 0.590 2.252 -9.096 76 HG3 ARG 11 HG2 ARG 11 1.520 0.813 -8.722 77 HD2 ARG 11 HD3 ARG 11 0.189 -0.484 -10.352 78 HD3 ARG 11 HD2 ARG 11 -0.795 0.939 -10.706 79 HE ARG 11 HE ARG 11 1.867 0.386 -11.688 80 HH11 ARG 11 HH21 ARG 11 -0.302 2.981 -10.799 81 HH12 ARG 11 HH22 ARG 11 0.487 4.148 -11.808 82 HH21 ARG 11 HH11 ARG 11 2.885 1.938 -12.971 83 HH22 ARG 11 HH12 ARG 11 2.278 3.559 -13.033 84 H GLN 12 H GLN 12 -2.089 2.863 -6.907 85 HA GLN 12 HA GLN 12 -2.500 5.087 -7.220 86 HB2 GLN 12 HB3 GLN 12 -1.973 4.984 -4.763 87 HB3 GLN 12 HB2 GLN 12 -0.317 5.391 -5.139 88 HG2 GLN 12 HG3 GLN 12 -1.458 7.448 -4.442 89 HG3 GLN 12 HG2 GLN 12 -1.159 7.586 -6.170 90 HE21 GLN 12 HE21 GLN 12 -3.682 6.406 -3.904 91 HE22 GLN 12 HE22 GLN 12 -4.998 6.927 -4.840 92 H GLY 13 H GLY 13 0.967 5.385 -6.517 93 HA2 GLY 13 HA3 GLY 13 2.794 5.850 -7.857 94 HA3 GLY 13 HA2 GLY 13 1.754 5.997 -9.272 95 H GLY 14 H GLY 14 0.753 7.639 -6.427 96 HA2 GLY 14 HA3 GLY 14 0.920 10.266 -7.623 97 HA3 GLY 14 HA2 GLY 14 0.366 9.874 -5.998 98 H GLY 15 H GLY 15 2.940 8.355 -5.517 99 HA2 GLY 15 HA3 GLY 15 5.206 8.757 -5.054 100 HA3 GLY 15 HA2 GLY 15 5.006 10.472 -5.401 101 H LYS 16 H LYS 16 3.521 11.635 -3.847 102 HA LYS 16 HA LYS 16 4.481 11.288 -1.140 103 HB2 LYS 16 HB3 LYS 16 2.224 13.055 -2.168 104 HB3 LYS 16 HB2 LYS 16 3.050 13.211 -0.605 105 HG2 LYS 16 HG3 LYS 16 5.260 13.485 -2.035 106 HG3 LYS 16 HG2 LYS 16 4.178 13.742 -3.406 107 HD2 LYS 16 HD3 LYS 16 4.326 15.416 -0.843 108 HD3 LYS 16 HD2 LYS 16 4.811 15.921 -2.464 109 HE2 LYS 16 HE3 LYS 16 1.974 15.352 -1.469 110 HE3 LYS 16 HE2 LYS 16 2.619 16.892 -2.039 111 HZ1 LYS 16 HZ1 LYS 16 2.997 15.780 -4.229 112 HZ2 LYS 16 HZ2 LYS 16 1.364 15.953 -3.796 113 HZ3 LYS 16 HZ3 LYS 16 2.130 14.446 -3.643 114 H LEU 17 H LEU 17 3.710 9.813 0.158 115 HA LEU 17 HA LEU 17 0.845 9.316 0.522 116 HB2 LEU 17 HB3 LEU 17 2.789 7.395 -0.781 117 HB3 LEU 17 HB2 LEU 17 1.686 6.664 0.373 118 HG LEU 17 HG LEU 17 0.810 8.329 -2.018 119 HD11 LEU 17 HD11 LEU 17 0.076 6.115 -2.958 120 HD12 LEU 17 HD12 LEU 17 1.059 5.329 -1.739 121 HD13 LEU 17 HD13 LEU 17 1.804 6.401 -2.917 122 HD21 LEU 17 HD21 LEU 17 -0.735 7.118 0.277 123 HD22 LEU 17 HD22 LEU 17 -1.452 6.916 -1.328 124 HD23 LEU 17 HD23 LEU 17 -1.097 8.519 -0.726 125 H ASN 18 H ASN 18 0.401 8.881 2.528 126 HA ASN 18 HA ASN 18 2.495 8.036 4.471 127 HB2 ASN 18 HB3 ASN 18 0.523 9.893 5.696 128 HB3 ASN 18 HB2 ASN 18 2.275 10.030 5.686 129 HD21 ASN 18 HD21 ASN 18 -0.387 11.763 4.862 130 HD22 ASN 18 HD22 ASN 18 0.208 12.621 3.536 131 H PHE 19 H PHE 19 1.708 6.629 5.934 132 HA PHE 19 HA PHE 19 -0.126 4.793 5.649 133 HB2 PHE 19 HB3 PHE 19 -0.217 4.524 8.111 134 HB3 PHE 19 HB2 PHE 19 1.407 4.970 7.582 135 HD1 PHE 19 HD1 PHE 19 2.284 7.296 7.870 136 HD2 PHE 19 HD2 PHE 19 -1.581 6.168 9.440 137 HE1 PHE 19 HE1 PHE 19 2.238 9.354 9.244 138 HE2 PHE 19 HE2 PHE 19 -1.614 8.244 10.813 139 HZ PHE 19 HZ PHE 19 0.295 9.836 10.714 140 H ASP 20 H ASP 20 -0.956 8.080 6.647 141 HA ASP 20 HA ASP 20 -3.663 7.524 7.443 142 HB2 ASP 20 HB3 ASP 20 -2.278 9.485 8.187 143 HB3 ASP 20 HB2 ASP 20 -2.334 10.138 6.556 144 H GLU 21 H GLU 21 -2.114 8.852 4.600 145 HA GLU 21 HA GLU 21 -4.377 9.298 2.977 146 HB2 GLU 21 HB3 GLU 21 -1.559 8.506 2.110 147 HB3 GLU 21 HB2 GLU 21 -2.778 9.138 1.011 148 HG2 GLU 21 HG3 GLU 21 -1.705 10.622 3.445 149 HG3 GLU 21 HG2 GLU 21 -1.138 10.889 1.799 150 H LEU 22 H LEU 22 -2.464 6.389 3.444 151 HA LEU 22 HA LEU 22 -3.939 4.725 1.547 152 HB2 LEU 22 HB3 LEU 22 -2.129 3.939 3.894 153 HB3 LEU 22 HB2 LEU 22 -2.568 2.899 2.532 154 HG LEU 22 HG LEU 22 -0.986 5.486 2.340 155 HD11 LEU 22 HD11 LEU 22 0.949 3.996 1.755 156 HD12 LEU 22 HD12 LEU 22 -0.044 2.596 2.172 157 HD13 LEU 22 HD13 LEU 22 0.359 3.796 3.392 158 HD21 LEU 22 HD21 LEU 22 -2.191 5.154 0.240 159 HD22 LEU 22 HD22 LEU 22 -1.814 3.442 0.207 160 HD23 LEU 22 HD23 LEU 22 -0.551 4.634 -0.060 161 H ARG 23 H ARG 23 -3.805 4.998 5.046 162 HA ARG 23 HA ARG 23 -5.771 2.996 5.514 163 HB2 ARG 23 HB3 ARG 23 -4.255 3.931 7.264 164 HB3 ARG 23 HB2 ARG 23 -5.204 5.418 7.259 165 HG2 ARG 23 HG3 ARG 23 -7.287 3.834 7.808 166 HG3 ARG 23 HG2 ARG 23 -6.070 2.621 8.140 167 HD2 ARG 23 HD3 ARG 23 -6.190 5.301 9.476 168 HD3 ARG 23 HD2 ARG 23 -6.809 3.799 10.171 169 HE ARG 23 HE ARG 23 -4.137 3.340 9.425 170 HH11 ARG 23 HH21 ARG 23 -5.939 5.276 11.670 171 HH12 ARG 23 HH22 ARG 23 -4.665 5.350 12.841 172 HH21 ARG 23 HH11 ARG 23 -2.464 3.439 10.955 173 HH22 ARG 23 HH12 ARG 23 -2.698 4.309 12.435 174 H GLN 24 H GLN 24 -6.146 6.510 5.532 175 HA GLN 24 HA GLN 24 -8.902 6.638 5.955 176 HB2 GLN 24 HB3 GLN 24 -7.090 8.564 4.438 177 HB3 GLN 24 HB2 GLN 24 -8.700 8.978 5.031 178 HG2 GLN 24 HG3 GLN 24 -6.584 7.874 6.926 179 HG3 GLN 24 HG2 GLN 24 -6.654 9.591 6.540 180 HE21 GLN 24 HE21 GLN 24 -8.885 10.657 7.011 181 HE22 GLN 24 HE22 GLN 24 -9.735 10.083 8.365 182 H ASP 25 H ASP 25 -7.104 6.325 2.863 183 HA ASP 25 HA ASP 25 -9.423 6.700 1.225 184 HB2 ASP 25 HB3 ASP 25 -7.092 7.200 0.483 185 HB3 ASP 25 HB2 ASP 25 -6.654 5.506 0.693 186 H LEU 26 H LEU 26 -7.341 4.024 2.382 187 HA LEU 26 HA LEU 26 -8.792 1.929 1.058 188 HB2 LEU 26 HB3 LEU 26 -6.961 1.731 3.448 189 HB3 LEU 26 HB2 LEU 26 -7.611 0.328 2.626 190 HG LEU 26 HG LEU 26 -6.009 2.401 1.040 191 HD11 LEU 26 HD11 LEU 26 -4.014 1.046 1.348 192 HD12 LEU 26 HD12 LEU 26 -4.901 -0.087 2.385 193 HD13 LEU 26 HD13 LEU 26 -4.584 1.547 2.933 194 HD21 LEU 26 HD21 LEU 26 -5.657 0.514 -0.513 195 HD22 LEU 26 HD22 LEU 26 -7.361 0.755 -0.291 196 HD23 LEU 26 HD23 LEU 26 -6.555 -0.566 0.536 197 H LYS 27 H LYS 27 -9.305 3.439 4.160 198 HA LYS 27 HA LYS 27 -10.985 1.438 5.308 199 HB2 LYS 27 HB3 LYS 27 -10.131 3.480 6.427 200 HB3 LYS 27 HB2 LYS 27 -11.188 4.458 5.410 201 HG2 LYS 27 HG3 LYS 27 -13.191 3.429 6.424 202 HG3 LYS 27 HG2 LYS 27 -12.186 2.293 7.331 203 HD2 LYS 27 HD3 LYS 27 -12.939 4.153 8.781 204 HD3 LYS 27 HD2 LYS 27 -11.186 4.164 8.614 205 HE2 LYS 27 HE3 LYS 27 -11.234 6.109 7.161 206 HE3 LYS 27 HE2 LYS 27 -12.973 5.918 6.852 207 HZ1 LYS 27 HZ1 LYS 27 -12.260 6.140 9.641 208 HZ2 LYS 27 HZ2 LYS 27 -13.507 6.898 8.775 209 HZ3 LYS 27 HZ3 LYS 27 -11.931 7.530 8.727 210 H GLY 28 H GLY 28 -11.755 4.105 3.037 211 HA2 GLY 28 HA3 GLY 28 -14.553 3.745 2.832 212 HA3 GLY 28 HA2 GLY 28 -13.530 4.497 1.617 213 H LYS 29 H LYS 29 -11.901 2.070 1.224 214 HA LYS 29 HA LYS 29 -13.427 0.830 -0.867 215 HB2 LYS 29 HB3 LYS 29 -10.753 -0.054 0.314 216 HB3 LYS 29 HB2 LYS 29 -11.391 -0.455 -1.274 217 HG2 LYS 29 HG3 LYS 29 -10.691 2.375 -0.414 218 HG3 LYS 29 HG2 LYS 29 -9.619 1.338 -1.344 219 HD2 LYS 29 HD3 LYS 29 -11.352 1.212 -3.150 220 HD3 LYS 29 HD2 LYS 29 -12.382 2.294 -2.231 221 HE2 LYS 29 HE3 LYS 29 -10.688 4.083 -2.368 222 HE3 LYS 29 HE2 LYS 29 -9.632 3.005 -3.295 223 HZ1 LYS 29 HZ1 LYS 29 -11.662 4.599 -4.279 224 HZ2 LYS 29 HZ2 LYS 29 -12.250 3.007 -4.368 225 HZ3 LYS 29 HZ3 LYS 29 -10.786 3.418 -5.125 226 H GLY 30 H GLY 30 -13.805 0.416 2.250 227 HA2 GLY 30 HA3 GLY 30 -14.961 -1.114 3.531 228 HA3 GLY 30 HA2 GLY 30 -15.302 -1.993 2.043 229 H HIS 31 H HIS 31 -11.926 -1.367 2.804 230 HA HIS 31 HA HIS 31 -11.333 -4.169 2.922 231 HB2 HIS 31 HB3 HIS 31 -9.669 -1.649 3.345 232 HB3 HIS 31 HB2 HIS 31 -8.995 -3.279 3.408 233 HD2 HIS 31 HD2 HIS 31 -7.524 -2.798 1.024 234 HE1 HIS 31 HE1 HIS 31 -10.950 -2.841 -1.431 235 HE2 HIS 31 HE2 HIS 31 -8.400 -2.907 -1.434 236 H THR 32 H THR 32 -10.113 -5.118 4.709 237 HA THR 32 HA THR 32 -11.595 -4.687 7.230 238 HB THR 32 HB THR 32 -10.624 -6.852 7.877 239 HG1 THR 32 HG1 THR 32 -8.984 -7.681 6.809 240 HG21 THR 32 HG21 THR 32 -11.583 -8.265 6.094 241 HG22 THR 32 HG22 THR 32 -11.514 -6.925 4.954 242 HG23 THR 32 HG23 THR 32 -12.621 -6.857 6.328 243 H ASP 33 H ASP 33 -10.464 -4.596 9.272 244 HA ASP 33 HA ASP 33 -8.486 -2.575 9.369 245 HB2 ASP 33 HB3 ASP 33 -9.288 -4.636 11.468 246 HB3 ASP 33 HB2 ASP 33 -8.357 -3.172 11.798 247 H ALA 34 H ALA 34 -8.229 -6.119 9.709 248 HA ALA 34 HA ALA 34 -5.471 -6.273 10.286 249 HB1 ALA 34 HB1 ALA 34 -7.018 -8.205 10.490 250 HB2 ALA 34 HB2 ALA 34 -5.627 -8.621 9.486 251 HB3 ALA 34 HB3 ALA 34 -7.187 -8.263 8.736 252 H GLU 35 H GLU 35 -7.136 -6.407 7.014 253 HA GLU 35 HA GLU 35 -4.746 -6.602 5.555 254 HB2 GLU 35 HB3 GLU 35 -7.546 -5.653 4.881 255 HB3 GLU 35 HB2 GLU 35 -6.310 -5.861 3.642 256 HG2 GLU 35 HG3 GLU 35 -7.268 -8.101 5.503 257 HG3 GLU 35 HG2 GLU 35 -7.856 -7.858 3.861 258 H ILE 36 H ILE 36 -6.739 -3.849 6.430 259 HA ILE 36 HA ILE 36 -5.415 -1.871 4.906 260 HB ILE 36 HB ILE 36 -6.929 -1.656 7.545 261 HG12 ILE 36 HG13 ILE 36 -7.841 -0.805 4.756 262 HG13 ILE 36 HG12 ILE 36 -8.130 -2.393 5.369 263 HG21 ILE 36 HG21 ILE 36 -5.573 0.367 7.490 264 HG22 ILE 36 HG22 ILE 36 -7.159 0.857 6.903 265 HG23 ILE 36 HG23 ILE 36 -5.845 0.582 5.762 266 HD11 ILE 36 HD11 ILE 36 -10.086 -0.927 5.704 267 HD12 ILE 36 HD12 ILE 36 -9.099 0.151 6.689 268 HD13 ILE 36 HD13 ILE 36 -9.430 -1.504 7.237 269 H GLU 37 H GLU 37 -4.941 -2.717 8.375 270 HA GLU 37 HA GLU 37 -2.936 -0.929 8.897 271 HB2 GLU 37 HB3 GLU 37 -2.510 -2.102 10.951 272 HB3 GLU 37 HB2 GLU 37 -4.242 -2.086 10.624 273 HG2 GLU 37 HG3 GLU 37 -3.950 -4.422 9.670 274 HG3 GLU 37 HG2 GLU 37 -2.322 -4.444 10.283 275 H ALA 38 H ALA 38 -2.776 -4.272 7.853 276 HA ALA 38 HA ALA 38 0.018 -4.667 8.044 277 HB1 ALA 38 HB1 ALA 38 -2.049 -5.978 6.222 278 HB2 ALA 38 HB2 ALA 38 -1.650 -6.496 7.857 279 HB3 ALA 38 HB3 ALA 38 -0.441 -6.628 6.577 280 H ILE 39 H ILE 39 -2.058 -3.676 5.333 281 HA ILE 39 HA ILE 39 -0.130 -3.755 3.284 282 HB ILE 39 HB ILE 39 -2.850 -2.585 3.624 283 HG12 ILE 39 HG13 ILE 39 -3.095 -3.220 1.135 284 HG13 ILE 39 HG12 ILE 39 -1.422 -3.749 1.176 285 HG21 ILE 39 HG21 ILE 39 -2.828 -0.982 1.689 286 HG22 ILE 39 HG22 ILE 39 -1.090 -0.926 1.741 287 HG23 ILE 39 HG23 ILE 39 -2.035 -0.348 3.111 288 HD11 ILE 39 HD11 ILE 39 -2.750 -5.701 1.554 289 HD12 ILE 39 HD12 ILE 39 -3.780 -4.867 2.703 290 HD13 ILE 39 HD13 ILE 39 -2.122 -5.279 3.152 291 H PHE 40 H PHE 40 -1.040 -0.962 5.288 292 HA PHE 40 HA PHE 40 0.795 0.806 3.981 293 HB2 PHE 40 HB3 PHE 40 -0.052 2.458 5.359 294 HB3 PHE 40 HB2 PHE 40 -1.352 1.313 5.532 295 HD1 PHE 40 HD2 PHE 40 1.741 2.662 7.122 296 HD2 PHE 40 HD1 PHE 40 -1.701 0.228 7.696 297 HE1 PHE 40 HE2 PHE 40 2.275 2.489 9.522 298 HE2 PHE 40 HE1 PHE 40 -1.163 -0.001 10.122 299 HZ PHE 40 HZ PHE 40 0.850 1.135 11.033 300 H THR 41 H THR 41 0.918 -1.244 6.799 301 HA THR 41 HA THR 41 3.271 -0.322 7.980 302 HB THR 41 HB THR 41 1.929 -3.043 7.987 303 HG1 THR 41 HG1 THR 41 1.979 -1.054 9.982 304 HG21 THR 41 HG21 THR 41 4.181 -3.430 8.782 305 HG22 THR 41 HG22 THR 41 3.143 -3.291 10.193 306 HG23 THR 41 HG23 THR 41 4.161 -1.939 9.726 307 H LYS 42 H LYS 42 2.790 -2.849 5.553 308 HA LYS 42 HA LYS 42 5.540 -3.663 5.450 309 HB2 LYS 42 HB3 LYS 42 3.172 -3.871 3.542 310 HB3 LYS 42 HB2 LYS 42 4.730 -4.643 3.197 311 HG2 LYS 42 HG3 LYS 42 4.560 -5.947 5.311 312 HG3 LYS 42 HG2 LYS 42 3.027 -5.179 5.680 313 HD2 LYS 42 HD3 LYS 42 2.037 -6.148 3.583 314 HD3 LYS 42 HD2 LYS 42 3.579 -6.947 3.253 315 HE2 LYS 42 HE3 LYS 42 1.822 -7.432 5.706 316 HE3 LYS 42 HE2 LYS 42 2.019 -8.537 4.342 317 HZ1 LYS 42 HZ1 LYS 42 3.477 -9.192 6.109 318 HZ2 LYS 42 HZ2 LYS 42 4.139 -7.630 6.213 319 HZ3 LYS 42 HZ3 LYS 42 4.417 -8.583 4.835 320 H TYR 43 H TYR 43 3.594 -1.523 3.286 321 HA TYR 43 HA TYR 43 5.885 -0.793 1.714 322 HB2 TYR 43 HB3 TYR 43 3.271 0.749 1.970 323 HB3 TYR 43 HB2 TYR 43 4.391 0.788 0.618 324 HD1 TYR 43 HD2 TYR 43 5.000 -2.192 0.210 325 HD2 TYR 43 HD1 TYR 43 1.228 -0.219 1.009 326 HE1 TYR 43 HE2 TYR 43 3.795 -4.072 -0.809 327 HE2 TYR 43 HE1 TYR 43 0.062 -2.140 -0.046 328 HH TYR 43 HH TYR 43 0.285 -3.984 -1.251 329 H ASP 44 H ASP 44 4.424 0.664 4.571 330 HA ASP 44 HA ASP 44 6.486 2.843 4.532 331 HB2 ASP 44 HB3 ASP 44 4.094 2.688 6.417 332 HB3 ASP 44 HB2 ASP 44 4.990 4.095 5.853 333 H GLN 45 H GLN 45 8.290 2.052 5.554 334 HA GLN 45 HA GLN 45 8.371 -0.157 7.291 335 HB2 GLN 45 HB3 GLN 45 10.251 2.178 6.746 336 HB3 GLN 45 HB2 GLN 45 10.712 0.917 7.887 337 HG2 GLN 45 HG3 GLN 45 11.635 0.480 5.604 338 HG3 GLN 45 HG2 GLN 45 10.533 -0.797 6.110 339 HE21 GLN 45 HE21 GLN 45 8.279 -0.700 5.185 340 HE22 GLN 45 HE22 GLN 45 8.051 0.014 3.662 341 H ASP 46 H ASP 46 8.562 3.418 8.272 342 HA ASP 46 HA ASP 46 7.951 2.603 11.058 343 HB2 ASP 46 HB3 ASP 46 9.142 5.150 9.889 344 HB3 ASP 46 HB2 ASP 46 8.963 4.785 11.600 345 H GLY 47 H GLY 47 6.374 3.655 8.255 346 HA2 GLY 47 HA3 GLY 47 4.361 4.774 7.893 347 HA3 GLY 47 HA2 GLY 47 3.943 4.247 9.492 348 H ASP 48 H ASP 48 6.709 6.306 9.036 