NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
614086 | 5u5s | 30206 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 24.016 11.095 -3.424 2 H2 GLY 1 HT2 GLY 1 25.231 10.686 -2.323 3 H3 GLY 1 HT3 GLY 1 23.634 10.205 -2.041 4 HA2 GLY 1 HA1 GLY 1 25.324 9.285 -4.293 5 HA3 GLY 1 HA2 GLY 1 24.987 8.359 -2.837 6 H LYS 2 HN LYS 2 24.364 7.299 -5.284 7 HA LYS 2 HA LYS 2 21.573 7.837 -5.849 8 HB2 LYS 2 HB2 LYS 2 23.427 5.753 -7.015 9 HB3 LYS 2 HB1 LYS 2 21.821 6.145 -7.609 10 HG2 LYS 2 HG2 LYS 2 24.184 8.008 -7.564 11 HG3 LYS 2 HG1 LYS 2 23.557 7.158 -8.976 12 HD2 LYS 2 HD2 LYS 2 21.443 8.359 -8.768 13 HD3 LYS 2 HD1 LYS 2 22.047 9.189 -7.333 14 HE2 LYS 2 HE2 LYS 2 22.214 10.607 -9.314 15 HE3 LYS 2 HE1 LYS 2 23.805 10.230 -8.657 16 HZ1 LYS 2 HZ1 LYS 2 22.524 9.008 -11.039 17 HZ2 LYS 2 HZ2 LYS 2 23.977 8.467 -10.365 18 HZ3 LYS 2 HZ3 LYS 2 23.877 10.023 -11.017 19 H LEU 3 HN LEU 3 20.580 7.251 -3.917 20 HA LEU 3 HA LEU 3 19.388 5.897 -2.555 21 HB2 LEU 3 HB2 LEU 3 20.072 3.869 -4.671 22 HB3 LEU 3 HB1 LEU 3 19.127 3.461 -3.251 23 HG LEU 3 HG LEU 3 18.317 5.596 -5.223 24 HD11 LEU 3 HD11 LEU 3 17.419 2.721 -5.035 25 HD12 LEU 3 HD12 LEU 3 18.399 3.417 -6.325 26 HD13 LEU 3 HD13 LEU 3 16.736 3.952 -6.096 27 HD21 LEU 3 HD21 LEU 3 17.379 5.774 -2.936 28 HD22 LEU 3 HD22 LEU 3 16.744 4.136 -3.101 29 HD23 LEU 3 HD23 LEU 3 16.155 5.420 -4.156 30 H SER 4 HN SER 4 20.404 5.833 -0.668 31 HA SER 4 HA SER 4 22.830 4.519 -0.132 32 HB2 SER 4 HB2 SER 4 20.592 5.135 1.816 33 HB3 SER 4 HB1 SER 4 22.297 4.902 2.203 34 HG SER 4 HG SER 4 22.687 6.760 0.796 35 H GLU 5 HN GLU 5 22.932 2.643 1.543 36 HA GLU 5 HA GLU 5 22.084 0.366 0.214 37 HB2 GLU 5 HB2 GLU 5 22.851 0.655 3.117 38 HB3 GLU 5 HB1 GLU 5 22.714 -0.877 2.264 39 HG2 GLU 5 HG2 GLU 5 24.645 1.347 1.672 40 HG3 GLU 5 HG1 GLU 5 25.024 -0.218 2.388 41 H GLN 6 HN GLN 6 20.645 1.894 3.065 42 HA GLN 6 HA GLN 6 18.593 0.031 3.516 43 HB2 GLN 6 HB2 GLN 6 18.833 2.978 4.129 44 HB3 GLN 6 HB1 GLN 6 17.416 2.048 4.590 45 HG2 GLN 6 HG2 GLN 6 19.168 2.409 6.371 46 HG3 GLN 6 HG1 GLN 6 18.625 0.750 6.125 47 HE21 GLN 6 HE21 GLN 6 20.053 -0.755 5.291 48 HE22 GLN 6 HE22 GLN 6 21.754 -0.461 5.191 49 H LEU 7 HN LEU 7 18.762 2.855 1.400 50 HA LEU 7 HA LEU 7 15.989 2.783 0.720 51 HB2 LEU 7 HB2 LEU 7 18.318 4.283 -0.461 52 HB3 LEU 7 HB1 LEU 7 16.679 4.454 -1.053 53 HG LEU 7 HG LEU 7 17.523 5.060 1.774 54 HD11 LEU 7 HD11 LEU 7 18.577 6.596 0.197 55 HD12 LEU 7 HD12 LEU 7 17.325 7.410 1.132 56 HD13 LEU 7 HD13 LEU 7 17.011 6.929 -0.536 57 HD21 LEU 7 HD21 LEU 7 15.236 4.555 1.796 58 HD22 LEU 7 HD22 LEU 7 14.956 5.366 0.255 59 HD23 LEU 7 HD23 LEU 7 15.312 6.314 1.699 60 H LYS 8 HN LYS 8 18.924 1.499 -0.669 61 HA LYS 8 HA LYS 8 17.829 0.684 -3.150 62 HB2 LYS 8 HB2 LYS 8 20.240 0.789 -2.772 63 HB3 LYS 8 HB1 LYS 8 20.114 -0.458 -1.546 64 HG2 LYS 8 HG2 LYS 8 20.983 -1.361 -3.624 65 HG3 LYS 8 HG1 LYS 8 19.418 -2.072 -3.229 66 HD2 LYS 8 HD2 LYS 8 19.590 -1.531 -5.611 67 HD3 LYS 8 HD1 LYS 8 18.326 -0.590 -4.821 68 HE2 LYS 8 HE2 LYS 8 19.653 0.776 -6.367 69 HE3 LYS 8 HE1 LYS 8 19.804 1.337 -4.703 70 HZ1 LYS 8 HZ1 LYS 8 21.939 1.303 -5.827 71 HZ2 LYS 8 HZ2 LYS 8 21.781 -0.349 -6.141 72 HZ3 LYS 8 HZ3 LYS 8 21.926 0.198 -4.549 73 H HIS 9 HN HIS 9 18.020 -0.830 0.027 74 HA HIS 9 HA HIS 9 16.953 -3.324 -0.757 75 HB2 HIS 9 HB2 HIS 9 18.041 -2.426 1.540 76 HB3 HIS 9 HB1 HIS 9 16.337 -2.323 1.966 77 HD1 HIS 9 HD1 HIS 9 19.085 -4.619 1.995 78 HD2 HIS 9 HD2 HIS 9 14.977 -4.945 1.421 79 HE1 HIS 9 HE1 HIS 9 18.533 -7.038 2.408 80 HE2 HIS 9 HE2 HIS 9 16.069 -7.240 1.919 81 H CYS 10 HN CYS 10 15.531 -0.247 0.149 82 HA CYS 10 HA CYS 10 12.849 -1.071 0.372 83 HB2 CYS 10 HB2 CYS 10 13.966 1.560 -0.608 84 HB3 CYS 10 HB1 CYS 10 12.296 1.284 -0.084 85 HG CYS 10 HG CYS 10 15.030 0.925 1.946 86 H ASN 11 HN ASN 11 14.775 0.034 -2.347 87 HA ASN 11 HA ASN 11 12.827 0.089 -4.328 88 HB2 ASN 11 HB2 ASN 11 15.131 0.968 -4.570 89 HB3 ASN 11 HB1 ASN 11 15.739 -0.681 -4.601 90 HD21 ASN 11 HD21 ASN 11 14.053 1.784 -6.334 91 HD22 ASN 11 HD22 ASN 11 14.097 1.015 -7.883 92 H GLY 12 HN GLY 12 14.755 -2.572 -3.074 93 HA2 GLY 12 HA2 GLY 12 13.890 -4.484 -5.017 94 HA3 GLY 12 HA1 GLY 12 14.720 -4.836 -3.508 95 H ILE 13 HN ILE 13 12.877 -3.750 -1.695 96 HA ILE 13 HA ILE 13 11.045 -5.892 -1.442 97 HB ILE 13 HB ILE 13 11.008 -3.205 -0.066 98 HG12 ILE 13 HG12 ILE 13 12.094 -5.851 0.914 99 HG13 ILE 13 HG11 ILE 13 13.097 -4.560 0.268 100 HG21 ILE 13 HG21 ILE 13 8.986 -5.041 -0.117 101 HG22 ILE 13 HG22 ILE 13 9.253 -3.859 1.163 102 HG23 ILE 13 HG23 ILE 13 9.871 -5.501 1.336 103 HD11 ILE 13 HD11 ILE 13 11.513 -4.627 2.803 104 HD12 ILE 13 HD12 ILE 13 12.124 -3.119 2.121 105 HD13 ILE 13 HD13 ILE 13 13.248 -4.394 2.596 106 H LEU 14 HN LEU 14 10.566 -2.470 -2.305 107 HA LEU 14 HA LEU 14 7.826 -2.510 -2.740 108 HB2 LEU 14 HB2 LEU 14 9.764 -0.628 -2.883 109 HB3 LEU 14 HB1 LEU 14 9.484 -0.901 -4.589 110 HG LEU 14 HG LEU 14 7.284 -0.232 -2.663 111 HD11 LEU 14 HD11 LEU 14 9.115 1.514 -4.259 112 HD12 LEU 14 HD12 LEU 14 8.706 1.626 -2.545 113 HD13 LEU 14 HD13 LEU 14 7.509 2.053 -3.768 114 HD21 LEU 14 HD21 LEU 14 6.712 -1.306 -4.864 115 HD22 LEU 14 HD22 LEU 14 7.439 0.099 -5.649 116 HD23 LEU 14 HD23 LEU 14 6.028 0.304 -4.616 117 H LYS 15 HN LYS 15 10.491 -3.250 -4.912 118 HA LYS 15 HA LYS 15 9.111 -3.577 -7.285 119 HB2 LYS 15 HB2 LYS 15 11.363 -3.499 -7.614 120 HB3 LYS 15 HB1 LYS 15 11.713 -4.377 -6.133 121 HG2 LYS 15 HG2 LYS 15 12.380 -5.839 -7.754 122 HG3 LYS 15 HG1 LYS 15 10.758 -6.391 -7.381 123 HD2 LYS 15 HD2 LYS 15 9.914 -5.088 -9.314 124 HD3 LYS 15 HD1 LYS 15 11.587 -4.698 -9.727 125 HE2 LYS 15 HE2 LYS 15 12.014 -7.179 -9.776 126 HE3 LYS 15 HE1 LYS 15 10.271 -7.399 -9.679 127 HZ1 LYS 15 HZ1 LYS 15 10.013 -6.168 -11.722 128 HZ2 LYS 15 HZ2 LYS 15 11.068 -7.464 -11.966 129 HZ3 LYS 15 HZ3 LYS 15 11.680 -5.896 -11.816 130 H GLU 16 HN GLU 16 9.666 -5.743 -4.617 131 HA GLU 16 HA GLU 16 8.805 -8.110 -5.938 132 HB2 GLU 16 HB2 GLU 16 10.231 -8.205 -3.931 133 HB3 GLU 16 HB1 GLU 16 8.908 -7.549 -2.966 134 HG2 GLU 16 HG2 GLU 16 7.797 -9.717 -4.281 135 HG3 GLU 16 HG1 GLU 16 9.402 -10.262 -3.809 136 H LEU 17 HN LEU 17 7.215 -5.978 -3.583 137 HA LEU 17 HA LEU 17 4.710 -7.262 -3.568 138 HB2 LEU 17 HB2 LEU 17 5.278 -4.316 -3.188 139 HB3 LEU 17 HB1 LEU 17 3.835 -5.158 -2.678 140 HG LEU 17 HG LEU 17 6.522 -5.942 -1.593 141 HD11 LEU 17 HD11 LEU 17 6.125 -3.484 -1.319 142 HD12 LEU 17 HD12 LEU 17 6.279 -4.384 0.188 143 HD13 LEU 17 HD13 LEU 17 4.686 -3.885 -0.383 144 HD21 LEU 17 HD21 LEU 17 4.636 -7.459 -1.170 145 HD22 LEU 17 HD22 LEU 17 3.712 -6.119 -0.500 146 HD23 LEU 17 HD23 LEU 17 5.170 -6.676 0.314 147 H LEU 18 HN LEU 18 6.232 -5.228 -5.893 148 HA LEU 18 HA LEU 18 3.778 -4.669 -7.349 149 HB2 LEU 18 HB2 LEU 18 6.657 -3.965 -7.837 150 HB3 LEU 18 HB1 LEU 18 5.377 -3.571 -8.960 151 HG LEU 18 HG LEU 18 5.574 -2.586 -6.120 152 HD11 LEU 18 HD11 LEU 18 7.255 -1.537 -7.393 153 HD12 LEU 18 HD12 LEU 18 5.917 -0.388 -7.302 154 HD13 LEU 18 HD13 LEU 18 6.182 -1.320 -8.776 155 HD21 LEU 18 HD21 LEU 18 3.596 -1.513 -6.374 156 HD22 LEU 18 HD22 LEU 18 3.264 -2.913 -7.387 157 HD23 LEU 18 HD23 LEU 18 3.747 -1.386 -8.123 158 H SER 19 HN SER 19 6.169 -7.068 -7.283 159 HA SER 19 HA SER 19 6.181 -7.810 -10.024 160 HB2 SER 19 HB2 SER 19 6.797 -9.467 -7.564 161 HB3 SER 19 HB1 SER 19 7.202 -9.908 -9.221 162 HG SER 19 HG SER 19 8.071 -7.439 -8.180 163 H LYS 20 HN LYS 20 5.102 -9.461 -11.074 164 HA LYS 20 HA LYS 20 2.365 -9.685 -10.619 165 HB2 LYS 20 HB2 LYS 20 3.625 -10.056 -12.782 166 HB3 LYS 20 HB1 LYS 20 3.995 -11.673 -12.189 167 HG2 LYS 20 HG2 LYS 20 2.103 -11.926 -13.560 168 HG3 LYS 20 HG1 LYS 20 1.504 -11.975 -11.900 169 HD2 LYS 20 HD2 LYS 20 0.829 -9.637 -12.054 170 HD3 LYS 20 HD1 LYS 20 1.439 -9.563 -13.708 171 HE2 LYS 20 HE2 LYS 20 -0.185 -11.256 -14.389 172 HE3 LYS 20 HE1 LYS 20 -0.785 -11.360 -12.734 173 HZ1 LYS 20 HZ1 LYS 20 -0.891 -8.932 -14.440 174 HZ2 LYS 20 HZ2 LYS 20 -1.504 -9.070 -12.874 175 HZ3 LYS 20 HZ3 LYS 20 -2.193 -9.966 -14.131 176 H LYS 21 HN LYS 21 4.958 -11.487 -9.298 177 HA LYS 21 HA LYS 21 3.795 -13.831 -8.440 178 HB2 LYS 21 HB2 LYS 21 6.118 -13.428 -8.058 179 HB3 LYS 21 HB1 LYS 21 5.782 -12.002 -7.100 180 HG2 LYS 21 HG2 LYS 21 4.813 -13.379 -5.353 181 HG3 LYS 21 HG1 LYS 21 5.111 -14.828 -6.304 182 HD2 LYS 21 HD2 LYS 21 7.563 -14.088 -6.303 183 HD3 LYS 21 HD1 LYS 21 7.082 -13.007 -4.990 184 HE2 LYS 21 HE2 LYS 21 7.852 -15.003 -3.966 185 HE3 LYS 21 HE1 LYS 21 6.092 -15.002 -3.859 186 HZ1 LYS 21 HZ1 LYS 21 7.660 -16.479 -5.894 187 HZ2 LYS 21 HZ2 LYS 21 5.977 -16.500 -5.718 188 HZ3 LYS 21 HZ3 LYS 21 6.961 -17.164 -4.512 189 H HIS 22 HN HIS 22 3.443 -10.575 -7.095 190 HA HIS 22 HA HIS 22 1.638 -11.690 -5.044 191 HB2 HIS 22 HB2 HIS 22 3.159 -9.058 -5.081 192 HB3 HIS 22 HB1 HIS 22 1.986 -9.507 -3.836 193 HD1 HIS 22 HD1 HIS 22 2.652 -11.684 -2.367 194 HD2 HIS 22 HD2 HIS 22 5.698 -9.966 -4.631 195 HE1 HIS 22 HE1 HIS 22 4.784 -12.554 -1.371 196 HE2 HIS 22 HE2 HIS 22 6.604 -11.268 -2.563 197 H ALA 23 HN ALA 23 1.727 -9.948 -7.915 198 HA ALA 23 HA ALA 23 -0.056 -7.898 -7.734 199 HB1 ALA 23 HB1 ALA 23 1.238 -8.510 -9.723 200 HB2 ALA 23 HB2 ALA 23 -0.451 -8.158 -10.089 201 HB3 ALA 23 HB3 ALA 23 0.110 -9.830 -10.031 202 H ALA 24 HN ALA 24 -0.831 -11.310 -7.905 203 HA ALA 24 HA ALA 24 -3.533 -11.224 -8.532 204 HB1 ALA 24 HB1 ALA 24 -1.880 -13.119 -6.902 205 HB2 ALA 24 HB2 ALA 24 -2.484 -13.315 -8.550 206 HB3 ALA 24 HB3 ALA 24 -3.599 -13.395 -7.185 207 H TYR 25 HN TYR 25 -1.942 -10.321 -5.598 208 HA TYR 25 HA TYR 25 -4.522 -9.558 -4.455 209 HB2 TYR 25 HB2 TYR 25 -3.598 -10.363 -2.176 210 HB3 TYR 25 HB1 TYR 25 -4.253 -11.563 -3.286 211 HD1 TYR 25 HD1 TYR 25 -1.047 -10.064 -2.143 212 HD2 TYR 25 HD2 TYR 25 -2.984 -13.399 -3.926 213 HE1 TYR 25 HE1 TYR 25 1.035 -11.356 -1.998 214 HE2 TYR 25 HE2 TYR 25 -0.897 -14.690 -3.803 215 HH TYR 25 HH TYR 25 1.442 -14.389 -3.605 216 H ALA 26 HN ALA 26 -1.984 -8.354 -5.678 217 HA ALA 26 HA ALA 26 -1.399 -6.448 -3.505 218 HB1 ALA 26 HB1 ALA 26 0.602 -7.682 -4.202 219 HB2 ALA 26 HB2 ALA 26 0.726 -5.979 -4.643 220 HB3 ALA 26 HB3 ALA 26 0.329 -7.179 -5.871 221 H TRP 27 HN TRP 27 -2.894 -6.825 -6.534 222 HA TRP 27 HA TRP 27 -2.269 -4.449 -7.808 223 HB2 TRP 27 HB2 TRP 27 -4.338 -4.727 -9.112 224 HB3 TRP 27 HB1 TRP 27 -3.411 -6.214 -8.993 225 HD1 TRP 27 HD1 TRP 27 -4.521 -8.256 -7.716 226 HE1 TRP 27 HE1 TRP 27 -6.934 -8.743 -6.973 227 HE3 TRP 27 HE3 TRP 27 -6.497 -3.551 -8.198 228 HZ2 TRP 27 HZ2 TRP 27 -9.352 -7.331 -6.652 229 HZ3 TRP 27 HZ3 TRP 27 -8.871 -3.218 -7.663 230 HH2 TRP 27 HH2 TRP 27 -10.267 -5.068 -6.902 231 HA PRO 28 HA PRO 28 -6.133 -2.442 -5.365 232 HB2 PRO 28 HB2 PRO 28 -5.476 -2.968 -2.651 233 HB3 PRO 28 HB1 PRO 28 -6.954 -3.425 -3.494 234 HG2 PRO 28 HG2 PRO 28 -4.607 -5.040 -2.801 235 HG3 PRO 28 HG1 PRO 28 -6.247 -5.561 -3.223 236 HD2 PRO 28 HD2 PRO 28 -4.075 -5.878 -4.864 237 HD3 PRO 28 HD1 PRO 28 -5.742 -5.764 -5.448 238 H PHE 29 HN PHE 29 -2.785 -2.932 -4.620 239 HA PHE 29 HA PHE 29 -2.646 -0.252 -3.389 240 HB2 PHE 29 HB2 PHE 29 -0.425 -2.224 -3.088 241 HB3 PHE 29 HB1 PHE 29 -0.952 -0.947 -1.992 242 HD1 PHE 29 HD1 PHE 29 -0.917 -4.400 -2.581 243 HD2 PHE 29 HD2 PHE 29 -3.346 -1.306 -0.953 244 HE1 PHE 29 HE1 PHE 29 -2.159 -6.065 -1.280 245 HE2 PHE 29 HE2 PHE 29 -4.596 -2.976 0.351 246 HZ PHE 29 HZ PHE 29 -4.002 -5.357 0.183 247 H TYR 30 HN TYR 30 -1.816 -1.967 -6.165 248 HA TYR 30 HA TYR 30 0.629 -0.874 -6.915 249 HB2 TYR 30 HB2 TYR 30 -1.773 -1.755 -8.483 250 HB3 TYR 30 HB1 TYR 30 -0.421 -0.996 -9.310 251 HD1 TYR 30 HD1 TYR 30 0.171 -3.051 -6.378 252 HD2 TYR 30 HD2 TYR 30 -0.021 -3.047 -10.617 253 HE1 TYR 30 HE1 TYR 30 1.341 -5.201 -6.420 254 HE2 TYR 30 HE2 TYR 30 1.140 -5.212 -10.675 255 HH TYR 30 HH TYR 30 2.728 -6.487 -9.145 256 H LYS 31 HN LYS 31 -2.618 0.432 -7.614 257 HA LYS 31 HA LYS 31 -1.445 3.124 -7.660 258 HB2 LYS 31 HB2 LYS 31 -3.304 1.876 -9.676 259 HB3 LYS 31 HB1 LYS 31 -3.117 3.618 -9.530 260 HG2 LYS 31 HG2 LYS 31 -0.785 3.461 -10.098 261 HG3 LYS 31 HG1 LYS 31 -0.868 1.702 -10.096 262 HD2 LYS 31 HD2 LYS 31 -2.332 3.549 -11.975 263 HD3 LYS 31 HD1 LYS 31 -0.912 2.582 -12.370 264 HE2 LYS 31 HE2 LYS 31 -3.653 1.569 -11.621 265 HE3 LYS 31 HE1 LYS 31 -2.877 1.463 -13.199 266 HZ1 LYS 31 HZ1 LYS 31 -1.141 0.073 -12.129 267 HZ2 LYS 31 HZ2 LYS 31 -2.676 -0.633 -12.125 268 HZ3 LYS 31 HZ3 LYS 31 -2.068 0.061 -10.712 269 HA PRO 32 HA PRO 32 -4.777 4.366 -5.024 270 HB2 PRO 32 HB2 PRO 32 -5.672 6.659 -6.294 271 HB3 PRO 32 HB1 PRO 32 -4.285 6.596 -5.203 272 HG2 PRO 32 HG2 PRO 32 -4.353 6.549 -8.188 273 HG3 PRO 32 HG1 PRO 32 -3.227 7.386 -7.104 274 HD2 PRO 32 HD2 PRO 32 -2.534 5.120 -8.342 275 HD3 PRO 32 HD1 PRO 32 -2.006 5.460 -6.682 276 H VAL 33 HN VAL 33 -6.954 4.110 -4.839 277 HA VAL 33 HA VAL 33 -8.220 2.533 -6.792 278 HB VAL 33 HB VAL 33 -9.912 2.220 -5.279 279 HG11 VAL 33 HG11 VAL 33 -7.836 1.694 -4.170 280 HG12 VAL 33 HG12 VAL 33 -9.030 2.270 -3.011 281 HG13 VAL 33 HG13 VAL 33 -7.731 3.337 -3.541 282 HG21 VAL 33 HG21 VAL 33 -11.161 4.055 -4.948 283 HG22 VAL 33 HG22 VAL 33 -9.757 5.121 -4.854 284 HG23 VAL 33 HG23 VAL 33 -10.239 4.173 -3.446 285 H ASP 34 HN ASP 34 -10.055 2.960 -8.077 286 HA ASP 34 HA ASP 34 -10.126 5.695 -9.083 287 HB2 ASP 34 HB2 ASP 34 -11.629 3.251 -10.077 288 HB3 ASP 34 HB1 ASP 34 -11.504 4.801 -10.897 289 H ALA 35 HN ALA 35 -10.995 6.361 -6.973 290 HA ALA 35 HA ALA 35 -13.192 5.268 -5.732 291 HB1 ALA 35 HB1 ALA 35 -13.010 6.935 -4.209 292 HB2 ALA 35 HB2 ALA 35 -12.754 8.182 -5.434 293 HB3 ALA 35 HB3 ALA 35 -11.439 7.088 -5.002 294 H SER 36 HN SER 36 -13.171 7.976 -8.037 295 HA SER 36 HA SER 36 -15.877 8.654 -7.763 296 HB2 SER 36 HB2 SER 36 -14.202 8.913 -10.270 297 HB3 SER 36 HB1 SER 36 -15.623 9.866 -9.839 298 HG SER 36 HG SER 36 -13.006 10.078 -8.969 299 H ALA 37 HN ALA 37 -14.269 6.402 -9.993 300 HA ALA 37 HA ALA 37 -16.668 5.607 -11.316 301 HB1 ALA 37 HB1 ALA 37 -13.952 4.290 -11.180 302 HB2 ALA 37 HB2 ALA 37 -14.532 5.392 -12.432 303 HB3 ALA 37 HB3 ALA 37 -15.265 3.798 -12.253 304 H LEU 38 HN LEU 38 -14.954 4.580 -8.476 305 HA LEU 38 HA LEU 38 -16.261 2.045 -8.206 306 HB2 LEU 38 HB2 LEU 38 -14.553 3.727 -6.393 307 HB3 LEU 38 HB1 LEU 38 -15.265 2.221 -5.853 308 HG LEU 38 HG LEU 38 -13.518 2.327 -8.297 309 HD11 LEU 38 HD11 LEU 38 -12.667 2.105 -5.411 310 HD12 LEU 38 HD12 LEU 38 -12.114 3.254 -6.628 311 HD13 LEU 38 HD13 LEU 38 -11.682 1.552 -6.762 312 HD21 LEU 38 HD21 LEU 38 -14.137 0.129 -6.327 313 HD22 LEU 38 HD22 LEU 38 -13.187 -0.017 -7.807 314 HD23 LEU 38 HD23 LEU 38 -14.912 0.333 -7.900 315 H GLY 39 HN GLY 39 -17.333 5.167 -7.797 316 HA2 GLY 39 HA2 GLY 39 -19.454 5.841 -7.068 317 HA3 GLY 39 HA1 GLY 39 -19.654 4.274 -6.291 318 H LEU 40 HN LEU 40 -16.686 5.488 -5.549 319 HA LEU 40 HA LEU 40 -17.536 6.007 -2.827 320 HB2 LEU 40 HB2 LEU 40 -14.700 5.882 -3.776 321 HB3 LEU 40 HB1 LEU 40 -15.355 5.479 -2.202 322 HG LEU 40 HG LEU 40 -15.648 3.868 -4.722 323 HD11 LEU 40 HD11 LEU 40 -13.473 3.695 -3.759 324 HD12 LEU 40 HD12 LEU 40 -14.359 2.202 -3.510 325 HD13 LEU 40 HD13 LEU 40 -14.155 3.337 -2.176 326 HD21 LEU 40 HD21 LEU 40 -16.864 3.487 -2.007 327 HD22 LEU 40 HD22 LEU 40 -16.686 2.176 -3.166 328 HD23 LEU 40 HD23 LEU 40 -17.680 3.576 -3.564 329 H HIS 41 HN HIS 41 -18.425 8.121 -3.633 330 HA HIS 41 HA HIS 41 -16.511 10.167 -4.275 331 HB2 HIS 41 HB2 HIS 41 -18.638 11.680 -3.854 332 HB3 HIS 41 HB1 HIS 41 -18.515 10.679 -5.296 333 HD1 HIS 41 HD1 HIS 41 -20.554 9.425 -5.797 334 HD2 HIS 41 HD2 HIS 41 -20.202 10.180 -1.719 335 HE1 HIS 41 HE1 HIS 41 -22.669 8.553 -4.758 336 HE2 HIS 41 HE2 HIS 41 -22.526 9.237 -2.342 337 H ASP 42 HN ASP 42 -16.877 8.672 -1.492 338 HA ASP 42 HA ASP 42 -16.391 11.105 0.091 339 HB2 ASP 42 HB2 ASP 42 -17.652 8.502 0.900 340 HB3 ASP 42 HB1 ASP 42 -17.003 9.625 2.086 341 H TYR 43 HN TYR 43 -14.541 9.460 -1.530 342 HA TYR 43 HA TYR 43 -13.057 7.791 0.261 343 HB2 TYR 43 HB2 TYR 43 -13.151 7.200 -2.065 344 HB3 TYR 43 HB1 TYR 43 -12.538 8.764 -2.557 345 HD1 TYR 43 HD1 TYR 43 -11.661 5.527 -1.099 346 HD2 TYR 43 HD2 TYR 43 -10.171 9.223 -2.554 347 HE1 TYR 43 HE1 TYR 43 -9.406 4.564 -1.189 348 HE2 TYR 43 HE2 TYR 43 -7.903 8.278 -2.646 349 HH TYR 43 HH TYR 43 -6.638 6.406 -1.518 350 H HIS 44 HN HIS 44 -12.700 11.069 -0.978 351 HA HIS 44 HA HIS 44 -10.014 11.322 0.026 352 HB2 HIS 44 HB2 HIS 44 -11.934 13.306 -1.184 353 HB3 HIS 44 HB1 HIS 44 -10.357 13.779 -0.564 354 HD1 HIS 44 HD1 HIS 44 -8.263 12.890 -1.855 355 HD2 HIS 44 HD2 HIS 44 -11.911 12.044 -3.657 356 HE1 HIS 44 HE1 HIS 44 -7.708 12.193 -4.207 357 HE2 HIS 44 HE2 HIS 44 -9.936 11.758 -5.304 358 H ASP 45 HN ASP 45 -13.098 11.567 1.378 359 HA ASP 45 HA ASP 45 -12.405 13.409 3.477 360 HB2 ASP 45 HB2 ASP 45 -14.766 11.634 2.939 361 HB3 ASP 45 HB1 ASP 45 -14.561 12.374 4.523 362 H ILE 46 HN ILE 46 -12.763 9.897 3.182 363 HA ILE 46 HA ILE 46 -12.041 9.465 5.927 364 HB ILE 46 HB ILE 46 -12.533 7.593 3.618 365 HG12 ILE 46 HG12 ILE 46 -14.293 6.754 5.164 366 HG13 ILE 46 HG11 ILE 46 -13.896 8.053 6.275 367 HG21 ILE 46 HG21 ILE 46 -10.914 6.342 4.691 368 HG22 ILE 46 HG22 ILE 46 -12.375 5.803 5.503 369 HG23 ILE 46 HG23 ILE 46 -11.315 6.979 6.279 370 HD11 ILE 46 HD11 ILE 46 -15.096 8.294 3.527 371 HD12 ILE 46 HD12 ILE 46 -14.487 9.664 4.454 372 HD13 ILE 46 HD13 ILE 46 -15.830 8.707 5.076 373 H ILE 47 HN ILE 47 -10.407 9.104 2.800 374 HA ILE 47 HA ILE 47 -7.994 8.168 4.112 375 HB ILE 47 HB ILE 47 -8.380 8.811 1.190 376 HG12 ILE 47 HG12 ILE 47 -9.966 7.066 2.089 377 HG13 ILE 47 HG11 ILE 47 -8.894 6.502 0.812 378 HG21 ILE 47 HG21 ILE 47 -6.487 7.063 1.077 379 HG22 ILE 47 HG22 ILE 47 -6.255 7.433 2.782 380 HG23 ILE 47 HG23 ILE 47 -6.093 8.705 1.574 381 HD11 ILE 47 HD11 ILE 47 -8.496 6.061 3.751 382 HD12 ILE 47 HD12 ILE 47 -7.483 5.434 2.452 383 HD13 ILE 47 HD13 ILE 47 -9.146 4.884 2.615 384 H LYS 48 HN LYS 48 -6.850 9.687 5.151 385 HA LYS 48 HA LYS 48 -6.616 12.370 4.056 386 HB2 LYS 48 HB2 LYS 48 -5.709 11.110 6.636 387 HB3 LYS 48 HB1 LYS 48 -5.273 12.748 6.174 388 HG2 LYS 48 HG2 LYS 48 -8.107 11.772 6.390 389 HG3 LYS 48 HG1 LYS 48 -7.241 12.584 7.696 390 HD2 LYS 48 HD2 LYS 48 -7.131 14.605 6.518 391 HD3 LYS 48 HD1 LYS 48 -7.473 13.824 4.976 392 HE2 LYS 48 HE2 LYS 48 -9.368 15.131 5.835 393 HE3 LYS 48 HE1 LYS 48 -9.726 13.425 5.598 394 HZ1 LYS 48 HZ1 LYS 48 -9.501 13.067 7.961 395 HZ2 LYS 48 HZ2 LYS 48 -10.630 14.294 7.682 396 HZ3 LYS 48 HZ3 LYS 48 -9.072 14.684 8.205 397 H HIS 49 HN HIS 49 -4.747 9.472 4.338 398 HA HIS 49 HA HIS 49 -2.562 10.799 2.873 399 HB2 HIS 49 HB2 HIS 49 -2.427 8.687 5.002 400 HB3 HIS 49 HB1 HIS 49 -1.137 8.859 3.817 401 HD1 HIS 49 HD1 HIS 49 0.411 10.892 4.032 402 HD2 HIS 49 HD2 HIS 49 -2.612 10.771 6.882 403 HE1 HIS 49 HE1 HIS 49 1.031 12.620 5.749 404 HE2 HIS 49 HE2 HIS 49 -0.878 12.623 7.388 405 HA PRO 50 HA PRO 50 -4.344 7.431 0.160 406 HB2 PRO 50 HB2 PRO 50 -4.358 8.978 -2.096 407 HB3 PRO 50 HB1 PRO 50 -5.741 8.827 -1.007 408 HG2 PRO 50 HG2 PRO 50 -3.692 10.995 -1.184 409 HG3 PRO 50 HG1 PRO 50 -5.444 11.122 -0.940 410 HD2 PRO 50 HD2 PRO 50 -3.691 11.359 1.108 411 HD3 PRO 50 HD1 PRO 50 -5.300 10.634 1.318 412 H MET 51 HN MET 51 -2.469 6.270 0.198 413 HA MET 51 HA MET 51 -0.368 7.166 -1.642 414 HB2 MET 51 HB2 MET 51 0.489 7.552 0.573 415 HB3 MET 51 HB1 MET 51 -0.004 5.952 1.115 416 HG2 MET 51 HG2 MET 51 2.428 6.141 0.719 417 HG3 MET 51 HG1 MET 51 1.664 4.923 -0.308 418 HE1 MET 51 HE1 MET 51 2.756 8.616 -0.112 419 HE2 MET 51 HE2 MET 51 1.286 8.815 -1.058 420 HE3 MET 51 HE3 MET 51 2.860 9.114 -1.796 421 H ASP 52 HN ASP 52 0.682 5.580 -2.769 422 HA ASP 52 HA ASP 52 -0.287 2.828 -2.557 423 HB2 ASP 52 HB2 ASP 52 -0.623 2.714 -5.001 424 HB3 ASP 52 HB1 ASP 52 -1.701 3.900 -4.267 425 H LEU 53 HN LEU 53 1.102 1.372 -4.005 426 HA LEU 53 HA LEU 53 3.772 1.772 -3.191 427 HB2 LEU 53 HB2 LEU 53 2.457 -0.215 -4.997 428 HB3 LEU 53 HB1 LEU 53 4.195 -0.211 -4.773 429 HG LEU 53 HG LEU 53 2.262 -0.393 -2.477 430 HD11 LEU 53 HD11 LEU 53 2.017 -2.235 -4.134 431 HD12 LEU 53 HD12 LEU 53 2.485 -2.755 -2.520 432 HD13 LEU 53 HD13 LEU 53 3.687 -2.678 -3.812 433 HD21 LEU 53 HD21 LEU 53 4.422 0.295 -1.787 434 HD22 LEU 53 HD22 LEU 53 5.204 -0.932 -2.777 435 HD23 LEU 53 HD23 LEU 53 4.254 -1.406 -1.368 436 H SER 54 HN SER 54 2.153 2.422 -6.233 437 HA SER 54 HA SER 54 4.486 2.828 -7.777 438 HB2 SER 54 HB2 SER 54 1.701 3.961 -8.107 439 HB3 SER 54 HB1 SER 54 2.986 4.091 -9.306 440 HG SER 54 HG SER 54 1.523 1.854 -8.474 441 H THR 55 HN THR 55 2.522 5.026 -5.789 442 HA THR 55 HA THR 55 4.097 7.335 -6.414 443 HB THR 55 HB THR 55 2.335 7.004 -3.987 444 HG1 THR 55 HG1 THR 55 0.847 6.722 -5.545 445 HG21 THR 55 HG21 THR 55 3.938 8.943 -4.215 446 HG22 THR 55 HG22 THR 55 2.243 9.364 -3.979 447 HG23 THR 55 HG23 THR 55 2.966 9.474 -5.585 448 H VAL 56 HN VAL 56 4.161 4.904 -3.850 449 HA VAL 56 HA VAL 56 6.107 6.086 -2.204 450 HB VAL 56 HB VAL 56 5.642 3.157 -2.793 451 HG11 VAL 56 HG11 VAL 56 7.892 3.563 -1.886 452 HG12 VAL 56 HG12 VAL 56 6.866 2.698 -0.739 453 HG13 VAL 56 HG13 VAL 56 7.177 4.420 -0.519 454 HG21 VAL 56 HG21 VAL 56 3.744 4.469 -1.792 455 HG22 VAL 56 HG22 VAL 56 4.779 4.763 -0.394 456 HG23 VAL 56 HG23 VAL 56 4.315 3.116 -0.814 457 H LYS 57 HN LYS 57 6.391 3.960 -4.994 458 HA LYS 57 HA LYS 57 9.216 3.946 -5.072 459 HB2 LYS 57 HB2 LYS 57 7.223 2.616 -6.415 460 HB3 LYS 57 HB1 LYS 57 7.886 3.661 -7.663 461 HG2 LYS 57 HG2 LYS 57 10.150 2.799 -7.062 462 HG3 LYS 57 HG1 LYS 57 9.360 1.634 -6.015 463 HD2 LYS 57 HD2 LYS 57 8.060 0.867 -8.031 464 HD3 LYS 57 HD1 LYS 57 9.156 1.860 -9.001 465 HE2 LYS 57 HE2 LYS 57 11.067 0.639 -8.000 466 HE3 LYS 57 HE1 LYS 57 9.914 -0.410 -7.170 467 HZ1 LYS 57 HZ1 LYS 57 10.135 -0.107 -10.122 468 HZ2 LYS 57 HZ2 LYS 57 9.108 -1.169 -9.302 469 HZ3 LYS 57 HZ3 LYS 57 10.782 -1.386 -9.228 470 H ARG 58 HN ARG 58 6.748 5.867 -6.683 471 HA ARG 58 HA ARG 58 8.270 7.436 -8.374 472 HB2 ARG 58 HB2 ARG 58 5.796 7.466 -8.171 473 HB3 ARG 58 HB1 ARG 58 5.956 8.350 -6.662 474 HG2 ARG 58 HG2 ARG 58 7.221 10.096 -8.005 475 HG3 ARG 58 HG1 ARG 58 6.598 9.279 -9.434 476 HD2 ARG 58 HD2 ARG 58 5.006 10.529 -7.207 477 HD3 ARG 58 HD1 ARG 58 5.143 11.110 -8.863 478 HE ARG 58 HE ARG 58 4.128 8.586 -9.111 479 HH11 ARG 58 HH11 ARG 58 3.182 11.478 -7.395 480 HH12 ARG 58 HH12 ARG 58 1.489 11.122 -7.460 481 HH21 ARG 58 HH21 ARG 58 1.900 8.104 -9.210 482 HH22 ARG 58 HH22 ARG 58 0.753 9.202 -8.508 483 H LYS 59 HN LYS 59 7.378 8.165 -5.027 484 HA LYS 59 HA LYS 59 8.939 10.487 -4.742 485 HB2 LYS 59 HB2 LYS 59 7.800 8.516 -2.779 486 HB3 LYS 59 HB1 LYS 59 8.643 9.977 -2.263 487 HG2 LYS 59 HG2 LYS 59 6.992 11.382 -3.232 488 HG3 LYS 59 HG1 LYS 59 6.234 10.025 -4.070 489 HD2 LYS 59 HD2 LYS 59 4.892 10.694 -2.156 490 HD3 LYS 59 HD1 LYS 59 5.549 9.079 -1.891 491 HE2 LYS 59 HE2 LYS 59 6.957 9.822 -0.142 492 HE3 LYS 59 HE1 LYS 59 7.007 11.469 -0.789 493 HZ1 LYS 59 HZ1 LYS 59 4.638 11.652 -0.098 494 HZ2 LYS 59 HZ2 LYS 59 5.711 11.426 1.187 495 HZ3 LYS 59 HZ3 LYS 59 4.774 10.130 0.636 496 H MET 60 HN MET 60 9.605 7.081 -3.994 497 HA MET 60 HA MET 60 12.192 7.375 -2.959 498 HB2 MET 60 HB2 MET 60 10.933 5.242 -2.917 499 HB3 MET 60 HB1 MET 60 11.150 5.092 -4.656 500 HG2 MET 60 HG2 MET 60 13.700 5.357 -3.976 501 HG3 MET 60 HG1 MET 60 13.098 4.708 -2.454 502 HE1 MET 60 HE1 MET 60 11.435 2.636 -2.460 503 HE2 MET 60 HE2 MET 60 11.439 1.366 -3.679 504 HE3 MET 60 HE3 MET 60 10.611 2.889 -3.994 505 H GLU 61 HN GLU 61 11.075 7.095 -6.307 506 HA GLU 61 HA GLU 61 13.619 6.964 -7.521 507 HB2 GLU 61 HB2 GLU 61 10.939 7.903 -8.547 508 HB3 GLU 61 HB1 GLU 61 12.364 7.811 -9.568 509 HG2 GLU 61 HG2 GLU 61 12.516 5.412 -9.141 510 HG3 GLU 61 HG1 GLU 61 11.098 5.508 -8.098 511 H ASN 62 HN ASN 62 11.644 9.619 -6.436 512 HA ASN 62 HA ASN 62 13.390 11.637 -7.559 513 HB2 ASN 62 HB2 ASN 62 11.014 11.759 -5.704 514 HB3 ASN 62 HB1 ASN 62 11.998 13.177 -6.043 515 HD21 ASN 62 HD21 ASN 62 11.358 10.707 -8.433 516 HD22 ASN 62 HD22 ASN 62 10.342 11.679 -9.437 517 H ARG 63 HN ARG 63 13.634 9.504 -5.151 518 HA ARG 63 HA ARG 63 14.995 9.170 -3.398 519 HB2 ARG 63 HB2 ARG 63 16.541 11.520 -4.494 520 HB3 ARG 63 HB1 ARG 63 17.163 10.233 -3.473 521 HG2 ARG 63 HG2 ARG 63 16.040 9.781 -6.227 522 HG3 ARG 63 HG1 ARG 63 17.751 10.037 -5.878 523 HD2 ARG 63 HD2 ARG 63 17.962 8.025 -4.748 524 HD3 ARG 63 HD1 ARG 63 16.230 7.882 -4.461 525 HE ARG 63 HE ARG 63 16.018 6.841 -6.484 526 HH11 ARG 63 HH11 ARG 63 19.091 8.534 -6.462 527 HH12 ARG 63 HH12 ARG 63 19.629 7.818 -7.947 528 HH21 ARG 63 HH21 ARG 63 16.739 5.901 -8.429 529 HH22 ARG 63 HH22 ARG 63 18.305 6.312 -9.054 530 H ASP 64 HN ASP 64 12.737 10.888 -3.043 531 HA ASP 64 HA ASP 64 13.462 12.996 -1.237 532 HB2 ASP 64 HB2 ASP 64 10.960 11.806 -2.253 533 HB3 ASP 64 HB1 ASP 64 10.858 12.526 -0.651 534 H TYR 65 HN TYR 65 13.194 9.638 -0.966 535 HA TYR 65 HA TYR 65 12.681 9.605 1.887 536 HB2 TYR 65 HB2 TYR 65 13.534 7.412 -0.024 537 HB3 TYR 65 HB1 TYR 65 13.205 7.165 1.685 538 HD1 TYR 65 HD1 TYR 65 11.532 5.483 1.170 539 HD2 TYR 65 HD2 TYR 65 11.112 9.464 -0.256 540 HE1 TYR 65 HE1 TYR 65 9.175 5.037 0.613 541 HE2 TYR 65 HE2 TYR 65 8.763 9.021 -0.791 542 HH TYR 65 HH TYR 65 7.050 6.448 0.359 543 H ARG 66 HN ARG 66 14.228 9.403 3.464 544 HA ARG 66 HA ARG 66 17.004 9.689 2.573 545 HB2 ARG 66 HB2 ARG 66 16.084 11.346 4.179 546 HB3 ARG 66 HB1 ARG 66 15.783 10.047 5.323 547 HG2 ARG 66 HG2 ARG 66 17.760 11.039 6.058 548 HG3 ARG 66 HG1 ARG 66 18.291 9.593 5.197 549 HD2 ARG 66 HD2 ARG 66 18.600 11.064 3.169 550 HD3 ARG 66 HD1 ARG 66 18.341 12.447 4.236 551 HE ARG 66 HE ARG 66 20.345 10.822 5.336 552 HH11 ARG 66 HH11 ARG 66 19.795 12.944 2.607 553 HH12 ARG 66 HH12 ARG 66 21.463 13.387 2.449 554 HH21 ARG 66 HH21 ARG 66 22.554 11.402 5.127 555 HH22 ARG 66 HH22 ARG 66 23.032 12.512 3.881 556 H ASP 67 HN ASP 67 14.871 7.538 4.308 557 HA ASP 67 HA ASP 67 16.964 5.534 4.351 558 HB2 ASP 67 HB2 ASP 67 16.447 5.036 6.764 559 HB3 ASP 67 HB1 ASP 67 17.254 6.566 6.485 560 H ALA 68 HN ALA 68 16.015 3.460 5.330 561 HA ALA 68 HA ALA 68 13.790 2.782 3.675 562 HB1 ALA 68 HB1 ALA 68 15.220 1.146 5.753 563 HB2 ALA 68 HB2 ALA 68 15.622 1.218 4.039 564 HB3 ALA 68 HB3 ALA 68 14.084 0.530 4.558 565 H GLN 69 HN GLN 69 14.155 3.940 6.849 566 HA GLN 69 HA GLN 69 11.795 2.749 7.938 567 HB2 GLN 69 HB2 GLN 69 13.610 3.657 9.364 568 HB3 GLN 69 HB1 GLN 69 13.206 5.275 8.807 569 HG2 GLN 69 HG2 GLN 69 12.150 5.090 10.872 570 HG3 GLN 69 HG1 GLN 69 10.882 4.820 9.676 571 HE21 GLN 69 HE21 GLN 69 9.594 3.718 11.113 572 HE22 GLN 69 HE22 GLN 69 9.963 2.115 11.648 573 H GLU 70 HN GLU 70 12.582 5.787 6.317 574 HA GLU 70 HA GLU 70 10.001 6.910 6.426 575 HB2 GLU 70 HB2 GLU 70 12.306 7.344 4.541 576 HB3 GLU 70 HB1 GLU 70 10.774 8.199 4.378 577 HG2 GLU 70 HG2 GLU 70 11.107 8.917 6.792 578 HG3 GLU 70 HG1 GLU 70 12.767 8.353 6.601 579 H PHE 71 HN PHE 71 11.558 4.705 4.202 580 HA PHE 71 HA PHE 71 9.452 4.557 2.339 581 HB2 PHE 71 HB2 PHE 71 11.392 3.555 1.537 582 HB3 PHE 71 HB1 PHE 71 11.724 2.734 3.057 583 HD1 PHE 71 HD1 PHE 71 9.651 2.674 0.001 584 HD2 PHE 71 HD2 PHE 71 10.848 0.578 3.504 585 HE1 PHE 71 HE1 PHE 71 8.627 0.608 -0.887 586 HE2 PHE 71 HE2 PHE 71 9.827 -1.475 2.635 587 HZ PHE 71 HZ PHE 71 8.719 -1.468 0.435 588 H ALA 72 HN ALA 72 10.270 2.476 5.108 589 HA ALA 72 HA ALA 72 8.075 0.818 5.051 590 HB1 ALA 72 HB1 ALA 72 9.686 1.842 7.386 591 HB2 ALA 72 HB2 ALA 72 9.871 0.313 6.525 592 HB3 ALA 72 HB3 ALA 72 8.451 0.589 7.533 593 H ALA 73 HN ALA 73 8.437 3.993 6.500 594 HA ALA 73 HA ALA 73 5.988 4.234 7.784 595 HB1 ALA 73 HB1 ALA 73 7.888 6.199 6.547 596 HB2 ALA 73 HB2 ALA 73 7.573 5.872 8.257 597 HB3 ALA 73 HB3 ALA 73 6.375 6.734 7.292 598 H ASP 74 HN ASP 74 6.870 5.089 4.436 599 HA ASP 74 HA ASP 74 4.301 6.116 3.806 600 HB2 ASP 74 HB2 ASP 74 6.858 5.657 2.412 601 HB3 ASP 74 HB1 ASP 74 5.430 5.648 1.399 602 H VAL 75 HN VAL 75 5.923 3.006 3.146 603 HA VAL 75 HA VAL 75 3.817 2.016 1.512 604 HB VAL 75 HB VAL 75 5.908 0.953 1.224 605 HG11 VAL 75 HG11 VAL 75 7.040 1.360 3.255 606 HG12 VAL 75 HG12 VAL 75 6.958 -0.393 3.069 607 HG13 VAL 75 HG13 VAL 75 5.858 0.428 4.176 608 HG21 VAL 75 HG21 VAL 75 5.420 -1.460 1.949 609 HG22 VAL 75 HG22 VAL 75 4.300 -0.669 0.835 610 HG23 VAL 75 HG23 VAL 75 3.890 -0.811 2.545 611 H ARG 76 HN ARG 76 4.517 1.717 4.982 612 HA ARG 76 HA ARG 76 2.334 -0.052 5.452 613 HB2 ARG 76 HB2 ARG 76 2.764 0.217 7.773 614 HB3 ARG 76 HB1 ARG 76 4.317 0.188 6.967 615 HG2 ARG 76 HG2 ARG 76 4.498 2.594 7.142 616 HG3 ARG 76 HG1 ARG 76 2.898 2.683 7.877 617 HD2 ARG 76 HD2 ARG 76 4.908 2.792 9.433 618 HD3 ARG 76 HD1 ARG 76 3.628 1.665 9.851 619 HE ARG 76 HE ARG 76 5.228 0.022 8.569 620 HH11 ARG 76 HH11 ARG 76 6.128 2.590 10.768 621 HH12 ARG 76 HH12 ARG 76 7.501 1.741 11.399 622 HH21 ARG 76 HH21 ARG 76 7.045 -1.093 9.387 623 HH22 ARG 76 HH22 ARG 76 8.037 -0.351 10.600 624 H LEU 77 HN LEU 77 2.685 3.424 5.296 625 HA LEU 77 HA LEU 77 0.219 4.152 6.448 626 HB2 LEU 77 HB2 LEU 77 2.354 5.440 5.121 627 HB3 LEU 77 HB1 LEU 77 0.896 5.861 4.246 628 HG LEU 77 HG LEU 77 1.447 6.345 7.169 629 HD11 LEU 77 HD11 LEU 77 1.198 8.115 4.773 630 HD12 LEU 77 HD12 LEU 77 2.582 7.930 5.846 631 HD13 LEU 77 HD13 LEU 77 1.114 8.720 6.425 632 HD21 LEU 77 HD21 LEU 77 -1.059 6.644 5.547 633 HD22 LEU 77 HD22 LEU 77 -0.770 7.598 7.002 634 HD23 LEU 77 HD23 LEU 77 -0.845 5.839 7.102 635 H MET 78 HN MET 78 1.130 3.034 3.260 636 HA MET 78 HA MET 78 -1.331 3.489 1.978 637 HB2 MET 78 HB2 MET 78 0.558 3.021 0.617 638 HB3 MET 78 HB1 MET 78 0.892 1.518 1.468 639 HG2 MET 78 HG2 MET 78 -1.721 1.771 0.080 640 HG3 MET 78 HG1 MET 78 -0.265 1.574 -0.907 641 HE1 MET 78 HE1 MET 78 1.664 -0.215 0.569 642 HE2 MET 78 HE2 MET 78 1.144 -0.616 -1.065 643 HE3 MET 78 HE3 MET 78 1.133 -1.853 0.186 644 H PHE 79 HN PHE 79 -0.076 0.506 3.523 645 HA PHE 79 HA PHE 79 -2.486 -0.923 3.361 646 HB2 PHE 79 HB2 PHE 79 -0.336 -1.132 5.484 647 HB3 PHE 79 HB1 PHE 79 -1.618 -2.308 5.218 648 HD1 PHE 79 HD1 PHE 79 -1.743 -3.031 2.586 649 HD2 PHE 79 HD2 PHE 79 1.710 -1.732 4.698 650 HE1 PHE 79 HE1 PHE 79 -0.316 -4.227 0.976 651 HE2 PHE 79 HE2 PHE 79 3.142 -2.913 3.097 652 HZ PHE 79 HZ PHE 79 2.155 -4.159 1.221 653 H SER 80 HN SER 80 -1.395 1.487 5.664 654 HA SER 80 HA SER 80 -3.346 1.028 7.642 655 HB2 SER 80 HB2 SER 80 -1.826 3.565 7.005 656 HB3 SER 80 HB1 SER 80 -2.741 3.269 8.483 657 HG SER 80 HG SER 80 -0.559 1.681 7.580 658 H ASN 81 HN ASN 81 -3.311 3.303 4.858 659 HA ASN 81 HA ASN 81 -5.785 4.455 5.602 660 HB2 ASN 81 HB2 ASN 81 -5.870 5.553 3.459 661 HB3 ASN 81 HB1 ASN 81 -4.219 5.606 4.056 662 HD21 ASN 81 HD21 ASN 81 -2.633 4.803 2.829 663 HD22 ASN 81 HD22 ASN 81 -2.875 4.013 1.307 664 H CYS 82 HN CYS 82 -4.954 1.618 3.745 665 HA CYS 82 HA CYS 82 -7.459 1.044 2.626 666 HB2 CYS 82 HB2 CYS 82 -5.451 -0.946 3.724 667 HB3 CYS 82 HB1 CYS 82 -6.729 -1.289 2.565 668 HG CYS 82 HG CYS 82 -4.025 0.732 1.979 669 H TYR 83 HN TYR 83 -6.142 0.242 5.845 670 HA TYR 83 HA TYR 83 -8.475 -1.183 6.666 671 HB2 TYR 83 HB2 TYR 83 -6.251 0.036 8.313 672 HB3 TYR 83 HB1 TYR 83 -7.555 -0.952 8.973 673 HD1 TYR 83 HD1 TYR 83 -7.696 -3.016 6.783 674 HD2 TYR 83 HD2 TYR 83 -4.344 -1.318 8.810 675 HE1 TYR 83 HE1 TYR 83 -6.405 -5.059 6.363 676 HE2 TYR 83 HE2 TYR 83 -3.065 -3.365 8.398 677 HH TYR 83 HH TYR 83 -3.596 -5.816 7.962 678 H LYS 84 HN LYS 84 -7.598 2.179 6.660 679 HA LYS 84 HA LYS 84 -9.457 3.113 8.572 680 HB2 LYS 84 HB2 LYS 84 -8.334 4.423 6.100 681 HB3 LYS 84 HB1 LYS 84 -9.395 5.244 7.222 682 HG2 LYS 84 HG2 LYS 84 -7.204 4.056 8.638 683 HG3 LYS 84 HG1 LYS 84 -6.616 5.084 7.329 684 HD2 LYS 84 HD2 LYS 84 -8.614 5.892 9.437 685 HD3 LYS 84 HD1 LYS 84 -6.911 6.350 9.409 686 HE2 LYS 84 HE2 LYS 84 -7.213 7.607 7.396 687 HE3 LYS 84 HE1 LYS 84 -8.861 7.008 7.194 688 HZ1 LYS 84 HZ1 LYS 84 -9.462 8.174 9.247 689 HZ2 LYS 84 HZ2 LYS 84 -8.873 9.236 8.072 690 HZ3 LYS 84 HZ3 LYS 84 -7.887 8.784 9.371 691 H TYR 85 HN TYR 85 -9.650 2.529 5.123 692 HA TYR 85 HA TYR 85 -12.267 3.682 4.917 693 HB2 TYR 85 HB2 TYR 85 -10.561 3.857 3.129 694 HB3 TYR 85 HB1 TYR 85 -10.704 2.125 2.845 695 HD1 TYR 85 HD1 TYR 85 -12.667 5.226 3.039 696 HD2 TYR 85 HD2 TYR 85 -12.387 1.372 1.270 697 HE1 TYR 85 HE1 TYR 85 -14.596 5.754 1.618 698 HE2 TYR 85 HE2 TYR 85 -14.313 1.882 -0.163 699 HH TYR 85 HH TYR 85 -15.560 5.047 -0.489 700 H ASN 86 HN ASN 86 -10.936 0.448 4.283 701 HA ASN 86 HA ASN 86 -13.617 -0.575 3.894 702 HB2 ASN 86 HB2 ASN 86 -10.952 -1.998 3.699 703 HB3 ASN 86 HB1 ASN 86 -12.511 -2.634 3.172 704 HD21 ASN 86 HD21 ASN 86 -9.962 -0.377 2.513 705 HD22 ASN 86 HD22 ASN 86 -10.444 0.010 0.899 706 HA PRO 87 HA PRO 87 -13.894 -2.131 8.079 707 HB2 PRO 87 HB2 PRO 87 -16.092 -3.701 7.610 708 HB3 PRO 87 HB1 PRO 87 -16.177 -1.968 7.933 709 HG2 PRO 87 HG2 PRO 87 -16.305 -3.420 5.329 710 HG3 PRO 87 HG1 PRO 87 -17.233 -2.012 5.879 711 HD2 PRO 87 HD2 PRO 87 -15.131 -1.802 4.191 712 HD3 PRO 87 HD1 PRO 87 -15.537 -0.539 5.371 713 HA PRO 88 HA PRO 88 -11.645 -5.835 8.167 714 HB2 PRO 88 HB2 PRO 88 -13.166 -7.354 9.947 715 HB3 PRO 88 HB1 PRO 88 -11.910 -6.195 10.381 716 HG2 PRO 88 HG2 PRO 88 -14.870 -5.851 10.307 717 HG3 PRO 88 HG1 PRO 88 -13.690 -5.193 11.455 718 HD2 PRO 88 HD2 PRO 88 -14.754 -3.654 9.558 719 HD3 PRO 88 HD1 PRO 88 -13.040 -3.495 10.002 720 H ASP 89 HN ASP 89 -14.999 -6.071 7.382 721 HA ASP 89 HA ASP 89 -14.602 -8.773 6.288 722 HB2 ASP 89 HB2 ASP 89 -16.618 -8.368 7.760 723 HB3 ASP 89 HB1 ASP 89 -17.231 -7.266 6.527 724 H HIS 90 HN HIS 90 -13.177 -7.570 4.705 725 HA HIS 90 HA HIS 90 -14.705 -7.187 2.286 726 HB2 HIS 90 HB2 HIS 90 -14.235 -4.887 3.651 727 HB3 HIS 90 HB1 HIS 90 -12.748 -5.001 2.728 728 HD1 HIS 90 HD1 HIS 90 -12.899 -4.821 0.152 729 HD2 HIS 90 HD2 HIS 90 -16.537 -4.211 2.063 730 HE1 HIS 90 HE1 HIS 90 -14.422 -3.855 -1.580 731 HE2 HIS 90 HE2 HIS 90 -16.658 -3.687 -0.449 732 H ASP 91 HN ASP 91 -13.344 -7.220 0.369 733 HA ASP 91 HA ASP 91 -11.260 -9.075 0.520 734 HB2 ASP 91 HB2 ASP 91 -12.124 -7.188 -1.658 735 HB3 ASP 91 HB1 ASP 91 -10.770 -8.288 -1.871 736 H VAL 92 HN VAL 92 -11.108 -5.542 0.348 737 HA VAL 92 HA VAL 92 -8.372 -5.488 -0.391 738 HB VAL 92 HB VAL 92 -9.253 -3.030 0.876 739 HG11 VAL 92 HG11 VAL 92 -7.361 -3.368 -0.733 740 HG12 VAL 92 HG12 VAL 92 -8.456 -2.048 -1.125 741 HG13 VAL 92 HG13 VAL 92 -8.567 -3.577 -1.995 742 HG21 VAL 92 HG21 VAL 92 -11.458 -3.805 0.221 743 HG22 VAL 92 HG22 VAL 92 -10.889 -4.107 -1.415 744 HG23 VAL 92 HG23 VAL 92 -10.954 -2.458 -0.791 745 H VAL 93 HN VAL 93 -9.954 -5.733 2.679 746 HA VAL 93 HA VAL 93 -7.601 -4.874 4.123 747 HB VAL 93 HB VAL 93 -8.758 -5.474 6.167 748 HG11 VAL 93 HG11 VAL 93 -10.707 -4.148 4.297 749 HG12 VAL 93 HG12 VAL 93 -9.313 -3.345 5.022 750 HG13 VAL 93 HG13 VAL 93 -10.611 -3.956 6.048 751 HG21 VAL 93 HG21 VAL 93 -10.953 -6.588 4.430 752 HG22 VAL 93 HG22 VAL 93 -10.978 -6.455 6.189 753 HG23 VAL 93 HG23 VAL 93 -9.830 -7.540 5.403 754 H ALA 94 HN ALA 94 -9.138 -7.889 3.176 755 HA ALA 94 HA ALA 94 -7.397 -9.610 4.602 756 HB1 ALA 94 HB1 ALA 94 -9.018 -10.145 2.114 757 HB2 ALA 94 HB2 ALA 94 -9.562 -10.365 3.777 758 HB3 ALA 94 HB3 ALA 94 -8.265 -11.370 3.133 759 H MET 95 HN MET 95 -7.358 -8.274 1.328 760 HA MET 95 HA MET 95 -4.955 -9.552 0.522 761 HB2 MET 95 HB2 MET 95 -6.287 -7.025 -0.478 762 HB3 MET 95 HB1 MET 95 -4.863 -7.740 -1.224 763 HG2 MET 95 HG2 MET 95 -6.212 -9.836 -1.568 764 HG3 MET 95 HG1 MET 95 -7.625 -8.930 -1.025 765 HE1 MET 95 HE1 MET 95 -8.222 -6.517 -2.190 766 HE2 MET 95 HE2 MET 95 -9.209 -7.848 -2.783 767 HE3 MET 95 HE3 MET 95 -8.543 -6.675 -3.915 768 H ALA 96 HN ALA 96 -5.661 -6.521 2.185 769 HA ALA 96 HA ALA 96 -3.039 -5.464 2.123 770 HB1 ALA 96 HB1 ALA 96 -4.772 -3.965 2.645 771 HB2 ALA 96 HB2 ALA 96 -3.819 -4.132 4.120 772 HB3 ALA 96 HB3 ALA 96 -5.359 -4.978 3.964 773 H ARG 97 HN ARG 97 -4.739 -7.534 4.447 774 HA ARG 97 HA ARG 97 -2.741 -7.621 6.408 775 HB2 ARG 97 HB2 ARG 97 -4.825 -9.667 5.656 776 HB3 ARG 97 HB1 ARG 97 -3.784 -9.814 7.066 777 HG2 ARG 97 HG2 ARG 97 -4.690 -7.649 7.881 778 HG3 ARG 97 HG1 ARG 97 -5.830 -7.674 6.534 779 HD2 ARG 97 HD2 ARG 97 -6.913 -8.530 8.501 780 HD3 ARG 97 HD1 ARG 97 -6.678 -9.848 7.354 781 HE ARG 97 HE ARG 97 -4.597 -9.558 9.344 782 HH11 ARG 97 HH11 ARG 97 -7.628 -11.094 8.510 783 HH12 ARG 97 HH12 ARG 97 -7.411 -12.406 9.621 784 HH21 ARG 97 HH21 ARG 97 -4.313 -11.267 10.808 785 HH22 ARG 97 HH22 ARG 97 -5.520 -12.509 10.932 786 H LYS 98 HN LYS 98 -3.296 -9.698 3.599 787 HA LYS 98 HA LYS 98 -1.203 -11.515 4.204 788 HB2 LYS 98 HB2 LYS 98 -3.124 -12.038 2.719 789 HB3 LYS 98 HB1 LYS 98 -2.461 -10.946 1.514 790 HG2 LYS 98 HG2 LYS 98 -0.434 -12.354 1.408 791 HG3 LYS 98 HG1 LYS 98 -1.180 -13.455 2.560 792 HD2 LYS 98 HD2 LYS 98 -2.962 -13.944 1.009 793 HD3 LYS 98 HD1 LYS 98 -2.326 -12.758 -0.134 794 HE2 LYS 98 HE2 LYS 98 -1.726 -15.088 -0.706 795 HE3 LYS 98 HE1 LYS 98 -0.335 -14.039 -0.452 796 HZ1 LYS 98 HZ1 LYS 98 -1.432 -16.000 1.490 797 HZ2 LYS 98 HZ2 LYS 98 -0.143 -14.952 1.805 798 HZ3 LYS 98 HZ3 LYS 98 0.012 -16.150 0.625 799 H LEU 99 HN LEU 99 -1.398 -8.869 1.817 800 HA LEU 99 HA LEU 99 1.281 -8.903 1.052 801 HB2 LEU 99 HB2 LEU 99 -0.939 -6.995 0.875 802 HB3 LEU 99 HB1 LEU 99 0.642 -6.275 0.869 803 HG LEU 99 HG LEU 99 -0.764 -7.627 -1.265 804 HD11 LEU 99 HD11 LEU 99 1.820 -6.130 -1.280 805 HD12 LEU 99 HD12 LEU 99 0.252 -5.335 -1.179 806 HD13 LEU 99 HD13 LEU 99 0.666 -6.298 -2.598 807 HD21 LEU 99 HD21 LEU 99 2.141 -8.349 -0.989 808 HD22 LEU 99 HD22 LEU 99 0.995 -8.880 -2.220 809 HD23 LEU 99 HD23 LEU 99 0.836 -9.467 -0.569 810 H GLN 100 HN GLN 100 -0.226 -7.521 3.901 811 HA GLN 100 HA GLN 100 2.006 -5.969 4.683 812 HB2 GLN 100 HB2 GLN 100 -0.189 -5.604 5.726 813 HB3 GLN 100 HB1 GLN 100 -0.176 -7.237 6.376 814 HG2 GLN 100 HG2 GLN 100 1.801 -6.618 7.751 815 HG3 GLN 100 HG1 GLN 100 1.628 -4.957 7.185 816 HE21 GLN 100 HE21 GLN 100 -1.291 -5.101 7.178 817 HE22 GLN 100 HE22 GLN 100 -1.761 -5.008 8.840 818 H ASP 101 HN ASP 101 1.124 -9.325 5.080 819 HA ASP 101 HA ASP 101 3.043 -10.051 7.003 820 HB2 ASP 101 HB2 ASP 101 1.098 -11.454 6.285 821 HB3 ASP 101 HB1 ASP 101 1.944 -11.785 4.779 822 H VAL 102 HN VAL 102 3.151 -10.386 3.442 823 HA VAL 102 HA VAL 102 5.782 -11.311 3.296 824 HB VAL 102 HB VAL 102 4.525 -11.553 1.320 825 HG11 VAL 102 HG11 VAL 102 3.713 -9.578 0.019 826 HG12 VAL 102 HG12 VAL 102 4.009 -8.610 1.460 827 HG13 VAL 102 HG13 VAL 102 2.843 -9.932 1.510 828 HG21 VAL 102 HG21 VAL 102 6.016 -9.364 0.136 829 HG22 VAL 102 HG22 VAL 102 6.174 -11.110 -0.107 830 HG23 VAL 102 HG23 VAL 102 6.989 -10.332 1.251 831 H PHE 103 HN PHE 103 4.621 -7.969 2.855 832 HA PHE 103 HA PHE 103 7.113 -6.762 2.578 833 HB2 PHE 103 HB2 PHE 103 5.437 -5.326 2.016 834 HB3 PHE 103 HB1 PHE 103 4.408 -5.796 3.363 835 HD1 PHE 103 HD1 PHE 103 7.705 -4.149 2.770 836 HD2 PHE 103 HD2 PHE 103 4.101 -4.211 5.057 837 HE1 PHE 103 HE1 PHE 103 8.455 -2.165 4.009 838 HE2 PHE 103 HE2 PHE 103 4.853 -2.228 6.286 839 HZ PHE 103 HZ PHE 103 7.029 -1.203 5.772 840 H GLU 104 HN GLU 104 5.419 -7.707 5.526 841 HA GLU 104 HA GLU 104 6.924 -6.196 7.338 842 HB2 GLU 104 HB2 GLU 104 4.851 -7.060 8.067 843 HB3 GLU 104 HB1 GLU 104 5.238 -8.683 7.516 844 HG2 GLU 104 HG2 GLU 104 5.358 -8.742 9.847 845 HG3 GLU 104 HG1 GLU 104 7.010 -8.724 9.239 846 H PHE 105 HN PHE 105 7.218 -9.544 6.171 847 HA PHE 105 HA PHE 105 9.581 -10.017 7.713 848 HB2 PHE 105 HB2 PHE 105 8.228 -11.607 5.543 849 HB3 PHE 105 HB1 PHE 105 9.704 -12.140 6.343 850 HD1 PHE 105 HD1 PHE 105 6.124 -11.845 6.574 851 HD2 PHE 105 HD2 PHE 105 9.672 -12.567 8.803 852 HE1 PHE 105 HE1 PHE 105 4.781 -12.792 8.401 853 HE2 PHE 105 HE2 PHE 105 8.339 -13.519 10.628 854 HZ PHE 105 HZ PHE 105 5.888 -13.630 10.432 855 H ARG 106 HN ARG 106 8.948 -8.758 4.532 856 HA ARG 106 HA ARG 106 11.549 -9.107 3.472 857 HB2 ARG 106 HB2 ARG 106 9.419 -7.037 2.919 858 HB3 ARG 106 HB1 ARG 106 10.935 -7.110 2.042 859 HG2 ARG 106 HG2 ARG 106 8.864 -9.287 2.132 860 HG3 ARG 106 HG1 ARG 106 9.118 -8.152 0.803 861 HD2 ARG 106 HD2 ARG 106 11.383 -9.018 0.503 862 HD3 ARG 106 HD1 ARG 106 11.134 -10.146 1.831 863 HE ARG 106 HE ARG 106 9.173 -10.399 -0.250 864 HH11 ARG 106 HH11 ARG 106 12.381 -11.370 0.770 865 HH12 ARG 106 HH12 ARG 106 12.411 -12.783 -0.233 866 HH21 ARG 106 HH21 ARG 106 9.202 -12.241 -1.556 867 HH22 ARG 106 HH22 ARG 106 10.593 -13.291 -1.559 868 H TYR 107 HN TYR 107 10.011 -6.452 5.246 869 HA TYR 107 HA TYR 107 12.404 -4.911 5.445 870 HB2 TYR 107 HB2 TYR 107 10.068 -3.988 5.660 871 HB3 TYR 107 HB1 TYR 107 9.981 -4.731 7.258 872 HD1 TYR 107 HD1 TYR 107 11.367 -1.983 5.299 873 HD2 TYR 107 HD2 TYR 107 11.378 -3.899 9.097 874 HE1 TYR 107 HE1 TYR 107 12.456 -0.019 6.287 875 HE2 TYR 107 HE2 TYR 107 12.459 -1.932 10.088 876 HH TYR 107 HH TYR 107 13.862 -0.046 9.365 877 H ALA 108 HN ALA 108 10.958 -7.460 7.348 878 HA ALA 108 HA ALA 108 12.516 -7.117 9.686 879 HB1 ALA 108 HB1 ALA 108 10.426 -8.451 9.578 880 HB2 ALA 108 HB2 ALA 108 11.772 -9.310 10.326 881 HB3 ALA 108 HB3 ALA 108 11.302 -9.681 8.668 882 H LYS 109 HN LYS 109 13.064 -8.832 6.657 883 HA LYS 109 HA LYS 109 15.504 -10.043 7.617 884 HB2 LYS 109 HB2 LYS 109 13.838 -10.342 5.304 885 HB3 LYS 109 HB1 LYS 109 15.481 -10.007 4.782 886 HG2 LYS 109 HG2 LYS 109 15.243 -12.366 4.924 887 HG3 LYS 109 HG1 LYS 109 16.270 -11.850 6.258 888 HD2 LYS 109 HD2 LYS 109 14.722 -13.490 7.071 889 HD3 LYS 109 HD1 LYS 109 14.269 -11.926 7.744 890 HE2 LYS 109 HE2 LYS 109 12.280 -13.078 7.025 891 HE3 LYS 109 HE1 LYS 109 12.563 -11.708 5.952 892 HZ1 LYS 109 HZ1 LYS 109 13.332 -14.510 5.344 893 HZ2 LYS 109 HZ2 LYS 109 13.458 -13.181 4.302 894 HZ3 LYS 109 HZ3 LYS 109 11.934 -13.750 4.769 895 H MET 110 HN MET 110 14.524 -7.149 6.015 896 HA MET 110 HA MET 110 17.032 -6.301 5.053 897 HB2 MET 110 HB2 MET 110 15.093 -5.186 4.229 898 HB3 MET 110 HB1 MET 110 14.535 -4.804 5.849 899 HG2 MET 110 HG2 MET 110 17.137 -3.687 4.959 900 HG3 MET 110 HG1 MET 110 15.657 -2.987 4.309 901 HE1 MET 110 HE1 MET 110 16.110 -0.590 5.350 902 HE2 MET 110 HE2 MET 110 17.681 -1.247 5.827 903 HE3 MET 110 HE3 MET 110 16.700 -0.368 7.001 904 HA PRO 111 HA PRO 111 18.721 -5.297 9.082 905 HB2 PRO 111 HB2 PRO 111 21.281 -5.036 8.316 906 HB3 PRO 111 HB1 PRO 111 20.512 -6.615 8.498 907 HG2 PRO 111 HG2 PRO 111 21.192 -5.120 6.031 908 HG3 PRO 111 HG1 PRO 111 21.113 -6.867 6.302 909 HD2 PRO 111 HD2 PRO 111 19.152 -5.256 5.071 910 HD3 PRO 111 HD1 PRO 111 18.964 -6.950 5.592 911 H ASP 112 HN ASP 112 19.301 -3.432 10.076 912 HA ASP 112 HA ASP 112 19.628 -1.044 8.396 913 HB2 ASP 112 HB2 ASP 112 17.307 -1.156 9.237 914 HB3 ASP 112 HB1 ASP 112 17.917 -1.248 10.886 915 H1 HIS 281 HT1 HIS 281 -13.327 2.440 9.166 916 H2 HIS 281 HT2 HIS 281 -14.560 1.838 8.178 917 H3 HIS 281 HT3 HIS 281 -13.960 0.898 9.446 918 HA HIS 281 HA HIS 281 -14.781 2.501 11.048 919 HB2 HIS 281 HB2 HIS 281 -15.582 3.893 8.529 920 HB3 HIS 281 HB1 HIS 281 -16.633 4.038 9.931 921 HD1 HIS 281 HD1 HIS 281 -16.093 5.889 11.455 922 HD2 HIS 281 HD2 HIS 281 -12.800 4.744 9.197 923 HE1 HIS 281 HE1 HIS 281 -14.280 7.530 12.026 924 HE2 HIS 281 HE2 HIS 281 -12.237 6.640 10.858 925 H ASN 282 HN ASN 282 -17.403 2.893 11.239 926 HA ASN 282 HA ASN 282 -18.468 0.354 11.524 927 HB2 ASN 282 HB2 ASN 282 -20.636 1.461 11.892 928 HB3 ASN 282 HB1 ASN 282 -19.334 2.269 12.753 929 HD21 ASN 282 HD21 ASN 282 -21.940 3.267 11.944 930 HD22 ASN 282 HD22 ASN 282 -21.646 4.653 10.951 931 H LEU 283 HN LEU 283 -18.968 2.660 8.869 932 HA LEU 283 HA LEU 283 -19.330 0.523 7.009 933 HB2 LEU 283 HB2 LEU 283 -21.580 0.594 8.013 934 HB3 LEU 283 HB1 LEU 283 -21.710 2.290 7.596 935 HG LEU 283 HG LEU 283 -21.582 1.682 5.195 936 HD11 LEU 283 HD11 LEU 283 -21.885 -0.672 4.559 937 HD12 LEU 283 HD12 LEU 283 -21.678 -1.141 6.246 938 HD13 LEU 283 HD13 LEU 283 -20.344 -0.391 5.369 939 HD21 LEU 283 HD21 LEU 283 -23.744 1.988 6.287 940 HD22 LEU 283 HD22 LEU 283 -23.760 0.284 6.742 941 HD23 LEU 283 HD23 LEU 283 -23.828 0.743 5.041 942 H LEU 284 HN LEU 284 -20.604 3.841 7.156 943 HA LEU 284 HA LEU 284 -20.466 5.577 5.712 944 HB2 LEU 284 HB2 LEU 284 -17.636 4.584 5.347 945 HB3 LEU 284 HB1 LEU 284 -18.231 6.151 4.834 946 HG LEU 284 HG LEU 284 -18.127 5.215 7.698 947 HD11 LEU 284 HD11 LEU 284 -15.893 5.480 6.769 948 HD12 LEU 284 HD12 LEU 284 -16.255 6.736 7.952 949 HD13 LEU 284 HD13 LEU 284 -16.311 7.105 6.230 950 HD21 LEU 284 HD21 LEU 284 -18.712 7.916 6.503 951 HD22 LEU 284 HD22 LEU 284 -18.552 7.567 8.223 952 HD23 LEU 284 HD23 LEU 284 -19.874 6.857 7.299 953 H ARG 285 HN ARG 285 -18.087 4.183 3.665 954 HA ARG 285 HA ARG 285 -20.090 3.011 1.898 955 HB2 ARG 285 HB2 ARG 285 -17.990 4.968 0.921 956 HB3 ARG 285 HB1 ARG 285 -19.169 4.123 -0.073 957 HG2 ARG 285 HG2 ARG 285 -20.955 5.316 1.269 958 HG3 ARG 285 HG1 ARG 285 -19.657 6.313 1.925 959 HD2 ARG 285 HD2 ARG 285 -20.662 7.469 0.088 960 HD3 ARG 285 HD1 ARG 285 -19.044 6.956 -0.375 961 HE ARG 285 HE ARG 285 -20.003 5.299 -1.789 962 HH11 ARG 285 HH11 ARG 285 -22.374 7.401 -0.291 963 HH12 ARG 285 HH12 ARG 285 -23.617 7.028 -1.439 964 HH21 ARG 285 HH21 ARG 285 -21.635 4.803 -3.301 965 HH22 ARG 285 HH22 ARG 285 -23.206 5.530 -3.144 966 H ILE 286 HN ILE 286 -19.324 1.224 0.804 967 HA ILE 286 HA ILE 286 -16.632 0.380 1.600 968 HB ILE 286 HB ILE 286 -17.310 -1.903 1.127 969 HG12 ILE 286 HG12 ILE 286 -19.987 -0.717 0.352 970 HG13 ILE 286 HG11 ILE 286 -18.836 -1.481 -0.736 971 HG21 ILE 286 HG21 ILE 286 -17.738 -1.049 3.348 972 HG22 ILE 286 HG22 ILE 286 -19.018 -2.168 2.878 973 HG23 ILE 286 HG23 ILE 286 -19.308 -0.429 2.836 974 HD11 ILE 286 HD11 ILE 286 -20.270 -2.847 1.514 975 HD12 ILE 286 HD12 ILE 286 -19.148 -3.602 0.385 976 HD13 ILE 286 HD13 ILE 286 -20.685 -2.960 -0.194 977 HH31 ALY 287 HH1 ALY 287 -6.821 1.387 -1.465 978 HH32 ALY 287 HH2 ALY 287 -6.828 2.254 0.073 979 HH33 ALY 287 HH3 ALY 287 -6.807 0.489 0.055 980 HZ ALY 287 HZ1 ALY 287 -8.802 0.458 -2.217 981 HE3 ALY 287 HE2 ALY 287 -11.174 1.751 -1.757 982 HE2 ALY 287 HE1 ALY 287 -11.197 0.346 -0.694 983 HD3 ALY 287 HD2 ALY 287 -10.977 -1.150 -2.545 984 HD2 ALY 287 HD1 ALY 287 -10.680 0.188 -3.658 985 HG3 ALY 287 HG2 ALY 287 -12.977 -0.727 -3.805 986 HG2 ALY 287 HG1 ALY 287 -12.923 0.986 -3.396 987 HB3 ALY 287 HB2 ALY 287 -13.144 0.330 -0.997 988 HB2 ALY 287 HB1 ALY 287 -13.414 -1.319 -1.534 989 HCA ALY 287 HA ALY 287 -15.132 0.969 -2.435 990 H ALY 287 HN ALY 287 -15.096 -0.095 0.142 991 H GLN 288 HN GLN 288 -15.644 0.139 -4.433 992 HA GLN 288 HA GLN 288 -17.301 -2.214 -4.440 993 HB2 GLN 288 HB2 GLN 288 -17.779 -0.108 -5.756 994 HB3 GLN 288 HB1 GLN 288 -16.464 -0.569 -6.828 995 HG2 GLN 288 HG2 GLN 288 -18.674 -1.194 -7.703 996 HG3 GLN 288 HG1 GLN 288 -17.618 -2.585 -7.459 997 HE21 GLN 288 HE21 GLN 288 -19.371 -3.994 -7.350 998 HE22 GLN 288 HE22 GLN 288 -20.404 -4.064 -5.965 999 H PHE 289 HN PHE 289 -15.205 -3.334 -3.673 1000 HA PHE 289 HA PHE 289 -13.787 -4.450 -6.002 1001 HB2 PHE 289 HB2 PHE 289 -13.004 -4.106 -3.124 1002 HB3 PHE 289 HB1 PHE 289 -12.258 -5.376 -4.082 1003 HD1 PHE 289 HD1 PHE 289 -13.121 -2.474 -5.989 1004 HD2 PHE 289 HD2 PHE 289 -10.147 -4.133 -3.436 1005 HE1 PHE 289 HE1 PHE 289 -11.477 -0.866 -6.863 1006 HE2 PHE 289 HE2 PHE 289 -8.504 -2.523 -4.299 1007 HZ PHE 289 HZ PHE 289 -9.164 -0.888 -6.018 1008 H LEU 290 HN LEU 290 -16.483 -5.126 -4.980 1009 HA LEU 290 HA LEU 290 -16.277 -7.717 -3.769 1010 HB2 LEU 290 HB2 LEU 290 -18.597 -6.283 -5.072 1011 HB3 LEU 290 HB1 LEU 290 -18.729 -7.866 -4.336 1012 HG LEU 290 HG LEU 290 -17.898 -6.744 -2.182 1013 HD11 LEU 290 HD11 LEU 290 -18.738 -4.287 -3.711 1014 HD12 LEU 290 HD12 LEU 290 -17.105 -4.666 -3.164 1015 HD13 LEU 290 HD13 LEU 290 -18.381 -4.358 -1.985 1016 HD21 LEU 290 HD21 LEU 290 -20.592 -6.036 -3.328 1017 HD22 LEU 290 HD22 LEU 290 -20.162 -5.993 -1.618 1018 HD23 LEU 290 HD23 LEU 290 -20.172 -7.528 -2.488 1019 H GLN 291 HN GLN 291 -15.346 -9.280 -4.894 1020 HA GLN 291 HA GLN 291 -14.708 -10.661 -6.567 1021 HB2 GLN 291 HB2 GLN 291 -17.106 -11.251 -6.529 1022 HB3 GLN 291 HB1 GLN 291 -17.426 -9.996 -7.716 1023 HG2 GLN 291 HG2 GLN 291 -16.138 -11.152 -9.374 1024 HG3 GLN 291 HG1 GLN 291 -15.609 -12.346 -8.191 1025 HE21 GLN 291 HE21 GLN 291 -18.249 -11.227 -10.155 1026 HE22 GLN 291 HE22 GLN 291 -19.256 -12.621 -9.953 1027 H SER 292 HN SER 292 -13.070 -9.139 -7.135 1028 HA SER 292 HA SER 292 -13.585 -7.790 -9.697 1029 HB2 SER 292 HB2 SER 292 -11.670 -6.998 -7.491 1030 HB3 SER 292 HB1 SER 292 -11.777 -6.202 -9.061 1031 HG SER 292 HG SER 292 -14.228 -6.303 -8.125 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 26.122 8.271 -2.917 2 H2 GLY 1 HT2 GLY 1 24.986 7.950 -1.709 3 H3 GLY 1 HT3 GLY 1 25.574 9.521 -1.920 4 HA2 GLY 1 HA1 GLY 1 23.352 9.313 -2.827 5 HA3 GLY 1 HA2 GLY 1 24.536 9.671 -4.076 6 H LYS 2 HN LYS 2 22.581 8.770 -5.289 7 HA LYS 2 HA LYS 2 21.615 7.147 -6.545 8 HB2 LYS 2 HB2 LYS 2 24.350 5.929 -6.182 9 HB3 LYS 2 HB1 LYS 2 23.131 5.288 -7.274 10 HG2 LYS 2 HG2 LYS 2 24.266 8.071 -7.430 11 HG3 LYS 2 HG1 LYS 2 24.817 6.699 -8.395 12 HD2 LYS 2 HD2 LYS 2 22.544 6.466 -9.317 13 HD3 LYS 2 HD1 LYS 2 22.042 7.882 -8.395 14 HE2 LYS 2 HE2 LYS 2 23.597 9.273 -9.614 15 HE3 LYS 2 HE1 LYS 2 24.221 7.867 -10.476 16 HZ1 LYS 2 HZ1 LYS 2 21.460 8.937 -10.657 17 HZ2 LYS 2 HZ2 LYS 2 22.019 7.556 -11.450 18 HZ3 LYS 2 HZ3 LYS 2 22.658 9.070 -11.842 19 H LEU 3 HN LEU 3 20.698 7.014 -4.061 20 HA LEU 3 HA LEU 3 19.507 5.699 -2.650 21 HB2 LEU 3 HB2 LEU 3 20.229 3.544 -4.636 22 HB3 LEU 3 HB1 LEU 3 19.206 3.270 -3.240 23 HG LEU 3 HG LEU 3 18.536 5.268 -5.395 24 HD11 LEU 3 HD11 LEU 3 17.624 2.404 -5.080 25 HD12 LEU 3 HD12 LEU 3 18.651 3.038 -6.368 26 HD13 LEU 3 HD13 LEU 3 16.976 3.570 -6.237 27 HD21 LEU 3 HD21 LEU 3 17.468 5.606 -3.192 28 HD22 LEU 3 HD22 LEU 3 16.843 3.959 -3.267 29 HD23 LEU 3 HD23 LEU 3 16.310 5.159 -4.443 30 H SER 4 HN SER 4 20.407 5.559 -0.714 31 HA SER 4 HA SER 4 22.877 4.221 -0.211 32 HB2 SER 4 HB2 SER 4 22.173 6.029 1.287 33 HB3 SER 4 HB1 SER 4 20.720 5.127 1.726 34 HG SER 4 HG SER 4 22.226 4.799 3.322 35 H GLU 5 HN GLU 5 22.828 2.410 1.610 36 HA GLU 5 HA GLU 5 21.889 0.113 0.358 37 HB2 GLU 5 HB2 GLU 5 22.540 0.517 3.281 38 HB3 GLU 5 HB1 GLU 5 22.375 -1.046 2.490 39 HG2 GLU 5 HG2 GLU 5 24.247 -0.470 1.010 40 HG3 GLU 5 HG1 GLU 5 24.429 1.060 1.866 41 H GLN 6 HN GLN 6 20.502 1.858 3.105 42 HA GLN 6 HA GLN 6 18.278 0.268 3.589 43 HB2 GLN 6 HB2 GLN 6 18.698 3.247 3.886 44 HB3 GLN 6 HB1 GLN 6 17.211 2.451 4.382 45 HG2 GLN 6 HG2 GLN 6 18.801 2.897 6.219 46 HG3 GLN 6 HG1 GLN 6 18.338 1.193 6.054 47 HE21 GLN 6 HE21 GLN 6 20.080 0.068 6.765 48 HE22 GLN 6 HE22 GLN 6 21.700 0.314 6.213 49 H LEU 7 HN LEU 7 18.660 2.963 1.307 50 HA LEU 7 HA LEU 7 15.927 2.824 0.470 51 HB2 LEU 7 HB2 LEU 7 18.283 4.335 -0.632 52 HB3 LEU 7 HB1 LEU 7 16.658 4.467 -1.279 53 HG LEU 7 HG LEU 7 17.468 5.172 1.534 54 HD11 LEU 7 HD11 LEU 7 18.384 6.725 -0.096 55 HD12 LEU 7 HD12 LEU 7 17.088 7.484 0.828 56 HD13 LEU 7 HD13 LEU 7 16.789 6.926 -0.819 57 HD21 LEU 7 HD21 LEU 7 15.225 4.558 1.688 58 HD22 LEU 7 HD22 LEU 7 14.846 5.208 0.093 59 HD23 LEU 7 HD23 LEU 7 15.166 6.302 1.437 60 H LYS 8 HN LYS 8 18.940 1.434 -0.638 61 HA LYS 8 HA LYS 8 17.909 0.516 -3.128 62 HB2 LYS 8 HB2 LYS 8 20.320 0.626 -2.734 63 HB3 LYS 8 HB1 LYS 8 20.171 -0.548 -1.436 64 HG2 LYS 8 HG2 LYS 8 21.045 -1.527 -3.516 65 HG3 LYS 8 HG1 LYS 8 19.533 -2.266 -2.988 66 HD2 LYS 8 HD2 LYS 8 19.446 -1.938 -5.366 67 HD3 LYS 8 HD1 LYS 8 18.321 -0.827 -4.596 68 HE2 LYS 8 HE2 LYS 8 19.483 0.343 -6.332 69 HE3 LYS 8 HE1 LYS 8 20.035 0.955 -4.774 70 HZ1 LYS 8 HZ1 LYS 8 21.844 0.566 -6.379 71 HZ2 LYS 8 HZ2 LYS 8 21.477 -1.085 -6.381 72 HZ3 LYS 8 HZ3 LYS 8 22.026 -0.342 -4.964 73 H HIS 9 HN HIS 9 18.021 -0.745 0.135 74 HA HIS 9 HA HIS 9 16.911 -3.275 -0.504 75 HB2 HIS 9 HB2 HIS 9 18.123 -2.339 1.686 76 HB3 HIS 9 HB1 HIS 9 16.455 -2.086 2.188 77 HD1 HIS 9 HD1 HIS 9 19.016 -4.494 2.438 78 HD2 HIS 9 HD2 HIS 9 14.929 -4.701 1.696 79 HE1 HIS 9 HE1 HIS 9 18.336 -6.844 3.024 80 HE2 HIS 9 HE2 HIS 9 15.896 -6.987 2.427 81 H CYS 10 HN CYS 10 15.531 -0.129 0.361 82 HA CYS 10 HA CYS 10 12.867 -1.088 0.605 83 HB2 CYS 10 HB2 CYS 10 12.152 1.166 0.707 84 HB3 CYS 10 HB1 CYS 10 13.730 1.137 1.498 85 HG CYS 10 HG CYS 10 14.531 1.860 -1.471 86 H ASN 11 HN ASN 11 14.860 -0.120 -2.066 87 HA ASN 11 HA ASN 11 12.826 0.187 -4.009 88 HB2 ASN 11 HB2 ASN 11 15.145 0.998 -4.319 89 HB3 ASN 11 HB1 ASN 11 15.708 -0.667 -4.360 90 HD21 ASN 11 HD21 ASN 11 14.026 1.830 -6.073 91 HD22 ASN 11 HD22 ASN 11 14.045 1.052 -7.620 92 H GLY 12 HN GLY 12 14.693 -2.576 -2.874 93 HA2 GLY 12 HA2 GLY 12 13.760 -4.370 -4.906 94 HA3 GLY 12 HA1 GLY 12 14.627 -4.815 -3.441 95 H ILE 13 HN ILE 13 12.838 -3.721 -1.568 96 HA ILE 13 HA ILE 13 10.986 -5.812 -1.265 97 HB ILE 13 HB ILE 13 11.020 -3.084 0.026 98 HG12 ILE 13 HG12 ILE 13 12.007 -5.745 1.061 99 HG13 ILE 13 HG11 ILE 13 13.055 -4.506 0.396 100 HG21 ILE 13 HG21 ILE 13 8.884 -4.706 0.032 101 HG22 ILE 13 HG22 ILE 13 9.318 -3.684 1.398 102 HG23 ILE 13 HG23 ILE 13 9.770 -5.387 1.393 103 HD11 ILE 13 HD11 ILE 13 11.429 -4.432 2.911 104 HD12 ILE 13 HD12 ILE 13 12.182 -2.995 2.220 105 HD13 ILE 13 HD13 ILE 13 13.182 -4.349 2.747 106 H LEU 14 HN LEU 14 10.483 -2.405 -2.188 107 HA LEU 14 HA LEU 14 7.763 -2.461 -2.702 108 HB2 LEU 14 HB2 LEU 14 9.708 -0.587 -2.867 109 HB3 LEU 14 HB1 LEU 14 9.475 -0.926 -4.568 110 HG LEU 14 HG LEU 14 7.221 -0.179 -2.737 111 HD11 LEU 14 HD11 LEU 14 9.096 1.520 -4.345 112 HD12 LEU 14 HD12 LEU 14 8.692 1.657 -2.633 113 HD13 LEU 14 HD13 LEU 14 7.495 2.078 -3.860 114 HD21 LEU 14 HD21 LEU 14 6.674 -1.301 -4.909 115 HD22 LEU 14 HD22 LEU 14 7.492 0.033 -5.730 116 HD23 LEU 14 HD23 LEU 14 6.053 0.347 -4.765 117 H LYS 15 HN LYS 15 10.476 -3.171 -4.833 118 HA LYS 15 HA LYS 15 9.166 -3.635 -7.205 119 HB2 LYS 15 HB2 LYS 15 11.347 -3.699 -7.674 120 HB3 LYS 15 HB1 LYS 15 11.759 -4.177 -6.035 121 HG2 LYS 15 HG2 LYS 15 12.512 -5.943 -7.292 122 HG3 LYS 15 HG1 LYS 15 10.943 -6.484 -6.738 123 HD2 LYS 15 HD2 LYS 15 9.945 -5.980 -8.858 124 HD3 LYS 15 HD1 LYS 15 11.452 -5.254 -9.433 125 HE2 LYS 15 HE2 LYS 15 12.474 -7.269 -9.723 126 HE3 LYS 15 HE1 LYS 15 11.557 -8.037 -8.432 127 HZ1 LYS 15 HZ1 LYS 15 10.935 -8.883 -10.611 128 HZ2 LYS 15 HZ2 LYS 15 10.487 -7.330 -11.110 129 HZ3 LYS 15 HZ3 LYS 15 9.631 -8.103 -9.870 130 H GLU 16 HN GLU 16 9.538 -5.742 -4.440 131 HA GLU 16 HA GLU 16 8.763 -8.067 -5.933 132 HB2 GLU 16 HB2 GLU 16 10.225 -8.298 -3.938 133 HB3 GLU 16 HB1 GLU 16 8.914 -7.725 -2.914 134 HG2 GLU 16 HG2 GLU 16 7.588 -9.731 -3.806 135 HG3 GLU 16 HG1 GLU 16 9.127 -10.339 -4.381 136 H LEU 17 HN LEU 17 7.160 -5.908 -3.654 137 HA LEU 17 HA LEU 17 4.668 -7.266 -3.596 138 HB2 LEU 17 HB2 LEU 17 5.212 -4.308 -3.251 139 HB3 LEU 17 HB1 LEU 17 3.757 -5.145 -2.759 140 HG LEU 17 HG LEU 17 6.431 -5.886 -1.605 141 HD11 LEU 17 HD11 LEU 17 5.968 -3.434 -1.353 142 HD12 LEU 17 HD12 LEU 17 6.115 -4.326 0.160 143 HD13 LEU 17 HD13 LEU 17 4.521 -3.868 -0.444 144 HD21 LEU 17 HD21 LEU 17 4.544 -7.432 -1.235 145 HD22 LEU 17 HD22 LEU 17 3.608 -6.107 -0.557 146 HD23 LEU 17 HD23 LEU 17 5.064 -6.662 0.259 147 H LEU 18 HN LEU 18 6.217 -5.272 -5.929 148 HA LEU 18 HA LEU 18 3.775 -4.734 -7.417 149 HB2 LEU 18 HB2 LEU 18 6.657 -4.015 -7.879 150 HB3 LEU 18 HB1 LEU 18 5.381 -3.629 -9.012 151 HG LEU 18 HG LEU 18 5.559 -2.639 -6.173 152 HD11 LEU 18 HD11 LEU 18 7.233 -1.581 -7.424 153 HD12 LEU 18 HD12 LEU 18 5.881 -0.445 -7.382 154 HD13 LEU 18 HD13 LEU 18 6.186 -1.402 -8.834 155 HD21 LEU 18 HD21 LEU 18 3.586 -1.538 -6.454 156 HD22 LEU 18 HD22 LEU 18 3.249 -2.980 -7.405 157 HD23 LEU 18 HD23 LEU 18 3.725 -1.486 -8.209 158 H SER 19 HN SER 19 6.201 -7.104 -7.306 159 HA SER 19 HA SER 19 6.219 -7.858 -10.048 160 HB2 SER 19 HB2 SER 19 6.978 -9.437 -7.577 161 HB3 SER 19 HB1 SER 19 7.334 -9.915 -9.238 162 HG SER 19 HG SER 19 8.172 -7.442 -8.120 163 H LYS 20 HN LYS 20 5.252 -9.629 -11.037 164 HA LYS 20 HA LYS 20 2.507 -9.779 -10.592 165 HB2 LYS 20 HB2 LYS 20 4.360 -11.380 -12.324 166 HB3 LYS 20 HB1 LYS 20 2.627 -11.686 -12.284 167 HG2 LYS 20 HG2 LYS 20 3.783 -8.982 -12.862 168 HG3 LYS 20 HG1 LYS 20 3.444 -10.168 -14.126 169 HD2 LYS 20 HD2 LYS 20 1.084 -10.226 -13.343 170 HD3 LYS 20 HD1 LYS 20 1.470 -8.944 -12.200 171 HE2 LYS 20 HE2 LYS 20 0.419 -8.033 -14.195 172 HE3 LYS 20 HE1 LYS 20 2.082 -7.469 -14.051 173 HZ1 LYS 20 HZ1 LYS 20 2.767 -9.024 -15.705 174 HZ2 LYS 20 HZ2 LYS 20 1.453 -8.166 -16.321 175 HZ3 LYS 20 HZ3 LYS 20 1.240 -9.744 -15.760 176 H LYS 21 HN LYS 21 5.010 -11.579 -9.152 177 HA LYS 21 HA LYS 21 3.726 -13.954 -8.464 178 HB2 LYS 21 HB2 LYS 21 6.058 -13.705 -7.999 179 HB3 LYS 21 HB1 LYS 21 5.776 -12.296 -7.000 180 HG2 LYS 21 HG2 LYS 21 4.629 -13.691 -5.355 181 HG3 LYS 21 HG1 LYS 21 4.941 -15.116 -6.338 182 HD2 LYS 21 HD2 LYS 21 7.398 -14.528 -6.156 183 HD3 LYS 21 HD1 LYS 21 6.917 -13.379 -4.902 184 HE2 LYS 21 HE2 LYS 21 7.473 -15.342 -3.733 185 HE3 LYS 21 HE1 LYS 21 5.711 -15.316 -3.814 186 HZ1 LYS 21 HZ1 LYS 21 6.713 -17.509 -4.310 187 HZ2 LYS 21 HZ2 LYS 21 7.407 -16.846 -5.699 188 HZ3 LYS 21 HZ3 LYS 21 5.725 -16.914 -5.546 189 H HIS 22 HN HIS 22 3.483 -10.724 -7.067 190 HA HIS 22 HA HIS 22 1.614 -11.788 -5.050 191 HB2 HIS 22 HB2 HIS 22 3.152 -9.166 -5.058 192 HB3 HIS 22 HB1 HIS 22 2.003 -9.661 -3.805 193 HD1 HIS 22 HD1 HIS 22 2.749 -11.653 -2.230 194 HD2 HIS 22 HD2 HIS 22 5.666 -10.264 -4.853 195 HE1 HIS 22 HE1 HIS 22 4.909 -12.595 -1.366 196 HE2 HIS 22 HE2 HIS 22 6.681 -11.471 -2.778 197 H ALA 23 HN ALA 23 1.806 -10.021 -7.907 198 HA ALA 23 HA ALA 23 0.047 -7.950 -7.747 199 HB1 ALA 23 HB1 ALA 23 1.381 -8.529 -9.700 200 HB2 ALA 23 HB2 ALA 23 -0.301 -8.196 -10.120 201 HB3 ALA 23 HB3 ALA 23 0.280 -9.862 -10.055 202 H ALA 24 HN ALA 24 -0.772 -11.344 -7.922 203 HA ALA 24 HA ALA 24 -3.454 -11.226 -8.617 204 HB1 ALA 24 HB1 ALA 24 -1.922 -13.125 -6.863 205 HB2 ALA 24 HB2 ALA 24 -2.384 -13.329 -8.554 206 HB3 ALA 24 HB3 ALA 24 -3.614 -13.376 -7.291 207 H TYR 25 HN TYR 25 -1.906 -10.471 -5.581 208 HA TYR 25 HA TYR 25 -4.503 -9.600 -4.534 209 HB2 TYR 25 HB2 TYR 25 -3.623 -10.387 -2.226 210 HB3 TYR 25 HB1 TYR 25 -4.283 -11.587 -3.334 211 HD1 TYR 25 HD1 TYR 25 -1.056 -10.128 -2.178 212 HD2 TYR 25 HD2 TYR 25 -3.050 -13.457 -3.915 213 HE1 TYR 25 HE1 TYR 25 1.005 -11.459 -1.993 214 HE2 TYR 25 HE2 TYR 25 -0.991 -14.790 -3.746 215 HH TYR 25 HH TYR 25 1.381 -14.493 -3.558 216 H ALA 26 HN ALA 26 -1.971 -8.408 -5.730 217 HA ALA 26 HA ALA 26 -1.395 -6.500 -3.558 218 HB1 ALA 26 HB1 ALA 26 0.598 -7.736 -4.306 219 HB2 ALA 26 HB2 ALA 26 0.719 -6.015 -4.677 220 HB3 ALA 26 HB3 ALA 26 0.318 -7.163 -5.952 221 H TRP 27 HN TRP 27 -2.895 -6.883 -6.585 222 HA TRP 27 HA TRP 27 -2.362 -4.488 -7.848 223 HB2 TRP 27 HB2 TRP 27 -4.527 -4.773 -9.051 224 HB3 TRP 27 HB1 TRP 27 -3.488 -6.186 -9.078 225 HD1 TRP 27 HD1 TRP 27 -4.395 -8.396 -7.955 226 HE1 TRP 27 HE1 TRP 27 -6.717 -9.116 -7.118 227 HE3 TRP 27 HE3 TRP 27 -6.692 -3.814 -7.857 228 HZ2 TRP 27 HZ2 TRP 27 -9.188 -7.912 -6.504 229 HZ3 TRP 27 HZ3 TRP 27 -9.039 -3.697 -7.140 230 HH2 TRP 27 HH2 TRP 27 -10.260 -5.703 -6.474 231 HA PRO 28 HA PRO 28 -6.186 -2.541 -5.326 232 HB2 PRO 28 HB2 PRO 28 -5.480 -3.052 -2.623 233 HB3 PRO 28 HB1 PRO 28 -6.961 -3.540 -3.444 234 HG2 PRO 28 HG2 PRO 28 -4.561 -5.103 -2.794 235 HG3 PRO 28 HG1 PRO 28 -6.202 -5.661 -3.169 236 HD2 PRO 28 HD2 PRO 28 -4.070 -5.946 -4.863 237 HD3 PRO 28 HD1 PRO 28 -5.751 -5.856 -5.409 238 H PHE 29 HN PHE 29 -2.814 -2.990 -4.569 239 HA PHE 29 HA PHE 29 -2.716 -0.291 -3.378 240 HB2 PHE 29 HB2 PHE 29 -0.473 -2.235 -3.055 241 HB3 PHE 29 HB1 PHE 29 -1.009 -0.949 -1.974 242 HD1 PHE 29 HD1 PHE 29 -0.968 -4.411 -2.544 243 HD2 PHE 29 HD2 PHE 29 -3.386 -1.307 -0.917 244 HE1 PHE 29 HE1 PHE 29 -2.209 -6.070 -1.234 245 HE2 PHE 29 HE2 PHE 29 -4.634 -2.970 0.400 246 HZ PHE 29 HZ PHE 29 -4.044 -5.354 0.235 247 H TYR 30 HN TYR 30 -1.864 -2.014 -6.138 248 HA TYR 30 HA TYR 30 0.569 -0.920 -6.907 249 HB2 TYR 30 HB2 TYR 30 -1.850 -1.796 -8.453 250 HB3 TYR 30 HB1 TYR 30 -0.520 -1.014 -9.296 251 HD1 TYR 30 HD1 TYR 30 0.143 -3.089 -6.388 252 HD2 TYR 30 HD2 TYR 30 -0.101 -3.052 -10.625 253 HE1 TYR 30 HE1 TYR 30 1.350 -5.218 -6.466 254 HE2 TYR 30 HE2 TYR 30 1.097 -5.193 -10.718 255 HH TYR 30 HH TYR 30 2.742 -6.439 -9.201 256 H LYS 31 HN LYS 31 -2.672 0.404 -7.600 257 HA LYS 31 HA LYS 31 -1.464 3.072 -7.767 258 HB2 LYS 31 HB2 LYS 31 -3.215 1.694 -9.780 259 HB3 LYS 31 HB1 LYS 31 -3.234 3.449 -9.647 260 HG2 LYS 31 HG2 LYS 31 -0.823 3.498 -10.080 261 HG3 LYS 31 HG1 LYS 31 -0.825 1.742 -10.237 262 HD2 LYS 31 HD2 LYS 31 -2.335 1.896 -12.138 263 HD3 LYS 31 HD1 LYS 31 -2.406 3.650 -11.955 264 HE2 LYS 31 HE2 LYS 31 -0.875 3.000 -13.745 265 HE3 LYS 31 HE1 LYS 31 -0.027 3.814 -12.434 266 HZ1 LYS 31 HZ1 LYS 31 -0.132 0.877 -12.853 267 HZ2 LYS 31 HZ2 LYS 31 0.700 1.667 -11.613 268 HZ3 LYS 31 HZ3 LYS 31 1.183 1.875 -13.219 269 HA PRO 32 HA PRO 32 -4.777 4.649 -5.267 270 HB2 PRO 32 HB2 PRO 32 -5.813 6.637 -6.938 271 HB3 PRO 32 HB1 PRO 32 -4.477 6.845 -5.805 272 HG2 PRO 32 HG2 PRO 32 -4.410 6.313 -8.740 273 HG3 PRO 32 HG1 PRO 32 -3.366 7.365 -7.766 274 HD2 PRO 32 HD2 PRO 32 -2.500 4.994 -8.602 275 HD3 PRO 32 HD1 PRO 32 -2.105 5.573 -6.970 276 H VAL 33 HN VAL 33 -6.934 4.320 -4.947 277 HA VAL 33 HA VAL 33 -8.266 2.560 -6.721 278 HB VAL 33 HB VAL 33 -9.840 2.281 -5.094 279 HG11 VAL 33 HG11 VAL 33 -7.695 1.914 -4.058 280 HG12 VAL 33 HG12 VAL 33 -8.861 2.509 -2.880 281 HG13 VAL 33 HG13 VAL 33 -7.636 3.596 -3.533 282 HG21 VAL 33 HG21 VAL 33 -11.149 4.089 -4.842 283 HG22 VAL 33 HG22 VAL 33 -9.784 5.211 -4.850 284 HG23 VAL 33 HG23 VAL 33 -10.187 4.324 -3.379 285 H ASP 34 HN ASP 34 -10.151 2.915 -7.940 286 HA ASP 34 HA ASP 34 -10.267 5.594 -9.077 287 HB2 ASP 34 HB2 ASP 34 -11.757 3.077 -9.895 288 HB3 ASP 34 HB1 ASP 34 -11.733 4.594 -10.785 289 H ALA 35 HN ALA 35 -11.098 6.351 -6.953 290 HA ALA 35 HA ALA 35 -13.386 5.363 -5.728 291 HB1 ALA 35 HB1 ALA 35 -12.956 6.894 -4.163 292 HB2 ALA 35 HB2 ALA 35 -12.982 8.221 -5.327 293 HB3 ALA 35 HB3 ALA 35 -11.520 7.257 -5.126 294 H SER 36 HN SER 36 -13.106 7.733 -8.306 295 HA SER 36 HA SER 36 -15.765 8.700 -8.147 296 HB2 SER 36 HB2 SER 36 -13.969 8.580 -10.578 297 HB3 SER 36 HB1 SER 36 -15.358 9.641 -10.349 298 HG SER 36 HG SER 36 -14.154 10.440 -8.445 299 H ALA 37 HN ALA 37 -14.255 6.049 -9.917 300 HA ALA 37 HA ALA 37 -16.712 5.316 -11.252 301 HB1 ALA 37 HB1 ALA 37 -14.032 3.941 -11.113 302 HB2 ALA 37 HB2 ALA 37 -14.600 5.006 -12.399 303 HB3 ALA 37 HB3 ALA 37 -15.376 3.444 -12.141 304 H LEU 38 HN LEU 38 -15.045 4.546 -8.354 305 HA LEU 38 HA LEU 38 -16.359 2.025 -7.883 306 HB2 LEU 38 HB2 LEU 38 -14.563 3.779 -6.225 307 HB3 LEU 38 HB1 LEU 38 -15.267 2.302 -5.599 308 HG LEU 38 HG LEU 38 -13.586 2.310 -8.093 309 HD11 LEU 38 HD11 LEU 38 -12.684 2.140 -5.224 310 HD12 LEU 38 HD12 LEU 38 -12.129 3.244 -6.480 311 HD13 LEU 38 HD13 LEU 38 -11.733 1.530 -6.578 312 HD21 LEU 38 HD21 LEU 38 -14.206 0.165 -6.073 313 HD22 LEU 38 HD22 LEU 38 -13.286 -0.029 -7.565 314 HD23 LEU 38 HD23 LEU 38 -15.007 0.351 -7.634 315 H GLY 39 HN GLY 39 -17.386 5.169 -7.700 316 HA2 GLY 39 HA2 GLY 39 -19.424 5.974 -6.938 317 HA3 GLY 39 HA1 GLY 39 -19.708 4.427 -6.156 318 H LEU 40 HN LEU 40 -16.709 5.441 -5.306 319 HA LEU 40 HA LEU 40 -17.575 6.082 -2.647 320 HB2 LEU 40 HB2 LEU 40 -14.751 6.076 -3.654 321 HB3 LEU 40 HB1 LEU 40 -15.327 5.790 -2.025 322 HG LEU 40 HG LEU 40 -15.547 3.940 -4.384 323 HD11 LEU 40 HD11 LEU 40 -13.434 3.691 -3.500 324 HD12 LEU 40 HD12 LEU 40 -14.345 2.452 -2.659 325 HD13 LEU 40 HD13 LEU 40 -13.971 3.968 -1.849 326 HD21 LEU 40 HD21 LEU 40 -16.763 3.671 -1.648 327 HD22 LEU 40 HD22 LEU 40 -16.658 2.373 -2.829 328 HD23 LEU 40 HD23 LEU 40 -17.625 3.804 -3.174 329 H HIS 41 HN HIS 41 -18.576 8.110 -3.032 330 HA HIS 41 HA HIS 41 -17.177 10.301 -4.224 331 HB2 HIS 41 HB2 HIS 41 -19.591 10.448 -2.404 332 HB3 HIS 41 HB1 HIS 41 -19.054 11.667 -3.548 333 HD1 HIS 41 HD1 HIS 41 -19.527 11.239 -6.066 334 HD2 HIS 41 HD2 HIS 41 -21.143 8.355 -3.519 335 HE1 HIS 41 HE1 HIS 41 -21.203 9.966 -7.442 336 HE2 HIS 41 HE2 HIS 41 -22.060 8.153 -5.921 337 H ASP 42 HN ASP 42 -16.959 8.842 -1.214 338 HA ASP 42 HA ASP 42 -16.166 11.344 0.107 339 HB2 ASP 42 HB2 ASP 42 -17.338 8.833 1.276 340 HB3 ASP 42 HB1 ASP 42 -16.734 10.172 2.241 341 H TYR 43 HN TYR 43 -14.480 9.473 -1.513 342 HA TYR 43 HA TYR 43 -12.958 7.875 0.265 343 HB2 TYR 43 HB2 TYR 43 -13.054 7.345 -2.102 344 HB3 TYR 43 HB1 TYR 43 -12.305 8.867 -2.525 345 HD1 TYR 43 HD1 TYR 43 -11.746 5.592 -0.972 346 HD2 TYR 43 HD2 TYR 43 -9.918 9.116 -2.471 347 HE1 TYR 43 HE1 TYR 43 -9.570 4.474 -0.899 348 HE2 TYR 43 HE2 TYR 43 -7.720 8.012 -2.399 349 HH TYR 43 HH TYR 43 -6.660 6.091 -1.115 350 H HIS 44 HN HIS 44 -12.438 11.108 -1.094 351 HA HIS 44 HA HIS 44 -9.825 11.338 0.075 352 HB2 HIS 44 HB2 HIS 44 -11.632 13.297 -1.323 353 HB3 HIS 44 HB1 HIS 44 -10.117 13.801 -0.581 354 HD1 HIS 44 HD1 HIS 44 -7.923 12.967 -1.678 355 HD2 HIS 44 HD2 HIS 44 -11.375 11.871 -3.712 356 HE1 HIS 44 HE1 HIS 44 -7.151 12.152 -3.926 357 HE2 HIS 44 HE2 HIS 44 -9.263 11.603 -5.181 358 H ASP 45 HN ASP 45 -12.995 11.750 1.194 359 HA ASP 45 HA ASP 45 -12.426 13.657 3.253 360 HB2 ASP 45 HB2 ASP 45 -14.724 11.726 2.887 361 HB3 ASP 45 HB1 ASP 45 -14.636 12.914 4.182 362 H ILE 46 HN ILE 46 -12.717 10.138 3.080 363 HA ILE 46 HA ILE 46 -12.176 9.820 5.885 364 HB ILE 46 HB ILE 46 -12.622 7.902 3.630 365 HG12 ILE 46 HG12 ILE 46 -14.364 7.056 5.228 366 HG13 ILE 46 HG11 ILE 46 -13.969 8.403 6.287 367 HG21 ILE 46 HG21 ILE 46 -11.124 6.513 4.579 368 HG22 ILE 46 HG22 ILE 46 -12.448 6.193 5.694 369 HG23 ILE 46 HG23 ILE 46 -11.178 7.335 6.134 370 HD11 ILE 46 HD11 ILE 46 -15.022 8.620 3.482 371 HD12 ILE 46 HD12 ILE 46 -14.651 9.969 4.555 372 HD13 ILE 46 HD13 ILE 46 -15.954 8.850 4.961 373 H ILE 47 HN ILE 47 -10.366 9.279 2.881 374 HA ILE 47 HA ILE 47 -8.076 8.305 4.368 375 HB ILE 47 HB ILE 47 -8.290 8.861 1.414 376 HG12 ILE 47 HG12 ILE 47 -9.940 7.161 2.356 377 HG13 ILE 47 HG11 ILE 47 -8.886 6.595 1.063 378 HG21 ILE 47 HG21 ILE 47 -6.412 7.126 1.399 379 HG22 ILE 47 HG22 ILE 47 -6.276 7.448 3.125 380 HG23 ILE 47 HG23 ILE 47 -6.019 8.747 1.964 381 HD11 ILE 47 HD11 ILE 47 -8.563 6.079 4.004 382 HD12 ILE 47 HD12 ILE 47 -7.436 5.569 2.748 383 HD13 ILE 47 HD13 ILE 47 -9.068 4.927 2.769 384 H LYS 48 HN LYS 48 -7.212 9.993 5.537 385 HA LYS 48 HA LYS 48 -6.634 12.535 4.491 386 HB2 LYS 48 HB2 LYS 48 -5.814 11.002 6.893 387 HB3 LYS 48 HB1 LYS 48 -4.856 12.403 6.433 388 HG2 LYS 48 HG2 LYS 48 -6.559 13.025 8.039 389 HG3 LYS 48 HG1 LYS 48 -6.854 13.788 6.480 390 HD2 LYS 48 HD2 LYS 48 -8.443 11.932 5.975 391 HD3 LYS 48 HD1 LYS 48 -8.299 11.443 7.670 392 HE2 LYS 48 HE2 LYS 48 -8.947 13.795 8.272 393 HE3 LYS 48 HE1 LYS 48 -9.283 14.044 6.559 394 HZ1 LYS 48 HZ1 LYS 48 -11.270 13.485 7.876 395 HZ2 LYS 48 HZ2 LYS 48 -10.597 11.974 8.229 396 HZ3 LYS 48 HZ3 LYS 48 -10.978 12.379 6.629 397 H HIS 49 HN HIS 49 -4.826 9.507 4.568 398 HA HIS 49 HA HIS 49 -2.617 10.841 3.127 399 HB2 HIS 49 HB2 HIS 49 -2.429 8.491 5.019 400 HB3 HIS 49 HB1 HIS 49 -1.086 9.213 4.144 401 HD1 HIS 49 HD1 HIS 49 -0.404 11.674 4.894 402 HD2 HIS 49 HD2 HIS 49 -3.080 9.713 7.395 403 HE1 HIS 49 HE1 HIS 49 -0.356 12.945 7.059 404 HE2 HIS 49 HE2 HIS 49 -2.146 11.875 8.465 405 HA PRO 50 HA PRO 50 -4.273 7.413 0.387 406 HB2 PRO 50 HB2 PRO 50 -4.372 8.893 -1.889 407 HB3 PRO 50 HB1 PRO 50 -5.725 8.777 -0.757 408 HG2 PRO 50 HG2 PRO 50 -3.672 10.936 -1.044 409 HG3 PRO 50 HG1 PRO 50 -5.425 11.078 -0.803 410 HD2 PRO 50 HD2 PRO 50 -3.662 11.378 1.235 411 HD3 PRO 50 HD1 PRO 50 -5.278 10.671 1.473 412 H MET 51 HN MET 51 -2.453 6.218 0.245 413 HA MET 51 HA MET 51 -0.391 7.188 -1.601 414 HB2 MET 51 HB2 MET 51 0.545 7.484 0.604 415 HB3 MET 51 HB1 MET 51 0.084 5.857 1.088 416 HG2 MET 51 HG2 MET 51 2.503 6.102 0.595 417 HG3 MET 51 HG1 MET 51 1.705 4.906 -0.435 418 HE1 MET 51 HE1 MET 51 2.794 8.593 -0.160 419 HE2 MET 51 HE2 MET 51 1.283 8.838 -1.026 420 HE3 MET 51 HE3 MET 51 2.824 9.155 -1.826 421 H ASP 52 HN ASP 52 0.674 5.609 -2.781 422 HA ASP 52 HA ASP 52 -0.297 2.855 -2.605 423 HB2 ASP 52 HB2 ASP 52 -0.620 2.760 -5.062 424 HB3 ASP 52 HB1 ASP 52 -1.730 3.899 -4.303 425 H LEU 53 HN LEU 53 1.087 1.405 -4.048 426 HA LEU 53 HA LEU 53 3.758 1.802 -3.244 427 HB2 LEU 53 HB2 LEU 53 2.426 -0.181 -5.044 428 HB3 LEU 53 HB1 LEU 53 4.168 -0.177 -4.851 429 HG LEU 53 HG LEU 53 2.278 -0.361 -2.516 430 HD11 LEU 53 HD11 LEU 53 1.992 -2.201 -4.168 431 HD12 LEU 53 HD12 LEU 53 2.493 -2.723 -2.565 432 HD13 LEU 53 HD13 LEU 53 3.668 -2.650 -3.882 433 HD21 LEU 53 HD21 LEU 53 4.466 0.329 -1.893 434 HD22 LEU 53 HD22 LEU 53 5.208 -0.932 -2.871 435 HD23 LEU 53 HD23 LEU 53 4.277 -1.360 -1.434 436 H SER 54 HN SER 54 2.143 2.441 -6.290 437 HA SER 54 HA SER 54 4.474 2.824 -7.839 438 HB2 SER 54 HB2 SER 54 1.729 4.040 -8.208 439 HB3 SER 54 HB1 SER 54 3.001 3.978 -9.426 440 HG SER 54 HG SER 54 1.438 1.904 -8.354 441 H THR 55 HN THR 55 2.577 4.996 -5.797 442 HA THR 55 HA THR 55 4.094 7.326 -6.499 443 HB THR 55 HB THR 55 2.379 6.993 -4.038 444 HG1 THR 55 HG1 THR 55 0.885 6.675 -5.589 445 HG21 THR 55 HG21 THR 55 3.961 8.948 -4.321 446 HG22 THR 55 HG22 THR 55 2.270 9.348 -4.034 447 HG23 THR 55 HG23 THR 55 2.943 9.461 -5.662 448 H VAL 56 HN VAL 56 4.236 4.919 -3.911 449 HA VAL 56 HA VAL 56 6.198 6.165 -2.328 450 HB VAL 56 HB VAL 56 5.769 3.208 -2.827 451 HG11 VAL 56 HG11 VAL 56 8.014 3.634 -1.952 452 HG12 VAL 56 HG12 VAL 56 6.996 2.858 -0.732 453 HG13 VAL 56 HG13 VAL 56 7.322 4.588 -0.635 454 HG21 VAL 56 HG21 VAL 56 3.844 4.484 -1.859 455 HG22 VAL 56 HG22 VAL 56 4.878 4.879 -0.484 456 HG23 VAL 56 HG23 VAL 56 4.469 3.198 -0.826 457 H LYS 57 HN LYS 57 6.442 3.940 -5.049 458 HA LYS 57 HA LYS 57 9.256 3.859 -5.192 459 HB2 LYS 57 HB2 LYS 57 7.162 2.623 -6.484 460 HB3 LYS 57 HB1 LYS 57 7.850 3.622 -7.753 461 HG2 LYS 57 HG2 LYS 57 10.044 2.596 -7.338 462 HG3 LYS 57 HG1 LYS 57 9.315 1.571 -6.114 463 HD2 LYS 57 HD2 LYS 57 7.750 0.719 -7.867 464 HD3 LYS 57 HD1 LYS 57 8.709 1.599 -9.058 465 HE2 LYS 57 HE2 LYS 57 9.896 -0.416 -7.169 466 HE3 LYS 57 HE1 LYS 57 9.255 -0.856 -8.753 467 HZ1 LYS 57 HZ1 LYS 57 11.475 1.046 -8.233 468 HZ2 LYS 57 HZ2 LYS 57 10.827 0.711 -9.753 469 HZ3 LYS 57 HZ3 LYS 57 11.617 -0.507 -8.891 470 H ARG 58 HN ARG 58 6.816 5.853 -6.747 471 HA ARG 58 HA ARG 58 8.324 7.387 -8.476 472 HB2 ARG 58 HB2 ARG 58 5.890 7.462 -8.304 473 HB3 ARG 58 HB1 ARG 58 6.007 8.211 -6.726 474 HG2 ARG 58 HG2 ARG 58 7.099 10.161 -7.764 475 HG3 ARG 58 HG1 ARG 58 6.845 9.428 -9.344 476 HD2 ARG 58 HD2 ARG 58 4.450 9.460 -9.001 477 HD3 ARG 58 HD1 ARG 58 4.678 10.082 -7.369 478 HE ARG 58 HE ARG 58 5.915 11.850 -9.131 479 HH11 ARG 58 HH11 ARG 58 2.692 10.720 -8.373 480 HH12 ARG 58 HH12 ARG 58 1.924 12.207 -8.823 481 HH21 ARG 58 HH21 ARG 58 4.908 13.814 -9.725 482 HH22 ARG 58 HH22 ARG 58 3.183 13.963 -9.612 483 H LYS 59 HN LYS 59 7.559 8.095 -5.082 484 HA LYS 59 HA LYS 59 9.174 10.438 -4.999 485 HB2 LYS 59 HB2 LYS 59 7.903 8.782 -2.815 486 HB3 LYS 59 HB1 LYS 59 8.705 10.326 -2.549 487 HG2 LYS 59 HG2 LYS 59 7.071 11.524 -3.666 488 HG3 LYS 59 HG1 LYS 59 6.494 10.108 -4.540 489 HD2 LYS 59 HD2 LYS 59 4.952 10.920 -2.750 490 HD3 LYS 59 HD1 LYS 59 5.429 9.233 -2.594 491 HE2 LYS 59 HE2 LYS 59 7.195 11.076 -1.168 492 HE3 LYS 59 HE1 LYS 59 5.521 11.127 -0.602 493 HZ1 LYS 59 HZ1 LYS 59 7.149 8.654 -0.860 494 HZ2 LYS 59 HZ2 LYS 59 5.576 8.751 -0.249 495 HZ3 LYS 59 HZ3 LYS 59 6.852 9.481 0.582 496 H MET 60 HN MET 60 9.707 7.058 -4.253 497 HA MET 60 HA MET 60 12.257 7.332 -3.056 498 HB2 MET 60 HB2 MET 60 11.032 5.209 -2.967 499 HB3 MET 60 HB1 MET 60 11.136 5.055 -4.714 500 HG2 MET 60 HG2 MET 60 13.686 5.121 -4.338 501 HG3 MET 60 HG1 MET 60 13.286 4.758 -2.662 502 HE1 MET 60 HE1 MET 60 11.746 2.756 -1.981 503 HE2 MET 60 HE2 MET 60 11.342 1.390 -3.020 504 HE3 MET 60 HE3 MET 60 10.569 2.955 -3.278 505 H GLU 61 HN GLU 61 11.169 7.132 -6.412 506 HA GLU 61 HA GLU 61 13.753 6.965 -7.576 507 HB2 GLU 61 HB2 GLU 61 11.087 7.874 -8.662 508 HB3 GLU 61 HB1 GLU 61 12.534 7.782 -9.654 509 HG2 GLU 61 HG2 GLU 61 12.699 5.381 -9.146 510 HG3 GLU 61 HG1 GLU 61 11.221 5.496 -8.196 511 H ASN 62 HN ASN 62 11.762 9.626 -6.519 512 HA ASN 62 HA ASN 62 13.529 11.643 -7.617 513 HB2 ASN 62 HB2 ASN 62 11.180 11.821 -5.719 514 HB3 ASN 62 HB1 ASN 62 12.157 13.212 -6.167 515 HD21 ASN 62 HD21 ASN 62 11.418 10.674 -8.451 516 HD22 ASN 62 HD22 ASN 62 10.334 11.610 -9.418 517 H ARG 63 HN ARG 63 13.682 9.516 -5.171 518 HA ARG 63 HA ARG 63 15.039 9.171 -3.414 519 HB2 ARG 63 HB2 ARG 63 16.603 11.501 -4.526 520 HB3 ARG 63 HB1 ARG 63 17.214 10.240 -3.464 521 HG2 ARG 63 HG2 ARG 63 16.126 9.731 -6.224 522 HG3 ARG 63 HG1 ARG 63 17.838 9.965 -5.846 523 HD2 ARG 63 HD2 ARG 63 18.028 7.959 -4.776 524 HD3 ARG 63 HD1 ARG 63 16.335 7.921 -4.299 525 HE ARG 63 HE ARG 63 15.795 6.952 -6.324 526 HH11 ARG 63 HH11 ARG 63 19.147 7.960 -6.342 527 HH12 ARG 63 HH12 ARG 63 19.553 7.014 -7.741 528 HH21 ARG 63 HH21 ARG 63 16.336 5.676 -8.140 529 HH22 ARG 63 HH22 ARG 63 17.961 5.696 -8.748 530 H ASP 64 HN ASP 64 12.799 10.983 -3.109 531 HA ASP 64 HA ASP 64 13.443 13.102 -1.324 532 HB2 ASP 64 HB2 ASP 64 11.039 12.135 -2.365 533 HB3 ASP 64 HB1 ASP 64 10.919 11.732 -0.650 534 H TYR 65 HN TYR 65 13.190 9.693 -0.918 535 HA TYR 65 HA TYR 65 12.821 9.690 1.921 536 HB2 TYR 65 HB2 TYR 65 13.732 7.476 0.060 537 HB3 TYR 65 HB1 TYR 65 13.262 7.261 1.739 538 HD1 TYR 65 HD1 TYR 65 11.593 5.613 1.151 539 HD2 TYR 65 HD2 TYR 65 11.388 9.547 -0.432 540 HE1 TYR 65 HE1 TYR 65 9.284 5.195 0.412 541 HE2 TYR 65 HE2 TYR 65 9.087 9.142 -1.154 542 HH TYR 65 HH TYR 65 7.249 6.498 -0.131 543 H ARG 66 HN ARG 66 14.346 9.418 3.506 544 HA ARG 66 HA ARG 66 17.145 9.602 2.645 545 HB2 ARG 66 HB2 ARG 66 15.840 10.090 5.321 546 HB3 ARG 66 HB1 ARG 66 17.576 10.150 5.052 547 HG2 ARG 66 HG2 ARG 66 15.554 11.913 3.681 548 HG3 ARG 66 HG1 ARG 66 16.521 12.373 5.083 549 HD2 ARG 66 HD2 ARG 66 17.672 13.272 3.248 550 HD3 ARG 66 HD1 ARG 66 18.557 11.806 3.655 551 HE ARG 66 HE ARG 66 16.577 11.333 1.655 552 HH11 ARG 66 HH11 ARG 66 19.810 12.564 2.178 553 HH12 ARG 66 HH12 ARG 66 20.315 12.298 0.539 554 HH21 ARG 66 HH21 ARG 66 17.234 10.995 -0.511 555 HH22 ARG 66 HH22 ARG 66 18.852 11.407 -0.987 556 H ASP 67 HN ASP 67 14.879 7.492 4.253 557 HA ASP 67 HA ASP 67 16.958 5.459 4.448 558 HB2 ASP 67 HB2 ASP 67 15.335 6.444 6.803 559 HB3 ASP 67 HB1 ASP 67 16.171 4.896 6.789 560 H ALA 68 HN ALA 68 15.993 3.325 5.017 561 HA ALA 68 HA ALA 68 13.732 2.815 3.359 562 HB1 ALA 68 HB1 ALA 68 15.178 1.030 5.309 563 HB2 ALA 68 HB2 ALA 68 15.499 1.169 3.581 564 HB3 ALA 68 HB3 ALA 68 13.971 0.490 4.142 565 H GLN 69 HN GLN 69 14.178 3.673 6.603 566 HA GLN 69 HA GLN 69 11.834 2.558 7.716 567 HB2 GLN 69 HB2 GLN 69 13.829 3.467 8.992 568 HB3 GLN 69 HB1 GLN 69 13.226 5.077 8.626 569 HG2 GLN 69 HG2 GLN 69 12.476 4.544 10.794 570 HG3 GLN 69 HG1 GLN 69 11.084 4.414 9.717 571 HE21 GLN 69 HE21 GLN 69 13.374 2.674 11.651 572 HE22 GLN 69 HE22 GLN 69 12.539 1.162 11.654 573 H GLU 70 HN GLU 70 12.634 5.611 6.152 574 HA GLU 70 HA GLU 70 10.101 6.815 6.471 575 HB2 GLU 70 HB2 GLU 70 12.308 7.316 4.468 576 HB3 GLU 70 HB1 GLU 70 10.844 8.292 4.577 577 HG2 GLU 70 HG2 GLU 70 11.485 8.650 7.023 578 HG3 GLU 70 HG1 GLU 70 13.065 8.011 6.569 579 H PHE 71 HN PHE 71 11.513 4.676 4.104 580 HA PHE 71 HA PHE 71 9.361 4.659 2.283 581 HB2 PHE 71 HB2 PHE 71 11.216 3.603 1.395 582 HB3 PHE 71 HB1 PHE 71 11.617 2.786 2.899 583 HD1 PHE 71 HD1 PHE 71 9.490 2.723 -0.087 584 HD2 PHE 71 HD2 PHE 71 10.657 0.645 3.431 585 HE1 PHE 71 HE1 PHE 71 8.404 0.678 -0.937 586 HE2 PHE 71 HE2 PHE 71 9.570 -1.390 2.601 587 HZ PHE 71 HZ PHE 71 8.447 -1.383 0.409 588 H ALA 72 HN ALA 72 10.154 2.500 5.005 589 HA ALA 72 HA ALA 72 7.897 0.911 4.955 590 HB1 ALA 72 HB1 ALA 72 9.608 1.800 7.272 591 HB2 ALA 72 HB2 ALA 72 9.739 0.306 6.341 592 HB3 ALA 72 HB3 ALA 72 8.353 0.565 7.400 593 H ALA 73 HN ALA 73 8.433 4.014 6.508 594 HA ALA 73 HA ALA 73 6.038 4.339 7.851 595 HB1 ALA 73 HB1 ALA 73 7.972 6.234 6.582 596 HB2 ALA 73 HB2 ALA 73 7.676 5.921 8.296 597 HB3 ALA 73 HB3 ALA 73 6.498 6.830 7.348 598 H ASP 74 HN ASP 74 6.819 4.964 4.462 599 HA ASP 74 HA ASP 74 4.274 6.212 3.923 600 HB2 ASP 74 HB2 ASP 74 6.619 6.655 2.817 601 HB3 ASP 74 HB1 ASP 74 6.187 5.287 1.795 602 H VAL 75 HN VAL 75 5.831 3.111 3.053 603 HA VAL 75 HA VAL 75 3.624 2.177 1.521 604 HB VAL 75 HB VAL 75 5.726 1.142 1.100 605 HG11 VAL 75 HG11 VAL 75 6.867 1.423 3.174 606 HG12 VAL 75 HG12 VAL 75 6.839 -0.301 2.799 607 HG13 VAL 75 HG13 VAL 75 5.729 0.359 4.000 608 HG21 VAL 75 HG21 VAL 75 5.224 -1.288 1.506 609 HG22 VAL 75 HG22 VAL 75 3.946 -0.368 0.707 610 HG23 VAL 75 HG23 VAL 75 3.809 -0.758 2.421 611 H ARG 76 HN ARG 76 4.505 1.870 4.917 612 HA ARG 76 HA ARG 76 2.412 0.018 5.533 613 HB2 ARG 76 HB2 ARG 76 3.820 -0.117 7.309 614 HB3 ARG 76 HB1 ARG 76 4.406 1.534 7.081 615 HG2 ARG 76 HG2 ARG 76 2.417 2.381 8.229 616 HG3 ARG 76 HG1 ARG 76 1.832 0.729 8.430 617 HD2 ARG 76 HD2 ARG 76 4.405 1.832 9.559 618 HD3 ARG 76 HD1 ARG 76 2.913 1.586 10.461 619 HE ARG 76 HE ARG 76 3.459 -0.867 9.406 620 HH11 ARG 76 HH11 ARG 76 5.272 1.406 11.356 621 HH12 ARG 76 HH12 ARG 76 6.156 0.176 12.204 622 HH21 ARG 76 HH21 ARG 76 4.631 -2.492 10.515 623 HH22 ARG 76 HH22 ARG 76 5.796 -2.041 11.718 624 H LEU 77 HN LEU 77 2.684 3.512 5.434 625 HA LEU 77 HA LEU 77 0.222 4.208 6.562 626 HB2 LEU 77 HB2 LEU 77 2.317 5.494 5.161 627 HB3 LEU 77 HB1 LEU 77 0.830 5.894 4.327 628 HG LEU 77 HG LEU 77 1.464 6.414 7.226 629 HD11 LEU 77 HD11 LEU 77 1.154 8.153 4.812 630 HD12 LEU 77 HD12 LEU 77 2.554 7.998 5.870 631 HD13 LEU 77 HD13 LEU 77 1.085 8.781 6.455 632 HD21 LEU 77 HD21 LEU 77 -1.086 6.646 5.672 633 HD22 LEU 77 HD22 LEU 77 -0.768 7.667 7.075 634 HD23 LEU 77 HD23 LEU 77 -0.816 5.913 7.253 635 H MET 78 HN MET 78 1.080 3.060 3.356 636 HA MET 78 HA MET 78 -1.412 3.525 2.128 637 HB2 MET 78 HB2 MET 78 0.458 3.088 0.728 638 HB3 MET 78 HB1 MET 78 0.799 1.566 1.541 639 HG2 MET 78 HG2 MET 78 -1.849 1.817 0.249 640 HG3 MET 78 HG1 MET 78 -0.436 1.722 -0.815 641 HE1 MET 78 HE1 MET 78 1.617 -0.090 0.521 642 HE2 MET 78 HE2 MET 78 1.059 -0.367 -1.126 643 HE3 MET 78 HE3 MET 78 1.121 -1.705 0.017 644 H PHE 79 HN PHE 79 -0.110 0.506 3.562 645 HA PHE 79 HA PHE 79 -2.504 -0.939 3.413 646 HB2 PHE 79 HB2 PHE 79 -0.312 -1.174 5.492 647 HB3 PHE 79 HB1 PHE 79 -1.589 -2.354 5.227 648 HD1 PHE 79 HD1 PHE 79 -1.772 -3.018 2.592 649 HD2 PHE 79 HD2 PHE 79 1.726 -1.743 4.643 650 HE1 PHE 79 HE1 PHE 79 -0.385 -4.175 0.926 651 HE2 PHE 79 HE2 PHE 79 3.126 -2.894 2.983 652 HZ PHE 79 HZ PHE 79 2.088 -4.107 1.110 653 H SER 80 HN SER 80 -1.408 1.435 5.739 654 HA SER 80 HA SER 80 -3.296 0.946 7.760 655 HB2 SER 80 HB2 SER 80 -1.875 3.517 7.043 656 HB3 SER 80 HB1 SER 80 -2.739 3.214 8.551 657 HG SER 80 HG SER 80 -0.582 1.611 7.632 658 H ASN 81 HN ASN 81 -3.359 3.343 5.081 659 HA ASN 81 HA ASN 81 -5.872 4.383 5.845 660 HB2 ASN 81 HB2 ASN 81 -5.933 5.592 3.779 661 HB3 ASN 81 HB1 ASN 81 -4.277 5.601 4.360 662 HD21 ASN 81 HD21 ASN 81 -2.705 4.807 3.097 663 HD22 ASN 81 HD22 ASN 81 -2.968 4.102 1.540 664 H CYS 82 HN CYS 82 -4.975 1.602 3.989 665 HA CYS 82 HA CYS 82 -7.444 1.059 2.755 666 HB2 CYS 82 HB2 CYS 82 -5.415 -0.938 3.802 667 HB3 CYS 82 HB1 CYS 82 -6.705 -1.284 2.657 668 HG CYS 82 HG CYS 82 -4.088 0.839 2.047 669 H TYR 83 HN TYR 83 -6.182 0.042 5.952 670 HA TYR 83 HA TYR 83 -8.631 -1.238 6.713 671 HB2 TYR 83 HB2 TYR 83 -6.408 -0.187 8.479 672 HB3 TYR 83 HB1 TYR 83 -7.730 -1.229 9.002 673 HD1 TYR 83 HD1 TYR 83 -7.810 -3.224 6.830 674 HD2 TYR 83 HD2 TYR 83 -4.464 -1.449 8.792 675 HE1 TYR 83 HE1 TYR 83 -6.463 -5.222 6.347 676 HE2 TYR 83 HE2 TYR 83 -3.128 -3.445 8.318 677 HH TYR 83 HH TYR 83 -4.060 -5.816 6.117 678 H LYS 84 HN LYS 84 -7.467 1.984 6.732 679 HA LYS 84 HA LYS 84 -9.147 3.026 8.775 680 HB2 LYS 84 HB2 LYS 84 -7.018 3.928 7.226 681 HB3 LYS 84 HB1 LYS 84 -8.359 4.946 6.726 682 HG2 LYS 84 HG2 LYS 84 -7.498 4.533 9.588 683 HG3 LYS 84 HG1 LYS 84 -6.971 5.873 8.574 684 HD2 LYS 84 HD2 LYS 84 -9.856 5.275 9.212 685 HD3 LYS 84 HD1 LYS 84 -8.859 6.411 10.123 686 HE2 LYS 84 HE2 LYS 84 -8.455 7.644 7.990 687 HE3 LYS 84 HE1 LYS 84 -9.625 6.580 7.215 688 HZ1 LYS 84 HZ1 LYS 84 -10.193 8.376 9.511 689 HZ2 LYS 84 HZ2 LYS 84 -11.315 7.377 8.740 690 HZ3 LYS 84 HZ3 LYS 84 -10.625 8.675 7.904 691 H TYR 85 HN TYR 85 -9.502 2.420 5.370 692 HA TYR 85 HA TYR 85 -12.058 3.827 5.292 693 HB2 TYR 85 HB2 TYR 85 -10.495 4.130 3.435 694 HB3 TYR 85 HB1 TYR 85 -10.547 2.407 3.085 695 HD1 TYR 85 HD1 TYR 85 -12.536 5.497 3.219 696 HD2 TYR 85 HD2 TYR 85 -12.362 1.523 1.702 697 HE1 TYR 85 HE1 TYR 85 -14.493 5.954 1.801 698 HE2 TYR 85 HE2 TYR 85 -14.313 1.978 0.276 699 HH TYR 85 HH TYR 85 -16.303 3.625 0.376 700 H ASN 86 HN ASN 86 -10.831 0.580 4.445 701 HA ASN 86 HA ASN 86 -13.529 -0.354 4.017 702 HB2 ASN 86 HB2 ASN 86 -10.879 -1.807 3.818 703 HB3 ASN 86 HB1 ASN 86 -12.440 -2.465 3.321 704 HD21 ASN 86 HD21 ASN 86 -9.938 -0.169 2.613 705 HD22 ASN 86 HD22 ASN 86 -10.443 0.195 1.000 706 HA PRO 87 HA PRO 87 -14.034 -2.155 8.076 707 HB2 PRO 87 HB2 PRO 87 -16.140 -3.774 7.387 708 HB3 PRO 87 HB1 PRO 87 -16.303 -2.063 7.789 709 HG2 PRO 87 HG2 PRO 87 -16.238 -3.386 5.117 710 HG3 PRO 87 HG1 PRO 87 -17.219 -2.014 5.671 711 HD2 PRO 87 HD2 PRO 87 -15.006 -1.723 4.125 712 HD3 PRO 87 HD1 PRO 87 -15.529 -0.500 5.301 713 HA PRO 88 HA PRO 88 -11.587 -5.734 8.043 714 HB2 PRO 88 HB2 PRO 88 -12.893 -7.303 9.917 715 HB3 PRO 88 HB1 PRO 88 -11.742 -6.016 10.283 716 HG2 PRO 88 HG2 PRO 88 -14.727 -5.958 10.291 717 HG3 PRO 88 HG1 PRO 88 -13.585 -5.183 11.406 718 HD2 PRO 88 HD2 PRO 88 -14.837 -3.779 9.506 719 HD3 PRO 88 HD1 PRO 88 -13.149 -3.438 9.942 720 H ASP 89 HN ASP 89 -14.964 -6.164 7.456 721 HA ASP 89 HA ASP 89 -14.499 -8.845 6.364 722 HB2 ASP 89 HB2 ASP 89 -17.129 -7.374 6.798 723 HB3 ASP 89 HB1 ASP 89 -16.967 -8.985 6.117 724 H HIS 90 HN HIS 90 -13.132 -7.494 4.794 725 HA HIS 90 HA HIS 90 -14.693 -7.182 2.357 726 HB2 HIS 90 HB2 HIS 90 -14.187 -4.905 3.729 727 HB3 HIS 90 HB1 HIS 90 -12.686 -5.041 2.829 728 HD1 HIS 90 HD1 HIS 90 -12.734 -4.555 0.350 729 HD2 HIS 90 HD2 HIS 90 -16.511 -4.466 2.048 730 HE1 HIS 90 HE1 HIS 90 -14.231 -3.586 -1.400 731 HE2 HIS 90 HE2 HIS 90 -16.540 -3.766 -0.428 732 H ASP 91 HN ASP 91 -13.195 -7.044 0.419 733 HA ASP 91 HA ASP 91 -11.167 -9.020 0.703 734 HB2 ASP 91 HB2 ASP 91 -12.005 -7.308 -1.627 735 HB3 ASP 91 HB1 ASP 91 -10.694 -8.478 -1.731 736 H VAL 92 HN VAL 92 -11.050 -5.509 0.336 737 HA VAL 92 HA VAL 92 -8.313 -5.416 -0.368 738 HB VAL 92 HB VAL 92 -9.159 -2.993 0.966 739 HG11 VAL 92 HG11 VAL 92 -7.327 -3.313 -0.699 740 HG12 VAL 92 HG12 VAL 92 -8.420 -1.975 -1.040 741 HG13 VAL 92 HG13 VAL 92 -8.568 -3.486 -1.936 742 HG21 VAL 92 HG21 VAL 92 -11.390 -3.721 0.383 743 HG22 VAL 92 HG22 VAL 92 -10.892 -4.006 -1.281 744 HG23 VAL 92 HG23 VAL 92 -10.909 -2.366 -0.629 745 H VAL 93 HN VAL 93 -9.917 -5.701 2.681 746 HA VAL 93 HA VAL 93 -7.573 -4.906 4.169 747 HB VAL 93 HB VAL 93 -8.773 -5.537 6.177 748 HG11 VAL 93 HG11 VAL 93 -10.683 -4.166 4.295 749 HG12 VAL 93 HG12 VAL 93 -9.302 -3.380 5.065 750 HG13 VAL 93 HG13 VAL 93 -10.622 -4.009 6.053 751 HG21 VAL 93 HG21 VAL 93 -10.926 -6.612 4.367 752 HG22 VAL 93 HG22 VAL 93 -11.004 -6.500 6.126 753 HG23 VAL 93 HG23 VAL 93 -9.836 -7.579 5.362 754 H ALA 94 HN ALA 94 -9.112 -7.859 3.082 755 HA ALA 94 HA ALA 94 -7.426 -9.674 4.443 756 HB1 ALA 94 HB1 ALA 94 -8.979 -10.062 1.887 757 HB2 ALA 94 HB2 ALA 94 -9.572 -10.365 3.519 758 HB3 ALA 94 HB3 ALA 94 -8.262 -11.344 2.861 759 H MET 95 HN MET 95 -7.320 -8.229 1.222 760 HA MET 95 HA MET 95 -4.919 -9.514 0.422 761 HB2 MET 95 HB2 MET 95 -6.234 -6.968 -0.555 762 HB3 MET 95 HB1 MET 95 -4.832 -7.702 -1.320 763 HG2 MET 95 HG2 MET 95 -6.207 -9.767 -1.676 764 HG3 MET 95 HG1 MET 95 -7.601 -8.870 -1.074 765 HE1 MET 95 HE1 MET 95 -8.281 -6.510 -2.115 766 HE2 MET 95 HE2 MET 95 -9.259 -7.784 -2.833 767 HE3 MET 95 HE3 MET 95 -8.580 -6.517 -3.850 768 H ALA 96 HN ALA 96 -5.644 -6.597 2.224 769 HA ALA 96 HA ALA 96 -3.031 -5.493 2.165 770 HB1 ALA 96 HB1 ALA 96 -4.786 -4.028 2.732 771 HB2 ALA 96 HB2 ALA 96 -3.818 -4.221 4.194 772 HB3 ALA 96 HB3 ALA 96 -5.350 -5.080 4.029 773 H ARG 97 HN ARG 97 -4.706 -7.677 4.422 774 HA ARG 97 HA ARG 97 -2.687 -7.739 6.385 775 HB2 ARG 97 HB2 ARG 97 -4.780 -9.785 5.660 776 HB3 ARG 97 HB1 ARG 97 -3.687 -9.974 7.023 777 HG2 ARG 97 HG2 ARG 97 -4.573 -7.740 7.843 778 HG3 ARG 97 HG1 ARG 97 -5.844 -7.927 6.634 779 HD2 ARG 97 HD2 ARG 97 -6.437 -10.102 7.660 780 HD3 ARG 97 HD1 ARG 97 -5.220 -9.819 8.896 781 HE ARG 97 HE ARG 97 -6.592 -7.731 9.387 782 HH11 ARG 97 HH11 ARG 97 -8.000 -10.688 8.146 783 HH12 ARG 97 HH12 ARG 97 -9.513 -10.458 8.957 784 HH21 ARG 97 HH21 ARG 97 -8.592 -7.413 10.436 785 HH22 ARG 97 HH22 ARG 97 -9.856 -8.587 10.250 786 H LYS 98 HN LYS 98 -3.283 -9.823 3.593 787 HA LYS 98 HA LYS 98 -1.174 -11.632 4.141 788 HB2 LYS 98 HB2 LYS 98 -3.173 -12.075 2.710 789 HB3 LYS 98 HB1 LYS 98 -2.480 -11.028 1.484 790 HG2 LYS 98 HG2 LYS 98 -0.550 -12.549 1.313 791 HG3 LYS 98 HG1 LYS 98 -1.304 -13.604 2.507 792 HD2 LYS 98 HD2 LYS 98 -3.220 -13.923 1.026 793 HD3 LYS 98 HD1 LYS 98 -2.483 -12.850 -0.163 794 HE2 LYS 98 HE2 LYS 98 -2.153 -15.199 -0.740 795 HE3 LYS 98 HE1 LYS 98 -0.632 -14.367 -0.432 796 HZ1 LYS 98 HZ1 LYS 98 -0.700 -16.567 0.586 797 HZ2 LYS 98 HZ2 LYS 98 -2.044 -16.115 1.506 798 HZ3 LYS 98 HZ3 LYS 98 -0.555 -15.355 1.755 799 H LEU 99 HN LEU 99 -1.397 -8.912 1.847 800 HA LEU 99 HA LEU 99 1.285 -8.958 1.036 801 HB2 LEU 99 HB2 LEU 99 -0.920 -7.013 0.910 802 HB3 LEU 99 HB1 LEU 99 0.681 -6.336 0.850 803 HG LEU 99 HG LEU 99 -0.824 -7.694 -1.228 804 HD11 LEU 99 HD11 LEU 99 1.755 -6.198 -1.375 805 HD12 LEU 99 HD12 LEU 99 0.200 -5.393 -1.184 806 HD13 LEU 99 HD13 LEU 99 0.525 -6.362 -2.623 807 HD21 LEU 99 HD21 LEU 99 2.092 -8.406 -1.023 808 HD22 LEU 99 HD22 LEU 99 0.927 -8.933 -2.240 809 HD23 LEU 99 HD23 LEU 99 0.794 -9.527 -0.587 810 H GLN 100 HN GLN 100 -0.225 -7.571 3.882 811 HA GLN 100 HA GLN 100 1.977 -5.999 4.691 812 HB2 GLN 100 HB2 GLN 100 -0.283 -5.758 5.683 813 HB3 GLN 100 HB1 GLN 100 -0.147 -7.360 6.384 814 HG2 GLN 100 HG2 GLN 100 1.724 -6.559 7.783 815 HG3 GLN 100 HG1 GLN 100 1.490 -4.935 7.132 816 HE21 GLN 100 HE21 GLN 100 -0.320 -3.758 7.723 817 HE22 GLN 100 HE22 GLN 100 -1.308 -4.197 9.072 818 H ASP 101 HN ASP 101 1.119 -9.379 5.107 819 HA ASP 101 HA ASP 101 3.101 -10.144 6.926 820 HB2 ASP 101 HB2 ASP 101 1.363 -11.694 6.455 821 HB3 ASP 101 HB1 ASP 101 1.692 -11.654 4.726 822 H VAL 102 HN VAL 102 3.182 -10.281 3.348 823 HA VAL 102 HA VAL 102 5.855 -11.169 3.203 824 HB VAL 102 HB VAL 102 4.646 -11.508 1.232 825 HG11 VAL 102 HG11 VAL 102 3.709 -9.586 -0.084 826 HG12 VAL 102 HG12 VAL 102 3.871 -8.634 1.390 827 HG13 VAL 102 HG13 VAL 102 2.837 -10.064 1.371 828 HG21 VAL 102 HG21 VAL 102 6.014 -9.154 0.145 829 HG22 VAL 102 HG22 VAL 102 6.145 -10.857 -0.308 830 HG23 VAL 102 HG23 VAL 102 7.021 -10.248 1.097 831 H PHE 103 HN PHE 103 4.542 -7.885 2.752 832 HA PHE 103 HA PHE 103 6.959 -6.559 2.414 833 HB2 PHE 103 HB2 PHE 103 5.214 -5.167 1.970 834 HB3 PHE 103 HB1 PHE 103 4.258 -5.722 3.338 835 HD1 PHE 103 HD1 PHE 103 7.492 -3.972 2.707 836 HD2 PHE 103 HD2 PHE 103 3.944 -4.161 5.077 837 HE1 PHE 103 HE1 PHE 103 8.241 -2.015 3.984 838 HE2 PHE 103 HE2 PHE 103 4.695 -2.201 6.348 839 HZ PHE 103 HZ PHE 103 6.842 -1.125 5.808 840 H GLU 104 HN GLU 104 5.402 -7.579 5.432 841 HA GLU 104 HA GLU 104 7.165 -6.132 7.119 842 HB2 GLU 104 HB2 GLU 104 5.250 -6.687 8.250 843 HB3 GLU 104 HB1 GLU 104 5.103 -8.249 7.455 844 HG2 GLU 104 HG2 GLU 104 6.896 -9.120 8.798 845 HG3 GLU 104 HG1 GLU 104 7.093 -7.562 9.597 846 H PHE 105 HN PHE 105 7.062 -9.439 5.881 847 HA PHE 105 HA PHE 105 9.290 -10.405 7.322 848 HB2 PHE 105 HB2 PHE 105 7.491 -11.720 6.022 849 HB3 PHE 105 HB1 PHE 105 8.476 -11.404 4.598 850 HD1 PHE 105 HD1 PHE 105 8.402 -13.055 7.883 851 HD2 PHE 105 HD2 PHE 105 10.479 -12.623 4.192 852 HE1 PHE 105 HE1 PHE 105 9.787 -15.007 8.436 853 HE2 PHE 105 HE2 PHE 105 11.863 -14.577 4.745 854 HZ PHE 105 HZ PHE 105 11.520 -15.770 6.867 855 H ARG 106 HN ARG 106 8.934 -8.677 4.311 856 HA ARG 106 HA ARG 106 11.559 -8.966 3.333 857 HB2 ARG 106 HB2 ARG 106 9.474 -6.829 2.910 858 HB3 ARG 106 HB1 ARG 106 11.002 -6.864 2.066 859 HG2 ARG 106 HG2 ARG 106 9.030 -9.079 1.982 860 HG3 ARG 106 HG1 ARG 106 9.134 -7.772 0.791 861 HD2 ARG 106 HD2 ARG 106 11.043 -9.980 1.358 862 HD3 ARG 106 HD1 ARG 106 10.437 -9.345 -0.145 863 HE ARG 106 HE ARG 106 12.378 -7.852 1.445 864 HH11 ARG 106 HH11 ARG 106 11.313 -9.190 -1.615 865 HH12 ARG 106 HH12 ARG 106 12.653 -8.526 -2.507 866 HH21 ARG 106 HH21 ARG 106 14.138 -6.994 0.267 867 HH22 ARG 106 HH22 ARG 106 14.258 -7.280 -1.434 868 H TYR 107 HN TYR 107 10.036 -6.422 5.316 869 HA TYR 107 HA TYR 107 12.490 -4.981 5.601 870 HB2 TYR 107 HB2 TYR 107 10.114 -4.020 5.818 871 HB3 TYR 107 HB1 TYR 107 10.122 -4.691 7.449 872 HD1 TYR 107 HD1 TYR 107 11.241 -1.992 5.327 873 HD2 TYR 107 HD2 TYR 107 11.852 -3.881 9.089 874 HE1 TYR 107 HE1 TYR 107 12.437 0.002 6.132 875 HE2 TYR 107 HE2 TYR 107 13.051 -1.900 9.897 876 HH TYR 107 HH TYR 107 14.290 -0.009 9.011 877 H ALA 108 HN ALA 108 10.939 -7.573 7.328 878 HA ALA 108 HA ALA 108 12.377 -7.417 9.739 879 HB1 ALA 108 HB1 ALA 108 10.365 -8.801 9.421 880 HB2 ALA 108 HB2 ALA 108 11.714 -9.715 10.098 881 HB3 ALA 108 HB3 ALA 108 11.299 -9.888 8.393 882 H LYS 109 HN LYS 109 13.146 -8.842 6.619 883 HA LYS 109 HA LYS 109 15.606 -10.010 7.581 884 HB2 LYS 109 HB2 LYS 109 14.331 -11.062 5.750 885 HB3 LYS 109 HB1 LYS 109 14.589 -9.627 4.762 886 HG2 LYS 109 HG2 LYS 109 16.849 -10.078 4.462 887 HG3 LYS 109 HG1 LYS 109 16.936 -11.126 5.869 888 HD2 LYS 109 HD2 LYS 109 15.413 -11.878 3.349 889 HD3 LYS 109 HD1 LYS 109 17.110 -12.247 3.601 890 HE2 LYS 109 HE2 LYS 109 15.806 -14.181 4.162 891 HE3 LYS 109 HE1 LYS 109 16.512 -13.516 5.633 892 HZ1 LYS 109 HZ1 LYS 109 14.424 -12.626 6.271 893 HZ2 LYS 109 HZ2 LYS 109 14.149 -14.227 5.811 894 HZ3 LYS 109 HZ3 LYS 109 13.731 -12.968 4.766 895 H MET 110 HN MET 110 14.532 -7.030 6.265 896 HA MET 110 HA MET 110 17.094 -6.030 5.484 897 HB2 MET 110 HB2 MET 110 15.108 -5.082 4.495 898 HB3 MET 110 HB1 MET 110 14.466 -4.658 6.073 899 HG2 MET 110 HG2 MET 110 17.065 -3.501 5.189 900 HG3 MET 110 HG1 MET 110 15.560 -2.849 4.552 901 HE1 MET 110 HE1 MET 110 16.302 -0.556 5.460 902 HE2 MET 110 HE2 MET 110 17.744 -1.150 6.286 903 HE3 MET 110 HE3 MET 110 16.570 -0.163 7.158 904 HA PRO 111 HA PRO 111 18.188 -5.022 9.717 905 HB2 PRO 111 HB2 PRO 111 20.817 -4.739 9.339 906 HB3 PRO 111 HB1 PRO 111 20.043 -6.326 9.345 907 HG2 PRO 111 HG2 PRO 111 21.052 -4.725 7.057 908 HG3 PRO 111 HG1 PRO 111 20.973 -6.483 7.250 909 HD2 PRO 111 HD2 PRO 111 19.167 -4.849 5.815 910 HD3 PRO 111 HD1 PRO 111 18.953 -6.571 6.229 911 H ASP 112 HN ASP 112 18.558 -3.198 10.826 912 HA ASP 112 HA ASP 112 18.939 -0.714 9.305 913 HB2 ASP 112 HB2 ASP 112 17.348 -1.396 11.717 914 HB3 ASP 112 HB1 ASP 112 18.135 0.176 11.709 915 H1 HIS 281 HT1 HIS 281 -23.358 -1.867 11.145 916 H2 HIS 281 HT2 HIS 281 -23.650 -2.917 9.855 917 H3 HIS 281 HT3 HIS 281 -24.861 -2.626 10.996 918 HA HIS 281 HA HIS 281 -25.284 -1.437 8.943 919 HB2 HIS 281 HB2 HIS 281 -24.526 0.340 11.274 920 HB3 HIS 281 HB1 HIS 281 -25.498 0.851 9.905 921 HD1 HIS 281 HD1 HIS 281 -25.831 -0.339 13.247 922 HD2 HIS 281 HD2 HIS 281 -27.981 -0.850 9.725 923 HE1 HIS 281 HE1 HIS 281 -28.107 -1.134 13.951 924 HE2 HIS 281 HE2 HIS 281 -29.367 -1.515 11.806 925 H ASN 282 HN ASN 282 -24.499 -0.353 7.226 926 HA ASN 282 HA ASN 282 -21.625 0.172 7.227 927 HB2 ASN 282 HB2 ASN 282 -23.641 0.037 4.972 928 HB3 ASN 282 HB1 ASN 282 -21.946 0.443 4.747 929 HD21 ASN 282 HD21 ASN 282 -21.670 -1.327 3.392 930 HD22 ASN 282 HD22 ASN 282 -21.573 -2.943 3.997 931 H LEU 283 HN LEU 283 -21.436 2.105 8.308 932 HA LEU 283 HA LEU 283 -23.098 4.360 7.725 933 HB2 LEU 283 HB2 LEU 283 -20.529 4.054 9.269 934 HB3 LEU 283 HB1 LEU 283 -21.285 5.615 9.022 935 HG LEU 283 HG LEU 283 -23.349 4.662 10.149 936 HD11 LEU 283 HD11 LEU 283 -21.408 2.499 10.948 937 HD12 LEU 283 HD12 LEU 283 -22.823 2.295 9.915 938 HD13 LEU 283 HD13 LEU 283 -23.025 2.737 11.610 939 HD21 LEU 283 HD21 LEU 283 -20.796 4.862 11.739 940 HD22 LEU 283 HD22 LEU 283 -22.428 4.983 12.395 941 HD23 LEU 283 HD23 LEU 283 -21.839 6.202 11.264 942 H LEU 284 HN LEU 284 -19.971 3.200 6.688 943 HA LEU 284 HA LEU 284 -19.645 5.527 4.935 944 HB2 LEU 284 HB2 LEU 284 -17.744 3.338 5.765 945 HB3 LEU 284 HB1 LEU 284 -17.367 4.508 4.517 946 HG LEU 284 HG LEU 284 -17.927 5.166 7.408 947 HD11 LEU 284 HD11 LEU 284 -15.547 5.712 7.504 948 HD12 LEU 284 HD12 LEU 284 -15.354 5.145 5.845 949 HD13 LEU 284 HD13 LEU 284 -15.807 4.012 7.117 950 HD21 LEU 284 HD21 LEU 284 -17.151 7.413 6.798 951 HD22 LEU 284 HD22 LEU 284 -18.624 6.965 5.940 952 HD23 LEU 284 HD23 LEU 284 -17.070 6.914 5.109 953 H ARG 285 HN ARG 285 -19.005 5.172 2.732 954 HA ARG 285 HA ARG 285 -20.486 3.127 1.393 955 HB2 ARG 285 HB2 ARG 285 -18.405 5.068 0.360 956 HB3 ARG 285 HB1 ARG 285 -19.440 4.066 -0.648 957 HG2 ARG 285 HG2 ARG 285 -21.379 5.256 0.002 958 HG3 ARG 285 HG1 ARG 285 -20.518 6.088 1.294 959 HD2 ARG 285 HD2 ARG 285 -19.137 7.235 -0.350 960 HD3 ARG 285 HD1 ARG 285 -19.985 6.402 -1.656 961 HE ARG 285 HE ARG 285 -20.951 8.621 -0.053 962 HH11 ARG 285 HH11 ARG 285 -21.722 6.105 -2.364 963 HH12 ARG 285 HH12 ARG 285 -23.194 6.860 -2.888 964 HH21 ARG 285 HH21 ARG 285 -22.887 9.623 -0.748 965 HH22 ARG 285 HH22 ARG 285 -23.857 8.856 -1.968 966 H ILE 286 HN ILE 286 -19.757 1.150 0.723 967 HA ILE 286 HA ILE 286 -17.037 0.456 1.471 968 HB ILE 286 HB ILE 286 -17.614 -1.874 0.927 969 HG12 ILE 286 HG12 ILE 286 -19.460 -1.136 -0.758 970 HG13 ILE 286 HG11 ILE 286 -19.693 -2.604 0.182 971 HG21 ILE 286 HG21 ILE 286 -17.867 -1.080 3.185 972 HG22 ILE 286 HG22 ILE 286 -19.154 -2.227 2.809 973 HG23 ILE 286 HG23 ILE 286 -19.494 -0.497 2.833 974 HD11 ILE 286 HD11 ILE 286 -21.080 -1.284 1.766 975 HD12 ILE 286 HD12 ILE 286 -21.743 -1.400 0.135 976 HD13 ILE 286 HD13 ILE 286 -20.952 0.082 0.661 977 HH31 ALY 287 HH1 ALY 287 -6.978 1.334 -1.303 978 HH32 ALY 287 HH2 ALY 287 -7.000 2.491 0.032 979 HH33 ALY 287 HH3 ALY 287 -7.050 0.759 0.365 980 HZ ALY 287 HZ1 ALY 287 -8.965 0.611 -2.110 981 HE3 ALY 287 HE2 ALY 287 -11.292 1.967 -1.913 982 HE2 ALY 287 HE1 ALY 287 -11.421 0.764 -0.631 983 HD3 ALY 287 HD2 ALY 287 -11.179 -1.029 -2.204 984 HD2 ALY 287 HD1 ALY 287 -10.823 0.102 -3.509 985 HG3 ALY 287 HG2 ALY 287 -13.124 -0.748 -3.612 986 HG2 ALY 287 HG1 ALY 287 -13.065 1.001 -3.393 987 HB3 ALY 287 HB2 ALY 287 -13.417 0.667 -0.974 988 HB2 ALY 287 HB1 ALY 287 -13.581 -1.058 -1.260 989 HCA ALY 287 HA ALY 287 -15.374 1.023 -2.484 990 H ALY 287 HN ALY 287 -15.426 0.138 0.141 991 H GLN 288 HN GLN 288 -16.016 0.148 -4.374 992 HA GLN 288 HA GLN 288 -17.349 -2.393 -4.313 993 HB2 GLN 288 HB2 GLN 288 -16.863 -0.499 -6.615 994 HB3 GLN 288 HB1 GLN 288 -17.907 -1.915 -6.668 995 HG2 GLN 288 HG2 GLN 288 -19.262 -0.901 -4.845 996 HG3 GLN 288 HG1 GLN 288 -18.277 0.552 -4.988 997 HE21 GLN 288 HE21 GLN 288 -18.074 0.203 -7.925 998 HE22 GLN 288 HE22 GLN 288 -19.598 0.726 -8.548 999 H PHE 289 HN PHE 289 -15.017 -3.170 -3.661 1000 HA PHE 289 HA PHE 289 -13.596 -4.130 -6.040 1001 HB2 PHE 289 HB2 PHE 289 -12.901 -3.890 -3.143 1002 HB3 PHE 289 HB1 PHE 289 -12.112 -5.146 -4.086 1003 HD1 PHE 289 HD1 PHE 289 -12.953 -2.201 -5.962 1004 HD2 PHE 289 HD2 PHE 289 -10.028 -3.931 -3.403 1005 HE1 PHE 289 HE1 PHE 289 -11.294 -0.569 -6.758 1006 HE2 PHE 289 HE2 PHE 289 -8.368 -2.296 -4.185 1007 HZ PHE 289 HZ PHE 289 -8.996 -0.613 -5.870 1008 H LEU 290 HN LEU 290 -15.959 -5.219 -6.049 1009 HA LEU 290 HA LEU 290 -15.998 -7.687 -4.551 1010 HB2 LEU 290 HB2 LEU 290 -18.127 -8.132 -5.750 1011 HB3 LEU 290 HB1 LEU 290 -18.130 -6.644 -4.831 1012 HG LEU 290 HG LEU 290 -17.526 -6.532 -7.762 1013 HD11 LEU 290 HD11 LEU 290 -20.282 -6.732 -6.556 1014 HD12 LEU 290 HD12 LEU 290 -19.519 -7.923 -7.608 1015 HD13 LEU 290 HD13 LEU 290 -19.918 -6.324 -8.231 1016 HD21 LEU 290 HD21 LEU 290 -17.305 -4.488 -6.462 1017 HD22 LEU 290 HD22 LEU 290 -18.937 -4.690 -5.830 1018 HD23 LEU 290 HD23 LEU 290 -18.689 -4.370 -7.546 1019 H GLN 291 HN GLN 291 -13.989 -8.433 -5.409 1020 HA GLN 291 HA GLN 291 -13.644 -8.961 -8.186 1021 HB2 GLN 291 HB2 GLN 291 -11.628 -10.163 -7.499 1022 HB3 GLN 291 HB1 GLN 291 -11.742 -8.613 -6.678 1023 HG2 GLN 291 HG2 GLN 291 -12.603 -9.763 -4.680 1024 HG3 GLN 291 HG1 GLN 291 -12.406 -11.306 -5.510 1025 HE21 GLN 291 HE21 GLN 291 -10.320 -12.075 -5.925 1026 HE22 GLN 291 HE22 GLN 291 -8.943 -11.469 -5.072 1027 