349 HA ASP 48 HA ASP 48 5.281 8.647 10.274 350 HB2 ASP 48 HB3 ASP 48 8.187 7.760 10.564 351 HB3 ASP 48 HB2 ASP 48 7.444 9.145 11.371 352 H GLN 49 H GLN 49 6.998 7.561 7.536 353 HA GLN 49 HA GLN 49 7.499 10.343 6.553 354 HB2 GLN 49 HB3 GLN 49 9.453 9.416 5.289 355 HB3 GLN 49 HB2 GLN 49 9.670 9.283 7.029 356 HG2 GLN 49 HG3 GLN 49 8.699 6.960 5.274 357 HG3 GLN 49 HG2 GLN 49 10.374 7.204 5.745 358 HE21 GLN 49 HE21 GLN 49 7.770 5.349 6.622 359 HE22 GLN 49 HE22 GLN 49 8.100 5.176 8.278 360 H GLU 50 H GLU 50 7.535 10.516 4.242 361 HA GLU 50 HA GLU 50 5.287 9.332 2.996 362 HB2 GLU 50 HB3 GLU 50 7.394 11.244 1.922 363 HB3 GLU 50 HB2 GLU 50 5.897 10.804 1.083 364 HG2 GLU 50 HG3 GLU 50 4.573 11.750 2.989 365 HG3 GLU 50 HG2 GLU 50 6.071 12.221 3.789 366 H LEU 51 H LEU 51 5.335 8.029 1.154 367 HA LEU 51 HA LEU 51 7.648 6.219 1.029 368 HB2 LEU 51 HB3 LEU 51 5.227 5.413 1.124 369 HB3 LEU 51 HB2 LEU 51 4.982 6.097 -0.475 370 HG LEU 51 HG LEU 51 6.887 4.571 -1.320 371 HD11 LEU 51 HD11 LEU 51 6.762 3.546 1.535 372 HD12 LEU 51 HD12 LEU 51 8.165 3.950 0.572 373 HD13 LEU 51 HD13 LEU 51 7.274 2.488 0.229 374 HD21 LEU 51 HD21 LEU 51 5.487 2.532 -1.388 375 HD22 LEU 51 HD22 LEU 51 4.525 3.968 -1.696 376 HD23 LEU 51 HD23 LEU 51 4.456 3.182 -0.117 377 H THR 52 H THR 52 9.189 6.606 -0.372 378 HA THR 52 HA THR 52 8.989 8.416 -2.604 379 HB THR 52 HB THR 52 11.020 8.376 -1.220 380 HG1 THR 52 HG1 THR 52 12.125 8.748 -2.916 381 HG21 THR 52 HG21 THR 52 12.539 6.410 -1.231 382 HG22 THR 52 HG22 THR 52 11.341 5.479 -2.124 383 HG23 THR 52 HG23 THR 52 10.993 6.015 -0.480 384 H GLU 53 H GLU 53 10.276 7.637 -4.450 385 HA GLU 53 HA GLU 53 8.458 5.972 -5.861 386 HB2 GLU 53 HB3 GLU 53 11.068 7.178 -6.862 387 HB3 GLU 53 HB2 GLU 53 9.768 6.522 -7.848 388 HG2 GLU 53 HG3 GLU 53 8.202 8.254 -6.949 389 HG3 GLU 53 HG2 GLU 53 9.545 8.956 -6.044 390 H HIS 54 H HIS 54 11.953 5.756 -5.247 391 HA HIS 54 HA HIS 54 12.447 3.299 -6.464 392 HB2 HIS 54 HB3 HIS 54 13.754 4.287 -3.879 393 HB3 HIS 54 HB2 HIS 54 14.421 3.053 -4.956 394 HD2 HIS 54 HD2 HIS 54 14.378 6.886 -4.628 395 HE1 HIS 54 HE1 HIS 54 15.836 6.027 -8.495 396 HE2 HIS 54 HE2 HIS 54 15.530 7.856 -6.760 397 H GLU 55 H GLU 55 11.610 3.744 -2.952 398 HA GLU 55 HA GLU 55 11.339 1.034 -2.375 399 HB2 GLU 55 HB3 GLU 55 11.400 3.006 -0.751 400 HB3 GLU 55 HB2 GLU 55 9.734 3.343 -1.187 401 HG2 GLU 55 HG3 GLU 55 9.737 2.022 0.887 402 HG3 GLU 55 HG2 GLU 55 9.110 1.000 -0.399 403 H HIS 56 H HIS 56 8.929 3.411 -3.550 404 HA HIS 56 HA HIS 56 6.650 1.780 -3.473 405 HB2 HIS 56 HB3 HIS 56 6.490 4.220 -3.841 406 HB3 HIS 56 HB2 HIS 56 7.201 4.023 -5.436 407 HD2 HIS 56 HD2 HIS 56 4.070 2.368 -3.640 408 HE1 HIS 56 HE1 HIS 56 3.087 3.221 -7.650 409 HE2 HIS 56 HE2 HIS 56 2.219 2.256 -5.466 410 H GLN 57 H GLN 57 8.952 2.378 -6.223 411 HA GLN 57 HA GLN 57 7.658 0.646 -8.061 412 HB2 GLN 57 HB3 GLN 57 10.558 1.535 -7.778 413 HB3 GLN 57 HB2 GLN 57 10.099 0.414 -9.052 414 HG2 GLN 57 HG3 GLN 57 9.979 2.537 -10.139 415 HG3 GLN 57 HG2 GLN 57 8.301 2.222 -9.741 416 HE21 GLN 57 HE21 GLN 57 7.380 3.425 -7.838 417 HE22 GLN 57 HE22 GLN 57 8.131 4.861 -7.309 418 H GLN 58 H GLN 58 9.923 -0.169 -5.427 419 HA GLN 58 HA GLN 58 10.503 -2.816 -6.296 420 HB2 GLN 58 HB3 GLN 58 11.735 -1.503 -4.532 421 HB3 GLN 58 HB2 GLN 58 10.391 -1.772 -3.427 422 HG2 GLN 58 HG3 GLN 58 10.731 -4.245 -3.605 423 HG3 GLN 58 HG2 GLN 58 12.062 -3.979 -4.731 424 HE21 GLN 58 HE21 GLN 58 13.860 -4.601 -3.519 425 HE22 GLN 58 HE22 GLN 58 14.257 -3.976 -1.992 426 H MET 59 H MET 59 8.143 -1.710 -3.766 427 HA MET 59 HA MET 59 6.955 -4.202 -3.349 428 HB2 MET 59 HB3 MET 59 5.019 -2.858 -2.465 429 HB3 MET 59 HB2 MET 59 6.556 -2.430 -1.742 430 HG2 MET 59 HG3 MET 59 6.716 -0.455 -3.083 431 HG3 MET 59 HG2 MET 59 5.390 -0.906 -4.105 432 HE1 MET 59 HE1 MET 59 3.026 0.055 -3.823 433 HE2 MET 59 HE2 MET 59 2.224 -0.259 -2.286 434 HE3 MET 59 HE3 MET 59 3.056 -1.573 -3.129 435 H ARG 60 H ARG 60 6.365 -1.698 -5.826 436 HA ARG 60 HA ARG 60 3.840 -2.533 -6.656 437 HB2 ARG 60 HB3 ARG 60 5.107 -0.443 -7.327 438 HB3 ARG 60 HB2 ARG 60 6.102 -1.429 -8.398 439 HG2 ARG 60 HG3 ARG 60 4.037 -2.143 -9.627 440 HG3 ARG 60 HG2 ARG 60 3.073 -1.122 -8.560 441 HD2 ARG 60 HD3 ARG 60 3.495 0.052 -10.655 442 HD3 ARG 60 HD2 ARG 60 4.384 0.869 -9.352 443 HE ARG 60 HE ARG 60 6.059 -1.081 -10.568 444 HH11 ARG 60 HH21 ARG 60 4.581 1.997 -11.245 445 HH12 ARG 60 HH22 ARG 60 5.810 2.492 -12.359 446 HH21 ARG 60 HH11 ARG 60 7.665 -0.420 -12.032 447 HH22 ARG 60 HH12 ARG 60 7.552 1.127 -12.804 448 H ASP 61 H ASP 61 7.096 -3.516 -7.961 449 HA ASP 61 HA ASP 61 6.229 -5.417 -9.776 450 HB2 ASP 61 HB3 ASP 61 8.735 -5.306 -8.035 451 HB3 ASP 61 HB2 ASP 61 8.559 -6.352 -9.450 452 H ASP 62 H ASP 62 6.724 -5.621 -6.252 453 HA ASP 62 HA ASP 62 6.436 -8.489 -6.068 454 HB2 ASP 62 HB3 ASP 62 6.015 -6.391 -3.896 455 HB3 ASP 62 HB2 ASP 62 6.277 -8.109 -3.646 456 H LEU 63 H LEU 63 4.299 -5.698 -5.917 457 HA LEU 63 HA LEU 63 1.992 -6.991 -4.966 458 HB2 LEU 63 HB3 LEU 63 2.450 -4.417 -5.313 459 HB3 LEU 63 HB2 LEU 63 1.892 -4.675 -6.956 460 HG LEU 63 HG LEU 63 -0.233 -5.830 -5.752 461 HD11 LEU 63 HD11 LEU 63 0.675 -3.934 -3.541 462 HD12 LEU 63 HD12 LEU 63 0.786 -5.684 -3.441 463 HD13 LEU 63 HD13 LEU 63 -0.772 -4.926 -3.578 464 HD21 LEU 63 HD21 LEU 63 -0.446 -3.813 -7.133 465 HD22 LEU 63 HD22 LEU 63 0.147 -2.803 -5.816 466 HD23 LEU 63 HD23 LEU 63 -1.411 -3.620 -5.670 467 H GLU 64 H GLU 64 3.054 -6.345 -8.341 468 HA GLU 64 HA GLU 64 0.881 -7.615 -9.649 469 HB2 GLU 64 HB3 GLU 64 3.818 -7.403 -10.444 470 HB3 GLU 64 HB2 GLU 64 2.517 -7.854 -11.552 471 HG2 GLU 64 HG3 GLU 64 1.415 -5.651 -11.161 472 HG3 GLU 64 HG2 GLU 64 2.699 -5.197 -10.045 473 H LYS 65 H LYS 65 3.970 -8.968 -8.473 474 HA LYS 65 HA LYS 65 3.626 -11.647 -9.364 475 HB2 LYS 65 HB3 LYS 65 5.178 -10.443 -7.027 476 HB3 LYS 65 HB2 LYS 65 5.285 -12.161 -7.426 477 HG2 LYS 65 HG3 LYS 65 6.107 -11.586 -9.699 478 HG3 LYS 65 HG2 LYS 65 5.981 -9.875 -9.328 479 HD2 LYS 65 HD3 LYS 65 7.662 -10.149 -7.481 480 HD3 LYS 65 HD2 LYS 65 7.799 -11.863 -7.881 481 HE2 LYS 65 HE3 LYS 65 8.476 -9.556 -9.767 482 HE3 LYS 65 HE2 LYS 65 9.651 -10.579 -8.931 483 HZ1 LYS 65 HZ1 LYS 65 7.961 -11.175 -11.214 484 HZ2 LYS 65 HZ2 LYS 65 8.111 -12.417 -10.064 