H SER 292 HN SER 292 -15.316 -10.532 -5.705 1028 HA SER 292 HA SER 292 -15.288 -13.124 -7.046 1029 HB2 SER 292 HB2 SER 292 -16.689 -12.348 -4.477 1030 HB3 SER 292 HB1 SER 292 -16.353 -13.978 -5.058 1031 HG SER 292 HG SER 292 -14.109 -13.484 -4.852 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 20.541 12.459 -6.910 2 H2 GLY 1 HT2 GLY 1 19.271 13.369 -6.261 3 H3 GLY 1 HT3 GLY 1 18.968 11.843 -6.918 4 HA2 GLY 1 HA1 GLY 1 20.624 12.364 -4.516 5 HA3 GLY 1 HA2 GLY 1 18.963 11.792 -4.491 6 H LYS 2 HN LYS 2 20.990 10.364 -3.273 7 HA LYS 2 HA LYS 2 21.567 8.157 -5.122 8 HB2 LYS 2 HB2 LYS 2 22.837 9.008 -2.533 9 HB3 LYS 2 HB1 LYS 2 23.136 7.438 -3.258 10 HG2 LYS 2 HG2 LYS 2 23.648 10.051 -4.655 11 HG3 LYS 2 HG1 LYS 2 24.870 9.146 -3.757 12 HD2 LYS 2 HD2 LYS 2 24.463 7.207 -5.237 13 HD3 LYS 2 HD1 LYS 2 23.333 8.189 -6.169 14 HE2 LYS 2 HE2 LYS 2 25.121 9.730 -6.748 15 HE3 LYS 2 HE1 LYS 2 26.256 8.806 -5.766 16 HZ1 LYS 2 HZ1 LYS 2 24.820 7.768 -8.149 17 HZ2 LYS 2 HZ2 LYS 2 25.952 6.921 -7.224 18 HZ3 LYS 2 HZ3 LYS 2 26.436 8.266 -8.123 19 H LEU 3 HN LEU 3 21.132 6.027 -4.564 20 HA LEU 3 HA LEU 3 19.133 5.663 -2.460 21 HB2 LEU 3 HB2 LEU 3 20.021 3.876 -4.723 22 HB3 LEU 3 HB1 LEU 3 18.986 3.324 -3.414 23 HG LEU 3 HG LEU 3 18.284 5.549 -5.330 24 HD11 LEU 3 HD11 LEU 3 17.248 2.716 -5.183 25 HD12 LEU 3 HD12 LEU 3 18.378 3.323 -6.396 26 HD13 LEU 3 HD13 LEU 3 16.741 3.971 -6.316 27 HD21 LEU 3 HD21 LEU 3 17.271 5.731 -3.078 28 HD22 LEU 3 HD22 LEU 3 16.594 4.116 -3.283 29 HD23 LEU 3 HD23 LEU 3 16.085 5.428 -4.345 30 H SER 4 HN SER 4 20.190 5.545 -0.585 31 HA SER 4 HA SER 4 22.655 4.281 -0.127 32 HB2 SER 4 HB2 SER 4 20.429 4.706 1.882 33 HB3 SER 4 HB1 SER 4 22.158 4.583 2.214 34 HG SER 4 HG SER 4 21.647 6.742 2.200 35 H GLU 5 HN GLU 5 22.774 2.345 1.541 36 HA GLU 5 HA GLU 5 21.895 0.073 0.195 37 HB2 GLU 5 HB2 GLU 5 22.658 0.341 3.107 38 HB3 GLU 5 HB1 GLU 5 22.523 -1.180 2.234 39 HG2 GLU 5 HG2 GLU 5 24.441 1.048 1.601 40 HG3 GLU 5 HG1 GLU 5 24.840 -0.456 2.429 41 H GLN 6 HN GLN 6 20.470 1.728 2.966 42 HA GLN 6 HA GLN 6 18.322 0.004 3.464 43 HB2 GLN 6 HB2 GLN 6 18.561 3.000 3.814 44 HB3 GLN 6 HB1 GLN 6 17.183 2.070 4.378 45 HG2 GLN 6 HG2 GLN 6 18.869 2.655 6.120 46 HG3 GLN 6 HG1 GLN 6 18.480 0.942 5.997 47 HE21 GLN 6 HE21 GLN 6 20.051 -0.486 5.351 48 HE22 GLN 6 HE22 GLN 6 21.717 -0.051 5.226 49 H LEU 7 HN LEU 7 18.668 2.693 1.192 50 HA LEU 7 HA LEU 7 15.897 2.648 0.442 51 HB2 LEU 7 HB2 LEU 7 18.243 4.144 -0.718 52 HB3 LEU 7 HB1 LEU 7 16.577 4.371 -1.218 53 HG LEU 7 HG LEU 7 17.558 4.837 1.583 54 HD11 LEU 7 HD11 LEU 7 18.611 6.385 0.008 55 HD12 LEU 7 HD12 LEU 7 17.458 7.208 1.057 56 HD13 LEU 7 HD13 LEU 7 17.023 6.830 -0.611 57 HD21 LEU 7 HD21 LEU 7 15.245 4.393 1.628 58 HD22 LEU 7 HD22 LEU 7 14.960 5.344 0.171 59 HD23 LEU 7 HD23 LEU 7 15.402 6.147 1.677 60 H LYS 8 HN LYS 8 18.877 1.306 -0.831 61 HA LYS 8 HA LYS 8 17.727 0.489 -3.314 62 HB2 LYS 8 HB2 LYS 8 20.159 0.673 -2.990 63 HB3 LYS 8 HB1 LYS 8 20.091 -0.618 -1.805 64 HG2 LYS 8 HG2 LYS 8 20.918 -1.408 -3.961 65 HG3 LYS 8 HG1 LYS 8 19.405 -2.196 -3.515 66 HD2 LYS 8 HD2 LYS 8 19.414 -1.583 -5.879 67 HD3 LYS 8 HD1 LYS 8 18.176 -0.687 -4.999 68 HE2 LYS 8 HE2 LYS 8 19.633 1.266 -4.912 69 HE3 LYS 8 HE1 LYS 8 20.910 0.369 -5.731 70 HZ1 LYS 8 HZ1 LYS 8 19.715 1.791 -7.270 71 HZ2 LYS 8 HZ2 LYS 8 18.253 1.036 -6.886 72 HZ3 LYS 8 HZ3 LYS 8 19.471 0.169 -7.669 73 H HIS 9 HN HIS 9 17.966 -0.833 -0.092 74 HA HIS 9 HA HIS 9 16.866 -3.379 -0.701 75 HB2 HIS 9 HB2 HIS 9 18.058 -2.447 1.495 76 HB3 HIS 9 HB1 HIS 9 16.393 -2.136 1.973 77 HD1 HIS 9 HD1 HIS 9 18.838 -4.554 2.461 78 HD2 HIS 9 HD2 HIS 9 14.838 -4.777 1.355 79 HE1 HIS 9 HE1 HIS 9 18.114 -6.897 3.009 80 HE2 HIS 9 HE2 HIS 9 15.762 -7.066 2.123 81 H CYS 10 HN CYS 10 15.469 -0.247 0.232 82 HA CYS 10 HA CYS 10 12.819 -1.222 0.463 83 HB2 CYS 10 HB2 CYS 10 12.095 1.028 0.644 84 HB3 CYS 10 HB1 CYS 10 13.681 0.977 1.417 85 HG CYS 10 HG CYS 10 14.407 1.808 -1.559 86 H ASN 11 HN ASN 11 14.742 -0.091 -2.212 87 HA ASN 11 HA ASN 11 12.729 0.114 -4.155 88 HB2 ASN 11 HB2 ASN 11 14.971 0.898 -4.650 89 HB3 ASN 11 HB1 ASN 11 15.628 -0.713 -4.389 90 HD21 ASN 11 HD21 ASN 11 15.547 -2.209 -6.002 91 HD22 ASN 11 HD22 ASN 11 14.976 -1.867 -7.596 92 H GLY 12 HN GLY 12 14.675 -2.623 -3.053 93 HA2 GLY 12 HA2 GLY 12 13.671 -4.498 -4.937 94 HA3 GLY 12 HA1 GLY 12 14.519 -4.887 -3.445 95 H ILE 13 HN ILE 13 12.764 -3.754 -1.600 96 HA ILE 13 HA ILE 13 10.847 -5.784 -1.289 97 HB ILE 13 HB ILE 13 11.010 -3.069 0.006 98 HG12 ILE 13 HG12 ILE 13 11.788 -5.756 1.121 99 HG13 ILE 13 HG11 ILE 13 12.937 -4.683 0.340 100 HG21 ILE 13 HG21 ILE 13 9.021 -5.158 0.224 101 HG22 ILE 13 HG22 ILE 13 8.945 -3.472 0.720 102 HG23 ILE 13 HG23 ILE 13 9.694 -4.672 1.775 103 HD11 ILE 13 HD11 ILE 13 11.482 -4.338 2.929 104 HD12 ILE 13 HD12 ILE 13 12.216 -2.969 2.097 105 HD13 ILE 13 HD13 ILE 13 13.217 -4.322 2.625 106 H LEU 14 HN LEU 14 10.483 -2.386 -2.267 107 HA LEU 14 HA LEU 14 7.729 -2.399 -2.696 108 HB2 LEU 14 HB2 LEU 14 9.712 -0.541 -2.852 109 HB3 LEU 14 HB1 LEU 14 9.349 -0.786 -4.548 110 HG LEU 14 HG LEU 14 7.266 -0.106 -2.495 111 HD11 LEU 14 HD11 LEU 14 9.032 1.601 -4.197 112 HD12 LEU 14 HD12 LEU 14 8.696 1.735 -2.471 113 HD13 LEU 14 HD13 LEU 14 7.455 2.169 -3.648 114 HD21 LEU 14 HD21 LEU 14 6.744 -1.177 -4.851 115 HD22 LEU 14 HD22 LEU 14 7.078 0.467 -5.411 116 HD23 LEU 14 HD23 LEU 14 5.806 0.188 -4.236 117 H LYS 15 HN LYS 15 10.407 -3.077 -4.906 118 HA LYS 15 HA LYS 15 8.974 -3.351 -7.255 119 HB2 LYS 15 HB2 LYS 15 11.221 -3.236 -7.641 120 HB3 LYS 15 HB1 LYS 15 11.617 -4.195 -6.220 121 HG2 LYS 15 HG2 LYS 15 12.212 -5.540 -8.021 122 HG3 LYS 15 HG1 LYS 15 10.661 -6.147 -7.470 123 HD2 LYS 15 HD2 LYS 15 9.511 -5.149 -9.280 124 HD3 LYS 15 HD1 LYS 15 10.923 -4.186 -9.733 125 HE2 LYS 15 HE2 LYS 15 12.073 -6.047 -10.546 126 HE3 LYS 15 HE1 LYS 15 11.015 -7.172 -9.706 127 HZ1 LYS 15 HZ1 LYS 15 10.588 -7.103 -12.099 128 HZ2 LYS 15 HZ2 LYS 15 10.218 -5.458 -11.999 129 HZ3 LYS 15 HZ3 LYS 15 9.234 -6.593 -11.224 130 H GLU 16 HN GLU 16 9.684 -5.628 -4.710 131 HA GLU 16 HA GLU 16 8.758 -7.920 -6.097 132 HB2 GLU 16 HB2 GLU 16 10.259 -8.143 -4.167 133 HB3 GLU 16 HB1 GLU 16 9.023 -7.465 -3.110 134 HG2 GLU 16 HG2 GLU 16 7.619 -9.500 -4.069 135 HG3 GLU 16 HG1 GLU 16 9.221 -10.176 -4.298 136 H LEU 17 HN LEU 17 7.256 -5.813 -3.678 137 HA LEU 17 HA LEU 17 4.745 -7.098 -3.598 138 HB2 LEU 17 HB2 LEU 17 5.372 -4.164 -3.177 139 HB3 LEU 17 HB1 LEU 17 3.904 -4.968 -2.680 140 HG LEU 17 HG LEU 17 6.563 -5.852 -1.603 141 HD11 LEU 17 HD11 LEU 17 6.313 -3.419 -1.254 142 HD12 LEU 17 HD12 LEU 17 6.291 -4.337 0.247 143 HD13 LEU 17 HD13 LEU 17 4.786 -3.719 -0.433 144 HD21 LEU 17 HD21 LEU 17 4.644 -7.313 -1.190 145 HD22 LEU 17 HD22 LEU 17 3.745 -5.956 -0.526 146 HD23 LEU 17 HD23 LEU 17 5.181 -6.551 0.301 147 H LEU 18 HN LEU 18 6.230 -5.042 -5.929 148 HA LEU 18 HA LEU 18 3.763 -4.451 -7.352 149 HB2 LEU 18 HB2 LEU 18 6.646 -3.764 -7.849 150 HB3 LEU 18 HB1 LEU 18 5.364 -3.355 -8.966 151 HG LEU 18 HG LEU 18 5.590 -2.390 -6.123 152 HD11 LEU 18 HD11 LEU 18 7.238 -1.292 -7.401 153 HD12 LEU 18 HD12 LEU 18 5.868 -0.179 -7.316 154 HD13 LEU 18 HD13 LEU 18 6.152 -1.115 -8.784 155 HD21 LEU 18 HD21 LEU 18 3.649 -1.181 -6.434 156 HD22 LEU 18 HD22 LEU 18 3.254 -2.727 -7.164 157 HD23 LEU 18 HD23 LEU 18 3.683 -1.354 -8.182 158 H SER 19 HN SER 19 6.056 -6.921 -7.312 159 HA SER 19 HA SER 19 6.092 -7.547 -10.101 160 HB2 SER 19 HB2 SER 19 6.897 -9.190 -7.693 161 HB3 SER 19 HB1 SER 19 7.226 -9.627 -9.370 162 HG SER 19 HG SER 19 8.060 -7.156 -8.251 163 H LYS 20 HN LYS 20 5.232 -9.378 -11.109 164 HA LYS 20 HA LYS 20 2.486 -9.639 -10.810 165 HB2 LYS 20 HB2 LYS 20 4.527 -11.209 -12.350 166 HB3 LYS 20 HB1 LYS 20 2.826 -11.658 -12.377 167 HG2 LYS 20 HG2 LYS 20 3.758 -8.890 -13.042 168 HG3 LYS 20 HG1 LYS 20 3.645 -10.168 -14.255 169 HD2 LYS 20 HD2 LYS 20 1.257 -10.446 -13.687 170 HD3 LYS 20 HD1 LYS 20 1.394 -9.113 -12.538 171 HE2 LYS 20 HE2 LYS 20 1.977 -7.592 -14.345 172 HE3 LYS 20 HE1 LYS 20 1.917 -8.921 -15.503 173 HZ1 LYS 20 HZ1 LYS 20 -0.433 -9.181 -15.031 174 HZ2 LYS 20 HZ2 LYS 20 -0.107 -7.606 -15.540 175 HZ3 LYS 20 HZ3 LYS 20 -0.377 -7.922 -13.906 176 H LYS 21 HN LYS 21 5.018 -11.449 -9.321 177 HA LYS 21 HA LYS 21 3.700 -13.773 -8.568 178 HB2 LYS 21 HB2 LYS 21 6.030 -13.585 -8.136 179 HB3 LYS 21 HB1 LYS 21 5.812 -12.128 -7.188 180 HG2 LYS 21 HG2 LYS 21 4.641 -13.431 -5.477 181 HG3 LYS 21 HG1 LYS 21 4.926 -14.897 -6.403 182 HD2 LYS 21 HD2 LYS 21 7.385 -14.368 -6.256 183 HD3 LYS 21 HD1 LYS 21 6.945 -13.125 -5.075 184 HE2 LYS 21 HE2 LYS 21 7.450 -15.031 -3.793 185 HE3 LYS 21 HE1 LYS 21 5.691 -14.942 -3.861 186 HZ1 LYS 21 HZ1 LYS 21 5.712 -16.587 -5.627 187 HZ2 LYS 21 HZ2 LYS 21 6.427 -17.189 -4.221 188 HZ3 LYS 21 HZ3 LYS 21 7.394 -16.705 -5.520 189 H HIS 22 HN HIS 22 3.501 -10.521 -7.224 190 HA HIS 22 HA HIS 22 1.652 -11.551 -5.174 191 HB2 HIS 22 HB2 HIS 22 3.224 -8.950 -5.223 192 HB3 HIS 22 HB1 HIS 22 2.069 -9.404 -3.959 193 HD1 HIS 22 HD1 HIS 22 2.751 -11.526 -2.474 194 HD2 HIS 22 HD2 HIS 22 5.747 -9.978 -4.906 195 HE1 HIS 22 HE1 HIS 22 4.891 -12.446 -1.538 196 HE2 HIS 22 HE2 HIS 22 6.706 -11.269 -2.853 197 H ALA 23 HN ALA 23 1.799 -9.886 -8.077 198 HA ALA 23 HA ALA 23 0.066 -7.780 -7.939 199 HB1 ALA 23 HB1 ALA 23 1.358 -8.463 -9.913 200 HB2 ALA 23 HB2 ALA 23 -0.320 -8.077 -10.292 201 HB3 ALA 23 HB3 ALA 23 0.200 -9.761 -10.200 202 H ALA 24 HN ALA 24 -0.760 -11.178 -8.050 203 HA ALA 24 HA ALA 24 -3.460 -11.060 -8.679 204 HB1 ALA 24 HB1 ALA 24 -1.857 -12.969 -7.004 205 HB2 ALA 24 HB2 ALA 24 -2.413 -13.162 -8.670 206 HB3 ALA 24 HB3 ALA 24 -3.571 -13.220 -7.340 207 H TYR 25 HN TYR 25 -1.857 -10.225 -5.705 208 HA TYR 25 HA TYR 25 -4.443 -9.433 -4.580 209 HB2 TYR 25 HB2 TYR 25 -3.537 -10.244 -2.300 210 HB3 TYR 25 HB1 TYR 25 -4.161 -11.450 -3.421 211 HD1 TYR 25 HD1 TYR 25 -0.988 -9.898 -2.248 212 HD2 TYR 25 HD2 TYR 25 -2.853 -13.278 -4.030 213 HE1 TYR 25 HE1 TYR 25 1.116 -11.156 -2.072 214 HE2 TYR 25 HE2 TYR 25 -0.745 -14.532 -3.874 215 HH TYR 25 HH TYR 25 1.631 -14.119 -3.681 216 H ALA 26 HN ALA 26 -1.866 -8.237 -5.770 217 HA ALA 26 HA ALA 26 -1.327 -6.325 -3.591 218 HB1 ALA 26 HB1 ALA 26 0.683 -7.530 -4.329 219 HB2 ALA 26 HB2 ALA 26 0.782 -5.811 -4.714 220 HB3 ALA 26 HB3 ALA 26 0.400 -6.974 -5.981 221 H TRP 27 HN TRP 27 -2.847 -6.710 -6.588 222 HA TRP 27 HA TRP 27 -2.369 -4.301 -7.852 223 HB2 TRP 27 HB2 TRP 27 -4.573 -4.610 -8.988 224 HB3 TRP 27 HB1 TRP 27 -3.494 -5.992 -9.074 225 HD1 TRP 27 HD1 TRP 27 -4.294 -8.237 -7.930 226 HE1 TRP 27 HE1 TRP 27 -6.572 -9.035 -7.049 227 HE3 TRP 27 HE3 TRP 27 -6.720 -3.735 -7.754 228 HZ2 TRP 27 HZ2 TRP 27 -9.069 -7.911 -6.379 229 HZ3 TRP 27 HZ3 TRP 27 -9.056 -3.692 -6.991 230 HH2 TRP 27 HH2 TRP 27 -10.204 -5.735 -6.314 231 HA PRO 28 HA PRO 28 -6.148 -2.414 -5.203 232 HB2 PRO 28 HB2 PRO 28 -5.300 -2.931 -2.535 233 HB3 PRO 28 HB1 PRO 28 -6.822 -3.412 -3.279 234 HG2 PRO 28 HG2 PRO 28 -4.410 -4.988 -2.748 235 HG3 PRO 28 HG1 PRO 28 -6.062 -5.536 -3.079 236 HD2 PRO 28 HD2 PRO 28 -3.980 -5.797 -4.842 237 HD3 PRO 28 HD1 PRO 28 -5.681 -5.717 -5.328 238 H PHE 29 HN PHE 29 -2.748 -2.825 -4.568 239 HA PHE 29 HA PHE 29 -2.637 -0.134 -3.359 240 HB2 PHE 29 HB2 PHE 29 -0.377 -2.059 -3.066 241 HB3 PHE 29 HB1 PHE 29 -0.932 -0.798 -1.965 242 HD1 PHE 29 HD1 PHE 29 -0.829 -4.253 -2.579 243 HD2 PHE 29 HD2 PHE 29 -3.300 -1.214 -0.909 244 HE1 PHE 29 HE1 PHE 29 -2.038 -5.950 -1.289 245 HE2 PHE 29 HE2 PHE 29 -4.512 -2.915 0.389 246 HZ PHE 29 HZ PHE 29 -3.880 -5.285 0.191 247 H TYR 30 HN TYR 30 -1.805 -1.845 -6.140 248 HA TYR 30 HA TYR 30 0.630 -0.761 -6.909 249 HB2 TYR 30 HB2 TYR 30 -1.793 -1.601 -8.469 250 HB3 TYR 30 HB1 TYR 30 -0.424 -0.868 -9.294 251 HD1 TYR 30 HD1 TYR 30 0.467 -2.727 -6.411 252 HD2 TYR 30 HD2 TYR 30 -0.399 -3.122 -10.540 253 HE1 TYR 30 HE1 TYR 30 1.623 -4.884 -6.426 254 HE2 TYR 30 HE2 TYR 30 0.747 -5.294 -10.573 255 HH TYR 30 HH TYR 30 1.857 -6.823 -7.634 256 H LYS 31 HN LYS 31 -2.602 0.585 -7.540 257 HA LYS 31 HA LYS 31 -1.393 3.254 -7.634 258 HB2 LYS 31 HB2 LYS 31 -3.322 2.040 -9.608 259 HB3 LYS 31 HB1 LYS 31 -3.029 3.772 -9.503 260 HG2 LYS 31 HG2 LYS 31 -0.684 3.420 -10.033 261 HG3 LYS 31 HG1 LYS 31 -0.950 1.680 -10.099 262 HD2 LYS 31 HD2 LYS 31 -2.157 3.763 -11.909 263 HD3 LYS 31 HD1 LYS 31 -0.912 2.594 -12.339 264 HE2 LYS 31 HE2 LYS 31 -3.758 1.966 -11.551 265 HE3 LYS 31 HE1 LYS 31 -3.080 1.878 -13.176 266 HZ1 LYS 31 HZ1 LYS 31 -1.554 0.158 -12.379 267 HZ2 LYS 31 HZ2 LYS 31 -3.169 -0.300 -12.200 268 HZ3 LYS 31 HZ3 LYS 31 -2.285 0.205 -10.854 269 HA PRO 32 HA PRO 32 -4.651 4.501 -4.909 270 HB2 PRO 32 HB2 PRO 32 -5.542 6.827 -6.122 271 HB3 PRO 32 HB1 PRO 32 -4.127 6.723 -5.069 272 HG2 PRO 32 HG2 PRO 32 -4.275 6.716 -8.053 273 HG3 PRO 32 HG1 PRO 32 -3.109 7.526 -6.990 274 HD2 PRO 32 HD2 PRO 32 -2.478 5.267 -8.269 275 HD3 PRO 32 HD1 PRO 32 -1.911 5.574 -6.615 276 H VAL 33 HN VAL 33 -6.782 4.121 -4.666 277 HA VAL 33 HA VAL 33 -8.055 2.611 -6.652 278 HB VAL 33 HB VAL 33 -9.653 2.114 -5.121 279 HG11 VAL 33 HG11 VAL 33 -7.586 1.711 -3.992 280 HG12 VAL 33 HG12 VAL 33 -8.789 2.252 -2.827 281 HG13 VAL 33 HG13 VAL 33 -7.545 3.366 -3.388 282 HG21 VAL 33 HG21 VAL 33 -11.027 3.888 -4.869 283 HG22 VAL 33 HG22 VAL 33 -9.708 5.012 -4.529 284 HG23 VAL 33 HG23 VAL 33 -10.268 3.903 -3.276 285 H ASP 34 HN ASP 34 -9.929 2.997 -7.845 286 HA ASP 34 HA ASP 34 -10.103 5.764 -8.762 287 HB2 ASP 34 HB2 ASP 34 -11.269 3.239 -9.968 288 HB3 ASP 34 HB1 ASP 34 -11.315 4.841 -10.696 289 H ALA 35 HN ALA 35 -11.204 6.348 -6.757 290 HA ALA 35 HA ALA 35 -13.567 5.226 -5.830 291 HB1 ALA 35 HB1 ALA 35 -12.731 6.640 -4.272 292 HB2 ALA 35 HB2 ALA 35 -13.889 7.750 -5.014 293 HB3 ALA 35 HB3 ALA 35 -12.187 7.814 -5.474 294 H SER 36 HN SER 36 -13.063 7.581 -8.377 295 HA SER 36 HA SER 36 -15.692 8.424 -8.784 296 HB2 SER 36 HB2 SER 36 -13.647 7.922 -10.956 297 HB3 SER 36 HB1 SER 36 -14.956 9.103 -10.964 298 HG SER 36 HG SER 36 -13.821 10.407 -9.724 299 H ALA 37 HN ALA 37 -13.927 5.684 -10.191 300 HA ALA 37 HA ALA 37 -16.207 4.715 -11.653 301 HB1 ALA 37 HB1 ALA 37 -13.463 3.577 -11.133 302 HB2 ALA 37 HB2 ALA 37 -14.034 4.384 -12.596 303 HB3 ALA 37 HB3 ALA 37 -14.674 2.801 -12.158 304 H LEU 38 HN LEU 38 -14.800 4.221 -8.551 305 HA LEU 38 HA LEU 38 -15.997 1.630 -8.099 306 HB2 LEU 38 HB2 LEU 38 -14.391 3.498 -6.373 307 HB3 LEU 38 HB1 LEU 38 -15.019 1.971 -5.787 308 HG LEU 38 HG LEU 38 -13.196 2.154 -8.180 309 HD11 LEU 38 HD11 LEU 38 -12.511 1.931 -5.264 310 HD12 LEU 38 HD12 LEU 38 -11.905 3.082 -6.453 311 HD13 LEU 38 HD13 LEU 38 -11.432 1.388 -6.547 312 HD21 LEU 38 HD21 LEU 38 -13.873 -0.108 -6.310 313 HD22 LEU 38 HD22 LEU 38 -12.796 -0.191 -7.705 314 HD23 LEU 38 HD23 LEU 38 -14.518 0.105 -7.939 315 H GLY 39 HN GLY 39 -17.068 4.801 -7.891 316 HA2 GLY 39 HA2 GLY 39 -19.199 5.517 -7.288 317 HA3 GLY 39 HA1 GLY 39 -19.484 3.952 -6.542 318 H LEU 40 HN LEU 40 -16.572 5.282 -5.588 319 HA LEU 40 HA LEU 40 -17.620 5.813 -2.944 320 HB2 LEU 40 HB2 LEU 40 -14.743 5.934 -3.790 321 HB3 LEU 40 HB1 LEU 40 -15.397 5.602 -2.199 322 HG LEU 40 HG LEU 40 -15.375 3.767 -4.587 323 HD11 LEU 40 HD11 LEU 40 -13.349 3.459 -3.622 324 HD12 LEU 40 HD12 LEU 40 -14.295 2.337 -2.656 325 HD13 LEU 40 HD13 LEU 40 -13.903 3.930 -2.020 326 HD21 LEU 40 HD21 LEU 40 -16.786 3.420 -1.960 327 HD22 LEU 40 HD22 LEU 40 -16.498 2.124 -3.111 328 HD23 LEU 40 HD23 LEU 40 -17.517 3.490 -3.556 329 H HIS 41 HN HIS 41 -18.510 7.843 -2.881 330 HA HIS 41 HA HIS 41 -17.264 10.024 -4.342 331 HB2 HIS 41 HB2 HIS 41 -19.654 10.193 -2.501 332 HB3 HIS 41 HB1 HIS 41 -19.187 11.329 -3.751 333 HD1 HIS 41 HD1 HIS 41 -19.759 10.733 -6.194 334 HD2 HIS 41 HD2 HIS 41 -21.090 7.910 -3.423 335 HE1 HIS 41 HE1 HIS 41 -21.384 9.274 -7.431 336 HE2 HIS 41 HE2 HIS 41 -22.299 7.700 -5.698 337 H ASP 42 HN ASP 42 -16.736 8.662 -1.382 338 HA ASP 42 HA ASP 42 -16.012 11.235 -0.158 339 HB2 ASP 42 HB2 ASP 42 -17.370 8.868 1.094 340 HB3 ASP 42 HB1 ASP 42 -16.583 10.114 2.055 341 H TYR 43 HN TYR 43 -14.369 9.265 -1.651 342 HA TYR 43 HA TYR 43 -12.913 7.688 0.199 343 HB2 TYR 43 HB2 TYR 43 -13.020 7.097 -2.157 344 HB3 TYR 43 HB1 TYR 43 -12.235 8.600 -2.610 345 HD1 TYR 43 HD1 TYR 43 -11.736 5.357 -0.960 346 HD2 TYR 43 HD2 TYR 43 -9.850 8.787 -2.591 347 HE1 TYR 43 HE1 TYR 43 -9.579 4.199 -0.858 348 HE2 TYR 43 HE2 TYR 43 -7.680 7.636 -2.504 349 HH TYR 43 HH TYR 43 -6.665 5.714 -1.099 350 H HIS 44 HN HIS 44 -12.337 10.857 -1.259 351 HA HIS 44 HA HIS 44 -9.710 11.046 -0.086 352 HB2 HIS 44 HB2 HIS 44 -11.376 12.981 -1.681 353 HB3 HIS 44 HB1 HIS 44 -9.804 13.410 -1.016 354 HD1 HIS 44 HD1 HIS 44 -7.746 12.583 -2.250 355 HD2 HIS 44 HD2 HIS 44 -11.290 10.996 -3.737 356 HE1 HIS 44 HE1 HIS 44 -7.125 11.418 -4.391 357 HE2 HIS 44 HE2 HIS 44 -9.260 10.352 -5.200 358 H ASP 45 HN ASP 45 -12.713 11.366 1.189 359 HA ASP 45 HA ASP 45 -11.974 13.491 3.045 360 HB2 ASP 45 HB2 ASP 45 -14.531 11.995 2.539 361 HB3 ASP 45 HB1 ASP 45 -14.307 12.926 4.017 362 H ILE 46 HN ILE 46 -12.743 10.039 3.034 363 HA ILE 46 HA ILE 46 -12.194 9.717 5.829 364 HB ILE 46 HB ILE 46 -12.657 7.768 3.579 365 HG12 ILE 46 HG12 ILE 46 -14.512 7.050 5.092 366 HG13 ILE 46 HG11 ILE 46 -14.099 8.381 6.164 367 HG21 ILE 46 HG21 ILE 46 -11.236 6.373 4.663 368 HG22 ILE 46 HG22 ILE 46 -12.655 6.102 5.669 369 HG23 ILE 46 HG23 ILE 46 -11.398 7.219 6.199 370 HD11 ILE 46 HD11 ILE 46 -15.048 8.621 3.317 371 HD12 ILE 46 HD12 ILE 46 -14.613 9.965 4.372 372 HD13 ILE 46 HD13 ILE 46 -15.993 8.944 4.770 373 H ILE 47 HN ILE 47 -10.442 9.088 2.825 374 HA ILE 47 HA ILE 47 -8.071 8.283 4.317 375 HB ILE 47 HB ILE 47 -8.403 8.534 1.332 376 HG12 ILE 47 HG12 ILE 47 -10.023 6.928 2.428 377 HG13 ILE 47 HG11 ILE 47 -8.957 6.221 1.218 378 HG21 ILE 47 HG21 ILE 47 -6.514 6.823 1.425 379 HG22 ILE 47 HG22 ILE 47 -6.336 7.302 3.110 380 HG23 ILE 47 HG23 ILE 47 -6.122 8.492 1.829 381 HD11 ILE 47 HD11 ILE 47 -8.644 6.046 4.201 382 HD12 ILE 47 HD12 ILE 47 -7.537 5.369 3.009 383 HD13 ILE 47 HD13 ILE 47 -9.181 4.767 3.118 384 H LYS 48 HN LYS 48 -7.072 10.035 5.200 385 HA LYS 48 HA LYS 48 -6.813 12.486 3.672 386 HB2 LYS 48 HB2 LYS 48 -6.014 11.714 6.464 387 HB3 LYS 48 HB1 LYS 48 -5.557 13.247 5.743 388 HG2 LYS 48 HG2 LYS 48 -8.395 12.285 6.036 389 HG3 LYS 48 HG1 LYS 48 -7.587 13.384 7.156 390 HD2 LYS 48 HD2 LYS 48 -7.468 15.102 5.565 391 HD3 LYS 48 HD1 LYS 48 -7.743 13.995 4.224 392 HE2 LYS 48 HE2 LYS 48 -9.688 15.388 4.665 393 HE3 LYS 48 HE1 LYS 48 -10.013 13.673 4.887 394 HZ1 LYS 48 HZ1 LYS 48 -9.494 15.634 7.057 395 HZ2 LYS 48 HZ2 LYS 48 -9.805 13.988 7.280 396 HZ3 LYS 48 HZ3 LYS 48 -11.005 14.995 6.647 397 H HIS 49 HN HIS 49 -4.892 9.722 4.524 398 HA HIS 49 HA HIS 49 -2.618 10.885 3.044 399 HB2 HIS 49 HB2 HIS 49 -2.659 8.832 5.253 400 HB3 HIS 49 HB1 HIS 49 -1.246 9.112 4.243 401 HD1 HIS 49 HD1 HIS 49 -1.141 9.566 7.290 402 HD2 HIS 49 HD2 HIS 49 -1.972 12.563 4.526 403 HE1 HIS 49 HE1 HIS 49 -0.528 11.720 8.422 404 HE2 HIS 49 HE2 HIS 49 -1.172 13.521 6.789 405 HA PRO 50 HA PRO 50 -4.223 7.233 0.562 406 HB2 PRO 50 HB2 PRO 50 -4.548 8.515 -1.791 407 HB3 PRO 50 HB1 PRO 50 -5.813 8.480 -0.557 408 HG2 PRO 50 HG2 PRO 50 -3.813 10.635 -1.155 409 HG3 PRO 50 HG1 PRO 50 -5.558 10.777 -0.855 410 HD2 PRO 50 HD2 PRO 50 -3.723 11.274 1.074 411 HD3 PRO 50 HD1 PRO 50 -5.313 10.568 1.430 412 H MET 51 HN MET 51 -2.197 6.301 0.631 413 HA MET 51 HA MET 51 -0.338 7.244 -1.440 414 HB2 MET 51 HB2 MET 51 0.685 7.608 0.706 415 HB3 MET 51 HB1 MET 51 0.273 5.989 1.255 416 HG2 MET 51 HG2 MET 51 2.678 6.314 0.654 417 HG3 MET 51 HG1 MET 51 1.879 5.010 -0.233 418 HE1 MET 51 HE1 MET 51 2.926 8.748 -0.362 419 HE2 MET 51 HE2 MET 51 1.318 8.861 -1.067 420 HE3 MET 51 HE3 MET 51 2.744 9.160 -2.061 421 H ASP 52 HN ASP 52 0.755 5.677 -2.627 422 HA ASP 52 HA ASP 52 -0.269 2.937 -2.484 423 HB2 ASP 52 HB2 ASP 52 -0.654 2.930 -4.931 424 HB3 ASP 52 HB1 ASP 52 -1.701 4.092 -4.116 425 H LEU 53 HN LEU 53 1.064 1.455 -3.885 426 HA LEU 53 HA LEU 53 3.740 1.818 -3.091 427 HB2 LEU 53 HB2 LEU 53 2.372 -0.195 -4.826 428 HB3 LEU 53 HB1 LEU 53 4.111 -0.217 -4.626 429 HG LEU 53 HG LEU 53 2.200 -0.301 -2.309 430 HD11 LEU 53 HD11 LEU 53 1.936 -2.205 -3.882 431 HD12 LEU 53 HD12 LEU 53 2.435 -2.668 -2.261 432 HD13 LEU 53 HD13 LEU 53 3.611 -2.633 -3.577 433 HD21 LEU 53 HD21 LEU 53 4.387 0.415 -1.690 434 HD22 LEU 53 HD22 LEU 53 5.131 -0.910 -2.577 435 HD23 LEU 53 HD23 LEU 53 4.162 -1.240 -1.139 436 H SER 54 HN SER 54 2.181 2.329 -6.219 437 HA SER 54 HA SER 54 4.579 2.593 -7.699 438 HB2 SER 54 HB2 SER 54 3.263 3.387 -9.476 439 HB3 SER 54 HB1 SER 54 2.154 2.348 -8.588 440 HG SER 54 HG SER 54 1.352 4.270 -7.558 441 H THR 55 HN THR 55 2.625 4.953 -5.889 442 HA THR 55 HA THR 55 4.232 7.204 -6.615 443 HB THR 55 HB THR 55 2.454 7.004 -4.183 444 HG1 THR 55 HG1 THR 55 0.909 6.789 -5.653 445 HG21 THR 55 HG21 THR 55 4.096 8.908 -4.504 446 HG22 THR 55 HG22 THR 55 2.410 9.355 -4.254 447 HG23 THR 55 HG23 THR 55 3.107 9.401 -5.875 448 H VAL 56 HN VAL 56 4.231 4.911 -3.923 449 HA VAL 56 HA VAL 56 6.129 6.178 -2.301 450 HB VAL 56 HB VAL 56 5.742 3.213 -2.772 451 HG11 VAL 56 HG11 VAL 56 7.963 3.690 -1.838 452 HG12 VAL 56 HG12 VAL 56 6.922 2.889 -0.654 453 HG13 VAL 56 HG13 VAL 56 7.209 4.625 -0.540 454 HG21 VAL 56 HG21 VAL 56 3.789 4.508 -1.882 455 HG22 VAL 56 HG22 VAL 56 4.779 4.912 -0.480 456 HG23 VAL 56 HG23 VAL 56 4.375 3.229 -0.816 457 H LYS 57 HN LYS 57 6.485 3.950 -4.993 458 HA LYS 57 HA LYS 57 9.300 3.908 -5.027 459 HB2 LYS 57 HB2 LYS 57 7.273 2.571 -6.298 460 HB3 LYS 57 HB1 LYS 57 7.970 3.528 -7.595 461 HG2 LYS 57 HG2 LYS 57 10.093 2.554 -7.300 462 HG3 LYS 57 HG1 LYS 57 9.635 1.814 -5.792 463 HD2 LYS 57 HD2 LYS 57 8.077 0.371 -6.919 464 HD3 LYS 57 HD1 LYS 57 8.424 1.143 -8.456 465 HE2 LYS 57 HE2 LYS 57 10.259 -0.513 -6.740 466 HE3 LYS 57 HE1 LYS 57 9.653 -0.914 -8.344 467 HZ1 LYS 57 HZ1 LYS 57 10.922 0.959 -9.238 468 HZ2 LYS 57 HZ2 LYS 57 11.935 -0.153 -8.466 469 HZ3 LYS 57 HZ3 LYS 57 11.535 1.298 -7.699 470 H ARG 58 HN ARG 58 6.875 5.819 -6.730 471 HA ARG 58 HA ARG 58 8.484 7.290 -8.436 472 HB2 ARG 58 HB2 ARG 58 6.028 7.387 -8.389 473 HB3 ARG 58 HB1 ARG 58 6.091 8.251 -6.862 474 HG2 ARG 58 HG2 ARG 58 7.300 10.083 -7.980 475 HG3 ARG 58 HG1 ARG 58 7.115 9.242 -9.512 476 HD2 ARG 58 HD2 ARG 58 4.680 9.356 -9.265 477 HD3 ARG 58 HD1 ARG 58 4.888 10.207 -7.733 478 HE ARG 58 HE ARG 58 6.283 11.660 -9.630 479 HH11 ARG 58 HH11 ARG 58 2.961 10.732 -9.021 480 HH12 ARG 58 HH12 ARG 58 2.293 12.120 -9.819 481 HH21 ARG 58 HH21 ARG 58 5.418 13.474 -10.692 482 HH22 ARG 58 HH22 ARG 58 3.696 13.675 -10.795 483 H LYS 59 HN LYS 59 7.580 8.063 -5.095 484 HA LYS 59 HA LYS 59 9.189 10.400 -4.960 485 HB2 LYS 59 HB2 LYS 59 7.949 8.720 -2.780 486 HB3 LYS 59 HB1 LYS 59 8.727 10.277 -2.522 487 HG2 LYS 59 HG2 LYS 59 7.069 11.435 -3.706 488 HG3 LYS 59 HG1 LYS 59 6.436 9.954 -4.423 489 HD2 LYS 59 HD2 LYS 59 4.990 10.878 -2.624 490 HD3 LYS 59 HD1 LYS 59 5.541 9.232 -2.312 491 HE2 LYS 59 HE2 LYS 59 7.326 11.274 -1.217 492 HE3 LYS 59 HE1 LYS 59 5.690 11.351 -0.558 493 HZ1 LYS 59 HZ1 LYS 59 7.214 9.888 0.699 494 HZ2 LYS 59 HZ2 LYS 59 7.308 8.864 -0.642 495 HZ3 LYS 59 HZ3 LYS 59 5.829 9.089 0.144 496 H MET 60 HN MET 60 9.746 7.016 -4.238 497 HA MET 60 HA MET 60 12.290 7.317 -3.023 498 HB2 MET 60 HB2 MET 60 11.047 5.189 -2.944 499 HB3 MET 60 HB1 MET 60 11.226 5.019 -4.686 500 HG2 MET 60 HG2 MET 60 13.762 5.142 -4.179 501 HG3 MET 60 HG1 MET 60 13.273 4.739 -2.536 502 HE1 MET 60 HE1 MET 60 11.663 2.662 -2.023 503 HE2 MET 60 HE2 MET 60 11.329 1.366 -3.170 504 HE3 MET 60 HE3 MET 60 10.605 2.957 -3.400 505 H GLU 61 HN GLU 61 11.218 7.000 -6.382 506 HA GLU 61 HA GLU 61 13.791 6.922 -7.556 507 HB2 GLU 61 HB2 GLU 61 11.076 7.688 -8.601 508 HB3 GLU 61 HB1 GLU 61 12.509 7.793 -9.610 509 HG2 GLU 61 HG2 GLU 61 12.913 5.374 -9.147 510 HG3 GLU 61 HG1 GLU 61 11.351 5.333 -8.331 511 H ASN 62 HN ASN 62 11.768 9.524 -6.447 512 HA ASN 62 HA ASN 62 13.377 11.592 -7.646 513 HB2 ASN 62 HB2 ASN 62 11.157 11.635 -5.606 514 HB3 ASN 62 HB1 ASN 62 12.092 13.077 -5.982 515 HD21 ASN 62 HD21 ASN 62 11.215 10.619 -8.345 516 HD22 ASN 62 HD22 ASN 62 10.127 11.620 -9.240 517 H ARG 63 HN ARG 63 13.803 9.467 -5.245 518 HA ARG 63 HA ARG 63 15.182 9.196 -3.497 519 HB2 ARG 63 HB2 ARG 63 16.740 11.477 -4.707 520 HB3 ARG 63 HB1 ARG 63 17.363 10.183 -3.692 521 HG2 ARG 63 HG2 ARG 63 16.145 9.762 -6.413 522 HG3 ARG 63 HG1 ARG 63 17.879 9.911 -6.094 523 HD2 ARG 63 HD2 ARG 63 17.978 7.900 -4.951 524 HD3 ARG 63 HD1 ARG 63 16.246 7.876 -4.630 525 HE ARG 63 HE ARG 63 15.873 7.013 -6.752 526 HH11 ARG 63 HH11 ARG 63 19.252 7.869 -6.408 527 HH12 ARG 63 HH12 ARG 63 19.772 6.868 -7.725 528 HH21 ARG 63 HH21 ARG 63 16.554 5.709 -8.506 529 HH22 ARG 63 HH22 ARG 63 18.236 5.661 -8.933 530 H ASP 64 HN ASP 64 12.961 10.695 -3.019 531 HA ASP 64 HA ASP 64 13.731 12.998 -1.383 532 HB2 ASP 64 HB2 ASP 64 11.522 13.206 -2.366 533 HB3 ASP 64 HB1 ASP 64 11.060 11.603 -1.795 534 H TYR 65 HN TYR 65 13.196 9.674 -1.086 535 HA TYR 65 HA TYR 65 12.989 9.529 1.772 536 HB2 TYR 65 HB2 TYR 65 13.736 7.389 -0.236 537 HB3 TYR 65 HB1 TYR 65 13.385 7.106 1.463 538 HD1 TYR 65 HD1 TYR 65 11.615 5.554 1.053 539 HD2 TYR 65 HD2 TYR 65 11.439 9.462 -0.597 540 HE1 TYR 65 HE1 TYR 65 9.254 5.199 0.462 541 HE2 TYR 65 HE2 TYR 65 9.089 9.118 -1.166 542 HH TYR 65 HH TYR 65 7.643 6.844 -1.681 543 H ARG 66 HN ARG 66 14.586 9.154 3.257 544 HA ARG 66 HA ARG 66 17.342 9.175 2.214 545 HB2 ARG 66 HB2 ARG 66 16.246 10.142 4.851 546 HB3 ARG 66 HB1 ARG 66 17.962 10.055 4.470 547 HG2 ARG 66 HG2 ARG 66 15.882 11.772 3.140 548 HG3 ARG 66 HG1 ARG 66 17.225 12.303 4.150 549 HD2 ARG 66 HD2 ARG 66 17.387 11.035 1.420 550 HD3 ARG 66 HD1 ARG 66 17.767 12.702 1.839 551 HE ARG 66 HE ARG 66 19.314 10.554 3.088 552 HH11 ARG 66 HH11 ARG 66 19.161 13.246 0.854 553 HH12 ARG 66 HH12 ARG 66 20.882 13.333 0.658 554 HH21 ARG 66 HH21 ARG 66 21.562 10.648 2.801 555 HH22 ARG 66 HH22 ARG 66 22.246 11.854 1.754 556 H ASP 67 HN ASP 67 15.053 7.380 4.087 557 HA ASP 67 HA ASP 67 17.040 5.288 4.471 558 HB2 ASP 67 HB2 ASP 67 15.441 6.535 6.715 559 HB3 ASP 67 HB1 ASP 67 16.147 4.931 6.831 560 H ALA 68 HN ALA 68 15.962 3.240 5.125 561 HA ALA 68 HA ALA 68 13.704 2.827 3.414 562 HB1 ALA 68 HB1 ALA 68 15.021 0.942 5.350 563 HB2 ALA 68 HB2 ALA 68 15.457 1.139 3.651 564 HB3 ALA 68 HB3 ALA 68 13.873 0.495 4.088 565 H GLN 69 HN GLN 69 14.144 3.666 6.662 566 HA GLN 69 HA GLN 69 11.701 2.618 7.699 567 HB2 GLN 69 HB2 GLN 69 13.589 3.224 9.160 568 HB3 GLN 69 HB1 GLN 69 13.391 4.911 8.706 569 HG2 GLN 69 HG2 GLN 69 12.364 4.653 10.812 570 HG3 GLN 69 HG1 GLN 69 11.081 4.781 9.613 571 HE21 GLN 69 HE21 GLN 69 12.731 2.654 11.808 572 HE22 GLN 69 HE22 GLN 69 11.539 1.401 11.793 573 H GLU 70 HN GLU 70 12.717 5.533 6.095 574 HA GLU 70 HA GLU 70 10.281 6.954 6.361 575 HB2 GLU 70 HB2 GLU 70 12.516 7.183 4.340 576 HB3 GLU 70 HB1 GLU 70 11.166 8.306 4.464 577 HG2 GLU 70 HG2 GLU 70 11.856 8.926 6.703 578 HG3 GLU 70 HG1 GLU 70 13.167 7.750 6.643 579 H PHE 71 HN PHE 71 11.607 4.674 4.057 580 HA PHE 71 HA PHE 71 9.443 4.689 2.248 581 HB2 PHE 71 HB2 PHE 71 11.271 3.558 1.378 582 HB3 PHE 71 HB1 PHE 71 11.629 2.744 2.894 583 HD1 PHE 71 HD1 PHE 71 9.430 2.759 -0.052 584 HD2 PHE 71 HD2 PHE 71 10.664 0.620 3.407 585 HE1 PHE 71 HE1 PHE 71 8.258 0.754 -0.873 586 HE2 PHE 71 HE2 PHE 71 9.491 -1.382 2.596 587 HZ PHE 71 HZ PHE 71 8.291 -1.319 0.450 588 H ALA 72 HN ALA 72 10.208 2.566 4.997 589 HA ALA 72 HA ALA 72 7.939 1.022 5.022 590 HB1 ALA 72 HB1 ALA 72 9.586 2.018 7.342 591 HB2 ALA 72 HB2 ALA 72 9.791 0.509 6.454 592 HB3 ALA 72 HB3 ALA 72 8.364 0.750 7.461 593 H ALA 73 HN ALA 73 8.454 4.224 6.364 594 HA ALA 73 HA ALA 73 6.058 4.605 7.713 595 HB1 ALA 73 HB1 ALA 73 8.054 6.392 6.393 596 HB2 ALA 73 HB2 ALA 73 7.580 6.281 8.094 597 HB3 ALA 73 HB3 ALA 73 6.517 7.081 6.937 598 H ASP 74 HN ASP 74 6.854 5.260 4.307 599 HA ASP 74 HA ASP 74 4.303 6.316 3.650 600 HB2 ASP 74 HB2 ASP 74 6.832 5.754 2.306 601 HB3 ASP 74 HB1 ASP 74 5.439 5.469 1.282 602 H VAL 75 HN VAL 75 5.830 3.145 3.075 603 HA VAL 75 HA VAL 75 3.644 2.083 1.622 604 HB VAL 75 HB VAL 75 5.738 1.023 1.304 605 HG11 VAL 75 HG11 VAL 75 6.901 1.506 3.312 606 HG12 VAL 75 HG12 VAL 75 6.857 -0.249 3.146 607 HG13 VAL 75 HG13 VAL 75 5.764 0.558 4.270 608 HG21 VAL 75 HG21 VAL 75 5.263 -1.366 2.098 609 HG22 VAL 75 HG22 VAL 75 4.103 -0.598 1.011 610 HG23 VAL 75 HG23 VAL 75 3.758 -0.701 2.739 611 H ARG 76 HN ARG 76 4.501 1.920 5.069 612 HA ARG 76 HA ARG 76 2.423 0.102 5.731 613 HB2 ARG 76 HB2 ARG 76 2.937 0.524 8.005 614 HB3 ARG 76 HB1 ARG 76 4.460 0.592 7.144 615 HG2 ARG 76 HG2 ARG 76 4.388 3.029 7.168 616 HG3 ARG 76 HG1 ARG 76 2.843 2.981 8.014 617 HD2 ARG 76 HD2 ARG 76 4.807 3.416 9.482 618 HD3 ARG 76 HD1 ARG 76 3.855 2.016 9.946 619 HE ARG 76 HE ARG 76 5.800 0.943 8.405 620 HH11 ARG 76 HH11 ARG 76 5.842 3.088 11.164 621 HH12 ARG 76 HH12 ARG 76 7.373 2.519 11.749 622 HH21 ARG 76 HH21 ARG 76 7.801 0.152 9.195 623 HH22 ARG 76 HH22 ARG 76 8.496 0.852 10.624 624 H LEU 77 HN LEU 77 2.605 3.572 5.397 625 HA LEU 77 HA LEU 77 0.154 4.259 6.611 626 HB2 LEU 77 HB2 LEU 77 2.218 5.585 5.280 627 HB3 LEU 77 HB1 LEU 77 0.801 5.872 4.292 628 HG LEU 77 HG LEU 77 1.185 6.600 7.187 629 HD11 LEU 77 HD11 LEU 77 0.922 8.146 4.646 630 HD12 LEU 77 HD12 LEU 77 2.238 8.175 5.817 631 HD13 LEU 77 HD13 LEU 77 0.674 8.880 6.229 632 HD21 LEU 77 HD21 LEU 77 -1.299 6.555 5.506 633 HD22 LEU 77 HD22 LEU 77 -1.114 7.675 6.854 634 HD23 LEU 77 HD23 LEU 77 -1.053 5.938 7.139 635 H MET 78 HN MET 78 1.020 3.130 3.405 636 HA MET 78 HA MET 78 -1.467 3.526 2.164 637 HB2 MET 78 HB2 MET 78 0.409 3.088 0.780 638 HB3 MET 78 HB1 MET 78 0.781 1.594 1.630 639 HG2 MET 78 HG2 MET 78 -1.856 1.779 0.287 640 HG3 MET 78 HG1 MET 78 -0.416 1.636 -0.733 641 HE1 MET 78 HE1 MET 78 1.597 -0.111 0.731 642 HE2 MET 78 HE2 MET 78 1.080 -0.482 -0.909 643 HE3 MET 78 HE3 MET 78 1.113 -1.753 0.309 644 H PHE 79 HN PHE 79 -0.143 0.555 3.672 645 HA PHE 79 HA PHE 79 -2.505 -0.942 3.488 646 HB2 PHE 79 HB2 PHE 79 -0.351 -1.111 5.610 647 HB3 PHE 79 HB1 PHE 79 -1.607 -2.312 5.348 648 HD1 PHE 79 HD1 PHE 79 -1.701 -2.896 2.607 649 HD2 PHE 79 HD2 PHE 79 1.695 -1.831 4.940 650 HE1 PHE 79 HE1 PHE 79 -0.241 -4.076 1.016 651 HE2 PHE 79 HE2 PHE 79 3.156 -3.010 3.357 652 HZ PHE 79 HZ PHE 79 2.211 -4.121 1.381 653 H SER 80 HN SER 80 -1.471 1.423 5.872 654 HA SER 80 HA SER 80 -3.382 0.890 7.854 655 HB2 SER 80 HB2 SER 80 -1.994 3.497 7.181 656 HB3 SER 80 HB1 SER 80 -2.884 3.174 8.672 657 HG SER 80 HG SER 80 -0.597 1.749 7.750 658 H ASN 81 HN ASN 81 -3.465 3.304 5.203 659 HA ASN 81 HA ASN 81 -5.975 4.315 6.005 660 HB2 ASN 81 HB2 ASN 81 -6.026 5.589 3.975 661 HB3 ASN 81 HB1 ASN 81 -4.372 5.574 4.558 662 HD21 ASN 81 HD21 ASN 81 -2.798 4.787 3.281 663 HD22 ASN 81 HD22 ASN 81 -3.066 4.146 1.698 664 H CYS 82 HN CYS 82 -5.065 1.632 3.961 665 HA CYS 82 HA CYS 82 -7.545 1.096 2.773 666 HB2 CYS 82 HB2 CYS 82 -5.521 -0.932 3.772 667 HB3 CYS 82 HB1 CYS 82 -6.788 -1.230 2.590 668 HG CYS 82 HG CYS 82 -4.095 0.836 2.133 669 H TYR 83 HN TYR 83 -6.268 0.060 5.952 670 HA TYR 83 HA TYR 83 -8.585 -1.447 6.634 671 HB2 TYR 83 HB2 TYR 83 -6.485 -0.231 8.439 672 HB3 TYR 83 HB1 TYR 83 -7.755 -1.331 8.973 673 HD1 TYR 83 HD1 TYR 83 -7.682 -3.299 6.713 674 HD2 TYR 83 HD2 TYR 83 -4.512 -1.459 8.898 675 HE1 TYR 83 HE1 TYR 83 -6.238 -5.234 6.254 676 HE2 TYR 83 HE2 TYR 83 -3.085 -3.398 8.455 677 HH TYR 83 HH TYR 83 -3.126 -5.614 7.780 678 H LYS 84 HN LYS 84 -7.839 1.940 6.809 679 HA LYS 84 HA LYS 84 -9.782 2.538 8.818 680 HB2 LYS 84 HB2 LYS 84 -7.851 4.032 8.364 681 HB3 LYS 84 HB1 LYS 84 -8.561 4.438 6.796 682 HG2 LYS 84 HG2 LYS 84 -10.410 5.510 7.811 683 HG3 LYS 84 HG1 LYS 84 -10.005 4.870 9.401 684 HD2 LYS 84 HD2 LYS 84 -9.442 7.255 9.166 685 HD3 LYS 84 HD1 LYS 84 -8.026 6.257 9.492 686 HE2 LYS 84 HE2 LYS 84 -8.725 6.816 6.662 687 HE3 LYS 84 HE1 LYS 84 -8.027 8.120 7.616 688 HZ1 LYS 84 HZ1 LYS 84 -6.811 5.439 7.240 689 HZ2 LYS 84 HZ2 LYS 84 -6.146 6.710 8.129 690 HZ3 LYS 84 HZ3 LYS 84 -6.325 6.857 6.456 691 H TYR 85 HN TYR 85 -9.798 2.443 5.306 692 HA TYR 85 HA TYR 85 -12.401 3.672 5.165 693 HB2 TYR 85 HB2 TYR 85 -10.801 4.044 3.370 694 HB3 TYR 85 HB1 TYR 85 -10.766 2.320 3.001 695 HD1 TYR 85 HD1 TYR 85 -12.918 5.302 3.143 696 HD2 TYR 85 HD2 TYR 85 -12.476 1.393 1.525 697 HE1 TYR 85 HE1 TYR 85 -14.873 5.694 1.688 698 HE2 TYR 85 HE2 TYR 85 -14.412 1.770 0.065 699 HH TYR 85 HH TYR 85 -16.500 3.285 0.160 700 H ASN 86 HN ASN 86 -11.072 0.441 4.535 701 HA ASN 86 HA ASN 86 -13.748 -0.556 3.972 702 HB2 ASN 86 HB2 ASN 86 -11.063 -1.948 3.793 703 HB3 ASN 86 HB1 ASN 86 -12.600 -2.613 3.240 704 HD21 ASN 86 HD21 ASN 86 -10.101 -0.290 2.649 705 HD22 ASN 86 HD22 ASN 86 -10.568 0.112 1.033 706 HA PRO 87 HA PRO 87 -14.272 -2.276 8.074 707 HB2 PRO 87 HB2 PRO 87 -16.184 -4.120 7.289 708 HB3 PRO 87 HB1 PRO 87 -16.526 -2.450 7.747 709 HG2 PRO 87 HG2 PRO 87 -16.257 -3.660 5.033 710 HG3 PRO 87 HG1 PRO 87 -17.380 -2.408 5.601 711 HD2 PRO 87 HD2 PRO 87 -15.208 -1.815 4.130 712 HD3 PRO 87 HD1 PRO 87 -15.800 -0.730 5.404 713 HA PRO 88 HA PRO 88 -11.541 -5.639 8.303 714 HB2 PRO 88 HB2 PRO 88 -12.921 -7.306 10.065 715 HB3 PRO 88 HB1 PRO 88 -11.840 -5.986 10.514 716 HG2 PRO 88 HG2 PRO 88 -14.814 -6.032 10.351 717 HG3 PRO 88 HG1 PRO 88 -13.763 -5.188 11.501 718 HD2 PRO 88 HD2 PRO 88 -14.980 -3.877 9.513 719 HD3 PRO 88 HD1 PRO 88 -13.334 -3.450 10.026 720 H ASP 89 HN ASP 89 -14.813 -6.326 7.436 721 HA ASP 89 HA ASP 89 -13.975 -8.883 6.248 722 HB2 ASP 89 HB2 ASP 89 -16.794 -7.830 6.702 723 HB3 ASP 89 HB1 ASP 89 -16.386 -9.359 5.940 724 H HIS 90 HN HIS 90 -12.810 -7.703 4.596 725 HA HIS 90 HA HIS 90 -14.487 -7.303 2.293 726 HB2 HIS 90 HB2 HIS 90 -14.212 -5.027 3.632 727 HB3 HIS 90 HB1 HIS 90 -12.647 -5.013 2.840 728 HD1 HIS 90 HD1 HIS 90 -12.585 -4.713 0.292 729 HD2 HIS 90 HD2 HIS 90 -16.424 -4.555 1.849 730 HE1 HIS 90 HE1 HIS 90 -14.021 -3.832 -1.553 731 HE2 HIS 90 HE2 HIS 90 -16.357 -3.971 -0.656 732 H ASP 91 HN ASP 91 -13.248 -7.221 0.312 733 HA ASP 91 HA ASP 91 -11.125 -8.995 0.251 734 HB2 ASP 91 HB2 ASP 91 -11.902 -6.902 -1.785 735 HB3 ASP 91 HB1 ASP 91 -10.779 -8.222 -2.092 736 H VAL 92 HN VAL 92 -10.974 -5.446 0.147 737 HA VAL 92 HA VAL 92 -8.243 -5.301 -0.515 738 HB VAL 92 HB VAL 92 -9.160 -3.015 1.036 739 HG11 VAL 92 HG11 VAL 92 -7.224 -3.109 -0.530 740 HG12 VAL 92 HG12 VAL 92 -8.347 -1.785 -0.830 741 HG13 VAL 92 HG13 VAL 92 -8.377 -3.218 -1.857 742 HG21 VAL 92 HG21 VAL 92 -11.343 -3.691 0.272 743 HG22 VAL 92 HG22 VAL 92 -10.754 -3.847 -1.380 744 HG23 VAL 92 HG23 VAL 92 -10.823 -2.259 -0.613 745 H VAL 93 HN VAL 93 -9.877 -5.557 2.581 746 HA VAL 93 HA VAL 93 -7.529 -4.822 4.060 747 HB VAL 93 HB VAL 93 -8.723 -5.392 6.069 748 HG11 VAL 93 HG11 VAL 93 -10.707 -4.171 4.159 749 HG12 VAL 93 HG12 VAL 93 -9.338 -3.304 4.862 750 HG13 VAL 93 HG13 VAL 93 -10.615 -3.930 5.906 751 HG21 VAL 93 HG21 VAL 93 -10.855 -6.616 4.329 752 HG22 VAL 93 HG22 VAL 93 -10.912 -6.444 6.083 753 HG23 VAL 93 HG23 VAL 93 -9.716 -7.506 5.340 754 H ALA 94 HN ALA 94 -9.058 -7.797 3.007 755 HA ALA 94 HA ALA 94 -7.346 -9.566 4.415 756 HB1 ALA 94 HB1 ALA 94 -8.893 -10.037 1.869 757 HB2 ALA 94 HB2 ALA 94 -9.501 -10.277 3.506 758 HB3 ALA 94 HB3 ALA 94 -8.184 -11.280 2.898 759 H MET 95 HN MET 95 -7.255 -8.135 1.187 760 HA MET 95 HA MET 95 -4.865 -9.440 0.373 761 HB2 MET 95 HB2 MET 95 -6.176 -6.898 -0.612 762 HB3 MET 95 HB1 MET 95 -4.771 -7.633 -1.373 763 HG2 MET 95 HG2 MET 95 -6.148 -9.707 -1.706 764 HG3 MET 95 HG1 MET 95 -7.542 -8.790 -1.131 765 HE1 MET 95 HE1 MET 95 -8.205 -6.448 -2.228 766 HE2 MET 95 HE2 MET 95 -9.175 -7.741 -2.924 767 HE3 MET 95 HE3 MET 95 -8.490 -6.498 -3.965 768 H ALA 96 HN ALA 96 -5.562 -6.469 2.116 769 HA ALA 96 HA ALA 96 -2.932 -5.410 2.078 770 HB1 ALA 96 HB1 ALA 96 -4.689 -3.934 2.661 771 HB2 ALA 96 HB2 ALA 96 -3.698 -4.130 4.106 772 HB3 ALA 96 HB3 ALA 96 -5.234 -4.985 3.969 773 H ARG 97 HN ARG 97 -4.657 -7.565 4.268 774 HA ARG 97 HA ARG 97 -2.713 -7.770 6.267 775 HB2 ARG 97 HB2 ARG 97 -4.851 -9.690 5.361 776 HB3 ARG 97 HB1 ARG 97 -3.818 -10.003 6.750 777 HG2 ARG 97 HG2 ARG 97 -4.653 -8.068 7.884 778 HG3 ARG 97 HG1 ARG 97 -5.566 -7.573 6.457 779 HD2 ARG 97 HD2 ARG 97 -6.961 -9.540 6.633 780 HD3 ARG 97 HD1 ARG 97 -6.009 -10.125 7.997 781 HE ARG 97 HE ARG 97 -6.925 -7.600 8.678 782 HH11 ARG 97 HH11 ARG 97 -8.336 -10.691 7.857 783 HH12 ARG 97 HH12 ARG 97 -9.697 -10.491 8.915 784 HH21 ARG 97 HH21 ARG 97 -8.709 -7.324 10.059 785 HH22 ARG 97 HH22 ARG 97 -9.913 -8.572 10.169 786 H LYS 98 HN LYS 98 -3.249 -9.786 3.394 787 HA LYS 98 HA LYS 98 -1.184 -11.626 4.009 788 HB2 LYS 98 HB2 LYS 98 -3.092 -12.113 2.515 789 HB3 LYS 98 HB1 LYS 98 -2.432 -11.002 1.329 790 HG2 LYS 98 HG2 LYS 98 -0.424 -12.424 1.166 791 HG3 LYS 98 HG1 LYS 98 -1.157 -13.542 2.310 792 HD2 LYS 98 HD2 LYS 98 -3.018 -13.905 0.757 793 HD3 LYS 98 HD1 LYS 98 -2.260 -12.801 -0.394 794 HE2 LYS 98 HE2 LYS 98 -1.813 -15.143 -0.947 795 HE3 LYS 98 HE1 LYS 98 -0.343 -14.248 -0.573 796 HZ1 LYS 98 HZ1 LYS 98 -0.334 -16.420 0.469 797 HZ2 LYS 98 HZ2 LYS 98 -1.778 -16.074 1.277 798 HZ3 LYS 98 HZ3 LYS 98 -0.373 -15.210 1.648 799 H LEU 99 HN LEU 99 -1.300 -8.843 1.800 800 HA LEU 99 HA LEU 99 1.406 -8.921 1.047 801 HB2 LEU 99 HB2 LEU 99 -0.749 -6.904 0.950 802 HB3 LEU 99 HB1 LEU 99 0.878 -6.299 0.895 803 HG LEU 99 HG LEU 99 -0.690 -7.571 -1.200 804 HD11 LEU 99 HD11 LEU 99 1.906 -6.107 -1.353 805 HD12 LEU 99 HD12 LEU 99 0.364 -5.283 -1.121 806 HD13 LEU 99 HD13 LEU 99 0.652 -6.228 -2.584 807 HD21 LEU 99 HD21 LEU 99 2.215 -8.318 -1.065 808 HD22 LEU 99 HD22 LEU 99 1.013 -8.826 -2.250 809 HD23 LEU 99 HD23 LEU 99 0.924 -9.431 -0.599 810 H GLN 100 HN GLN 100 -0.181 -7.656 3.904 811 HA GLN 100 HA GLN 100 1.973 -6.165 4.923 812 HB2 GLN 100 HB2 GLN 100 -0.273 -6.068 5.941 813 HB3 GLN 100 HB1 GLN 100 -0.153 -7.759 6.403 814 HG2 GLN 100 HG2 GLN 100 1.800 -7.115 7.860 815 HG3 GLN 100 HG1 GLN 100 1.381 -5.430 7.536 816 HE21 GLN 100 HE21 GLN 100 1.407 -6.906 10.036 817 HE22 GLN 100 HE22 GLN 100 -0.193 -6.796 10.682 818 H ASP 101 HN ASP 101 1.157 -9.604 5.115 819 HA ASP 101 HA ASP 101 3.151 -10.460 6.859 820 HB2 ASP 101 HB2 ASP 101 1.742 -11.817 4.580 821 HB3 ASP 101 HB1 ASP 101 3.050 -12.636 5.425 822 H VAL 102 HN VAL 102 3.288 -10.449 3.284 823 HA VAL 102 HA VAL 102 5.966 -11.258 3.129 824 HB VAL 102 HB VAL 102 4.774 -11.458 1.121 825 HG11 VAL 102 HG11 VAL 102 3.851 -9.485 -0.089 826 HG12 VAL 102 HG12 VAL 102 4.072 -8.567 1.397 827 HG13 VAL 102 HG13 VAL 102 2.993 -9.961 1.372 828 HG21 VAL 102 HG21 VAL 102 6.147 -9.111 0.094 829 HG22 VAL 102 HG22 VAL 102 6.389 -10.823 -0.278 830 HG23 VAL 102 HG23 VAL 102 7.161 -10.111 1.140 831 H PHE 103 HN PHE 103 4.689 -7.936 2.809 832 HA PHE 103 HA PHE 103 7.130 -6.635 2.587 833 HB2 PHE 103 HB2 PHE 103 5.391 -5.250 2.089 834 HB3 PHE 103 HB1 PHE 103 4.403 -5.793 3.436 835 HD1 PHE 103 HD1 PHE 103 7.598 -3.981 2.795 836 HD2 PHE 103 HD2 PHE 103 4.103 -4.297 5.226 837 HE1 PHE 103 HE1 PHE 103 8.301 -2.004 4.072 838 HE2 PHE 103 HE2 PHE 103 4.811 -2.320 6.496 839 HZ PHE 103 HZ PHE 103 6.910 -1.171 5.923 840 H GLU 104 HN GLU 104 5.510 -7.756 5.520 841 HA GLU 104 HA GLU 104 7.105 -6.246 7.301 842 HB2 GLU 104 HB2 GLU 104 5.027 -6.935 8.135 843 HB3 GLU 104 HB1 GLU 104 5.237 -8.582 7.555 844 HG2 GLU 104 HG2 GLU 104 5.427 -8.570 9.925 845 HG3 GLU 104 HG1 GLU 104 6.998 -8.894 9.197 846 H PHE 105 HN PHE 105 7.176 -9.621 6.166 847 HA PHE 105 HA PHE 105 9.447 -10.414 7.628 848 HB2 PHE 105 HB2 PHE 105 8.155 -11.431 5.118 849 HB3 PHE 105 HB1 PHE 105 9.690 -12.098 5.656 850 HD1 PHE 105 HD1 PHE 105 6.167 -12.280 5.943 851 HD2 PHE 105 HD2 PHE 105 9.781 -12.983 8.072 852 HE1 PHE 105 HE1 PHE 105 4.974 -13.806 7.457 853 HE2 PHE 105 HE2 PHE 105 8.595 -14.510 9.592 854 HZ PHE 105 HZ PHE 105 6.188 -14.923 9.284 855 H ARG 106 HN ARG 106 9.097 -8.699 4.600 856 HA ARG 106 HA ARG 106 11.764 -9.028 3.719 857 HB2 ARG 106 HB2 ARG 106 9.767 -6.855 3.072 858 HB3 ARG 106 HB1 ARG 106 11.263 -7.145 2.207 859 HG2 ARG 106 HG2 ARG 106 8.898 -8.989 2.372 860 HG3 ARG 106 HG1 ARG 106 9.409 -8.045 0.973 861 HD2 ARG 106 HD2 ARG 106 11.482 -9.324 0.856 862 HD3 ARG 106 HD1 ARG 106 10.994 -10.258 2.273 863 HE ARG 106 HE ARG 106 9.434 -10.250 -0.230 864 HH11 ARG 106 HH11 ARG 106 11.085 -12.005 2.331 865 HH12 ARG 106 HH12 ARG 106 10.480 -13.549 1.819 866 HH21 ARG 106 HH21 ARG 106 8.667 -12.257 -0.899 867 HH22 ARG 106 HH22 ARG 106 9.117 -13.700 -0.032 868 H TYR 107 HN TYR 107 10.109 -6.356 5.390 869 HA TYR 107 HA TYR 107 12.480 -4.815 5.676 870 HB2 TYR 107 HB2 TYR 107 10.107 -3.919 5.825 871 HB3 TYR 107 HB1 TYR 107 10.042 -4.598 7.451 872 HD1 TYR 107 HD1 TYR 107 11.254 -1.863 5.402 873 HD2 TYR 107 HD2 TYR 107 11.584 -3.725 9.215 874 HE1 TYR 107 HE1 TYR 107 12.346 0.150 6.288 875 HE2 TYR 107 HE2 TYR 107 12.666 -1.709 10.109 876 HH TYR 107 HH TYR 107 14.123 0.264 8.948 877 H ALA 108 HN ALA 108 10.959 -7.318 7.590 878 HA ALA 108 HA ALA 108 12.457 -6.971 9.962 879 HB1 ALA 108 HB1 ALA 108 10.397 -8.309 9.825 880 HB2 ALA 108 HB2 ALA 108 11.737 -9.205 10.541 881 HB3 ALA 108 HB3 ALA 108 11.262 -9.514 8.872 882 H LYS 109 HN LYS 109 13.054 -8.756 6.988 883 HA LYS 109 HA LYS 109 15.508 -9.935 7.932 884 HB2 LYS 109 HB2 LYS 109 13.793 -10.333 5.742 885 HB3 LYS 109 HB1 LYS 109 15.296 -9.743 5.054 886 HG2 LYS 109 HG2 LYS 109 15.439 -12.093 5.061 887 HG3 LYS 109 HG1 LYS 109 16.497 -11.513 6.351 888 HD2 LYS 109 HD2 LYS 109 15.247 -13.429 7.128 889 HD3 LYS 109 HD1 LYS 109 14.697 -11.991 7.983 890 HE2 LYS 109 HE2 LYS 109 12.741 -11.848 6.570 891 HE3 LYS 109 HE1 LYS 109 13.314 -13.190 5.585 892 HZ1 LYS 109 HZ1 LYS 109 12.492 -13.315 8.431 893 HZ2 LYS 109 HZ2 LYS 109 13.164 -14.604 7.573 894 HZ3 LYS 109 HZ3 LYS 109 11.667 -13.972 7.109 895 H MET 110 HN MET 110 14.511 -6.967 6.670 896 HA MET 110 HA MET 110 17.042 -6.178 5.536 897 HB2 MET 110 HB2 MET 110 15.136 -5.257 4.461 898 HB3 MET 110 HB1 MET 110 14.409 -4.777 5.985 899 HG2 MET 110 HG2 MET 110 16.990 -3.549 5.173 900 HG3 MET 110 HG1 MET 110 15.500 -3.014 4.404 901 HE1 MET 110 HE1 MET 110 16.091 -0.633 5.241 902 HE2 MET 110 HE2 MET 110 17.496 -1.130 6.187 903 HE3 MET 110 HE3 MET 110 16.233 -0.150 6.933 904 HA PRO 111 HA PRO 111 18.388 -4.427 9.446 905 HB2 PRO 111 HB2 PRO 111 20.968 -4.154 8.817 906 HB3 PRO 111 HB1 PRO 111 20.261 -5.734 9.167 907 HG2 PRO 111 HG2 PRO 111 21.056 -4.553 6.565 908 HG3 PRO 111 HG1 PRO 111 21.033 -6.250 7.068 909 HD2 PRO 111 HD2 PRO 111 19.084 -4.894 5.516 910 HD3 PRO 111 HD1 PRO 111 18.966 -6.538 6.195 911 H ASP 112 HN ASP 112 18.801 -2.379 10.144 912 HA ASP 112 HA ASP 112 18.675 -0.264 8.121 913 HB2 ASP 112 HB2 ASP 112 18.269 -0.140 11.123 914 HB3 ASP 112 HB1 ASP 112 18.119 1.224 10.029 915 H1 HIS 281 HT1 HIS 281 -26.372 9.641 8.434 916 H2 HIS 281 HT2 HIS 281 -26.829 10.239 6.925 917 H3 HIS 281 HT3 HIS 281 -25.328 10.659 7.584 918 HA HIS 281 HA HIS 281 -26.156 7.939 6.760 919 HB2 HIS 281 HB2 HIS 281 -24.214 9.895 5.506 920 HB3 HIS 281 HB1 HIS 281 -24.395 8.216 5.015 921 HD1 HIS 281 HD1 HIS 281 -25.777 11.570 4.488 922 HD2 HIS 281 HD2 HIS 281 -26.951 7.643 3.784 923 HE1 HIS 281 HE1 HIS 281 -27.676 11.715 2.847 924 HE2 HIS 281 HE2 HIS 281 -28.292 9.325 2.346 925 H ASN 282 HN ASN 282 -25.514 7.504 9.069 926 HA ASN 282 HA ASN 282 -22.715 7.774 9.714 927 HB2 ASN 282 HB2 ASN 282 -25.081 6.584 11.133 928 HB3 ASN 282 HB1 ASN 282 -23.445 6.311 11.725 929 HD21 ASN 282 HD21 ASN 282 -22.279 8.020 12.572 930 HD22 ASN 282 HD22 ASN 282 -23.025 9.518 13.014 931 H LEU 283 HN LEU 283 -22.390 6.530 7.560 932 HA LEU 283 HA LEU 283 -21.336 3.976 8.296 933 HB2 LEU 283 HB2 LEU 283 -22.553 2.560 6.852 934 HB3 LEU 283 HB1 LEU 283 -23.755 3.468 7.741 935 HG LEU 283 HG LEU 283 -22.890 4.145 4.927 936 HD11 LEU 283 HD11 LEU 283 -23.920 1.946 4.968 937 HD12 LEU 283 HD12 LEU 283 -24.998 3.121 4.220 938 HD13 LEU 283 HD13 LEU 283 -25.287 2.586 5.875 939 HD21 LEU 283 HD21 LEU 283 -24.944 5.467 4.885 940 HD22 LEU 283 HD22 LEU 283 -23.854 6.020 6.156 941 HD23 LEU 283 HD23 LEU 283 -25.258 5.038 6.566 942 H LEU 284 HN LEU 284 -19.913 3.141 6.654 943 HA LEU 284 HA LEU 284 -19.207 5.164 4.645 944 HB2 LEU 284 HB2 LEU 284 -17.535 3.010 5.938 945 HB3 LEU 284 HB1 LEU 284 -16.997 3.957 4.566 946 HG LEU 284 HG LEU 284 -17.657 5.030 7.308 947 HD11 LEU 284 HD11 LEU 284 -15.034 4.774 5.848 948 HD12 LEU 284 HD12 LEU 284 -15.554 3.802 7.224 949 HD13 LEU 284 HD13 LEU 284 -15.273 5.530 7.425 950 HD21 LEU 284 HD21 LEU 284 -16.775 7.159 6.418 951 HD22 LEU 284 HD22 LEU 284 -18.276 6.653 5.645 952 HD23 LEU 284 HD23 LEU 284 -16.738 6.437 4.809 953 H ARG 285 HN ARG 285 -19.209 4.680 2.556 954 HA ARG 285 HA ARG 285 -20.523 2.364 1.585 955 HB2 ARG 285 HB2 ARG 285 -18.757 4.278 0.044 956 HB3 ARG 285 HB1 ARG 285 -20.006 3.232 -0.617 957 HG2 ARG 285 HG2 ARG 285 -21.731 4.518 0.397 958 HG3 ARG 285 HG1 ARG 285 -20.562 5.449 1.331 959 HD2 ARG 285 HD2 ARG 285 -21.304 6.770 -0.518 960 HD3 ARG 285 HD1 ARG 285 -19.618 6.318 -0.759 961 HE ARG 285 HE ARG 285 -20.317 4.784 -2.451 962 HH11 ARG 285 HH11 ARG 285 -22.903 6.787 -1.196 963 HH12 ARG 285 HH12 ARG 285 -23.924 6.556 -2.579 964 HH21 ARG 285 HH21 ARG 285 -21.663 4.481 -4.281 965 HH22 ARG 285 HH22 ARG 285 -23.218 5.251 -4.338 966 H ILE 286 HN ILE 286 -19.653 0.498 0.649 967 HA ILE 286 HA ILE 286 -16.876 0.037 1.373 968 HB ILE 286 HB ILE 286 -17.282 -2.324 0.823 969 HG12 ILE 286 HG12 ILE 286 -20.101 -1.386 0.245 970 HG13 ILE 286 HG11 ILE 286 -18.978 -2.107 -0.903 971 HG21 ILE 286 HG21 ILE 286 -18.821 -2.771 2.694 972 HG22 ILE 286 HG22 ILE 286 -19.261 -1.063 2.710 973 HG23 ILE 286 HG23 ILE 286 -17.608 -1.550 3.080 974 HD11 ILE 286 HD11 ILE 286 -19.001 -4.157 0.588 975 HD12 ILE 286 HD12 ILE 286 -20.472 -3.815 -0.325 976 HD13 ILE 286 HD13 ILE 286 -20.388 -3.421 1.392 977 HH31 ALY 287 HH1 ALY 287 -6.877 1.170 -1.210 978 HH32 ALY 287 HH2 ALY 287 -6.940 2.462 -0.005 979 HH33 ALY 287 HH3 ALY 287 -6.937 0.775 0.512 980 HZ ALY 287 HZ1 ALY 287 -8.827 0.527 -2.068 981 HE3 ALY 287 HE2 ALY 287 -11.210 1.807 -1.784 982 HE2 ALY 287 HE1 ALY 287 -11.286 0.480 -0.623 983 HD3 ALY 287 HD2 ALY 287 -10.973 -1.140 -2.349 984 HD2 ALY 287 HD1 ALY 287 -10.630 0.115 -3.539 985 HG3 ALY 287 HG2 ALY 287 -12.903 -0.793 -3.765 986 HG2 ALY 287 HG1 ALY 287 -12.906 0.929 -3.383 987 HB3 ALY 287 HB2 ALY 287 -13.277 0.365 -1.016 988 HB2 ALY 287 HB1 ALY 287 -13.365 -1.329 -1.456 989 HCA ALY 287 HA ALY 287 -15.222 0.768 -2.537 990 H ALY 287 HN ALY 287 -15.256 -0.309 0.026 991 H GLN 288 HN GLN 288 -15.515 -0.044 -4.544 992 HA GLN 288 HA GLN 288 -16.999 -2.511 -4.728 993 HB2 GLN 288 HB2 GLN 288 -17.626 -0.383 -5.900 994 HB3 GLN 288 HB1 GLN 288 -16.212 -0.586 -6.920 995 HG2 GLN 288 HG2 GLN 288 -17.120 -2.665 -7.791 996 HG3 GLN 288 HG1 GLN 288 -18.530 -2.495 -6.742 997 HE21 GLN 288 HE21 GLN 288 -20.070 -0.937 -7.208 998 HE22 GLN 288 HE22 GLN 288 -20.155 -0.155 -8.749 999 H PHE 289 HN PHE 289 -14.843 -3.548 -3.972 1000 HA PHE 289 HA PHE 289 -13.133 -4.182 -6.279 1001 HB2 PHE 289 HB2 PHE 289 -12.656 -4.078 -3.339 1002 HB3 PHE 289 HB1 PHE 289 -11.751 -5.266 -4.270 1003 HD1 PHE 289 HD1 PHE 289 -12.596 -2.287 -6.086 1004 HD2 PHE 289 HD2 PHE 289 -9.757 -3.990 -3.412 1005 HE1 PHE 289 HE1 PHE 289 -10.956 -0.574 -6.738 1006 HE2 PHE 289 HE2 PHE 289 -8.122 -2.267 -4.050 1007 HZ PHE 289 HZ PHE 289 -8.717 -0.560 -5.717 1008 H LEU 290 HN LEU 290 -15.488 -5.373 -6.464 1009 HA LEU 290 HA LEU 290 -14.854 -8.164 -5.832 1010 HB2 LEU 290 HB2 LEU 290 -17.191 -8.677 -5.462 1011 HB3 LEU 290 HB1 LEU 290 -16.659 -7.446 -4.340 1012 HG LEU 290 HG LEU 290 -18.171 -6.751 -6.853 1013 HD11 LEU 290 HD11 LEU 290 -20.201 -6.721 -5.499 1014 HD12 LEU 290 HD12 LEU 290 -19.301 -7.354 -4.121 1015 HD13 LEU 290 HD13 LEU 290 -19.510 -8.341 -5.568 1016 HD21 LEU 290 HD21 LEU 290 -17.012 -4.911 -5.737 1017 HD22 LEU 290 HD22 LEU 290 -17.799 -5.327 -4.216 1018 HD23 LEU 290 HD23 LEU 290 -18.759 -4.744 -5.575 1019 H GLN 291 HN GLN 291 -16.061 -9.696 -7.322 1020 HA GLN 291 HA GLN 291 -15.280 -9.099 -9.939 1021 HB2 GLN 291 HB2 GLN 291 -15.541 -11.389 -8.973 1022 HB3 GLN 291 HB1 GLN 291 -17.284 -11.197 -9.093 1023 HG2 GLN 291 HG2 GLN 291 -16.517 -12.483 -10.953 1024 HG3 GLN 291 HG1 GLN 291 -17.043 -10.905 -11.533 1025 HE21 GLN 291 HE21 