485 HZ3 LYS 65 HZ3 LYS 65 9.497 -11.777 -10.811 486 H GLU 66 H GLU 66 2.652 -10.099 -6.293 487 HA GLU 66 HA GLU 66 1.691 -12.395 -4.975 488 HB2 GLU 66 HB3 GLU 66 0.982 -9.455 -4.741 489 HB3 GLU 66 HB2 GLU 66 0.203 -10.650 -3.706 490 HG2 GLU 66 HG3 GLU 66 2.407 -11.344 -2.806 491 HG3 GLU 66 HG2 GLU 66 3.227 -10.222 -3.872 492 H ARG 67 H ARG 67 0.187 -10.307 -7.365 493 HA ARG 67 HA ARG 67 -2.447 -11.056 -7.214 494 HB2 ARG 67 HB3 ARG 67 -1.350 -9.266 -8.739 495 HB3 ARG 67 HB2 ARG 67 -0.965 -10.574 -9.855 496 HG2 ARG 67 HG3 ARG 67 -3.370 -11.171 -9.982 497 HG3 ARG 67 HG2 ARG 67 -3.738 -9.838 -8.903 498 HD2 ARG 67 HD3 ARG 67 -2.838 -8.228 -10.588 499 HD3 ARG 67 HD2 ARG 67 -2.497 -9.583 -11.668 500 HE ARG 67 HE ARG 67 -4.749 -9.685 -12.203 501 HH11 ARG 67 HH21 ARG 67 -4.383 -7.937 -9.205 502 HH12 ARG 67 HH22 ARG 67 -6.048 -7.468 -9.128 503 HH21 ARG 67 HH11 ARG 67 -6.920 -9.068 -12.077 504 HH22 ARG 67 HH12 ARG 67 -7.477 -8.104 -10.751 505 H GLU 68 H GLU 68 0.234 -12.661 -8.933 506 HA GLU 68 HA GLU 68 -1.315 -14.787 -10.096 507 HB2 GLU 68 HB3 GLU 68 1.674 -14.549 -9.508 508 HB3 GLU 68 HB2 GLU 68 0.946 -15.812 -10.504 509 HG2 GLU 68 HG3 GLU 68 0.095 -14.067 -12.080 510 HG3 GLU 68 HG2 GLU 68 0.834 -12.812 -11.091 511 H ASP 69 H ASP 69 0.337 -14.272 -7.046 512 HA ASP 69 HA ASP 69 0.167 -17.058 -6.135 513 HB2 ASP 69 HB3 ASP 69 0.712 -14.534 -4.510 514 HB3 ASP 69 HB2 ASP 69 1.010 -16.186 -3.987 515 H LEU 70 H LEU 70 -1.966 -14.370 -6.284 516 HA LEU 70 HA LEU 70 -3.553 -14.899 -3.961 517 HB2 LEU 70 HB3 LEU 70 -3.602 -12.684 -5.145 518 HB3 LEU 70 HB2 LEU 70 -4.396 -13.457 -6.507 519 HG LEU 70 HG LEU 70 -6.351 -14.035 -5.034 520 HD11 LEU 70 HD11 LEU 70 -6.464 -12.727 -2.765 521 HD12 LEU 70 HD12 LEU 70 -4.703 -12.691 -2.861 522 HD13 LEU 70 HD13 LEU 70 -5.561 -14.232 -2.821 523 HD21 LEU 70 HD21 LEU 70 -6.395 -11.953 -6.367 524 HD22 LEU 70 HD22 LEU 70 -5.633 -11.072 -5.039 525 HD23 LEU 70 HD23 LEU 70 -7.257 -11.733 -4.844 526 H ASP 71 H ASP 71 -3.803 -15.861 -7.340 527 HA ASP 71 HA ASP 71 -6.265 -17.431 -6.907 528 HB2 ASP 71 HB3 ASP 71 -6.070 -17.870 -9.376 529 HB3 ASP 71 HB2 ASP 71 -6.081 -16.153 -8.986 530 H LEU 72 H LEU 72 -2.876 -18.010 -7.846 531 HA LEU 72 HA LEU 72 -3.055 -20.875 -7.894 532 HB2 LEU 72 HB3 LEU 72 -0.637 -19.047 -7.593 533 HB3 LEU 72 HB2 LEU 72 -0.566 -20.758 -8.013 534 HG LEU 72 HG LEU 72 -1.930 -18.612 -9.713 535 HD11 LEU 72 HD11 LEU 72 0.759 -19.988 -10.123 536 HD12 LEU 72 HD12 LEU 72 0.520 -18.296 -9.681 537 HD13 LEU 72 HD13 LEU 72 0.002 -18.870 -11.262 538 HD21 LEU 72 HD21 LEU 72 -1.518 -21.603 -10.187 539 HD22 LEU 72 HD22 LEU 72 -1.805 -20.485 -11.521 540 HD23 LEU 72 HD23 LEU 72 -3.018 -20.678 -10.276 541 H ASP 73 H ASP 73 -4.076 -21.448 -5.956 542 HA ASP 73 HA ASP 73 -3.088 -20.773 -3.333 543 HB2 ASP 73 HB3 ASP 73 -4.916 -23.050 -4.261 544 HB3 ASP 73 HB2 ASP 73 -4.710 -22.512 -2.591 545 H HIS 74 H HIS 74 -0.834 -21.248 -3.552 546 HA HIS 74 HA HIS 74 0.226 -23.815 -4.264 547 HB2 HIS 74 HB3 HIS 74 1.435 -21.564 -2.577 548 HB3 HIS 74 HB2 HIS 74 2.337 -22.935 -3.227 549 HD2 HIS 74 HD2 HIS 74 1.237 -19.435 -4.358 550 HE1 HIS 74 HE1 HIS 74 2.352 -21.513 -7.860 551 HE2 HIS 74 HE2 HIS 74 1.763 -19.233 -6.907 552 H SER 75 H SER 75 -0.965 -22.350 -1.310 553 HA SER 75 HA SER 75 -1.326 -23.138 0.816 554 HB2 SER 75 HB3 SER 75 -2.834 -24.692 -0.390 555 HB3 SER 75 HB2 SER 75 -1.499 -25.812 -0.634 556 HG SER 75 HG SER 75 -2.603 -26.446 1.192 557 H SER 76 H SER 76 1.444 -23.236 -0.494 558 HA SER 76 HA SER 76 2.996 -25.324 0.614 559 HB2 SER 76 HB3 SER 76 3.841 -23.817 -1.175 560 HB3 SER 76 HB2 SER 76 3.833 -22.462 -0.050 561 HG SER 76 HG SER 76 5.376 -24.847 0.059 562 H LEU 77 H LEU 77 2.088 -22.118 1.805 563 HA LEU 77 HA LEU 77 3.678 -22.170 4.125 564 HB2 LEU 77 HB3 LEU 77 1.123 -20.592 3.663 565 HB3 LEU 77 HB2 LEU 77 2.363 -20.225 4.863 566 HG LEU 77 HG LEU 77 2.742 -20.159 1.823 567 HD11 LEU 77 HD11 LEU 77 1.367 -18.274 2.693 568 HD12 LEU 77 HD12 LEU 77 2.930 -17.702 2.111 569 HD13 LEU 77 HD13 LEU 77 2.645 -17.872 3.844 570 HD21 LEU 77 HD21 LEU 77 4.907 -20.730 2.664 571 HD22 LEU 77 HD22 LEU 77 4.739 -19.712 4.096 572 HD23 LEU 77 HD23 LEU 77 4.989 -18.982 2.510 573 HA PRO 78 HA PRO 78 1.569 -24.977 6.986 574 HB2 PRO 78 HB3 PRO 78 1.639 -22.606 8.912 575 HB3 PRO 78 HB2 PRO 78 2.021 -24.313 9.249 576 HG2 PRO 78 HG3 PRO 78 4.006 -22.564 8.878 577 HG3 PRO 78 HG2 PRO 78 4.112 -24.187 8.151 578 HD2 PRO 78 HD2 PRO 78 3.517 -21.552 6.766 579 HD3 PRO 78 HD3 PRO 78 4.365 -22.995 6.159 Start of MODEL 20 1 H1 ASN 1 1H ASN 1 -11.116 2.961 -11.908 2 H2 ASN 1 2H ASN 1 -11.083 4.048 -13.212 3 H3 ASN 1 3H ASN 1 -9.854 2.888 -13.039 4 HA ASN 1 HA ASN 1 -12.089 2.646 -14.578 5 HB2 ASN 1 HB3 ASN 1 -10.309 0.459 -13.393 6 HB3 ASN 1 HB2 ASN 1 -11.290 0.298 -14.855 7 HD21 ASN 1 HD21 ASN 1 -8.200 0.385 -14.301 8 HD22 ASN 1 HD22 ASN 1 -7.640 1.486 -15.467 9 H THR 2 H THR 2 -13.848 1.123 -14.528 10 HA THR 2 HA THR 2 -15.419 1.193 -12.169 11 HB THR 2 HB THR 2 -16.487 0.999 -14.360 12 HG1 THR 2 HG1 THR 2 -17.108 -0.351 -12.308 13 HG21 THR 2 HG21 THR 2 -15.134 -1.735 -14.575 14 HG22 THR 2 HG22 THR 2 -14.703 -0.315 -15.525 15 HG23 THR 2 HG23 THR 2 -16.286 -1.062 -15.719 16 H VAL 3 H VAL 3 -12.882 -0.903 -13.138 17 HA VAL 3 HA VAL 3 -13.609 -3.316 -11.848 18 HB VAL 3 HB VAL 3 -10.803 -2.169 -12.304 19 HG11 VAL 3 HG11 VAL 3 -10.763 -4.098 -10.724 20 HG12 VAL 3 HG12 VAL 3 -10.098 -4.589 -12.274 21 HG13 VAL 3 HG13 VAL 3 -11.744 -5.050 -11.839 22 HG21 VAL 3 HG21 VAL 3 -12.114 -2.293 -14.418 23 HG22 VAL 3 HG22 VAL 3 -12.523 -3.975 -14.080 24 HG23 VAL 3 HG23 VAL 3 -10.850 -3.522 -14.410 25 H ASP 4 H ASP 4 -11.856 -0.434 -10.694 26 HA ASP 4 HA ASP 4 -11.255 0.267 -8.595 27 HB2 ASP 4 HB3 ASP 4 -13.714 -1.336 -7.749 28 HB3 ASP 4 HB2 ASP 4 -12.952 -0.042 -6.824 29 H ASP 5 H ASP 5 -9.477 -1.451 -9.167 30 HA ASP 5 HA ASP 5 -9.372 -3.921 -7.746 31 HB2 ASP 5 HB3 ASP 5 -7.065 -2.175 -8.738 32 HB3 ASP 5 HB2 ASP 5 -6.942 -3.872 -8.266 33 H ILE 6 H ILE 6 -8.130 -4.444 -5.861 34 HA ILE 6 HA ILE 6 -8.458 -2.583 -3.697 35 HB ILE 6 HB ILE 6 -7.348 -4.392 -2.352 36 HG12 ILE 6 HG13 ILE 6 -7.117 -5.899 -5.029 37 HG13 ILE 6 HG12 ILE 6 -5.746 -5.142 -4.238 38 HG21 ILE 6 HG21 ILE 6 -9.468 -5.425 -4.314 