GLN 291 -15.809 -11.000 -13.385 1026 HE22 GLN 291 HE22 GLN 291 -14.085 -10.886 -13.371 1027 H SER 292 HN SER 292 -18.579 -9.371 -8.618 1028 HA SER 292 HA SER 292 -19.470 -7.576 -10.768 1029 HB2 SER 292 HB2 SER 292 -20.126 -9.980 -11.166 1030 HB3 SER 292 HB1 SER 292 -21.079 -9.902 -9.685 1031 HG SER 292 HG SER 292 -21.449 -8.016 -11.753 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 21.826 12.615 -3.534 2 H2 GLY 1 HT2 GLY 1 21.415 13.596 -4.848 3 H3 GLY 1 HT3 GLY 1 22.699 12.507 -4.978 4 HA2 GLY 1 HA1 GLY 1 19.840 11.801 -4.660 5 HA3 GLY 1 HA2 GLY 1 20.782 11.652 -6.137 6 H LYS 2 HN LYS 2 20.896 9.527 -6.467 7 HA LYS 2 HA LYS 2 21.531 7.371 -6.264 8 HB2 LYS 2 HB2 LYS 2 23.131 8.445 -3.954 9 HB3 LYS 2 HB1 LYS 2 23.180 6.764 -4.465 10 HG2 LYS 2 HG2 LYS 2 23.909 9.126 -6.179 11 HG3 LYS 2 HG1 LYS 2 25.049 8.055 -5.360 12 HD2 LYS 2 HD2 LYS 2 24.112 6.155 -6.644 13 HD3 LYS 2 HD1 LYS 2 23.084 7.291 -7.518 14 HE2 LYS 2 HE2 LYS 2 25.085 8.452 -8.335 15 HE3 LYS 2 HE1 LYS 2 26.098 7.288 -7.480 16 HZ1 LYS 2 HZ1 LYS 2 25.082 5.527 -8.834 17 HZ2 LYS 2 HZ2 LYS 2 25.914 6.659 -9.771 18 HZ3 LYS 2 HZ3 LYS 2 24.227 6.697 -9.705 19 H LEU 3 HN LEU 3 21.333 5.427 -4.928 20 HA LEU 3 HA LEU 3 19.333 5.743 -2.790 21 HB2 LEU 3 HB2 LEU 3 19.646 3.599 -4.891 22 HB3 LEU 3 HB1 LEU 3 18.716 3.342 -3.422 23 HG LEU 3 HG LEU 3 18.099 5.495 -5.443 24 HD11 LEU 3 HD11 LEU 3 16.948 2.735 -5.051 25 HD12 LEU 3 HD12 LEU 3 17.758 3.366 -6.487 26 HD13 LEU 3 HD13 LEU 3 16.182 4.001 -6.015 27 HD21 LEU 3 HD21 LEU 3 17.335 5.908 -3.107 28 HD22 LEU 3 HD22 LEU 3 16.443 4.390 -3.176 29 HD23 LEU 3 HD23 LEU 3 16.013 5.714 -4.256 30 H SER 4 HN SER 4 20.332 5.455 -0.910 31 HA SER 4 HA SER 4 22.765 4.078 -0.576 32 HB2 SER 4 HB2 SER 4 20.743 4.729 1.576 33 HB3 SER 4 HB1 SER 4 22.484 4.512 1.769 34 HG SER 4 HG SER 4 21.783 6.732 1.703 35 H GLU 5 HN GLU 5 22.801 2.333 1.365 36 HA GLU 5 HA GLU 5 21.916 -0.053 0.250 37 HB2 GLU 5 HB2 GLU 5 22.656 0.594 3.103 38 HB3 GLU 5 HB1 GLU 5 22.307 -1.036 2.553 39 HG2 GLU 5 HG2 GLU 5 24.657 -0.781 2.591 40 HG3 GLU 5 HG1 GLU 5 24.157 -0.796 0.903 41 H GLN 6 HN GLN 6 20.491 1.796 2.914 42 HA GLN 6 HA GLN 6 18.336 0.047 3.406 43 HB2 GLN 6 HB2 GLN 6 18.809 2.961 4.012 44 HB3 GLN 6 HB1 GLN 6 17.281 2.187 4.411 45 HG2 GLN 6 HG2 GLN 6 18.986 2.357 6.266 46 HG3 GLN 6 HG1 GLN 6 18.281 0.766 5.989 47 HE21 GLN 6 HE21 GLN 6 19.586 -0.866 5.083 48 HE22 GLN 6 HE22 GLN 6 21.310 -0.751 5.086 49 H LEU 7 HN LEU 7 18.670 2.839 1.248 50 HA LEU 7 HA LEU 7 15.906 2.769 0.475 51 HB2 LEU 7 HB2 LEU 7 18.245 4.276 -0.704 52 HB3 LEU 7 HB1 LEU 7 16.579 4.488 -1.205 53 HG LEU 7 HG LEU 7 17.537 4.985 1.601 54 HD11 LEU 7 HD11 LEU 7 18.622 6.512 0.018 55 HD12 LEU 7 HD12 LEU 7 17.462 7.352 1.045 56 HD13 LEU 7 HD13 LEU 7 17.043 6.960 -0.622 57 HD21 LEU 7 HD21 LEU 7 15.224 4.584 1.654 58 HD22 LEU 7 HD22 LEU 7 14.958 5.456 0.145 59 HD23 LEU 7 HD23 LEU 7 15.383 6.340 1.609 60 H LYS 8 HN LYS 8 18.815 1.236 -0.595 61 HA LYS 8 HA LYS 8 17.837 0.346 -3.122 62 HB2 LYS 8 HB2 LYS 8 20.111 -0.216 -1.393 63 HB3 LYS 8 HB1 LYS 8 19.504 -1.672 -2.161 64 HG2 LYS 8 HG2 LYS 8 20.473 0.831 -3.448 65 HG3 LYS 8 HG1 LYS 8 21.226 -0.762 -3.512 66 HD2 LYS 8 HD2 LYS 8 20.052 -1.197 -5.358 67 HD3 LYS 8 HD1 LYS 8 18.563 -1.063 -4.407 68 HE2 LYS 8 HE2 LYS 8 18.275 0.512 -6.097 69 HE3 LYS 8 HE1 LYS 8 18.840 1.446 -4.703 70 HZ1 LYS 8 HZ1 LYS 8 19.970 2.085 -6.760 71 HZ2 LYS 8 HZ2 LYS 8 20.559 0.511 -6.938 72 HZ3 LYS 8 HZ3 LYS 8 21.054 1.455 -5.626 73 H HIS 9 HN HIS 9 17.999 -1.053 0.081 74 HA HIS 9 HA HIS 9 16.619 -3.416 -0.495 75 HB2 HIS 9 HB2 HIS 9 17.870 -2.616 1.708 76 HB3 HIS 9 HB1 HIS 9 16.233 -2.179 2.190 77 HD1 HIS 9 HD1 HIS 9 18.497 -4.919 2.367 78 HD2 HIS 9 HD2 HIS 9 14.412 -4.561 1.718 79 HE1 HIS 9 HE1 HIS 9 17.527 -7.188 2.857 80 HE2 HIS 9 HE2 HIS 9 15.081 -6.984 2.309 81 H CYS 10 HN CYS 10 15.408 -0.190 0.332 82 HA CYS 10 HA CYS 10 12.704 -1.049 0.553 83 HB2 CYS 10 HB2 CYS 10 12.081 1.229 0.677 84 HB3 CYS 10 HB1 CYS 10 13.655 1.134 1.470 85 HG CYS 10 HG CYS 10 14.486 1.850 -1.496 86 H ASN 11 HN ASN 11 14.761 -0.116 -2.095 87 HA ASN 11 HA ASN 11 12.740 0.135 -4.067 88 HB2 ASN 11 HB2 ASN 11 15.113 0.904 -4.350 89 HB3 ASN 11 HB1 ASN 11 15.604 -0.783 -4.440 90 HD21 ASN 11 HD21 ASN 11 16.358 -0.746 -6.494 91 HD22 ASN 11 HD22 ASN 11 15.358 -0.491 -7.880 92 H GLY 12 HN GLY 12 14.673 -2.548 -2.851 93 HA2 GLY 12 HA2 GLY 12 13.804 -4.479 -4.749 94 HA3 GLY 12 HA1 GLY 12 14.580 -4.820 -3.209 95 H ILE 13 HN ILE 13 12.705 -3.690 -1.479 96 HA ILE 13 HA ILE 13 10.813 -5.760 -1.227 97 HB ILE 13 HB ILE 13 10.845 -3.020 0.016 98 HG12 ILE 13 HG12 ILE 13 11.643 -5.673 1.202 99 HG13 ILE 13 HG11 ILE 13 12.792 -4.536 0.514 100 HG21 ILE 13 HG21 ILE 13 8.958 -5.235 0.265 101 HG22 ILE 13 HG22 ILE 13 8.707 -3.509 0.488 102 HG23 ILE 13 HG23 ILE 13 9.448 -4.470 1.769 103 HD11 ILE 13 HD11 ILE 13 11.197 -4.355 3.018 104 HD12 ILE 13 HD12 ILE 13 11.758 -2.885 2.232 105 HD13 ILE 13 HD13 ILE 13 12.918 -4.097 2.773 106 H LEU 14 HN LEU 14 10.405 -2.373 -2.198 107 HA LEU 14 HA LEU 14 7.704 -2.382 -2.776 108 HB2 LEU 14 HB2 LEU 14 9.676 -0.548 -2.856 109 HB3 LEU 14 HB1 LEU 14 9.483 -0.850 -4.571 110 HG LEU 14 HG LEU 14 7.194 -0.102 -2.779 111 HD11 LEU 14 HD11 LEU 14 9.167 1.576 -4.287 112 HD12 LEU 14 HD12 LEU 14 8.652 1.720 -2.602 113 HD13 LEU 14 HD13 LEU 14 7.547 2.165 -3.903 114 HD21 LEU 14 HD21 LEU 14 6.748 -1.197 -5.025 115 HD22 LEU 14 HD22 LEU 14 7.515 0.217 -5.757 116 HD23 LEU 14 HD23 LEU 14 6.049 0.412 -4.801 117 H LYS 15 HN LYS 15 10.442 -3.122 -4.901 118 HA LYS 15 HA LYS 15 9.094 -3.465 -7.284 119 HB2 LYS 15 HB2 LYS 15 11.355 -3.411 -7.591 120 HB3 LYS 15 HB1 LYS 15 11.680 -4.308 -6.115 121 HG2 LYS 15 HG2 LYS 15 12.322 -5.763 -7.801 122 HG3 LYS 15 HG1 LYS 15 10.718 -6.298 -7.335 123 HD2 LYS 15 HD2 LYS 15 9.729 -5.315 -9.251 124 HD3 LYS 15 HD1 LYS 15 11.214 -4.446 -9.649 125 HE2 LYS 15 HE2 LYS 15 11.147 -7.426 -9.497 126 HE3 LYS 15 HE1 LYS 15 10.660 -6.584 -10.972 127 HZ1 LYS 15 HZ1 LYS 15 12.868 -5.502 -10.944 128 HZ2 LYS 15 HZ2 LYS 15 12.956 -7.179 -11.119 129 HZ3 LYS 15 HZ3 LYS 15 13.307 -6.469 -9.627 130 H GLU 16 HN GLU 16 9.628 -5.663 -4.629 131 HA GLU 16 HA GLU 16 8.732 -7.971 -6.034 132 HB2 GLU 16 HB2 GLU 16 10.218 -8.228 -4.107 133 HB3 GLU 16 HB1 GLU 16 9.003 -7.515 -3.049 134 HG2 GLU 16 HG2 GLU 16 7.535 -9.507 -3.973 135 HG3 GLU 16 HG1 GLU 16 9.108 -10.232 -4.252 136 H LEU 17 HN LEU 17 7.232 -5.829 -3.649 137 HA LEU 17 HA LEU 17 4.703 -7.093 -3.575 138 HB2 LEU 17 HB2 LEU 17 5.352 -4.161 -3.187 139 HB3 LEU 17 HB1 LEU 17 3.883 -4.954 -2.674 140 HG LEU 17 HG LEU 17 6.532 -5.859 -1.599 141 HD11 LEU 17 HD11 LEU 17 6.360 -3.415 -1.316 142 HD12 LEU 17 HD12 LEU 17 6.328 -4.288 0.213 143 HD13 LEU 17 HD13 LEU 17 4.834 -3.641 -0.468 144 HD21 LEU 17 HD21 LEU 17 4.600 -7.261 -1.123 145 HD22 LEU 17 HD22 LEU 17 3.716 -5.869 -0.513 146 HD23 LEU 17 HD23 LEU 17 5.141 -6.454 0.342 147 H LEU 18 HN LEU 18 6.242 -5.093 -5.918 148 HA LEU 18 HA LEU 18 3.793 -4.546 -7.391 149 HB2 LEU 18 HB2 LEU 18 6.680 -3.877 -7.880 150 HB3 LEU 18 HB1 LEU 18 5.417 -3.518 -9.034 151 HG LEU 18 HG LEU 18 5.583 -2.433 -6.230 152 HD11 LEU 18 HD11 LEU 18 7.293 -1.455 -7.531 153 HD12 LEU 18 HD12 LEU 18 5.969 -0.288 -7.481 154 HD13 LEU 18 HD13 LEU 18 6.226 -1.268 -8.926 155 HD21 LEU 18 HD21 LEU 18 3.629 -1.321 -6.569 156 HD22 LEU 18 HD22 LEU 18 3.284 -2.786 -7.480 157 HD23 LEU 18 HD23 LEU 18 3.789 -1.322 -8.322 158 H SER 19 HN SER 19 6.148 -6.983 -7.267 159 HA SER 19 HA SER 19 6.206 -7.725 -10.007 160 HB2 SER 19 HB2 SER 19 6.819 -9.333 -7.520 161 HB3 SER 19 HB1 SER 19 7.173 -9.855 -9.169 162 HG SER 19 HG SER 19 8.123 -7.387 -8.151 163 H LYS 20 HN LYS 20 5.237 -9.476 -11.031 164 HA LYS 20 HA LYS 20 2.466 -9.609 -10.672 165 HB2 LYS 20 HB2 LYS 20 4.410 -11.126 -12.383 166 HB3 LYS 20 HB1 LYS 20 2.725 -11.619 -12.313 167 HG2 LYS 20 HG2 LYS 20 3.164 -10.158 -14.228 168 HG3 LYS 20 HG1 LYS 20 1.997 -9.453 -13.113 169 HD2 LYS 20 HD2 LYS 20 3.749 -8.032 -12.172 170 HD3 LYS 20 HD1 LYS 20 4.929 -8.751 -13.266 171 HE2 LYS 20 HE2 LYS 20 2.486 -7.167 -14.108 172 HE3 LYS 20 HE1 LYS 20 4.143 -6.563 -14.062 173 HZ1 LYS 20 HZ1 LYS 20 3.171 -8.798 -15.760 174 HZ2 LYS 20 HZ2 LYS 20 4.758 -8.215 -15.713 175 HZ3 LYS 20 HZ3 LYS 20 3.514 -7.227 -16.288 176 H LYS 21 HN LYS 21 4.969 -11.441 -9.232 177 HA LYS 21 HA LYS 21 3.663 -13.775 -8.488 178 HB2 LYS 21 HB2 LYS 21 6.001 -13.476 -8.009 179 HB3 LYS 21 HB1 LYS 21 5.673 -12.086 -6.995 180 HG2 LYS 21 HG2 LYS 21 4.500 -13.535 -5.408 181 HG3 LYS 21 HG1 LYS 21 4.893 -14.935 -6.400 182 HD2 LYS 21 HD2 LYS 21 7.327 -14.219 -6.129 183 HD3 LYS 21 HD1 LYS 21 6.738 -13.173 -4.832 184 HE2 LYS 21 HE2 LYS 21 7.367 -15.173 -3.766 185 HE3 LYS 21 HE1 LYS 21 5.609 -15.233 -3.900 186 HZ1 LYS 21 HZ1 LYS 21 7.475 -16.569 -5.774 187 HZ2 LYS 21 HZ2 LYS 21 5.787 -16.687 -5.772 188 HZ3 LYS 21 HZ3 LYS 21 6.680 -17.338 -4.496 189 H HIS 22 HN HIS 22 3.476 -10.525 -7.109 190 HA HIS 22 HA HIS 22 1.573 -11.535 -5.101 191 HB2 HIS 22 HB2 HIS 22 3.144 -8.933 -5.136 192 HB3 HIS 22 HB1 HIS 22 2.008 -9.417 -3.868 193 HD1 HIS 22 HD1 HIS 22 2.742 -11.480 -2.349 194 HD2 HIS 22 HD2 HIS 22 5.661 -10.005 -4.923 195 HE1 HIS 22 HE1 HIS 22 4.906 -12.435 -1.504 196 HE2 HIS 22 HE2 HIS 22 6.681 -11.295 -2.899 197 H ALA 23 HN ALA 23 1.819 -9.766 -7.962 198 HA ALA 23 HA ALA 23 0.064 -7.694 -7.829 199 HB1 ALA 23 HB1 ALA 23 1.422 -8.321 -9.777 200 HB2 ALA 23 HB2 ALA 23 -0.246 -7.927 -10.199 201 HB3 ALA 23 HB3 ALA 23 0.274 -9.613 -10.136 202 H ALA 24 HN ALA 24 -0.751 -11.090 -8.054 203 HA ALA 24 HA ALA 24 -3.437 -10.956 -8.746 204 HB1 ALA 24 HB1 ALA 24 -1.848 -12.911 -7.115 205 HB2 ALA 24 HB2 ALA 24 -2.415 -13.060 -8.781 206 HB3 ALA 24 HB3 ALA 24 -3.564 -13.151 -7.448 207 H TYR 25 HN TYR 25 -1.898 -10.144 -5.747 208 HA TYR 25 HA TYR 25 -4.510 -9.397 -4.658 209 HB2 TYR 25 HB2 TYR 25 -3.631 -10.201 -2.364 210 HB3 TYR 25 HB1 TYR 25 -4.222 -11.414 -3.496 211 HD1 TYR 25 HD1 TYR 25 -1.102 -9.851 -2.204 212 HD2 TYR 25 HD2 TYR 25 -2.866 -13.198 -4.149 213 HE1 TYR 25 HE1 TYR 25 1.010 -11.090 -1.995 214 HE2 TYR 25 HE2 TYR 25 -0.748 -14.432 -3.956 215 HH TYR 25 HH TYR 25 1.602 -14.026 -3.644 216 H ALA 26 HN ALA 26 -1.929 -8.163 -5.803 217 HA ALA 26 HA ALA 26 -1.421 -6.283 -3.589 218 HB1 ALA 26 HB1 ALA 26 0.600 -7.503 -4.287 219 HB2 ALA 26 HB2 ALA 26 0.724 -5.782 -4.652 220 HB3 ALA 26 HB3 ALA 26 0.362 -6.928 -5.939 221 H TRP 27 HN TRP 27 -2.864 -6.616 -6.641 222 HA TRP 27 HA TRP 27 -2.221 -4.224 -7.873 223 HB2 TRP 27 HB2 TRP 27 -4.313 -4.461 -9.184 224 HB3 TRP 27 HB1 TRP 27 -3.324 -5.908 -9.148 225 HD1 TRP 27 HD1 TRP 27 -4.353 -8.072 -8.030 226 HE1 TRP 27 HE1 TRP 27 -6.746 -8.709 -7.340 227 HE3 TRP 27 HE3 TRP 27 -6.508 -3.427 -8.165 228 HZ2 TRP 27 HZ2 TRP 27 -9.219 -7.420 -6.919 229 HZ3 TRP 27 HZ3 TRP 27 -8.893 -3.226 -7.615 230 HH2 TRP 27 HH2 TRP 27 -10.220 -5.179 -7.000 231 HA PRO 28 HA PRO 28 -6.092 -2.201 -5.512 232 HB2 PRO 28 HB2 PRO 28 -5.565 -2.744 -2.783 233 HB3 PRO 28 HB1 PRO 28 -6.996 -3.212 -3.699 234 HG2 PRO 28 HG2 PRO 28 -4.645 -4.802 -2.919 235 HG3 PRO 28 HG1 PRO 28 -6.275 -5.341 -3.360 236 HD2 PRO 28 HD2 PRO 28 -4.086 -5.666 -4.966 237 HD3 PRO 28 HD1 PRO 28 -5.740 -5.539 -5.584 238 H PHE 29 HN PHE 29 -2.779 -2.751 -4.641 239 HA PHE 29 HA PHE 29 -2.625 -0.093 -3.371 240 HB2 PHE 29 HB2 PHE 29 -0.412 -2.103 -3.191 241 HB3 PHE 29 HB1 PHE 29 -0.864 -0.828 -2.056 242 HD1 PHE 29 HD1 PHE 29 -0.905 -4.270 -2.657 243 HD2 PHE 29 HD2 PHE 29 -3.267 -1.143 -0.985 244 HE1 PHE 29 HE1 PHE 29 -2.158 -5.920 -1.351 245 HE2 PHE 29 HE2 PHE 29 -4.526 -2.800 0.329 246 HZ PHE 29 HZ PHE 29 -3.970 -5.192 0.136 247 H TYR 30 HN TYR 30 -1.783 -1.780 -6.178 248 HA TYR 30 HA TYR 30 0.616 -0.617 -6.967 249 HB2 TYR 30 HB2 TYR 30 -1.792 -1.560 -8.493 250 HB3 TYR 30 HB1 TYR 30 -0.454 -0.797 -9.341 251 HD1 TYR 30 HD1 TYR 30 0.158 -2.831 -6.392 252 HD2 TYR 30 HD2 TYR 30 -0.019 -2.834 -10.629 253 HE1 TYR 30 HE1 TYR 30 1.345 -4.971 -6.426 254 HE2 TYR 30 HE2 TYR 30 1.162 -4.991 -10.681 255 HH TYR 30 HH TYR 30 2.752 -6.248 -9.140 256 H LYS 31 HN LYS 31 -2.684 0.557 -7.600 257 HA LYS 31 HA LYS 31 -1.600 3.248 -8.056 258 HB2 LYS 31 HB2 LYS 31 -3.794 1.932 -9.658 259 HB3 LYS 31 HB1 LYS 31 -3.026 3.484 -9.993 260 HG2 LYS 31 HG2 LYS 31 -0.875 2.165 -10.354 261 HG3 LYS 31 HG1 LYS 31 -1.880 0.723 -10.297 262 HD2 LYS 31 HD2 LYS 31 -3.226 1.605 -12.154 263 HD3 LYS 31 HD1 LYS 31 -2.161 3.015 -12.228 264 HE2 LYS 31 HE2 LYS 31 -1.593 1.292 -13.906 265 HE3 LYS 31 HE1 LYS 31 -0.277 1.618 -12.781 266 HZ1 LYS 31 HZ1 LYS 31 -0.664 -0.774 -13.241 267 HZ2 LYS 31 HZ2 LYS 31 -2.173 -0.647 -12.484 268 HZ3 LYS 31 HZ3 LYS 31 -0.755 -0.373 -11.602 269 HA PRO 32 HA PRO 32 -4.835 4.740 -5.356 270 HB2 PRO 32 HB2 PRO 32 -5.975 6.715 -6.961 271 HB3 PRO 32 HB1 PRO 32 -4.573 6.942 -5.911 272 HG2 PRO 32 HG2 PRO 32 -4.668 6.359 -8.845 273 HG3 PRO 32 HG1 PRO 32 -3.618 7.481 -7.958 274 HD2 PRO 32 HD2 PRO 32 -2.664 5.149 -8.757 275 HD3 PRO 32 HD1 PRO 32 -2.277 5.758 -7.131 276 H VAL 33 HN VAL 33 -6.817 3.988 -4.921 277 HA VAL 33 HA VAL 33 -8.304 2.464 -6.745 278 HB VAL 33 HB VAL 33 -9.804 2.065 -5.066 279 HG11 VAL 33 HG11 VAL 33 -7.651 1.569 -4.160 280 HG12 VAL 33 HG12 VAL 33 -8.719 2.134 -2.879 281 HG13 VAL 33 HG13 VAL 33 -7.489 3.210 -3.541 282 HG21 VAL 33 HG21 VAL 33 -11.052 3.922 -4.727 283 HG22 VAL 33 HG22 VAL 33 -9.644 4.962 -4.472 284 HG23 VAL 33 HG23 VAL 33 -10.176 3.871 -3.192 285 H ASP 34 HN ASP 34 -10.154 2.923 -7.937 286 HA ASP 34 HA ASP 34 -10.206 5.688 -8.844 287 HB2 ASP 34 HB2 ASP 34 -11.656 3.257 -9.930 288 HB3 ASP 34 HB1 ASP 34 -11.652 4.854 -10.669 289 H ALA 35 HN ALA 35 -11.098 6.293 -6.704 290 HA ALA 35 HA ALA 35 -13.480 5.458 -5.623 291 HB1 ALA 35 HB1 ALA 35 -12.398 6.824 -4.178 292 HB2 ALA 35 HB2 ALA 35 -13.538 7.999 -4.839 293 HB3 ALA 35 HB3 ALA 35 -11.885 7.938 -5.448 294 H SER 36 HN SER 36 -13.014 7.965 -8.094 295 HA SER 36 HA SER 36 -15.652 8.879 -8.200 296 HB2 SER 36 HB2 SER 36 -13.628 8.711 -10.440 297 HB3 SER 36 HB1 SER 36 -15.073 9.725 -10.434 298 HG SER 36 HG SER 36 -13.914 10.350 -8.230 299 H ALA 37 HN ALA 37 -14.101 6.169 -9.864 300 HA ALA 37 HA ALA 37 -16.526 5.500 -11.304 301 HB1 ALA 37 HB1 ALA 37 -13.860 4.107 -11.128 302 HB2 ALA 37 HB2 ALA 37 -14.403 5.184 -12.415 303 HB3 ALA 37 HB3 ALA 37 -15.188 3.622 -12.183 304 H LEU 38 HN LEU 38 -15.070 4.761 -8.317 305 HA LEU 38 HA LEU 38 -16.414 2.212 -7.957 306 HB2 LEU 38 HB2 LEU 38 -14.558 3.855 -6.253 307 HB3 LEU 38 HB1 LEU 38 -15.346 2.416 -5.642 308 HG LEU 38 HG LEU 38 -13.655 2.325 -8.127 309 HD11 LEU 38 HD11 LEU 38 -12.738 2.119 -5.257 310 HD12 LEU 38 HD12 LEU 38 -12.168 3.228 -6.502 311 HD13 LEU 38 HD13 LEU 38 -11.821 1.505 -6.632 312 HD21 LEU 38 HD21 LEU 38 -14.334 0.233 -6.070 313 HD22 LEU 38 HD22 LEU 38 -13.483 -0.013 -7.595 314 HD23 LEU 38 HD23 LEU 38 -15.184 0.449 -7.599 315 H GLY 39 HN GLY 39 -17.397 5.326 -7.811 316 HA2 GLY 39 HA2 GLY 39 -19.398 6.204 -7.035 317 HA3 GLY 39 HA1 GLY 39 -19.705 4.686 -6.206 318 H LEU 40 HN LEU 40 -16.680 5.590 -5.387 319 HA LEU 40 HA LEU 40 -17.506 6.365 -2.741 320 HB2 LEU 40 HB2 LEU 40 -14.670 6.237 -3.735 321 HB3 LEU 40 HB1 LEU 40 -15.271 5.982 -2.107 322 HG LEU 40 HG LEU 40 -15.504 4.112 -4.455 323 HD11 LEU 40 HD11 LEU 40 -13.433 3.741 -3.563 324 HD12 LEU 40 HD12 LEU 40 -14.402 2.624 -2.615 325 HD13 LEU 40 HD13 LEU 40 -13.928 4.176 -1.933 326 HD21 LEU 40 HD21 LEU 40 -16.726 3.843 -1.730 327 HD22 LEU 40 HD22 LEU 40 -16.710 2.598 -2.970 328 HD23 LEU 40 HD23 LEU 40 -17.602 4.094 -3.230 329 H HIS 41 HN HIS 41 -18.360 8.455 -3.015 330 HA HIS 41 HA HIS 41 -16.693 10.520 -4.205 331 HB2 HIS 41 HB2 HIS 41 -19.272 10.932 -2.681 332 HB3 HIS 41 HB1 HIS 41 -18.513 12.033 -3.819 333 HD1 HIS 41 HD1 HIS 41 -18.771 11.505 -6.355 334 HD2 HIS 41 HD2 HIS 41 -20.884 8.921 -3.858 335 HE1 HIS 41 HE1 HIS 41 -20.374 10.269 -7.842 336 HE2 HIS 41 HE2 HIS 41 -21.722 8.816 -6.291 337 H ASP 42 HN ASP 42 -16.504 8.939 -1.423 338 HA ASP 42 HA ASP 42 -15.883 11.317 0.189 339 HB2 ASP 42 HB2 ASP 42 -16.924 8.657 1.136 340 HB3 ASP 42 HB1 ASP 42 -16.537 10.024 2.171 341 H TYR 43 HN TYR 43 -14.128 9.402 -1.528 342 HA TYR 43 HA TYR 43 -12.668 7.832 0.331 343 HB2 TYR 43 HB2 TYR 43 -12.730 7.216 -2.021 344 HB3 TYR 43 HB1 TYR 43 -11.971 8.732 -2.478 345 HD1 TYR 43 HD1 TYR 43 -11.421 5.429 -0.996 346 HD2 TYR 43 HD2 TYR 43 -9.574 9.043 -2.245 347 HE1 TYR 43 HE1 TYR 43 -9.226 4.332 -0.877 348 HE2 TYR 43 HE2 TYR 43 -7.370 7.966 -2.121 349 HH TYR 43 HH TYR 43 -6.960 4.622 -1.846 350 H HIS 44 HN HIS 44 -12.158 11.041 -1.058 351 HA HIS 44 HA HIS 44 -9.539 11.263 0.137 352 HB2 HIS 44 HB2 HIS 44 -11.242 13.147 -1.470 353 HB3 HIS 44 HB1 HIS 44 -9.770 13.699 -0.679 354 HD1 HIS 44 HD1 HIS 44 -7.638 13.352 -1.931 355 HD2 HIS 44 HD2 HIS 44 -10.734 11.009 -3.421 356 HE1 HIS 44 HE1 HIS 44 -6.721 12.250 -3.995 357 HE2 HIS 44 HE2 HIS 44 -8.661 10.976 -4.970 358 H ASP 45 HN ASP 45 -12.607 11.520 1.341 359 HA ASP 45 HA ASP 45 -12.005 13.614 3.266 360 HB2 ASP 45 HB2 ASP 45 -14.412 11.826 2.901 361 HB3 ASP 45 HB1 ASP 45 -14.259 12.986 4.211 362 H ILE 46 HN ILE 46 -12.407 10.116 3.151 363 HA ILE 46 HA ILE 46 -11.903 9.814 5.972 364 HB ILE 46 HB ILE 46 -12.326 7.849 3.730 365 HG12 ILE 46 HG12 ILE 46 -14.161 7.094 5.220 366 HG13 ILE 46 HG11 ILE 46 -13.760 8.393 6.335 367 HG21 ILE 46 HG21 ILE 46 -10.838 6.515 4.823 368 HG22 ILE 46 HG22 ILE 46 -12.263 6.174 5.798 369 HG23 ILE 46 HG23 ILE 46 -11.063 7.334 6.367 370 HD11 ILE 46 HD11 ILE 46 -14.734 8.710 3.508 371 HD12 ILE 46 HD12 ILE 46 -14.290 10.029 4.590 372 HD13 ILE 46 HD13 ILE 46 -15.663 8.993 4.979 373 H ILE 47 HN ILE 47 -10.144 9.059 2.973 374 HA ILE 47 HA ILE 47 -7.831 8.161 4.429 375 HB ILE 47 HB ILE 47 -8.026 8.806 1.490 376 HG12 ILE 47 HG12 ILE 47 -9.733 7.133 2.290 377 HG13 ILE 47 HG11 ILE 47 -8.612 6.522 1.079 378 HG21 ILE 47 HG21 ILE 47 -6.189 7.024 1.450 379 HG22 ILE 47 HG22 ILE 47 -6.061 7.309 3.183 380 HG23 ILE 47 HG23 ILE 47 -5.767 8.625 2.048 381 HD11 ILE 47 HD11 ILE 47 -8.454 6.043 4.038 382 HD12 ILE 47 HD12 ILE 47 -7.342 5.415 2.822 383 HD13 ILE 47 HD13 ILE 47 -9.020 4.901 2.824 384 H LYS 48 HN LYS 48 -6.517 9.558 5.412 385 HA LYS 48 HA LYS 48 -6.276 12.277 4.396 386 HB2 LYS 48 HB2 LYS 48 -5.358 10.971 6.948 387 HB3 LYS 48 HB1 LYS 48 -5.005 12.638 6.529 388 HG2 LYS 48 HG2 LYS 48 -7.771 11.480 6.756 389 HG3 LYS 48 HG1 LYS 48 -6.956 12.385 8.032 390 HD2 LYS 48 HD2 LYS 48 -7.051 14.386 6.833 391 HD3 LYS 48 HD1 LYS 48 -7.301 13.558 5.297 392 HE2 LYS 48 HE2 LYS 48 -9.325 14.683 6.136 393 HE3 LYS 48 HE1 LYS 48 -9.509 12.949 5.897 394 HZ1 LYS 48 HZ1 LYS 48 -9.192 12.642 8.286 395 HZ2 LYS 48 HZ2 LYS 48 -10.518 13.640 7.966 396 HZ3 LYS 48 HZ3 LYS 48 -9.060 14.315 8.493 397 H HIS 49 HN HIS 49 -4.464 9.351 4.613 398 HA HIS 49 HA HIS 49 -2.187 10.675 3.297 399 HB2 HIS 49 HB2 HIS 49 -2.189 8.308 5.170 400 HB3 HIS 49 HB1 HIS 49 -0.803 8.770 4.191 401 HD1 HIS 49 HD1 HIS 49 0.634 10.675 5.026 402 HD2 HIS 49 HD2 HIS 49 -2.821 10.138 7.271 403 HE1 HIS 49 HE1 HIS 49 0.920 12.121 7.059 404 HE2 HIS 49 HE2 HIS 49 -1.218 11.854 8.357 405 HA PRO 50 HA PRO 50 -4.014 7.457 0.403 406 HB2 PRO 50 HB2 PRO 50 -4.170 9.092 -1.774 407 HB3 PRO 50 HB1 PRO 50 -5.496 8.864 -0.628 408 HG2 PRO 50 HG2 PRO 50 -3.519 11.091 -0.829 409 HG3 PRO 50 HG1 PRO 50 -5.256 11.153 -0.471 410 HD2 PRO 50 HD2 PRO 50 -3.348 11.351 1.464 411 HD3 PRO 50 HD1 PRO 50 -4.948 10.636 1.756 412 H MET 51 HN MET 51 -2.319 6.225 -0.052 413 HA MET 51 HA MET 51 -0.159 7.324 -1.664 414 HB2 MET 51 HB2 MET 51 0.729 7.412 0.570 415 HB3 MET 51 HB1 MET 51 0.176 5.782 0.930 416 HG2 MET 51 HG2 MET 51 2.629 5.974 0.526 417 HG3 MET 51 HG1 MET 51 1.811 4.839 -0.554 418 HE1 MET 51 HE1 MET 51 3.066 8.481 -0.179 419 HE2 MET 51 HE2 MET 51 1.547 8.778 -1.013 420 HE3 MET 51 HE3 MET 51 3.080 9.085 -1.830 421 H ASP 52 HN ASP 52 0.956 5.767 -2.895 422 HA ASP 52 HA ASP 52 -0.316 3.135 -3.128 423 HB2 ASP 52 HB2 ASP 52 0.372 4.691 -5.612 424 HB3 ASP 52 HB1 ASP 52 -0.771 3.362 -5.422 425 H LEU 53 HN LEU 53 1.137 1.522 -3.995 426 HA LEU 53 HA LEU 53 3.812 1.856 -3.298 427 HB2 LEU 53 HB2 LEU 53 2.418 -0.145 -5.025 428 HB3 LEU 53 HB1 LEU 53 4.161 -0.192 -4.824 429 HG LEU 53 HG LEU 53 2.241 -0.242 -2.509 430 HD11 LEU 53 HD11 LEU 53 1.954 -2.142 -4.078 431 HD12 LEU 53 HD12 LEU 53 2.450 -2.610 -2.457 432 HD13 LEU 53 HD13 LEU 53 3.626 -2.592 -3.773 433 HD21 LEU 53 HD21 LEU 53 4.423 0.452 -1.872 434 HD22 LEU 53 HD22 LEU 53 5.173 -0.849 -2.792 435 HD23 LEU 53 HD23 LEU 53 4.216 -1.218 -1.355 436 H SER 54 HN SER 54 2.266 2.289 -6.442 437 HA SER 54 HA SER 54 4.630 2.693 -7.924 438 HB2 SER 54 HB2 SER 54 1.872 3.839 -8.438 439 HB3 SER 54 HB1 SER 54 3.183 3.716 -9.610 440 HG SER 54 HG SER 54 1.497 1.755 -8.596 441 H THR 55 HN THR 55 2.749 4.810 -5.870 442 HA THR 55 HA THR 55 4.107 7.213 -6.700 443 HB THR 55 HB THR 55 2.526 6.986 -4.154 444 HG1 THR 55 HG1 THR 55 0.660 6.871 -5.289 445 HG21 THR 55 HG21 THR 55 3.732 9.068 -4.838 446 HG22 THR 55 HG22 THR 55 1.995 9.271 -4.609 447 HG23 THR 55 HG23 THR 55 2.666 9.162 -6.238 448 H VAL 56 HN VAL 56 4.285 4.896 -4.051 449 HA VAL 56 HA VAL 56 6.181 6.207 -2.449 450 HB VAL 56 HB VAL 56 5.860 3.228 -2.908 451 HG11 VAL 56 HG11 VAL 56 8.057 3.778 -1.969 452 HG12 VAL 56 HG12 VAL 56 7.039 2.943 -0.792 453 HG13 VAL 56 HG13 VAL 56 7.269 4.687 -0.675 454 HG21 VAL 56 HG21 VAL 56 3.858 4.394 -2.035 455 HG22 VAL 56 HG22 VAL 56 4.815 4.937 -0.660 456 HG23 VAL 56 HG23 VAL 56 4.527 3.215 -0.910 457 H LYS 57 HN LYS 57 6.525 3.943 -5.123 458 HA LYS 57 HA LYS 57 9.339 3.894 -5.177 459 HB2 LYS 57 HB2 LYS 57 7.320 2.584 -6.509 460 HB3 LYS 57 HB1 LYS 57 8.026 3.577 -7.773 461 HG2 LYS 57 HG2 LYS 57 10.241 2.657 -7.203 462 HG3 LYS 57 HG1 LYS 57 9.470 1.595 -6.041 463 HD2 LYS 57 HD2 LYS 57 8.098 0.663 -7.901 464 HD3 LYS 57 HD1 LYS 57 9.077 1.616 -9.021 465 HE2 LYS 57 HE2 LYS 57 10.165 -0.408 -7.074 466 HE3 LYS 57 HE1 LYS 57 9.852 -0.730 -8.785 467 HZ1 LYS 57 HZ1 LYS 57 11.454 0.985 -9.366 468 HZ2 LYS 57 HZ2 LYS 57 12.179 -0.189 -8.389 469 HZ3 LYS 57 HZ3 LYS 57 11.750 1.306 -7.733 470 H ARG 58 HN ARG 58 6.928 5.817 -6.843 471 HA ARG 58 HA ARG 58 8.516 7.296 -8.560 472 HB2 ARG 58 HB2 ARG 58 6.054 7.301 -8.514 473 HB3 ARG 58 HB1 ARG 58 6.089 8.210 -7.013 474 HG2 ARG 58 HG2 ARG 58 7.196 10.062 -8.165 475 HG3 ARG 58 HG1 ARG 58 7.114 9.164 -9.676 476 HD2 ARG 58 HD2 ARG 58 4.651 9.101 -9.440 477 HD3 ARG 58 HD1 ARG 58 4.799 10.109 -8.005 478 HE ARG 58 HE ARG 58 6.030 11.648 -9.746 479 HH11 ARG 58 HH11 ARG 58 3.127 9.751 -10.223 480 HH12 ARG 58 HH12 ARG 58 2.413 10.884 -11.323 481 HH21 ARG 58 HH21 ARG 58 5.100 13.134 -11.207 482 HH22 ARG 58 HH22 ARG 58 3.538 12.809 -11.889 483 H LYS 59 HN LYS 59 7.558 8.089 -5.237 484 HA LYS 59 HA LYS 59 9.121 10.469 -5.127 485 HB2 LYS 59 HB2 LYS 59 7.823 8.826 -2.943 486 HB3 LYS 59 HB1 LYS 59 8.566 10.401 -2.695 487 HG2 LYS 59 HG2 LYS 59 6.939 11.502 -3.962 488 HG3 LYS 59 HG1 LYS 59 6.375 10.003 -4.699 489 HD2 LYS 59 HD2 LYS 59 4.797 10.870 -3.019 490 HD3 LYS 59 HD1 LYS 59 5.423 9.280 -2.589 491 HE2 LYS 59 HE2 LYS 59 6.954 11.555 -1.522 492 HE3 LYS 59 HE1 LYS 59 5.308 11.401 -0.903 493 HZ1 LYS 59 HZ1 LYS 59 7.067 10.202 0.379 494 HZ2 LYS 59 HZ2 LYS 59 7.221 9.140 -0.928 495 HZ3 LYS 59 HZ3 LYS 59 5.754 9.247 -0.092 496 H MET 60 HN MET 60 9.664 7.115 -4.187 497 HA MET 60 HA MET 60 12.169 7.430 -2.953 498 HB2 MET 60 HB2 MET 60 10.983 5.281 -2.934 499 HB3 MET 60 HB1 MET 60 11.178 5.141 -4.676 500 HG2 MET 60 HG2 MET 60 13.711 5.300 -4.141 501 HG3 MET 60 HG1 MET 60 13.210 4.854 -2.513 502 HE1 MET 60 HE1 MET 60 11.722 2.775 -2.010 503 HE2 MET 60 HE2 MET 60 11.419 1.445 -3.124 504 HE3 MET 60 HE3 MET 60 10.610 2.996 -3.357 505 H GLU 61 HN GLU 61 11.228 7.206 -6.349 506 HA GLU 61 HA GLU 61 13.833 7.015 -7.428 507 HB2 GLU 61 HB2 GLU 61 11.238 8.015 -8.586 508 HB3 GLU 61 HB1 GLU 61 12.711 7.898 -9.531 509 HG2 GLU 61 HG2 GLU 61 12.783 5.476 -9.011 510 HG3 GLU 61 HG1 GLU 61 11.228 5.647 -8.199 511 H ASN 62 HN ASN 62 11.844 9.727 -6.479 512 HA ASN 62 HA ASN 62 13.696 11.704 -7.508 513 HB2 ASN 62 HB2 ASN 62 11.210 11.876 -5.809 514 HB3 ASN 62 HB1 ASN 62 12.226 13.279 -6.108 515 HD21 ASN 62 HD21 ASN 62 11.729 10.796 -8.513 516 HD22 ASN 62 HD22 ASN 62 10.758 11.752 -9.575 517 H ARG 63 HN ARG 63 13.905 9.575 -5.182 518 HA ARG 63 HA ARG 63 15.092 9.217 -3.326 519 HB2 ARG 63 HB2 ARG 63 16.724 11.637 -4.038 520 HB3 ARG 63 HB1 ARG 63 17.246 10.163 -3.235 521 HG2 ARG 63 HG2 ARG 63 16.323 10.325 -6.087 522 HG3 ARG 63 HG1 ARG 63 18.011 10.331 -5.567 523 HD2 ARG 63 HD2 ARG 63 17.986 8.105 -5.021 524 HD3 ARG 63 HD1 ARG 63 16.259 8.091 -4.668 525 HE ARG 63 HE ARG 63 15.884 8.223 -7.095 526 HH11 ARG 63 HH11 ARG 63 19.018 7.122 -5.994 527 HH12 ARG 63 HH12 ARG 63 19.378 6.286 -7.470 528 HH21 ARG 63 HH21 ARG 63 16.357 7.123 -9.027 529 HH22 ARG 63 HH22 ARG 63 17.861 6.272 -9.185 530 H ASP 64 HN ASP 64 12.796 10.955 -3.126 531 HA ASP 64 HA ASP 64 13.280 13.043 -1.264 532 HB2 ASP 64 HB2 ASP 64 10.838 11.483 -2.052 533 HB3 ASP 64 HB1 ASP 64 10.778 12.584 -0.684 534 H TYR 65 HN TYR 65 13.312 9.690 -1.000 535 HA TYR 65 HA TYR 65 12.758 9.629 1.857 536 HB2 TYR 65 HB2 TYR 65 13.554 7.405 -0.047 537 HB3 TYR 65 HB1 TYR 65 13.087 7.189 1.635 538 HD1 TYR 65 HD1 TYR 65 11.337 5.614 1.012 539 HD2 TYR 65 HD2 TYR 65 11.297 9.591 -0.477 540 HE1 TYR 65 HE1 TYR 65 8.999 5.330 0.305 541 HE2 TYR 65 HE2 TYR 65 8.972 9.312 -1.176 542 HH TYR 65 HH TYR 65 7.042 6.707 -0.172 543 H ARG 66 HN ARG 66 14.342 9.487 3.389 544 HA ARG 66 HA ARG 66 17.107 9.588 2.433 545 HB2 ARG 66 HB2 ARG 66 15.897 10.138 5.145 546 HB3 ARG 66 HB1 ARG 66 17.619 10.235 4.792 547 HG2 ARG 66 HG2 ARG 66 15.489 11.914 3.479 548 HG3 ARG 66 HG1 ARG 66 16.496 12.430 4.832 549 HD2 ARG 66 HD2 ARG 66 17.523 13.330 2.922 550 HD3 ARG 66 HD1 ARG 66 18.489 11.918 3.344 551 HE ARG 66 HE ARG 66 16.399 11.661 1.305 552 HH11 ARG 66 HH11 ARG 66 19.797 11.747 2.136 553 HH12 ARG 66 HH12 ARG 66 20.311 11.051 0.633 554 HH21 ARG 66 HH21 ARG 66 17.074 10.774 -0.686 555 HH22 ARG 66 HH22 ARG 66 18.768 10.500 -0.968 556 H ASP 67 HN ASP 67 14.873 7.545 4.163 557 HA ASP 67 HA ASP 67 16.947 5.510 4.390 558 HB2 ASP 67 HB2 ASP 67 15.349 6.559 6.736 559 HB3 ASP 67 HB1 ASP 67 16.229 5.038 6.761 560 H ALA 68 HN ALA 68 15.991 3.395 5.001 561 HA ALA 68 HA ALA 68 13.715 2.877 3.379 562 HB1 ALA 68 HB1 ALA 68 15.085 1.087 5.374 563 HB2 ALA 68 HB2 ALA 68 15.498 1.232 3.666 564 HB3 ALA 68 HB3 ALA 68 13.934 0.570 4.144 565 H GLN 69 HN GLN 69 14.151 3.777 6.637 566 HA GLN 69 HA GLN 69 11.773 2.714 7.736 567 HB2 GLN 69 HB2 GLN 69 13.636 3.616 9.113 568 HB3 GLN 69 HB1 GLN 69 13.241 5.231 8.543 569 HG2 GLN 69 HG2 GLN 69 12.217 5.125 10.612 570 HG3 GLN 69 HG1 GLN 69 10.917 4.786 9.471 571 HE21 GLN 69 HE21 GLN 69 9.677 3.710 10.975 572 HE22 GLN 69 HE22 GLN 69 10.093 2.141 11.572 573 H GLU 70 HN GLU 70 12.568 5.707 6.065 574 HA GLU 70 HA GLU 70 10.027 6.909 6.326 575 HB2 GLU 70 HB2 GLU 70 12.335 7.375 4.461 576 HB3 GLU 70 HB1 GLU 70 10.830 8.277 4.325 577 HG2 GLU 70 HG2 GLU 70 11.095 9.065 6.619 578 HG3 GLU 70 HG1 GLU 70 12.614 8.177 6.738 579 H PHE 71 HN PHE 71 11.483 4.752 3.986 580 HA PHE 71 HA PHE 71 9.316 4.690 2.175 581 HB2 PHE 71 HB2 PHE 71 11.159 3.623 1.270 582 HB3 PHE 71 HB1 PHE 71 11.591 2.830 2.782 583 HD1 PHE 71 HD1 PHE 71 9.403 2.711 -0.159 584 HD2 PHE 71 HD2 PHE 71 10.614 0.707 3.383 585 HE1 PHE 71 HE1 PHE 71 8.266 0.669 -0.932 586 HE2 PHE 71 HE2 PHE 71 9.469 -1.324 2.632 587 HZ PHE 71 HZ PHE 71 8.301 -1.356 0.465 588 H ALA 72 HN ALA 72 10.170 2.597 4.924 589 HA ALA 72 HA ALA 72 7.957 0.945 4.878 590 HB1 ALA 72 HB1 ALA 72 9.660 1.864 7.185 591 HB2 ALA 72 HB2 ALA 72 9.818 0.378 6.249 592 HB3 ALA 72 HB3 ALA 72 8.433 0.604 7.316 593 H ALA 73 HN ALA 73 8.382 4.120 6.276 594 HA ALA 73 HA ALA 73 5.964 4.354 7.648 595 HB1 ALA 73 HB1 ALA 73 7.872 6.291 6.388 596 HB2 ALA 73 HB2 ALA 73 7.510 6.021 8.099 597 HB3 ALA 73 HB3 ALA 73 6.347 6.865 7.076 598 H ASP 74 HN ASP 74 6.783 5.212 4.280 599 HA ASP 74 HA ASP 74 4.245 6.222 3.597 600 HB2 ASP 74 HB2 ASP 74 6.738 5.467 2.183 601 HB3 ASP 74 HB1 ASP 74 5.281 5.538 1.220 602 H VAL 75 HN VAL 75 5.770 3.052 2.980 603 HA VAL 75 HA VAL 75 3.596 2.022 1.491 604 HB VAL 75 HB VAL 75 5.707 0.971 1.203 605 HG11 VAL 75 HG11 VAL 75 6.808 1.393 3.259 606 HG12 VAL 75 HG12 VAL 75 6.763 -0.356 3.042 607 HG13 VAL 75 HG13 VAL 75 5.638 0.423 4.154 608 HG21 VAL 75 HG21 VAL 75 5.205 -1.430 1.850 609 HG22 VAL 75 HG22 VAL 75 4.014 -0.606 0.838 610 HG23 VAL 75 HG23 VAL 75 3.717 -0.808 2.567 611 H ARG 76 HN ARG 76 4.386 1.832 4.943 612 HA ARG 76 HA ARG 76 2.277 0.013 5.535 613 HB2 ARG 76 HB2 ARG 76 2.845 0.284 7.792 614 HB3 ARG 76 HB1 ARG 76 4.358 0.455 6.931 615 HG2 ARG 76 HG2 ARG 76 4.199 2.888 7.110 616 HG3 ARG 76 HG1 ARG 76 2.682 2.722 7.993 617 HD2 ARG 76 HD2 ARG 76 4.704 3.103 9.418 618 HD3 ARG 76 HD1 ARG 76 3.774 1.667 9.817 619 HE ARG 76 HE ARG 76 5.943 1.173 8.004 620 HH11 ARG 76 HH11 ARG 76 5.021 1.462 11.366 621 HH12 ARG 76 HH12 ARG 76 6.321 0.466 11.944 622 HH21 ARG 76 HH21 ARG 76 7.640 -0.177 8.760 623 HH22 ARG 76 HH22 ARG 76 7.803 -0.481 10.456 624 H LEU 77 HN LEU 77 2.557 3.497 5.388 625 HA LEU 77 HA LEU 77 0.144 4.223 6.599 626 HB2 LEU 77 HB2 LEU 77 2.108 5.435 4.813 627 HB3 LEU 77 HB1 LEU 77 0.484 6.031 4.534 628 HG LEU 77 HG LEU 77 1.951 6.096 7.164 629 HD11 LEU 77 HD11 LEU 77 1.270 8.207 5.151 630 HD12 LEU 77 HD12 LEU 77 2.879 7.689 5.648 631 HD13 LEU 77 HD13 LEU 77 1.837 8.551 6.782 632 HD21 LEU 77 HD21 LEU 77 -0.843 6.701 6.338 633 HD22 LEU 77 HD22 LEU 77 -0.090 7.681 7.601 634 HD23 LEU 77 HD23 LEU 77 -0.248 5.937 7.814 635 H MET 78 HN MET 78 0.923 3.252 3.338 636 HA MET 78 HA MET 78 -1.570 3.550 2.119 637 HB2 MET 78 HB2 MET 78 0.543 3.013 0.937 638 HB3 MET 78 HB1 MET 78 0.503 1.399 1.625 639 HG2 MET 78 HG2 MET 78 -1.629 0.981 0.387 640 HG3 MET 78 HG1 MET 78 -1.436 2.575 -0.362 641 HE1 MET 78 HE1 MET 78 1.671 0.188 0.470 642 HE2 MET 78 HE2 MET 78 1.510 -0.932 -0.882 643 HE3 MET 78 HE3 MET 78 0.236 -0.827 0.330 644 H PHE 79 HN PHE 79 -0.197 0.681 3.783 645 HA PHE 79 HA PHE 79 -2.565 -0.862 3.527 646 HB2 PHE 79 HB2 PHE 79 -0.342 -1.114 5.569 647 HB3 PHE 79 HB1 PHE 79 -1.605 -2.311 5.295 648 HD1 PHE 79 HD1 PHE 79 -1.783 -2.552 2.436 649 HD2 PHE 79 HD2 PHE 79 1.658 -1.980 4.871 650 HE1 PHE 79 HE1 PHE 79 -0.391 -3.625 0.714 651 HE2 PHE 79 HE2 PHE 79 3.054 -3.049 3.159 652 HZ PHE 79 HZ PHE 79 2.050 -3.865 1.066 653 H SER 80 HN SER 80 -1.440 1.366 6.018 654 HA SER 80 HA SER 80 -3.374 0.867 7.965 655 HB2 SER 80 HB2 SER 80 -1.982 3.477 7.297 656 HB3 SER 80 HB1 SER 80 -2.854 3.137 8.793 657 HG SER 80 HG SER 80 -0.599 1.676 7.854 658 H ASN 81 HN ASN 81 -3.422 3.131 5.213 659 HA ASN 81 HA ASN 81 -5.925 4.256 5.915 660 HB2 ASN 81 HB2 ASN 81 -5.857 5.442 3.845 661 HB3 ASN 81 HB1 ASN 81 -4.215 5.363 4.449 662 HD21 ASN 81 HD21 ASN 81 -3.040 5.474 2.696 663 HD22 ASN 81 HD22 ASN 81 -3.162 4.417 1.329 664 H CYS 82 HN CYS 82 -5.030 1.421 4.108 665 HA CYS 82 HA CYS 82 -7.486 0.943 2.826 666 HB2 CYS 82 HB2 CYS 82 -5.515 -1.113 3.871 667 HB3 CYS 82 HB1 CYS 82 -6.780 -1.402 2.683 668 HG CYS 82 HG CYS 82 -4.483 0.987 1.979 669 H TYR 83 HN TYR 83 -6.306 -0.092 6.042 670 HA TYR 83 HA TYR 83 -8.791 -1.371 6.704 671 HB2 TYR 83 HB2 TYR 83 -6.729 -0.337 8.660 672 HB3 TYR 83 HB1 TYR 83 -7.960 -1.566 8.948 673 HD1 TYR 83 HD1 TYR 83 -7.614 -3.243 6.517 674 HD2 TYR 83 HD2 TYR 83 -4.707 -1.462 9.079 675 HE1 TYR 83 HE1 TYR 83 -6.015 -5.010 5.930 676 HE2 TYR 83 HE2 TYR 83 -3.116 -3.231 8.503 677 HH TYR 83 HH TYR 83 -3.479 -5.275 5.906 678 H LYS 84 HN LYS 84 -7.567 1.834 6.821 679 HA LYS 84 HA LYS 84 -9.272 2.884 8.826 680 HB2 LYS 84 HB2 LYS 84 -7.122 3.806 7.379 681 HB3 LYS 84 HB1 LYS 84 -8.449 4.750 6.714 682 HG2 LYS 84 HG2 LYS 84 -9.034 5.473 8.994 683 HG3 LYS 84 HG1 LYS 84 -7.656 4.565 9.617 684 HD2 LYS 84 HD2 LYS 84 -6.870 6.762 9.435 685 HD3 LYS 84 HD1 LYS 84 -6.246 5.955 7.995 686 HE2 LYS 84 HE2 LYS 84 -7.100 8.075 7.321 687 HE3 LYS 84 HE1 LYS 84 -8.224 6.844 6.743 688 HZ1 LYS 84 HZ1 LYS 84 -9.659 7.323 8.619 689 HZ2 LYS 84 HZ2 LYS 84 -9.377 8.728 7.723 690 HZ3 LYS 84 HZ3 LYS 84 -8.577 8.486 9.191 691 H TYR 85 HN TYR 85 -9.527 2.440 5.368 692 HA TYR 85 HA TYR 85 -12.067 3.831 5.241 693 HB2 TYR 85 HB2 TYR 85 -10.445 3.987 3.391 694 HB3 TYR 85 HB1 TYR 85 -10.618 2.263 3.095 695 HD1 TYR 85 HD1 TYR 85 -12.469 5.442 3.246 696 HD2 TYR 85 HD2 TYR 85 -12.414 1.503 1.636 697 HE1 TYR 85 HE1 TYR 85 -14.393 6.004 1.813 698 HE2 TYR 85 HE2 TYR 85 -14.335 2.057 0.206 699 HH TYR 85 HH TYR 85 -15.386 5.234 -0.289 700 H ASN 86 HN ASN 86 -10.902 0.550 4.515 701 HA ASN 86 HA ASN 86 -13.597 -0.386 4.108 702 HB2 ASN 86 HB2 ASN 86 -10.965 -1.883 4.044 703 HB3 ASN 86 HB1 ASN 86 -12.520 -2.516 3.497 704 HD21 ASN 86 HD21 ASN 86 -9.923 -0.311 2.830 705 HD22 ASN 86 HD22 ASN 86 -10.365 0.037 1.193 706 HA PRO 87 HA PRO 87 -14.254 -1.839 8.243 707 HB2 PRO 87 HB2 PRO 87 -16.279 -3.579 7.663 708 HB3 PRO 87 HB1 PRO 87 -16.497 -1.834 7.800 709 HG2 PRO 87 HG2 PRO 87 -16.207 -3.525 5.358 710 HG3 PRO 87 HG1 PRO 87 -17.280 -2.143 5.650 711 HD2 PRO 87 HD2 PRO 87 -14.992 -1.935 4.220 712 HD3 PRO 87 HD1 PRO 87 -15.627 -0.604 5.209 713 HA PRO 88 HA PRO 88 -11.975 -5.338 9.274 714 HB2 PRO 88 HB2 PRO 88 -13.972 -7.106 10.258 715 HB3 PRO 88 HB1 PRO 88 -12.941 -6.017 11.187 716 HG2 PRO 88 HG2 PRO 88 -15.725 -5.634 10.226 717 HG3 PRO 88 HG1 PRO 88 -14.936 -4.996 11.681 718 HD2 PRO 88 HD2 PRO 88 -15.440 -3.412 9.599 719 HD3 PRO 88 HD1 PRO 88 -13.921 -3.252 10.508 720 H ASP 89 HN ASP 89 -14.972 -6.345 7.629 721 HA ASP 89 HA ASP 89 -13.401 -8.528 6.421 722 HB2 ASP 89 HB2 ASP 89 -15.295 -9.329 7.800 723 HB3 ASP 89 HB1 ASP 89 -16.414 -8.424 6.784 724 H HIS 90 HN HIS 90 -12.602 -7.319 4.727 725 HA HIS 90 HA HIS 90 -14.454 -7.183 2.500 726 HB2 HIS 90 HB2 HIS 90 -14.128 -4.830 3.727 727 HB3 HIS 90 HB1 HIS 90 -12.648 -4.817 2.784 728 HD1 HIS 90 HD1 HIS 90 -12.821 -4.322 0.307 729 HD2 HIS 90 HD2 HIS 90 -16.538 -4.731 2.101 730 HE1 HIS 90 HE1 HIS 90 -14.492 -3.633 -1.429 731 HE2 HIS 90 HE2 HIS 90 -16.732 -3.988 -0.354 732 H ASP 91 HN ASP 91 -13.271 -7.112 0.413 733 HA ASP 91 HA ASP 91 -11.147 -8.905 0.405 734 HB2 ASP 91 HB2 ASP 91 -12.190 -7.024 -1.686 735 HB3 ASP 91 HB1 ASP 91 -10.798 -8.054 -1.999 736 H VAL 92 HN VAL 92 -11.022 -5.373 0.282 737 HA VAL 92 HA VAL 92 -8.283 -5.275 -0.451 738 HB VAL 92 HB VAL 92 -9.009 -2.856 0.875 739 HG11 VAL 92 HG11 VAL 92 -7.402 -3.201 -0.991 740 HG12 VAL 92 HG12 VAL 92 -8.540 -1.885 -1.252 741 HG13 VAL 92 HG13 VAL 92 -8.774 -3.431 -2.068 742 HG21 VAL 92 HG21 VAL 92 -11.311 -3.627 0.545 743 HG22 VAL 92 HG22 VAL 92 -11.005 -3.788 -1.180 744 HG23 VAL 92 HG23 VAL 92 -10.945 -2.200 -0.413 745 H VAL 93 HN VAL 93 -9.861 -5.654 2.611 746 HA VAL 93 HA VAL 93 -7.461 -4.897 4.051 747 HB VAL 93 HB VAL 93 -8.597 -5.465 6.092 748 HG11 VAL 93 HG11 VAL 93 -10.609 -4.148 4.281 749 HG12 VAL 93 HG12 VAL 93 -9.194 -3.336 4.956 750 HG13 VAL 93 HG13 VAL 93 -10.454 -3.950 6.028 751 HG21 VAL 93 HG21 VAL 93 -10.828 -6.591 4.418 752 HG22 VAL 93 HG22 VAL 93 -10.812 -6.449 6.176 753 HG23 VAL 93 HG23 VAL 93 -9.679 -7.533 5.368 754 H ALA 94 HN ALA 94 -9.119 -7.794 2.994 755 HA ALA 94 HA ALA 94 -7.455 -9.693 4.237 756 HB1 ALA 94 HB1 ALA 94 -8.955 -9.949 1.634 757 HB2 ALA 94 HB2 ALA 94 -9.615 -10.271 3.235 758 HB3 ALA 94 HB3 ALA 94 -8.313 -11.276 2.600 759 H MET 95 HN MET 95 -7.281 -8.070 1.109 760 HA MET 95 HA MET 95 -4.901 -9.384 0.270 761 HB2 MET 95 HB2 MET 95 -6.202 -6.814 -0.662 762 HB3 MET 95 HB1 MET 95 -4.808 -7.543 -1.444 763 HG2 MET 95 HG2 MET 95 -6.195 -9.594 -1.834 764 HG3 MET 95 HG1 MET 95 -7.580 -8.705 -1.204 765 HE1 MET 95 HE1 MET 95 -8.242 -6.280 -2.235 766 HE2 MET 95 HE2 MET 95 -9.242 -7.565 -2.905 767 HE3 MET 95 HE3 MET 95 -8.588 -6.320 -3.962 768 H ALA 96 HN ALA 96 -5.587 -6.472 2.109 769 HA ALA 96 HA ALA 96 -2.969 -5.380 2.027 770 HB1 ALA 96 HB1 ALA 96 -4.719 -3.918 2.630 771 HB2 ALA 96 HB2 ALA 96 -3.725 -4.118 4.071 772 HB3 ALA 96 HB3 ALA 96 -5.257 -4.978 3.930 773 H ARG 97 HN ARG 97 -4.626 -7.517 4.337 774 HA ARG 97 HA ARG 97 -2.562 -7.548 6.257 775 HB2 ARG 97 HB2 ARG 97 -4.764 -9.526 5.707 776 HB3 ARG 97 HB1 ARG 97 -3.677 -9.641 7.087 777 HG2 ARG 97 HG2 ARG 97 -4.432 -7.410 7.822 778 HG3 ARG 97 HG1 ARG 97 -5.591 -7.393 6.492 779 HD2 ARG 97 HD2 ARG 97 -6.440 -9.606 7.497 780 HD3 ARG 97 HD1 ARG 97 -5.533 -9.138 8.929 781 HE ARG 97 HE ARG 97 -6.915 -7.106 8.994 782 HH11 ARG 97 HH11 ARG 97 -8.077 -9.861 7.172 783 HH12 ARG 97 HH12 ARG 97 -9.744 -9.394 7.282 784 HH21 ARG 97 HH21 ARG 97 -9.116 -6.473 9.111 785 HH22 ARG 97 HH22 ARG 97 -10.333 -7.465 8.371 786 H LYS 98 HN LYS 98 -3.280 -9.681 3.541 787 HA LYS 98 HA LYS 98 -1.240 -11.562 4.086 788 HB2 LYS 98 HB2 LYS 98 -3.166 -12.003 2.610 789 HB3 LYS 98 HB1 LYS 98 -2.515 -10.874 1.432 790 HG2 LYS 98 HG2 LYS 98 -0.510 -12.314 1.238 791 HG3 LYS 98 HG1 LYS 98 -1.271 -13.458 2.336 792 HD2 LYS 98 HD2 LYS 98 -3.099 -13.794 0.777 793 HD3 LYS 98 HD1 LYS 98 -2.417 -12.581 -0.309 794 HE2 LYS 98 HE2 LYS 98 -1.912 -14.849 -1.059 795 HE3 LYS 98 HE1 LYS 98 -0.458 -13.942 -0.657 796 HZ1 LYS 98 HZ1 LYS 98 -0.408 -15.085 1.488 797 HZ2 LYS 98 HZ2 LYS 98 -0.323 -16.175 0.197 798 HZ3 LYS 98 HZ3 LYS 98 -1.772 -15.983 1.048 799 H LEU 99 HN LEU 99 -1.314 -8.784 1.860 800 HA LEU 99 HA LEU 99 1.376 -8.915 1.074 801 HB2 LEU 99 HB2 LEU 99 -0.723 -6.832 1.017 802 HB3 LEU 99 HB1 LEU 99 0.926 -6.284 0.913 803 HG LEU 99 HG LEU 99 -0.738 -7.583 -1.126 804 HD11 LEU 99 HD11 LEU 99 1.814 -6.059 -1.392 805 HD12 LEU 99 HD12 LEU 99 0.269 -5.265 -1.090 806 HD13 LEU 99 HD13 LEU 99 0.505 -6.211 -2.561 807 HD21 LEU 99 HD21 LEU 99 2.188 -8.262 -1.024 808 HD22 LEU 99 HD22 LEU 99 1.003 -8.770 -2.226 809 HD23 LEU 99 HD23 LEU 99 0.914 -9.403 -0.586 810 H GLN 100 HN GLN 100 -0.127 -7.623 3.946 811 HA GLN 100 HA GLN 100 2.090 -6.189 4.937 812 HB2 GLN 100 HB2 GLN 100 -0.187 -6.037 5.913 813 HB3 GLN 100 HB1 GLN 100 -0.038 -7.694 6.483 814 HG2 GLN 100 HG2 GLN 100 0.325 -6.075 8.264 815 HG3 GLN 100 HG1 GLN 100 1.755 -7.067 7.972 816 HE21 GLN 100 HE21 GLN 100 3.147 -5.581 8.881 817 HE22 GLN 100 HE22 GLN 100 3.536 -4.079 8.122 818 H ASP 101 HN ASP 101 1.205 -9.591 5.002 819 HA ASP 101 HA ASP 101 3.105 -10.486 6.871 820 HB2 ASP 101 HB2 ASP 101 1.206 -11.868 6.098 821 HB3 ASP 101 HB1 ASP 101 1.955 -11.997 4.511 822 H VAL 102 HN VAL 102 3.262 -10.356 3.302 823 HA VAL 102 HA VAL 102 5.939 -11.264 3.161 824 HB VAL 102 HB VAL 102 4.795 -11.439 1.131 825 HG11 VAL 102 HG11 VAL 102 3.834 -9.473 -0.054 826 HG12 VAL 102 HG12 VAL 102 4.036 -8.563 1.441 827 HG13 VAL 102 HG13 VAL 102 2.981 -9.976 1.402 828 HG21 VAL 102 HG21 VAL 102 6.107 -9.069 0.119 829 HG22 VAL 102 HG22 VAL 102 6.438 -10.774 -0.209 830 HG23 VAL 102 HG23 VAL 102 7.144 -9.996 1.207 831 H PHE 103 HN PHE 103 4.678 -7.937 2.867 832 HA PHE 103 HA PHE 103 7.115 -6.625 2.726 833 HB2 PHE 103 HB2 PHE 103 5.372 -5.252 2.207 834 HB3 PHE 103 HB1 PHE 103 4.367 -5.809 3.536 835 HD1 PHE 103 HD1 PHE 103 7.623 -4.039 3.053 836 HD2 PHE 103 HD2 PHE 103 3.945 -4.226 5.218 837 HE1 PHE 103 HE1 PHE 103 8.263 -2.036 4.326 838 HE2 PHE 103 HE2 PHE 103 4.594 -2.231 6.485 839 HZ PHE 103 HZ PHE 103 6.751 -1.131 6.045 840 H GLU 104 HN GLU 104 5.369 -7.654 5.669 841 HA GLU 104 HA GLU 104 6.986 -6.438 7.575 842 HB2 GLU 104 HB2 GLU 104 4.854 -8.198 7.495 843 HB3 GLU 104 HB1 GLU 104 6.134 -9.138 8.245 844 HG2 GLU 104 HG2 GLU 104 5.470 -6.394 9.206 845 HG3 GLU 104 HG1 GLU 104 4.548 -7.804 9.699 846 H PHE 105 HN PHE 105 7.244 -9.681 6.143 847 HA PHE 105 HA PHE 105 9.513 -10.454 7.635 848 HB2 PHE 105 HB2 PHE 105 7.927 -12.031 6.568 849 HB3 PHE 105 HB1 PHE 105 8.529 -11.542 4.990 850 HD1 PHE 105 HD1 PHE 105 9.956 -12.701 8.244 851 HD2 PHE 105 HD2 PHE 105 9.984 -12.995 3.999 852 HE1 PHE 105 HE1 PHE 105 11.682 -14.448 8.380 853 HE2 PHE 105 HE2 PHE 105 11.711 -14.741 4.127 854 HZ PHE 105 HZ PHE 105 12.562 -15.469 6.320 855 H ARG 106 HN ARG 106 9.122 -8.857 4.541 856 HA ARG 106 HA ARG 106 11.788 -9.125 3.652 857 HB2 ARG 106 HB2 ARG 106 9.763 -6.973 3.024 858 HB3 ARG 106 HB1 ARG 106 11.241 -7.267 2.130 859 HG2 ARG 106 HG2 ARG 106 8.851 -9.068 2.335 860 HG3 ARG 106 HG1 ARG 106 9.392 -8.167 0.923 861 HD2 ARG 106 HD2 ARG 106 11.408 -9.514 0.806 862 HD3 ARG 106 HD1 ARG 106 10.924 -10.386 2.264 863 HE ARG 106 HE ARG 106 9.339 -10.422 -0.224 864 HH11 ARG 106 HH11 ARG 106 10.931 -12.125 2.392 865 HH12 ARG 106 HH12 ARG 106 10.177 -13.642 2.026 866 HH21 ARG 106 HH21 ARG 106 8.375 -12.398 -0.714 867 HH22 ARG 106 HH22 ARG 106 8.717 -13.805 0.253 868 H TYR 107 HN TYR 107 10.100 -6.525 5.382 869 HA TYR 107 HA TYR 107 12.443 -4.910 5.620 870 HB2 TYR 107 HB2 TYR 107 10.024 -4.091 5.744 871 HB3 TYR 107 HB1 TYR 107 10.001 -4.708 7.393 872 HD1 TYR 107 HD1 TYR 107 11.245 -2.087 5.180 873 HD2 TYR 107 HD2 TYR 107 11.360 -3.632 9.141 874 HE1 TYR 107 HE1 TYR 107 12.244 0.006 5.963 875 HE2 TYR 107 HE2 TYR 107 12.355 -1.525 9.932 876 HH TYR 107 HH TYR 107 13.642 0.367 9.023 877 H ALA 108 HN ALA 108 11.111 -7.543 7.438 878 HA ALA 108 HA ALA 108 12.538 -7.095 9.855 879 HB1 ALA 108 HB1 ALA 108 10.539 -8.544 9.673 880 HB2 ALA 108 HB2 ALA 108 11.908 -9.342 10.446 881 HB3 ALA 108 HB3 ALA 108 11.505 -9.711 8.769 882 H LYS 109 HN LYS 109 13.161 -9.108 6.993 883 HA LYS 109 HA LYS 109 15.695 -10.048 7.888 884 HB2 LYS 109 HB2 LYS 109 14.358 -9.940 5.199 885 HB3 LYS 109 HB1 LYS 109 16.017 -10.493 5.372 886 HG2 LYS 109 HG2 LYS 109 15.290 -12.269 6.861 887 HG3 LYS 109 HG1 LYS 109 13.624 -11.701 6.738 888 HD2 LYS 109 HD2 LYS 109 14.090 -13.629 5.266 889 HD3 LYS 109 HD1 LYS 109 13.585 -12.194 4.376 890 HE2 LYS 109 HE2 LYS 109 15.435 -13.308 3.255 891 HE3 LYS 109 HE1 LYS 109 15.917 -11.714 3.822 892 HZ1 LYS 109 HZ1 LYS 109 17.020 -12.743 5.696 893 HZ2 LYS 109 HZ2 LYS 109 17.605 -13.390 4.251 894 HZ3 LYS 109 HZ3 LYS 109 16.517 -14.276 5.189 895 H MET 110 HN MET 110 14.610 -7.141 6.465 896 HA MET 110 HA MET 110 17.010 -6.250 5.294 897 HB2 MET 110 HB2 MET 110 14.995 -5.153 4.670 898 HB3 MET 110 HB1 MET 110 14.582 -4.801 6.341 899 HG2 MET 110 HG2 MET 110 17.103 -3.646 5.340 900 HG3 MET 110 HG1 MET 110 15.610 -2.994 4.665 901 HE1 MET 110 HE1 MET 110 15.910 -0.666 5.497 902 HE2 MET 110 HE2 MET 110 17.499 -1.046 6.172 903 HE3 MET 110 HE3 MET 110 16.307 -0.191 7.153 904 HA PRO 111 HA PRO 111 19.038 -5.249 9.179 905 HB2 PRO 111 HB2 PRO 111 21.547 -5.409 8.290 906 HB3 PRO 111 HB1 PRO 111 20.572 -6.862 8.540 907 HG2 PRO 111 HG2 PRO 111 21.319 -5.497 6.008 908 HG3 PRO 111 HG1 PRO 111 21.058 -7.218 6.325 909 HD2 PRO 111 HD2 PRO 111 19.223 -5.407 5.168 910 HD3 PRO 111 HD1 PRO 111 18.883 -7.068 5.719 911 H ASP 112 HN ASP 112 20.153 -3.437 9.958 912 HA ASP 112 HA ASP 112 20.106 -1.121 8.171 913 HB2 ASP 112 HB2 ASP 112 20.109 -1.369 11.178 914 HB3 ASP 112 HB1 ASP 112 20.362 0.166 10.356 915 H1 HIS 281 HT1 HIS 281 -18.286 9.050 8.556 916 H2 HIS 281 HT2 HIS 281 -18.984 7.637 9.171 917 H3 HIS 281 HT3 HIS 281 -17.905 8.527 10.120 918 HA HIS 281 HA HIS 281 -20.162 8.884 10.830 919 HB2 HIS 281 HB2 HIS 281 -18.884 11.262 9.466 920 HB3 HIS 281 HB1 HIS 281 -20.219 11.376 10.604 921 HD1 HIS 281 HD1 HIS 281 -16.654 11.589 10.484 922 HD2 HIS 281 HD2 HIS 281 -19.421 10.155 13.238 923 HE1 HIS 281 HE1 HIS 281 -15.435 11.489 12.681 924 HE2 HIS 281 HE2 HIS 281 -17.101 10.536 14.314 925 H ASN 282 HN ASN 282 -22.264 9.432 10.398 926 HA ASN 282 HA ASN 282 -24.203 9.513 9.249 927 HB2 ASN 282 HB2 ASN 282 -23.354 11.552 8.202 928 HB3 ASN 282 HB1 ASN 282 -22.514 10.596 6.986 929 HD21 ASN 282 HD21 ASN 282 -23.601 11.495 5.273 930 HD22 ASN 282 HD22 ASN 282 -25.276 11.199 4.960 931 H LEU 283 HN LEU 283 -22.126 8.778 6.481 932 HA LEU 283 HA LEU 283 -22.939 6.002 6.493 933 HB2 LEU 283 HB2 LEU 283 -24.822 7.060 5.357 934 HB3 LEU 283 HB1 LEU 283 -23.728 7.874 4.255 935 HG LEU 283 HG LEU 283 -23.051 5.692 3.327 936 HD11 LEU 283 HD11 LEU 283 -24.317 3.686 3.903 937 HD12 LEU 283 HD12 LEU 283 -25.182 4.584 5.150 938 HD13 LEU 283 HD13 LEU 283 -23.444 4.316 5.298 939 HD21 LEU 283 HD21 LEU 283 -26.027 6.178 3.338 940 HD22 LEU 283 HD22 LEU 283 -25.145 5.213 2.156 941 HD23 LEU 283 HD23 LEU 283 -24.850 6.947 2.273 942 H LEU 284 HN LEU 284 -20.962 5.140 6.335 943 HA LEU 284 HA LEU 284 -19.081 6.313 4.427 944 HB2 LEU 284 HB2 LEU 284 -18.698 4.366 6.688 945 HB3 LEU 284 HB1 LEU 284 -17.443 4.721 5.519 946 HG LEU 284 HG LEU 284 -18.693 6.658 7.460 947 HD11 LEU 284 HD11 LEU 284 -16.351 6.809 8.282 948 HD12 LEU 284 HD12 LEU 284 -15.951 5.449 7.234 949 HD13 LEU 284 HD13 LEU 284 -17.114 5.240 8.543 950 HD21 LEU 284 HD21 LEU 284 -17.025 8.264 6.572 951 HD22 LEU 284 HD22 LEU 284 -18.292 7.843 5.421 952 HD23 LEU 284 HD23 LEU 284 -16.687 7.126 5.267 953 H ARG 285 HN ARG 285 -18.226 5.216 2.773 954 HA ARG 285 HA ARG 285 -19.787 2.982 1.790 955 HB2 ARG 285 HB2 ARG 285 -17.813 4.896 0.614 956 HB3 ARG 285 HB1 ARG 285 -18.155 3.391 -0.229 957 HG2 ARG 285 HG2 ARG 285 -19.534 5.079 -1.165 958 HG3 ARG 285 HG1 ARG 285 -20.571 4.025 -0.204 959 HD2 ARG 285 HD2 ARG 285 -20.469 5.660 1.642 960 HD3 ARG 285 HD1 ARG 285 -19.496 6.723 0.622 961 HE ARG 285 HE ARG 285 -21.843 6.074 -0.756 962 HH11 ARG 285 HH11 ARG 285 -20.856 7.922 2.054 963 HH12 ARG 285 HH12 ARG 285 -22.205 9.005 1.965 964 HH21 ARG 285 HH21 ARG 285 -23.615 7.497 -0.864 965 HH22 ARG 285 HH22 ARG 285 -23.766 8.769 0.305 966 H ILE 286 HN ILE 286 -18.501 1.232 0.588 967 HA ILE 286 HA ILE 286 -16.376 0.338 2.423 968 HB ILE 286 HB ILE 286 -17.200 -1.976 2.053 969 HG12 ILE 286 HG12 ILE 286 -19.562 -0.573 0.778 970 HG13 ILE 286 HG11 ILE 286 -18.383 -1.566 -0.072 971 HG21 ILE 286 HG21 ILE 286 -17.787 -0.841 4.076 972 HG22 ILE 286 HG22 ILE 286 -19.194 -1.743 3.514 973 HG23 ILE 286 HG23 ILE 286 -19.112 0.002 3.276 974 HD11 ILE 286 HD11 ILE 286 -19.102 -3.512 1.203 975 HD12 ILE 286 HD12 ILE 286 -20.447 -2.778 0.329 976 HD13 ILE 286 HD13 ILE 286 -20.275 -2.518 2.065 977 HH31 ALY 287 HH1 ALY 287 -7.110 0.854 -1.405 978 HH32 ALY 287 HH2 ALY 287 -7.017 1.937 -0.015 979 HH33 ALY 287 HH3 ALY 287 -7.224 0.203 0.232 980 HZ ALY 287 HZ1 ALY 287 -9.193 0.165 -2.117 981 HE3 ALY 287 HE2 ALY 287 -11.381 1.770 -1.900 982 HE2 ALY 287 HE1 ALY 287 -11.592 0.573 -0.622 983 HD3 ALY 287 HD2 ALY 287 -11.536 -1.222 -2.213 984 HD2 ALY 287 HD1 ALY 287 -11.102 -0.115 -3.517 985 HG3 ALY 287 HG2 ALY 287 -13.473 -0.772 -3.573 986 HG2 ALY 287 HG1 ALY 287 -13.251 0.965 -3.378 987 HB3 ALY 287 HB2 ALY 287 -13.599 0.690 -0.946 988 HB2 ALY 287 HB1 ALY 287 -13.936 -1.015 -1.214 989 HCA ALY 287 HA ALY 287 -15.513 1.187 -2.517 990 H ALY 287 HN ALY 287 -16.759 1.351 -0.610 991 H GLN 288 HN GLN 288 -16.037 0.192 -4.397 992 HA GLN 288 HA GLN 288 -17.688 -2.172 -4.177 993 HB2 GLN 288 HB2 GLN 288 -17.037 -0.437 -6.559 994 HB3 GLN 288 HB1 GLN 288 -18.137 -1.808 -6.598 995 HG2 GLN 288 HG2 GLN 288 -18.459 0.800 -5.153 996 HG3 GLN 288 HG1 GLN 288 -19.490 0.098 -6.399 997 HE21 GLN 288 HE21 GLN 288 -20.869 -1.635 -5.842 998 HE22 GLN 288 HE22 GLN 288 -21.313 -1.930 -4.195 999 H PHE 289 HN PHE 289 -15.371 -3.053 -3.455 1000 HA PHE 289 HA PHE 289 -14.199 -4.415 -5.769 1001 HB2 PHE 289 HB2 PHE 289 -13.301 -4.049 -2.922 1002 HB3 PHE 289 HB1 PHE 289 -12.653 -5.368 -3.885 1003 HD1 PHE 289 HD1 PHE 289 -13.461 -2.441 -5.784 1004 HD2 PHE 289 HD2 PHE 289 -10.435 -4.228 -3.372 1005 HE1 PHE 289 HE1 PHE 289 -11.791 -0.916 -6.751 1006 HE2 PHE 289 HE2 PHE 289 -8.771 -2.700 -4.337 1007 HZ PHE 289 HZ PHE 289 -9.444 -1.044 -6.027 1008 H LEU 290 HN LEU 290 -14.670 -6.457 -6.218 1009 HA LEU 290 HA LEU 290 -15.729 -8.451 -6.229 1010 HB2 LEU 290 HB2 LEU 290 -14.412 -8.839 -4.147 1011 HB3 LEU 290 HB1 LEU 290 -15.765 -8.224 -3.219 1012 HG LEU 290 HG LEU 290 -17.152 -10.082 -4.265 1013 HD11 LEU 290 HD11 LEU 290 -15.667 -10.622 -6.108 1014 HD12 LEU 290 HD12 LEU 290 -15.913 -12.028 -5.074 1015 HD13 LEU 290 HD13 LEU 290 -14.410 -11.110 -4.973 1016 HD21 LEU 290 HD21 LEU 290 -16.460 -10.170 -1.964 1017 HD22 LEU 290 HD22 LEU 290 -14.862 -10.751 -2.429 1018 HD23 LEU 290 HD23 LEU 290 -16.277 -11.768 -2.687 1019 H GLN 291 HN GLN 291 -17.505 -7.381 -7.226 1020 HA GLN 291 HA GLN 291 -19.817 -6.983 -5.449 1021 HB2 GLN 291 HB2 GLN 291 -20.795 -5.638 -7.283 1022 HB3 GLN 291 HB1 GLN 291 -19.285 -4.968 -6.687 1023 HG2 GLN 291 HG2 GLN 291 -18.095 -5.744 -8.596 1024 HG3 GLN 291 HG1 GLN 291 -19.476 -6.696 -9.139 1025 HE21 GLN 291 HE21 GLN 291 -21.196 -5.676 -10.129 1026 HE22 GLN 291 HE22 GLN 291 -21.108 -4.048 -10.706 1027 H SER 292 HN SER 292 -21.797 -7.915 -5.996 1028 HA SER 292 HA SER 292 -21.586 -10.308 -7.625 1029 HB2 SER 292 HB2 SER 292 -23.851 -9.300 -5.889 1030 HB3 SER 292 HB1 SER 292 -23.779 -10.880 -6.670 1031 HG SER 292 HG SER 292 -23.091 -10.840 -4.426 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 26.094 7.342 -2.540 2 H2 GLY 1 HT2 GLY 1 26.219 8.873 -3.239 3 H3 GLY 1 HT3 GLY 1 27.534 7.809 -3.291 4 HA2 GLY 1 HA1 GLY 1 26.432 7.894 -5.430 5 HA3 GLY 1 HA2 GLY 1 26.315 6.300 -4.701 6 H LYS 2 HN LYS 2 24.507 6.016 -6.166 7 HA LYS 2 HA LYS 2 22.099 7.534 -5.565 8 HB2 LYS 2 HB2 LYS 2 22.634 5.337 -7.565 9 HB3 LYS 2 HB1 LYS 2 21.099 6.168 -7.385 10 HG2 LYS 2 HG2 LYS 2 23.698 7.469 -8.158 11 HG3 LYS 2 HG1 LYS 2 22.408 7.017 -9.269 12 HD2 LYS 2 HD2 LYS 2 20.884 8.511 -7.935 13 HD3 LYS 2 HD1 LYS 2 22.318 9.082 -7.080 14 HE2 LYS 2 HE2 LYS 2 21.817 9.263 -10.047 15 HE3 LYS 2 HE1 LYS 2 21.728 10.593 -8.895 16 HZ1 LYS 2 HZ1 LYS 2 24.172 9.026 -9.518 17 HZ2 LYS 2 HZ2 LYS 2 24.077 10.337 -8.455 18 HZ3 LYS 2 HZ3 LYS 2 23.823 10.572 -10.108 19 H LEU 3 HN LEU 3 20.770 6.895 -3.993 20 HA LEU 3 HA LEU 3 19.529 5.619 -2.592 21 HB2 LEU 3 HB2 LEU 3 20.194 3.478 -4.605 22 HB3 LEU 3 HB1 LEU 3 19.181 3.185 -3.204 23 HG LEU 3 HG LEU 3 18.533 5.262 -5.291 24 HD11 LEU 3 HD11 LEU 3 17.600 2.400 -5.073 25 HD12 LEU 3 HD12 LEU 3 18.590 3.087 -6.361 26 HD13 LEU 3 HD13 LEU 3 16.919 3.613 -6.157 27 HD21 LEU 3 HD21 LEU 3 17.481 5.558 -3.081 28 HD22 LEU 3 HD22 LEU 3 16.843 3.917 -3.182 29 HD23 LEU 3 HD23 LEU 3 16.304 5.145 -4.328 30 H SER 4 HN SER 4 20.468 5.518 -0.669 31 HA SER 4 HA SER 4 22.868 4.164 -0.079 32 HB2 SER 4 HB2 SER 4 20.597 4.923 1.778 33 HB3 SER 4 HB1 SER 4 22.239 4.506 2.270 34 HG SER 4 HG SER 4 22.930 6.413 1.655 35 H GLU 5 HN GLU 5 22.900 2.293 1.598 36 HA GLU 5 HA GLU 5 21.966 0.013 0.353 37 HB2 GLU 5 HB2 GLU 5 22.645 0.376 3.273 38 HB3 GLU 5 HB1 GLU 5 22.479 -1.177 2.466 39 HG2 GLU 5 HG2 GLU 5 24.313 -0.504 0.931 40 HG3 GLU 5 HG1 GLU 5 24.528 0.948 1.904 41 H GLN 6 HN GLN 6 20.508 1.727 3.081 42 HA GLN 6 HA GLN 6 18.365 -0.024 3.544 43 HB2 GLN 6 HB2 GLN 6 18.707 2.932 4.046 44 HB3 GLN 6 HB1 GLN 6 17.250 2.069 4.511 45 HG2 GLN 6 HG2 GLN 6 19.054 2.464 6.281 46 HG3 GLN 6 HG1 GLN 6 18.341 0.856 6.162 47 HE21 GLN 6 HE21 GLN 6 19.600 -0.850 5.455 48 HE22 GLN 6 HE22 GLN 6 21.317 -0.743 5.320 49 H LEU 7 HN LEU 7 18.688 2.760 1.387 50 HA LEU 7 HA LEU 7 15.951 2.683 0.545 51 HB2 LEU 7 HB2 LEU 7 18.344 4.144 -0.566 52 HB3 LEU 7 HB1 LEU 7 16.705 4.361 -1.150 53 HG LEU 7 HG LEU 7 17.562 4.901 1.684 54 HD11 LEU 7 HD11 LEU 7 18.679 6.402 0.091 55 HD12 LEU 7 HD12 LEU 7 17.508 7.253 1.096 56 HD13 LEU 7 HD13 LEU 7 17.108 6.847 -0.572 57 HD21 LEU 7 HD21 LEU 7 15.254 4.484 1.689 58 HD22 LEU 7 HD22 LEU 7 15.018 5.326 0.156 59 HD23 LEU 7 HD23 LEU 7 15.399 6.241 1.614 60 H LYS 8 HN LYS 8 18.911 1.212 -0.494 61 HA LYS 8 HA LYS 8 17.944 0.365 -3.037 62 HB2 LYS 8 HB2 LYS 8 20.340 0.416 -2.553 63 HB3 LYS 8 HB1 LYS 8 20.117 -0.765 -1.276 64 HG2 LYS 8 HG2 LYS 8 21.046 -1.791 -3.273 65 HG3 LYS 8 HG1 LYS 8 19.446 -2.437 -2.910 66 HD2 LYS 8 HD2 LYS 8 19.745 -2.003 -5.310 67 HD3 LYS 8 HD1 LYS 8 18.454 -1.022 -4.611 68 HE2 LYS 8 HE2 LYS 8 19.893 0.252 -6.158 69 HE3 LYS 8 HE1 LYS 8 19.916 0.902 -4.520 70 HZ1 LYS 8 HZ1 LYS 8 22.031 -0.157 -4.141 71 HZ2 LYS 8 HZ2 LYS 8 22.130 0.792 -5.536 72 HZ3 LYS 8 HZ3 LYS 8 21.993 -0.886 -5.666 73 H HIS 9 HN HIS 9 17.941 -0.957 0.218 74 HA HIS 9 HA HIS 9 16.761 -3.434 -0.496 75 HB2 HIS 9 HB2 HIS 9 17.933 -2.655 1.744 76 HB3 HIS 9 HB1 HIS 9 16.285 -2.232 2.200 77 HD1 HIS 9 HD1 HIS 9 18.489 -4.822 2.782 78 HD2 HIS 9 HD2 HIS 9 14.584 -4.754 1.369 79 HE1 HIS 9 HE1 HIS 9 17.583 -7.134 3.181 80 HE2 HIS 9 HE2 HIS 9 15.272 -7.109 2.179 81 H CYS 10 HN CYS 10 15.460 -0.256 0.353 82 HA CYS 10 HA CYS 10 12.767 -1.143 0.519 83 HB2 CYS 10 HB2 CYS 10 12.116 1.130 0.633 84 HB3 CYS 10 HB1 CYS 10 13.675 1.050 1.456 85 HG CYS 10 HG CYS 10 14.576 1.780 -1.475 86 H ASN 11 HN ASN 11 14.850 -0.198 -2.092 87 HA ASN 11 HA ASN 11 12.858 0.169 -4.070 88 HB2 ASN 11 HB2 ASN 11 15.209 0.942 -4.303 89 HB3 ASN 11 HB1 ASN 11 15.731 -0.735 -4.400 90 HD21 ASN 11 HD21 ASN 11 14.034 1.834 -6.022 91 HD22 ASN 11 HD22 ASN 11 14.074 1.126 -7.600 92 H GLY 12 HN GLY 12 14.677 -2.621 -2.929 93 HA2 GLY 12 HA2 GLY 12 13.714 -4.413 -4.940 94 HA3 GLY 12 HA1 GLY 12 14.544 -4.863 -3.456 95 H ILE 13 HN ILE 13 12.764 -3.743 -1.598 96 HA ILE 13 HA ILE 13 10.843 -5.774 -1.325 97 HB ILE 13 HB ILE 13 11.009 -3.062 -0.040 98 HG12 ILE 13 HG12 ILE 13 11.720 -5.794 1.011 99 HG13 ILE 13 HG11 ILE 13 12.886 -4.632 0.408 100 HG21 ILE 13 HG21 ILE 13 8.974 -5.142 0.207 101 HG22 ILE 13 HG22 ILE 13 8.869 -3.415 0.511 102 HG23 ILE 13 HG23 ILE 13 9.574 -4.484 1.723 103 HD11 ILE 13 HD11 ILE 13 11.206 -4.506 2.876 104 HD12 ILE 13 HD12 ILE 13 12.016 -3.082 2.224 105 HD13 ILE 13 HD13 ILE 13 12.962 -4.479 2.742 106 H LEU 14 HN LEU 14 10.445 -2.363 -2.241 107 HA LEU 14 HA LEU 14 7.733 -2.340 -2.755 108 HB2 LEU 14 HB2 LEU 14 9.713 -0.523 -2.901 109 HB3 LEU 14 HB1 LEU 14 9.514 -0.862 -4.606 110 HG LEU 14 HG LEU 14 7.245 -0.046 -2.823 111 HD11 LEU 14 HD11 LEU 14 9.186 1.569 -4.428 112 HD12 LEU 14 HD12 LEU 14 8.748 1.757 -2.728 113 HD13 LEU 14 HD13 LEU 14 7.590 2.182 -3.990 114 HD21 LEU 14 HD21 LEU 14 6.787 -1.213 -5.032 115 HD22 LEU 14 HD22 LEU 14 7.527 0.191 -5.808 116 HD23 LEU 14 HD23 LEU 14 6.074 0.392 -4.834 117 H LYS 15 HN LYS 15 10.421 -3.140 -4.900 118 HA LYS 15 HA LYS 15 9.046 -3.521 -7.256 119 HB2 LYS 15 HB2 LYS 15 11.334 -3.397 -7.482 120 HB3 LYS 15 HB1 LYS 15 11.631 -4.423 -6.087 121 HG2 LYS 15 HG2 LYS 15 12.269 -5.720 -7.899 122 HG3 LYS 15 HG1 LYS 15 10.665 -6.283 -7.465 123 HD2 LYS 15 HD2 LYS 15 9.665 -5.261 -9.307 124 HD3 LYS 15 HD1 LYS 15 11.046 -4.191 -9.571 125 HE2 LYS 15 HE2 LYS 15 12.382 -5.970 -10.370 126 HE3 LYS 15 HE1 LYS 15 11.214 -7.172 -9.833 127 HZ1 LYS 15 HZ1 LYS 15 11.138 -6.786 -12.237 128 HZ2 LYS 15 HZ2 LYS 15 10.740 -5.166 -11.972 129 HZ3 LYS 15 HZ3 LYS 15 9.671 -6.388 -11.498 130 H GLU 16 HN GLU 16 9.692 -5.716 -4.607 131 HA GLU 16 HA GLU 16 8.797 -8.041 -5.966 132 HB2 GLU 16 HB2 GLU 16 10.284 -8.243 -4.003 133 HB3 GLU 16 HB1 GLU 16 9.021 -7.578 -2.969 134 HG2 GLU 16 HG2 GLU 16 7.619 -9.597 -3.826 135 HG3 GLU 16 HG1 GLU 16 9.174 -10.278 -4.256 136 H LEU 17 HN LEU 17 7.264 -5.853 -3.660 137 HA LEU 17 HA LEU 17 4.755 -7.160 -3.554 138 HB2 LEU 17 HB2 LEU 17 5.377 -4.215 -3.214 139 HB3 LEU 17 HB1 LEU 17 3.904 -5.006 -2.706 140 HG LEU 17 HG LEU 17 6.560 -5.855 -1.594 141 HD11 LEU 17 HD11 LEU 17 6.294 -3.420 -1.303 142 HD12 LEU 17 HD12 LEU 17 6.267 -4.302 0.221 143 HD13 LEU 17 HD13 LEU 17 4.762 -3.706 -0.483 144 HD21 LEU 17 HD21 LEU 17 4.625 -7.317 -1.192 145 HD22 LEU 17 HD22 LEU 17 3.742 -5.952 -0.516 146 HD23 LEU 17 HD23 LEU 17 5.182 -6.559 0.296 147 H LEU 18 HN LEU 18 6.271 -5.148 -5.910 148 HA LEU 18 HA LEU 18 3.822 -4.630 -7.394 149 HB2 LEU 18 HB2 LEU 18 6.703 -3.930 -7.878 150 HB3 LEU 18 HB1 LEU 18 5.427 -3.568 -9.017 151 HG LEU 18 HG LEU 18 5.640 -2.506 -6.209 152 HD11 LEU 18 HD11 LEU 18 7.282 -1.475 -7.539 153 HD12 LEU 18 HD12 LEU 18 5.928 -0.343 -7.471 154 HD13 LEU 18 HD13 LEU 18 6.186 -1.323 -8.914 155 HD21 LEU 18 HD21 LEU 18 3.674 -1.365 -6.516 156 HD22 LEU 18 HD22 LEU 18 3.303 -2.895 -7.296 157 HD23 LEU 18 HD23 LEU 18 3.735 -1.489 -8.269 158 H SER 19 HN SER 19 6.116 -7.078 -7.221 159 HA SER 19 HA SER 19 6.227 -7.822 -9.970 160 HB2 SER 19 HB2 SER 19 6.755 -9.501 -7.505 161 HB3 SER 19 HB1 SER 19 7.242 -9.899 -9.153 162 HG SER 19 HG SER 19 8.031 -7.418 -8.134 163 H LYS 20 HN LYS 20 5.186 -9.509 -11.026 164 HA LYS 20 HA LYS 20 2.432 -9.629 -10.637 165 HB2 LYS 20 HB2 LYS 20 4.288 -11.291 -12.317 166 HB3 LYS 20 HB1 LYS 20 2.541 -11.525 -12.325 167 HG2 LYS 20 HG2 LYS 20 3.821 -8.873 -12.867 168 HG3 LYS 20 HG1 LYS 20 3.464 -10.041 -14.143 169 HD2 LYS 20 HD2 LYS 20 1.090 -9.988 -13.472 170 HD3 LYS 20 HD1 LYS 20 1.479 -8.780 -12.248 171 HE2 LYS 20 HE2 LYS 20 2.269 -7.267 -14.021 172 HE3 LYS 20 HE1 LYS 20 1.820 -8.471 -15.227 173 HZ1 LYS 20 HZ1 LYS 20 0.111 -6.807 -15.015 174 HZ2 LYS 20 HZ2 LYS 20 -0.031 -7.093 -13.359 175 HZ3 LYS 20 HZ3 LYS 20 -0.481 -8.289 -14.464 176 H LYS 21 HN LYS 21 4.933 -11.500 -9.276 177 HA LYS 21 HA LYS 21 3.679 -13.840 -8.498 178 HB2 LYS 21 HB2 LYS 21 6.019 -13.495 -8.081 179 HB3 LYS 21 HB1 LYS 21 5.690 -12.110 -7.060 180 HG2 LYS 21 HG2 LYS 21 4.602 -13.577 -5.432 181 HG3 LYS 21 HG1 LYS 21 4.988 -14.969 -6.436 182 HD2 LYS 21 HD2 LYS 21 7.421 -14.137 -6.253 183 HD3 LYS 21 HD1 LYS 21 6.818 -13.199 -4.880 184 HE2 LYS 21 HE2 LYS 21 7.619 -15.270 -4.017 185 HE3 LYS 21 HE1 LYS 21 5.854 -15.302 -3.980 186 HZ1 LYS 21 HZ1 LYS 21 7.505 -16.550 -6.105 187 HZ2 LYS 21 HZ2 LYS 21 5.824 -16.643 -5.949 188 HZ3 LYS 21 HZ3 LYS 21 6.818 -17.384 -4.802 189 H HIS 22 HN HIS 22 3.471 -10.604 -7.086 190 HA HIS 22 HA HIS 22 1.611 -11.664 -5.064 191 HB2 HIS 22 HB2 HIS 22 3.179 -9.060 -5.083 192 HB3 HIS 22 HB1 HIS 22 2.034 -9.536 -3.819 193 HD1 HIS 22 HD1 HIS 22 2.744 -11.695 -2.365 194 HD2 HIS 22 HD2 HIS 22 5.704 -10.039 -4.780 195 HE1 HIS 22 HE1 HIS 22 4.907 -12.625 -1.485 196 HE2 HIS 22 HE2 HIS 22 6.694 -11.380 -2.777 197 H ALA 23 HN ALA 23 1.771 -9.926 -7.932 198 HA ALA 23 HA ALA 23 0.031 -7.828 -7.752 199 HB1 ALA 23 HB1 ALA 23 1.353 -8.438 -9.722 200 HB2 ALA 23 HB2 ALA 23 -0.323 -8.052 -10.118 201 HB3 ALA 23 HB3 ALA 23 0.209 -9.735 -10.070 202 H ALA 24 HN ALA 24 -0.789 -11.224 -7.994 203 HA ALA 24 HA ALA 24 -3.475 -11.116 -8.632 204 HB1 ALA 24 HB1 ALA 24 -1.899 -13.012 -6.915 205 HB2 ALA 24 HB2 ALA 24 -2.417 -13.218 -8.590 206 HB3 ALA 24 HB3 ALA 24 -3.604 -13.270 -7.287 207 H TYR 25 HN TYR 25 -1.902 -10.358 -5.608 208 HA TYR 25 HA TYR 25 -4.491 -9.517 -4.515 209 HB2 TYR 25 HB2 TYR 25 -3.616 -10.349 -2.232 210 HB3 TYR 25 HB1 TYR 25 -4.229 -11.545 -3.370 211 HD1 TYR 25 HD1 TYR 25 -1.054 -10.012 -2.168 212 HD2 TYR 25 HD2 TYR 25 -2.936 -13.377 -3.957 213 HE1 TYR 25 HE1 TYR 25 1.043 -11.280 -1.986 214 HE2 TYR 25 HE2 TYR 25 -0.838 -14.646 -3.796 215 HH TYR 25 HH TYR 25 1.492 -14.340 -3.536 216 H ALA 26 HN ALA 26 -1.895 -8.334 -5.677 217 HA ALA 26 HA ALA 26 -1.351 -6.437 -3.484 218 HB1 ALA 26 HB1 ALA 26 0.662 -7.638 -4.188 219 HB2 ALA 26 HB2 ALA 26 0.768 -5.932 -4.627 220 HB3 ALA 26 HB3 ALA 26 0.383 -7.134 -5.855 221 H TRP 27 HN TRP 27 -2.877 -6.787 -6.469 222 HA TRP 27 HA TRP 27 -2.274 -4.417 -7.769 223 HB2 TRP 27 HB2 TRP 27 -4.406 -4.689 -8.996 224 HB3 TRP 27 HB1 TRP 27 -3.443 -6.154 -8.939 225 HD1 TRP 27 HD1 TRP 27 -4.464 -8.245 -7.679 226 HE1 TRP 27 HE1 TRP 27 -6.831 -8.793 -6.826 227 HE3 TRP 27 HE3 TRP 27 -6.532 -3.567 -7.932 228 HZ2 TRP 27 HZ2 TRP 27 -9.244 -7.432 -6.340 229 HZ3 TRP 27 HZ3 TRP 27 -8.875 -3.284 -7.260 230 HH2 TRP 27 HH2 TRP 27 -10.201 -5.176 -6.478 231 HA PRO 28 HA PRO 28 -6.069 -2.372 -5.289 232 HB2 PRO 28 HB2 PRO 28 -5.439 -2.873 -2.572 233 HB3 PRO 28 HB1 PRO 28 -6.902 -3.357 -3.426 234 HG2 PRO 28 HG2 PRO 28 -4.529 -4.934 -2.704 235 HG3 PRO 28 HG1 PRO 28 -6.167 -5.481 -3.100 236 HD2 PRO 28 HD2 PRO 28 -4.011 -5.808 -4.753 237 HD3 PRO 28 HD1 PRO 28 -5.683 -5.712 -5.326 238 H PHE 29 HN PHE 29 -2.726 -2.894 -4.504 239 HA PHE 29 HA PHE 29 -2.558 -0.198 -3.318 240 HB2 PHE 29 HB2 PHE 29 -0.330 -2.160 -3.032 241 HB3 PHE 29 HB1 PHE 29 -0.869 -0.898 -1.922 242 HD1 PHE 29 HD1 PHE 29 -0.806 -4.345 -2.552 243 HD2 PHE 29 HD2 PHE 29 -3.253 -1.287 -0.886 244 HE1 PHE 29 HE1 PHE 29 -2.054 -6.037 -1.292 245 HE2 PHE 29 HE2 PHE 29 -4.505 -2.984 0.385 246 HZ PHE 29 HZ PHE 29 -3.903 -5.362 0.172 247 H TYR 30 HN TYR 30 -1.783 -1.941 -6.089 248 HA TYR 30 HA TYR 30 0.642 -0.858 -6.913 249 HB2 TYR 30 HB2 TYR 30 -1.809 -1.747 -8.402 250 HB3 TYR 30 HB1 TYR 30 -0.481 -0.990 -9.276 251 HD1 TYR 30 HD1 TYR 30 0.334 -2.937 -6.362 252 HD2 TYR 30 HD2 TYR 30 -0.243 -3.123 -10.557 253 HE1 TYR 30 HE1 TYR 30 1.538 -5.069 -6.413 254 HE2 TYR 30 HE2 TYR 30 0.954 -5.273 -10.626 255 HH TYR 30 HH TYR 30 1.921 -6.919 -7.687 256 H LYS 31 HN LYS 31 -2.617 0.430 -7.549 257 HA LYS 31 HA LYS 31 -1.508 3.121 -7.521 258 HB2 LYS 31 HB2 LYS 31 -2.994 1.828 -9.781 259 HB3 LYS 31 HB1 LYS 31 -3.026 3.578 -9.567 260 HG2 LYS 31 HG2 LYS 31 -0.525 3.536 -9.595 261 HG3 LYS 31 HG1 LYS 31 -0.620 1.834 -10.035 262 HD2 LYS 31 HD2 LYS 31 -1.756 2.377 -12.082 263 HD3 LYS 31 HD1 LYS 31 -1.872 4.075 -11.613 264 HE2 LYS 31 HE2 LYS 31 0.664 2.536 -12.166 265 HE3 LYS 31 HE1 LYS 31 -0.066 3.754 -13.210 266 HZ1 LYS 31 HZ1 LYS 31 1.689 4.776 -12.001 267 HZ2 LYS 31 HZ2 LYS 31 1.125 4.181 -10.524 268 HZ3 LYS 31 HZ3 LYS 31 0.240 5.356 -11.352 269 HA PRO 32 HA PRO 32 -4.816 4.369 -5.021 270 HB2 PRO 32 HB2 PRO 32 -5.796 6.588 -6.379 271 HB3 PRO 32 HB1 PRO 32 -4.411 6.595 -5.284 272 HG2 PRO 32 HG2 PRO 32 -4.471 6.417 -8.266 273 HG3 PRO 32 HG1 PRO 32 -3.377 7.340 -7.218 274 HD2 PRO 32 HD2 PRO 32 -2.571 5.071 -8.327 275 HD3 PRO 32 HD1 PRO 32 -2.137 5.448 -6.647 276 H VAL 33 HN VAL 33 -6.946 4.052 -4.702 277 HA VAL 33 HA VAL 33 -8.371 2.529 -6.588 278 HB VAL 33 HB VAL 33 -9.955 2.193 -4.977 279 HG11 VAL 33 HG11 VAL 33 -7.829 1.640 -3.995 280 HG12 VAL 33 HG12 VAL 33 -8.954 2.197 -2.761 281 HG13 VAL 33 HG13 VAL 33 -7.681 3.268 -3.341 282 HG21 VAL 33 HG21 VAL 33 -11.177 4.038 -4.583 283 HG22 VAL 33 HG22 VAL 33 -9.757 5.087 -4.484 284 HG23 VAL 33 HG23 VAL 33 -10.216 4.092 -3.100 285 H ASP 34 HN ASP 34 -10.140 3.030 -7.851 286 HA ASP 34 HA ASP 34 -10.198 5.821 -8.694 287 HB2 ASP 34 HB2 ASP 34 -11.460 3.360 -9.929 288 HB3 ASP 34 HB1 ASP 34 -11.602 4.984 -10.585 289 H ALA 35 HN ALA 35 -11.195 6.459 -6.684 290 HA ALA 35 HA ALA 35 -13.587 5.501 -5.662 291 HB1 ALA 35 HB1 ALA 35 -12.880 6.909 -4.083 292 HB2 ALA 35 HB2 ALA 35 -13.608 8.204 -5.039 293 HB3 ALA 35 HB3 ALA 35 -11.902 7.813 -5.246 294 H SER 36 HN SER 36 -13.062 7.748 -8.302 295 HA SER 36 HA SER 36 -15.716 8.699 -8.514 296 HB2 SER 36 HB2 SER 36 -13.802 9.783 -9.636 297 HB3 SER 36 HB1 SER 36 -13.633 8.380 -10.691 298 HG SER 36 HG SER 36 -16.049 9.844 -10.518 299 H ALA 37 HN ALA 37 -14.040 5.951 -10.003 300 HA ALA 37 HA ALA 37 -16.380 5.134 -11.489 301 HB1 ALA 37 HB1 ALA 37 -13.666 3.873 -11.106 302 HB2 ALA 37 HB2 ALA 37 -14.239 4.785 -12.507 303 HB3 ALA 37 HB3 ALA 37 -14.933 3.206 -12.139 304 H LEU 38 HN LEU 38 -14.899 4.452 -8.464 305 HA LEU 38 HA LEU 38 -16.259 1.964 -8.000 306 HB2 LEU 38 HB2 LEU 38 -14.554 3.771 -6.308 307 HB3 LEU 38 HB1 LEU 38 -15.313 2.333 -5.655 308 HG LEU 38 HG LEU 38 -13.517 2.188 -8.059 309 HD11 LEU 38 HD11 LEU 38 -12.692 2.112 -5.154 310 HD12 LEU 38 HD12 LEU 38 -12.171 3.258 -6.387 311 HD13 LEU 38 HD13 LEU 38 -11.693 1.566 -6.499 312 HD21 LEU 38 HD21 LEU 38 -14.233 0.181 -5.929 313 HD22 LEU 38 HD22 LEU 38 -13.263 -0.114 -7.372 314 HD23 LEU 38 HD23 LEU 38 -14.974 0.278 -7.525 315 H GLY 39 HN GLY 39 -17.149 5.211 -7.812 316 HA2 GLY 39 HA2 GLY 39 -19.224 6.080 -7.227 317 HA3 GLY 39 HA1 GLY 39 -19.654 4.517 -6.552 318 H LEU 40 HN LEU 40 -16.680 5.562 -5.437 319 HA LEU 40 HA LEU 40 -17.755 5.946 -2.788 320 HB2 LEU 40 HB2 LEU 40 -14.868 6.203 -3.567 321 HB3 LEU 40 HB1 LEU 40 -15.543 5.709 -2.025 322 HG LEU 40 HG LEU 40 -15.405 4.118 -4.572 323 HD11 LEU 40 HD11 LEU 40 -13.420 3.715 -3.600 324 HD12 LEU 40 HD12 LEU 40 -14.365 2.546 -2.699 325 HD13 LEU 40 HD13 LEU 40 -13.991 4.109 -1.985 326 HD21 LEU 40 HD21 LEU 40 -16.854 3.417 -2.039 327 HD22 LEU 40 HD22 LEU 40 -16.561 2.319 -3.378 328 HD23 LEU 40 HD23 LEU 40 -17.586 3.734 -3.603 329 H HIS 41 HN HIS 41 -18.747 7.917 -2.720 330 HA HIS 41 HA HIS 41 -17.438 10.278 -3.793 331 HB2 HIS 41 HB2 HIS 41 -20.049 10.013 -2.270 332 HB3 HIS 41 HB1 HIS 41 -19.469 11.474 -3.054 333 HD1 HIS 41 HD1 HIS 41 -19.550 11.560 -5.640 334 HD2 HIS 41 HD2 HIS 41 -21.272 8.125 -4.015 335 HE1 HIS 41 HE1 HIS 41 -20.864 10.505 -7.501 336 HE2 HIS 41 HE2 HIS 41 -21.706 8.335 -6.547 337 H ASP 42 HN ASP 42 -17.002 8.586 -1.033 338 HA ASP 42 HA ASP 42 -16.404 11.025 0.497 339 HB2 ASP 42 HB2 ASP 42 -16.829 9.558 2.563 340 HB3 ASP 42 HB1 ASP 42 -18.227 10.121 1.656 341 H TYR 43 HN TYR 43 -14.678 9.244 -1.241 342 HA TYR 43 HA TYR 43 -13.052 7.699 0.481 343 HB2 TYR 43 HB2 TYR 43 -13.143 7.170 -1.860 344 HB3 TYR 43 HB1 TYR 43 -12.578 8.768 -2.307 345 HD1 TYR 43 HD1 TYR 43 -11.603 5.529 -0.899 346 HD2 TYR 43 HD2 TYR 43 -10.237 9.303 -2.277 347 HE1 TYR 43 HE1 TYR 43 -9.302 4.667 -0.937 348 HE2 TYR 43 HE2 TYR 43 -7.940 8.459 -2.317 349 HH TYR 43 HH TYR 43 -7.188 5.099 -1.809 350 H HIS 44 HN HIS 44 -12.819 11.021 -0.680 351 HA HIS 44 HA HIS 44 -10.208 11.337 0.535 352 HB2 HIS 44 HB2 HIS 44 -11.998 13.224 -0.984 353 HB3 HIS 44 HB1 HIS 44 -10.524 13.767 -0.192 354 HD1 HIS 44 HD1 HIS 44 -8.284 13.126 -1.272 355 HD2 HIS 44 HD2 HIS 44 -11.606 11.612 -3.270 356 HE1 HIS 44 HE1 HIS 44 -7.421 12.255 -3.470 357 HE2 HIS 44 HE2 HIS 44 -9.429 11.260 -4.621 358 H ASP 45 HN ASP 45 -13.268 11.277 1.710 359 HA ASP 45 HA ASP 45 -12.888 13.318 3.746 360 HB2 ASP 45 HB2 ASP 45 -15.078 11.287 3.295 361 HB3 ASP 45 HB1 ASP 45 -15.041 12.369 4.677 362 H ILE 46 HN ILE 46 -12.567 9.880 3.333 363 HA ILE 46 HA ILE 46 -12.121 9.484 6.192 364 HB ILE 46 HB ILE 46 -12.555 7.580 3.896 365 HG12 ILE 46 HG12 ILE 46 -14.323 6.718 5.394 366 HG13 ILE 46 HG11 ILE 46 -13.937 7.972 6.564 367 HG21 ILE 46 HG21 ILE 46 -10.948 6.319 4.941 368 HG22 ILE 46 HG22 ILE 46 -12.371 5.818 5.842 369 HG23 ILE 46 HG23 ILE 46 -11.268 7.011 6.523 370 HD11 ILE 46 HD11 ILE 46 -14.935 8.463 3.763 371 HD12 ILE 46 HD12 ILE 46 -14.639 9.675 5.009 372 HD13 ILE 46 HD13 ILE 46 -15.923 8.488 5.224 373 H ILE 47 HN ILE 47 -10.428 9.084 3.096 374 HA ILE 47 HA ILE 47 -8.031 8.178 4.462 375 HB ILE 47 HB ILE 47 -8.398 8.749 1.523 376 HG12 ILE 47 HG12 ILE 47 -9.963 7.001 2.470 377 HG13 ILE 47 HG11 ILE 47 -8.892 6.433 1.194 378 HG21 ILE 47 HG21 ILE 47 -6.467 7.086 1.413 379 HG22 ILE 47 HG22 ILE 47 -6.277 7.375 3.137 380 HG23 ILE 47 HG23 ILE 47 -6.104 8.706 1.997 381 HD11 ILE 47 HD11 ILE 47 -8.476 6.036 4.137 382 HD12 ILE 47 HD12 ILE 47 -7.456 5.412 2.843 383 HD13 ILE 47 HD13 ILE 47 -9.106 4.837 3.017 384 H LYS 48 HN LYS 48 -6.932 9.768 5.493 385 HA LYS 48 HA LYS 48 -6.589 12.344 4.273 386 HB2 LYS 48 HB2 LYS 48 -5.846 11.145 6.896 387 HB3 LYS 48 HB1 LYS 48 -5.042 12.612 6.350 388 HG2 LYS 48 HG2 LYS 48 -6.943 13.157 7.751 389 HG3 LYS 48 HG1 LYS 48 -7.213 13.692 6.093 390 HD2 LYS 48 HD2 LYS 48 -8.417 11.502 5.741 391 HD3 LYS 48 HD1 LYS 48 -8.437 11.350 7.505 392 HE2 LYS 48 HE2 LYS 48 -9.667 13.484 5.792 393 HE3 LYS 48 HE1 LYS 48 -10.501 12.330 6.827 394 HZ1 LYS 48 HZ1 LYS 48 -9.517 13.413 8.755 395 HZ2 LYS 48 HZ2 LYS 48 -10.414 14.516 7.838 396 HZ3 LYS 48 HZ3 LYS 48 -8.729 14.524 7.754 397 H HIS 49 HN HIS 49 -4.838 9.370 4.531 398 HA HIS 49 HA HIS 49 -2.530 10.642 3.192 399 HB2 HIS 49 HB2 HIS 49 -2.585 8.343 5.140 400 HB3 HIS 49 HB1 HIS 49 -1.195 8.695 4.119 401 HD1 HIS 49 HD1 HIS 49 0.199 10.790 4.692 402 HD2 HIS 49 HD2 HIS 49 -2.977 10.100 7.279 403 HE1 HIS 49 HE1 HIS 49 0.599 12.291 6.664 404 HE2 HIS 49 HE2 HIS 49 -1.233 11.715 8.291 405 HA PRO 50 HA PRO 50 -4.331 7.415 0.299 406 HB2 PRO 50 HB2 PRO 50 -4.497 9.025 -1.876 407 HB3 PRO 50 HB1 PRO 50 -5.802 8.880 -0.694 408 HG2 PRO 50 HG2 PRO 50 -3.700 10.999 -0.947 409 HG3 PRO 50 HG1 PRO 50 -5.437 11.177 -0.634 410 HD2 PRO 50 HD2 PRO 50 -3.598 11.314 1.347 411 HD3 PRO 50 HD1 PRO 50 -5.227 10.647 1.603 412 H MET 51 HN MET 51 -2.476 6.244 0.119 413 HA MET 51 HA MET 51 -0.457 7.263 -1.755 414 HB2 MET 51 HB2 MET 51 0.501 7.547 0.440 415 HB3 MET 51 HB1 MET 51 0.060 5.912 0.913 416 HG2 MET 51 HG2 MET 51 2.470 6.173 0.409 417 HG3 MET 51 HG1 MET 51 1.674 4.987 -0.634 418 HE1 MET 51 HE1 MET 51 2.752 8.681 -0.327 419 HE2 MET 51 HE2 MET 51 1.221 8.909 -1.160 420 HE3 MET 51 HE3 MET 51 2.741 9.263 -1.985 421 H ASP 52 HN ASP 52 0.677 5.666 -2.915 422 HA ASP 52 HA ASP 52 -0.277 2.910 -2.729 423 HB2 ASP 52 HB2 ASP 52 -0.556 2.772 -5.176 424 HB3 ASP 52 HB1 ASP 52 -1.664 3.951 -4.480 425 H LEU 53 HN LEU 53 1.155 1.428 -4.012 426 HA LEU 53 HA LEU 53 3.824 1.859 -3.241 427 HB2 LEU 53 HB2 LEU 53 2.487 -0.169 -4.980 428 HB3 LEU 53 HB1 LEU 53 4.229 -0.155 -4.815 429 HG LEU 53 HG LEU 53 2.372 -0.300 -2.456 430 HD11 LEU 53 HD11 LEU 53 2.084 -2.183 -4.051 431 HD12 LEU 53 HD12 LEU 53 2.630 -2.664 -2.451 432 HD13 LEU 53 HD13 LEU 53 3.772 -2.600 -3.797 433 HD21 LEU 53 HD21 LEU 53 4.551 0.424 -1.858 434 HD22 LEU 53 HD22 LEU 53 5.305 -0.831 -2.833 435 HD23 LEU 53 HD23 LEU 53 4.400 -1.264 -1.383 436 H SER 54 HN SER 54 2.198 2.418 -6.286 437 HA SER 54 HA SER 54 4.587 2.714 -7.816 438 HB2 SER 54 HB2 SER 54 2.584 2.179 -9.001 439 HB3 SER 54 HB1 SER 54 1.747 3.596 -8.357 440 HG SER 54 HG SER 54 4.008 3.630 -10.079 441 H THR 55 HN THR 55 2.672 4.905 -5.847 442 HA THR 55 HA THR 55 4.148 7.245 -6.675 443 HB THR 55 HB THR 55 2.415 6.989 -4.214 444 HG1 THR 55 HG1 THR 55 0.929 6.656 -5.768 445 HG21 THR 55 HG21 THR 55 4.021 8.927 -4.540 446 HG22 THR 55 HG22 THR 55 2.333 9.336 -4.246 447 HG23 THR 55 HG23 THR 55 2.993 9.424 -5.880 448 H VAL 56 HN VAL 56 4.270 4.954 -3.984 449 HA VAL 56 HA VAL 56 6.218 6.248 -2.428 450 HB VAL 56 HB VAL 56 5.809 3.280 -2.872 451 HG11 VAL 56 HG11 VAL 56 8.058 3.732 -2.011 452 HG12 VAL 56 HG12 VAL 56 7.048 2.964 -0.780 453 HG13 VAL 56 HG13 VAL 56 7.364 4.697 -0.704 454 HG21 VAL 56 HG21 VAL 56 3.881 4.558 -1.928 455 HG22 VAL 56 HG22 VAL 56 4.913 5.010 -0.570 456 HG23 VAL 56 HG23 VAL 56 4.520 3.315 -0.851 457 H LYS 57 HN LYS 57 6.480 4.006 -5.112 458 HA LYS 57 HA LYS 57 9.288 3.920 -5.258 459 HB2 LYS 57 HB2 LYS 57 7.215 2.653 -6.526 460 HB3 LYS 57 HB1 LYS 57 7.860 3.665 -7.809 461 HG2 LYS 57 HG2 LYS 57 10.089 2.717 -7.395 462 HG3 LYS 57 HG1 LYS 57 9.395 1.664 -6.180 463 HD2 LYS 57 HD2 LYS 57 7.915 0.700 -7.902 464 HD3 LYS 57 HD1 LYS 57 8.736 1.688 -9.112 465 HE2 LYS 57 HE2 LYS 57 10.070 -0.324 -7.313 466 HE3 LYS 57 HE1 LYS 57 9.608 -0.625 -8.993 467 HZ1 LYS 57 HZ1 LYS 57 11.937 -0.029 -8.846 468 HZ2 LYS 57 HZ2 LYS 57 11.559 1.421 -8.067 469 HZ3 LYS 57 HZ3 LYS 57 11.090 1.180 -9.671 470 H ARG 58 HN ARG 58 6.857 5.914 -6.814 471 HA ARG 58 HA ARG 58 8.426 7.426 -8.538 472 HB2 ARG 58 HB2 ARG 58 5.974 7.445 -8.459 473 HB3 ARG 58 HB1 ARG 58 6.025 8.267 -6.911 474 HG2 ARG 58 HG2 ARG 58 7.060 10.208 -7.967 475 HG3 ARG 58 HG1 ARG 58 6.998 9.394 -9.527 476 HD2 ARG 58 HD2 ARG 58 4.581 9.306 -9.408 477 HD3 ARG 58 HD1 ARG 58 4.621 10.020 -7.798 478 HE ARG 58 HE ARG 58 5.908 11.793 -9.502 479 HH11 ARG 58 HH11 ARG 58 2.722 10.401 -9.145 480 HH12 ARG 58 HH12 ARG 58 1.893 11.797 -9.753 481 HH21 ARG 58 HH21 ARG 58 4.828 13.647 -10.303 482 HH22 ARG 58 HH22 ARG 58 3.097 13.648 -10.422 483 H LYS 59 HN LYS 59 7.557 8.119 -5.163 484 HA LYS 59 HA LYS 59 9.161 10.477 -5.009 485 HB2 LYS 59 HB2 LYS 59 7.881 8.772 -2.863 486 HB3 LYS 59 HB1 LYS 59 8.663 10.323 -2.571 487 HG2 LYS 59 HG2 LYS 59 7.029 11.512 -3.728 488 HG3 LYS 59 HG1 LYS 59 6.435 10.072 -4.551 489 HD2 LYS 59 HD2 LYS 59 4.905 10.903 -2.784 490 HD3 LYS 59 HD1 LYS 59 5.443 9.246 -2.522 491 HE2 LYS 59 HE2 LYS 59 7.113 11.304 -1.253 492 HE3 LYS 59 HE1 LYS 59 5.462 11.206 -0.637 493 HZ1 LYS 59 HZ1 LYS 59 5.785 8.857 -0.195 494 HZ2 LYS 59 HZ2 LYS 59 6.975 9.770 0.590 495 HZ3 LYS 59 HZ3 LYS 59 7.357 8.925 -0.823 496 H MET 60 HN MET 60 9.699 7.081 -4.287 497 HA MET 60 HA MET 60 12.248 7.372 -3.096 498 HB2 MET 60 HB2 MET 60 11.041 5.232 -3.029 499 HB3 MET 60 HB1 MET 60 11.174 5.092 -4.777 500 HG2 MET 60 HG2 MET 60 13.712 5.202 -4.374 501 HG3 MET 60 HG1 MET 60 13.306 4.833 -2.701 502 HE1 MET 60 HE1 MET 60 11.774 2.775 -2.048 503 HE2 MET 60 HE2 MET 60 11.405 1.424 -3.116 504 HE3 MET 60 HE3 MET 60 10.623 2.985 -3.365 505 H GLU 61 HN GLU 61 11.163 7.203 -6.454 506 HA GLU 61 HA GLU 61 13.715 7.080 -7.655 507 HB2 GLU 61 HB2 GLU 61 11.046 8.070 -8.639 508 HB3 GLU 61 HB1 GLU 61 12.482 8.143 -9.645 509 HG2 GLU 61 HG2 GLU 61 12.717 5.664 -9.279 510 HG3 GLU 61 HG1 GLU 61 11.114 5.706 -8.549 511 H ASN 62 HN ASN 62 11.796 9.714 -6.419 512 HA ASN 62 HA ASN 62 13.542 11.738 -7.527 513 HB2 ASN 62 HB2 ASN 62 11.172 11.860 -5.660 514 HB3 ASN 62 HB1 ASN 62 12.138 13.278 -6.041 515 HD21 ASN 62 HD21 ASN 62 11.492 10.755 -8.373 516 HD22 ASN 62 HD22 ASN 62 10.436 11.683 -9.374 517 H ARG 63 HN ARG 63 13.705 9.590 -5.117 518 HA ARG 63 HA ARG 63 15.067 9.214 -3.367 519 HB2 ARG 63 HB2 ARG 63 16.706 11.454 -4.551 520 HB3 ARG 63 HB1 ARG 63 17.282 10.181 -3.487 521 HG2 ARG 63 HG2 ARG 63 16.108 9.673 -6.212 522 HG3 ARG 63 HG1 ARG 63 17.834 9.872 -5.889 523 HD2 ARG 63 HD2 ARG 63 18.005 7.886 -4.753 524 HD3 ARG 63 HD1 ARG 63 16.302 7.857 -4.309 525 HE ARG 63 HE ARG 63 15.806 6.865 -6.332 526 HH11 ARG 63 HH11 ARG 63 19.147 7.910 -6.326 527 HH12 ARG 63 HH12 ARG 63 19.560 6.997 -7.741 528 HH21 ARG 63 HH21 ARG 63 16.367 5.645 -8.186 529 HH22 ARG 63 HH22 ARG 63 17.991 5.710 -8.791 530 H ASP 64 HN ASP 64 12.899 11.040 -2.990 531 HA ASP 64 HA ASP 64 13.794 13.076 -1.175 532 HB2 ASP 64 HB2 ASP 64 11.116 11.857 -1.784 533 HB3 ASP 64 HB1 ASP 64 11.316 12.961 -0.429 534 H TYR 65 HN TYR 65 13.455 9.737 -0.971 535 HA TYR 65 HA TYR 65 12.989 9.587 1.874 536 HB2 TYR 65 HB2 TYR 65 13.831 7.456 -0.109 537 HB3 TYR 65 HB1 TYR 65 13.406 7.159 1.571 538 HD1 TYR 65 HD1 TYR 65 11.659 5.602 1.051 539 HD2 TYR 65 HD2 TYR 65 11.540 9.544 -0.530 540 HE1 TYR 65 HE1 TYR 65 9.321 5.259 0.371 541 HE2 TYR 65 HE2 TYR 65 9.211 9.210 -1.197 542 HH TYR 65 HH TYR 65 7.324 6.607 -0.124 543 H ARG 66 HN ARG 66 14.523 9.376 3.438 544 HA ARG 66 HA ARG 66 17.311 9.445 2.563 545 HB2 ARG 66 HB2 ARG 66 16.725 11.188 4.124 546 HB3 ARG 66 HB1 ARG 66 16.011 10.025 5.231 547 HG2 ARG 66 HG2 ARG 66 18.122 10.716 6.103 548 HG3 ARG 66 HG1 ARG 66 18.264 9.041 5.568 549 HD2 ARG 66 HD2 ARG 66 19.115 10.105 3.352 550 HD3 ARG 66 HD1 ARG 66 19.403 11.528 4.360 551 HE ARG 66 HE ARG 66 20.646 9.727 5.807 552 HH11 ARG 66 HH11 ARG 66 20.648 10.062 2.322 553 HH12 ARG 66 HH12 ARG 66 22.233 9.386 2.132 554 HH21 ARG 66 HH21 ARG 66 22.723 8.828 5.559 555 HH22 ARG 66 HH22 ARG 66 23.409 8.672 3.972 556 H ASP 67 HN ASP 67 15.009 7.419 4.239 557 HA ASP 67 HA ASP 67 17.012 5.317 4.402 558 HB2 ASP 67 HB2 ASP 67 15.572 6.441 6.807 559 HB3 ASP 67 HB1 ASP 67 16.222 4.810 6.787 560 H ALA 68 HN ALA 68 15.976 3.239 5.094 561 HA ALA 68 HA ALA 68 13.698 2.792 3.445 562 HB1 ALA 68 HB1 ALA 68 15.038 0.971 5.427 563 HB2 ALA 68 HB2 ALA 68 15.432 1.102 3.712 564 HB3 ALA 68 HB3 ALA 68 13.860 0.477 4.213 565 H GLN 69 HN GLN 69 14.149 3.668 6.711 566 HA GLN 69 HA GLN 69 11.741 2.647 7.788 567 HB2 GLN 69 HB2 GLN 69 13.596 3.488 9.207 568 HB3 GLN 69 HB1 GLN 69 13.277 5.116 8.625 569 HG2 GLN 69 HG2 GLN 69 12.197 5.076 10.659 570 HG3 GLN 69 HG1 GLN 69 10.912 4.754 9.498 571 HE21 GLN 69 HE21 GLN 69 13.347 2.482 10.616 572 HE22 GLN 69 HE22 GLN 69 12.240 1.407 11.398 573 H GLU 70 HN GLU 70 12.649 5.590 6.125 574 HA GLU 70 HA GLU 70 10.164 6.914 6.347 575 HB2 GLU 70 HB2 GLU 70 12.453 7.230 4.405 576 HB3 GLU 70 HB1 GLU 70 11.050 8.296 4.453 577 HG2 GLU 70 HG2 GLU 70 11.579 8.944 6.718 578 HG3 GLU 70 HG1 GLU 70 12.931 7.816 6.750 579 H PHE 71 HN PHE 71 11.548 4.644 4.079 580 HA PHE 71 HA PHE 71 9.401 4.652 2.241 581 HB2 PHE 71 HB2 PHE 71 11.261 3.571 1.385 582 HB3 PHE 71 HB1 PHE 71 11.613 2.734 2.889 583 HD1 PHE 71 HD1 PHE 71 9.531 2.758 -0.128 584 HD2 PHE 71 HD2 PHE 71 10.599 0.609 3.379 585 HE1 PHE 71 HE1 PHE 71 8.413 0.753 -1.020 586 HE2 PHE 71 HE2 PHE 71 9.474 -1.392 2.506 587 HZ PHE 71 HZ PHE 71 8.388 -1.326 0.295 588 H ALA 72 HN ALA 72 10.137 2.516 5.009 589 HA ALA 72 HA ALA 72 7.835 0.985 4.976 590 HB1 ALA 72 HB1 ALA 72 9.558 1.869 7.279 591 HB2 ALA 72 HB2 ALA 72 9.629 0.346 6.391 592 HB3 ALA 72 HB3 ALA 72 8.251 0.694 7.436 593 H ALA 73 HN ALA 73 8.436 4.125 6.428 594 HA ALA 73 HA ALA 73 6.070 4.585 7.760 595 HB1 ALA 73 HB1 ALA 73 7.978 6.375 6.314 596 HB2 ALA 73 HB2 ALA 73 7.721 6.188 8.051 597 HB3 ALA 73 HB3 ALA 73 6.520 7.027 7.068 598 H ASP 74 HN ASP 74 6.833 5.117 4.351 599 HA ASP 74 HA ASP 74 4.278 6.273 3.761 600 HB2 ASP 74 HB2 ASP 74 6.733 6.411 2.602 601 HB3 ASP 74 HB1 ASP 74 5.925 5.279 1.523 602 H VAL 75 HN VAL 75 5.808 3.129 3.078 603 HA VAL 75 HA VAL 75 3.630 2.171 1.516 604 HB VAL 75 HB VAL 75 5.754 1.173 1.117 605 HG11 VAL 75 HG11 VAL 75 6.849 1.460 3.218 606 HG12 VAL 75 HG12 VAL 75 6.869 -0.258 2.817 607 HG13 VAL 75 HG13 VAL 75 5.723 0.357 4.010 608 HG21 VAL 75 HG21 VAL 75 5.266 -1.272 1.512 609 HG22 VAL 75 HG22 VAL 75 4.003 -0.357 0.683 610 HG23 VAL 75 HG23 VAL 75 3.827 -0.749 2.392 611 H ARG 76 HN ARG 76 4.476 1.742 4.968 612 HA ARG 76 HA ARG 76 2.328 -0.111 5.348 613 HB2 ARG 76 HB2 ARG 76 3.012 -0.329 7.506 614 HB3 ARG 76 HB1 ARG 76 4.478 0.373 6.841 615 HG2 ARG 76 HG2 ARG 76 3.803 2.564 7.641 616 HG3 ARG 76 HG1 ARG 76 2.305 1.892 8.265 617 HD2 ARG 76 HD2 ARG 76 3.534 0.501 9.819 618 HD3 ARG 76 HD1 ARG 76 5.068 1.071 9.166 619 HE ARG 76 HE ARG 76 4.050 3.368 9.926 620 HH11 ARG 76 HH11 ARG 76 4.007 0.301 11.618 621 HH12 ARG 76 HH12 ARG 76 3.965 1.031 13.190 622 HH21 ARG 76 HH21 ARG 76 4.005 4.323 11.981 623 HH22 ARG 76 HH22 ARG 76 3.960 3.323 13.398 624 H LEU 77 HN LEU 77 2.649 3.371 5.464 625 HA LEU 77 HA LEU 77 0.166 3.994 6.625 626 HB2 LEU 77 HB2 LEU 77 2.262 5.368 5.294 627 HB3 LEU 77 HB1 LEU 77 0.763 5.809 4.501 628 HG LEU 77 HG LEU 77 1.412 6.144 7.424 629 HD11 LEU 77 HD11 LEU 77 1.085 8.037 5.134 630 HD12 LEU 77 HD12 LEU 77 2.501 7.803 6.154 631 HD13 LEU 77 HD13 LEU 77 1.048 8.551 6.818 632 HD21 LEU 77 HD21 LEU 77 -1.139 6.510 5.889 633 HD22 LEU 77 HD22 LEU 77 -0.814 7.394 7.380 634 HD23 LEU 77 HD23 LEU 77 -0.877 5.632 7.396 635 H MET 78 HN MET 78 1.096 3.086 3.366 636 HA MET 78 HA MET 78 -1.351 3.486 2.063 637 HB2 MET 78 HB2 MET 78 0.770 2.928 0.920 638 HB3 MET 78 HB1 MET 78 0.698 1.306 1.587 639 HG2 MET 78 HG2 MET 78 -1.442 0.959 0.302 640 HG3 MET 78 HG1 MET 78 -1.148 2.535 -0.452 641 HE1 MET 78 HE1 MET 78 1.754 -0.031 0.531 642 HE2 MET 78 HE2 MET 78 1.640 -1.115 -0.855 643 HE3 MET 78 HE3 MET 78 0.290 -0.977 0.270 644 H PHE 79 HN PHE 79 -0.084 0.570 3.708 645 HA PHE 79 HA PHE 79 -2.479 -0.917 3.422 646 HB2 PHE 79 HB2 PHE 79 -0.286 -1.207 5.491 647 HB3 PHE 79 HB1 PHE 79 -1.561 -2.387 5.194 648 HD1 PHE 79 HD1 PHE 79 -1.738 -2.856 2.464 649 HD2 PHE 79 HD2 PHE 79 1.744 -1.844 4.686 650 HE1 PHE 79 HE1 PHE 79 -0.339 -3.929 0.750 651 HE2 PHE 79 HE2 PHE 79 3.153 -2.909 2.978 652 HZ PHE 79 HZ PHE 79 2.126 -3.948 0.998 653 H SER 80 HN SER 80 -1.415 1.420 5.809 654 HA SER 80 HA SER 80 -3.340 0.816 7.782 655 HB2 SER 80 HB2 SER 80 -1.825 3.386 7.287 656 HB3 SER 80 HB1 SER 80 -2.726 3.000 8.753 657 HG SER 80 HG SER 80 -0.526 1.509 7.727 658 H ASN 81 HN ASN 81 -3.326 3.217 5.114 659 HA ASN 81 HA ASN 81 -5.801 4.352 5.882 660 HB2 ASN 81 HB2 ASN 81 -5.870 5.500 3.771 661 HB3 ASN 81 HB1 ASN 81 -4.203 5.489 4.324 662 HD21 ASN 81 HD21 ASN 81 -2.697 4.800 2.974 663 HD22 ASN 81 HD22 ASN 81 -2.992 3.985 1.479 664 H CYS 82 HN CYS 82 -4.959 1.586 3.897 665 HA CYS 82 HA CYS 82 -7.487 1.024 2.826 666 HB2 CYS 82 HB2 CYS 82 -5.403 -0.974 3.754 667 HB3 CYS 82 HB1 CYS 82 -6.726 -1.299 2.641 668 HG CYS 82 HG CYS 82 -4.205 0.920 1.974 669 H TYR 83 HN TYR 83 -6.093 0.149 5.993 670 HA TYR 83 HA TYR 83 -8.356 -1.393 6.795 671 HB2 TYR 83 HB2 TYR 83 -6.226 -0.094 8.508 672 HB3 TYR 83 HB1 TYR 83 -7.449 -1.228 9.086 673 HD1 TYR 83 HD1 TYR 83 -7.304 -3.101 6.647 674 HD2 TYR 83 HD2 TYR 83 -4.266 -1.383 9.114 675 HE1 TYR 83 HE1 TYR 83 -5.823 -4.996 6.154 676 HE2 TYR 83 HE2 TYR 83 -2.808 -3.286 8.632 677 HH TYR 83 HH TYR 83 -3.318 -5.429 6.142 678 H LYS 84 HN LYS 84 -7.637 1.998 6.833 679 HA LYS 84 HA LYS 84 -9.539 2.758 8.802 680 HB2 LYS 84 HB2 LYS 84 -8.376 4.298 6.481 681 HB3 LYS 84 HB1 LYS 84 -9.472 4.996 7.656 682 HG2 LYS 84 HG2 LYS 84 -7.857 4.521 9.434 683 HG3 LYS 84 HG1 LYS 84 -6.744 3.867 8.227 684 HD2 LYS 84 HD2 LYS 84 -6.247 6.220 8.837 685 HD3 LYS 84 HD1 LYS 84 -6.608 6.009 7.124 686 HE2 LYS 84 HE2 LYS 84 -7.702 8.002 8.046 687 HE3 LYS 84 HE1 LYS 84 -8.882 6.818 7.476 688 HZ1 LYS 84 HZ1 LYS 84 -9.519 7.748 9.610 689 HZ2 LYS 84 HZ2 LYS 84 -8.063 7.245 10.306 690 HZ3 LYS 84 HZ3 LYS 84 -9.186 6.099 9.773 691 H TYR 85 HN TYR 85 -9.646 2.557 5.275 692 HA TYR 85 HA TYR 85 -12.273 3.652 5.140 693 HB2 TYR 85 HB2 TYR 85 -10.606 3.900 3.331 694 HB3 TYR 85 HB1 TYR 85 -10.737 2.177 2.987 695 HD1 TYR 85 HD1 TYR 85 -12.694 5.261 3.304 696 HD2 TYR 85 HD2 TYR 85 -12.475 1.453 1.445 697 HE1 TYR 85 HE1 TYR 85 -14.661 5.829 1.937 698 HE2 TYR 85 HE2 TYR 85 -14.438 2.006 0.076 699 HH TYR 85 HH TYR 85 -15.830 5.238 0.090 700 H ASN 86 HN ASN 86 -10.962 0.466 4.336 701 HA ASN 86 HA ASN 86 -13.609 -0.596 3.935 702 HB2 ASN 86 HB2 ASN 86 -10.935 -2.013 3.877 703 HB3 ASN 86 HB1 ASN 86 -12.463 -2.628 3.237 704 HD21 ASN 86 HD21 ASN 86 -9.833 -0.414 2.769 705 HD22 ASN 86 HD22 ASN 86 -10.207 0.000 1.132 706 HA PRO 87 HA PRO 87 -14.105 -2.058 8.133 707 HB2 PRO 87 HB2 PRO 87 -16.019 -3.959 7.456 708 HB3 PRO 87 HB1 PRO 87 -16.356 -2.278 7.876 709 HG2 PRO 87 HG2 PRO 87 -16.197 -3.571 5.204 710 HG3 PRO 87 HG1 PRO 87 -17.244 -2.251 5.760 711 HD2 PRO 87 HD2 PRO 87 -15.083 -1.838 4.189 712 HD3 PRO 87 HD1 PRO 87 -15.631 -0.650 5.389 713 HA PRO 88 HA PRO 88 -11.350 -5.352 8.579 714 HB2 PRO 88 HB2 PRO 88 -12.727 -6.954 10.397 715 HB3 PRO 88 HB1 PRO 88 -11.690 -5.584 10.796 716 HG2 PRO 88 HG2 PRO 88 -14.659 -5.706 10.540 717 HG3 PRO 88 HG1 PRO 88 -13.669 -4.803 11.701 718 HD2 PRO 88 HD2 PRO 88 -14.819 -3.568 9.645 719 HD3 PRO 88 HD1 PRO 88 -13.175 -3.130 10.161 720 H ASP 89 HN ASP 89 -14.581 -6.173 7.653 721 HA ASP 89 HA ASP 89 -13.565 -8.688 6.498 722 HB2 ASP 89 HB2 ASP 89 -15.487 -8.958 8.071 723 HB3 ASP 89 HB1 ASP 89 -16.464 -7.946 7.011 724 H HIS 90 HN HIS 90 -12.650 -7.629 4.703 725 HA HIS 90 HA HIS 90 -14.482 -7.312 2.514 726 HB2 HIS 90 HB2 HIS 90 -14.169 -4.982 3.803 727 HB3 HIS 90 HB1 HIS 90 -12.692 -4.942 2.862 728 HD1 HIS 90 HD1 HIS 90 -12.866 -4.413 0.391 729 HD2 HIS 90 HD2 HIS 90 -16.582 -4.815 2.176 730 HE1 HIS 90 HE1 HIS 90 -14.518 -3.617 -1.312 731 HE2 HIS 90 HE2 HIS 90 -16.757 -3.800 -0.182 732 H ASP 91 HN ASP 91 -13.318 -7.354 0.444 733 HA ASP 91 HA ASP 91 -11.171 -9.100 0.476 734 HB2 ASP 91 HB2 ASP 91 -12.133 -7.228 -1.673 735 HB3 ASP 91 HB1 ASP 91 -10.770 -8.308 -1.928 736 H VAL 92 HN VAL 92 -11.061 -5.567 0.314 737 HA VAL 92 HA VAL 92 -8.342 -5.436 -0.466 738 HB VAL 92 HB VAL 92 -9.225 -3.076 0.976 739 HG11 VAL 92 HG11 VAL 92 -7.365 -3.361 -0.708 740 HG12 VAL 92 HG12 VAL 92 -8.405 -1.958 -0.910 741 HG13 VAL 92 HG13 VAL 92 -8.618 -3.372 -1.942 742 HG21 VAL 92 HG21 VAL 92 -11.422 -3.844 0.298 743 HG22 VAL 92 HG22 VAL 92 -10.876 -4.016 -1.362 744 HG23 VAL 92 HG23 VAL 92 -10.957 -2.420 -0.617 745 H VAL 93 HN VAL 93 -9.884 -5.660 2.669 746 HA VAL 93 HA VAL 93 -7.476 -4.869 4.044 747 HB VAL 93 HB VAL 93 -8.585 -5.383 6.116 748 HG11 VAL 93 HG11 VAL 93 -10.633 -4.176 4.276 749 HG12 VAL 93 HG12 VAL 93 -9.223 -3.313 4.899 750 HG13 VAL 93 HG13 VAL 93 -10.459 -3.901 6.012 751 HG21 VAL 93 HG21 VAL 93 -10.811 -6.608 4.503 752 HG22 VAL 93 HG22 VAL 93 -10.777 -6.406 6.255 753 HG23 VAL 93 HG23 VAL 93 -9.634 -7.495 5.470 754 H ALA 94 HN ALA 94 -9.085 -7.851 3.142 755 HA ALA 94 HA ALA 94 -7.354 -9.627 4.491 756 HB1 ALA 94 HB1 ALA 94 -8.965 -10.059 1.974 757 HB2 ALA 94 HB2 ALA 94 -9.503 -10.360 3.625 758 HB3 ALA 94 HB3 ALA 94 -8.204 -11.328 2.931 759 H MET 95 HN MET 95 -7.289 -8.217 1.244 760 HA MET 95 HA MET 95 -4.883 -9.488 0.434 761 HB2 MET 95 HB2 MET 95 -6.230 -6.961 -0.544 762 HB3 MET 95 HB1 MET 95 -4.804 -7.660 -1.300 763 HG2 MET 95 HG2 MET 95 -6.142 -9.761 -1.657 764 HG3 MET 95 HG1 MET 95 -7.556 -8.869 -1.099 765 HE1 MET 95 HE1 MET 95 -8.240 -6.509 -2.229 766 HE2 MET 95 HE2 MET 95 -9.171 -7.862 -2.862 767 HE3 MET 95 HE3 MET 95 -8.544 -6.635 -3.959 768 H ALA 96 HN ALA 96 -5.596 -6.491 2.143 769 HA ALA 96 HA ALA 96 -2.960 -5.429 2.069 770 HB1 ALA 96 HB1 ALA 96 -4.726 -3.929 2.567 771 HB2 ALA 96 HB2 ALA 96 -3.737 -4.053 4.021 772 HB3 ALA 96 HB3 ALA 96 -5.272 -4.915 3.924 773 H ARG 97 HN ARG 97 -4.648 -7.612 4.250 774 HA ARG 97 HA ARG 97 -2.694 -7.612 6.304 775 HB2 ARG 97 HB2 ARG 97 -4.861 -9.576 5.583 776 HB3 ARG 97 HB1 ARG 97 -3.815 -9.780 6.981 777 HG2 ARG 97 HG2 ARG 97 -4.609 -7.705 7.930 778 HG3 ARG 97 HG1 ARG 97 -5.606 -7.406 6.504 779 HD2 ARG 97 HD2 ARG 97 -6.953 -8.292 8.323 780 HD3 ARG 97 HD1 ARG 97 -6.886 -9.439 6.985 781 HE ARG 97 HE ARG 97 -4.932 -9.850 9.084 782 HH11 ARG 97 HH11 ARG 97 -8.123 -10.632 7.872 783 HH12 ARG 97 HH12 ARG 97 -8.201 -12.156 8.695 784 HH21 ARG 97 HH21 ARG 97 -5.042 -11.855 10.187 785 HH22 ARG 97 HH22 ARG 97 -6.454 -12.846 10.022 786 H LYS 98 HN LYS 98 -3.261 -9.739 3.534 787 HA LYS 98 HA LYS 98 -1.172 -11.540 4.200 788 HB2 LYS 98 HB2 LYS 98 -3.051 -12.147 2.730 789 HB3 LYS 98 HB1 LYS 98 -2.449 -11.032 1.511 790 HG2 LYS 98 HG2 LYS 98 -0.390 -12.349 1.342 791 HG3 LYS 98 HG1 LYS 98 -1.010 -13.459 2.555 792 HD2 LYS 98 HD2 LYS 98 -2.823 -14.103 1.097 793 HD3 LYS 98 HD1 LYS 98 -2.323 -12.906 -0.099 794 HE2 LYS 98 HE2 LYS 98 -1.598 -15.236 -0.615 795 HE3 LYS 98 HE1 LYS 98 -0.291 -14.057 -0.520 796 HZ1 LYS 98 HZ1 LYS 98 -1.062 -15.944 1.641 797 HZ2 LYS 98 HZ2 LYS 98 0.208 -14.830 1.706 798 HZ3 LYS 98 HZ3 LYS 98 0.272 -16.117 0.614 799 H LEU 99 HN LEU 99 -1.338 -8.863 1.845 800 HA LEU 99 HA LEU 99 1.361 -8.908 1.104 801 HB2 LEU 99 HB2 LEU 99 -0.823 -6.934 0.946 802 HB3 LEU 99 HB1 LEU 99 0.792 -6.283 0.909 803 HG LEU 99 HG LEU 99 -0.711 -7.612 -1.197 804 HD11 LEU 99 HD11 LEU 99 1.902 -6.170 -1.338 805 HD12 LEU 99 HD12 LEU 99 0.372 -5.323 -1.113 806 HD13 LEU 99 HD13 LEU 99 0.646 -6.282 -2.568 807 HD21 LEU 99 HD21 LEU 99 2.193 -8.364 -0.985 808 HD22 LEU 99 HD22 LEU 99 1.011 -8.896 -2.181 809 HD23 LEU 99 HD23 LEU 99 0.888 -9.463 -0.520 810 H GLN 100 HN GLN 100 -0.216 -7.607 3.933 811 HA GLN 100 HA GLN 100 1.905 -6.038 4.908 812 HB2 GLN 100 HB2 GLN 100 -0.357 -6.020 5.911 813 HB3 GLN 100 HB1 GLN 100 -0.123 -7.672 6.465 814 HG2 GLN 100 HG2 GLN 100 0.177 -6.116 8.283 815 HG3 GLN 100 HG1 GLN 100 1.693 -6.935 7.916 816 HE21 GLN 100 HE21 GLN 100 3.386 -5.775 7.031 817 HE22 GLN 100 HE22 GLN 100 3.418 -4.045 7.032 818 H ASP 101 HN ASP 101 1.202 -9.487 5.120 819 HA ASP 101 HA ASP 101 3.244 -10.180 6.919 820 HB2 ASP 101 HB2 ASP 101 1.406 -11.704 6.413 821 HB3 ASP 101 HB1 ASP 101 1.976 -11.864 4.753 822 H VAL 102 HN VAL 102 3.236 -10.228 3.335 823 HA VAL 102 HA VAL 102 5.916 -11.113 3.148 824 HB VAL 102 HB VAL 102 4.697 -11.387 1.166 825 HG11 VAL 102 HG11 VAL 102 3.799 -9.417 -0.095 826 HG12 VAL 102 HG12 VAL 102 3.940 -8.519 1.414 827 HG13 VAL 102 HG13 VAL 102 2.903 -9.944 1.325 828 HG21 VAL 102 HG21 VAL 102 6.168 -8.979 0.252 829 HG22 VAL 102 HG22 VAL 102 6.122 -10.609 -0.427 830 HG23 VAL 102 HG23 VAL 102 7.086 -10.282 1.012 831 H PHE 103 HN PHE 103 4.584 -7.818 2.798 832 HA PHE 103 HA PHE 103 7.027 -6.506 2.554 833 HB2 PHE 103 HB2 PHE 103 5.289 -5.124 2.032 834 HB3 PHE 103 HB1 PHE 103 4.294 -5.655 3.383 835 HD1 PHE 103 HD1 PHE 103 7.565 -3.933 2.833 836 HD2 PHE 103 HD2 PHE 103 3.925 -4.056 5.065 837 HE1 PHE 103 HE1 PHE 103 8.267 -1.949 4.098 838 HE2 PHE 103 HE2 PHE 103 4.636 -2.076 6.321 839 HZ PHE 103 HZ PHE 103 6.804 -1.020 5.844 840 H GLU 104 HN GLU 104 5.308 -7.482 5.515 841 HA GLU 104 HA GLU 104 7.053 -6.036 7.240 842 HB2 GLU 104 HB2 GLU 104 5.925 -6.948 9.044 843 HB3 GLU 104 HB1 GLU 104 4.702 -6.999 7.789 844 HG2 GLU 104 HG2 GLU 104 5.062 -9.358 7.464 845 HG3 GLU 104 HG1 GLU 104 6.425 -9.338 8.580 846 H PHE 105 HN PHE 105 7.047 -9.352 6.013 847 HA PHE 105 HA PHE 105 9.231 -10.266 7.569 848 HB2 PHE 105 HB2 PHE 105 7.676 -11.774 6.336 849 HB3 PHE 105 HB1 PHE 105 8.377 -11.215 4.822 850 HD1 PHE 105 HD1 PHE 105 8.770 -13.385 7.689 851 HD2 PHE 105 HD2 PHE 105 10.733 -11.802 4.254 852 HE1 PHE 105 HE1 PHE 105 10.477 -15.148 7.847 853 HE2 PHE 105 HE2 PHE 105 12.434 -13.564 4.412 854 HZ PHE 105 HZ PHE 105 12.310 -15.241 6.209 855 H ARG 106 HN ARG 106 8.972 -8.813 4.361 856 HA ARG 106 HA ARG 106 11.656 -9.005 3.600 857 HB2 ARG 106 HB2 ARG 106 9.477 -7.037 2.885 858 HB3 ARG 106 HB1 ARG 106 11.058 -7.020 2.161 859 HG2 ARG 106 HG2 ARG 106 8.905 -8.306 1.154 860 HG3 ARG 106 HG1 ARG 106 10.570 -8.641 0.739 861 HD2 ARG 106 HD2 ARG 106 10.685 -10.395 2.358 862 HD3 ARG 106 HD1 ARG 106 9.046 -10.035 2.889 863 HE ARG 106 HE ARG 106 9.152 -10.580 0.094 864 HH11 ARG 106 HH11 ARG 106 9.166 -12.178 3.219 865 HH12 ARG 106 HH12 ARG 106 8.420 -13.625 2.625 866 HH21 ARG 106 HH21 ARG 106 8.150 -12.453 -0.675 867 HH22 ARG 106 HH22 ARG 106 7.861 -13.796 0.398 868 H TYR 107 HN TYR 107 9.894 -6.519 5.391 869 HA TYR 107 HA TYR 107 12.182 -4.807 5.607 870 HB2 TYR 107 HB2 TYR 107 9.787 -4.001 5.672 871 HB3 TYR 107 HB1 TYR 107 9.669 -4.682 7.292 872 HD1 TYR 107 HD1 TYR 107 11.214 -2.009 5.265 873 HD2 TYR 107 HD2 TYR 107 10.723 -3.632 9.168 874 HE1 TYR 107 HE1 TYR 107 12.164 0.032 6.232 875 HE2 TYR 107 HE2 TYR 107 11.656 -1.580 10.142 876 HH TYR 107 HH TYR 107 13.107 0.265 9.487 877 H ALA 108 HN ALA 108 10.668 -7.223 7.687 878 HA ALA 108 HA ALA 108 12.248 -6.741 9.983 879 HB1 ALA 108 HB1 ALA 108 10.164 -8.068 9.983 880 HB2 ALA 108 HB2 ALA 108 11.514 -8.911 10.741 881 HB3 ALA 108 HB3 ALA 108 11.009 -9.347 9.110 882 H LYS 109 HN LYS 109 12.662 -8.775 7.164 883 HA LYS 109 HA LYS 109 15.103 -9.995 7.965 884 HB2 LYS 109 HB2 LYS 109 13.630 -10.965 6.289 885 HB3 LYS 109 HB1 LYS 109 13.859 -9.574 5.243 886 HG2 LYS 109 HG2 LYS 109 16.221 -10.130 5.001 887 HG3 LYS 109 HG1 LYS 109 15.998 -11.530 6.051 888 HD2 LYS 109 HD2 LYS 109 14.656 -12.643 4.452 889 HD3 LYS 109 HD1 LYS 109 14.398 -11.160 3.528 890 HE2 LYS 109 HE2 LYS 109 15.968 -12.734 2.460 891 HE3 LYS 109 HE1 LYS 109 16.690 -11.164 2.805 892 HZ1 LYS 109 HZ1 LYS 109 18.146 -13.036 3.377 893 HZ2 LYS 109 HZ2 LYS 109 17.010 -13.577 4.507 894 HZ3 LYS 109 HZ3 LYS 109 17.776 -12.082 4.722 895 H MET 110 HN MET 110 14.224 -7.002 6.498 896 HA MET 110 HA MET 110 16.789 -6.284 5.496 897 HB2 MET 110 HB2 MET 110 14.935 -5.181 4.511 898 HB3 MET 110 HB1 MET 110 14.266 -4.735 6.072 899 HG2 MET 110 HG2 MET 110 16.920 -3.651 5.314 900 HG3 MET 110 HG1 MET 110 15.482 -2.981 4.549 901 HE1 MET 110 HE1 MET 110 16.026 -0.642 5.467 902 HE2 MET 110 HE2 MET 110 17.476 -1.214 6.297 903 HE3 MET 110 HE3 MET 110 16.284 -0.245 7.168 904 HA PRO 111 HA PRO 111 18.328 -4.875 9.481 905 HB2 PRO 111 HB2 PRO 111 20.926 -4.948 8.877 906 HB3 PRO 111 HB1 PRO 111 20.003 -6.428 9.143 907 HG2 PRO 111 HG2 PRO 111 20.961 -5.228 6.601 908 HG3 PRO 111 HG1 PRO 111 20.746 -6.931 7.031 909 HD2 PRO 111 HD2 PRO 111 18.971 -5.316 5.535 910 HD3 PRO 111 HD1 PRO 111 18.649 -6.949 6.177 911 H ASP 112 HN ASP 112 19.216 -2.945 10.254 912 HA ASP 112 HA ASP 112 19.254 -0.739 8.335 913 HB2 ASP 112 HB2 ASP 112 19.041 -0.856 11.336 914 HB3 ASP 112 HB1 ASP 112 19.417 0.649 10.504 915 H1 HIS 281 HT1 HIS 281 -26.944 8.853 10.584 916 H2 HIS 281 HT2 HIS 281 -26.649 7.799 9.296 917 H3 HIS 281 HT3 HIS 281 -25.629 9.120 9.557 918 HA HIS 281 HA HIS 281 -24.910 8.193 11.655 919 HB2 HIS 281 HB2 HIS 281 -26.658 5.864 10.824 920 HB3 HIS 281 HB1 HIS 281 -25.491 5.810 12.137 921 HD1 HIS 281 HD1 HIS 281 -26.018 7.577 14.163 922 HD2 HIS 281 HD2 HIS 281 -29.135 6.684 11.557 923 HE1 HIS 281 HE1 HIS 281 -28.123 8.262 15.356 924 HE2 HIS 281 HE2 HIS 281 -29.964 7.909 13.675 925 H ASN 282 HN ASN 282 -23.076 8.533 10.420 926 HA ASN 282 HA ASN 282 -21.182 7.969 9.316 927 HB2 ASN 282 HB2 ASN 282 -22.292 5.167 9.550 928 HB3 ASN 282 HB1 ASN 282 -20.730 5.529 8.826 929 HD21 ASN 282 HD21 ASN 282 -21.526 4.007 11.245 930 HD22 ASN 282 HD22 ASN 282 -20.605 4.699 12.536 931 H LEU 283 HN LEU 283 -23.357 5.576 7.863 932 HA LEU 283 HA LEU 283 -23.982 5.185 5.717 933 HB2 LEU 283 HB2 LEU 283 -25.324 7.216 6.337 934 HB3 LEU 283 HB1 LEU 283 -24.109 8.195 5.541 935 HG LEU 283 HG LEU 283 -24.627 7.103 3.398 936 HD11 LEU 283 HD11 LEU 283 -26.592 5.661 3.205 937 HD12 LEU 283 HD12 LEU 283 -26.787 5.688 4.956 938 HD13 LEU 283 HD13 LEU 283 -25.362 4.937 4.240 939 HD21 LEU 283 HD21 LEU 283 -25.768 9.158 3.992 940 HD22 LEU 283 HD22 LEU 283 -27.015 8.244 4.840 941 HD23 LEU 283 HD23 LEU 283 -26.848 8.095 3.091 942 H LEU 284 HN LEU 284 -21.339 4.952 5.965 943 HA LEU 284 HA LEU 284 -20.092 6.473 3.794 944 HB2 LEU 284 HB2 LEU 284 -18.868 4.669 5.887 945 HB3 LEU 284 HB1 LEU 284 -17.975 5.578 4.684 946 HG LEU 284 HG LEU 284 -19.642 6.776 6.898 947 HD11 LEU 284 HD11 LEU 284 -16.654 6.590 6.556 948 HD12 LEU 284 HD12 LEU 284 -17.626 5.726 7.748 949 HD13 LEU 284 HD13 LEU 284 -17.492 7.482 7.826 950 HD21 LEU 284 HD21 LEU 284 -19.650 8.216 4.972 951 HD22 LEU 284 HD22 LEU 284 -17.906 8.050 4.791 952 HD23 LEU 284 HD23 LEU 284 -18.570 8.891 6.191 953 H ARG 285 HN ARG 285 -18.768 5.312 2.251 954 HA ARG 285 HA ARG 285 -20.047 2.848 1.404 955 HB2 ARG 285 HB2 ARG 285 -17.994 4.664 0.169 956 HB3 ARG 285 HB1 ARG 285 -18.371 3.097 -0.536 957 HG2 ARG 285 HG2 ARG 285 -19.627 4.729 -1.706 958 HG3 ARG 285 HG1 ARG 285 -20.761 3.851 -0.679 959 HD2 ARG 285 HD2 ARG 285 -20.720 5.642 0.944 960 HD3 ARG 285 HD1 ARG 285 -19.496 6.493 0.006 961 HE ARG 285 HE ARG 285 -21.950 5.959 -1.416 962 HH11 ARG 285 HH11 ARG 285 -20.200 8.165 0.651 963 HH12 ARG 285 HH12 ARG 285 -21.132 9.556 0.172 964 HH21 ARG 285 HH21 ARG 285 -23.184 7.781 -2.057 965 HH22 ARG 285 HH22 ARG 285 -22.835 9.333 -1.366 966 H ILE 286 HN ILE 286 -18.547 1.070 0.549 967 HA ILE 286 HA ILE 286 -16.345 0.663 2.468 968 HB ILE 286 HB ILE 286 -16.930 -1.724 2.578 969 HG12 ILE 286 HG12 ILE 286 -19.413 -0.919 1.046 970 HG13 ILE 286 HG11 ILE 286 -18.079 -1.858 0.387 971 HG21 ILE 286 HG21 ILE 286 -18.927 -1.493 3.985 972 HG22 ILE 286 HG22 ILE 286 -19.181 0.131 3.342 973 HG23 ILE 286 HG23 ILE 286 -17.745 -0.223 4.304 974 HD11 ILE 286 HD11 ILE 286 -18.541 -3.624 2.021 975 HD12 ILE 286 HD12 ILE 286 -19.921 -3.296 0.975 976 HD13 ILE 286 HD13 ILE 286 -19.905 -2.686 2.629 977 HH31 ALY 287 HH1 ALY 287 -7.115 1.197 -1.213 978 HH32 ALY 287 HH2 ALY 287 -7.091 2.355 0.121 979 HH33 ALY 287 HH3 ALY 287 -7.221 0.628 0.456 980 HZ ALY 287 HZ1 ALY 287 -9.160 0.256 -1.818 981 HE3 ALY 287 HE2 ALY 287 -11.431 1.825 -1.682 982 HE2 ALY 287 HE1 ALY 287 -11.586 0.603 -0.419 983 HD3 ALY 287 HD2 ALY 287 -11.414 -1.168 -2.022 984 HD2 ALY 287 HD1 ALY 287 -11.023 -0.028 -3.310 985 HG3 ALY 287 HG2 ALY 287 -13.359 -0.826 -3.385 986 HG2 ALY 287 HG1 ALY 287 -13.219 0.923 -3.222 987 HB3 ALY 287 HB2 ALY 287 -13.550 0.630 -0.762 988 HB2 ALY 287 HB1 ALY 287 -13.900 -1.066 -1.071 989 HCA ALY 287 HA ALY 287 -15.418 1.163 -2.382 990 H ALY 287 HN ALY 287 -16.710 1.367 -0.523 991 H GLN 288 HN GLN 288 -16.019 0.261 -4.225 992 HA GLN 288 HA GLN 288 -17.571 -2.188 -4.114 993 HB2 GLN 288 HB2 GLN 288 -18.337 -0.114 -5.335 994 HB3 GLN 288 HB1 GLN 288 -17.057 -0.410 -6.502 995 HG2 GLN 288 HG2 GLN 288 -18.066 -2.584 -7.032 996 HG3 GLN 288 HG1 GLN 288 -19.367 -2.243 -5.892 997 HE21 GLN 288 HE21 GLN 288 -20.903 -0.679 -6.409 998 HE22 GLN 288 HE22 GLN 288 -21.106 -0.097 -8.024 999 H PHE 289 HN PHE 289 -15.270 -3.096 -3.546 1000 HA PHE 289 HA PHE 289 -13.857 -3.895 -5.982 1001 HB2 PHE 289 HB2 PHE 289 -13.168 -3.849 -3.087 1002 HB3 PHE 289 HB1 PHE 289 -12.447 -5.126 -4.057 1003 HD1 PHE 289 HD1 PHE 289 -13.105 -2.105 -5.869 1004 HD2 PHE 289 HD2 PHE 289 -10.278 -4.028 -3.329 1005 HE1 PHE 289 HE1 PHE 289 -11.364 -0.547 -6.628 1006 HE2 PHE 289 HE2 PHE 289 -8.539 -2.464 -4.086 1007 HZ PHE 289 HZ PHE 289 -9.079 -0.722 -5.735 1008 H LEU 290 HN LEU 290 -15.906 -5.065 -6.525 1009 HA LEU 290 HA LEU 290 -16.057 -7.665 -5.154 1010 HB2 LEU 290 HB2 LEU 290 -18.109 -6.212 -5.183 1011 HB3 LEU 290 HB1 LEU 290 -18.139 -6.386 -6.926 1012 HG LEU 290 HG LEU 290 -18.402 -8.839 -6.643 1013 HD11 LEU 290 HD11 LEU 290 -17.379 -9.102 -4.464 1014 HD12 LEU 290 HD12 LEU 290 -19.039 -9.694 -4.429 1015 HD13 LEU 290 HD13 LEU 290 -18.648 -8.125 -3.725 1016 HD21 LEU 290 HD21 LEU 290 -20.739 -8.748 -5.903 1017 HD22 LEU 290 HD22 LEU 290 -20.346 -7.429 -7.006 1018 HD23 LEU 290 HD23 LEU 290 -20.468 -7.123 -5.272 1019 H GLN 291 HN GLN 291 -14.274 -8.471 -6.340 1020 HA GLN 291 HA GLN 291 -14.427 -8.542 -9.233 1021 HB2 GLN 291 HB2 GLN 291 -12.360 -9.645 -7.319 1022 HB3 GLN 291 HB1 GLN 291 -12.241 -9.747 -9.067 1023 HG2 GLN 291 HG2 GLN 291 -10.890 -7.938 -8.413 1024 HG3 GLN 291 HG1 GLN 291 -12.345 -7.238 -9.118 1025 HE21 GLN 291 HE21 GLN 291 -12.128 -8.634 -5.901 1026 HE22 GLN 291 HE22 GLN 291 -12.391 -7.157 -5.045 1027 H SER 292 HN SER 292 -16.514 -9.758 -8.920 1028 HA SER 292 HA SER 292 -17.737 -11.634 -9.221 1029 HB2 SER 292 HB2 SER 292 -15.095 -12.837 -10.077 1030 HB3 SER 292 HB1 SER 292 -16.698 -13.466 -10.461 1031 HG SER 292 HG SER 292 -16.307 -12.272 -12.198 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 21.037 12.503 -1.777 2 H2 GLY 1 HT2 GLY 1 19.604 11.721 -1.346 3 H3 GLY 1 HT3 GLY 1 19.545 13.206 -2.148 4 HA2 GLY 1 HA1 GLY 1 19.029 11.458 -3.693 5 HA3 GLY 1 HA2 GLY 1 20.564 12.207 -4.111 6 H LYS 2 HN LYS 2 20.364 9.901 -5.225 7 HA LYS 2 HA LYS 2 21.310 7.859 -5.493 8 HB2 LYS 2 HB2 LYS 2 22.869 8.688 -3.054 9 HB3 LYS 2 HB1 LYS 2 23.135 7.170 -3.898 10 HG2 LYS 2 HG2 LYS 2 23.338 9.862 -5.219 11 HG3 LYS 2 HG1 LYS 2 24.709 9.010 -4.504 12 HD2 LYS 2 HD2 LYS 2 24.346 7.134 -6.021 13 HD3 LYS 2 HD1 LYS 2 22.945 7.953 -6.716 14 HE2 LYS 2 HE2 LYS 2 24.947 8.187 -8.117 15 HE3 LYS 2 HE1 LYS 2 24.359 9.742 -7.532 16 HZ1 LYS 2 HZ1 LYS 2 26.636 8.208 -6.399 17 HZ2 LYS 2 HZ2 LYS 2 26.066 9.688 -5.815 18 HZ3 LYS 2 HZ3 LYS 2 26.753 9.597 -7.357 19 H LEU 3 HN LEU 3 21.187 5.685 -4.782 20 HA LEU 3 HA LEU 3 19.300 5.314 -2.562 21 HB2 LEU 3 HB2 LEU 3 20.054 3.425 -4.805 22 HB3 LEU 3 HB1 LEU 3 18.914 3.083 -3.515 23 HG LEU 3 HG LEU 3 18.530 5.241 -5.579 24 HD11 LEU 3 HD11 LEU 3 17.433 2.441 -5.368 25 HD12 LEU 3 HD12 LEU 3 18.422 3.116 -6.665 26 HD13 LEU 3 HD13 LEU 3 16.771 3.687 -6.430 27 HD21 LEU 3 HD21 LEU 3 17.410 5.671 -3.426 28 HD22 LEU 3 HD22 LEU 3 16.635 4.091 -3.530 29 HD23 LEU 3 HD23 LEU 3 16.257 5.336 -4.719 30 H SER 4 HN SER 4 20.483 5.089 -0.745 31 HA SER 4 HA SER 4 22.971 3.644 -0.749 32 HB2 SER 4 HB2 SER 4 22.698 5.590 0.751 33 HB3 SER 4 HB1 SER 4 21.381 4.761 1.581 34 HG SER 4 HG SER 4 23.121 4.346 2.813 35 H GLU 5 HN GLU 5 22.911 2.126 1.539 36 HA GLU 5 HA GLU 5 21.992 -0.313 0.628 37 HB2 GLU 5 HB2 GLU 5 23.627 0.138 2.502 38 HB3 GLU 5 HB1 GLU 5 22.244 0.436 3.544 39 HG2 GLU 5 HG2 GLU 5 23.010 -1.795 3.902 40 HG3 GLU 5 HG1 GLU 5 21.456 -1.860 3.075 41 H GLN 6 HN GLN 6 20.432 1.863 2.948 42 HA GLN 6 HA GLN 6 18.169 0.277 3.458 43 HB2 GLN 6 HB2 GLN 6 18.599 3.262 3.682 44 HB3 GLN 6 HB1 GLN 6 17.122 2.457 4.193 45 HG2 GLN 6 HG2 GLN 6 18.682 2.984 6.024 46 HG3 GLN 6 HG1 GLN 6 18.259 1.266 5.905 47 HE21 GLN 6 HE21 GLN 6 20.018 0.218 6.686 48 HE22 GLN 6 HE22 GLN 6 21.639 0.487 6.149 49 H LEU 7 HN LEU 7 18.595 3.024 1.196 50 HA LEU 7 HA LEU 7 15.901 2.839 0.290 51 HB2 LEU 7 HB2 LEU 7 18.248 4.364 -0.822 52 HB3 LEU 7 HB1 LEU 7 16.622 4.474 -1.468 53 HG LEU 7 HG LEU 7 17.384 5.195 1.350 54 HD11 LEU 7 HD11 LEU 7 18.371 6.735 -0.249 55 HD12 LEU 7 HD12 LEU 7 17.049 7.509 0.622 56 HD13 LEU 7 HD13 LEU 7 16.807 6.946 -1.032 57 HD21 LEU 7 HD21 LEU 7 15.134 4.605 1.424 58 HD22 LEU 7 HD22 LEU 7 14.818 5.260 -0.185 59 HD23 LEU 7 HD23 LEU 7 15.103 6.351 1.170 60 H LYS 8 HN LYS 8 18.887 1.377 -0.750 61 HA LYS 8 HA LYS 8 17.842 0.444 -3.245 62 HB2 LYS 8 HB2 LYS 8 20.251 0.544 -2.906 63 HB3 LYS 8 HB1 LYS 8 20.127 -0.565 -1.552 64 HG2 LYS 8 HG2 LYS 8 20.972 -1.710 -3.503 65 HG3 LYS 8 HG1 LYS 8 19.384 -2.335 -3.058 66 HD2 LYS 8 HD2 LYS 8 19.575 -2.069 -5.474 67 HD3 LYS 8 HD1 LYS 8 18.350 -0.984 -4.812 68 HE2 LYS 8 HE2 LYS 8 19.808 0.889 -4.979 69 HE3 LYS 8 HE1 LYS 8 21.191 -0.140 -5.357 70 HZ1 LYS 8 HZ1 LYS 8 20.120 -0.746 -7.445 71 HZ2 LYS 8 HZ2 LYS 8 20.337 0.925 -7.343 72 HZ3 LYS 8 HZ3 LYS 8 18.806 0.257 -7.087 73 H HIS 9 HN HIS 9 17.947 -0.734 0.046 74 HA HIS 9 HA HIS 9 16.847 -3.286 -0.528 75 HB2 HIS 9 HB2 HIS 9 18.004 -2.200 1.681 76 HB3 HIS 9 HB1 HIS 9 16.304 -2.123 2.135 77 HD1 HIS 9 HD1 HIS 9 19.123 -4.321 2.219 78 HD2 HIS 9 HD2 HIS 9 15.019 -4.804 1.782 79 HE1 HIS 9 HE1 HIS 9 18.674 -6.736 2.732 80 HE2 HIS 9 HE2 HIS 9 16.219 -7.042 2.297 81 H CYS 10 HN CYS 10 15.496 -0.135 0.340 82 HA CYS 10 HA CYS 10 12.830 -1.053 0.600 83 HB2 CYS 10 HB2 CYS 10 12.164 1.217 0.705 84 HB3 CYS 10 HB1 CYS 10 13.753 1.155 1.470 85 HG CYS 10 HG CYS 10 14.539 1.844 -1.506 86 H ASN 11 HN ASN 11 14.794 -0.067 -2.110 87 HA ASN 11 HA ASN 11 12.691 0.225 -3.992 88 HB2 ASN 11 HB2 ASN 11 15.056 1.081 -4.269 89 HB3 ASN 11 HB1 ASN 11 15.551 -0.582 -4.569 90 HD21 ASN 11 HD21 ASN 11 13.863 2.172 -5.804 91 HD22 ASN 11 HD22 ASN 11 13.706 1.599 -7.430 92 H GLY 12 HN GLY 12 14.659 -2.462 -2.892 93 HA2 GLY 12 HA2 GLY 12 13.775 -4.311 -4.893 94 HA3 GLY 12 HA1 GLY 12 14.661 -4.706 -3.425 95 H ILE 13 HN ILE 13 12.876 -3.687 -1.528 96 HA ILE 13 HA ILE 13 11.047 -5.804 -1.233 97 HB ILE 13 HB ILE 13 11.057 -3.087 0.086 98 HG12 ILE 13 HG12 ILE 13 12.062 -5.749 1.102 99 HG13 ILE 13 HG11 ILE 13 13.102 -4.490 0.453 100 HG21 ILE 13 HG21 ILE 13 8.941 -4.760 0.082 101 HG22 ILE 13 HG22 ILE 13 9.341 -3.692 1.425 102 HG23 ILE 13 HG23 ILE 13 9.831 -5.385 1.467 103 HD11 ILE 13 HD11 ILE 13 11.465 -4.464 2.960 104 HD12 ILE 13 HD12 ILE 13 12.193 -3.007 2.284 105 HD13 ILE 13 HD13 ILE 13 13.216 -4.348 2.803 106 H LEU 14 HN LEU 14 10.530 -2.403 -2.139 107 HA LEU 14 HA LEU 14 7.805 -2.458 -2.618 108 HB2 LEU 14 HB2 LEU 14 9.741 -0.583 -2.776 109 HB3 LEU 14 HB1 LEU 14 9.501 -0.903 -4.480 110 HG LEU 14 HG LEU 14 7.255 -0.183 -2.626 111 HD11 LEU 14 HD11 LEU 14 9.145 1.531 -4.203 112 HD12 LEU 14 HD12 LEU 14 8.689 1.668 -2.503 113 HD13 LEU 14 HD13 LEU 14 7.528 2.086 -3.765 114 HD21 LEU 14 HD21 LEU 14 6.753 -1.299 -4.849 115 HD22 LEU 14 HD22 LEU 14 7.478 0.119 -5.615 116 HD23 LEU 14 HD23 LEU 14 6.041 0.302 -4.615 117 H LYS 15 HN LYS 15 10.494 -3.217 -4.772 118 HA LYS 15 HA LYS 15 9.129 -3.566 -7.143 119 HB2 LYS 15 HB2 LYS 15 11.396 -3.484 -7.430 120 HB3 LYS 15 HB1 LYS 15 11.718 -4.416 -5.974 121 HG2 LYS 15 HG2 LYS 15 12.356 -5.843 -7.676 122 HG3 LYS 15 HG1 LYS 15 10.741 -6.369 -7.250 123 HD2 LYS 15 HD2 LYS 15 9.793 -5.363 -9.159 124 HD3 LYS 15 HD1 LYS 15 11.267 -4.451 -9.496 125 HE2 LYS 15 HE2 LYS 15 12.437 -6.389 -10.143 126 HE3 LYS 15 HE1 LYS 15 11.193 -7.443 -9.478 127 HZ1 LYS 15 HZ1 LYS 15 9.670 -6.598 -11.195 128 HZ2 LYS 15 HZ2 LYS 15 11.020 -7.358 -11.869 129 HZ3 LYS 15 HZ3 LYS 15 10.924 -5.671 -11.848 130 H GLU 16 HN GLU 16 9.680 -5.754 -4.475 131 HA GLU 16 HA GLU 16 8.794 -8.056 -5.893 132 HB2 GLU 16 HB2 GLU 16 10.313 -8.323 -3.977 133 HB3 GLU 16 HB1 GLU 16 9.090 -7.657 -2.899 134 HG2 GLU 16 HG2 GLU 16 7.625 -9.616 -3.619 135 HG3 GLU 16 HG1 GLU 16 9.077 -10.320 -4.301 136 H LEU 17 HN LEU 17 7.282 -5.882 -3.561 137 HA LEU 17 HA LEU 17 4.760 -7.165 -3.466 138 HB2 LEU 17 HB2 LEU 17 5.398 -4.222 -3.160 139 HB3 LEU 17 HB1 LEU 17 3.912 -4.998 -2.662 140 HG LEU 17 HG LEU 17 6.569 -5.799 -1.495 141 HD11 LEU 17 HD11 LEU 17 6.152 -3.348 -1.234 142 HD12 LEU 17 HD12 LEU 17 6.240 -4.243 0.282 143 HD13 LEU 17 HD13 LEU 17 4.674 -3.750 -0.362 144 HD21 LEU 17 HD21 LEU 17 4.631 -7.313 -1.162 145 HD22 LEU 17 HD22 LEU 17 3.749 -5.977 -0.430 146 HD23 LEU 17 HD23 LEU 17 5.205 -6.600 0.342 147 H LEU 18 HN LEU 18 6.309 -5.234 -5.845 148 HA LEU 18 HA LEU 18 3.856 -4.695 -7.314 149 HB2 LEU 18 HB2 LEU 18 6.739 -4.001 -7.789 150 HB3 LEU 18 HB1 LEU 18 5.470 -3.627 -8.930 151 HG LEU 18 HG LEU 18 5.639 -2.604 -6.105 152 HD11 LEU 18 HD11 LEU 18 7.318 -1.562 -7.366 153 HD12 LEU 18 HD12 LEU 18 5.968 -0.424 -7.325 154 HD13 LEU 18 HD13 LEU 18 6.268 -1.387 -8.773 155 HD21 LEU 18 HD21 LEU 18 3.701 -1.410 -6.468 156 HD22 LEU 18 HD22 LEU 18 3.326 -2.953 -7.221 157 HD23 LEU 18 HD23 LEU 18 3.790 -1.574 -8.218 158 H SER 19 HN SER 19 6.233 -7.102 -7.159 159 HA SER 19 HA SER 19 6.342 -7.884 -9.878 160 HB2 SER 19 HB2 SER 19 6.919 -9.420 -7.338 161 HB3 SER 19 HB1 SER 19 7.259 -10.027 -8.962 162 HG SER 19 HG SER 19 8.248 -7.525 -8.063 163 H LYS 20 HN LYS 20 5.395 -9.662 -10.899 164 HA LYS 20 HA LYS 20 2.617 -9.667 -10.619 165 HB2 LYS 20 HB2 LYS 20 4.436 -11.427 -12.246 166 HB3 LYS 20 HB1 LYS 20 2.678 -11.439 -12.379 167 HG2 LYS 20 HG2 LYS 20 4.298 -8.946 -12.705 168 HG3 LYS 20 HG1 LYS 20 3.933 -10.019 -14.061 169 HD2 LYS 20 HD2 LYS 20 1.535 -9.701 -13.635 170 HD3 LYS 20 HD1 LYS 20 1.917 -8.634 -12.281 171 HE2 LYS 20 HE2 LYS 20 3.008 -7.073 -13.801 172 HE3 LYS 20 HE1 LYS 20 2.691 -8.152 -15.158 173 HZ1 LYS 20 HZ1 LYS 20 0.622 -6.819 -13.497 174 HZ2 LYS 20 HZ2 LYS 20 0.326 -7.840 -14.814 175 HZ3 LYS 20 HZ3 LYS 20 1.090 -6.352 -15.052 176 H LYS 21 HN LYS 21 4.988 -11.633 -9.132 177 HA LYS 21 HA LYS 21 3.510 -13.915 -8.496 178 HB2 LYS 21 HB2 LYS 21 5.843 -13.876 -7.981 179 HB3 LYS 21 HB1 LYS 21 5.666 -12.447 -6.982 180 HG2 LYS 21 HG2 LYS 21 4.343 -13.749 -5.378 181 HG3 LYS 21 HG1 LYS 21 4.589 -15.193 -6.353 182 HD2 LYS 21 HD2 LYS 21 7.076 -14.769 -6.077 183 HD3 LYS 21 HD1 LYS 21 6.621 -13.606 -4.823 184 HE2 LYS 21 HE2 LYS 21 5.250 -15.477 -3.810 185 HE3 LYS 21 HE1 LYS 21 6.093 -16.563 -4.905 186 HZ1 LYS 21 HZ1 LYS 21 8.201 -15.823 -3.923 187 HZ2 LYS 21 HZ2 LYS 21 7.187 -16.551 -2.782 188 HZ3 LYS 21 HZ3 LYS 21 7.349 -14.872 -2.815 189 H HIS 22 HN HIS 22 3.517 -10.688 -7.087 190 HA HIS 22 HA HIS 22 1.624 -11.626 -5.048 191 HB2 HIS 22 HB2 HIS 22 3.234 -9.048 -5.114 192 HB3 HIS 22 HB1 HIS 22 2.153 -9.551 -3.805 193 HD1 HIS 22 HD1 HIS 22 3.000 -11.397 -2.193 194 HD2 HIS 22 HD2 HIS 22 5.693 -10.401 -5.207 195 HE1 HIS 22 HE1 HIS 22 5.169 -12.478 -1.522 196 HE2 HIS 22 HE2 HIS 22 6.840 -11.642 -3.226 197 H ALA 23 HN ALA 23 1.869 -9.882 -7.922 198 HA ALA 23 HA ALA 23 0.135 -7.780 -7.776 199 HB1 ALA 23 HB1 ALA 23 1.482 -8.421 -9.730 200 HB2 ALA 23 HB2 ALA 23 -0.183 -8.011 -10.144 201 HB3 ALA 23 HB3 ALA 23 0.321 -9.701 -10.084 202 H ALA 24 HN ALA 24 -0.685 -11.170 -7.979 203 HA ALA 24 HA ALA 24 -3.378 -11.031 -8.648 204 HB1 ALA 24 HB1 ALA 24 -1.822 -12.995 -6.991 205 HB2 ALA 24 HB2 ALA 24 -2.290 -13.126 -8.687 206 HB3 ALA 24 HB3 ALA 24 -3.515 -13.236 -7.424 207 H TYR 25 HN TYR 25 -1.805 -10.192 -5.683 208 HA TYR 25 HA TYR 25 -4.396 -9.424 -4.579 209 HB2 TYR 25 HB2 TYR 25 -3.527 -10.246 -2.283 210 HB3 TYR 25 HB1 TYR 25 -4.162 -11.437 -3.414 211 HD1 TYR 25 HD1 TYR 25 -0.963 -9.967 -2.185 212 HD2 TYR 25 HD2 TYR 25 -2.898 -13.280 -4.019 213 HE1 TYR 25 HE1 TYR 25 1.103 -11.295 -1.994 214 HE2 TYR 25 HE2 TYR 25 -0.836 -14.597 -3.848 215 HH TYR 25 HH TYR 25 1.746 -13.720 -1.903 216 H ALA 26 HN ALA 26 -1.871 -8.202 -5.756 217 HA ALA 26 HA ALA 26 -1.313 -6.315 -3.559 218 HB1 ALA 26 HB1 ALA 26 0.691 -7.568 -4.277 219 HB2 ALA 26 HB2 ALA 26 0.829 -5.843 -4.617 220 HB3 ALA 26 HB3 ALA 26 0.450 -6.966 -5.919 221 H TRP 27 HN TRP 27 -2.766 -6.664 -6.612 222 HA TRP 27 HA TRP 27 -2.166 -4.269 -7.854 223 HB2 TRP 27 HB2 TRP 27 -4.273 -4.526 -9.130 224 HB3 TRP 27 HB1 TRP 27 -3.289 -5.980 -9.092 225 HD1 TRP 27 HD1 TRP 27 -4.307 -8.118 -7.918 226 HE1 TRP 27 HE1 TRP 27 -6.684 -8.731 -7.164 227 HE3 TRP 27 HE3 TRP 27 -6.453 -3.466 -8.093 228 HZ2 TRP 27 HZ2 TRP 27 -9.142 -7.429 -6.710 229 HZ3 TRP 27 HZ3 TRP 27 -8.824 -3.249 -7.489 230 HH2 TRP 27 HH2 TRP 27 -10.140 -5.189 -6.809 231 HA PRO 28 HA PRO 28 -6.050 -2.307 -5.413 232 HB2 PRO 28 HB2 PRO 28 -5.358 -2.809 -2.699 233 HB3 PRO 28 HB1 PRO 28 -6.840 -3.285 -3.524 234 HG2 PRO 28 HG2 PRO 28 -4.468 -4.873 -2.852 235 HG3 PRO 28 HG1 PRO 28 -6.106 -5.413 -3.257 236 HD2 PRO 28 HD2 PRO 28 -3.947 -5.712 -4.913 237 HD3 PRO 28 HD1 PRO 28 -5.619 -5.613 -5.485 238 H PHE 29 HN PHE 29 -2.690 -2.744 -4.640 239 HA PHE 29 HA PHE 29 -2.593 -0.047 -3.445 240 HB2 PHE 29 HB2 PHE 29 -0.334 -1.965 -3.114 241 HB3 PHE 29 HB1 PHE 29 -0.928 -0.721 -2.013 242 HD1 PHE 29 HD1 PHE 29 -0.780 -4.171 -2.653 243 HD2 PHE 29 HD2 PHE 29 -3.324 -1.163 -1.036 244 HE1 PHE 29 HE1 PHE 29 -2.020 -5.885 -1.422 245 HE2 PHE 29 HE2 PHE 29 -4.568 -2.888 0.196 246 HZ PHE 29 HZ PHE 29 -3.912 -5.245 -0.003 247 H TYR 30 HN TYR 30 -1.713 -1.795 -6.194 248 HA TYR 30 HA TYR 30 0.712 -0.665 -6.946 249 HB2 TYR 30 HB2 TYR 30 -1.668 -1.558 -8.549 250 HB3 TYR 30 HB1 TYR 30 -0.281 -0.828 -9.344 251 HD1 TYR 30 HD1 TYR 30 0.260 -2.831 -6.376 252 HD2 TYR 30 HD2 TYR 30 0.069 -2.924 -10.613 253 HE1 TYR 30 HE1 TYR 30 1.408 -4.996 -6.368 254 HE2 TYR 30 HE2 TYR 30 1.213 -5.102 -10.622 255 HH TYR 30 HH TYR 30 2.782 -6.354 -9.073 256 H LYS 31 HN LYS 31 -2.552 0.581 -7.681 257 HA LYS 31 HA LYS 31 -1.361 3.235 -8.099 258 HB2 LYS 31 HB2 LYS 31 -3.640 2.049 -9.679 259 HB3 LYS 31 HB1 LYS 31 -2.803 3.566 -10.002 260 HG2 LYS 31 HG2 LYS 31 -0.728 2.135 -10.423 261 HG3 LYS 31 HG1 LYS 31 -1.809 0.754 -10.397 262 HD2 LYS 31 HD2 LYS 31 -2.110 3.131 -12.209 263 HD3 LYS 31 HD1 LYS 31 -1.316 1.622 -12.663 264 HE2 LYS 31 HE2 LYS 31 -4.190 1.941 -11.813 265 HE3 LYS 31 HE1 LYS 31 -3.602 1.668 -13.446 266 HZ1 LYS 31 HZ1 LYS 31 -3.351 -0.205 -11.168 267 HZ2 LYS 31 HZ2 LYS 31 -2.693 -0.463 -12.701 268 HZ3 LYS 31 HZ3 LYS 31 -4.372 -0.386 -12.503 269 HA PRO 32 HA PRO 32 -4.422 4.900 -5.308 270 HB2 PRO 32 HB2 PRO 32 -5.415 6.984 -6.874 271 HB3 PRO 32 HB1 PRO 32 -3.980 7.079 -5.847 272 HG2 PRO 32 HG2 PRO 32 -4.174 6.519 -8.783 273 HG3 PRO 32 HG1 PRO 32 -3.028 7.561 -7.916 274 HD2 PRO 32 HD2 PRO 32 -2.252 5.174 -8.719 275 HD3 PRO 32 HD1 PRO 32 -1.822 5.733 -7.084 276 H VAL 33 HN VAL 33 -6.529 4.536 -4.860 277 HA VAL 33 HA VAL 33 -8.105 3.068 -6.694 278 HB VAL 33 HB VAL 33 -9.578 2.697 -5.017 279 HG11 VAL 33 HG11 VAL 33 -7.448 2.197 -4.058 280 HG12 VAL 33 HG12 VAL 33 -8.542 2.789 -2.809 281 HG13 VAL 33 HG13 VAL 33 -7.290 3.846 -3.457 282 HG21 VAL 33 HG21 VAL 33 -10.848 4.511 -4.620 283 HG22 VAL 33 HG22 VAL 33 -9.457 5.602 -4.559 284 HG23 VAL 33 HG23 VAL 33 -9.860 4.610 -3.157 285 H ASP 34 HN ASP 34 -9.854 3.650 -7.883 286 HA ASP 34 HA ASP 34 -9.918 6.459 -8.655 287 HB2 ASP 34 HB2 ASP 34 -11.380 4.072 -9.833 288 HB3 ASP 34 HB1 ASP 34 -11.369 5.697 -10.505 289 H ALA 35 HN ALA 35 -10.780 6.971 -6.498 290 HA ALA 35 HA ALA 35 -13.018 5.854 -5.348 291 HB1 ALA 35 HB1 ALA 35 -12.710 7.344 -3.719 292 HB2 ALA 35 HB2 ALA 35 -12.715 8.717 -4.831 293 HB3 ALA 35 HB3 ALA 35 -11.249 7.759 -4.620 294 H SER 36 HN SER 36 -12.891 8.655 -7.521 295 HA SER 36 HA SER 36 -15.618 9.299 -7.417 296 HB2 SER 36 HB2 SER 36 -13.766 9.603 -9.788 297 HB3 SER 36 HB1 SER 36 -15.235 10.526 -9.473 298 HG SER 36 HG SER 36 -12.780 11.080 -8.683 299 H ALA 37 HN ALA 37 -13.832 6.987 -9.384 300 HA ALA 37 HA ALA 37 -16.055 6.289 -11.039 301 HB1 ALA 37 HB1 ALA 37 -13.422 4.899 -10.590 302 HB2 ALA 37 HB2 ALA 37 -13.800 6.051 -11.869 303 HB3 ALA 37 HB3 ALA 37 -14.595 4.477 -11.839 304 H LEU 38 HN LEU 38 -14.749 5.073 -7.998 305 HA LEU 38 HA LEU 38 -16.533 2.763 -8.152 306 HB2 LEU 38 HB2 LEU 38 -15.016 3.281 -5.668 307 HB3 LEU 38 HB1 LEU 38 -15.607 1.802 -6.305 308 HG LEU 38 HG LEU 38 -13.707 2.660 -8.166 309 HD11 LEU 38 HD11 LEU 38 -12.564 2.767 -5.363 310 HD12 LEU 38 HD12 LEU 38 -12.900 4.198 -6.342 311 HD13 LEU 38 HD13 LEU 38 -11.720 3.014 -6.894 312 HD21 LEU 38 HD21 LEU 38 -13.796 0.633 -5.982 313 HD22 LEU 38 HD22 LEU 38 -12.511 0.684 -7.191 314 HD23 LEU 38 HD23 LEU 38 -14.180 0.397 -7.687 315 H GLY 39 HN GLY 39 -17.041 5.846 -7.532 316 HA2 GLY 39 HA2 GLY 39 -19.002 6.830 -6.782 317 HA3 GLY 39 HA1 GLY 39 -19.526 5.262 -6.195 318 H LEU 40 HN LEU 40 -16.429 6.232 -5.186 319 HA LEU 40 HA LEU 40 -17.389 6.532 -2.455 320 HB2 LEU 40 HB2 LEU 40 -14.518 6.556 -3.330 321 HB3 LEU 40 HB1 LEU 40 -15.187 6.058 -1.786 322 HG LEU 40 HG LEU 40 -15.296 4.569 -4.395 323 HD11 LEU 40 HD11 LEU 40 -13.223 4.234 -3.366 324 HD12 LEU 40 HD12 LEU 40 -14.178 2.816 -2.995 325 HD13 LEU 40 HD13 LEU 40 -13.946 4.060 -1.771 326 HD21 LEU 40 HD21 LEU 40 -16.762 4.021 -1.835 327 HD22 LEU 40 HD22 LEU 40 -16.455 2.781 -3.043 328 HD23 LEU 40 HD23 LEU 40 -17.426 4.193 -3.454 329 H HIS 41 HN HIS 41 -18.195 8.593 -2.328 330 HA HIS 41 HA HIS 41 -16.734 10.812 -3.499 331 HB2 HIS 41 HB2 HIS 41 -19.302 10.828 -1.892 332 HB3 HIS 41 HB1 HIS 41 -18.640 12.179 -2.799 333 HD1 HIS 41 HD1 HIS 41 -18.741 12.033 -5.408 334 HD2 HIS 41 HD2 HIS 41 -20.792 8.978 -3.443 335 HE1 HIS 41 HE1 HIS 41 -20.215 10.972 -7.141 336 HE2 HIS 41 HE2 HIS 41 -21.593 9.289 -5.876 337 H ASP 42 HN ASP 42 -16.586 9.161 -0.633 338 HA ASP 42 HA ASP 42 -15.832 11.545 0.924 339 HB2 ASP 42 HB2 ASP 42 -16.246 10.023 2.915 340 HB3 ASP 42 HB1 ASP 42 -17.665 10.492 1.988 341 H TYR 43 HN TYR 43 -14.218 9.624 -0.907 342 HA TYR 43 HA TYR 43 -12.600 8.021 0.732 343 HB2 TYR 43 HB2 TYR 43 -12.784 7.533 -1.608 344 HB3 TYR 43 HB1 TYR 43 -12.168 9.113 -2.054 345 HD1 TYR 43 HD1 TYR 43 -11.263 5.836 -0.662 346 HD2 TYR 43 HD2 TYR 43 -9.807 9.519 -2.197 347 HE1 TYR 43 HE1 TYR 43 -9.015 4.866 -0.828 348 HE2 TYR 43 HE2 TYR 43 -7.558 8.558 -2.375 349 HH TYR 43 HH TYR 43 -6.926 5.208 -1.976 350 H HIS 44 HN HIS 44 -12.195 11.339 -0.401 351 HA HIS 44 HA HIS 44 -9.493 11.450 0.640 352 HB2 HIS 44 HB2 HIS 44 -11.244 13.484 -0.731 353 HB3 HIS 44 HB1 HIS 44 -9.664 13.888 -0.070 354 HD1 HIS 44 HD1 HIS 44 -7.732 13.553 -1.592 355 HD2 HIS 44 HD2 HIS 44 -11.055 11.365 -2.793 356 HE1 HIS 44 HE1 HIS 44 -7.105 12.528 -3.798 357 HE2 HIS 44 HE2 HIS 44 -9.083 11.111 -4.448 358 H ASP 45 HN ASP 45 -12.489 11.640 1.984 359 HA ASP 45 HA ASP 45 -11.796 13.639 3.990 360 HB2 ASP 45 HB2 ASP 45 -14.271 11.928 3.659 361 HB3 ASP 45 HB1 ASP 45 -14.051 13.138 4.918 362 H ILE 46 HN ILE 46 -12.322 10.173 3.688 363 HA ILE 46 HA ILE 46 -11.767 9.678 6.479 364 HB ILE 46 HB ILE 46 -12.294 7.856 4.129 365 HG12 ILE 46 HG12 ILE 46 -14.178 7.112 5.570 366 HG13 ILE 46 HG11 ILE 46 -13.734 8.340 6.748 367 HG21 ILE 46 HG21 ILE 46 -10.907 6.376 5.158 368 HG22 ILE 46 HG22 ILE 46 -12.325 6.110 6.167 369 HG23 ILE 46 HG23 ILE 46 -11.036 7.179 6.721 370 HD11 ILE 46 HD11 ILE 46 -14.652 8.852 3.923 371 HD12 ILE 46 HD12 ILE 46 -14.213 10.081 5.111 372 HD13 ILE 46 HD13 ILE 46 -15.616 9.049 5.390 373 H ILE 47 HN ILE 47 -10.153 9.127 3.378 374 HA ILE 47 HA ILE 47 -7.768 8.155 4.696 375 HB ILE 47 HB ILE 47 -8.172 8.762 1.770 376 HG12 ILE 47 HG12 ILE 47 -9.797 7.082 2.696 377 HG13 ILE 47 HG11 ILE 47 -8.738 6.452 1.439 378 HG21 ILE 47 HG21 ILE 47 -6.325 6.983 1.645 379 HG22 ILE 47 HG22 ILE 47 -6.066 7.337 3.349 380 HG23 ILE 47 HG23 ILE 47 -5.880 8.610 2.145 381 HD11 ILE 47 HD11 ILE 47 -8.402 6.058 4.396 382 HD12 ILE 47 HD12 ILE 47 -7.357 5.406 3.136 383 HD13 ILE 47 HD13 ILE 47 -9.026 4.875 3.253 384 H LYS 48 HN LYS 48 -6.568 9.656 5.687 385 HA LYS 48 HA LYS 48 -6.243 12.282 4.477 386 HB2 LYS 48 HB2 LYS 48 -5.580 11.153 7.171 387 HB3 LYS 48 HB1 LYS 48 -4.935 12.696 6.636 388 HG2 LYS 48 HG2 LYS 48 -7.863 12.008 6.774 389 HG3 LYS 48 HG1 LYS 48 -6.979 12.928 7.991 390 HD2 LYS 48 HD2 LYS 48 -6.641 14.739 6.535 391 HD3 LYS 48 HD1 LYS 48 -7.035 13.779 5.116 392 HE2 LYS 48 HE2 LYS 48 -8.820 15.329 5.654 393 HE3 LYS 48 HE1 LYS 48 -9.329 13.650 5.782 394 HZ1 LYS 48 HZ1 LYS 48 -9.066 13.806 8.191 395 HZ2 LYS 48 HZ2 LYS 48 -10.168 14.953 7.621 396 HZ3 LYS 48 HZ3 LYS 48 -8.603 15.427 8.046 397 H HIS 49 HN HIS 49 -4.528 9.330 4.831 398 HA HIS 49 HA HIS 49 -2.193 10.581 3.540 399 HB2 HIS 49 HB2 HIS 49 -2.247 8.262 5.475 400 HB3 HIS 49 HB1 HIS 49 -0.836 8.708 4.523 401 HD1 HIS 49 HD1 HIS 49 0.543 10.696 5.325 402 HD2 HIS 49 HD2 HIS 49 -2.919 10.089 7.537 403 HE1 HIS 49 HE1 HIS 49 0.751 12.193 7.331 404 HE2 HIS 49 HE2 HIS 49 -1.433 11.941 8.553 405 HA PRO 50 HA PRO 50 -4.052 7.319 0.701 406 HB2 PRO 50 HB2 PRO 50 -4.228 8.908 -1.492 407 HB3 PRO 50 HB1 PRO 50 -5.522 8.785 -0.294 408 HG2 PRO 50 HG2 PRO 50 -3.394 10.880 -0.577 409 HG3 PRO 50 HG1 PRO 50 -5.131 11.081 -0.270 410 HD2 PRO 50 HD2 PRO 50 -3.313 11.226 1.717 411 HD3 PRO 50 HD1 PRO 50 -4.933 10.540 1.966 412 H MET 51 HN MET 51 -2.230 6.111 0.450 413 HA MET 51 HA MET 51 -0.208 7.178 -1.385 414 HB2 MET 51 HB2 MET 51 0.772 7.342 0.809 415 HB3 MET 51 HB1 MET 51 0.292 5.700 1.218 416 HG2 MET 51 HG2 MET 51 2.720 5.978 0.690 417 HG3 MET 51 HG1 MET 51 1.892 4.783 -0.315 418 HE1 MET 51 HE1 MET 51 3.052 8.474 -0.105 419 HE2 MET 51 HE2 MET 51 1.488 8.712 -0.875 420 HE3 MET 51 HE3 MET 51 2.974 9.025 -1.775 421 H ASP 52 HN ASP 52 0.920 5.634 -2.611 422 HA ASP 52 HA ASP 52 -0.331 2.986 -2.841 423 HB2 ASP 52 HB2 ASP 52 0.302 4.522 -5.347 424 HB3 ASP 52 HB1 ASP 52 -0.910 3.262 -5.091 425 H LEU 53 HN LEU 53 1.128 1.395 -3.804 426 HA LEU 53 HA LEU 53 3.805 1.745 -3.107 427 HB2 LEU 53 HB2 LEU 53 2.415 -0.236 -4.857 428 HB3 LEU 53 HB1 LEU 53 4.164 -0.260 -4.698 429 HG LEU 53 HG LEU 53 2.292 -0.401 -2.345 430 HD11 LEU 53 HD11 LEU 53 2.050 -2.280 -3.973 431 HD12 LEU 53 HD12 LEU 53 2.539 -2.758 -2.352 432 HD13 LEU 53 HD13 LEU 53 3.729 -2.693 -3.655 433 HD21 LEU 53 HD21 LEU 53 4.478 0.358 -1.762 434 HD22 LEU 53 HD22 LEU 53 5.231 -0.945 -2.677 435 HD23 LEU 53 HD23 LEU 53 4.298 -1.308 -1.223 436 H SER 54 HN SER 54 2.292 2.107 -6.297 437 HA SER 54 HA SER 54 4.658 2.603 -7.728 438 HB2 SER 54 HB2 SER 54 1.855 3.607 -8.271 439 HB3 SER 54 HB1 SER 54 3.195 3.667 -9.414 440 HG SER 54 HG SER 54 1.634 1.538 -8.616 441 H THR 55 HN THR 55 2.740 4.657 -5.656 442 HA THR 55 HA THR 55 4.002 7.099 -6.522 443 HB THR 55 HB THR 55 2.466 6.818 -3.956 444 HG1 THR 55 HG1 THR 55 0.588 6.697 -5.073 445 HG21 THR 55 HG21 THR 55 3.616 8.937 -4.642 446 HG22 THR 55 HG22 THR 55 1.880 9.092 -4.370 447 HG23 THR 55 HG23 THR 55 2.516 9.018 -6.016 448 H VAL 56 HN VAL 56 4.306 4.807 -3.855 449 HA VAL 56 HA VAL 56 6.239 6.182 -2.349 450 HB VAL 56 HB VAL 56 5.914 3.191 -2.724 451 HG11 VAL 56 HG11 VAL 56 8.150 3.776 -1.898 452 HG12 VAL 56 HG12 VAL 56 7.192 2.958 -0.661 453 HG13 VAL 56 HG13 VAL 56 7.417 4.706 -0.588 454 HG21 VAL 56 HG21 VAL 56 3.948 4.359 -1.801 455 HG22 VAL 56 HG22 VAL 56 4.956 4.975 -0.492 456 HG23 VAL 56 HG23 VAL 56 4.682 3.239 -0.654 457 H LYS 57 HN LYS 57 6.528 3.849 -4.972 458 HA LYS 57 HA LYS 57 9.330 3.832 -5.151 459 HB2 LYS 57 HB2 LYS 57 7.249 2.517 -6.402 460 HB3 LYS 57 HB1 LYS 57 7.944 3.479 -7.698 461 HG2 LYS 57 HG2 LYS 57 10.148 2.509 -7.204 462 HG3 LYS 57 HG1 LYS 57 9.413 1.514 -5.961 463 HD2 LYS 57 HD2 LYS 57 7.915 0.553 -7.709 464 HD3 LYS 57 HD1 LYS 57 8.866 1.422 -8.916 465 HE2 LYS 57 HE2 LYS 57 10.094 -0.474 -6.934 466 HE3 LYS 57 HE1 LYS 57 9.490 -1.004 -8.504 467 HZ1 LYS 57 HZ1 LYS 57 11.896 -0.515 -8.473 468 HZ2 LYS 57 HZ2 LYS 57 11.548 1.107 -8.146 469 HZ3 LYS 57 HZ3 LYS 57 11.044 0.409 -9.602 470 H ARG 58 HN ARG 58 6.839 5.736 -6.731 471 HA ARG 58 HA ARG 58 8.358 7.220 -8.513 472 HB2 ARG 58 HB2 ARG 58 5.899 7.221 -8.380 473 HB3 ARG 58 HB1 ARG 58 5.984 8.128 -6.882 474 HG2 ARG 58 HG2 ARG 58 7.034 9.987 -8.062 475 HG3 ARG 58 HG1 ARG 58 6.933 9.089 -9.571 476 HD2 ARG 58 HD2 ARG 58 4.489 9.031 -9.347 477 HD3 ARG 58 HD1 ARG 58 4.620 9.964 -7.857 478 HE ARG 58 HE ARG 58 5.808 11.639 -9.448 479 HH11 ARG 58 HH11 ARG 58 3.010 9.668 -10.186 480 HH12 ARG 58 HH12 ARG 58 2.378 10.781 -11.352 481 HH21 ARG 58 HH21 ARG 58 4.974 13.110 -10.970 482 HH22 ARG 58 HH22 ARG 58 3.492 12.746 -11.795 483 H LYS 59 HN LYS 59 7.506 8.025 -5.162 484 HA LYS 59 HA LYS 59 9.050 10.418 -5.140 485 HB2 LYS 59 HB2 LYS 59 7.845 8.796 -2.890 486 HB3 LYS 59 HB1 LYS 59 8.577 10.385 -2.694 487 HG2 LYS 59 HG2 LYS 59 6.889 11.450 -3.908 488 HG3 LYS 59 HG1 LYS 59 6.322 9.938 -4.612 489 HD2 LYS 59 HD2 LYS 59 4.800 10.832 -2.877 490 HD3 LYS 59 HD1 LYS 59 5.421 9.229 -2.489 491 HE2 LYS 59 HE2 LYS 59 7.003 11.486 -1.446 492 HE3 LYS 59 HE1 LYS 59 5.382 11.318 -0.765 493 HZ1 LYS 59 HZ1 LYS 59 7.144 10.095 0.455 494 HZ2 LYS 59 HZ2 LYS 59 7.342 9.095 -0.895 495 HZ3 LYS 59 HZ3 LYS 59 5.870 9.105 -0.066 496 H MET 60 HN MET 60 9.680 7.079 -4.294 497 HA MET 60 HA MET 60 12.236 7.461 -3.130 498 HB2 MET 60 HB2 MET 60 11.063 5.320 -2.943 499 HB3 MET 60 HB1 MET 60 11.145 5.101 -4.686 500 HG2 MET 60 HG2 MET 60 13.706 5.248 -4.340 501 HG3 MET 60 HG1 MET 60 13.322 4.914 -2.653 502 HE1 MET 60 HE1 MET 60 11.816 2.874 -1.925 503 HE2 MET 60 HE2 MET 60 11.387 1.518 -2.968 504 HE3 MET 60 HE3 MET 60 10.631 3.094 -3.210 505 H GLU 61 HN GLU 61 11.121 7.088 -6.464 506 HA GLU 61 HA GLU 61 13.688 6.964 -7.659 507 HB2 GLU 61 HB2 GLU 61 10.982 7.760 -8.720 508 HB3 GLU 61 HB1 GLU 61 12.416 7.746 -9.731 509 HG2 GLU 61 HG2 GLU 61 12.707 5.346 -9.202 510 HG3 GLU 61 HG1 GLU 61 11.191 5.398 -8.302 511 H ASN 62 HN ASN 62 11.638 9.582 -6.631 512 HA ASN 62 HA ASN 62 13.276 11.637 -7.829 513 HB2 ASN 62 HB2 ASN 62 10.985 11.717 -5.862 514 HB3 ASN 62 HB1 ASN 62 11.887 13.160 -6.305 515 HD21 ASN 62 HD21 ASN 62 11.289 10.628 -8.618 516 HD22 ASN 62 HD22 ASN 62 10.139 11.501 -9.567 517 H ARG 63 HN ARG 63 13.657 9.552 -5.392 518 HA ARG 63 HA ARG 63 15.048 9.286 -3.653 519 HB2 ARG 63 HB2 ARG 63 16.593 11.583 -4.850 520 HB3 ARG 63 HB1 ARG 63 17.219 10.295 -3.831 521 HG2 ARG 63 HG2 ARG 63 16.018 9.835 -6.547 522 HG3 ARG 63 HG1 ARG 63 17.741 10.072 -6.247 523 HD2 ARG 63 HD2 ARG 63 17.953 8.062 -5.100 524 HD3 ARG 63 HD1 ARG 63 16.224 7.932 -4.791 525 HE ARG 63 HE ARG 63 15.902 7.221 -7.017 526 HH11 ARG 63 HH11 ARG 63 19.278 7.768 -6.296 527 HH12 ARG 63 HH12 ARG 63 19.851 6.797 -7.610 528 HH21 ARG 63 HH21 ARG 63 16.650 5.958 -8.765 529 HH22 ARG 63 HH22 ARG 63 18.357 5.766 -9.012 530 H ASP 64 HN ASP 64 12.810 11.004 -3.283 531 HA ASP 64 HA ASP 64 13.649 13.161 -1.567 532 HB2 ASP 64 HB2 ASP 64 11.022 11.987 -2.361 533 HB3 ASP 64 HB1 ASP 64 11.098 12.967 -0.900 534 H TYR 65 HN TYR 65 13.445 9.866 -1.239 535 HA TYR 65 HA TYR 65 12.865 9.810 1.605 536 HB2 TYR 65 HB2 TYR 65 13.732 7.629 -0.312 537 HB3 TYR 65 HB1 TYR 65 13.358 7.371 1.387 538 HD1 TYR 65 HD1 TYR 65 11.621 5.758 0.937 539 HD2 TYR 65 HD2 TYR 65 11.408 9.673 -0.702 540 HE1 TYR 65 HE1 TYR 65 9.263 5.381 0.335 541 HE2 TYR 65 HE2 TYR 65 9.068 9.302 -1.291 542 HH TYR 65 HH TYR 65 7.202 6.832 -0.089 543 H ARG 66 HN ARG 66 14.355 9.439 3.198 544 HA ARG 66 HA ARG 66 17.162 9.734 2.417 545 HB2 ARG 66 HB2 ARG 66 16.388 11.328 4.069 546 HB3 ARG 66 HB1 ARG 66 15.767 10.040 5.085 547 HG2 ARG 66 HG2 ARG 66 18.673 10.034 4.464 548 HG3 ARG 66 HG1 ARG 66 18.061 11.246 5.587 549 HD2 ARG 66 HD2 ARG 66 17.146 9.541 7.013 550 HD3 ARG 66 HD1 ARG 66 17.556 8.289 5.844 551 HE ARG 66 HE ARG 66 19.877 9.701 6.633 552 HH11 ARG 66 HH11 ARG 66 17.564 7.371 7.843 553 HH12 ARG 66 HH12 ARG 66 18.723 6.556 8.849 554 HH21 ARG 66 HH21 ARG 66 21.399 8.653 7.984 555 HH22 ARG 66 HH22 ARG 66 20.898 7.297 8.943 556 H ASP 67 HN ASP 67 14.965 7.513 4.031 557 HA ASP 67 HA ASP 67 16.981 5.448 3.827 558 HB2 ASP 67 HB2 ASP 67 16.675 4.777 6.202 559 HB3 ASP 67 HB1 ASP 67 17.422 6.348 6.010 560 H ALA 68 HN ALA 68 15.983 3.385 4.951 561 HA ALA 68 HA ALA 68 13.735 2.736 3.309 562 HB1 ALA 68 HB1 ALA 68 15.182 1.113 5.388 563 HB2 ALA 68 HB2 ALA 68 15.522 1.128 3.656 564 HB3 ALA 68 HB3 ALA 68 13.990 0.484 4.249 565 H GLN 69 HN GLN 69 14.159 3.931 6.464 566 HA GLN 69 HA GLN 69 11.762 2.794 7.572 567 HB2 GLN 69 HB2 GLN 69 13.640 3.507 9.005 568 HB3 GLN 69 HB1 GLN 69 13.347 5.172 8.529 569 HG2 GLN 69 HG2 GLN 69 12.334 4.888 10.640 570 HG3 GLN 69 HG1 GLN 69 11.042 4.922 9.442 571 HE21 GLN 69 HE21 GLN 69 11.210 3.771 12.163 572 HE22 GLN 69 HE22 GLN 69 10.737 2.118 11.984 573 H GLU 70 HN GLU 70 12.688 5.842 6.038 574 HA GLU 70 HA GLU 70 10.150 7.064 6.202 575 HB2 GLU 70 HB2 GLU 70 12.361 7.430 4.169 576 HB3 GLU 70 HB1 GLU 70 10.918 8.439 4.268 577 HG2 GLU 70 HG2 GLU 70 11.598 8.924 6.658 578 HG3 GLU 70 HG1 GLU 70 13.144 8.178 6.258 579 H PHE 71 HN PHE 71 11.577 4.796 3.959 580 HA PHE 71 HA PHE 71 9.443 4.682 2.120 581 HB2 PHE 71 HB2 PHE 71 11.318 3.560 1.336 582 HB3 PHE 71 HB1 PHE 71 11.648 2.802 2.889 583 HD1 PHE 71 HD1 PHE 71 9.483 2.686 -0.094 584 HD2 PHE 71 HD2 PHE 71 10.740 0.669 3.426 585 HE1 PHE 71 HE1 PHE 71 8.369 0.632 -0.872 586 HE2 PHE 71 HE2 PHE 71 9.628 -1.379 2.667 587 HZ PHE 71 HZ PHE 71 8.443 -1.406 0.507 588 H ALA 72 HN ALA 72 10.216 2.616 4.917 589 HA ALA 72 HA ALA 72 7.939 1.077 4.953 590 HB1 ALA 72 HB1 ALA 72 9.662 2.053 7.221 591 HB2 ALA 72 HB2 ALA 72 9.741 0.502 6.385 592 HB3 ALA 72 HB3 ALA 72 8.366 0.874 7.425 593 H ALA 73 HN ALA 73 8.515 4.205 6.479 594 HA ALA 73 HA ALA 73 6.160 4.612 7.815 595 HB1 ALA 73 HB1 ALA 73 8.019 6.460 6.361 596 HB2 ALA 73 HB2 ALA 73 7.814 6.226 8.100 597 HB3 ALA 73 HB3 ALA 73 6.578 7.078 7.175 598 H ASP 74 HN ASP 74 6.835 5.141 4.386 599 HA ASP 74 HA ASP 74 4.244 6.271 3.856 600 HB2 ASP 74 HB2 ASP 74 6.650 6.453 2.615 601 HB3 ASP 74 HB1 ASP 74 5.854 5.264 1.591 602 H VAL 75 HN VAL 75 5.826 3.156 3.121 603 HA VAL 75 HA VAL 75 3.640 2.104 1.663 604 HB VAL 75 HB VAL 75 5.741 1.081 1.278 605 HG11 VAL 75 HG11 VAL 75 6.942 1.498 3.275 606 HG12 VAL 75 HG12 VAL 75 6.894 -0.253 3.059 607 HG13 VAL 75 HG13 VAL 75 5.821 0.521 4.226 608 HG21 VAL 75 HG21 VAL 75 5.294 -1.343 2.039 609 HG22 VAL 75 HG22 VAL 75 4.155 -0.561 0.937 610 HG23 VAL 75 HG23 VAL 75 3.773 -0.690 2.656 611 H ARG 76 HN ARG 76 4.526 1.874 5.095 612 HA ARG 76 HA ARG 76 2.463 0.002 5.714 613 HB2 ARG 76 HB2 ARG 76 3.672 1.940 7.686 614 HB3 ARG 76 HB1 ARG 76 2.953 0.370 8.001 615 HG2 ARG 76 HG2 ARG 76 4.825 -0.644 6.693 616 HG3 ARG 76 HG1 ARG 76 5.585 0.942 6.687 617 HD2 ARG 76 HD2 ARG 76 6.551 -0.238 8.483 618 HD3 ARG 76 HD1 ARG 76 5.411 0.899 9.206 619 HE ARG 76 HE ARG 76 3.854 -1.168 9.155 620 HH11 ARG 76 HH11 ARG 76 7.297 -1.192 9.792 621 HH12 ARG 76 HH12 ARG 76 7.248 -2.666 10.704 622 HH21 ARG 76 HH21 ARG 76 3.781 -3.103 10.376 623 HH22 ARG 76 HH22 ARG 76 5.246 -3.741 11.053 624 H LEU 77 HN LEU 77 2.684 3.502 5.626 625 HA LEU 77 HA LEU 77 0.227 4.143 6.788 626 HB2 LEU 77 HB2 LEU 77 2.207 5.441 5.108 627 HB3 LEU 77 HB1 LEU 77 0.580 5.967 4.718 628 HG LEU 77 HG LEU 77 1.872 6.107 7.434 629 HD11 LEU 77 HD11 LEU 77 1.216 8.169 5.367 630 HD12 LEU 77 HD12 LEU 77 2.807 7.753 5.998 631 HD13 LEU 77 HD13 LEU 77 1.625 8.555 7.035 632 HD21 LEU 77 HD21 LEU 77 -0.898 6.549 6.450 633 HD22 LEU 77 HD22 LEU 77 -0.273 7.581 7.740 634 HD23 LEU 77 HD23 LEU 77 -0.342 5.832 7.965 635 H MET 78 HN MET 78 1.045 3.099 3.552 636 HA MET 78 HA MET 78 -1.471 3.497 2.371 637 HB2 MET 78 HB2 MET 78 0.408 3.150 0.951 638 HB3 MET 78 HB1 MET 78 0.780 1.610 1.712 639 HG2 MET 78 HG2 MET 78 -1.883 1.851 0.455 640 HG3 MET 78 HG1 MET 78 -0.485 1.830 -0.629 641 HE1 MET 78 HE1 MET 78 1.622 -0.008 0.677 642 HE2 MET 78 HE2 MET 78 1.085 -0.161 -0.993 643 HE3 MET 78 HE3 MET 78 1.158 -1.586 0.038 644 H PHE 79 HN PHE 79 -0.064 0.519 3.790 645 HA PHE 79 HA PHE 79 -2.392 -1.020 3.564 646 HB2 PHE 79 HB2 PHE 79 -0.238 -1.220 5.674 647 HB3 PHE 79 HB1 PHE 79 -1.485 -2.429 5.375 648 HD1 PHE 79 HD1 PHE 79 -1.592 -2.823 2.580 649 HD2 PHE 79 HD2 PHE 79 1.804 -1.976 5.000 650 HE1 PHE 79 HE1 PHE 79 -0.143 -3.922 0.923 651 HE2 PHE 79 HE2 PHE 79 3.255 -3.072 3.353 652 HZ PHE 79 HZ PHE 79 2.301 -4.035 1.300 653 H SER 80 HN SER 80 -1.371 1.267 6.019 654 HA SER 80 HA SER 80 -3.329 0.698 7.945 655 HB2 SER 80 HB2 SER 80 -1.885 3.305 7.417 656 HB3 SER 80 HB1 SER 80 -2.768 2.899 8.890 657 HG SER 80 HG SER 80 -0.361 1.801 7.896 658 H ASN 81 HN ASN 81 -3.328 3.090 5.277 659 HA ASN 81 HA ASN 81 -5.783 4.235 6.089 660 HB2 ASN 81 HB2 ASN 81 -5.810 5.487 4.054 661 HB3 ASN 81 HB1 ASN 81 -4.138 5.385 4.578 662 HD21 ASN 81 HD21 ASN 81 -2.687 4.756 3.152 663 HD22 ASN 81 HD22 ASN 81 -3.031 4.008 1.632 664 H CYS 82 HN CYS 82 -5.003 1.499 4.064 665 HA CYS 82 HA CYS 82 -7.573 1.139 2.930 666 HB2 CYS 82 HB2 CYS 82 -5.797 -0.191 1.985 667 HB3 CYS 82 HB1 CYS 82 -5.439 -0.927 3.553 668 HG CYS 82 HG CYS 82 -6.594 -2.938 2.153 669 H TYR 83 HN TYR 83 -6.167 -0.076 5.977 670 HA TYR 83 HA TYR 83 -8.465 -1.556 6.737 671 HB2 TYR 83 HB2 TYR 83 -6.300 -0.340 8.460 672 HB3 TYR 83 HB1 TYR 83 -7.574 -1.396 9.065 673 HD1 TYR 83 HD1 TYR 83 -7.591 -3.454 6.859 674 HD2 TYR 83 HD2 TYR 83 -4.343 -1.575 8.899 675 HE1 TYR 83 HE1 TYR 83 -6.183 -5.437 6.463 676 HE2 TYR 83 HE2 TYR 83 -2.956 -3.550 8.501 677 HH TYR 83 HH TYR 83 -3.739 -5.944 6.298 678 H LYS 84 HN LYS 84 -7.690 1.828 6.901 679 HA LYS 84 HA LYS 84 -9.587 2.549 8.897 680 HB2 LYS 84 HB2 LYS 84 -8.372 4.176 6.659 681 HB3 LYS 84 HB1 LYS 84 -9.432 4.836 7.889 682 HG2 LYS 84 HG2 LYS 84 -7.807 4.163 9.613 683 HG3 LYS 84 HG1 LYS 84 -6.724 3.610 8.331 684 HD2 LYS 84 HD2 LYS 84 -6.250 5.923 9.191 685 HD3 LYS 84 HD1 LYS 84 -6.515 5.818 7.450 686 HE2 LYS 84 HE2 LYS 84 -8.768 6.639 7.681 687 HE3 LYS 84 HE1 LYS 84 -8.653 6.568 9.442 688 HZ1 LYS 84 HZ1 LYS 84 -7.077 8.349 7.674 689 HZ2 LYS 84 HZ2 LYS 84 -6.940 8.278 9.355 690 HZ3 LYS 84 HZ3 LYS 84 -8.379 8.817 8.644 691 H TYR 85 HN TYR 85 -9.671 2.499 5.366 692 HA TYR 85 HA TYR 85 -12.290 3.661 5.292 693 HB2 TYR 85 HB2 TYR 85 -10.582 4.061 3.545 694 HB3 TYR 85 HB1 TYR 85 -10.717 2.378 3.047 695 HD1 TYR 85 HD1 TYR 85 -12.615 5.483 3.516 696 HD2 TYR 85 HD2 TYR 85 -12.451 1.769 1.459 697 HE1 TYR 85 HE1 TYR 85 -14.513 6.186 2.123 698 HE2 TYR 85 HE2 TYR 85 -14.349 2.445 0.068 699 HH TYR 85 HH TYR 85 -15.699 5.723 0.278 700 H ASN 86 HN ASN 86 -10.936 0.535 4.280 701 HA ASN 86 HA ASN 86 -13.582 -0.494 3.762 702 HB2 ASN 86 HB2 ASN 86 -10.897 -1.882 3.579 703 HB3 ASN 86 HB1 ASN 86 -12.425 -2.476 2.930 704 HD21 ASN 86 HD21 ASN 86 -9.830 -0.225 2.547 705 HD22 ASN 86 HD22 ASN 86 -10.239 0.300 0.952 706 HA PRO 87 HA PRO 87 -14.065 -2.227 7.849 707 HB2 PRO 87 HB2 PRO 87 -16.085 -3.974 7.102 708 HB3 PRO 87 HB1 PRO 87 -16.323 -2.306 7.623 709 HG2 PRO 87 HG2 PRO 87 -16.298 -3.451 4.882 710 HG3 PRO 87 HG1 PRO 87 -17.249 -2.105 5.538 711 HD2 PRO 87 HD2 PRO 87 -15.088 -1.750 3.936 712 HD3 PRO 87 HD1 PRO 87 -15.569 -0.582 5.183 713 HA PRO 88 HA PRO 88 -11.465 -5.663 8.080 714 HB2 PRO 88 HB2 PRO 88 -12.958 -7.303 9.791 715 HB3 PRO 88 HB1 PRO 88 -11.802 -6.060 10.266 716 HG2 PRO 88 HG2 PRO 88 -14.769 -5.920 10.085 717 HG3 PRO 88 HG1 PRO 88 -13.675 -5.152 11.251 718 HD2 PRO 88 HD2 PRO 88 -14.795 -3.742 9.286 719 HD3 PRO 88 HD1 PRO 88 -13.114 -3.443 9.779 720 H ASP 89 HN ASP 89 -14.723 -6.289 7.082 721 HA ASP 89 HA ASP 89 -13.810 -8.834 5.909 722 HB2 ASP 89 HB2 ASP 89 -16.613 -7.978 6.683 723 HB3 ASP 89 HB1 ASP 89 -16.304 -9.307 5.578 724 H HIS 90 HN HIS 90 -12.766 -7.222 4.412 725 HA HIS 90 HA HIS 90 -14.463 -7.057 2.041 726 HB2 HIS 90 HB2 HIS 90 -14.258 -4.769 3.389 727 HB3 HIS 90 HB1 HIS 90 -12.684 -4.712 2.622 728 HD1 HIS 90 HD1 HIS 90 -12.626 -4.590 0.007 729 HD2 HIS 90 HD2 HIS 90 -16.404 -4.071 1.644 730 HE1 HIS 90 HE1 HIS 90 -14.032 -3.629 -1.824 731 HE2 HIS 90 HE2 HIS 90 -16.345 -3.507 -0.862 732 H ASP 91 HN ASP 91 -13.224 -7.159 0.080 733 HA ASP 91 HA ASP 91 -11.075 -8.871 0.171 734 HB2 ASP 91 HB2 ASP 91 -11.886 -6.934 -1.991 735 HB3 ASP 91 HB1 ASP 91 -10.604 -8.119 -2.201 736 H VAL 92 HN VAL 92 -10.930 -5.333 0.000 737 HA VAL 92 HA VAL 92 -8.184 -5.213 -0.638 738 HB VAL 92 HB VAL 92 -9.141 -2.851 0.767 739 HG11 VAL 92 HG11 VAL 92 -7.160 -3.084 -0.745 740 HG12 VAL 92 HG12 VAL 92 -8.226 -1.723 -1.081 741 HG13 VAL 92 HG13 VAL 92 -8.295 -3.170 -2.086 742 HG21 VAL 92 HG21 VAL 92 -11.303 -3.564 -0.033 743 HG22 VAL 92 HG22 VAL 92 -10.657 -3.812 -1.652 744 HG23 VAL 92 HG23 VAL 92 -10.746 -2.185 -0.974 745 H VAL 93 HN VAL 93 -9.830 -5.541 2.424 746 HA VAL 93 HA VAL 93 -7.490 -4.718 3.911 747 HB VAL 93 HB VAL 93 -8.671 -5.241 5.926 748 HG11 VAL 93 HG11 VAL 93 -10.710 -4.128 4.015 749 HG12 VAL 93 HG12 VAL 93 -9.349 -3.207 4.664 750 HG13 VAL 93 HG13 VAL 93 -10.591 -3.831 5.751 751 HG21 VAL 93 HG21 VAL 93 -10.785 -6.572 4.248 752 HG22 VAL 93 HG22 VAL 93 -10.834 -6.340 5.996 753 HG23 VAL 93 HG23 VAL 93 -9.616 -7.398 5.279 754 H ALA 94 HN ALA 94 -9.030 -7.700 2.907 755 HA ALA 94 HA ALA 94 -7.324 -9.477 4.299 756 HB1 ALA 94 HB1 ALA 94 -8.821 -9.922 1.715 757 HB2 ALA 94 HB2 ALA 94 -9.465 -10.183 3.336 758 HB3 ALA 94 HB3 ALA 94 -8.133 -11.177 2.747 759 H MET 95 HN MET 95 -7.187 -7.967 1.115 760 HA MET 95 HA MET 95 -4.765 -9.251 0.342 761 HB2 MET 95 HB2 MET 95 -6.092 -6.739 -0.699 762 HB3 MET 95 HB1 MET 95 -4.672 -7.477 -1.429 763 HG2 MET 95 HG2 MET 95 -6.036 -9.569 -1.739 764 HG3 MET 95 HG1 MET 95 -7.444 -8.644 -1.218 765 HE1 MET 95 HE1 MET 95 -8.071 -6.302 -2.402 766 HE2 MET 95 HE2 MET 95 -9.033 -7.621 -3.058 767 HE3 MET 95 HE3 MET 95 -8.331 -6.422 -4.139 768 H ALA 96 HN ALA 96 -5.524 -6.239 2.032 769 HA ALA 96 HA ALA 96 -2.866 -5.204 2.010 770 HB1 ALA 96 HB1 ALA 96 -4.620 -3.661 2.469 771 HB2 ALA 96 HB2 ALA 96 -3.684 -3.819 3.956 772 HB3 ALA 96 HB3 ALA 96 -5.228 -4.652 3.796 773 H ARG 97 HN ARG 97 -4.571 -7.518 3.924 774 HA ARG 97 HA ARG 97 -2.774 -7.518 6.152 775 HB2 ARG 97 HB2 ARG 97 -5.198 -8.151 6.234 776 HB3 ARG 97 HB1 ARG 97 -4.796 -9.610 5.343 777 HG2 ARG 97 HG2 ARG 97 -3.284 -10.262 7.195 778 HG3 ARG 97 HG1 ARG 97 -3.849 -8.844 8.088 779 HD2 ARG 97 HD2 ARG 97 -5.024 -10.943 8.708 780 HD3 ARG 97 HD1 ARG 97 -6.097 -9.678 8.106 781 HE ARG 97 HE ARG 97 -5.146 -11.737 6.244 782 HH11 ARG 97 HH11 ARG 97 -7.776 -10.317 8.072 783 HH12 ARG 97 HH12 ARG 97 -9.010 -11.133 7.166 784 HH21 ARG 97 HH21 ARG 97 -6.774 -12.796 5.043 785 HH22 ARG 97 HH22 ARG 97 -8.439 -12.544 5.453 786 H LYS 98 HN LYS 98 -3.275 -9.587 3.315 787 HA LYS 98 HA LYS 98 -1.264 -11.466 4.067 788 HB2 LYS 98 HB2 LYS 98 -3.159 -12.026 2.593 789 HB3 LYS 98 HB1 LYS 98 -2.511 -10.958 1.362 790 HG2 LYS 98 HG2 LYS 98 -0.467 -12.385 1.302 791 HG3 LYS 98 HG1 LYS 98 -1.270 -13.486 2.416 792 HD2 LYS 98 HD2 LYS 98 -3.060 -13.837 0.794 793 HD3 LYS 98 HD1 LYS 98 -2.272 -12.719 -0.319 794 HE2 LYS 98 HE2 LYS 98 -1.826 -15.066 -0.880 795 HE3 LYS 98 HE1 LYS 98 -0.364 -14.163 -0.494 796 HZ1 LYS 98 HZ1 LYS 98 -1.803 -15.970 1.376 797 HZ2 LYS 98 HZ2 LYS 98 -0.358 -15.152 1.699 798 HZ3 LYS 98 HZ3 LYS 98 -0.395 -16.370 0.528 799 H LEU 99 HN LEU 99 -1.355 -8.714 1.827 800 HA LEU 99 HA LEU 99 1.342 -8.851 1.046 801 HB2 LEU 99 HB2 LEU 99 -0.773 -6.797 0.957 802 HB3 LEU 99 HB1 LEU 99 0.865 -6.212 0.911 803 HG LEU 99 HG LEU 99 -0.709 -7.453 -1.196 804 HD11 LEU 99 HD11 LEU 99 1.920 -6.047 -1.303 805 HD12 LEU 99 HD12 LEU 99 0.388 -5.194 -1.119 806 HD13 LEU 99 HD13 LEU 99 0.700 -6.152 -2.569 807 HD21 LEU 99 HD21 LEU 99 2.175 -8.277 -1.015 808 HD22 LEU 99 HD22 LEU 99 0.990 -8.737 -2.238 809 HD23 LEU 99 HD23 LEU 99 0.839 -9.359 -0.597 810 H GLN 100 HN GLN 100 -0.186 -7.571 3.915 811 HA GLN 100 HA GLN 100 2.030 -6.181 4.964 812 HB2 GLN 100 HB2 GLN 100 -0.160 -6.005 6.034 813 HB3 GLN 100 HB1 GLN 100 -0.166 -7.729 6.385 814 HG2 GLN 100 HG2 GLN 100 0.331 -6.514 8.387 815 HG3 GLN 100 HG1 GLN 100 1.760 -7.411 7.883 816 HE21 GLN 100 HE21 GLN 100 0.688 -4.431 6.393 817 HE22 GLN 100 HE22 GLN 100 2.000 -3.456 6.954 818 H ASP 101 HN ASP 101 1.066 -9.570 5.099 819 HA ASP 101 HA ASP 101 3.012 -10.551 6.818 820 HB2 ASP 101 HB2 ASP 101 1.124 -11.905 6.124 821 HB3 ASP 101 HB1 ASP 101 1.687 -11.896 4.457 822 H VAL 102 HN VAL 102 3.145 -10.276 3.264 823 HA VAL 102 HA VAL 102 5.799 -11.289 3.102 824 HB VAL 102 HB VAL 102 4.622 -11.499 1.097 825 HG11 VAL 102 HG11 VAL 102 3.739 -9.453 -0.095 826 HG12 VAL 102 HG12 VAL 102 3.827 -8.657 1.474 827 HG13 VAL 102 HG13 VAL 102 2.811 -10.085 1.260 828 HG21 VAL 102 HG21 VAL 102 6.032 -9.066 0.229 829 HG22 VAL 102 HG22 VAL 102 6.096 -10.707 -0.420 830 HG23 VAL 102 HG23 VAL 102 7.000 -10.298 1.040 831 H PHE 103 HN PHE 103 4.544 -7.963 2.816 832 HA PHE 103 HA PHE 103 6.999 -6.683 2.533 833 HB2 PHE 103 HB2 PHE 103 5.273 -5.265 2.076 834 HB3 PHE 103 HB1 PHE 103 4.297 -5.811 3.435 835 HD1 PHE 103 HD1 PHE 103 7.515 -4.047 2.765 836 HD2 PHE 103 HD2 PHE 103 4.049 -4.331 5.241 837 HE1 PHE 103 HE1 PHE 103 8.287 -2.117 4.075 838 HE2 PHE 103 HE2 PHE 103 4.829 -2.424 6.546 839 HZ PHE 103 HZ PHE 103 6.944 -1.302 5.971 840 H GLU 104 HN GLU 104 5.373 -7.721 5.510 841 HA GLU 104 HA GLU 104 7.194 -6.271 7.191 842 HB2 GLU 104 HB2 GLU 104 6.007 -7.052 9.007 843 HB3 GLU 104 HB1 GLU 104 4.783 -7.123 7.752 844 HG2 GLU 104 HG2 GLU 104 5.178 -9.533 7.510 845 HG3 GLU 104 HG1 GLU 104 6.411 -9.447 8.766 846 H PHE 105 HN PHE 105 7.026 -9.454 5.818 847 HA PHE 105 HA PHE 105 9.154 -10.622 7.293 848 HB2 PHE 105 HB2 PHE 105 7.467 -11.932 6.049 849 HB3 PHE 105 HB1 PHE 105 8.078 -11.280 4.536 850 HD1 PHE 105 HD1 PHE 105 9.571 -12.531 3.332 851 HD2 PHE 105 HD2 PHE 105 9.270 -13.159 7.529 852 HE1 PHE 105 HE1 PHE 105 11.134 -14.423 3.157 853 HE2 PHE 105 HE2 PHE 105 10.834 -15.048 7.364 854 HZ PHE 105 HZ PHE 105 11.767 -15.685 5.174 855 H ARG 106 HN ARG 106 8.904 -8.761 4.335 856 HA ARG 106 HA ARG 106 11.569 -9.025 3.456 857 HB2 ARG 106 HB2 ARG 106 9.476 -6.907 2.962 858 HB3 ARG 106 HB1 ARG 106 11.038 -6.911 2.179 859 HG2 ARG 106 HG2 ARG 106 9.157 -9.195 2.004 860 HG3 ARG 106 HG1 ARG 106 9.183 -7.846 0.857 861 HD2 ARG 106 HD2 ARG 106 11.275 -9.907 1.402 862 HD3 ARG 106 HD1 ARG 106 10.568 -9.375 -0.094 863 HE ARG 106 HE ARG 106 12.333 -7.590 1.383 864 HH11 ARG 106 HH11 ARG 106 11.522 -9.300 -1.570 865 HH12 ARG 106 HH12 ARG 106 12.830 -8.589 -2.474 866 HH21 ARG 106 HH21 ARG 106 14.053 -6.683 0.193 867 HH22 ARG 106 HH22 ARG 106 14.274 -7.118 -1.469 868 H TYR 107 HN TYR 107 9.931 -6.474 5.337 869 HA TYR 107 HA TYR 107 12.305 -4.945 5.683 870 HB2 TYR 107 HB2 TYR 107 9.963 -4.030 5.823 871 HB3 TYR 107 HB1 TYR 107 9.820 -4.796 7.406 872 HD1 TYR 107 HD1 TYR 107 11.293 -2.006 5.545 873 HD2 TYR 107 HD2 TYR 107 11.152 -4.001 9.301 874 HE1 TYR 107 HE1 TYR 107 12.369 -0.070 6.609 875 HE2 TYR 107 HE2 TYR 107 12.213 -2.065 10.374 876 HH TYR 107 HH TYR 107 12.398 0.909 9.057 877 H ALA 108 HN ALA 108 10.774 -7.495 7.561 878 HA ALA 108 HA ALA 108 12.237 -7.192 9.939 879 HB1 ALA 108 HB1 ALA 108 10.257 -8.639 9.724 880 HB2 ALA 108 HB2 ALA 108 11.633 -9.481 10.438 881 HB3 ALA 108 HB3 ALA 108 11.204 -9.764 8.750 882 H LYS 109 HN LYS 109 13.006 -8.806 6.908 883 HA LYS 109 HA LYS 109 15.487 -9.858 8.006 884 HB2 LYS 109 HB2 LYS 109 14.395 -9.992 5.191 885 HB3 LYS 109 HB1 LYS 109 15.841 -10.814 5.761 886 HG2 LYS 109 HG2 LYS 109 14.429 -12.056 7.382 887 HG3 LYS 109 HG1 LYS 109 13.008 -11.307 6.650 888 HD2 LYS 109 HD2 LYS 109 14.980 -13.176 5.345 889 HD3 LYS 109 HD1 LYS 109 13.290 -13.501 5.722 890 HE2 LYS 109 HE2 LYS 109 13.091 -13.014 3.502 891 HE3 LYS 109 HE1 LYS 109 12.917 -11.391 4.167 892 HZ1 LYS 109 HZ1 LYS 109 15.244 -10.980 3.720 893 HZ2 LYS 109 HZ2 LYS 109 14.470 -11.466 2.301 894 HZ3 LYS 109 HZ3 LYS 109 15.450 -12.554 3.141 895 H MET 110 HN MET 110 14.426 -6.995 6.607 896 HA MET 110 HA MET 110 16.919 -6.209 5.433 897 HB2 MET 110 HB2 MET 110 14.974 -5.098 4.608 898 HB3 MET 110 HB1 MET 110 14.443 -4.672 6.227 899 HG2 MET 110 HG2 MET 110 17.043 -3.597 5.274 900 HG3 MET 110 HG1 MET 110 15.563 -2.909 4.617 901 HE1 MET 110 HE1 MET 110 16.198 -0.538 5.527 902 HE2 MET 110 HE2 MET 110 17.703 -1.173 6.197 903 HE3 MET 110 HE3 MET 110 16.631 -0.201 7.206 904 HA PRO 111 HA PRO 111 18.691 -5.273 9.417 905 HB2 PRO 111 HB2 PRO 111 21.225 -4.933 8.605 906 HB3 PRO 111 HB1 PRO 111 20.483 -6.530 8.716 907 HG2 PRO 111 HG2 PRO 111 21.044 -4.867 6.318 908 HG3 PRO 111 HG1 PRO 111 21.060 -6.629 6.494 909 HD2 PRO 111 HD2 PRO 111 18.998 -5.090 5.385 910 HD3 PRO 111 HD1 PRO 111 18.879 -6.794 5.895 911 H ASP 112 HN ASP 112 19.292 -3.466 10.509 912 HA ASP 112 HA ASP 112 18.847 -0.945 9.167 913 HB2 ASP 112 HB2 ASP 112 19.383 -1.645 12.060 914 HB3 ASP 112 HB1 ASP 112 19.163 0.005 11.489 915 H1 HIS 281 HT1 HIS 281 -24.750 10.973 8.348 916 H2 HIS 281 HT2 HIS 281 -24.139 12.014 7.166 917 H3 HIS 281 HT3 HIS 281 -23.460 12.005 8.714 918 HA HIS 281 HA HIS 281 -23.394 9.778 6.771 919 HB2 HIS 281 HB2 HIS 281 -21.918 11.693 6.201 920 HB3 HIS 281 HB1 HIS 281 -21.174 11.574 7.790 921 HD1 HIS 281 HD1 HIS 281 -21.274 9.910 4.436 922 HD2 HIS 281 HD2 HIS 281 -19.300 9.516 8.077 923 HE1 HIS 281 HE1 HIS 281 -19.365 8.323 4.011 924 HE2 HIS 281 HE2 HIS 281 -18.133 8.175 6.203 925 H ASN 282 HN ASN 282 -24.214 8.344 8.343 926 HA ASN 282 HA ASN 282 -22.534 7.864 10.690 927 HB2 ASN 282 HB2 ASN 282 -24.960 7.834 11.038 928 HB3 ASN 282 HB1 ASN 282 -25.133 6.580 9.817 929 HD21 ASN 282 HD21 ASN 282 -26.050 5.114 11.198 930 HD22 ASN 282 HD22 ASN 282 -25.169 4.334 12.467 931 H LEU 283 HN LEU 283 -23.682 6.304 7.752 932 HA LEU 283 HA LEU 283 -21.915 4.035 8.175 933 HB2 LEU 283 HB2 LEU 283 -23.923 4.665 6.012 934 HB3 LEU 283 HB1 LEU 283 -22.889 3.253 5.979 935 HG LEU 283 HG LEU 283 -23.947 2.621 8.221 936 HD11 LEU 283 HD11 LEU 283 -24.944 4.782 8.743 937 HD12 LEU 283 HD12 LEU 283 -26.172 3.521 8.644 938 HD13 LEU 283 HD13 LEU 283 -25.972 4.660 7.315 939 HD21 LEU 283 HD21 LEU 283 -25.872 1.603 7.118 940 HD22 LEU 283 HD22 LEU 283 -24.420 1.476 6.125 941 HD23 LEU 283 HD23 LEU 283 -25.651 2.677 5.736 942 H LEU 284 HN LEU 284 -20.366 3.403 6.602 943 HA LEU 284 HA LEU 284 -19.350 5.629 4.969 944 HB2 LEU 284 HB2 LEU 284 -17.814 4.974 6.770 945 HB3 LEU 284 HB1 LEU 284 -17.853 3.314 6.213 946 HG LEU 284 HG LEU 284 -16.762 4.005 4.107 947 HD11 LEU 284 HD11 LEU 284 -17.471 6.270 3.889 948 HD12 LEU 284 HD12 LEU 284 -15.716 6.274 4.058 949 HD13 LEU 284 HD13 LEU 284 -16.734 6.708 5.429 950 HD21 LEU 284 HD21 LEU 284 -15.310 4.827 6.615 951 HD22 LEU 284 HD22 LEU 284 -14.556 4.459 5.065 952 HD23 LEU 284 HD23 LEU 284 -15.409 3.196 5.952 953 H ARG 285 HN ARG 285 -18.789 5.187 2.835 954 HA ARG 285 HA ARG 285 -20.212 3.019 1.629 955 HB2 ARG 285 HB2 ARG 285 -18.314 5.069 0.474 956 HB3 ARG 285 HB1 ARG 285 -19.116 3.844 -0.495 957 HG2 ARG 285 HG2 ARG 285 -20.392 5.784 -0.767 958 HG3 ARG 285 HG1 ARG 285 -21.303 4.799 0.375 959 HD2 ARG 285 HD2 ARG 285 -20.489 6.120 2.219 960 HD3 ARG 285 HD1 ARG 285 -19.436 7.030 1.138 961 HE ARG 285 HE ARG 285 -22.309 7.124 0.623 962 HH11 ARG 285 HH11 ARG 285 -19.447 8.680 1.904 963 HH12 ARG 285 HH12 ARG 285 -20.150 10.276 1.859 964 HH21 ARG 285 HH21 ARG 285 -23.231 9.226 0.577 965 HH22 ARG 285 HH22 ARG 285 -22.298 10.580 1.127 966 H ILE 286 HN ILE 286 -19.395 1.166 0.694 967 HA ILE 286 HA ILE 286 -16.653 0.507 1.442 968 HB ILE 286 HB ILE 286 -17.184 -1.805 0.847 969 HG12 ILE 286 HG12 ILE 286 -19.969 -0.791 0.234 970 HG13 ILE 286 HG11 ILE 286 -18.802 -1.331 -0.964 971 HG21 ILE 286 HG21 ILE 286 -17.607 -1.065 3.112 972 HG22 ILE 286 HG22 ILE 286 -18.825 -2.242 2.624 973 HG23 ILE 286 HG23 ILE 286 -19.223 -0.525 2.660 974 HD11 ILE 286 HD11 ILE 286 -20.012 -3.021 1.200 975 HD12 ILE 286 HD12 ILE 286 -18.840 -3.566 0.001 976 HD13 ILE 286 HD13 ILE 286 -20.446 -3.044 -0.506 977 HH31 ALY 287 HH1 ALY 287 -6.647 1.543 -1.330 978 HH32 ALY 287 HH2 ALY 287 -6.639 2.454 0.182 979 HH33 ALY 287 HH3 ALY 287 -6.755 0.695 0.215 980 HZ ALY 287 HZ1 ALY 287 -8.670 0.829 -2.167 981 HE3 ALY 287 HE2 ALY 287 -10.954 2.286 -1.777 982 HE2 ALY 287 HE1 ALY 287 -11.117 0.884 -0.719 983 HD3 ALY 287 HD2 ALY 287 -10.875 -0.617 -2.589 984 HD2 ALY 287 HD1 ALY 287 -10.550 0.735 -3.676 985 HG3 ALY 287 HG2 ALY 287 -12.857 -0.141 -3.847 986 HG2 ALY 287 HG1 ALY 287 -12.778 1.566 -3.415 987 HB3 ALY 287 HB2 ALY 287 -13.106 0.965 -1.058 988 HB2 ALY 287 HB1 ALY 287 -13.232 -0.726 -1.516 989 HCA ALY 287 HA ALY 287 -15.097 1.409 -2.519 990 H ALY 287 HN ALY 287 -15.057 0.363 0.042 991 H GLN 288 HN GLN 288 -15.506 0.588 -4.540 992 HA GLN 288 HA GLN 288 -16.879 -1.932 -4.699 993 HB2 GLN 288 HB2 GLN 288 -17.227 0.315 -6.067 994 HB3 GLN 288 HB1 GLN 288 -16.061 -0.429 -7.150 995 HG2 GLN 288 HG2 GLN 288 -18.652 -1.697 -6.284 996 HG3 GLN 288 HG1 GLN 288 -18.411 -0.826 -7.795 997 HE21 GLN 288 HE21 GLN 288 -17.234 -1.776 -9.432 998 HE22 GLN 288 HE22 GLN 288 -16.836 -3.457 -9.436 999 H PHE 289 HN PHE 289 -14.831 -2.912 -3.808 1000 HA PHE 289 HA PHE 289 -13.135 -3.876 -6.018 1001 HB2 PHE 289 HB2 PHE 289 -12.543 -3.268 -3.155 1002 HB3 PHE 289 HB1 PHE 289 -11.694 -4.612 -3.901 1003 HD1 PHE 289 HD1 PHE 289 -12.556 -1.777 -6.017 1004 HD2 PHE 289 HD2 PHE 289 -9.621 -3.443 -3.436 1005 HE1 PHE 289 HE1 PHE 289 -10.871 -0.225 -6.925 1006 HE2 PHE 289 HE2 PHE 289 -7.943 -1.888 -4.316 1007 HZ PHE 289 HZ PHE 289 -8.564 -0.276 -6.074 1008 H LEU 290 HN LEU 290 -15.604 -4.968 -5.722 1009 HA LEU 290 HA LEU 290 -15.601 -7.233 -3.973 1010 HB2 LEU 290 HB2 LEU 290 -17.359 -6.657 -6.361 1011 HB3 LEU 290 HB1 LEU 290 -17.667 -7.856 -5.120 1012 HG LEU 290 HG LEU 290 -17.606 -4.867 -4.684 1013 HD11 LEU 290 HD11 LEU 290 -20.019 -5.087 -4.363 1014 HD12 LEU 290 HD12 LEU 290 -19.921 -6.798 -4.779 1015 HD13 LEU 290 HD13 LEU 290 -19.537 -5.572 -5.988 1016 HD21 LEU 290 HD21 LEU 290 -18.489 -5.400 -2.462 1017 HD22 LEU 290 HD22 LEU 290 -16.886 -6.092 -2.707 1018 HD23 LEU 290 HD23 LEU 290 -18.314 -7.120 -2.806 1019 H GLN 291 HN GLN 291 -13.690 -8.321 -4.483 1020 HA GLN 291 HA GLN 291 -13.157 -9.149 -7.191 1021 HB2 GLN 291 HB2 