39 HG22 ILE 6 HG22 ILE 6 -9.809 -4.508 -2.851 40 HG23 ILE 6 HG23 ILE 6 -9.115 -6.117 -2.730 41 HD11 ILE 6 HD11 ILE 6 -5.796 -7.508 -3.705 42 HD12 ILE 6 HD12 ILE 6 -7.429 -7.375 -3.061 43 HD13 ILE 6 HD13 ILE 6 -6.086 -6.569 -2.245 44 H SER 7 H SER 7 -5.890 -3.304 -5.902 45 HA SER 7 HA SER 7 -3.787 -2.027 -4.277 46 HB2 SER 7 HB3 SER 7 -2.291 -2.720 -6.073 47 HB3 SER 7 HB2 SER 7 -3.351 -4.074 -5.676 48 HG SER 7 HG SER 7 -4.172 -2.251 -7.633 49 H GLU 8 H GLU 8 -6.284 -0.733 -5.834 50 HA GLU 8 HA GLU 8 -5.234 1.010 -7.766 51 HB2 GLU 8 HB3 GLU 8 -7.690 0.581 -7.382 52 HB3 GLU 8 HB2 GLU 8 -7.608 1.544 -5.911 53 HG2 GLU 8 HG3 GLU 8 -8.479 2.941 -7.748 54 HG3 GLU 8 HG2 GLU 8 -6.888 3.536 -7.304 55 H SER 9 H SER 9 -5.545 1.359 -4.245 56 HA SER 9 HA SER 9 -4.791 4.065 -3.984 57 HB2 SER 9 HB3 SER 9 -4.261 1.740 -2.100 58 HB3 SER 9 HB2 SER 9 -4.175 3.445 -1.655 59 HG SER 9 HG SER 9 -6.215 3.119 -1.225 60 H LEU 10 H LEU 10 -2.779 1.094 -3.848 61 HA LEU 10 HA LEU 10 -0.251 2.430 -3.658 62 HB2 LEU 10 HB3 LEU 10 -0.989 -0.319 -4.743 63 HB3 LEU 10 HB2 LEU 10 0.643 0.172 -4.282 64 HG LEU 10 HG LEU 10 -1.738 0.092 -2.346 65 HD11 LEU 10 HD11 LEU 10 -1.203 -2.176 -3.077 66 HD12 LEU 10 HD12 LEU 10 -0.654 -1.956 -1.429 67 HD13 LEU 10 HD13 LEU 10 0.500 -1.924 -2.745 68 HD21 LEU 10 HD21 LEU 10 1.249 0.622 -1.926 69 HD22 LEU 10 HD22 LEU 10 0.163 0.238 -0.623 70 HD23 LEU 10 HD23 LEU 10 -0.091 1.682 -1.528 71 H ARG 11 H ARG 11 -2.199 1.336 -6.395 72 HA ARG 11 HA ARG 11 -0.280 1.659 -8.419 73 HB2 ARG 11 HB3 ARG 11 -2.587 0.596 -8.648 74 HB3 ARG 11 HB2 ARG 11 -3.273 2.220 -8.711 75 HG2 ARG 11 HG3 ARG 11 -1.866 2.736 -10.729 76 HG3 ARG 11 HG2 ARG 11 -1.194 1.104 -10.667 77 HD2 ARG 11 HD3 ARG 11 -4.143 1.773 -11.046 78 HD3 ARG 11 HD2 ARG 11 -3.028 1.278 -12.331 79 HE ARG 11 HE ARG 11 -2.934 -0.651 -10.255 80 HH11 ARG 11 HH21 ARG 11 -5.073 0.571 -12.700 81 HH12 ARG 11 HH22 ARG 11 -5.927 -0.922 -12.894 82 HH21 ARG 11 HH11 ARG 11 -4.053 -2.603 -10.503 83 HH22 ARG 11 HH12 ARG 11 -5.348 -2.722 -11.646 84 H GLN 12 H GLN 12 -2.124 4.000 -6.607 85 HA GLN 12 HA GLN 12 -2.211 6.211 -8.213 86 HB2 GLN 12 HB3 GLN 12 -2.994 6.037 -5.784 87 HB3 GLN 12 HB2 GLN 12 -1.329 6.296 -5.283 88 HG2 GLN 12 HG3 GLN 12 -2.480 8.457 -5.196 89 HG3 GLN 12 HG2 GLN 12 -1.361 8.521 -6.551 90 HE21 GLN 12 HE21 GLN 12 -2.475 9.788 -8.119 91 HE22 GLN 12 HE22 GLN 12 -4.063 9.477 -8.631 92 H GLY 13 H GLY 13 0.510 5.683 -5.936 93 HA2 GLY 13 HA3 GLY 13 2.761 6.136 -6.104 94 HA3 GLY 13 HA2 GLY 13 2.580 6.058 -7.855 95 H GLY 14 H GLY 14 0.537 8.255 -6.185 96 HA2 GLY 14 HA3 GLY 14 1.262 10.541 -7.588 97 HA3 GLY 14 HA2 GLY 14 0.429 10.548 -6.039 98 H GLY 15 H GLY 15 3.016 8.979 -5.123 99 HA2 GLY 15 HA3 GLY 15 5.256 9.509 -4.592 100 HA3 GLY 15 HA2 GLY 15 4.956 11.216 -4.899 101 H LYS 16 H LYS 16 3.300 12.231 -3.404 102 HA LYS 16 HA LYS 16 4.105 11.851 -0.659 103 HB2 LYS 16 HB3 LYS 16 1.962 13.557 -1.997 104 HB3 LYS 16 HB2 LYS 16 2.314 13.655 -0.268 105 HG2 LYS 16 HG3 LYS 16 4.571 14.010 -2.312 106 HG3 LYS 16 HG2 LYS 16 3.519 15.373 -1.929 107 HD2 LYS 16 HD3 LYS 16 4.137 15.289 0.448 108 HD3 LYS 16 HD2 LYS 16 5.044 13.804 0.228 109 HE2 LYS 16 HE3 LYS 16 6.655 14.939 -1.214 110 HE3 LYS 16 HE2 LYS 16 5.731 16.444 -1.102 111 HZ1 LYS 16 HZ1 LYS 16 7.451 15.174 0.864 112 HZ2 LYS 16 HZ2 LYS 16 6.023 15.870 1.468 113 HZ3 LYS 16 HZ3 LYS 16 7.134 16.819 0.600 114 H LEU 17 H LEU 17 3.465 10.098 0.374 115 HA LEU 17 HA LEU 17 0.582 9.589 0.698 116 HB2 LEU 17 HB3 LEU 17 2.543 7.742 -0.708 117 HB3 LEU 17 HB2 LEU 17 1.326 6.994 0.306 118 HG LEU 17 HG LEU 17 0.650 8.914 -1.960 119 HD11 LEU 17 HD11 LEU 17 0.676 5.890 -1.970 120 HD12 LEU 17 HD12 LEU 17 1.675 6.970 -2.933 121 HD13 LEU 17 HD13 LEU 17 -0.058 6.894 -3.217 122 HD21 LEU 17 HD21 LEU 17 -1.643 7.411 -1.474 123 HD22 LEU 17 HD22 LEU 17 -1.333 8.989 -0.783 124 HD23 LEU 17 HD23 LEU 17 -0.996 7.554 0.166 125 H ASN 18 H ASN 18 0.137 8.985 2.650 126 HA ASN 18 HA ASN 18 2.219 7.938 4.498 127 HB2 ASN 18 HB3 ASN 18 2.002 10.342 4.978 128 HB3 ASN 18 HB2 ASN 18 0.244 10.218 4.954 129 HD21 ASN 18 HD21 ASN 18 -0.795 9.566 6.870 130 HD22 ASN 18 HD22 ASN 18 0.012 9.106 8.271 131 H PHE 19 H PHE 19 1.440 6.382 5.814 132 HA PHE 19 HA PHE 19 -0.416 4.592 5.335 133 HB2 PHE 19 HB3 PHE 19 -0.504 4.050 7.738 134 HB3 PHE 19 HB2 PHE 19 1.114 4.545 7.260 135 HD1 PHE 19 HD1 PHE 19 -1.984 5.701 9.009 136 HD2 PHE 19 HD2 PHE 19 2.143 6.617 8.105 137 HE1 PHE 19 HE1 PHE 19 -2.021 7.548 10.660 138 HE2 PHE 19 HE2 PHE 19 2.094 8.449 9.769 139 HZ PHE 19 HZ PHE 19 0.013 8.924 11.040 140 H ASP 20 H ASP 20 -1.187 7.762 6.647 141 HA ASP 20 HA ASP 20 -3.907 7.187 7.411 142 HB2 ASP 20 HB3 ASP 20 -2.464 9.071 8.299 143 HB3 ASP 20 HB2 ASP 20 -2.622 9.885 6.747 144 H GLU 21 H GLU 21 -2.360 8.792 4.690 145 HA GLU 21 HA GLU 21 -4.649 9.391 3.164 146 HB2 GLU 21 HB3 GLU 21 -1.847 8.690 2.168 147 HB3 GLU 21 HB2 GLU 21 -3.087 9.463 1.177 148 HG2 GLU 21 HG3 GLU 21 -1.906 10.638 3.745 149 HG3 GLU 21 HG2 GLU 21 -1.432 11.106 2.114 150 H LEU 22 H LEU 22 -2.781 6.450 3.384 151 HA LEU 22 HA LEU 22 -4.269 4.995 1.309 152 HB2 LEU 22 HB3 LEU 22 -2.479 3.920 3.549 153 HB3 LEU 22 HB2 LEU 22 -2.930 3.068 2.065 154 HG LEU 22 HG LEU 22 -1.281 5.625 2.221 155 HD11 LEU 22 HD11 LEU 22 0.567 4.145 1.371 156 HD12 LEU 22 HD12 LEU 22 -0.462 2.748 1.651 157 HD13 LEU 22 HD13 LEU 22 0.034 3.777 2.993 158 HD21 LEU 22 HD21 LEU 22 -2.478 5.657 0.100 159 HD22 LEU 22 HD22 LEU 22 -2.220 3.942 -0.163 160 HD23 LEU 22 HD23 LEU 22 -0.878 5.069 -0.289 161 H ARG 23 H ARG 23 -4.122 4.896 4.814 162 HA ARG 23 HA ARG 23 -6.168 2.935 5.098 163 HB2 ARG 23 HB3 ARG 23 -4.758 3.456 6.974 164 HB3 ARG 23 HB2 ARG 23 -5.267 5.140 6.976 165 HG2 ARG 23 HG3 ARG 23 -7.467 4.655 7.812 166 HG3 ARG 23 HG2 ARG 23 -7.388 2.965 7.332 167 HD2 ARG 23 HD3 ARG 23 -7.163 3.165 9.745 168 HD3 ARG 23 HD2 ARG 23 -5.644 2.585 9.051 169 HE ARG 23 HE ARG 23 -5.560 5.411 9.194 170 HH11 ARG 23 HH21 ARG 23 -5.567 2.629 11.280 171 HH12 ARG 23 HH22 ARG 23 -4.658 3.403 12.534 172 HH21 ARG 23 HH11 ARG 23 -4.364 6.412 10.830 173 HH22 ARG 23 HH12 ARG 23 -3.979 5.542 12.278 174 H GLN 24 H GLN 24 -6.435 6.468 5.333 175 HA GLN 24 HA GLN 24 -9.173 6.655 5.787 176 HB2 GLN 24 HB3 GLN 24 -7.289 8.536 4.306 177 HB3 GLN 24 HB2 GLN 24 -8.896 9.011 4.868 178 HG2 GLN 24 HG3 GLN 24 -6.949 7.757 6.846 179 HG3 GLN 24 HG2 GLN 24 -6.763 9.456 6.418 180 HE21 GLN 24 HE21 GLN 24 -8.094 7.567 8.766 181 HE22 GLN 24 HE22 GLN 24 -9.400 8.546 9.232 182 H ASP 25 H ASP 25 -7.420 6.351 2.663 183 HA ASP 25 HA ASP 25 -9.765 6.744 1.050 184 HB2 ASP 25 HB3 ASP 25 -6.924 5.741 0.623 185 HB3 ASP 25 HB2 ASP 25 -8.100 5.879 -0.688 186 H LEU 26 H LEU 26 -7.682 4.055 2.140 187 HA LEU 26 HA LEU 26 -9.146 1.981 0.776 188 HB2 LEU 26 HB3 LEU 26 -7.312 1.798 3.169 189 HB3 LEU 26 HB2 LEU 26 -7.946 0.379 2.344 190 HG LEU 26 HG LEU 26 -6.348 2.486 0.782 191 HD11 LEU 26 HD11 LEU 26 -4.340 1.064 1.097 192 HD12 LEU 26 HD12 LEU 26 -5.244 0.007 2.185 193 HD13 LEU 26 HD13 LEU 26 -4.906 1.674 2.647 194 HD21 LEU 26 HD21 LEU 26 -7.652 0.872 -0.584 195 HD22 LEU 26 HD22 LEU 26 -6.908 -0.462 0.270 196 HD23 LEU 26 HD23 LEU 26 -5.942 0.572 -0.752 197 H LYS 27 H LYS 27 -9.619 3.450 3.894 198 HA LYS 27 HA LYS 27 -11.298 1.482 5.073 199 HB2 LYS 27 HB3 LYS 27 -10.430 3.522 6.190 200 HB3 LYS 27 HB2 LYS 27 -11.490 4.508 5.181 201 HG2 LYS 27 HG3 LYS 27 -13.497 3.530 6.212 202 HG3 LYS 27 HG2 LYS 27 -12.531 2.321 7.064 203 HD2 LYS 27 HD3 LYS 27 -13.203 4.147 8.594 204 HD3 LYS 27 HD2 LYS 27 -11.450 4.102 8.414 205 HE2 LYS 27 HE3 LYS 27 -11.443 6.085 7.012 206 HE3 LYS 27 HE2 LYS 27 -13.192 5.972 6.728 207 HZ1 LYS 27 HZ1 LYS 27 -13.100 6.064 9.390 208 HZ2 LYS 27 HZ2 LYS 27 -13.282 7.431 8.395 209 HZ3 LYS 27 HZ3 LYS 27 -11.751 7.016 9.004 210 H GLY 28 H GLY 28 -12.093 4.147 2.820 211 HA2 GLY 28 HA3 GLY 28 -14.900 3.736 2.654 212 HA3 GLY 28 HA2 GLY 28 -13.905 4.538 1.447 213 H LYS 29 H LYS 29 -12.202 2.236 0.938 214 HA LYS 29 HA LYS 29 -13.733 0.943 -1.114 215 HB2 LYS 29 HB3 LYS 29 -10.988 0.190 -0.015 216 HB3 LYS 29 HB2 LYS 29 -11.646 -0.234 -1.584 217 HG2 LYS 29 HG3 LYS 29 -11.079 2.619 -0.722 218 HG3 LYS 29 HG2 LYS 29 -9.969 1.648 -1.670 219 HD2 LYS 29 HD3 LYS 29 -11.720 1.421 -3.453 220 HD3 LYS 29 HD2 LYS 29 -12.794 2.449 -2.518 221 HE2 LYS 29 HE3 LYS 29 -11.214 4.321 -2.683 222 HE3 LYS 29 HE2 LYS 29 -10.087 3.301 -3.591 223 HZ1 LYS 29 HZ1 LYS 29 -11.352 4.502 -5.164 224 HZ2 LYS 29 HZ2 LYS 29 -12.820 4.133 -4.391 225 HZ3 LYS 29 HZ3 LYS 29 -11.947 2.914 -5.191 226 H GLY 30 H GLY 30 -13.975 0.472 2.011 227 HA2 GLY 30 HA3 GLY 30 -14.999 -1.137 3.298 228 HA3 GLY 30 HA2 GLY 30 -15.361 -2.001 1.808 229 H HIS 31 H HIS 31 -12.000 -1.213 2.457 230 HA HIS 31 HA HIS 31 -11.265 -3.988 2.452 231 HB2 HIS 31 HB3 HIS 31 -9.746 -1.390 2.925 232 HB3 HIS 31 HB2 HIS 31 -8.964 -2.968 3.031 233 HD2 HIS 31 HD2 HIS 31 -7.532 -2.839 0.638 234 HE1 HIS 31 HE1 HIS 31 -10.914 -2.466 -1.849 235 HE2 HIS 31 HE2 HIS 31 -8.386 -2.809 -1.826 236 H THR 32 H THR 32 -9.936 -4.969 4.140 237 HA THR 32 HA THR 32 -11.353 -4.720 6.734 238 HB THR 32 HB THR 32 -10.348 -6.901 7.224 239 HG1 THR 32 HG1 THR 32 -9.223 -7.277 4.785 240 HG21 THR 32 HG21 THR 32 -12.404 -6.834 5.751 241 HG22 THR 32 HG22 THR 32 -11.372 -8.226 5.414 242 HG23 THR 32 HG23 THR 32 -11.347 -6.836 4.336 243 H ASP 33 H ASP 33 -10.149 -4.760 8.721 244 HA ASP 33 HA ASP 33 -8.179 -2.736 8.866 245 HB2 ASP 33 HB3 ASP 33 -7.967 -3.445 11.250 246 HB3 ASP 33 HB2 ASP 33 -9.655 -3.306 10.759 247 H ALA 34 H ALA 34 -7.934 -6.281 8.988 248 HA ALA 34 HA ALA 34 -5.172 -6.490 9.496 249 HB1 ALA 34 HB1 ALA 34 -5.351 -8.783 8.592 250 HB2 ALA 34 HB2 ALA 34 -6.906 -8.382 7.853 251 HB3 ALA 34 HB3 ALA 34 -6.747 -8.408 9.607 252 H GLU 35 H GLU 35 -6.905 -6.441 6.279 253 HA GLU 35 HA GLU 35 -4.559 -6.560 4.738 254 HB2 GLU 35 HB3 GLU 35 -7.352 -5.505 4.201 255 HB3 GLU 35 HB2 GLU 35 -6.149 -5.657 2.919 256 HG2 GLU 35 HG3 GLU 35 -7.084 -8.001 4.660 257 HG3 GLU 35 HG2 GLU 35 -7.747 -7.634 3.070 258 H ILE 36 H ILE 36 -6.446 -3.848 5.914 259 HA ILE 36 HA ILE 36 -5.154 -1.788 4.480 260 HB ILE 36 HB ILE 36 -6.590 -1.828 7.154 261 HG12 ILE 36 HG13 ILE 36 -7.418 -0.441 4.564 262 HG13 ILE 36 HG12 ILE 36 -7.804 -2.104 4.873 263 HG21 ILE 36 HG21 ILE 36 -5.101 0.086 7.453 264 HG22 ILE 36 HG22 ILE 36 -6.648 0.736 6.992 265 HG23 ILE 36 HG23 ILE 36 -5.373 0.624 5.793 266 HD11 ILE 36 HD11 ILE 36 -8.624 0.173 6.697 267 HD12 ILE 36 HD12 ILE 36 -9.108 -1.527 6.828 268 HD13 ILE 36 HD13 ILE 36 -9.654 -0.550 5.462 269 H GLU 37 H GLU 37 -4.527 -2.923 7.824 270 HA GLU 37 HA GLU 37 -2.443 -1.242 8.356 271 HB2 GLU 37 HB3 GLU 37 -1.933 -2.589 10.290 272 HB3 GLU 37 HB2 GLU 37 -3.677 -2.414 10.088 273 HG2 GLU 37 HG3 GLU 37 -3.661 -4.662 8.972 274 HG3 GLU 37 HG2 GLU 37 -1.990 -4.864 9.405 275 H ALA 38 H ALA 38 -2.437 -4.504 7.061 276 HA ALA 38 HA ALA 38 0.331 -5.003 7.162 277 HB1 ALA 38 HB1 ALA 38 -1.434 -6.736 6.900 278 HB2 ALA 38 HB2 ALA 38 -0.239 -6.853 5.607 279 HB3 ALA 38 HB3 ALA 38 -1.814 -6.110 5.298 280 H ILE 39 H ILE 39 -1.765 -3.833 4.532 281 HA ILE 39 HA ILE 39 0.204 -3.820 2.508 282 HB ILE 39 HB ILE 39 -2.513 -2.520 2.863 283 HG12 ILE 39 HG13 ILE 39 -2.799 -3.315 0.421 284 HG13 ILE 39 HG12 ILE 39 -1.160 -3.952 0.505 285 HG21 ILE 39 HG21 ILE 39 -2.251 -1.080 0.742 286 HG22 ILE 39 HG22 ILE 39 -0.518 -1.299 0.917 287 HG23 ILE 39 HG23 ILE 39 -1.429 -0.440 2.157 288 HD11 ILE 39 HD11 ILE 39 -1.974 -5.289 2.610 289 HD12 ILE 39 HD12 ILE 39 -2.561 -5.799 1.025 290 HD13 ILE 39 HD13 ILE 39 -3.593 -4.835 2.059 291 H PHE 40 H PHE 40 -0.759 -1.147 4.642 292 HA PHE 40 HA PHE 40 1.086 0.705 3.445 293 HB2 PHE 40 HB3 PHE 40 0.197 2.278 4.866 294 HB3 PHE 40 HB2 PHE 40 -1.069 1.087 5.056 295 HD1 PHE 40 HD2 PHE 40 2.093 2.438 6.527 296 HD2 PHE 40 HD1 PHE 40 -1.313 -0.032 7.196 297 HE1 PHE 40 HE2 PHE 40 2.678 2.263 8.896 298 HE2 PHE 40 HE1 PHE 40 -0.709 -0.264 9.601 299 HZ PHE 40 HZ PHE 40 1.314 0.902 10.457 300 H THR 41 H THR 41 1.195 -1.465 6.210 301 HA THR 41 HA THR 41 3.536 -0.585 7.421 302 HB THR 41 HB THR 41 2.116 -3.259 7.304 303 HG1 THR 41 HG1 THR 41 2.470 -1.908 9.654 304 HG21 THR 41 HG21 THR 41 4.660 -2.533 8.800 305 HG22 THR 41 HG22 THR 41 4.349 -3.962 7.809 306 HG23 THR 41 HG23 THR 41 3.561 -3.782 9.369 307 H LYS 42 H LYS 42 3.047 -2.911 4.818 308 HA LYS 42 HA LYS 42 5.772 -3.734 4.606 309 HB2 LYS 42 HB3 LYS 42 3.373 -3.762 2.738 310 HB3 LYS 42 HB2 LYS 42 4.909 -4.484 2.251 311 HG2 LYS 42 HG3 LYS 42 3.547 -5.305 4.875 312 HG3 LYS 42 HG2 LYS 42 3.068 -6.045 3.346 313 HD2 LYS 42 HD3 LYS 42 5.381 -6.843 2.955 314 HD3 LYS 42 HD2 LYS 42 5.945 -6.046 4.419 315 HE2 LYS 42 HE3 LYS 42 5.543 -8.464 4.816 316 HE3 LYS 42 HE2 LYS 42 4.456 -7.472 5.795 317 HZ1 LYS 42 HZ1 LYS 42 2.672 -7.931 4.436 318 HZ2 LYS 42 HZ2 LYS 42 3.498 -9.416 4.446 319 HZ3 LYS 42 HZ3 LYS 42 3.638 -8.372 3.113 320 H TYR 43 H TYR 43 3.836 -1.413 2.694 321 HA TYR 43 HA TYR 43 6.094 -0.549 1.140 322 HB2 TYR 43 HB3 TYR 43 3.333 0.604 1.616 323 HB3 TYR 43 HB2 TYR 43 4.527 1.468 0.661 324 HD1 TYR 43 HD2 TYR 43 3.248 -2.081 0.922 325 HD2 TYR 43 HD1 TYR 43 4.320 1.177 -1.703 326 HE1 TYR 43 HE2 TYR 43 2.683 -3.452 -1.032 327 HE2 TYR 43 HE1 TYR 43 3.741 -0.234 -3.643 328 HH TYR 43 HH TYR 43 2.077 -2.314 -3.934 329 H ASP 44 H ASP 44 4.700 0.590 4.202 330 HA ASP 44 HA ASP 44 6.775 2.724 4.341 331 HB2 ASP 44 HB3 ASP 44 3.996 2.855 4.765 332 HB3 ASP 44 HB2 ASP 44 4.594 2.673 6.390 333 H GLN 45 H GLN 45 8.530 1.946 5.259 334 HA GLN 45 HA GLN 45 8.699 -0.282 6.983 335 HB2 GLN 45 HB3 GLN 45 10.585 2.060 6.464 336 HB3 GLN 45 HB2 GLN 45 11.051 0.699 7.486 337 HG2 GLN 45 HG3 GLN 45 11.889 0.360 5.178 338 HG3 GLN 45 HG2 GLN 45 10.684 -0.863 5.572 339 HE21 GLN 45 HE21 GLN 45 8.521 -0.631 4.556 340 HE22 GLN 45 HE22 GLN 45 8.337 0.314 3.157 341 H ASP 46 H ASP 46 8.883 3.296 7.898 342 HA ASP 46 HA ASP 46 8.492 2.514 10.727 343 HB2 ASP 46 HB3 ASP 46 9.425 5.108 9.410 344 HB3 ASP 46 HB2 ASP 46 9.405 4.771 11.144 345 H GLY 47 H GLY 47 6.635 3.448 8.089 346 HA2 GLY 47 HA3 GLY 47 4.533 4.466 7.906 347 HA3 GLY 47 HA2 GLY 47 4.295 3.894 9.519 348 H ASP 48 H ASP 48 6.880 6.103 8.976 349 HA ASP 48 HA ASP 48 5.321 8.322 10.264 350 HB2 ASP 48 HB3 ASP 48 7.088 7.215 11.671 351 HB3 ASP 48 HB2 ASP 48 8.301 7.694 10.486 352 H GLN 49 H GLN 49 7.095 7.376 7.516 353 HA GLN 49 HA GLN 49 7.427 10.218 6.603 354 HB2 GLN 49 HB3 GLN 49 9.428 9.418 5.340 355 HB3 GLN 49 HB2 GLN 49 9.609 9.211 7.079 356 HG2 GLN 49 HG3 GLN 49 10.410 7.140 6.199 357 HG3 GLN 49 HG2 GLN 49 8.783 6.739 6.708 358 HE21 GLN 49 HE21 GLN 49 7.259 6.145 5.053 359 HE22 GLN 49 HE22 GLN 49 7.704 5.987 3.420 360 H GLU 50 H GLU 50 7.514 10.391 4.250 361 HA GLU 50 HA GLU 50 5.211 9.289 3.037 362 HB2 GLU 50 HB3 GLU 50 5.813 10.756 1.131 363 HB3 GLU 50 HB2 GLU 50 5.825 11.638 2.665 364 HG2 GLU 50 HG3 GLU 50 8.314 11.386 2.791 365 HG3 GLU 50 HG2 GLU 50 8.311 10.528 1.253 366 H LEU 51 H LEU 51 5.144 8.034 1.143 367 HA LEU 51 HA LEU 51 7.290 6.032 1.033 368 HB2 LEU 51 HB3 LEU 51 4.641 6.325 -0.448 369 HB3 LEU 51 HB2 LEU 51 5.668 4.889 -0.534 370 HG LEU 51 HG LEU 51 4.398 5.985 2.033 371 HD11 LEU 51 HD11 LEU 51 2.931 3.960 1.870 372 HD12 LEU 51 HD12 LEU 51 3.596 3.635 0.272 373 HD13 LEU 51 HD13 LEU 51 2.687 5.091 0.551 374 HD21 LEU 51 HD21 LEU 51 6.290 3.678 1.474 375 HD22 LEU 51 HD22 LEU 51 5.070 3.485 2.700 376 HD23 LEU 51 HD23 LEU 51 6.230 4.780 2.841 377 H THR 52 H THR 52 8.953 6.261 -0.241 378 HA THR 52 HA THR 52 9.059 8.079 -2.449 379 HB THR 52 HB THR 52 11.084 5.990 -1.487 380 HG1 THR 52 HG1 THR 52 11.987 7.807 -0.434 381 HG21 THR 52 HG21 THR 52 12.711 7.699 -2.551 382 HG22 THR 52 HG22 THR 52 11.326 8.382 -3.388 383 HG23 THR 52 HG23 THR 52 11.807 6.704 -3.688 384 H GLU 53 H GLU 53 10.006 7.301 -4.389 385 HA GLU 53 HA GLU 53 8.145 5.546 -5.689 386 HB2 GLU 53 HB3 GLU 53 10.691 6.807 -6.784 387 HB3 GLU 53 HB2 GLU 53 9.449 6.004 -7.759 388 HG2 GLU 53 HG3 GLU 53 7.765 7.688 -6.973 389 HG3 GLU 53 HG2 GLU 53 9.020 8.499 -6.035 390 H HIS 54 H HIS 54 11.646 5.401 -5.193 391 HA HIS 54 HA HIS 54 12.145 2.949 -6.427 392 HB2 HIS 54 HB3 HIS 54 13.527 3.956 -3.891 393 HB3 HIS 54 HB2 HIS 54 14.173 2.731 -4.992 394 HD2 HIS 54 HD2 HIS 54 14.123 6.557 -4.643 395 HE1 HIS 54 HE1 HIS 54 15.443 5.729 -8.564 396 HE2 HIS 54 HE2 HIS 54 15.168 7.550 -6.817 397 H GLU 55 H GLU 55 11.450 3.383 -2.886 398 HA GLU 55 HA GLU 55 11.253 0.670 -2.307 399 HB2 GLU 55 HB3 GLU 55 11.373 2.613 -0.663 400 HB3 GLU 55 HB2 GLU 55 9.689 2.979 -1.025 401 HG2 GLU 55 HG3 GLU 55 9.773 1.632 1.019 402 HG3 GLU 55 HG2 GLU 55 9.061 0.642 -0.238 403 H HIS 56 H HIS 56 8.650 3.014 -3.100 404 HA HIS 56 HA HIS 56 6.498 1.233 -2.944 405 HB2 HIS 56 HB3 HIS 56 6.268 3.714 -3.075 406 HB3 HIS 56 HB2 HIS 56 6.753 3.670 -4.764 407 HD2 HIS 56 HD2 HIS 56 3.530 3.578 -2.798 408 HE1 HIS 56 HE1 HIS 56 2.654 1.510 -6.367 409 HE2 HIS 56 HE2 HIS 56 1.644 2.571 -4.291 410 H GLN 57 H GLN 57 8.349 2.215 -5.920 411 HA GLN 57 HA GLN 57 6.915 0.555 -7.700 412 HB2 GLN 57 HB3 GLN 57 9.614 1.887 -7.708 413 HB3 GLN 57 HB2 GLN 57 9.356 0.652 -8.923 414 HG2 GLN 57 HG3 GLN 57 8.764 3.063 -9.619 415 HG3 GLN 57 HG2 GLN 57 7.539 1.849 -9.929 416 HE21 GLN 57 HE21 GLN 57 8.314 3.646 -6.930 417 HE22 GLN 57 HE22 GLN 57 6.763 4.265 -6.707 418 H GLN 58 H GLN 58 9.595 -0.211 -5.541 419 HA GLN 58 HA GLN 58 10.193 -2.760 -6.681 420 HB2 GLN 58 HB3 GLN 58 11.633 -1.388 -5.056 421 HB3 GLN 58 HB2 GLN 58 10.573 -1.931 -3.754 422 HG2 GLN 58 HG3 GLN 58 11.111 -4.324 -4.383 423 HG3 GLN 58 HG2 GLN 58 12.219 -3.727 -5.611 424 HE21 GLN 58 HE21 GLN 58 12.996 -5.381 -3.378 425 HE22 GLN 58 HE22 GLN 58 14.063 -4.475 -2.421 426 H MET 59 H MET 59 8.280 -1.848 -3.725 427 HA MET 59 HA MET 59 7.275 -4.449 -3.224 428 HB2 MET 59 HB3 MET 59 6.058 -1.747 -2.560 429 HB3 MET 59 HB2 MET 59 5.626 -3.273 -1.778 430 HG2 MET 59 HG3 MET 59 8.384 -2.013 -1.745 431 HG3 MET 59 HG2 MET 59 7.237 -1.891 -0.450 432 HE1 MET 59 HE1 MET 59 10.380 -3.455 -0.981 433 HE2 MET 59 HE2 MET 59 9.617 -4.113 -2.423 434 HE3 MET 59 HE3 MET 59 10.171 -5.205 -1.152 435 H ARG 60 H ARG 60 6.172 -1.824 -5.284 436 HA ARG 60 HA ARG 60 3.545 -2.746 -5.833 437 HB2 ARG 60 HB3 ARG 60 4.480 -0.567 -6.592 438 HB3 ARG 60 HB2 ARG 60 5.524 -1.431 -7.715 439 HG2 ARG 60 HG3 ARG 60 3.504 -2.334 -8.893 440 HG3 ARG 60 HG2 ARG 60 2.484 -1.443 -7.769 441 HD2 ARG 60 HD3 ARG 60 3.380 0.664 -8.608 442 HD3 ARG 60 HD2 ARG 60 4.538 -0.196 -9.624 443 HE ARG 60 HE ARG 60 2.125 -1.205 -10.376 444 HH11 ARG 60 HH21 ARG 60 3.572 1.950 -10.207 445 HH12 ARG 60 HH22 ARG 60 2.694 2.590 -11.555 446 HH21 ARG 60 HH11 ARG 60 0.959 -0.348 -12.167 447 HH22 ARG 60 HH12 ARG 60 1.218 1.292 -12.660 448 H ASP 61 H ASP 61 6.583 -3.501 -7.652 449 HA ASP 61 HA ASP 61 5.471 -5.316 -9.474 450 HB2 ASP 61 HB3 ASP 61 7.790 -4.376 -9.611 451 HB3 ASP 61 HB2 ASP 61 8.272 -5.377 -8.245 452 H ASP 62 H ASP 62 6.773 -5.808 -6.242 453 HA ASP 62 HA ASP 62 6.550 -8.652 -6.104 454 HB2 ASP 62 HB3 ASP 62 7.859 -7.254 -4.452 455 HB3 ASP 62 HB2 ASP 62 6.340 -6.681 -3.768 456 H LEU 63 H LEU 63 4.328 -5.987 -5.345 457 HA LEU 63 HA LEU 63 2.318 -7.519 -4.128 458 HB2 LEU 63 HB3 LEU 63 2.646 -4.823 -4.533 459 HB3 LEU 63 HB2 LEU 63 1.461 -5.105 -5.772 460 HG LEU 63 HG LEU 63 0.291 -4.450 -3.719 461 HD11 LEU 63 HD11 LEU 63 -0.667 -6.341 -5.194 462 HD12 LEU 63 HD12 LEU 63 -1.314 -6.192 -3.566 463 HD13 LEU 63 HD13 LEU 63 -0.142 -7.452 -3.920 464 HD21 LEU 63 HD21 LEU 63 1.112 -6.838 -2.065 465 HD22 LEU 63 HD22 LEU 63 0.772 -5.184 -1.582 466 HD23 LEU 63 HD23 LEU 63 2.342 -5.589 -2.245 467 H GLU 64 H GLU 64 2.703 -6.494 -7.531 468 HA GLU 64 HA GLU 64 0.351 -7.658 -8.541 469 HB2 GLU 64 HB3 GLU 64 1.890 -6.113 -9.780 470 HB3 GLU 64 HB2 GLU 64 3.046 -7.432 -9.953 471 HG2 GLU 64 HG3 GLU 64 1.342 -8.755 -11.218 472 HG3 GLU 64 HG2 GLU 64 0.186 -7.444 -11.029 473 H LYS 65 H LYS 65 3.572 -9.071 -8.081 474 HA LYS 65 HA LYS 65 3.077 -11.647 -9.185 475 HB2 LYS 65 HB3 LYS 65 5.060 -10.602 -7.113 476 HB3 LYS 65 HB2 LYS 65 5.107 -12.275 -7.703 477 HG2 LYS 65 HG3 LYS 65 5.395 -11.437 -10.038 478 HG3 LYS 65 HG2 LYS 65 5.356 -9.775 -9.448 479 HD2 LYS 65 HD3 LYS 65 7.396 -10.211 -8.069 480 HD3 LYS 65 HD2 LYS 65 7.428 -11.879 -8.647 481 HE2 LYS 65 HE3 LYS 65 7.742 -11.077 -10.976 482 HE3 LYS 65 HE2 LYS 65 7.699 -9.402 -10.409 483 HZ1 LYS 65 HZ1 LYS 65 9.886 -11.098 -10.514 484 HZ2 LYS 65 HZ2 LYS 65 9.530 -10.889 -8.866 485 HZ3 LYS 65 HZ3 LYS 65 9.816 -9.537 -9.855 486 H GLU 66 H GLU 66 2.718 -10.397 -5.869 487 HA GLU 66 HA GLU 66 2.092 -12.881 -4.616 488 HB2 GLU 66 HB3 GLU 66 1.480 -9.981 -3.929 489 HB3 GLU 66 HB2 GLU 66 0.937 -11.290 -2.877 490 HG2 GLU 66 HG3 GLU 66 3.271 -12.043 -2.559 491 HG3 GLU 66 HG2 GLU 66 3.854 -10.811 -3.656 492 H ARG 67 H ARG 67 -0.027 -10.317 -5.946 493 HA ARG 67 HA ARG 67 -2.501 -11.461 -5.334 494 HB2 ARG 67 HB3 ARG 67 -1.688 -9.775 -7.733 495 HB3 ARG 67 HB2 ARG 67 -3.371 -10.214 -7.407 496 HG2 ARG 67 HG3 ARG 67 -3.211 -9.109 -5.157 497 HG3 ARG 67 HG2 ARG 67 -1.560 -8.638 -5.530 498 HD2 ARG 67 HD3 ARG 67 -4.019 -7.800 -7.114 499 HD3 ARG 67 HD2 ARG 67 -3.147 -6.776 -5.966 500 HE ARG 67 HE ARG 67 -1.293 -7.719 -7.853 501 HH11 ARG 67 HH21 ARG 67 -4.104 -5.704 -7.711 502 HH12 ARG 67 HH22 ARG 67 -3.607 -4.676 -9.013 503 HH21 ARG 67 HH11 ARG 67 -0.637 -6.370 -9.576 504 HH22 ARG 67 HH12 ARG 67 -1.648 -5.053 -10.065 505 H GLU 68 H GLU 68 -0.411 -12.088 -8.159 506 HA GLU 68 HA GLU 68 -2.196 -13.798 -9.544 507 HB2 GLU 68 HB3 GLU 68 -0.080 -12.806 -10.473 508 HB3 GLU 68 HB2 GLU 68 0.861 -13.930 -9.492 509 HG2 GLU 68 HG3 GLU 68 -0.215 -15.861 -10.667 510 HG3 GLU 68 HG2 GLU 68 -1.179 -14.744 -11.626 511 H ASP 69 H ASP 69 0.693 -14.838 -7.695 512 HA ASP 69 HA ASP 69 0.059 -17.560 -7.504 513 HB2 ASP 69 HB3 ASP 69 1.616 -15.839 -5.522 514 HB3 ASP 69 HB2 ASP 69 1.650 -17.605 -5.557 515 H LEU 70 H LEU 70 -0.760 -14.919 -5.267 516 HA LEU 70 HA LEU 70 -1.946 -16.419 -3.254 517 HB2 LEU 70 HB3 LEU 70 -1.421 -14.014 -2.969 518 HB3 LEU 70 HB2 LEU 70 -2.657 -13.605 -4.152 519 HG LEU 70 HG LEU 70 -4.432 -14.520 -2.620 520 HD11 LEU 70 HD11 LEU 70 -3.389 -16.241 -1.359 521 HD12 LEU 70 HD12 LEU 70 -3.661 -14.985 -0.173 522 HD13 LEU 70 HD13 LEU 70 -2.049 -15.209 -0.853 523 HD21 LEU 70 HD21 LEU 70 -2.607 -12.482 -1.293 524 HD22 LEU 70 HD22 LEU 70 -4.306 -12.757 -0.897 525 HD23 LEU 70 HD23 LEU 70 -3.866 -12.136 -2.485 526 H ASP 71 H ASP 71 -3.233 -15.302 -6.327 527 HA ASP 71 HA ASP 71 -5.999 -15.907 -5.740 528 HB2 ASP 71 HB3 ASP 71 -5.286 -14.277 -7.504 529 HB3 ASP 71 HB2 ASP 71 -4.638 -15.600 -8.461 530 H LEU 72 H LEU 72 -3.540 -17.511 -7.816 531 HA LEU 72 HA LEU 72 -5.073 -19.864 -8.306 532 HB2 LEU 72 HB3 LEU 72 -2.051 -19.437 -8.405 533 HB3 LEU 72 HB2 LEU 72 -2.941 -20.728 -9.231 534 HG LEU 72 HG LEU 72 -3.218 -17.722 -9.795 535 HD11 LEU 72 HD11 LEU 72 -2.105 -18.236 -11.943 536 HD12 LEU 72 HD12 LEU 72 -1.934 -19.925 -11.465 537 HD13 LEU 72 HD13 LEU 72 -1.065 -18.663 -10.586 538 HD21 LEU 72 HD21 LEU 72 -4.511 -18.634 -11.883 539 HD22 LEU 72 HD22 LEU 72 -5.352 -18.649 -10.349 540 HD23 LEU 72 HD23 LEU 72 -4.661 -20.145 -10.980 541 H ASP 73 H ASP 73 -3.650 -18.791 -5.465 542 HA ASP 73 HA ASP 73 -2.491 -21.117 -4.372 543 HB2 ASP 73 HB3 ASP 73 -2.419 -18.814 -3.370 544 HB3 ASP 73 HB2 ASP 73 -4.089 -18.995 -2.859 545 H HIS 74 H HIS 74 -3.621 -23.004 -4.708 546 HA HIS 74 HA HIS 74 -6.453 -23.339 -4.416 547 HB2 HIS 74 HB3 HIS 74 -4.189 -25.395 -4.346 548 HB3 HIS 74 HB2 HIS 74 -5.903 -25.771 -4.551 549 HD2 HIS 74 HD2 HIS 74 -6.987 -25.007 -7.101 550 HE1 HIS 74 HE1 HIS 74 -3.255 -24.098 -8.852 551 HE2 HIS 74 HE2 HIS 74 -5.725 -24.465 -9.320 552 H SER 75 H SER 75 -3.750 -23.350 -2.226 553 HA SER 75 HA SER 75 -4.818 -24.846 -0.066 554 HB2 SER 75 HB3 SER 75 -2.429 -24.193 -0.206 555 HB3 SER 75 HB2 SER 75 -2.871 -22.504 0.032 556 HG SER 75 HG SER 75 -2.699 -23.021 2.071 557 H SER 76 H SER 76 -5.642 -21.759 -1.320 558 HA SER 76 HA SER 76 -6.570 -20.378 0.952 559 HB2 SER 76 HB3 SER 76 -7.645 -20.350 -1.894 560 HB3 SER 76 HB2 SER 76 -8.049 -19.155 -0.657 561 HG SER 76 HG SER 76 -6.146 -18.284 -0.887 562 H LEU 77 H LEU 77 -8.064 -22.879 -1.058 563 HA LEU 77 HA LEU 77 -10.658 -22.682 -0.034 564 HB2 LEU 77 HB3 LEU 77 -9.130 -24.841 -1.499 565 HB3 LEU 77 HB2 LEU 77 -10.704 -25.267 -0.829 566 HG LEU 77 HG LEU 77 -11.755 -23.383 -2.109 567 HD11 LEU 77 HD11 LEU 77 -8.912 -22.928 -3.113 568 HD12 LEU 77 HD12 LEU 77 -9.982 -21.786 -2.297 569 HD13 LEU 77 HD13 LEU 77 -10.337 -22.291 -3.939 570 HD21 LEU 77 HD21 LEU 77 -11.557 -24.399 -4.360 571 HD22 LEU 77 HD22 LEU 77 -11.682 -25.641 -3.118 572 HD23 LEU 77 HD23 LEU 77 -10.115 -25.280 -3.846 573 HA PRO 78 HA PRO 78 -10.685 -24.447 4.105 574 HB2 PRO 78 HB3 PRO 78 -12.597 -26.530 2.951 575 HB3 PRO 78 HB2 PRO 78 -12.730 -25.637 4.488 576 HG2 PRO 78 HG3 PRO 78 -14.161 -24.867 2.359 577 HG3 PRO 78 HG2 PRO 78 -13.415 -23.653 3.420 578 HD2 PRO 78 HD2 PRO 78 -12.569 -24.477 0.642 579 HD3 PRO 78 HD3 PRO 78 -12.373 -22.920 1.480
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