GLN 291 -11.334 -8.535 -5.660 1022 HB3 GLN 291 HB1 GLN 291 -11.770 -9.868 -4.602 1023 HG2 GLN 291 HG2 GLN 291 -9.811 -10.350 -6.006 1024 HG3 GLN 291 HG1 GLN 291 -11.142 -11.472 -6.278 1025 HE21 GLN 291 HE21 GLN 291 -12.123 -11.544 -8.256 1026 HE22 GLN 291 HE22 GLN 291 -11.554 -10.670 -9.634 1027 H SER 292 HN SER 292 -14.331 -10.713 -8.051 1028 HA SER 292 HA SER 292 -14.731 -13.154 -6.471 1029 HB2 SER 292 HB2 SER 292 -16.828 -11.713 -6.787 1030 HB3 SER 292 HB1 SER 292 -16.733 -12.138 -8.494 1031 HG SER 292 HG SER 292 -17.485 -13.666 -6.316 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 27.437 6.606 -2.171 2 H2 GLY 1 HT2 GLY 1 27.205 5.669 -3.557 3 H3 GLY 1 HT3 GLY 1 26.171 5.491 -2.235 4 HA2 GLY 1 HA1 GLY 1 25.358 7.747 -2.535 5 HA3 GLY 1 HA2 GLY 1 26.418 7.909 -3.929 6 H LYS 2 HN LYS 2 23.706 8.316 -4.165 7 HA LYS 2 HA LYS 2 21.907 7.782 -5.428 8 HB2 LYS 2 HB2 LYS 2 23.795 5.783 -6.686 9 HB3 LYS 2 HB1 LYS 2 22.220 6.228 -7.327 10 HG2 LYS 2 HG2 LYS 2 24.555 8.094 -6.960 11 HG3 LYS 2 HG1 LYS 2 24.031 7.380 -8.486 12 HD2 LYS 2 HD2 LYS 2 21.866 8.521 -8.259 13 HD3 LYS 2 HD1 LYS 2 22.415 9.246 -6.749 14 HE2 LYS 2 HE2 LYS 2 23.737 9.643 -9.429 15 HE3 LYS 2 HE1 LYS 2 22.589 10.763 -8.700 16 HZ1 LYS 2 HZ1 LYS 2 24.116 11.012 -6.824 17 HZ2 LYS 2 HZ2 LYS 2 24.829 11.482 -8.281 18 HZ3 LYS 2 HZ3 LYS 2 25.230 9.994 -7.589 19 H LEU 3 HN LEU 3 20.735 7.071 -3.671 20 HA LEU 3 HA LEU 3 19.436 5.671 -2.465 21 HB2 LEU 3 HB2 LEU 3 20.286 3.668 -4.555 22 HB3 LEU 3 HB1 LEU 3 19.238 3.251 -3.213 23 HG LEU 3 HG LEU 3 18.579 5.344 -5.284 24 HD11 LEU 3 HD11 LEU 3 17.537 2.524 -4.995 25 HD12 LEU 3 HD12 LEU 3 18.702 3.052 -6.211 26 HD13 LEU 3 HD13 LEU 3 17.066 3.707 -6.217 27 HD21 LEU 3 HD21 LEU 3 17.517 5.639 -3.052 28 HD22 LEU 3 HD22 LEU 3 16.840 4.018 -3.205 29 HD23 LEU 3 HD23 LEU 3 16.363 5.282 -4.336 30 H SER 4 HN SER 4 20.136 5.370 -0.497 31 HA SER 4 HA SER 4 22.647 4.203 0.151 32 HB2 SER 4 HB2 SER 4 21.725 5.805 1.702 33 HB3 SER 4 HB1 SER 4 20.228 4.881 1.850 34 HG SER 4 HG SER 4 21.821 4.658 3.597 35 H GLU 5 HN GLU 5 22.711 2.255 1.743 36 HA GLU 5 HA GLU 5 21.900 -0.054 0.434 37 HB2 GLU 5 HB2 GLU 5 23.639 0.115 2.238 38 HB3 GLU 5 HB1 GLU 5 22.338 0.218 3.415 39 HG2 GLU 5 HG2 GLU 5 23.215 -2.025 3.327 40 HG3 GLU 5 HG1 GLU 5 21.555 -1.999 2.732 41 H GLN 6 HN GLN 6 20.376 1.656 3.116 42 HA GLN 6 HA GLN 6 18.201 -0.055 3.544 43 HB2 GLN 6 HB2 GLN 6 18.510 2.923 3.964 44 HB3 GLN 6 HB1 GLN 6 17.072 2.038 4.445 45 HG2 GLN 6 HG2 GLN 6 18.720 2.509 6.265 46 HG3 GLN 6 HG1 GLN 6 18.242 0.824 6.090 47 HE21 GLN 6 HE21 GLN 6 19.765 -0.688 5.510 48 HE22 GLN 6 HE22 GLN 6 21.455 -0.337 5.432 49 H LEU 7 HN LEU 7 18.647 2.646 1.316 50 HA LEU 7 HA LEU 7 15.901 2.642 0.476 51 HB2 LEU 7 HB2 LEU 7 18.318 4.100 -0.585 52 HB3 LEU 7 HB1 LEU 7 16.692 4.338 -1.190 53 HG LEU 7 HG LEU 7 17.511 4.836 1.662 54 HD11 LEU 7 HD11 LEU 7 18.656 6.365 0.146 55 HD12 LEU 7 HD12 LEU 7 17.424 7.206 1.083 56 HD13 LEU 7 HD13 LEU 7 17.118 6.786 -0.603 57 HD21 LEU 7 HD21 LEU 7 15.208 4.449 1.666 58 HD22 LEU 7 HD22 LEU 7 14.984 5.249 0.109 59 HD23 LEU 7 HD23 LEU 7 15.348 6.205 1.545 60 H LYS 8 HN LYS 8 18.877 1.201 -0.646 61 HA LYS 8 HA LYS 8 17.835 0.439 -3.191 62 HB2 LYS 8 HB2 LYS 8 20.246 0.533 -2.789 63 HB3 LYS 8 HB1 LYS 8 20.098 -0.726 -1.577 64 HG2 LYS 8 HG2 LYS 8 20.970 -1.584 -3.692 65 HG3 LYS 8 HG1 LYS 8 19.432 -2.327 -3.259 66 HD2 LYS 8 HD2 LYS 8 19.469 -1.806 -5.627 67 HD3 LYS 8 HD1 LYS 8 18.278 -0.798 -4.806 68 HE2 LYS 8 HE2 LYS 8 19.517 0.531 -6.400 69 HE3 LYS 8 HE1 LYS 8 19.918 1.047 -4.764 70 HZ1 LYS 8 HZ1 LYS 8 21.881 0.888 -6.162 71 HZ2 LYS 8 HZ2 LYS 8 21.573 -0.749 -6.454 72 HZ3 LYS 8 HZ3 LYS 8 21.960 -0.228 -4.894 73 H HIS 9 HN HIS 9 17.916 -0.990 0.013 74 HA HIS 9 HA HIS 9 16.740 -3.451 -0.800 75 HB2 HIS 9 HB2 HIS 9 17.984 -2.788 1.443 76 HB3 HIS 9 HB1 HIS 9 16.348 -2.410 1.972 77 HD1 HIS 9 HD1 HIS 9 18.662 -5.111 1.931 78 HD2 HIS 9 HD2 HIS 9 14.555 -4.796 1.428 79 HE1 HIS 9 HE1 HIS 9 17.751 -7.409 2.388 80 HE2 HIS 9 HE2 HIS 9 15.287 -7.229 1.897 81 H CYS 10 HN CYS 10 15.454 -0.318 0.243 82 HA CYS 10 HA CYS 10 12.767 -1.222 0.453 83 HB2 CYS 10 HB2 CYS 10 12.108 1.041 0.658 84 HB3 CYS 10 HB1 CYS 10 13.689 0.946 1.436 85 HG CYS 10 HG CYS 10 14.484 1.779 -1.506 86 H ASN 11 HN ASN 11 14.786 -0.166 -2.173 87 HA ASN 11 HA ASN 11 12.737 0.159 -4.105 88 HB2 ASN 11 HB2 ASN 11 15.092 0.991 -4.356 89 HB3 ASN 11 HB1 ASN 11 15.614 -0.677 -4.565 90 HD21 ASN 11 HD21 ASN 11 13.888 1.985 -5.961 91 HD22 ASN 11 HD22 ASN 11 13.828 1.363 -7.576 92 H GLY 12 HN GLY 12 14.670 -2.565 -3.002 93 HA2 GLY 12 HA2 GLY 12 13.741 -4.419 -4.956 94 HA3 GLY 12 HA1 GLY 12 14.576 -4.817 -3.460 95 H ILE 13 HN ILE 13 12.776 -3.738 -1.612 96 HA ILE 13 HA ILE 13 10.883 -5.801 -1.364 97 HB ILE 13 HB ILE 13 10.969 -3.102 -0.037 98 HG12 ILE 13 HG12 ILE 13 11.716 -5.811 1.054 99 HG13 ILE 13 HG11 ILE 13 12.884 -4.690 0.376 100 HG21 ILE 13 HG21 ILE 13 9.031 -5.273 0.161 101 HG22 ILE 13 HG22 ILE 13 8.832 -3.553 0.460 102 HG23 ILE 13 HG23 ILE 13 9.567 -4.586 1.687 103 HD11 ILE 13 HD11 ILE 13 11.300 -4.486 2.896 104 HD12 ILE 13 HD12 ILE 13 12.002 -3.052 2.149 105 HD13 ILE 13 HD13 ILE 13 13.042 -4.379 2.671 106 H LEU 14 HN LEU 14 10.474 -2.408 -2.309 107 HA LEU 14 HA LEU 14 7.740 -2.433 -2.819 108 HB2 LEU 14 HB2 LEU 14 9.757 -0.587 -2.993 109 HB3 LEU 14 HB1 LEU 14 9.359 -0.842 -4.678 110 HG LEU 14 HG LEU 14 7.312 -0.128 -2.597 111 HD11 LEU 14 HD11 LEU 14 9.083 1.561 -4.319 112 HD12 LEU 14 HD12 LEU 14 8.765 1.698 -2.587 113 HD13 LEU 14 HD13 LEU 14 7.517 2.146 -3.752 114 HD21 LEU 14 HD21 LEU 14 6.764 -1.192 -4.949 115 HD22 LEU 14 HD22 LEU 14 7.102 0.451 -5.505 116 HD23 LEU 14 HD23 LEU 14 5.838 0.173 -4.321 117 H LYS 15 HN LYS 15 10.456 -3.090 -4.991 118 HA LYS 15 HA LYS 15 9.107 -3.517 -7.350 119 HB2 LYS 15 HB2 LYS 15 11.347 -3.444 -7.693 120 HB3 LYS 15 HB1 LYS 15 11.708 -4.250 -6.175 121 HG2 LYS 15 HG2 LYS 15 12.392 -5.785 -7.742 122 HG3 LYS 15 HG1 LYS 15 10.781 -6.326 -7.315 123 HD2 LYS 15 HD2 LYS 15 9.864 -5.576 -9.327 124 HD3 LYS 15 HD1 LYS 15 11.243 -4.522 -9.662 125 HE2 LYS 15 HE2 LYS 15 12.651 -6.372 -10.122 126 HE3 LYS 15 HE1 LYS 15 11.461 -7.509 -9.508 127 HZ1 LYS 15 HZ1 LYS 15 11.485 -7.511 -11.912 128 HZ2 LYS 15 HZ2 LYS 15 11.199 -5.847 -11.955 129 HZ3 LYS 15 HZ3 LYS 15 10.010 -6.893 -11.369 130 H GLU 16 HN GLU 16 9.647 -5.639 -4.644 131 HA GLU 16 HA GLU 16 8.761 -7.977 -6.028 132 HB2 GLU 16 HB2 GLU 16 10.359 -8.225 -4.214 133 HB3 GLU 16 HB1 GLU 16 9.230 -7.495 -3.077 134 HG2 GLU 16 HG2 GLU 16 7.688 -9.481 -3.723 135 HG3 GLU 16 HG1 GLU 16 9.170 -10.225 -4.300 136 H LEU 17 HN LEU 17 7.321 -5.818 -3.611 137 HA LEU 17 HA LEU 17 4.812 -7.146 -3.477 138 HB2 LEU 17 HB2 LEU 17 5.447 -4.210 -3.105 139 HB3 LEU 17 HB1 LEU 17 3.971 -4.993 -2.604 140 HG LEU 17 HG LEU 17 6.620 -5.880 -1.507 141 HD11 LEU 17 HD11 LEU 17 6.367 -3.435 -1.207 142 HD12 LEU 17 HD12 LEU 17 6.370 -4.332 0.309 143 HD13 LEU 17 HD13 LEU 17 4.852 -3.727 -0.356 144 HD21 LEU 17 HD21 LEU 17 4.695 -7.334 -1.087 145 HD22 LEU 17 HD22 LEU 17 3.795 -5.964 -0.445 146 HD23 LEU 17 HD23 LEU 17 5.225 -6.552 0.399 147 H LEU 18 HN LEU 18 6.319 -5.158 -5.837 148 HA LEU 18 HA LEU 18 3.860 -4.649 -7.310 149 HB2 LEU 18 HB2 LEU 18 6.731 -3.902 -7.797 150 HB3 LEU 18 HB1 LEU 18 5.446 -3.561 -8.934 151 HG LEU 18 HG LEU 18 5.675 -2.488 -6.129 152 HD11 LEU 18 HD11 LEU 18 7.216 -1.340 -7.497 153 HD12 LEU 18 HD12 LEU 18 5.785 -0.307 -7.417 154 HD13 LEU 18 HD13 LEU 18 6.085 -1.288 -8.852 155 HD21 LEU 18 HD21 LEU 18 3.673 -1.343 -6.459 156 HD22 LEU 18 HD22 LEU 18 3.327 -2.974 -6.995 157 HD23 LEU 18 HD23 LEU 18 3.629 -1.701 -8.176 158 H SER 19 HN SER 19 6.220 -7.082 -7.176 159 HA SER 19 HA SER 19 6.314 -7.794 -9.920 160 HB2 SER 19 HB2 SER 19 7.346 -9.866 -9.216 161 HB3 SER 19 HB1 SER 19 8.000 -8.555 -8.235 162 HG SER 19 HG SER 19 6.516 -9.178 -6.585 163 H LYS 20 HN LYS 20 5.344 -9.529 -10.987 164 HA LYS 20 HA LYS 20 2.565 -9.625 -10.664 165 HB2 LYS 20 HB2 LYS 20 4.453 -11.247 -12.354 166 HB3 LYS 20 HB1 LYS 20 2.702 -11.437 -12.426 167 HG2 LYS 20 HG2 LYS 20 4.046 -8.792 -12.810 168 HG3 LYS 20 HG1 LYS 20 3.739 -9.903 -14.149 169 HD2 LYS 20 HD2 LYS 20 1.346 -9.845 -13.620 170 HD3 LYS 20 HD1 LYS 20 1.667 -8.737 -12.287 171 HE2 LYS 20 HE2 LYS 20 0.862 -7.545 -14.254 172 HE3 LYS 20 HE1 LYS 20 2.513 -7.075 -13.857 173 HZ1 LYS 20 HZ1 LYS 20 3.323 -8.503 -15.605 174 HZ2 LYS 20 HZ2 LYS 20 2.184 -7.430 -16.237 175 HZ3 LYS 20 HZ3 LYS 20 1.755 -9.038 -15.952 176 H LYS 21 HN LYS 21 5.003 -11.429 -9.174 177 HA LYS 21 HA LYS 21 3.679 -13.838 -8.612 178 HB2 LYS 21 HB2 LYS 21 6.013 -13.696 -8.169 179 HB3 LYS 21 HB1 LYS 21 5.810 -12.287 -7.151 180 HG2 LYS 21 HG2 LYS 21 4.675 -13.630 -5.481 181 HG3 LYS 21 HG1 LYS 21 4.840 -15.061 -6.490 182 HD2 LYS 21 HD2 LYS 21 7.342 -14.626 -6.418 183 HD3 LYS 21 HD1 LYS 21 6.983 -13.495 -5.105 184 HE2 LYS 21 HE2 LYS 21 7.475 -15.573 -4.072 185 HE3 LYS 21 HE1 LYS 21 5.722 -15.361 -4.007 186 HZ1 LYS 21 HZ1 LYS 21 7.150 -17.000 -6.023 187 HZ2 LYS 21 HZ2 LYS 21 5.474 -16.832 -5.876 188 HZ3 LYS 21 HZ3 LYS 21 6.357 -17.611 -4.664 189 H HIS 22 HN HIS 22 3.531 -10.650 -7.127 190 HA HIS 22 HA HIS 22 1.704 -11.732 -5.085 191 HB2 HIS 22 HB2 HIS 22 3.251 -9.113 -5.099 192 HB3 HIS 22 HB1 HIS 22 2.141 -9.622 -3.816 193 HD1 HIS 22 HD1 HIS 22 2.943 -11.556 -2.237 194 HD2 HIS 22 HD2 HIS 22 5.748 -10.358 -5.073 195 HE1 HIS 22 HE1 HIS 22 5.113 -12.588 -1.497 196 HE2 HIS 22 HE2 HIS 22 6.838 -11.635 -3.079 197 H ALA 23 HN ALA 23 1.799 -10.014 -7.960 198 HA ALA 23 HA ALA 23 0.030 -7.942 -7.776 199 HB1 ALA 23 HB1 ALA 23 1.318 -8.573 -9.763 200 HB2 ALA 23 HB2 ALA 23 -0.371 -8.214 -10.130 201 HB3 ALA 23 HB3 ALA 23 0.184 -9.890 -10.063 202 H ALA 24 HN ALA 24 -0.747 -11.356 -7.953 203 HA ALA 24 HA ALA 24 -3.448 -11.287 -8.523 204 HB1 ALA 24 HB1 ALA 24 -1.834 -13.152 -6.808 205 HB2 ALA 24 HB2 ALA 24 -2.335 -13.369 -8.486 206 HB3 ALA 24 HB3 ALA 24 -3.533 -13.434 -7.192 207 H TYR 25 HN TYR 25 -1.818 -10.471 -5.547 208 HA TYR 25 HA TYR 25 -4.393 -9.627 -4.429 209 HB2 TYR 25 HB2 TYR 25 -3.474 -10.391 -2.141 210 HB3 TYR 25 HB1 TYR 25 -4.106 -11.620 -3.230 211 HD1 TYR 25 HD1 TYR 25 -0.928 -10.055 -2.097 212 HD2 TYR 25 HD2 TYR 25 -2.802 -13.457 -3.814 213 HE1 TYR 25 HE1 TYR 25 1.174 -11.312 -1.904 214 HE2 TYR 25 HE2 TYR 25 -0.697 -14.715 -3.645 215 HH TYR 25 HH TYR 25 1.686 -14.319 -3.444 216 H ALA 26 HN ALA 26 -1.920 -8.400 -5.703 217 HA ALA 26 HA ALA 26 -1.319 -6.467 -3.554 218 HB1 ALA 26 HB1 ALA 26 0.699 -7.687 -4.256 219 HB2 ALA 26 HB2 ALA 26 0.790 -5.982 -4.707 220 HB3 ALA 26 HB3 ALA 26 0.405 -7.193 -5.925 221 H TRP 27 HN TRP 27 -2.901 -6.892 -6.507 222 HA TRP 27 HA TRP 27 -2.321 -4.549 -7.862 223 HB2 TRP 27 HB2 TRP 27 -4.493 -4.827 -9.036 224 HB3 TRP 27 HB1 TRP 27 -3.499 -6.272 -9.018 225 HD1 TRP 27 HD1 TRP 27 -4.466 -8.408 -7.814 226 HE1 TRP 27 HE1 TRP 27 -6.806 -9.021 -6.938 227 HE3 TRP 27 HE3 TRP 27 -6.624 -3.755 -7.869 228 HZ2 TRP 27 HZ2 TRP 27 -9.232 -7.723 -6.351 229 HZ3 TRP 27 HZ3 TRP 27 -8.960 -3.543 -7.141 230 HH2 TRP 27 HH2 TRP 27 -10.237 -5.484 -6.395 231 HA PRO 28 HA PRO 28 -6.053 -2.435 -5.379 232 HB2 PRO 28 HB2 PRO 28 -5.448 -2.924 -2.656 233 HB3 PRO 28 HB1 PRO 28 -6.911 -3.400 -3.518 234 HG2 PRO 28 HG2 PRO 28 -4.562 -4.995 -2.759 235 HG3 PRO 28 HG1 PRO 28 -6.202 -5.528 -3.167 236 HD2 PRO 28 HD2 PRO 28 -4.025 -5.884 -4.793 237 HD3 PRO 28 HD1 PRO 28 -5.693 -5.796 -5.380 238 H PHE 29 HN PHE 29 -2.700 -2.956 -4.657 239 HA PHE 29 HA PHE 29 -2.530 -0.256 -3.473 240 HB2 PHE 29 HB2 PHE 29 -0.287 -2.183 -3.157 241 HB3 PHE 29 HB1 PHE 29 -0.882 -0.948 -2.046 242 HD1 PHE 29 HD1 PHE 29 -0.721 -4.389 -2.716 243 HD2 PHE 29 HD2 PHE 29 -3.270 -1.409 -1.056 244 HE1 PHE 29 HE1 PHE 29 -1.947 -6.121 -1.494 245 HE2 PHE 29 HE2 PHE 29 -4.499 -3.150 0.171 246 HZ PHE 29 HZ PHE 29 -3.834 -5.506 -0.057 247 H TYR 30 HN TYR 30 -1.749 -2.025 -6.233 248 HA TYR 30 HA TYR 30 0.693 -0.942 -7.023 249 HB2 TYR 30 HB2 TYR 30 -1.711 -1.873 -8.566 250 HB3 TYR 30 HB1 TYR 30 -0.346 -1.149 -9.405 251 HD1 TYR 30 HD1 TYR 30 0.455 -2.965 -6.431 252 HD2 TYR 30 HD2 TYR 30 -0.182 -3.373 -10.604 253 HE1 TYR 30 HE1 TYR 30 1.637 -5.107 -6.383 254 HE2 TYR 30 HE2 TYR 30 0.998 -5.535 -10.573 255 HH TYR 30 HH TYR 30 1.943 -7.050 -7.569 256 H LYS 31 HN LYS 31 -2.567 0.310 -7.687 257 HA LYS 31 HA LYS 31 -1.387 2.944 -8.209 258 HB2 LYS 31 HB2 LYS 31 -3.697 1.729 -9.715 259 HB3 LYS 31 HB1 LYS 31 -2.855 3.229 -10.091 260 HG2 LYS 31 HG2 LYS 31 -0.801 1.760 -10.518 261 HG3 LYS 31 HG1 LYS 31 -1.919 0.400 -10.466 262 HD2 LYS 31 HD2 LYS 31 -3.231 1.396 -12.266 263 HD3 LYS 31 HD1 LYS 31 -2.125 2.774 -12.306 264 HE2 LYS 31 HE2 LYS 31 -1.330 -0.085 -12.820 265 HE3 LYS 31 HE1 LYS 31 -1.682 1.096 -14.079 266 HZ1 LYS 31 HZ1 LYS 31 0.692 0.911 -13.672 267 HZ2 LYS 31 HZ2 LYS 31 0.477 1.327 -12.051 268 HZ3 LYS 31 HZ3 LYS 31 0.140 2.454 -13.263 269 HA PRO 32 HA PRO 32 -4.468 4.613 -5.434 270 HB2 PRO 32 HB2 PRO 32 -5.429 6.690 -7.033 271 HB3 PRO 32 HB1 PRO 32 -4.032 6.791 -5.957 272 HG2 PRO 32 HG2 PRO 32 -4.127 6.272 -8.901 273 HG3 PRO 32 HG1 PRO 32 -2.988 7.266 -7.970 274 HD2 PRO 32 HD2 PRO 32 -2.261 4.866 -8.820 275 HD3 PRO 32 HD1 PRO 32 -1.820 5.408 -7.186 276 H VAL 33 HN VAL 33 -6.557 4.181 -5.009 277 HA VAL 33 HA VAL 33 -8.071 2.627 -6.798 278 HB VAL 33 HB VAL 33 -9.588 2.325 -5.134 279 HG11 VAL 33 HG11 VAL 33 -7.468 1.885 -4.119 280 HG12 VAL 33 HG12 VAL 33 -8.593 2.515 -2.918 281 HG13 VAL 33 HG13 VAL 33 -7.339 3.558 -3.585 282 HG21 VAL 33 HG21 VAL 33 -10.861 4.167 -4.896 283 HG22 VAL 33 HG22 VAL 33 -9.469 5.251 -4.764 284 HG23 VAL 33 HG23 VAL 33 -9.964 4.281 -3.376 285 H ASP 34 HN ASP 34 -9.881 3.089 -8.008 286 HA ASP 34 HA ASP 34 -9.936 5.839 -8.977 287 HB2 ASP 34 HB2 ASP 34 -11.273 3.348 -10.069 288 HB3 ASP 34 HB1 ASP 34 -11.343 4.941 -10.814 289 H ALA 35 HN ALA 35 -10.905 6.491 -6.904 290 HA ALA 35 HA ALA 35 -13.323 5.615 -5.896 291 HB1 ALA 35 HB1 ALA 35 -12.406 7.023 -4.397 292 HB2 ALA 35 HB2 ALA 35 -13.418 8.220 -5.214 293 HB3 ALA 35 HB3 ALA 35 -11.716 8.066 -5.646 294 H SER 36 HN SER 36 -12.725 7.960 -8.464 295 HA SER 36 HA SER 36 -15.326 8.939 -8.773 296 HB2 SER 36 HB2 SER 36 -13.276 8.485 -10.954 297 HB3 SER 36 HB1 SER 36 -14.608 9.641 -10.981 298 HG SER 36 HG SER 36 -13.595 10.617 -9.102 299 H ALA 37 HN ALA 37 -13.762 6.077 -10.148 300 HA ALA 37 HA ALA 37 -16.123 5.348 -11.664 301 HB1 ALA 37 HB1 ALA 37 -13.469 3.967 -11.283 302 HB2 ALA 37 HB2 ALA 37 -13.964 4.944 -12.665 303 HB3 ALA 37 HB3 ALA 37 -14.754 3.400 -12.350 304 H LEU 38 HN LEU 38 -14.636 4.636 -8.646 305 HA LEU 38 HA LEU 38 -16.036 2.166 -8.172 306 HB2 LEU 38 HB2 LEU 38 -14.291 3.941 -6.480 307 HB3 LEU 38 HB1 LEU 38 -15.049 2.495 -5.844 308 HG LEU 38 HG LEU 38 -13.250 2.394 -8.253 309 HD11 LEU 38 HD11 LEU 38 -12.458 2.275 -5.344 310 HD12 LEU 38 HD12 LEU 38 -11.883 3.393 -6.577 311 HD13 LEU 38 HD13 LEU 38 -11.455 1.687 -6.669 312 HD21 LEU 38 HD21 LEU 38 -14.019 0.342 -6.187 313 HD22 LEU 38 HD22 LEU 38 -12.992 0.073 -7.596 314 HD23 LEU 38 HD23 LEU 38 -14.696 0.469 -7.811 315 H GLY 39 HN GLY 39 -16.926 5.386 -8.068 316 HA2 GLY 39 HA2 GLY 39 -18.994 6.268 -7.473 317 HA3 GLY 39 HA1 GLY 39 -19.387 4.743 -6.690 318 H LEU 40 HN LEU 40 -16.386 5.813 -5.731 319 HA LEU 40 HA LEU 40 -17.391 6.407 -3.088 320 HB2 LEU 40 HB2 LEU 40 -14.508 6.459 -3.923 321 HB3 LEU 40 HB1 LEU 40 -15.182 6.108 -2.342 322 HG LEU 40 HG LEU 40 -15.147 4.335 -4.768 323 HD11 LEU 40 HD11 LEU 40 -13.185 3.888 -3.767 324 HD12 LEU 40 HD12 LEU 40 -14.192 2.858 -2.762 325 HD13 LEU 40 HD13 LEU 40 -13.722 4.455 -2.192 326 HD21 LEU 40 HD21 LEU 40 -16.621 3.899 -2.192 327 HD22 LEU 40 HD22 LEU 40 -16.398 2.692 -3.449 328 HD23 LEU 40 HD23 LEU 40 -17.343 4.142 -3.773 329 H HIS 41 HN HIS 41 -18.302 8.427 -3.212 330 HA HIS 41 HA HIS 41 -16.835 10.610 -4.434 331 HB2 HIS 41 HB2 HIS 41 -19.501 10.607 -3.000 332 HB3 HIS 41 HB1 HIS 41 -18.809 11.974 -3.865 333 HD1 HIS 41 HD1 HIS 41 -18.575 11.704 -6.494 334 HD2 HIS 41 HD2 HIS 41 -20.929 8.803 -4.633 335 HE1 HIS 41 HE1 HIS 41 -19.907 10.619 -8.326 336 HE2 HIS 41 HE2 HIS 41 -21.373 8.934 -7.170 337 H ASP 42 HN ASP 42 -16.477 9.112 -1.616 338 HA ASP 42 HA ASP 42 -15.844 11.592 -0.163 339 HB2 ASP 42 HB2 ASP 42 -16.364 10.183 1.928 340 HB3 ASP 42 HB1 ASP 42 -17.721 10.770 0.971 341 H TYR 43 HN TYR 43 -14.143 9.601 -1.786 342 HA TYR 43 HA TYR 43 -12.688 8.036 0.059 343 HB2 TYR 43 HB2 TYR 43 -12.721 7.442 -2.281 344 HB3 TYR 43 HB1 TYR 43 -11.997 8.973 -2.735 345 HD1 TYR 43 HD1 TYR 43 -11.370 5.729 -1.110 346 HD2 TYR 43 HD2 TYR 43 -9.630 9.274 -2.677 347 HE1 TYR 43 HE1 TYR 43 -9.151 4.679 -1.002 348 HE2 TYR 43 HE2 TYR 43 -7.413 8.234 -2.580 349 HH TYR 43 HH TYR 43 -6.930 4.920 -2.040 350 H HIS 44 HN HIS 44 -12.151 11.254 -1.281 351 HA HIS 44 HA HIS 44 -9.554 11.507 -0.074 352 HB2 HIS 44 HB2 HIS 44 -11.333 13.364 -1.615 353 HB3 HIS 44 HB1 HIS 44 -9.921 13.988 -0.767 354 HD1 HIS 44 HD1 HIS 44 -7.843 14.002 -2.092 355 HD2 HIS 44 HD2 HIS 44 -10.534 11.156 -3.484 356 HE1 HIS 44 HE1 HIS 44 -6.774 12.998 -4.132 357 HE2 HIS 44 HE2 HIS 44 -8.346 11.177 -4.867 358 H ASP 45 HN ASP 45 -12.696 11.815 1.095 359 HA ASP 45 HA ASP 45 -12.063 13.803 3.107 360 HB2 ASP 45 HB2 ASP 45 -14.494 12.076 2.631 361 HB3 ASP 45 HB1 ASP 45 -14.340 13.140 4.023 362 H ILE 46 HN ILE 46 -12.540 10.322 2.891 363 HA ILE 46 HA ILE 46 -12.110 9.928 5.715 364 HB ILE 46 HB ILE 46 -12.572 8.071 3.402 365 HG12 ILE 46 HG12 ILE 46 -14.458 7.331 4.875 366 HG13 ILE 46 HG11 ILE 46 -14.046 8.640 5.977 367 HG21 ILE 46 HG21 ILE 46 -11.155 6.644 4.453 368 HG22 ILE 46 HG22 ILE 46 -12.621 6.298 5.366 369 HG23 ILE 46 HG23 ILE 46 -11.401 7.383 6.033 370 HD11 ILE 46 HD11 ILE 46 -14.900 8.970 3.107 371 HD12 ILE 46 HD12 ILE 46 -14.537 10.267 4.248 372 HD13 ILE 46 HD13 ILE 46 -15.920 9.209 4.526 373 H ILE 47 HN ILE 47 -10.288 9.383 2.728 374 HA ILE 47 HA ILE 47 -8.014 8.369 4.227 375 HB ILE 47 HB ILE 47 -8.240 8.862 1.265 376 HG12 ILE 47 HG12 ILE 47 -9.894 7.195 2.234 377 HG13 ILE 47 HG11 ILE 47 -8.830 6.581 0.974 378 HG21 ILE 47 HG21 ILE 47 -6.366 7.132 1.277 379 HG22 ILE 47 HG22 ILE 47 -6.225 7.476 2.996 380 HG23 ILE 47 HG23 ILE 47 -5.968 8.759 1.816 381 HD11 ILE 47 HD11 ILE 47 -8.558 6.151 3.933 382 HD12 ILE 47 HD12 ILE 47 -7.401 5.614 2.716 383 HD13 ILE 47 HD13 ILE 47 -9.030 4.965 2.718 384 H LYS 48 HN LYS 48 -6.782 9.859 5.210 385 HA LYS 48 HA LYS 48 -6.427 12.465 3.977 386 HB2 LYS 48 HB2 LYS 48 -5.666 11.360 6.667 387 HB3 LYS 48 HB1 LYS 48 -5.167 12.950 6.114 388 HG2 LYS 48 HG2 LYS 48 -8.021 12.028 6.327 389 HG3 LYS 48 HG1 LYS 48 -7.182 13.001 7.534 390 HD2 LYS 48 HD2 LYS 48 -7.050 14.858 6.111 391 HD3 LYS 48 HD1 LYS 48 -7.364 13.885 4.676 392 HE2 LYS 48 HE2 LYS 48 -9.290 15.247 5.275 393 HE3 LYS 48 HE1 LYS 48 -9.624 13.522 5.355 394 HZ1 LYS 48 HZ1 LYS 48 -9.312 13.644 7.777 395 HZ2 LYS 48 HZ2 LYS 48 -10.575 14.635 7.249 396 HZ3 LYS 48 HZ3 LYS 48 -9.085 15.318 7.659 397 H HIS 49 HN HIS 49 -4.651 9.530 4.487 398 HA HIS 49 HA HIS 49 -2.369 10.761 3.078 399 HB2 HIS 49 HB2 HIS 49 -2.366 8.538 5.119 400 HB3 HIS 49 HB1 HIS 49 -0.985 8.908 4.093 401 HD1 HIS 49 HD1 HIS 49 0.475 10.876 4.754 402 HD2 HIS 49 HD2 HIS 49 -2.972 10.541 7.055 403 HE1 HIS 49 HE1 HIS 49 0.765 12.504 6.649 404 HE2 HIS 49 HE2 HIS 49 -1.420 12.420 7.910 405 HA PRO 50 HA PRO 50 -4.171 7.436 0.305 406 HB2 PRO 50 HB2 PRO 50 -4.189 8.984 -1.936 407 HB3 PRO 50 HB1 PRO 50 -5.557 8.882 -0.822 408 HG2 PRO 50 HG2 PRO 50 -3.424 10.976 -1.018 409 HG3 PRO 50 HG1 PRO 50 -5.175 11.170 -0.790 410 HD2 PRO 50 HD2 PRO 50 -3.441 11.351 1.271 411 HD3 PRO 50 HD1 PRO 50 -5.071 10.668 1.463 412 H MET 51 HN MET 51 -2.297 6.262 0.339 413 HA MET 51 HA MET 51 -0.205 7.160 -1.513 414 HB2 MET 51 HB2 MET 51 0.697 7.417 0.702 415 HB3 MET 51 HB1 MET 51 0.159 5.812 1.181 416 HG2 MET 51 HG2 MET 51 2.598 5.958 0.741 417 HG3 MET 51 HG1 MET 51 1.774 4.786 -0.293 418 HE1 MET 51 HE1 MET 51 3.015 8.439 -0.047 419 HE2 MET 51 HE2 MET 51 1.512 8.710 -0.920 420 HE3 MET 51 HE3 MET 51 3.061 8.975 -1.723 421 H ASP 52 HN ASP 52 0.780 5.597 -2.725 422 HA ASP 52 HA ASP 52 -0.323 2.886 -2.649 423 HB2 ASP 52 HB2 ASP 52 -0.117 4.514 -5.206 424 HB3 ASP 52 HB1 ASP 52 -0.754 2.875 -5.046 425 H LEU 53 HN LEU 53 1.077 1.339 -3.852 426 HA LEU 53 HA LEU 53 3.749 1.737 -3.128 427 HB2 LEU 53 HB2 LEU 53 2.389 -0.272 -4.868 428 HB3 LEU 53 HB1 LEU 53 4.133 -0.271 -4.703 429 HG LEU 53 HG LEU 53 2.260 -0.415 -2.357 430 HD11 LEU 53 HD11 LEU 53 2.023 -2.308 -3.943 431 HD12 LEU 53 HD12 LEU 53 2.556 -2.772 -2.331 432 HD13 LEU 53 HD13 LEU 53 3.714 -2.696 -3.662 433 HD21 LEU 53 HD21 LEU 53 4.433 0.364 -1.761 434 HD22 LEU 53 HD22 LEU 53 5.204 -0.934 -2.669 435 HD23 LEU 53 HD23 LEU 53 4.267 -1.302 -1.221 436 H SER 54 HN SER 54 2.174 2.173 -6.254 437 HA SER 54 HA SER 54 4.466 2.675 -7.797 438 HB2 SER 54 HB2 SER 54 2.884 3.949 -9.282 439 HB3 SER 54 HB1 SER 54 2.300 2.338 -8.865 440 HG SER 54 HG SER 54 0.700 3.179 -7.800 441 H THR 55 HN THR 55 2.607 4.756 -5.650 442 HA THR 55 HA THR 55 3.940 7.178 -6.433 443 HB THR 55 HB THR 55 2.407 6.857 -3.875 444 HG1 THR 55 HG1 THR 55 0.498 7.191 -5.119 445 HG21 THR 55 HG21 THR 55 3.580 8.974 -4.466 446 HG22 THR 55 HG22 THR 55 1.838 9.152 -4.254 447 HG23 THR 55 HG23 THR 55 2.531 9.108 -5.877 448 H VAL 56 HN VAL 56 4.226 4.812 -3.839 449 HA VAL 56 HA VAL 56 6.129 6.150 -2.266 450 HB VAL 56 HB VAL 56 5.855 3.173 -2.757 451 HG11 VAL 56 HG11 VAL 56 8.070 3.785 -1.874 452 HG12 VAL 56 HG12 VAL 56 7.116 2.876 -0.696 453 HG13 VAL 56 HG13 VAL 56 7.288 4.624 -0.531 454 HG21 VAL 56 HG21 VAL 56 3.855 4.305 -1.802 455 HG22 VAL 56 HG22 VAL 56 4.852 4.820 -0.444 456 HG23 VAL 56 HG23 VAL 56 4.574 3.103 -0.730 457 H LYS 57 HN LYS 57 6.447 3.947 -5.003 458 HA LYS 57 HA LYS 57 9.256 3.965 -5.128 459 HB2 LYS 57 HB2 LYS 57 7.198 2.651 -6.401 460 HB3 LYS 57 HB1 LYS 57 7.887 3.635 -7.683 461 HG2 LYS 57 HG2 LYS 57 10.003 2.639 -7.437 462 HG3 LYS 57 HG1 LYS 57 9.567 1.885 -5.931 463 HD2 LYS 57 HD2 LYS 57 8.036 0.415 -7.029 464 HD3 LYS 57 HD1 LYS 57 8.280 1.226 -8.565 465 HE2 LYS 57 HE2 LYS 57 10.758 0.615 -8.249 466 HE3 LYS 57 HE1 LYS 57 10.179 -0.478 -6.991 467 HZ1 LYS 57 HZ1 LYS 57 9.356 -0.537 -9.843 468 HZ2 LYS 57 HZ2 LYS 57 8.820 -1.598 -8.644 469 HZ3 LYS 57 HZ3 LYS 57 10.443 -1.602 -9.111 470 H ARG 58 HN ARG 58 6.762 5.892 -6.666 471 HA ARG 58 HA ARG 58 8.217 7.482 -8.383 472 HB2 ARG 58 HB2 ARG 58 5.797 7.520 -8.216 473 HB3 ARG 58 HB1 ARG 58 5.888 8.193 -6.599 474 HG2 ARG 58 HG2 ARG 58 6.924 10.223 -7.527 475 HG3 ARG 58 HG1 ARG 58 6.719 9.565 -9.143 476 HD2 ARG 58 HD2 ARG 58 4.329 9.549 -8.881 477 HD3 ARG 58 HD1 ARG 58 4.485 10.020 -7.189 478 HE ARG 58 HE ARG 58 5.723 11.951 -8.826 479 HH11 ARG 58 HH11 ARG 58 2.529 10.774 -7.992 480 HH12 ARG 58 HH12 ARG 58 1.765 12.314 -8.215 481 HH21 ARG 58 HH21 ARG 58 4.710 13.981 -9.126 482 HH22 ARG 58 HH22 ARG 58 3.004 14.136 -8.859 483 H LYS 59 HN LYS 59 7.526 8.088 -4.954 484 HA LYS 59 HA LYS 59 9.121 10.469 -4.883 485 HB2 LYS 59 HB2 LYS 59 7.845 8.843 -2.674 486 HB3 LYS 59 HB1 LYS 59 8.604 10.418 -2.456 487 HG2 LYS 59 HG2 LYS 59 6.953 11.526 -3.668 488 HG3 LYS 59 HG1 LYS 59 6.386 10.042 -4.427 489 HD2 LYS 59 HD2 LYS 59 4.818 10.891 -2.725 490 HD3 LYS 59 HD1 LYS 59 5.430 9.286 -2.333 491 HE2 LYS 59 HE2 LYS 59 6.958 11.558 -1.226 492 HE3 LYS 59 HE1 LYS 59 5.332 11.336 -0.578 493 HZ1 LYS 59 HZ1 LYS 59 5.860 9.157 0.136 494 HZ2 LYS 59 HZ2 LYS 59 7.152 10.138 0.626 495 HZ3 LYS 59 HZ3 LYS 59 7.316 9.140 -0.727 496 H MET 60 HN MET 60 9.640 7.089 -4.095 497 HA MET 60 HA MET 60 12.194 7.353 -2.925 498 HB2 MET 60 HB2 MET 60 10.979 5.211 -2.912 499 HB3 MET 60 HB1 MET 60 11.141 5.103 -4.659 500 HG2 MET 60 HG2 MET 60 13.680 5.230 -4.192 501 HG3 MET 60 HG1 MET 60 13.228 4.796 -2.547 502 HE1 MET 60 HE1 MET 60 11.735 2.722 -1.989 503 HE2 MET 60 HE2 MET 60 11.391 1.393 -3.096 504 HE3 MET 60 HE3 MET 60 10.589 2.950 -3.309 505 H GLU 61 HN GLU 61 11.130 7.140 -6.305 506 HA GLU 61 HA GLU 61 13.723 7.042 -7.438 507 HB2 GLU 61 HB2 GLU 61 11.049 7.892 -8.531 508 HB3 GLU 61 HB1 GLU 61 12.507 7.947 -9.505 509 HG2 GLU 61 HG2 GLU 61 12.814 5.522 -9.095 510 HG3 GLU 61 HG1 GLU 61 11.273 5.512 -8.239 511 H ASN 62 HN ASN 62 11.734 9.654 -6.305 512 HA ASN 62 HA ASN 62 13.449 11.704 -7.416 513 HB2 ASN 62 HB2 ASN 62 11.092 11.770 -5.536 514 HB3 ASN 62 HB1 ASN 62 12.071 13.201 -5.830 515 HD21 ASN 62 HD21 ASN 62 11.398 10.804 -8.296 516 HD22 ASN 62 HD22 ASN 62 10.386 11.817 -9.262 517 H ARG 63 HN ARG 63 13.739 9.535 -5.045 518 HA ARG 63 HA ARG 63 15.132 9.183 -3.322 519 HB2 ARG 63 HB2 ARG 63 16.651 11.535 -4.455 520 HB3 ARG 63 HB1 ARG 63 17.298 10.269 -3.421 521 HG2 ARG 63 HG2 ARG 63 16.146 9.771 -6.155 522 HG3 ARG 63 HG1 ARG 63 17.862 10.037 -5.822 523 HD2 ARG 63 HD2 ARG 63 18.066 8.060 -4.604 524 HD3 ARG 63 HD1 ARG 63 16.326 7.883 -4.401 525 HE ARG 63 HE ARG 63 16.200 6.920 -6.489 526 HH11 ARG 63 HH11 ARG 63 19.410 8.274 -6.026 527 HH12 ARG 63 HH12 ARG 63 20.052 7.531 -7.459 528 HH21 ARG 63 HH21 ARG 63 17.056 5.953 -8.354 529 HH22 ARG 63 HH22 ARG 63 18.723 6.204 -8.771 530 H ASP 64 HN ASP 64 12.883 10.923 -2.893 531 HA ASP 64 HA ASP 64 13.689 13.000 -1.089 532 HB2 ASP 64 HB2 ASP 64 11.057 11.640 -1.630 533 HB3 ASP 64 HB1 ASP 64 11.235 12.806 -0.324 534 H TYR 65 HN TYR 65 13.386 9.634 -0.867 535 HA TYR 65 HA TYR 65 12.926 9.519 1.985 536 HB2 TYR 65 HB2 TYR 65 13.691 7.350 0.010 537 HB3 TYR 65 HB1 TYR 65 13.245 7.079 1.689 538 HD1 TYR 65 HD1 TYR 65 11.468 5.549 1.067 539 HD2 TYR 65 HD2 TYR 65 11.455 9.557 -0.343 540 HE1 TYR 65 HE1 TYR 65 9.119 5.304 0.382 541 HE2 TYR 65 HE2 TYR 65 9.118 9.313 -1.023 542 HH TYR 65 HH TYR 65 7.170 6.713 -0.044 543 H ARG 66 HN ARG 66 14.491 9.444 3.522 544 HA ARG 66 HA ARG 66 17.269 9.435 2.652 545 HB2 ARG 66 HB2 ARG 66 16.672 11.064 4.337 546 HB3 ARG 66 HB1 ARG 66 15.979 9.810 5.361 547 HG2 ARG 66 HG2 ARG 66 18.206 8.836 5.672 548 HG3 ARG 66 HG1 ARG 66 18.897 10.095 4.647 549 HD2 ARG 66 HD2 ARG 66 18.194 11.795 6.232 550 HD3 ARG 66 HD1 ARG 66 17.427 10.566 7.237 551 HE ARG 66 HE ARG 66 20.213 10.066 6.770 552 HH11 ARG 66 HH11 ARG 66 17.935 11.798 8.783 553 HH12 ARG 66 HH12 ARG 66 19.030 11.929 10.123 554 HH21 ARG 66 HH21 ARG 66 21.646 10.219 8.546 555 HH22 ARG 66 HH22 ARG 66 21.137 11.036 9.987 556 H ASP 67 HN ASP 67 14.966 7.355 4.258 557 HA ASP 67 HA ASP 67 16.951 5.222 4.337 558 HB2 ASP 67 HB2 ASP 67 15.485 6.261 6.766 559 HB3 ASP 67 HB1 ASP 67 16.182 4.647 6.698 560 H ALA 68 HN ALA 68 15.870 3.140 5.035 561 HA ALA 68 HA ALA 68 13.605 2.743 3.353 562 HB1 ALA 68 HB1 ALA 68 14.892 0.870 5.324 563 HB2 ALA 68 HB2 ALA 68 15.309 1.020 3.617 564 HB3 ALA 68 HB3 ALA 68 13.719 0.417 4.087 565 H GLN 69 HN GLN 69 14.042 3.622 6.595 566 HA GLN 69 HA GLN 69 11.615 2.634 7.663 567 HB2 GLN 69 HB2 GLN 69 13.555 3.396 9.045 568 HB3 GLN 69 HB1 GLN 69 13.184 5.050 8.576 569 HG2 GLN 69 HG2 GLN 69 12.230 4.783 10.691 570 HG3 GLN 69 HG1 GLN 69 10.897 4.669 9.546 571 HE21 GLN 69 HE21 GLN 69 11.149 3.668 12.286 572 HE22 GLN 69 HE22 GLN 69 10.844 1.971 12.196 573 H GLU 70 HN GLU 70 12.577 5.611 6.038 574 HA GLU 70 HA GLU 70 10.083 6.921 6.251 575 HB2 GLU 70 HB2 GLU 70 12.402 7.244 4.360 576 HB3 GLU 70 HB1 GLU 70 10.924 8.181 4.189 577 HG2 GLU 70 HG2 GLU 70 11.305 8.850 6.633 578 HG3 GLU 70 HG1 GLU 70 12.945 8.251 6.386 579 H PHE 71 HN PHE 71 11.484 4.686 3.946 580 HA PHE 71 HA PHE 71 9.325 4.619 2.141 581 HB2 PHE 71 HB2 PHE 71 11.172 3.521 1.288 582 HB3 PHE 71 HB1 PHE 71 11.557 2.746 2.814 583 HD1 PHE 71 HD1 PHE 71 9.421 2.627 -0.151 584 HD2 PHE 71 HD2 PHE 71 10.599 0.610 3.391 585 HE1 PHE 71 HE1 PHE 71 8.315 0.581 -0.956 586 HE2 PHE 71 HE2 PHE 71 9.489 -1.436 2.603 587 HZ PHE 71 HZ PHE 71 8.350 -1.455 0.422 588 H ALA 72 HN ALA 72 10.108 2.525 4.910 589 HA ALA 72 HA ALA 72 7.842 0.959 4.911 590 HB1 ALA 72 HB1 ALA 72 9.602 1.880 7.169 591 HB2 ALA 72 HB2 ALA 72 9.642 0.340 6.311 592 HB3 ALA 72 HB3 ALA 72 8.296 0.716 7.384 593 H ALA 73 HN ALA 73 8.379 4.133 6.315 594 HA ALA 73 HA ALA 73 6.024 4.492 7.718 595 HB1 ALA 73 HB1 ALA 73 7.910 6.343 6.311 596 HB2 ALA 73 HB2 ALA 73 7.621 6.135 8.044 597 HB3 ALA 73 HB3 ALA 73 6.430 6.969 7.048 598 H ASP 74 HN ASP 74 6.700 5.111 4.287 599 HA ASP 74 HA ASP 74 4.087 6.152 3.781 600 HB2 ASP 74 HB2 ASP 74 6.607 5.841 2.343 601 HB3 ASP 74 HB1 ASP 74 5.198 5.586 1.329 602 H VAL 75 HN VAL 75 5.748 3.090 3.004 603 HA VAL 75 HA VAL 75 3.594 2.003 1.524 604 HB VAL 75 HB VAL 75 5.722 0.998 1.200 605 HG11 VAL 75 HG11 VAL 75 6.834 1.448 3.254 606 HG12 VAL 75 HG12 VAL 75 6.854 -0.298 3.004 607 HG13 VAL 75 HG13 VAL 75 5.715 0.417 4.146 608 HG21 VAL 75 HG21 VAL 75 5.296 -1.416 1.861 609 HG22 VAL 75 HG22 VAL 75 4.074 -0.623 0.859 610 HG23 VAL 75 HG23 VAL 75 3.797 -0.828 2.589 611 H ARG 76 HN ARG 76 4.452 1.811 4.957 612 HA ARG 76 HA ARG 76 2.397 -0.038 5.613 613 HB2 ARG 76 HB2 ARG 76 3.019 0.246 7.834 614 HB3 ARG 76 HB1 ARG 76 4.504 0.605 6.975 615 HG2 ARG 76 HG2 ARG 76 3.899 3.039 7.143 616 HG3 ARG 76 HG1 ARG 76 2.596 2.561 8.229 617 HD2 ARG 76 HD2 ARG 76 4.227 1.569 9.754 618 HD3 ARG 76 HD1 ARG 76 5.534 2.024 8.661 619 HE ARG 76 HE ARG 76 3.863 4.214 9.533 620 HH11 ARG 76 HH11 ARG 76 6.751 2.338 10.203 621 HH12 ARG 76 HH12 ARG 76 7.489 3.593 11.145 622 HH21 ARG 76 HH21 ARG 76 4.842 5.857 10.769 623 HH22 ARG 76 HH22 ARG 76 6.408 5.583 11.468 624 H LEU 77 HN LEU 77 2.566 3.452 5.353 625 HA LEU 77 HA LEU 77 0.092 4.071 6.564 626 HB2 LEU 77 HB2 LEU 77 2.163 5.448 5.198 627 HB3 LEU 77 HB1 LEU 77 0.653 5.866 4.415 628 HG LEU 77 HG LEU 77 1.315 6.234 7.331 629 HD11 LEU 77 HD11 LEU 77 0.986 8.109 5.025 630 HD12 LEU 77 HD12 LEU 77 2.403 7.884 6.046 631 HD13 LEU 77 HD13 LEU 77 0.949 8.637 6.703 632 HD21 LEU 77 HD21 LEU 77 -1.235 6.549 5.794 633 HD22 LEU 77 HD22 LEU 77 -0.920 7.494 7.248 634 HD23 LEU 77 HD23 LEU 77 -0.968 5.732 7.334 635 H MET 78 HN MET 78 0.990 3.059 3.335 636 HA MET 78 HA MET 78 -1.501 3.467 2.098 637 HB2 MET 78 HB2 MET 78 0.390 3.063 0.710 638 HB3 MET 78 HB1 MET 78 0.747 1.545 1.521 639 HG2 MET 78 HG2 MET 78 -1.887 1.789 0.180 640 HG3 MET 78 HG1 MET 78 -0.448 1.651 -0.841 641 HE1 MET 78 HE1 MET 78 1.536 -0.177 0.649 642 HE2 MET 78 HE2 MET 78 1.052 -0.418 -1.025 643 HE3 MET 78 HE3 MET 78 1.035 -1.775 0.096 644 H PHE 79 HN PHE 79 -0.134 0.502 3.569 645 HA PHE 79 HA PHE 79 -2.454 -1.038 3.397 646 HB2 PHE 79 HB2 PHE 79 -0.322 -1.146 5.533 647 HB3 PHE 79 HB1 PHE 79 -1.550 -2.378 5.258 648 HD1 PHE 79 HD1 PHE 79 -1.618 -2.936 2.515 649 HD2 PHE 79 HD2 PHE 79 1.740 -1.823 4.875 650 HE1 PHE 79 HE1 PHE 79 -0.124 -4.064 0.918 651 HE2 PHE 79 HE2 PHE 79 3.232 -2.948 3.291 652 HZ PHE 79 HZ PHE 79 2.321 -4.060 1.299 653 H SER 80 HN SER 80 -1.506 1.407 5.710 654 HA SER 80 HA SER 80 -3.452 0.834 7.674 655 HB2 SER 80 HB2 SER 80 -1.943 3.394 7.117 656 HB3 SER 80 HB1 SER 80 -2.882 3.068 8.573 657 HG SER 80 HG SER 80 -0.597 1.639 7.665 658 H ASN 81 HN ASN 81 -3.422 3.220 4.990 659 HA ASN 81 HA ASN 81 -5.924 4.324 5.738 660 HB2 ASN 81 HB2 ASN 81 -5.922 5.555 3.687 661 HB3 ASN 81 HB1 ASN 81 -4.265 5.496 4.262 662 HD21 ASN 81 HD21 ASN 81 -2.743 4.790 2.936 663 HD22 ASN 81 HD22 ASN 81 -3.026 4.057 1.393 664 H CYS 82 HN CYS 82 -5.057 1.522 3.891 665 HA CYS 82 HA CYS 82 -7.603 1.098 2.690 666 HB2 CYS 82 HB2 CYS 82 -5.806 -0.221 1.791 667 HB3 CYS 82 HB1 CYS 82 -5.429 -0.907 3.377 668 HG CYS 82 HG CYS 82 -6.544 -3.034 2.274 669 H TYR 83 HN TYR 83 -6.202 -0.094 5.760 670 HA TYR 83 HA TYR 83 -8.554 -1.442 6.601 671 HB2 TYR 83 HB2 TYR 83 -6.364 -0.213 8.295 672 HB3 TYR 83 HB1 TYR 83 -7.641 -1.268 8.897 673 HD1 TYR 83 HD1 TYR 83 -7.627 -3.333 6.701 674 HD2 TYR 83 HD2 TYR 83 -4.409 -1.453 8.786 675 HE1 TYR 83 HE1 TYR 83 -6.218 -5.316 6.329 676 HE2 TYR 83 HE2 TYR 83 -3.020 -3.434 8.415 677 HH TYR 83 HH TYR 83 -3.297 -5.829 7.957 678 H LYS 84 HN LYS 84 -7.646 1.858 6.505 679 HA LYS 84 HA LYS 84 -9.361 2.766 8.603 680 HB2 LYS 84 HB2 LYS 84 -7.234 3.822 7.213 681 HB3 LYS 84 HB1 LYS 84 -8.588 4.749 6.581 682 HG2 LYS 84 HG2 LYS 84 -7.865 4.439 9.497 683 HG3 LYS 84 HG1 LYS 84 -7.509 5.843 8.496 684 HD2 LYS 84 HD2 LYS 84 -10.305 4.832 8.969 685 HD3 LYS 84 HD1 LYS 84 -9.527 6.028 10.008 686 HE2 LYS 84 HE2 LYS 84 -9.960 6.319 7.038 687 HE3 LYS 84 HE1 LYS 84 -10.971 7.047 8.286 688 HZ1 LYS 84 HZ1 LYS 84 -9.338 8.608 7.409 689 HZ2 LYS 84 HZ2 LYS 84 -8.078 7.587 7.887 690 HZ3 LYS 84 HZ3 LYS 84 -9.068 8.308 9.055 691 H TYR 85 HN TYR 85 -9.546 2.663 5.066 692 HA TYR 85 HA TYR 85 -12.143 3.928 5.057 693 HB2 TYR 85 HB2 TYR 85 -10.574 4.301 3.222 694 HB3 TYR 85 HB1 TYR 85 -10.617 2.595 2.808 695 HD1 TYR 85 HD1 TYR 85 -12.614 5.669 3.037 696 HD2 TYR 85 HD2 TYR 85 -12.411 1.760 1.372 697 HE1 TYR 85 HE1 TYR 85 -14.550 6.178 1.608 698 HE2 TYR 85 HE2 TYR 85 -14.344 2.271 -0.054 699 HH TYR 85 HH TYR 85 -15.714 5.507 -0.193 700 H ASN 86 HN ASN 86 -10.870 0.704 4.293 701 HA ASN 86 HA ASN 86 -13.549 -0.322 3.866 702 HB2 ASN 86 HB2 ASN 86 -10.892 -1.780 3.792 703 HB3 ASN 86 HB1 ASN 86 -12.433 -2.388 3.189 704 HD21 ASN 86 HD21 ASN 86 -9.792 -0.221 2.642 705 HD22 ASN 86 HD22 ASN 86 -10.179 0.166 1.001 706 HA PRO 87 HA PRO 87 -13.968 -1.700 8.092 707 HB2 PRO 87 HB2 PRO 87 -15.990 -3.511 7.584 708 HB3 PRO 87 HB1 PRO 87 -16.232 -1.788 7.875 709 HG2 PRO 87 HG2 PRO 87 -16.193 -3.294 5.310 710 HG3 PRO 87 HG1 PRO 87 -17.174 -1.896 5.786 711 HD2 PRO 87 HD2 PRO 87 -15.015 -1.707 4.149 712 HD3 PRO 87 HD1 PRO 87 -15.530 -0.396 5.228 713 HA PRO 88 HA PRO 88 -11.361 -5.018 8.746 714 HB2 PRO 88 HB2 PRO 88 -12.863 -6.672 10.435 715 HB3 PRO 88 HB1 PRO 88 -11.835 -5.324 10.923 716 HG2 PRO 88 HG2 PRO 88 -14.786 -5.403 10.501 717 HG3 PRO 88 HG1 PRO 88 -13.844 -4.519 11.718 718 HD2 PRO 88 HD2 PRO 88 -14.873 -3.251 9.616 719 HD3 PRO 88 HD1 PRO 88 -13.252 -2.840 10.214 720 H ASP 89 HN ASP 89 -14.560 -6.009 7.674 721 HA ASP 89 HA ASP 89 -13.311 -8.453 6.598 722 HB2 ASP 89 HB2 ASP 89 -15.239 -8.755 8.245 723 HB3 ASP 89 HB1 ASP 89 -16.287 -8.078 6.996 724 H HIS 90 HN HIS 90 -12.535 -7.046 4.890 725 HA HIS 90 HA HIS 90 -14.439 -7.077 2.678 726 HB2 HIS 90 HB2 HIS 90 -14.130 -4.680 3.778 727 HB3 HIS 90 HB1 HIS 90 -12.610 -4.702 2.906 728 HD1 HIS 90 HD1 HIS 90 -12.712 -4.691 0.304 729 HD2 HIS 90 HD2 HIS 90 -16.413 -4.234 2.113 730 HE1 HIS 90 HE1 HIS 90 -14.244 -3.872 -1.495 731 HE2 HIS 90 HE2 HIS 90 -16.397 -3.369 -0.307 732 H ASP 91 HN ASP 91 -13.308 -7.168 0.582 733 HA ASP 91 HA ASP 91 -11.227 -8.997 0.653 734 HB2 ASP 91 HB2 ASP 91 -12.030 -7.154 -1.597 735 HB3 ASP 91 HB1 ASP 91 -10.941 -8.529 -1.774 736 H VAL 92 HN VAL 92 -11.020 -5.488 0.311 737 HA VAL 92 HA VAL 92 -8.310 -5.472 -0.494 738 HB VAL 92 HB VAL 92 -9.107 -3.016 0.825 739 HG11 VAL 92 HG11 VAL 92 -7.259 -3.263 -0.762 740 HG12 VAL 92 HG12 VAL 92 -8.430 -2.052 -1.280 741 HG13 VAL 92 HG13 VAL 92 -8.416 -3.649 -2.028 742 HG21 VAL 92 HG21 VAL 92 -11.345 -3.710 0.255 743 HG22 VAL 92 HG22 VAL 92 -10.848 -4.061 -1.398 744 HG23 VAL 92 HG23 VAL 92 -10.840 -2.399 -0.807 745 H VAL 93 HN VAL 93 -9.840 -5.467 2.657 746 HA VAL 93 HA VAL 93 -7.427 -4.670 3.999 747 HB VAL 93 HB VAL 93 -8.540 -5.109 6.084 748 HG11 VAL 93 HG11 VAL 93 -10.586 -3.966 4.197 749 HG12 VAL 93 HG12 VAL 93 -9.179 -3.082 4.801 750 HG13 VAL 93 HG13 VAL 93 -10.423 -3.637 5.924 751 HG21 VAL 93 HG21 VAL 93 -10.763 -6.391 4.516 752 HG22 VAL 93 HG22 VAL 93 -10.730 -6.129 6.259 753 HG23 VAL 93 HG23 VAL 93 -9.584 -7.244 5.512 754 H ALA 94 HN ALA 94 -9.019 -7.679 3.174 755 HA ALA 94 HA ALA 94 -7.270 -9.400 4.585 756 HB1 ALA 94 HB1 ALA 94 -8.883 -9.955 2.094 757 HB2 ALA 94 HB2 ALA 94 -9.451 -10.137 3.754 758 HB3 ALA 94 HB3 ALA 94 -8.153 -11.167 3.148 759 H MET 95 HN MET 95 -7.247 -8.082 1.301 760 HA MET 95 HA MET 95 -4.858 -9.417 0.511 761 HB2 MET 95 HB2 MET 95 -6.251 -6.979 -0.610 762 HB3 MET 95 HB1 MET 95 -4.826 -7.704 -1.343 763 HG2 MET 95 HG2 MET 95 -6.115 -9.837 -1.567 764 HG3 MET 95 HG1 MET 95 -7.539 -8.970 -0.987 765 HE1 MET 95 HE1 MET 95 -8.370 -6.723 -2.155 766 HE2 MET 95 HE2 MET 95 -9.274 -8.113 -2.751 767 HE3 MET 95 HE3 MET 95 -8.715 -6.878 -3.876 768 H ALA 96 HN ALA 96 -5.549 -6.281 2.004 769 HA ALA 96 HA ALA 96 -2.898 -5.270 1.883 770 HB1 ALA 96 HB1 ALA 96 -4.630 -3.705 2.353 771 HB2 ALA 96 HB2 ALA 96 -3.648 -3.822 3.813 772 HB3 ALA 96 HB3 ALA 96 -5.198 -4.655 3.728 773 H ARG 97 HN ARG 97 -4.597 -7.412 4.007 774 HA ARG 97 HA ARG 97 -2.780 -7.375 6.175 775 HB2 ARG 97 HB2 ARG 97 -5.211 -8.124 6.165 776 HB3 ARG 97 HB1 ARG 97 -4.648 -9.622 5.439 777 HG2 ARG 97 HG2 ARG 97 -3.254 -10.051 7.391 778 HG3 ARG 97 HG1 ARG 97 -3.805 -8.536 8.112 779 HD2 ARG 97 HD2 ARG 97 -6.120 -9.380 8.034 780 HD3 ARG 97 HD1 ARG 97 -5.516 -10.914 7.409 781 HE ARG 97 HE ARG 97 -4.117 -10.632 9.686 782 HH11 ARG 97 HH11 ARG 97 -7.532 -10.383 8.968 783 HH12 ARG 97 HH12 ARG 97 -8.029 -10.882 10.553 784 HH21 ARG 97 HH21 ARG 97 -4.763 -11.299 11.767 785 HH22 ARG 97 HH22 ARG 97 -6.453 -11.413 12.147 786 H LYS 98 HN LYS 98 -3.213 -9.574 3.416 787 HA LYS 98 HA LYS 98 -1.156 -11.358 4.259 788 HB2 LYS 98 HB2 LYS 98 -2.987 -12.072 2.788 789 HB3 LYS 98 HB1 LYS 98 -2.382 -11.018 1.519 790 HG2 LYS 98 HG2 LYS 98 -0.297 -12.322 1.457 791 HG3 LYS 98 HG1 LYS 98 -0.939 -13.377 2.708 792 HD2 LYS 98 HD2 LYS 98 -2.725 -14.086 1.236 793 HD3 LYS 98 HD1 LYS 98 -2.173 -12.963 -0.008 794 HE2 LYS 98 HE2 LYS 98 -0.165 -14.152 -0.329 795 HE3 LYS 98 HE1 LYS 98 -0.418 -15.128 1.116 796 HZ1 LYS 98 HZ1 LYS 98 -2.075 -15.234 -1.346 797 HZ2 LYS 98 HZ2 LYS 98 -2.298 -16.181 0.034 798 HZ3 LYS 98 HZ3 LYS 98 -0.905 -16.368 -0.901 799 H LEU 99 HN LEU 99 -1.264 -8.726 1.888 800 HA LEU 99 HA LEU 99 1.443 -8.850 1.148 801 HB2 LEU 99 HB2 LEU 99 -0.706 -6.837 0.946 802 HB3 LEU 99 HB1 LEU 99 0.923 -6.232 0.879 803 HG LEU 99 HG LEU 99 -0.625 -7.579 -1.174 804 HD11 LEU 99 HD11 LEU 99 2.005 -6.180 -1.336 805 HD12 LEU 99 HD12 LEU 99 0.475 -5.318 -1.194 806 HD13 LEU 99 HD13 LEU 99 0.787 -6.342 -2.597 807 HD21 LEU 99 HD21 LEU 99 2.260 -8.386 -0.976 808 HD22 LEU 99 HD22 LEU 99 1.051 -8.930 -2.137 809 HD23 LEU 99 HD23 LEU 99 0.943 -9.446 -0.457 810 H GLN 100 HN GLN 100 -0.142 -7.487 3.945 811 HA GLN 100 HA GLN 100 2.052 -6.010 4.939 812 HB2 GLN 100 HB2 GLN 100 -0.190 -5.779 5.911 813 HB3 GLN 100 HB1 GLN 100 -0.165 -7.458 6.428 814 HG2 GLN 100 HG2 GLN 100 0.244 -6.023 8.308 815 HG3 GLN 100 HG1 GLN 100 1.700 -6.949 7.946 816 HE21 GLN 100 HE21 GLN 100 0.659 -4.187 6.085 817 HE22 GLN 100 HE22 GLN 100 1.937 -3.133 6.574 818 H ASP 101 HN ASP 101 1.146 -9.401 5.127 819 HA ASP 101 HA ASP 101 3.052 -10.221 7.018 820 HB2 ASP 101 HB2 ASP 101 1.704 -11.765 4.799 821 HB3 ASP 101 HB1 ASP 101 2.715 -12.509 6.032 822 H VAL 102 HN VAL 102 3.211 -10.196 3.454 823 HA VAL 102 HA VAL 102 5.841 -11.245 3.347 824 HB VAL 102 HB VAL 102 4.677 -11.457 1.327 825 HG11 VAL 102 HG11 VAL 102 3.820 -9.484 0.061 826 HG12 VAL 102 HG12 VAL 102 4.033 -8.549 1.540 827 HG13 VAL 102 HG13 VAL 102 2.930 -9.924 1.515 828 HG21 VAL 102 HG21 VAL 102 6.103 -9.169 0.247 829 HG22 VAL 102 HG22 VAL 102 6.314 -10.894 -0.075 830 HG23 VAL 102 HG23 VAL 102 7.093 -10.159 1.326 831 H PHE 103 HN PHE 103 4.688 -7.895 2.928 832 HA PHE 103 HA PHE 103 7.153 -6.654 2.731 833 HB2 PHE 103 HB2 PHE 103 5.464 -5.231 2.205 834 HB3 PHE 103 HB1 PHE 103 4.433 -5.755 3.527 835 HD1 PHE 103 HD1 PHE 103 7.726 -4.046 3.058 836 HD2 PHE 103 HD2 PHE 103 4.030 -4.162 5.195 837 HE1 PHE 103 HE1 PHE 103 8.389 -2.047 4.327 838 HE2 PHE 103 HE2 PHE 103 4.703 -2.173 6.460 839 HZ PHE 103 HZ PHE 103 6.880 -1.111 6.030 840 H GLU 104 HN GLU 104 5.436 -7.613 5.696 841 HA GLU 104 HA GLU 104 7.085 -6.340 7.568 842 HB2 GLU 104 HB2 GLU 104 4.970 -8.215 7.534 843 HB3 GLU 104 HB1 GLU 104 6.266 -8.937 8.472 844 HG2 GLU 104 HG2 GLU 104 5.213 -6.173 8.997 845 HG3 GLU 104 HG1 GLU 104 4.568 -7.631 9.727 846 H PHE 105 HN PHE 105 7.249 -9.674 6.313 847 HA PHE 105 HA PHE 105 9.592 -10.358 7.724 848 HB2 PHE 105 HB2 PHE 105 7.968 -11.998 6.751 849 HB3 PHE 105 HB1 PHE 105 8.594 -11.606 5.153 850 HD1 PHE 105 HD1 PHE 105 9.297 -13.254 8.340 851 HD2 PHE 105 HD2 PHE 105 10.770 -12.379 4.447 852 HE1 PHE 105 HE1 PHE 105 11.059 -14.946 8.629 853 HE2 PHE 105 HE2 PHE 105 12.532 -14.068 4.729 854 HZ PHE 105 HZ PHE 105 12.679 -15.355 6.822 855 H ARG 106 HN ARG 106 9.055 -8.857 4.603 856 HA ARG 106 HA ARG 106 11.680 -9.164 3.607 857 HB2 ARG 106 HB2 ARG 106 9.640 -7.019 2.999 858 HB3 ARG 106 HB1 ARG 106 11.093 -7.329 2.069 859 HG2 ARG 106 HG2 ARG 106 8.725 -9.145 2.391 860 HG3 ARG 106 HG1 ARG 106 9.211 -8.270 0.939 861 HD2 ARG 106 HD2 ARG 106 11.232 -9.596 0.779 862 HD3 ARG 106 HD1 ARG 106 10.831 -10.426 2.287 863 HE ARG 106 HE ARG 106 9.318 -10.644 -0.239 864 HH11 ARG 106 HH11 ARG 106 10.357 -12.001 2.820 865 HH12 ARG 106 HH12 ARG 106 9.516 -13.495 2.583 866 HH21 ARG 106 HH21 ARG 106 8.242 -12.580 -0.561 867 HH22 ARG 106 HH22 ARG 106 8.314 -13.836 0.638 868 H TYR 107 HN TYR 107 10.096 -6.568 5.438 869 HA TYR 107 HA TYR 107 12.466 -4.982 5.543 870 HB2 TYR 107 HB2 TYR 107 10.072 -4.131 5.865 871 HB3 TYR 107 HB1 TYR 107 10.176 -4.771 7.507 872 HD1 TYR 107 HD1 TYR 107 11.120 -2.076 5.283 873 HD2 TYR 107 HD2 TYR 107 11.906 -3.856 9.063 874 HE1 TYR 107 HE1 TYR 107 12.308 -0.047 5.987 875 HE2 TYR 107 HE2 TYR 107 13.097 -1.823 9.776 876 HH TYR 107 HH TYR 107 14.366 0.074 8.574 877 H ALA 108 HN ALA 108 11.116 -7.541 7.501 878 HA ALA 108 HA ALA 108 12.745 -7.278 9.774 879 HB1 ALA 108 HB1 ALA 108 10.771 -8.744 9.659 880 HB2 ALA 108 HB2 ALA 108 12.203 -9.596 10.233 881 HB3 ALA 108 HB3 ALA 108 11.650 -9.819 8.574 882 H LYS 109 HN LYS 109 13.191 -9.201 6.817 883 HA LYS 109 HA LYS 109 15.771 -10.168 7.499 884 HB2 LYS 109 HB2 LYS 109 14.430 -11.309 5.830 885 HB3 LYS 109 HB1 LYS 109 14.394 -9.863 4.828 886 HG2 LYS 109 HG2 LYS 109 16.742 -10.061 4.352 887 HG3 LYS 109 HG1 LYS 109 16.922 -11.351 5.533 888 HD2 LYS 109 HD2 LYS 109 15.399 -11.523 2.911 889 HD3 LYS 109 HD1 LYS 109 16.956 -12.247 3.279 890 HE2 LYS 109 HE2 LYS 109 14.416 -12.908 4.754 891 HE3 LYS 109 HE1 LYS 109 15.037 -13.827 3.386 892 HZ1 LYS 109 HZ1 LYS 109 17.058 -14.257 4.656 893 HZ2 LYS 109 HZ2 LYS 109 15.691 -14.838 5.460 894 HZ3 LYS 109 HZ3 LYS 109 16.428 -13.408 5.976 895 H MET 110 HN MET 110 14.581 -7.277 6.020 896 HA MET 110 HA MET 110 17.034 -6.284 5.009 897 HB2 MET 110 HB2 MET 110 14.991 -5.354 4.181 898 HB3 MET 110 HB1 MET 110 14.439 -4.958 5.800 899 HG2 MET 110 HG2 MET 110 16.925 -3.690 4.774 900 HG3 MET 110 HG1 MET 110 15.362 -3.116 4.202 901 HE1 MET 110 HE1 MET 110 15.943 -0.741 5.097 902 HE2 MET 110 HE2 MET 110 17.491 -1.282 5.752 903 HE3 MET 110 HE3 MET 110 16.372 -0.375 6.769 904 HA PRO 111 HA PRO 111 18.592 -4.992 9.017 905 HB2 PRO 111 HB2 PRO 111 21.118 -4.524 8.271 906 HB3 PRO 111 HB1 PRO 111 20.493 -6.161 8.487 907 HG2 PRO 111 HG2 PRO 111 21.071 -4.675 5.987 908 HG3 PRO 111 HG1 PRO 111 21.145 -6.416 6.303 909 HD2 PRO 111 HD2 PRO 111 19.060 -5.006 5.014 910 HD3 PRO 111 HD1 PRO 111 19.028 -6.705 5.557 911 H ASP 112 HN ASP 112 18.928 -3.047 9.955 912 HA ASP 112 HA ASP 112 18.710 -0.692 8.218 913 HB2 ASP 112 HB2 ASP 112 18.099 -1.099 11.150 914 HB3 ASP 112 HB1 ASP 112 18.183 0.495 10.417 915 H1 HIS 281 HT1 HIS 281 -19.608 3.000 11.747 916 H2 HIS 281 HT2 HIS 281 -21.251 3.148 11.383 917 H3 HIS 281 HT3 HIS 281 -20.739 3.177 12.991 918 HA HIS 281 HA HIS 281 -21.293 5.384 12.206 919 HB2 HIS 281 HB2 HIS 281 -18.388 4.822 12.797 920 HB3 HIS 281 HB1 HIS 281 -19.028 6.455 12.678 921 HD1 HIS 281 HD1 HIS 281 -18.343 3.906 15.086 922 HD2 HIS 281 HD2 HIS 281 -21.296 6.796 14.621 923 HE1 HIS 281 HE1 HIS 281 -19.374 4.195 17.357 924 HE2 HIS 281 HE2 HIS 281 -21.051 6.056 17.082 925 H ASN 282 HN ASN 282 -21.367 6.800 10.585 926 HA ASN 282 HA ASN 282 -21.189 7.645 8.488 927 HB2 ASN 282 HB2 ASN 282 -18.309 6.874 8.971 928 HB3 ASN 282 HB1 ASN 282 -18.837 7.769 7.551 929 HD21 ASN 282 HD21 ASN 282 -17.040 8.507 9.753 930 HD22 ASN 282 HD22 ASN 282 -17.687 9.973 10.406 931 H LEU 283 HN LEU 283 -22.498 5.575 8.076 932 HA LEU 283 HA LEU 283 -21.191 3.527 6.549 933 HB2 LEU 283 HB2 LEU 283 -23.249 3.120 7.885 934 HB3 LEU 283 HB1 LEU 283 -24.140 4.148 6.780 935 HG LEU 283 HG LEU 283 -23.664 2.574 4.943 936 HD11 LEU 283 HD11 LEU 283 -22.377 0.921 7.108 937 HD12 LEU 283 HD12 LEU 283 -21.577 1.636 5.709 938 HD13 LEU 283 HD13 LEU 283 -22.759 0.348 5.486 939 HD21 LEU 283 HD21 LEU 283 -25.143 0.785 5.697 940 HD22 LEU 283 HD22 LEU 283 -25.731 2.367 6.209 941 HD23 LEU 283 HD23 LEU 283 -24.926 1.308 7.367 942 H LEU 284 HN LEU 284 -20.162 5.256 5.220 943 HA LEU 284 HA LEU 284 -21.791 6.513 3.199 944 HB2 LEU 284 HB2 LEU 284 -18.809 6.381 3.616 945 HB3 LEU 284 HB1 LEU 284 -19.582 7.299 2.337 946 HG LEU 284 HG LEU 284 -20.274 7.810 5.214 947 HD11 LEU 284 HD11 LEU 284 -17.840 7.939 5.013 948 HD12 LEU 284 HD12 LEU 284 -18.562 9.526 5.279 949 HD13 LEU 284 HD13 LEU 284 -18.014 9.065 3.667 950 HD21 LEU 284 HD21 LEU 284 -20.248 9.580 2.773 951 HD22 LEU 284 HD22 LEU 284 -20.870 9.993 4.372 952 HD23 LEU 284 HD23 LEU 284 -21.675 8.756 3.405 953 H ARG 285 HN ARG 285 -18.747 4.926 2.522 954 HA ARG 285 HA ARG 285 -20.093 3.010 0.762 955 HB2 ARG 285 HB2 ARG 285 -17.903 4.940 0.041 956 HB3 ARG 285 HB1 ARG 285 -18.111 3.436 -0.846 957 HG2 ARG 285 HG2 ARG 285 -19.248 4.978 -2.139 958 HG3 ARG 285 HG1 ARG 285 -20.536 4.240 -1.190 959 HD2 ARG 285 HD2 ARG 285 -20.402 6.130 0.395 960 HD3 ARG 285 HD1 ARG 285 -19.186 6.879 -0.639 961 HE ARG 285 HE ARG 285 -21.612 6.245 -2.028 962 HH11 ARG 285 HH11 ARG 285 -19.996 8.649 -0.038 963 HH12 ARG 285 HH12 ARG 285 -21.046 9.944 -0.555 964 HH21 ARG 285 HH21 ARG 285 -22.959 7.939 -2.715 965 HH22 ARG 285 HH22 ARG 285 -22.727 9.536 -2.080 966 H ILE 286 HN ILE 286 -18.521 1.273 0.043 967 HA ILE 286 HA ILE 286 -16.504 0.758 2.132 968 HB ILE 286 HB ILE 286 -17.100 -1.656 2.013 969 HG12 ILE 286 HG12 ILE 286 -19.550 -0.672 0.530 970 HG13 ILE 286 HG11 ILE 286 -18.217 -1.554 -0.205 971 HG21 ILE 286 HG21 ILE 286 -17.899 -0.328 3.860 972 HG22 ILE 286 HG22 ILE 286 -19.150 -1.475 3.382 973 HG23 ILE 286 HG23 ILE 286 -19.282 0.220 2.913 974 HD11 ILE 286 HD11 ILE 286 -20.033 -2.590 1.948 975 HD12 ILE 286 HD12 ILE 286 -18.705 -3.476 1.203 976 HD13 ILE 286 HD13 ILE 286 -20.105 -3.008 0.237 977 HH31 ALY 287 HH1 ALY 287 -6.923 1.268 -1.334 978 HH32 ALY 287 HH2 ALY 287 -6.852 2.480 -0.051 979 HH33 ALY 287 HH3 ALY 287 -7.001 0.771 0.358 980 HZ ALY 287 HZ1 ALY 287 -8.965 0.616 -2.067 981 HE3 ALY 287 HE2 ALY 287 -11.207 2.131 -1.876 982 HE2 ALY 287 HE1 ALY 287 -11.384 0.954 -0.574 983 HD3 ALY 287 HD2 ALY 287 -11.297 -0.867 -2.105 984 HD2 ALY 287 HD1 ALY 287 -10.822 0.191 -3.433 985 HG3 ALY 287 HG2 ALY 287 -13.164 -0.451 -3.604 986 HG2 ALY 287 HG1 ALY 287 -12.989 1.286 -3.365 987 HB3 ALY 287 HB2 ALY 287 -13.458 0.956 -0.962 988 HB2 ALY 287 HB1 ALY 287 -13.740 -0.748 -1.281 989 HCA ALY 287 HA ALY 287 -15.282 1.424 -2.655 990 H ALY 287 HN ALY 287 -16.581 1.632 -0.808 991 H GLN 288 HN GLN 288 -15.718 0.478 -4.535 992 HA GLN 288 HA GLN 288 -17.285 -1.943 -4.540 993 HB2 GLN 288 HB2 GLN 288 -17.676 0.111 -6.011 994 HB3 GLN 288 HB1 GLN 288 -16.293 -0.425 -6.952 995 HG2 GLN 288 HG2 GLN 288 -18.402 -1.105 -7.965 996 HG3 GLN 288 HG1 GLN 288 -17.427 -2.495 -7.493 997 HE21 GLN 288 HE21 GLN 288 -18.137 -3.837 -5.865 998 HE22 GLN 288 HE22 GLN 288 -19.731 -3.741 -5.193 999 H PHE 289 HN PHE 289 -15.018 -2.685 -3.505 1000 HA PHE 289 HA PHE 289 -13.419 -3.946 -5.633 1001 HB2 PHE 289 HB2 PHE 289 -12.790 -2.944 -2.912 1002 HB3 PHE 289 HB1 PHE 289 -11.978 -4.420 -3.409 1003 HD1 PHE 289 HD1 PHE 289 -12.785 -1.930 -5.955 1004 HD2 PHE 289 HD2 PHE 289 -9.866 -3.295 -3.188 1005 HE1 PHE 289 HE1 PHE 289 -11.067 -0.590 -7.105 1006 HE2 PHE 289 HE2 PHE 289 -8.148 -1.963 -4.312 1007 HZ PHE 289 HZ PHE 289 -8.744 -0.604 -6.285 1008 H LEU 290 HN LEU 290 -15.491 -5.347 -5.623 1009 HA LEU 290 HA LEU 290 -15.263 -7.456 -3.594 1010 HB2 LEU 290 HB2 LEU 290 -17.409 -7.078 -5.687 1011 HB3 LEU 290 HB1 LEU 290 -17.426 -8.239 -4.378 1012 HG LEU 290 HG LEU 290 -17.587 -5.239 -4.073 1013 HD11 LEU 290 HD11 LEU 290 -19.619 -6.210 -4.994 1014 HD12 LEU 290 HD12 LEU 290 -19.873 -5.683 -3.331 1015 HD13 LEU 290 HD13 LEU 290 -19.657 -7.395 -3.691 1016 HD21 LEU 290 HD21 LEU 290 -16.427 -6.253 -2.193 1017 HD22 LEU 290 HD22 LEU 290 -17.725 -7.432 -2.007 1018 HD23 LEU 290 HD23 LEU 290 -18.037 -5.720 -1.712 1019 H GLN 291 HN GLN 291 -14.123 -9.211 -4.117 1020 HA GLN 291 HA GLN 291 -13.374 -9.674 -6.867 1021 HB2 GLN 291 HB2 GLN 291 -12.112 -11.627 -5.932 1022 HB3 GLN 291 HB1 GLN 291 -11.659 -10.068 -5.265 1023 HG2 GLN 291 HG2 GLN 291 -12.974 -10.532 -3.268 1024 HG3 GLN 291 HG1 GLN 291 -13.452 -12.090 -3.943 1025 HE21 GLN 291 HE21 GLN 291 -11.966 -11.412 -1.495 1026 HE22 GLN 291 HE22 GLN 291 -10.471 -12.286 -1.610 1027 H SER 292 HN SER 292 -15.778 -9.839 -7.278 1028 HA SER 292 HA SER 292 -17.088 -12.306 -6.660 1029 HB2 SER 292 HB2 SER 292 -17.813 -10.317 -8.821 1030 HB3 SER 292 HB1 SER 292 -18.882 -11.470 -8.021 1031 HG SER 292 HG SER 292 -18.215 -10.249 -6.022 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 25.100 6.782 -2.316 2 H2 GLY 1 HT2 GLY 1 26.385 7.876 -2.397 3 H3 GLY 1 HT3 GLY 1 26.461 6.419 -3.245 4 HA2 GLY 1 HA1 GLY 1 24.595 8.657 -3.772 5 HA3 GLY 1 HA2 GLY 1 25.974 8.201 -4.762 6 H LYS 2 HN LYS 2 23.060 8.335 -5.346 7 HA LYS 2 HA LYS 2 21.516 7.205 -6.559 8 HB2 LYS 2 HB2 LYS 2 23.745 5.212 -7.012 9 HB3 LYS 2 HB1 LYS 2 22.244 5.291 -7.920 10 HG2 LYS 2 HG2 LYS 2 24.334 7.455 -7.825 11 HG3 LYS 2 HG1 LYS 2 24.129 6.284 -9.129 12 HD2 LYS 2 HD2 LYS 2 21.878 7.151 -9.551 13 HD3 LYS 2 HD1 LYS 2 22.080 8.316 -8.242 14 HE2 LYS 2 HE2 LYS 2 22.479 9.337 -10.431 15 HE3 LYS 2 HE1 LYS 2 23.925 9.361 -9.426 16 HZ1 LYS 2 HZ1 LYS 2 23.375 7.368 -11.557 17 HZ2 LYS 2 HZ2 LYS 2 24.789 7.488 -10.637 18 HZ3 LYS 2 HZ3 LYS 2 24.382 8.713 -11.725 19 H LEU 3 HN LEU 3 20.730 6.963 -4.268 20 HA LEU 3 HA LEU 3 19.421 5.770 -2.864 21 HB2 LEU 3 HB2 LEU 3 20.079 3.528 -4.758 22 HB3 LEU 3 HB1 LEU 3 19.133 3.268 -3.302 23 HG LEU 3 HG LEU 3 18.341 5.231 -5.452 24 HD11 LEU 3 HD11 LEU 3 17.467 2.371 -5.053 25 HD12 LEU 3 HD12 LEU 3 18.396 3.001 -6.413 26 HD13 LEU 3 HD13 LEU 3 16.728 3.518 -6.168 27 HD21 LEU 3 HD21 LEU 3 17.398 5.598 -3.192 28 HD22 LEU 3 HD22 LEU 3 16.758 3.953 -3.226 29 HD23 LEU 3 HD23 LEU 3 16.175 5.148 -4.382 30 H SER 4 HN SER 4 20.166 5.656 -0.904 31 HA SER 4 HA SER 4 22.642 4.525 -0.151 32 HB2 SER 4 HB2 SER 4 21.686 6.181 1.308 33 HB3 SER 4 HB1 SER 4 20.184 5.266 1.461 34 HG SER 4 HG SER 4 21.317 4.859 3.291 35 H GLU 5 HN GLU 5 22.799 2.626 1.429 36 HA GLU 5 HA GLU 5 22.036 0.302 0.120 37 HB2 GLU 5 HB2 GLU 5 23.862 0.485 1.781 38 HB3 GLU 5 HB1 GLU 5 22.661 0.601 3.059 39 HG2 GLU 5 HG2 GLU 5 21.893 -1.629 2.605 40 HG3 GLU 5 HG1 GLU 5 22.957 -1.746 1.205 41 H GLN 6 HN GLN 6 20.539 1.850 2.922 42 HA GLN 6 HA GLN 6 18.473 -0.010 3.372 43 HB2 GLN 6 HB2 GLN 6 18.661 2.958 3.919 44 HB3 GLN 6 HB1 GLN 6 17.306 1.973 4.447 45 HG2 GLN 6 HG2 GLN 6 19.095 2.478 6.157 46 HG3 GLN 6 HG1 GLN 6 18.619 0.790 5.986 47 HE21 GLN 6 HE21 GLN 6 20.102 -0.686 5.227 48 HE22 GLN 6 HE22 GLN 6 21.782 -0.316 5.045 49 H LEU 7 HN LEU 7 18.689 2.821 1.271 50 HA LEU 7 HA LEU 7 15.944 2.698 0.464 51 HB2 LEU 7 HB2 LEU 7 18.296 4.249 -0.616 52 HB3 LEU 7 HB1 LEU 7 16.667 4.410 -1.238 53 HG LEU 7 HG LEU 7 17.458 4.974 1.609 54 HD11 LEU 7 HD11 LEU 7 18.468 6.599 0.143 55 HD12 LEU 7 HD12 LEU 7 17.106 7.336 0.979 56 HD13 LEU 7 HD13 LEU 7 16.944 6.834 -0.704 57 HD21 LEU 7 HD21 LEU 7 15.198 4.394 1.627 58 HD22 LEU 7 HD22 LEU 7 14.889 5.194 0.086 59 HD23 LEU 7 HD23 LEU 7 15.202 6.155 1.531 60 H LYS 8 HN LYS 8 18.926 1.314 -0.664 61 HA LYS 8 HA LYS 8 17.884 0.434 -3.176 62 HB2 LYS 8 HB2 LYS 8 20.298 0.596 -2.772 63 HB3 LYS 8 HB1 LYS 8 20.171 -0.620 -1.514 64 HG2 LYS 8 HG2 LYS 8 21.074 -1.538 -3.592 65 HG3 LYS 8 HG1 LYS 8 19.548 -2.296 -3.140 66 HD2 LYS 8 HD2 LYS 8 19.618 -1.844 -5.534 67 HD3 LYS 8 HD1 LYS 8 18.363 -0.882 -4.750 68 HE2 LYS 8 HE2 LYS 8 19.543 0.487 -6.344 69 HE3 LYS 8 HE1 LYS 8 19.913 1.042 -4.715 70 HZ1 LYS 8 HZ1 LYS 8 21.873 0.949 -6.148 71 HZ2 LYS 8 HZ2 LYS 8 21.661 -0.714 -6.351 72 HZ3 LYS 8 HZ3 LYS 8 22.026 -0.089 -4.822 73 H HIS 9 HN HIS 9 17.977 -0.805 0.088 74 HA HIS 9 HA HIS 9 16.902 -3.359 -0.556 75 HB2 HIS 9 HB2 HIS 9 18.090 -2.441 1.654 76 HB3 HIS 9 HB1 HIS 9 16.417 -2.181 2.136 77 HD1 HIS 9 HD1 HIS 9 18.972 -4.642 2.303 78 HD2 HIS 9 HD2 HIS 9 14.860 -4.759 1.694 79 HE1 HIS 9 HE1 HIS 9 18.279 -6.997 2.822 80 HE2 HIS 9 HE2 HIS 9 15.827 -7.090 2.269 81 H CYS 10 HN CYS 10 15.519 -0.216 0.281 82 HA CYS 10 HA CYS 10 12.859 -1.184 0.526 83 HB2 CYS 10 HB2 CYS 10 12.138 1.079 0.615 84 HB3 CYS 10 HB1 CYS 10 13.698 1.036 1.439 85 HG CYS 10 HG CYS 10 14.508 1.776 -1.547 86 H ASN 11 HN ASN 11 14.837 -0.131 -2.142 87 HA ASN 11 HA ASN 11 12.796 0.121 -4.078 88 HB2 ASN 11 HB2 ASN 11 15.115 0.962 -4.399 89 HB3 ASN 11 HB1 ASN 11 15.687 -0.699 -4.477 90 HD21 ASN 11 HD21 ASN 11 16.504 -0.413 -6.546 91 HD22 ASN 11 HD22 ASN 11 15.482 -0.306 -7.935 92 H GLY 12 HN GLY 12 14.738 -2.588 -2.940 93 HA2 GLY 12 HA2 GLY 12 13.821 -4.458 -4.891 94 HA3 GLY 12 HA1 GLY 12 14.669 -4.844 -3.400 95 H ILE 13 HN ILE 13 12.853 -3.727 -1.574 96 HA ILE 13 HA ILE 13 10.981 -5.806 -1.290 97 HB ILE 13 HB ILE 13 11.095 -3.099 0.008 98 HG12 ILE 13 HG12 ILE 13 11.835 -5.816 1.090 99 HG13 ILE 13 HG11 ILE 13 13.001 -4.674 0.438 100 HG21 ILE 13 HG21 ILE 13 9.081 -5.178 0.172 101 HG22 ILE 13 HG22 ILE 13 8.989 -3.482 0.625 102 HG23 ILE 13 HG23 ILE 13 9.693 -4.656 1.736 103 HD11 ILE 13 HD11 ILE 13 11.373 -4.493 2.936 104 HD12 ILE 13 HD12 ILE 13 12.138 -3.072 2.228 105 HD13 ILE 13 HD13 ILE 13 13.123 -4.438 2.755 106 H LEU 14 HN LEU 14 10.549 -2.418 -2.293 107 HA LEU 14 HA LEU 14 7.815 -2.476 -2.772 108 HB2 LEU 14 HB2 LEU 14 9.746 -0.593 -2.929 109 HB3 LEU 14 HB1 LEU 14 9.508 -0.919 -4.632 110 HG LEU 14 HG LEU 14 7.252 -0.219 -2.787 111 HD11 LEU 14 HD11 LEU 14 9.123 1.529 -4.343 112 HD12 LEU 14 HD12 LEU 14 8.664 1.646 -2.644 113 HD13 LEU 14 HD13 LEU 14 7.499 2.059 -3.902 114 HD21 LEU 14 HD21 LEU 14 6.751 -1.330 -4.986 115 HD22 LEU 14 HD22 LEU 14 7.503 0.063 -5.774 116 HD23 LEU 14 HD23 LEU 14 6.057 0.284 -4.792 117 H LYS 15 HN LYS 15 10.523 -3.254 -4.905 118 HA LYS 15 HA LYS 15 9.142 -3.624 -7.274 119 HB2 LYS 15 HB2 LYS 15 11.415 -3.501 -7.554 120 HB3 LYS 15 HB1 LYS 15 11.746 -4.459 -6.117 121 HG2 LYS 15 HG2 LYS 15 12.386 -5.867 -7.819 122 HG3 LYS 15 HG1 LYS 15 10.753 -6.384 -7.447 123 HD2 LYS 15 HD2 LYS 15 9.867 -5.411 -9.372 124 HD3 LYS 15 HD1 LYS 15 11.281 -4.378 -9.606 125 HE2 LYS 15 HE2 LYS 15 12.622 -6.221 -10.262 126 HE3 LYS 15 HE1 LYS 15 11.388 -7.372 -9.762 127 HZ1 LYS 15 HZ1 LYS 15 11.179 -5.448 -12.015 128 HZ2 LYS 15 HZ2 LYS 15 9.956 -6.513 -11.538 129 HZ3 LYS 15 HZ3 LYS 15 11.409 -7.115 -12.155 130 H GLU 16 HN GLU 16 9.736 -5.750 -4.589 131 HA GLU 16 HA GLU 16 8.894 -8.124 -5.911 132 HB2 GLU 16 HB2 GLU 16 10.422 -8.288 -4.028 133 HB3 GLU 16 HB1 GLU 16 9.244 -7.528 -2.965 134 HG2 GLU 16 HG2 GLU 16 7.751 -9.528 -3.436 135 HG3 GLU 16 HG1 GLU 16 9.154 -10.295 -4.153 136 H LEU 17 HN LEU 17 7.321 -5.888 -3.668 137 HA LEU 17 HA LEU 17 4.837 -7.273 -3.552 138 HB2 LEU 17 HB2 LEU 17 5.404 -4.318 -3.216 139 HB3 LEU 17 HB1 LEU 17 3.934 -5.127 -2.729 140 HG LEU 17 HG LEU 17 6.561 -5.976 -1.566 141 HD11 LEU 17 HD11 LEU 17 6.351 -3.523 -1.350 142 HD12 LEU 17 HD12 LEU 17 6.312 -4.365 0.197 143 HD13 LEU 17 HD13 LEU 17 4.816 -3.755 -0.516 144 HD21 LEU 17 HD21 LEU 17 4.622 -7.383 -1.121 145 HD22 LEU 17 HD22 LEU 17 3.715 -5.985 -0.558 146 HD23 LEU 17 HD23 LEU 17 5.119 -6.548 0.346 147 H LEU 18 HN LEU 18 6.363 -5.299 -5.907 148 HA LEU 18 HA LEU 18 3.931 -4.825 -7.433 149 HB2 LEU 18 HB2 LEU 18 6.809 -4.091 -7.881 150 HB3 LEU 18 HB1 LEU 18 5.543 -3.751 -9.037 151 HG LEU 18 HG LEU 18 5.681 -2.681 -6.226 152 HD11 LEU 18 HD11 LEU 18 7.353 -1.634 -7.491 153 HD12 LEU 18 HD12 LEU 18 5.988 -0.515 -7.482 154 HD13 LEU 18 HD13 LEU 18 6.314 -1.499 -8.909 155 HD21 LEU 18 HD21 LEU 18 3.720 -1.555 -6.592 156 HD22 LEU 18 HD22 LEU 18 3.383 -3.082 -7.396 157 HD23 LEU 18 HD23 LEU 18 3.841 -1.668 -8.342 158 H SER 19 HN SER 19 6.271 -7.233 -7.187 159 HA SER 19 HA SER 19 6.420 -8.076 -9.893 160 HB2 SER 19 HB2 SER 19 6.862 -9.654 -7.346 161 HB3 SER 19 HB1 SER 19 7.340 -10.169 -8.965 162 HG SER 19 HG SER 19 8.212 -7.662 -8.060 163 H LYS 20 HN LYS 20 5.450 -9.875 -10.882 164 HA LYS 20 HA LYS 20 2.654 -9.890 -10.658 165 HB2 LYS 20 HB2 LYS 20 4.539 -10.735 -12.513 166 HB3 LYS 20 HB1 LYS 20 3.768 -12.241 -12.024 167 HG2 LYS 20 HG2 LYS 20 2.376 -9.781 -13.109 168 HG3 LYS 20 HG1 LYS 20 2.699 -11.269 -13.996 169 HD2 LYS 20 HD2 LYS 20 1.240 -12.506 -12.501 170 HD3 LYS 20 HD1 LYS 20 0.965 -11.059 -11.536 171 HE2 LYS 20 HE2 LYS 20 -0.911 -11.502 -13.045 172 HE3 LYS 20 HE1 LYS 20 -0.128 -9.973 -13.443 173 HZ1 LYS 20 HZ1 LYS 20 1.002 -11.045 -15.265 174 HZ2 LYS 20 HZ2 LYS 20 -0.661 -11.315 -15.406 175 HZ3 LYS 20 HZ3 LYS 20 0.352 -12.550 -14.848 176 H LYS 21 HN LYS 21 5.065 -11.788 -9.119 177 HA LYS 21 HA LYS 21 3.646 -14.050 -8.345 178 HB2 LYS 21 HB2 LYS 21 5.973 -13.975 -7.907 179 HB3 LYS 21 HB1 LYS 21 5.839 -12.479 -7.007 180 HG2 LYS 21 HG2 LYS 21 4.655 -13.637 -5.230 181 HG3 LYS 21 HG1 LYS 21 4.772 -15.151 -6.117 182 HD2 LYS 21 HD2 LYS 21 7.281 -14.813 -6.078 183 HD3 LYS 21 HD1 LYS 21 6.979 -13.540 -4.889 184 HE2 LYS 21 HE2 LYS 21 7.388 -15.488 -3.625 185 HE3 LYS 21 HE1 LYS 21 5.639 -15.251 -3.616 186 HZ1 LYS 21 HZ1 LYS 21 7.087 -17.120 -5.400 187 HZ2 LYS 21 HZ2 LYS 21 5.411 -16.900 -5.339 188 HZ3 LYS 21 HZ3 LYS 21 6.227 -17.560 -4.014 189 H HIS 22 HN HIS 22 3.562 -10.766 -7.079 190 HA HIS 22 HA HIS 22 1.697 -11.689 -4.997 191 HB2 HIS 22 HB2 HIS 22 3.276 -9.094 -5.097 192 HB3 HIS 22 HB1 HIS 22 2.177 -9.574 -3.797 193 HD1 HIS 22 HD1 HIS 22 3.013 -11.335 -2.109 194 HD2 HIS 22 HD2 HIS 22 5.755 -10.438 -5.111 195 HE1 HIS 22 HE1 HIS 22 5.182 -12.353 -1.347 196 HE2 HIS 22 HE2 HIS 22 6.862 -11.666 -3.104 197 H ALA 23 HN ALA 23 1.893 -10.059 -7.938 198 HA ALA 23 HA ALA 23 0.145 -7.957 -7.810 199 HB1 ALA 23 HB1 ALA 23 1.471 -8.637 -9.774 200 HB2 ALA 23 HB2 ALA 23 -0.202 -8.228 -10.163 201 HB3 ALA 23 HB3 ALA 23 0.298 -9.917 -10.083 202 H ALA 24 HN ALA 24 -0.642 -11.362 -7.913 203 HA ALA 24 HA ALA 24 -3.343 -11.262 -8.557 204 HB1 ALA 24 HB1 ALA 24 -1.751 -13.165 -6.865 205 HB2 ALA 24 HB2 ALA 24 -2.252 -13.352 -8.547 206 HB3 ALA 24 HB3 ALA 24 -3.451 -13.428 -7.256 207 H TYR 25 HN TYR 25 -1.749 -10.322 -5.637 208 HA TYR 25 HA TYR 25 -4.329 -9.531 -4.523 209 HB2 TYR 25 HB2 TYR 25 -3.448 -10.300 -2.221 210 HB3 TYR 25 HB1 TYR 25 -4.080 -11.520 -3.320 211 HD1 TYR 25 HD1 TYR 25 -0.888 -10.014 -2.118 212 HD2 TYR 25 HD2 TYR 25 -2.805 -13.365 -3.900 213 HE1 TYR 25 HE1 TYR 25 1.176 -11.327 -1.889 214 HE2 TYR 25 HE2 TYR 25 -0.733 -14.674 -3.689 215 HH TYR 25 HH TYR 25 1.662 -14.316 -3.449 216 H ALA 26 HN ALA 26 -1.829 -8.317 -5.759 217 HA ALA 26 HA ALA 26 -1.295 -6.359 -3.616 218 HB1 ALA 26 HB1 ALA 26 0.731 -7.624 -4.239 219 HB2 ALA 26 HB2 ALA 26 0.866 -5.915 -4.656 220 HB3 ALA 26 HB3 ALA 26 0.520 -7.100 -5.912 221 H TRP 27 HN TRP 27 -2.687 -6.824 -6.678 222 HA TRP 27 HA TRP 27 -1.996 -4.526 -8.045 223 HB2 TRP 27 HB2 TRP 27 -4.066 -4.826 -9.368 224 HB3 TRP 27 HB1 TRP 27 -3.135 -6.304 -9.195 225 HD1 TRP 27 HD1 TRP 27 -4.266 -8.320 -7.924 226 HE1 TRP 27 HE1 TRP 27 -6.674 -8.792 -7.159 227 HE3 TRP 27 HE3 TRP 27 -6.238 -3.618 -8.450 228 HZ2 TRP 27 HZ2 TRP 27 -9.084 -7.374 -6.834 229 HZ3 TRP 27 HZ3 TRP 27 -8.604 -3.277 -7.897 230 HH2 TRP 27 HH2 TRP 27 -9.997 -5.115 -7.104 231 HA PRO 28 HA PRO 28 -5.917 -2.326 -5.963 232 HB2 PRO 28 HB2 PRO 28 -5.633 -2.679 -3.187 233 HB3 PRO 28 HB1 PRO 28 -6.947 -3.295 -4.188 234 HG2 PRO 28 HG2 PRO 28 -4.553 -4.675 -3.120 235 HG3 PRO 28 HG1 PRO 28 -6.134 -5.347 -3.558 236 HD2 PRO 28 HD2 PRO 28 -3.897 -5.723 -5.048 237 HD3 PRO 28 HD1 PRO 28 -5.526 -5.692 -5.746 238 H PHE 29 HN PHE 29 -2.684 -2.840 -4.811 239 HA PHE 29 HA PHE 29 -2.591 -0.101 -3.728 240 HB2 PHE 29 HB2 PHE 29 -0.385 -2.064 -3.258 241 HB3 PHE 29 HB1 PHE 29 -0.963 -0.751 -2.227 242 HD1 PHE 29 HD1 PHE 29 -0.861 -4.220 -2.622 243 HD2 PHE 29 HD2 PHE 29 -3.473 -1.078 -1.405 244 HE1 PHE 29 HE1 PHE 29 -2.222 -5.833 -1.379 245 HE2 PHE 29 HE2 PHE 29 -4.839 -2.695 -0.159 246 HZ PHE 29 HZ PHE 29 -4.220 -5.071 -0.161 247 H TYR 30 HN TYR 30 -1.656 -1.942 -6.392 248 HA TYR 30 HA TYR 30 0.763 -0.828 -7.161 249 HB2 TYR 30 HB2 TYR 30 -1.620 -1.755 -8.742 250 HB3 TYR 30 HB1 TYR 30 -0.242 -1.031 -9.562 251 HD1 TYR 30 HD1 TYR 30 0.272 -2.999 -6.559 252 HD2 TYR 30 HD2 TYR 30 0.171 -3.136 -10.795 253 HE1 TYR 30 HE1 TYR 30 1.444 -5.150 -6.503 254 HE2 TYR 30 HE2 TYR 30 1.335 -5.297 -10.757 255 HH TYR 30 HH TYR 30 1.925 -7.001 -7.755 256 H LYS 31 HN LYS 31 -2.506 0.459 -7.752 257 HA LYS 31 HA LYS 31 -1.364 3.135 -7.991 258 HB2 LYS 31 HB2 LYS 31 -3.091 1.730 -10.011 259 HB3 LYS 31 HB1 LYS 31 -2.984 3.484 -9.948 260 HG2 LYS 31 HG2 LYS 31 -0.600 3.383 -10.366 261 HG3 LYS 31 HG1 LYS 31 -0.647 1.624 -10.337 262 HD2 LYS 31 HD2 LYS 31 -2.318 3.183 -12.268 263 HD3 LYS 31 HD1 LYS 31 -0.628 2.837 -12.614 264 HE2 LYS 31 HE2 LYS 31 -1.994 1.162 -13.665 265 HE3 LYS 31 HE1 LYS 31 -1.110 0.424 -12.335 266 HZ1 LYS 31 HZ1 LYS 31 -3.457 -0.266 -12.485 267 HZ2 LYS 31 HZ2 LYS 31 -3.933 1.323 -12.158 268 HZ3 LYS 31 HZ3 LYS 31 -3.073 0.438 -11.001 269 HA PRO 32 HA PRO 32 -4.576 4.596 -5.412 270 HB2 PRO 32 HB2 PRO 32 -5.589 6.704 -6.950 271 HB3 PRO 32 HB1 PRO 32 -4.218 6.802 -5.843 272 HG2 PRO 32 HG2 PRO 32 -4.244 6.435 -8.805 273 HG3 PRO 32 HG1 PRO 32 -3.135 7.386 -7.798 274 HD2 PRO 32 HD2 PRO 32 -2.382 5.034 -8.786 275 HD3 PRO 32 HD1 PRO 32 -1.927 5.507 -7.136 276 H VAL 33 HN VAL 33 -6.641 4.094 -4.994 277 HA VAL 33 HA VAL 33 -8.229 2.677 -6.806 278 HB VAL 33 HB VAL 33 -9.794 2.451 -5.161 279 HG11 VAL 33 HG11 VAL 33 -7.723 1.821 -4.155 280 HG12 VAL 33 HG12 VAL 33 -8.786 2.516 -2.937 281 HG13 VAL 33 HG13 VAL 33 -7.450 3.465 -3.588 282 HG21 VAL 33 HG21 VAL 33 -10.937 4.343 -4.809 283 HG22 VAL 33 HG22 VAL 33 -9.481 5.346 -4.766 284 HG23 VAL 33 HG23 VAL 33 -9.954 4.418 -3.342 285 H ASP 34 HN ASP 34 -10.002 3.258 -8.045 286 HA ASP 34 HA ASP 34 -9.932 6.023 -8.952 287 HB2 ASP 34 HB2 ASP 34 -11.572 3.697 -10.003 288 HB3 ASP 34 HB1 ASP 34 -11.408 5.275 -10.764 289 H ALA 35 HN ALA 35 -10.706 6.542 -6.729 290 HA ALA 35 HA ALA 35 -13.028 5.685 -5.561 291 HB1 ALA 35 HB1 ALA 35 -12.662 7.281 -3.992 292 HB2 ALA 35 HB2 ALA 35 -12.318 8.534 -5.186 293 HB3 ALA 35 HB3 ALA 35 -11.094 7.324 -4.800 294 H SER 36 HN SER 36 -12.660 8.404 -7.800 295 HA SER 36 HA SER 36 -15.269 9.390 -7.588 296 HB2 SER 36 HB2 SER 36 -13.432 9.505 -9.985 297 HB3 SER 36 HB1 SER 36 -14.777 10.596 -9.641 298 HG SER 36 HG SER 36 -12.627 11.369 -9.029 299 H ALA 37 HN ALA 37 -13.888 6.912 -9.689 300 HA ALA 37 HA ALA 37 -16.357 6.497 -11.130 301 HB1 ALA 37 HB1 ALA 37 -13.778 4.931 -11.102 302 HB2 ALA 37 HB2 ALA 37 -14.245 6.168 -12.272 303 HB3 ALA 37 HB3 ALA 37 -15.131 4.644 -12.200 304 H LEU 38 HN LEU 38 -14.751 5.243 -8.357 305 HA LEU 38 HA LEU 38 -16.199 2.782 -8.155 306 HB2 LEU 38 HB2 LEU 38 -14.404 4.332 -6.308 307 HB3 LEU 38 HB1 LEU 38 -15.198 2.857 -5.792 308 HG LEU 38 HG LEU 38 -13.440 2.926 -8.234 309 HD11 LEU 38 HD11 LEU 38 -12.610 2.512 -5.360 310 HD12 LEU 38 HD12 LEU 38 -12.011 3.715 -6.499 311 HD13 LEU 38 HD13 LEU 38 -11.650 2.009 -6.750 312 HD21 LEU 38 HD21 LEU 38 -14.195 0.702 -6.348 313 HD22 LEU 38 HD22 LEU 38 -13.274 0.555 -7.848 314 HD23 LEU 38 HD23 LEU 38 -14.972 1.022 -7.901 315 H GLY 39 HN GLY 39 -17.047 5.973 -7.623 316 HA2 GLY 39 HA2 GLY 39 -19.121 6.771 -6.908 317 HA3 GLY 39 HA1 GLY 39 -19.472 5.188 -6.228 318 H LEU 40 HN LEU 40 -16.428 6.240 -5.390 319 HA LEU 40 HA LEU 40 -17.294 6.700 -2.651 320 HB2 LEU 40 HB2 LEU 40 -14.449 6.488 -3.561 321 HB3 LEU 40 HB1 LEU 40 -15.143 6.042 -2.014 322 HG LEU 40 HG LEU 40 -15.399 4.550 -4.617 323 HD11 LEU 40 HD11 LEU 40 -13.310 4.135 -3.616 324 HD12 LEU 40 HD12 LEU 40 -14.322 2.750 -3.296 325 HD13 LEU 40 HD13 LEU 40 -14.025 3.931 -2.025 326 HD21 LEU 40 HD21 LEU 40 -16.725 4.016 -1.985 327 HD22 LEU 40 HD22 LEU 40 -16.651 2.864 -3.308 328 HD23 LEU 40 HD23 LEU 40 -17.515 4.389 -3.508 329 H HIS 41 HN HIS 41 -18.046 8.856 -2.966 330 HA HIS 41 HA HIS 41 -16.176 10.889 -3.892 331 HB2 HIS 41 HB2 HIS 41 -18.932 11.253 -2.676 332 HB3 HIS 41 HB1 HIS 41 -18.003 12.461 -3.548 333 HD1 HIS 41 HD1 HIS 41 -18.018 12.376 -6.103 334 HD2 HIS 41 HD2 HIS 41 -20.262 9.333 -4.339 335 HE1 HIS 41 HE1 HIS 41 -19.398 11.380 -7.950 336 HE2 HIS 41 HE2 HIS 41 -20.672 9.496 -6.881 337 H ASP 42 HN ASP 42 -16.460 9.211 -1.149 338 HA ASP 42 HA ASP 42 -15.911 11.471 0.633 339 HB2 ASP 42 HB2 ASP 42 -16.826 8.661 1.195 340 HB3 ASP 42 HB1 ASP 42 -16.338 9.776 2.460 341 H TYR 43 HN TYR 43 -14.078 9.743 -1.257 342 HA TYR 43 HA TYR 43 -12.532 8.114 0.485 343 HB2 TYR 43 HB2 TYR 43 -12.758 7.579 -1.876 344 HB3 TYR 43 HB1 TYR 43 -11.979 9.079 -2.334 345 HD1 TYR 43 HD1 TYR 43 -11.440 5.760 -0.857 346 HD2 TYR 43 HD2 TYR 43 -9.587 9.255 -2.385 347 HE1 TYR 43 HE1 TYR 43 -9.300 4.571 -0.928 348 HE2 TYR 43 HE2 TYR 43 -7.432 8.077 -2.463 349 HH TYR 43 HH TYR 43 -7.165 4.677 -1.989 350 H HIS 44 HN HIS 44 -11.986 11.332 -0.925 351 HA HIS 44 HA HIS 44 -9.371 11.480 0.313 352 HB2 HIS 44 HB2 HIS 44 -10.932 13.437 -1.367 353 HB3 HIS 44 HB1 HIS 44 -9.385 13.840 -0.632 354 HD1 HIS 44 HD1 HIS 44 -7.281 12.945 -1.752 355 HD2 HIS 44 HD2 HIS 44 -10.788 11.483 -3.442 356 HE1 HIS 44 HE1 HIS 44 -6.581 11.775 -3.865 357 HE2 HIS 44 HE2 HIS 44 -8.736 11.042 -4.947 358 H ASP 45 HN ASP 45 -12.326 11.701 1.576 359 HA ASP 45 HA ASP 45 -11.656 13.861 3.438 360 HB2 ASP 45 HB2 ASP 45 -14.186 12.259 3.067 361 HB3 ASP 45 HB1 ASP 45 -13.954 13.411 4.371 362 H ILE 46 HN ILE 46 -12.431 10.407 3.401 363 HA ILE 46 HA ILE 46 -11.887 10.063 6.190 364 HB ILE 46 HB ILE 46 -12.318 8.107 3.927 365 HG12 ILE 46 HG12 ILE 46 -14.208 7.393 5.403 366 HG13 ILE 46 HG11 ILE 46 -13.829 8.737 6.470 367 HG21 ILE 46 HG21 ILE 46 -10.946 6.697 5.066 368 HG22 ILE 46 HG22 ILE 46 -12.383 6.471 6.055 369 HG23 ILE 46 HG23 ILE 46 -11.119 7.579 6.579 370 HD11 ILE 46 HD11 ILE 46 -14.675 8.956 3.595 371 HD12 ILE 46 HD12 ILE 46 -14.321 10.303 4.677 372 HD13 ILE 46 HD13 ILE 46 -15.695 9.246 5.003 373 H ILE 47 HN ILE 47 -10.147 9.365 3.186 374 HA ILE 47 HA ILE 47 -7.838 8.450 4.679 375 HB ILE 47 HB ILE 47 -8.212 8.693 1.697 376 HG12 ILE 47 HG12 ILE 47 -9.812 7.143 2.817 377 HG13 ILE 47 HG11 ILE 47 -8.707 6.315 1.727 378 HG21 ILE 47 HG21 ILE 47 -6.321 7.044 1.682 379 HG22 ILE 47 HG22 ILE 47 -6.108 7.374 3.397 380 HG23 ILE 47 HG23 ILE 47 -5.891 8.663 2.217 381 HD11 ILE 47 HD11 ILE 47 -8.289 6.493 4.690 382 HD12 ILE 47 HD12 ILE 47 -7.470 5.443 3.536 383 HD13 ILE 47 HD13 ILE 47 -9.166 5.189 3.912 384 H LYS 48 HN LYS 48 -6.673 10.017 5.567 385 HA LYS 48 HA LYS 48 -6.276 12.557 4.238 386 HB2 LYS 48 HB2 LYS 48 -5.383 11.449 6.892 387 HB3 LYS 48 HB1 LYS 48 -4.884 13.025 6.301 388 HG2 LYS 48 HG2 LYS 48 -7.743 12.181 6.677 389 HG3 LYS 48 HG1 LYS 48 -6.809 13.100 7.858 390 HD2 LYS 48 HD2 LYS 48 -6.690 14.980 6.469 391 HD3 LYS 48 HD1 LYS 48 -7.113 14.051 5.032 392 HE2 LYS 48 HE2 LYS 48 -8.944 15.493 5.825 393 HE3 LYS 48 HE1 LYS 48 -9.345 13.780 5.774 394 HZ1 LYS 48 HZ1 LYS 48 -10.134 14.876 7.805 395 HZ2 LYS 48 HZ2 LYS 48 -8.543 15.261 8.220 396 HZ3 LYS 48 HZ3 LYS 48 -9.030 13.643 8.145 397 H HIS 49 HN HIS 49 -4.611 9.576 4.694 398 HA HIS 49 HA HIS 49 -2.298 10.682 3.245 399 HB2 HIS 49 HB2 HIS 49 -2.380 8.578 5.391 400 HB3 HIS 49 HB1 HIS 49 -1.019 8.727 4.288 401 HD1 HIS 49 HD1 HIS 49 0.559 10.723 4.612 402 HD2 HIS 49 HD2 HIS 49 -2.608 10.632 7.300 403 HE1 HIS 49 HE1 HIS 49 1.132 12.402 6.389 404 HE2 HIS 49 HE2 HIS 49 -0.716 12.212 8.085 405 HA PRO 50 HA PRO 50 -4.123 7.330 0.547 406 HB2 PRO 50 HB2 PRO 50 -4.284 8.874 -1.686 407 HB3 PRO 50 HB1 PRO 50 -5.610 8.724 -0.527 408 HG2 PRO 50 HG2 PRO 50 -3.564 10.896 -0.803 409 HG3 PRO 50 HG1 PRO 50 -5.312 11.027 -0.515 410 HD2 PRO 50 HD2 PRO 50 -3.499 11.270 1.478 411 HD3 PRO 50 HD1 PRO 50 -5.107 10.563 1.740 412 H MET 51 HN MET 51 -2.334 6.136 0.247 413 HA MET 51 HA MET 51 -0.240 7.225 -1.486 414 HB2 MET 51 HB2 MET 51 0.682 7.385 0.729 415 HB3 MET 51 HB1 MET 51 0.165 5.754 1.137 416 HG2 MET 51 HG2 MET 51 2.600 5.952 0.698 417 HG3 MET 51 HG1 MET 51 1.785 4.813 -0.379 418 HE1 MET 51 HE1 MET 51 2.979 8.462 0.008 419 HE2 MET 51 HE2 MET 51 1.470 8.751 -0.850 420 HE3 MET 51 HE3 MET 51 3.015 9.072 -1.642 421 H ASP 52 HN ASP 52 0.872 5.661 -2.721 422 HA ASP 52 HA ASP 52 -0.303 2.980 -2.822 423 HB2 ASP 52 HB2 ASP 52 0.106 4.589 -5.348 424 HB3 ASP 52 HB1 ASP 52 -0.788 3.080 -5.153 425 H LEU 53 HN LEU 53 1.118 1.418 -3.895 426 HA LEU 53 HA LEU 53 3.806 1.751 -3.278 427 HB2 LEU 53 HB2 LEU 53 2.381 -0.150 -5.091 428 HB3 LEU 53 HB1 LEU 53 4.131 -0.174 -4.972 429 HG LEU 53 HG LEU 53 2.290 -0.473 -2.603 430 HD11 LEU 53 HD11 LEU 53 2.054 -2.257 -4.290 431 HD12 LEU 53 HD12 LEU 53 2.640 -2.824 -2.733 432 HD13 LEU 53 HD13 LEU 53 3.757 -2.635 -4.089 433 HD21 LEU 53 HD21 LEU 53 4.451 0.289 -1.958 434 HD22 LEU 53 HD22 LEU 53 5.245 -0.898 -2.988 435 HD23 LEU 53 HD23 LEU 53 4.343 -1.424 -1.567 436 H SER 54 HN SER 54 2.171 2.304 -6.358 437 HA SER 54 HA SER 54 4.396 2.874 -7.945 438 HB2 SER 54 HB2 SER 54 2.776 4.340 -9.243 439 HB3 SER 54 HB1 SER 54 2.229 2.681 -8.989 440 HG SER 54 HG SER 54 0.663 3.369 -7.758 441 H THR 55 HN THR 55 2.565 4.969 -5.762 442 HA THR 55 HA THR 55 4.035 7.331 -6.427 443 HB THR 55 HB THR 55 2.435 6.991 -3.904 444 HG1 THR 55 HG1 THR 55 0.992 6.301 -5.444 445 HG21 THR 55 HG21 THR 55 3.790 9.048 -4.407 446 HG22 THR 55 HG22 THR 55 2.075 9.326 -4.112 447 HG23 THR 55 HG23 THR 55 2.703 9.346 -5.761 448 H VAL 56 HN VAL 56 4.213 4.872 -3.901 449 HA VAL 56 HA VAL 56 6.145 6.102 -2.274 450 HB VAL 56 HB VAL 56 5.787 3.151 -2.856 451 HG11 VAL 56 HG11 VAL 56 8.009 3.607 -1.944 452 HG12 VAL 56 HG12 VAL 56 6.999 2.789 -0.746 453 HG13 VAL 56 HG13 VAL 56 7.284 4.523 -0.619 454 HG21 VAL 56 HG21 VAL 56 3.821 4.354 -1.878 455 HG22 VAL 56 HG22 VAL 56 4.828 4.738 -0.484 456 HG23 VAL 56 HG23 VAL 56 4.464 3.057 -0.870 457 H LYS 57 HN LYS 57 6.427 3.960 -5.063 458 HA LYS 57 HA LYS 57 9.247 3.942 -5.171 459 HB2 LYS 57 HB2 LYS 57 7.212 2.644 -6.489 460 HB3 LYS 57 HB1 LYS 57 7.884 3.675 -7.746 461 HG2 LYS 57 HG2 LYS 57 10.124 2.750 -7.220 462 HG3 LYS 57 HG1 LYS 57 9.355 1.636 -6.103 463 HD2 LYS 57 HD2 LYS 57 7.941 0.846 -8.025 464 HD3 LYS 57 HD1 LYS 57 9.003 1.786 -9.079 465 HE2 LYS 57 HE2 LYS 57 9.907 -0.382 -7.192 466 HE3 LYS 57 HE1 LYS 57 9.666 -0.589 -8.927 467 HZ1 LYS 57 HZ1 LYS 57 11.623 1.252 -7.650 468 HZ2 LYS 57 HZ2 LYS 57 11.384 1.078 -9.313 469 HZ3 LYS 57 HZ3 LYS 57 11.988 -0.212 -8.409 470 H ARG 58 HN ARG 58 6.766 5.868 -6.746 471 HA ARG 58 HA ARG 58 8.289 7.452 -8.428 472 HB2 ARG 58 HB2 ARG 58 5.823 7.410 -8.307 473 HB3 ARG 58 HB1 ARG 58 5.894 8.269 -6.780 474 HG2 ARG 58 HG2 ARG 58 6.906 10.185 -7.894 475 HG3 ARG 58 HG1 ARG 58 6.829 9.336 -9.433 476 HD2 ARG 58 HD2 ARG 58 4.392 9.216 -9.232 477 HD3 ARG 58 HD1 ARG 58 4.487 10.065 -7.691 478 HE ARG 58 HE ARG 58 5.743 11.629 -9.640 479 HH11 ARG 58 HH11 ARG 58 2.544 10.484 -8.808 480 HH12 ARG 58 HH12 ARG 58 1.735 11.865 -9.478 481 HH21 ARG 58 HH21 ARG 58 4.684 13.448 -10.527 482 HH22 ARG 58 HH22 ARG 58 2.955 13.550 -10.460 483 H LYS 59 HN LYS 59 7.390 8.117 -5.053 484 HA LYS 59 HA LYS 59 8.960 10.484 -4.876 485 HB2 LYS 59 HB2 LYS 59 7.781 8.734 -2.707 486 HB3 LYS 59 HB1 LYS 59 8.527 10.303 -2.433 487 HG2 LYS 59 HG2 LYS 59 6.824 11.441 -3.571 488 HG3 LYS 59 HG1 LYS 59 6.207 9.957 -4.297 489 HD2 LYS 59 HD2 LYS 59 4.766 10.780 -2.472 490 HD3 LYS 59 HD1 LYS 59 5.420 9.179 -2.143 491 HE2 LYS 59 HE2 LYS 59 7.056 11.398 -1.123 492 HE3 LYS 59 HE1 LYS 59 5.452 11.276 -0.401 493 HZ1 LYS 59 HZ1 LYS 59 5.887 9.049 0.282 494 HZ2 LYS 59 HZ2 LYS 59 7.194 10.005 0.781 495 HZ3 LYS 59 HZ3 LYS 59 7.349 9.006 -0.569 496 H MET 60 HN MET 60 9.597 7.089 -4.277 497 HA MET 60 HA MET 60 12.130 7.424 -3.027 498 HB2 MET 60 HB2 MET 60 10.964 5.262 -2.956 499 HB3 MET 60 HB1 MET 60 11.093 5.122 -4.704 500 HG2 MET 60 HG2 MET 60 13.636 5.296 -4.286 501 HG3 MET 60 HG1 MET 60 13.220 4.873 -2.627 502 HE1 MET 60 HE1 MET 60 11.742 2.768 -2.036 503 HE2 MET 60 HE2 MET 60 11.408 1.433 -3.138 504 HE3 MET 60 HE3 MET 60 10.586 2.980 -3.348 505 H GLU 61 HN GLU 61 11.038 7.255 -6.363 506 HA GLU 61 HA GLU 61 13.576 7.150 -7.590 507 HB2 GLU 61 HB2 GLU 61 10.845 7.920 -8.493 508 HB3 GLU 61 HB1 GLU 61 12.236 8.158 -9.556 509 HG2 GLU 61 HG2 GLU 61 11.306 5.554 -8.361 510 HG3 GLU 61 HG1 GLU 61 11.284 6.019 -10.058 511 H ASN 62 HN ASN 62 11.598 9.783 -6.426 512 HA ASN 62 HA ASN 62 13.362 11.804 -7.521 513 HB2 ASN 62 HB2 ASN 62 10.977 11.942 -5.673 514 HB3 ASN 62 HB1 ASN 62 11.967 13.349 -6.034 515 HD21 ASN 62 HD21 ASN 62 11.280 10.852 -8.392 516 HD22 ASN 62 HD22 ASN 62 10.253 11.815 -9.392 517 H ARG 63 HN ARG 63 13.562 9.632 -5.160 518 HA ARG 63 HA ARG 63 14.901 9.254 -3.397 519 HB2 ARG 63 HB2 ARG 63 16.518 11.542 -4.523 520 HB3 ARG 63 HB1 ARG 63 17.104 10.261 -3.473 521 HG2 ARG 63 HG2 ARG 63 15.981 9.803 -6.228 522 HG3 ARG 63 HG1 ARG 63 17.700 9.977 -5.857 523 HD2 ARG 63 HD2 ARG 63 17.858 7.905 -4.964 524 HD3 ARG 63 HD1 ARG 63 16.257 7.979 -4.238 525 HE ARG 63 HE ARG 63 15.327 7.186 -6.229 526 HH11 ARG 63 HH11 ARG 63 18.791 7.577 -6.522 527 HH12 ARG 63 HH12 ARG 63 18.926 6.511 -7.884 528 HH21 ARG 63 HH21 ARG 63 15.486 5.791 -8.039 529 HH22 ARG 63 HH22 ARG 63 17.045 5.502 -8.752 530 H ASP 64 HN ASP 64 12.702 11.021 -3.018 531 HA ASP 64 HA ASP 64 13.431 13.080 -1.172 532 HB2 ASP 64 HB2 ASP 64 10.975 11.984 -2.238 533 HB3 ASP 64 HB1 ASP 64 10.849 12.159 -0.490 534 H TYR 65 HN TYR 65 13.503 9.753 -1.000 535 HA TYR 65 HA TYR 65 12.867 9.526 1.817 536 HB2 TYR 65 HB2 TYR 65 13.768 7.485 -0.226 537 HB3 TYR 65 HB1 TYR 65 13.415 7.106 1.455 538 HD1 TYR 65 HD1 TYR 65 11.636 5.580 1.081 539 HD2 TYR 65 HD2 TYR 65 11.468 9.475 -0.607 540 HE1 TYR 65 HE1 TYR 65 9.272 5.227 0.489 541 HE2 TYR 65 HE2 TYR 65 9.117 9.128 -1.176 542 HH TYR 65 HH TYR 65 7.654 6.919 -1.666 543 H ARG 66 HN ARG 66 14.290 9.334 3.417 544 HA ARG 66 HA ARG 66 17.130 9.638 2.790 545 HB2 ARG 66 HB2 ARG 66 16.364 11.220 4.371 546 HB3 ARG 66 HB1 ARG 66 15.465 10.012 5.273 547 HG2 ARG 66 HG2 ARG 66 17.622 8.999 5.964 548 HG3 ARG 66 HG1 ARG 66 18.457 10.327 5.154 549 HD2 ARG 66 HD2 ARG 66 18.228 10.741 7.557 550 HD3 ARG 66 HD1 ARG 66 17.341 11.930 6.603 551 HE ARG 66 HE ARG 66 15.672 9.749 7.357 552 HH11 ARG 66 HH11 ARG 66 17.152 12.652 8.619 553 HH12 ARG 66 HH12 ARG 66 15.899 12.941 9.782 554 HH21 ARG 66 HH21 ARG 66 14.017 10.119 8.881 555 HH22 ARG 66 HH22 ARG 66 14.120 11.488 9.945 556 H ASP 67 HN ASP 67 14.881 7.326 4.155 557 HA ASP 67 HA ASP 67 16.969 5.329 4.158 558 HB2 ASP 67 HB2 ASP 67 16.824 6.584 6.457 559 HB3 ASP 67 HB1 ASP 67 15.418 5.565 6.674 560 H ALA 68 HN ALA 68 15.884 3.243 5.224 561 HA ALA 68 HA ALA 68 13.703 2.674 3.413 562 HB1 ALA 68 HB1 ALA 68 15.099 0.916 5.420 563 HB2 ALA 68 HB2 ALA 68 15.487 1.042 3.703 564 HB3 ALA 68 HB3 ALA 68 13.937 0.368 4.211 565 H GLN 69 HN GLN 69 14.137 3.593 6.652 566 HA GLN 69 HA GLN 69 11.728 2.531 7.726 567 HB2 GLN 69 HB2 GLN 69 13.640 3.325 9.113 568 HB3 GLN 69 HB1 GLN 69 13.255 4.972 8.635 569 HG2 GLN 69 HG2 GLN 69 12.302 4.662 10.762 570 HG3 GLN 69 HG1 GLN 69 10.981 4.607 9.597 571 HE21 GLN 69 HE21 GLN 69 12.968 2.731 11.748 572 HE22 GLN 69 HE22 GLN 69 11.926 1.354 11.826 573 H GLU 70 HN GLU 70 12.638 5.510 6.111 574 HA GLU 70 HA GLU 70 10.122 6.789 6.369 575 HB2 GLU 70 HB2 GLU 70 12.360 7.207 4.385 576 HB3 GLU 70 HB1 GLU 70 10.944 8.242 4.520 577 HG2 GLU 70 HG2 GLU 70 11.597 8.642 6.910 578 HG3 GLU 70 HG1 GLU 70 13.110 7.811 6.553 579 H PHE 71 HN PHE 71 11.553 4.583 4.067 580 HA PHE 71 HA PHE 71 9.419 4.581 2.218 581 HB2 PHE 71 HB2 PHE 71 11.276 3.488 1.357 582 HB3 PHE 71 HB1 PHE 71 11.625 2.659 2.869 583 HD1 PHE 71 HD1 PHE 71 9.473 2.669 -0.115 584 HD2 PHE 71 HD2 PHE 71 10.665 0.534 3.360 585 HE1 PHE 71 HE1 PHE 71 8.332 0.657 -0.964 586 HE2 PHE 71 HE2 PHE 71 9.519 -1.470 2.532 587 HZ PHE 71 HZ PHE 71 8.357 -1.418 0.359 588 H ALA 72 HN ALA 72 10.169 2.437 4.957 589 HA ALA 72 HA ALA 72 7.916 0.864 4.922 590 HB1 ALA 72 HB1 ALA 72 9.520 1.853 7.275 591 HB2 ALA 72 HB2 ALA 72 9.740 0.346 6.386 592 HB3 ALA 72 HB3 ALA 72 8.299 0.585 7.373 593 H ALA 73 HN ALA 73 8.416 4.009 6.395 594 HA ALA 73 HA ALA 73 5.990 4.369 7.670 595 HB1 ALA 73 HB1 ALA 73 7.964 6.230 6.409 596 HB2 ALA 73 HB2 ALA 73 7.635 5.943 8.120 597 HB3 ALA 73 HB3 ALA 73 6.481 6.846 7.141 598 H ASP 74 HN ASP 74 6.871 5.089 4.299 599 HA ASP 74 HA ASP 74 4.363 6.201 3.592 600 HB2 ASP 74 HB2 ASP 74 6.868 5.436 2.236 601 HB3 ASP 74 HB1 ASP 74 5.434 5.419 1.235 602 H VAL 75 HN VAL 75 5.842 3.015 2.974 603 HA VAL 75 HA VAL 75 3.627 2.030 1.509 604 HB VAL 75 HB VAL 75 5.711 0.977 1.110 605 HG11 VAL 75 HG11 VAL 75 6.906 1.367 3.123 606 HG12 VAL 75 HG12 VAL 75 6.853 -0.379 2.873 607 HG13 VAL 75 HG13 VAL 75 5.780 0.377 4.052 608 HG21 VAL 75 HG21 VAL 75 5.230 -1.441 1.801 609 HG22 VAL 75 HG22 VAL 75 4.055 -0.617 0.774 610 HG23 VAL 75 HG23 VAL 75 3.744 -0.797 2.502 611 H ARG 76 HN ARG 76 4.516 1.763 4.937 612 HA ARG 76 HA ARG 76 2.434 -0.077 5.546 613 HB2 ARG 76 HB2 ARG 76 3.026 0.163 7.795 614 HB3 ARG 76 HB1 ARG 76 4.530 0.410 6.931 615 HG2 ARG 76 HG2 ARG 76 4.122 2.885 7.131 616 HG3 ARG 76 HG1 ARG 76 2.794 2.498 8.226 617 HD2 ARG 76 HD2 ARG 76 4.323 1.376 9.732 618 HD3 ARG 76 HD1 ARG 76 5.658 1.636 8.611 619 HE ARG 76 HE ARG 76 4.263 3.987 9.650 620 HH11 ARG 76 HH11 ARG 76 7.101 1.926 9.707 621 HH12 ARG 76 HH12 ARG 76 8.096 3.102 10.506 622 HH21 ARG 76 HH21 ARG 76 5.585 5.533 10.715 623 HH22 ARG 76 HH22 ARG 76 7.236 5.138 11.082 624 H LEU 77 HN LEU 77 2.633 3.403 5.326 625 HA LEU 77 HA LEU 77 0.179 4.020 6.566 626 HB2 LEU 77 HB2 LEU 77 2.210 5.388 5.091 627 HB3 LEU 77 HB1 LEU 77 0.646 5.838 4.440 628 HG LEU 77 HG LEU 77 1.529 6.126 7.308 629 HD11 LEU 77 HD11 LEU 77 1.076 8.071 5.080 630 HD12 LEU 77 HD12 LEU 77 2.566 7.778 5.970 631 HD13 LEU 77 HD13 LEU 77 1.196 8.548 6.771 632 HD21 LEU 77 HD21 LEU 77 -1.111 6.496 5.948 633 HD22 LEU 77 HD22 LEU 77 -0.686 7.450 7.369 634 HD23 LEU 77 HD23 LEU 77 -0.750 5.691 7.476 635 H MET 78 HN MET 78 1.039 3.060 3.306 636 HA MET 78 HA MET 78 -1.463 3.417 2.066 637 HB2 MET 78 HB2 MET 78 0.622 2.965 0.860 638 HB3 MET 78 HB1 MET 78 0.683 1.355 1.556 639 HG2 MET 78 HG2 MET 78 -1.378 0.760 0.312 640 HG3 MET 78 HG1 MET 78 -1.379 2.387 -0.393 641 HE1 MET 78 HE1 MET 78 1.488 -0.205 0.418 642 HE2 MET 78 HE2 MET 78 2.176 1.402 0.218 643 HE3 MET 78 HE3 MET 78 2.552 0.137 -0.942 644 H PHE 79 HN PHE 79 -0.051 0.588 3.720 645 HA PHE 79 HA PHE 79 -2.371 -1.015 3.463 646 HB2 PHE 79 HB2 PHE 79 -0.127 -1.200 5.479 647 HB3 PHE 79 HB1 PHE 79 -1.370 -2.427 5.234 648 HD1 PHE 79 HD1 PHE 79 -1.570 -2.478 2.295 649 HD2 PHE 79 HD2 PHE 79 1.842 -2.222 4.825 650 HE1 PHE 79 HE1 PHE 79 -0.198 -3.513 0.539 651 HE2 PHE 79 HE2 PHE 79 3.219 -3.260 3.075 652 HZ PHE 79 HZ PHE 79 2.214 -3.898 0.920 653 H SER 80 HN SER 80 -1.310 1.275 5.917 654 HA SER 80 HA SER 80 -3.262 0.720 7.853 655 HB2 SER 80 HB2 SER 80 -1.820 3.322 7.284 656 HB3 SER 80 HB1 SER 80 -2.710 2.947 8.761 657 HG SER 80 HG SER 80 -0.481 1.474 7.778 658 H ASN 81 HN ASN 81 -3.265 3.113 5.173 659 HA ASN 81 HA ASN 81 -5.724 4.227 6.001 660 HB2 ASN 81 HB2 ASN 81 -5.758 5.541 4.038 661 HB3 ASN 81 HB1 ASN 81 -4.067 5.383 4.484 662 HD21 ASN 81 HD21 ASN 81 -2.678 4.657 3.014 663 HD22 ASN 81 HD22 ASN 81 -3.115 4.007 1.470 664 H CYS 82 HN CYS 82 -4.935 1.504 3.963 665 HA CYS 82 HA CYS 82 -7.512 1.126 2.850 666 HB2 CYS 82 HB2 CYS 82 -5.768 -0.201 1.879 667 HB3 CYS 82 HB1 CYS 82 -5.345 -0.916 3.440 668 HG CYS 82 HG CYS 82 -6.514 -3.007 2.291 669 H TYR 83 HN TYR 83 -6.097 -0.113 5.903 670 HA TYR 83 HA TYR 83 -8.422 -1.540 6.678 671 HB2 TYR 83 HB2 TYR 83 -6.346 -0.286 8.489 672 HB3 TYR 83 HB1 TYR 83 -7.550 -1.480 8.963 673 HD1 TYR 83 HD1 TYR 83 -7.280 -3.379 6.625 674 HD2 TYR 83 HD2 TYR 83 -4.323 -1.393 8.981 675 HE1 TYR 83 HE1 TYR 83 -5.684 -5.205 6.180 676 HE2 TYR 83 HE2 TYR 83 -2.752 -3.213 8.542 677 HH TYR 83 HH TYR 83 -3.130 -5.455 6.139 678 H LYS 84 HN LYS 84 -7.608 1.798 6.718 679 HA LYS 84 HA LYS 84 -9.422 2.604 8.776 680 HB2 LYS 84 HB2 LYS 84 -7.399 3.899 8.084 681 HB3 LYS 84 HB1 LYS 84 -8.208 4.265 6.569 682 HG2 LYS 84 HG2 LYS 84 -9.925 5.492 7.726 683 HG3 LYS 84 HG1 LYS 84 -9.201 5.076 9.283 684 HD2 LYS 84 HD2 LYS 84 -7.248 6.342 8.807 685 HD3 LYS 84 HD1 LYS 84 -7.719 6.553 7.121 686 HE2 LYS 84 HE2 LYS 84 -8.093 8.582 8.444 687 HE3 LYS 84 HE1 LYS 84 -9.590 7.927 7.776 688 HZ1 LYS 84 HZ1 LYS 84 -10.172 7.046 9.896 689 HZ2 LYS 84 HZ2 LYS 84 -9.729 8.659 10.138 690 HZ3 LYS 84 HZ3 LYS 84 -8.659 7.421 10.549 691 H TYR 85 HN TYR 85 -9.508 2.704 5.208 692 HA TYR 85 HA TYR 85 -12.108 3.901 5.165 693 HB2 TYR 85 HB2 TYR 85 -10.502 4.204 3.315 694 HB3 TYR 85 HB1 TYR 85 -10.626 2.494 2.926 695 HD1 TYR 85 HD1 TYR 85 -12.583 5.591 3.282 696 HD2 TYR 85 HD2 TYR 85 -12.393 1.771 1.415 697 HE1 TYR 85 HE1 TYR 85 -14.533 6.177 1.900 698 HE2 TYR 85 HE2 TYR 85 -14.345 2.338 0.036 699 HH TYR 85 HH TYR 85 -15.522 5.512 -0.239 700 H ASN 86 HN ASN 86 -10.831 0.658 4.566 701 HA ASN 86 HA ASN 86 -13.533 -0.290 3.980 702 HB2 ASN 86 HB2 ASN 86 -10.876 -1.681 3.562 703 HB3 ASN 86 HB1 ASN 86 -12.440 -2.201 2.930 704 HD21 ASN 86 HD21 ASN 86 -9.828 0.045 2.638 705 HD22 ASN 86 HD22 ASN 86 -10.287 0.706 1.106 706 HA PRO 87 HA PRO 87 -13.733 -2.312 7.949 707 HB2 PRO 87 HB2 PRO 87 -15.884 -3.882 7.374 708 HB3 PRO 87 HB1 PRO 87 -16.024 -2.164 7.759 709 HG2 PRO 87 HG2 PRO 87 -16.011 -3.510 5.085 710 HG3 PRO 87 HG1 PRO 87 -17.058 -2.206 5.675 711 HD2 PRO 87 HD2 PRO 87 -14.944 -1.729 4.077 712 HD3 PRO 87 HD1 PRO 87 -15.443 -0.587 5.343 713 HA PRO 88 HA PRO 88 -11.342 -5.919 7.717 714 HB2 PRO 88 HB2 PRO 88 -12.774 -7.602 9.431 715 HB3 PRO 88 HB1 PRO 88 -11.527 -6.446 9.900 716 HG2 PRO 88 HG2 PRO 88 -14.490 -6.167 9.965 717 HG3 PRO 88 HG1 PRO 88 -13.276 -5.541 11.095 718 HD2 PRO 88 HD2 PRO 88 -14.475 -3.939 9.325 719 HD3 PRO 88 HD1 PRO 88 -12.755 -3.738 9.726 720 H ASP 89 HN ASP 89 -14.722 -6.257 7.016 721 HA ASP 89 HA ASP 89 -14.215 -8.810 5.666 722 HB2 ASP 89 HB2 ASP 89 -16.870 -7.404 6.141 723 HB3 ASP 89 HB1 ASP 89 -16.661 -8.950 5.331 724 H HIS 90 HN HIS 90 -12.866 -7.691 4.092 725 HA HIS 90 HA HIS 90 -14.401 -7.218 1.720 726 HB2 HIS 90 HB2 HIS 90 -13.871 -4.922 3.133 727 HB3 HIS 90 HB1 HIS 90 -12.482 -5.005 2.060 728 HD1 HIS 90 HD1 HIS 90 -12.905 -4.735 -0.505 729 HD2 HIS 90 HD2 HIS 90 -16.353 -4.380 1.818 730 HE1 HIS 90 HE1 HIS 90 -14.658 -3.775 -2.012 731 HE2 HIS 90 HE2 HIS 90 -16.630 -3.350 -0.526 732 H ASP 91 HN ASP 91 -12.850 -6.797 -0.173 733 HA ASP 91 HA ASP 91 -10.866 -8.819 -0.145 734 HB2 ASP 91 HB2 ASP 91 -10.426 -8.139 -2.449 735 HB3 ASP 91 HB1 ASP 91 -12.159 -8.125 -2.186 736 H VAL 92 HN VAL 92 -10.617 -5.279 -0.260 737 HA VAL 92 HA VAL 92 -7.844 -5.197 -0.600 738 HB VAL 92 HB VAL 92 -8.090 -2.806 0.213 739 HG11 VAL 92 HG11 VAL 92 -8.016 -3.481 -2.096 740 HG12 VAL 92 HG12 VAL 92 -9.125 -2.127 -1.861 741 HG13 VAL 92 HG13 VAL 92 -9.757 -3.762 -2.079 742 HG21 VAL 92 HG21 VAL 92 -10.931 -3.655 0.227 743 HG22 VAL 92 HG22 VAL 92 -10.421 -1.979 0.181 744 HG23 VAL 92 HG23 VAL 92 -10.026 -2.991 1.573 745 H VAL 93 HN VAL 93 -9.748 -5.450 2.300 746 HA VAL 93 HA VAL 93 -7.564 -4.719 4.016 747 HB VAL 93 HB VAL 93 -8.995 -5.379 5.869 748 HG11 VAL 93 HG11 VAL 93 -10.581 -3.931 3.754 749 HG12 VAL 93 HG12 VAL 93 -9.338 -3.196 4.775 750 HG13 VAL 93 HG13 VAL 93 -10.817 -3.829 5.502 751 HG21 VAL 93 HG21 VAL 93 -10.925 -6.368 3.778 752 HG22 VAL 93 HG22 VAL 93 -11.214 -6.308 5.517 753 HG23 VAL 93 HG23 VAL 93 -9.981 -7.387 4.864 754 H ALA 94 HN ALA 94 -8.959 -7.677 2.752 755 HA ALA 94 HA ALA 94 -7.360 -9.451 4.306 756 HB1 ALA 94 HB1 ALA 94 -8.728 -9.919 1.654 757 HB2 ALA 94 HB2 ALA 94 -9.449 -10.170 3.244 758 HB3 ALA 94 HB3 ALA 94 -8.089 -11.164 2.727 759 H MET 95 HN MET 95 -7.075 -7.984 1.110 760 HA MET 95 HA MET 95 -4.635 -9.299 0.445 761 HB2 MET 95 HB2 MET 95 -5.874 -6.784 -0.691 762 HB3 MET 95 HB1 MET 95 -4.473 -7.607 -1.369 763 HG2 MET 95 HG2 MET 95 -5.926 -9.644 -1.645 764 HG3 MET 95 HG1 MET 95 -7.300 -8.641 -1.187 765 HE1 MET 95 HE1 MET 95 -7.880 -6.435 -2.332 766 HE2 MET 95 HE2 MET 95 -8.809 -7.616 -3.252 767 HE3 MET 95 HE3 MET 95 -7.929 -6.344 -4.093 768 H ALA 96 HN ALA 96 -5.438 -6.238 2.028 769 HA ALA 96 HA ALA 96 -2.765 -5.231 2.077 770 HB1 ALA 96 HB1 ALA 96 -4.529 -3.653 2.403 771 HB2 ALA 96 HB2 ALA 96 -3.628 -3.753 3.917 772 HB3 ALA 96 HB3 ALA 96 -5.179 -4.576 3.759 773 H ARG 97 HN ARG 97 -4.543 -7.529 3.917 774 HA ARG 97 HA ARG 97 -2.833 -7.527 6.226 775 HB2 ARG 97 HB2 ARG 97 -5.276 -8.174 6.163 776 HB3 ARG 97 HB1 ARG 97 -4.789 -9.646 5.338 777 HG2 ARG 97 HG2 ARG 97 -3.414 -10.252 7.286 778 HG3 ARG 97 HG1 ARG 97 -3.990 -8.797 8.109 779 HD2 ARG 97 HD2 ARG 97 -5.691 -11.090 7.135 780 HD3 ARG 97 HD1 ARG 97 -5.277 -10.738 8.811 781 HE ARG 97 HE ARG 97 -6.556 -8.651 8.560 782 HH11 ARG 97 HH11 ARG 97 -7.157 -11.237 6.270 783 HH12 ARG 97 HH12 ARG 97 -8.774 -10.718 5.920 784 HH21 ARG 97 HH21 ARG 97 -8.677 -7.962 8.087 785 HH22 ARG 97 HH22 ARG 97 -9.636 -8.851 6.943 786 H LYS 98 HN LYS 98 -3.291 -9.611 3.395 787 HA LYS 98 HA LYS 98 -1.290 -11.491 4.149 788 HB2 LYS 98 HB2 LYS 98 -3.217 -11.972 2.656 789 HB3 LYS 98 HB1 LYS 98 -2.487 -10.956 1.427 790 HG2 LYS 98 HG2 LYS 98 -0.566 -12.479 1.328 791 HG3 LYS 98 HG1 LYS 98 -1.322 -13.490 2.556 792 HD2 LYS 98 HD2 LYS 98 -3.213 -13.888 1.072 793 HD3 LYS 98 HD1 LYS 98 -2.479 -12.855 -0.152 794 HE2 LYS 98 HE2 LYS 98 -0.643 -14.348 -0.409 795 HE3 LYS 98 HE1 LYS 98 -1.179 -15.330 0.953 796 HZ1 LYS 98 HZ1 LYS 98 -2.770 -14.956 -1.525 797 HZ2 LYS 98 HZ2 LYS 98 -3.070 -16.045 -0.268 798 HZ3 LYS 98 HZ3 LYS 98 -1.726 -16.262 -1.267 799 H LEU 99 HN LEU 99 -1.358 -8.764 1.874 800 HA LEU 99 HA LEU 99 1.358 -8.874 1.134 801 HB2 LEU 99 HB2 LEU 99 -0.756 -6.798 1.036 802 HB3 LEU 99 HB1 LEU 99 0.897 -6.257 0.927 803 HG LEU 99 HG LEU 99 -0.774 -7.585 -1.095 804 HD11 LEU 99 HD11 LEU 99 1.767 -6.050 -1.383 805 HD12 LEU 99 HD12 LEU 99 0.216 -5.264 -1.095 806 HD13 LEU 99 HD13 LEU 99 0.463 -6.230 -2.551 807 HD21 LEU 99 HD21 LEU 99 2.154 -8.254 -0.999 808 HD22 LEU 99 HD22 LEU 99 0.961 -8.784 -2.183 809 HD23 LEU 99 HD23 LEU 99 0.886 -9.391 -0.531 810 H GLN 100 HN GLN 100 -0.268 -7.565 3.937 811 HA GLN 100 HA GLN 100 1.844 -6.059 5.006 812 HB2 GLN 100 HB2 GLN 100 -0.479 -6.066 5.905 813 HB3 GLN 100 HB1 GLN 100 -0.219 -7.694 6.516 814 HG2 GLN 100 HG2 GLN 100 0.011 -6.138 8.313 815 HG3 GLN 100 HG1 GLN 100 1.594 -6.822 7.950 816 HE21 GLN 100 HE21 GLN 100 -0.406 -3.985 7.808 817 HE22 GLN 100 HE22 GLN 100 0.864 -2.859 7.489 818 H ASP 101 HN ASP 101 1.070 -9.495 5.164 819 HA ASP 101 HA ASP 101 3.034 -10.261 7.010 820 HB2 ASP 101 HB2 ASP 101 1.219 -11.765 6.404 821 HB3 ASP 101 HB1 ASP 101 1.818 -11.862 4.750 822 H VAL 102 HN VAL 102 3.151 -10.292 3.435 823 HA VAL 102 HA VAL 102 5.815 -11.219 3.309 824 HB VAL 102 HB VAL 102 4.623 -11.481 1.308 825 HG11 VAL 102 HG11 VAL 102 3.768 -9.493 0.031 826 HG12 VAL 102 HG12 VAL 102 3.916 -8.594 1.536 827 HG13 VAL 102 HG13 VAL 102 2.850 -9.996 1.444 828 HG21 VAL 102 HG21 VAL 102 6.052 -9.155 0.262 829 HG22 VAL 102 HG22 VAL 102 6.199 -10.866 -0.158 830 HG23 VAL 102 HG23 VAL 102 7.031 -10.232 1.263 831 H PHE 103 HN PHE 103 4.555 -7.906 2.908 832 HA PHE 103 HA PHE 103 7.020 -6.650 2.641 833 HB2 PHE 103 HB2 PHE 103 5.319 -5.237 2.080 834 HB3 PHE 103 HB1 PHE 103 4.299 -5.725 3.430 835 HD1 PHE 103 HD1 PHE 103 7.604 -4.069 2.881 836 HD2 PHE 103 HD2 PHE 103 3.942 -4.085 5.085 837 HE1 PHE 103 HE1 PHE 103 8.329 -2.074 4.117 838 HE2 PHE 103 HE2 PHE 103 4.679 -2.096 6.311 839 HZ PHE 103 HZ PHE 103 6.869 -1.088 5.836 840 H GLU 104 HN GLU 104 5.274 -7.493 5.629 841 HA GLU 104 HA GLU 104 7.071 -5.985 7.265 842 HB2 GLU 104 HB2 GLU 104 5.840 -6.649 9.097 843 HB3 GLU 104 HB1 GLU 104 4.647 -6.782 7.818 844 HG2 GLU 104 HG2 GLU 104 4.929 -9.179 7.746 845 HG3 GLU 104 HG1 GLU 104 6.249 -9.087 8.910 846 H PHE 105 HN PHE 105 7.032 -9.231 6.015 847 HA PHE 105 HA PHE 105 9.133 -10.202 7.703 848 HB2 PHE 105 HB2 PHE 105 7.509 -11.667 6.430 849 HB3 PHE 105 HB1 PHE 105 8.368 -11.229 4.959 850 HD1 PHE 105 HD1 PHE 105 8.456 -13.181 8.024 851 HD2 PHE 105 HD2 PHE 105 10.655 -12.046 4.557 852 HE1 PHE 105 HE1 PHE 105 10.042 -15.017 8.430 853 HE2 PHE 105 HE2 PHE 105 12.238 -13.881 4.958 854 HZ PHE 105 HZ PHE 105 11.934 -15.369 6.896 855 H ARG 106 HN ARG 106 8.905 -8.693 4.537 856 HA ARG 106 HA ARG 106 11.592 -9.038 3.775 857 HB2 ARG 106 HB2 ARG 106 9.579 -6.963 2.906 858 HB3 ARG 106 HB1 ARG 106 11.123 -7.256 2.140 859 HG2 ARG 106 HG2 ARG 106 8.984 -9.294 2.382 860 HG3 ARG 106 HG1 ARG 106 9.257 -8.261 0.970 861 HD2 ARG 106 HD2 ARG 106 11.091 -10.310 2.157 862 HD3 ARG 106 HD1 ARG 106 10.378 -10.238 0.573 863 HE ARG 106 HE ARG 106 11.830 -8.051 0.492 864 HH11 ARG 106 HH11 ARG 106 12.631 -11.282 1.565 865 HH12 ARG 106 HH12 ARG 106 14.307 -11.145 1.138 866 HH21 ARG 106 HH21 ARG 106 14.038 -7.871 -0.096 867 HH22 ARG 106 HH22 ARG 106 15.109 -9.205 0.199 868 H TYR 107 HN TYR 107 9.907 -6.470 5.516 869 HA TYR 107 HA TYR 107 12.256 -4.831 5.703 870 HB2 TYR 107 HB2 TYR 107 9.902 -3.930 5.774 871 HB3 TYR 107 HB1 TYR 107 9.763 -4.593 7.402 872 HD1 TYR 107 HD1 TYR 107 11.294 -1.974 5.342 873 HD2 TYR 107 HD2 TYR 107 11.004 -3.617 9.257 874 HE1 TYR 107 HE1 TYR 107 12.340 0.046 6.264 875 HE2 TYR 107 HE2 TYR 107 12.042 -1.594 10.184 876 HH TYR 107 HH TYR 107 13.525 0.225 9.427 877 H ALA 108 HN ALA 108 10.698 -7.225 7.776 878 HA ALA 108 HA ALA 108 12.301 -6.762 10.066 879 HB1 ALA 108 HB1 ALA 108 10.184 -8.032 10.101 880 HB2 ALA 108 HB2 ALA 108 11.520 -8.915 10.840 881 HB3 ALA 108 HB3 ALA 108 10.977 -9.335 9.216 882 H LYS 109 HN LYS 109 12.689 -8.713 7.192 883 HA LYS 109 HA LYS 109 15.119 -9.966 8.074 884 HB2 LYS 109 HB2 LYS 109 13.501 -10.969 6.475 885 HB3 LYS 109 HB1 LYS 109 13.957 -9.754 5.290 886 HG2 LYS 109 HG2 LYS 109 16.281 -10.608 5.365 887 HG3 LYS 109 HG1 LYS 109 15.742 -11.881 6.458 888 HD2 LYS 109 HD2 LYS 109 14.306 -12.814 4.752 889 HD3 LYS 109 HD1 LYS 109 14.627 -11.446 3.684 890 HE2 LYS 109 HE2 LYS 109 16.666 -13.450 4.638 891 HE3 LYS 109 HE1 LYS 109 15.872 -13.467 3.065 892 HZ1 LYS 109 HZ1 LYS 109 16.863 -11.288 2.613 893 HZ2 LYS 109 HZ2 LYS 109 18.038 -12.468 2.890 894 HZ3 LYS 109 HZ3 LYS 109 17.675 -11.343 4.096 895 H MET 110 HN MET 110 14.214 -7.026 6.547 896 HA MET 110 HA MET 110 16.775 -6.335 5.492 897 HB2 MET 110 HB2 MET 110 14.919 -5.163 4.571 898 HB3 MET 110 HB1 MET 110 14.306 -4.726 6.158 899 HG2 MET 110 HG2 MET 110 16.974 -3.696 5.367 900 HG3 MET 110 HG1 MET 110 15.556 -2.982 4.611 901 HE1 MET 110 HE1 MET 110 16.143 -0.690 5.483 902 HE2 MET 110 HE2 MET 110 17.577 -1.211 6.373 903 HE3 MET 110 HE3 MET 110 16.346 -0.233 7.176 904 HA PRO 111 HA PRO 111 18.432 -5.299 9.510 905 HB2 PRO 111 HB2 PRO 111 21.005 -5.117 8.775 906 HB3 PRO 111 HB1 PRO 111 20.181 -6.673 8.917 907 HG2 PRO 111 HG2 PRO 111 20.929 -5.142 6.490 908 HG3 PRO 111 HG1 PRO 111 20.819 -6.891 6.727 909 HD2 PRO 111 HD2 PRO 111 18.902 -5.235 5.499 910 HD3 PRO 111 HD1 PRO 111 18.676 -6.932 6.004 911 H ASP 112 HN ASP 112 19.142 -3.466 10.548 912 HA ASP 112 HA ASP 112 19.649 -1.080 8.905 913 HB2 ASP 112 HB2 ASP 112 17.355 -0.920 9.713 914 HB3 ASP 112 HB1 ASP 112 17.883 -1.246 11.360 915 H1 HIS 281 HT1 HIS 281 -25.640 2.875 0.802 916 H2 HIS 281 HT2 HIS 281 -26.017 2.111 2.261 917 H3 HIS 281 HT3 HIS 281 -25.103 1.302 1.096 918 HA HIS 281 HA HIS 281 -23.717 2.087 2.909 919 HB2 HIS 281 HB2 HIS 281 -23.276 3.588 0.313 920 HB3 HIS 281 HB1 HIS 281 -22.056 3.302 1.547 921 HD1 HIS 281 HD1 HIS 281 -23.090 2.036 -1.588 922 HD2 HIS 281 HD2 HIS 281 -21.806 0.287 1.956 923 HE1 HIS 281 HE1 HIS 281 -22.357 -0.284 -2.208 924 HE2 HIS 281 HE2 HIS 281 -21.833 -1.392 -0.011 925 H ASN 282 HN ASN 282 -25.344 3.260 4.262 926 HA ASN 282 HA ASN 282 -25.928 5.995 3.692 927 HB2 ASN 282 HB2 ASN 282 -26.333 4.358 6.198 928 HB3 ASN 282 HB1 ASN 282 -26.892 6.013 6.009 929 HD21 ASN 282 HD21 ASN 282 -29.034 5.486 6.248 930 HD22 ASN 282 HD22 ASN 282 -29.922 4.619 5.044 931 H LEU 283 HN LEU 283 -24.147 4.546 6.422 932 HA LEU 283 HA LEU 283 -23.041 6.992 7.289 933 HB2 LEU 283 HB2 LEU 283 -22.135 4.153 7.763 934 HB3 LEU 283 HB1 LEU 283 -21.467 5.546 8.588 935 HG LEU 283 HG LEU 283 -24.354 4.672 8.763 936 HD11 LEU 283 HD11 LEU 283 -22.084 4.332 10.721 937 HD12 LEU 283 HD12 LEU 283 -22.867 3.045 9.803 938 HD13 LEU 283 HD13 LEU 283 -23.776 3.935 11.023 939 HD21 LEU 283 HD21 LEU 283 -22.788 6.754 10.285 940 HD22 LEU 283 HD22 LEU 283 -24.444 6.257 10.635 941 HD23 LEU 283 HD23 LEU 283 -24.069 7.059 9.112 942 H LEU 284 HN LEU 284 -21.400 4.244 5.731 943 HA LEU 284 HA LEU 284 -19.677 6.140 4.323 944 HB2 LEU 284 HB2 LEU 284 -18.797 3.954 6.176 945 HB3 LEU 284 HB1 LEU 284 -17.784 4.422 4.826 946 HG LEU 284 HG LEU 284 -18.685 6.265 7.043 947 HD11 LEU 284 HD11 LEU 284 -16.341 6.195 7.740 948 HD12 LEU 284 HD12 LEU 284 -16.006 4.997 6.491 949 HD13 LEU 284 HD13 LEU 284 -17.087 4.601 7.826 950 HD21 LEU 284 HD21 LEU 284 -16.848 6.675 4.693 951 HD22 LEU 284 HD22 LEU 284 -17.000 7.791 6.048 952 HD23 LEU 284 HD23 LEU 284 -18.383 7.489 4.996 953 H ARG 285 HN ARG 285 -18.261 4.909 2.741 954 HA ARG 285 HA ARG 285 -19.847 2.802 1.450 955 HB2 ARG 285 HB2 ARG 285 -17.936 4.861 0.366 956 HB3 ARG 285 HB1 ARG 285 -18.369 3.437 -0.571 957 HG2 ARG 285 HG2 ARG 285 -19.781 5.145 -1.333 958 HG3 ARG 285 HG1 ARG 285 -20.785 4.164 -0.266 959 HD2 ARG 285 HD2 ARG 285 -20.228 5.807 1.566 960 HD3 ARG 285 HD1 ARG 285 -19.514 6.829 0.319 961 HE ARG 285 HE ARG 285 -22.137 6.128 -0.435 962 HH11 ARG 285 HH11 ARG 285 -20.409 8.165 1.821 963 HH12 ARG 285 HH12 ARG 285 -21.736 9.249 2.062 964 HH21 ARG 285 HH21 ARG 285 -23.882 7.557 -0.143 965 HH22 ARG 285 HH22 ARG 285 -23.716 8.914 0.928 966 H ILE 286 HN ILE 286 -18.557 1.058 0.416 967 HA ILE 286 HA ILE 286 -16.248 0.457 2.147 968 HB ILE 286 HB ILE 286 -16.868 -1.930 1.946 969 HG12 ILE 286 HG12 ILE 286 -19.390 -0.859 0.653 970 HG13 ILE 286 HG11 ILE 286 -18.128 -1.764 -0.175 971 HG21 ILE 286 HG21 ILE 286 -18.781 -1.842 3.479 972 HG22 ILE 286 HG22 ILE 286 -19.025 -0.145 3.066 973 HG23 ILE 286 HG23 ILE 286 -17.552 -0.646 3.895 974 HD11 ILE 286 HD11 ILE 286 -18.602 -3.701 1.239 975 HD12 ILE 286 HD12 ILE 286 -20.023 -3.180 0.333 976 HD13 ILE 286 HD13 ILE 286 -19.877 -2.790 2.048 977 HH31 ALY 287 HH1 ALY 287 -6.814 0.965 -1.564 978 HH32 ALY 287 HH2 ALY 287 -6.783 1.466 0.128 979 HH33 ALY 287 HH3 ALY 287 -7.163 -0.206 -0.288 980 HZ ALY 287 HZ1 ALY 287 -9.122 -0.142 -2.112 981 HE3 ALY 287 HE2 ALY 287 -11.093 1.856 -1.921 982 HE2 ALY 287 HE1 ALY 287 -11.462 0.554 -0.790 983 HD3 ALY 287 HD2 ALY 287 -11.487 -1.058 -2.585 984 HD2 ALY 287 HD1 ALY 287 -10.980 0.176 -3.742 985 HG3 ALY 287 HG2 ALY 287 -13.387 -0.311 -3.866 986 HG2 ALY 287 HG1 ALY 287 -13.045 1.368 -3.461 987 HB3 ALY 287 HB2 ALY 287 -13.460 0.875 -1.100 988 HB2 ALY 287 HB1 ALY 287 -13.814 -0.793 -1.519 989 HCA ALY 287 HA ALY 287 -15.363 1.533 -2.609 990 H ALY 287 HN ALY 287 -16.591 1.548 -0.702 991 H GLN 288 HN GLN 288 -15.784 0.737 -4.581 992 HA GLN 288 HA GLN 288 -17.536 -1.551 -4.745 993 HB2 GLN 288 HB2 GLN 288 -17.840 0.629 -6.022 994 HB3 GLN 288 HB1 GLN 288 -16.494 0.123 -7.031 995 HG2 GLN 288 HG2 GLN 288 -18.449 -0.456 -8.198 996 HG3 GLN 288 HG1 GLN 288 -17.801 -1.960 -7.546 997 HE21 GLN 288 HE21 GLN 288 -20.503 -1.319 -8.378 998 HE22 GLN 288 HE22 GLN 288 -21.514 -1.590 -7.001 999 H PHE 289 HN PHE 289 -15.426 -2.700 -3.889 1000 HA PHE 289 HA PHE 289 -14.005 -3.820 -6.218 1001 HB2 PHE 289 HB2 PHE 289 -13.146 -3.262 -3.419 1002 HB3 PHE 289 HB1 PHE 289 -12.474 -4.677 -4.216 1003 HD1 PHE 289 HD1 PHE 289 -13.289 -1.674 -6.159 1004 HD2 PHE 289 HD2 PHE 289 -10.257 -3.803 -4.077 1005 HE1 PHE 289 HE1 PHE 289 -11.573 -0.257 -7.211 1006 HE2 PHE 289 HE2 PHE 289 -8.538 -2.383 -5.112 1007 HZ PHE 289 HZ PHE 289 -9.194 -0.610 -6.688 1008 H LEU 290 HN LEU 290 -14.551 -5.807 -6.751 1009 HA LEU 290 HA LEU 290 -15.570 -7.837 -6.735 1010 HB2 LEU 290 HB2 LEU 290 -14.290 -7.814 -4.006 1011 HB3 LEU 290 HB1 LEU 290 -15.149 -9.210 -4.617 1012 HG LEU 290 HG LEU 290 -12.814 -9.580 -4.946 1013 HD11 LEU 290 HD11 LEU 290 -14.285 -10.324 -6.747 1014 HD12 LEU 290 HD12 LEU 290 -12.680 -9.900 -7.341 1015 HD13 LEU 290 HD13 LEU 290 -14.030 -8.793 -7.585 1016 HD21 LEU 290 HD21 LEU 290 -11.401 -8.086 -6.277 1017 HD22 LEU 290 HD22 LEU 290 -12.010 -7.295 -4.823 1018 HD23 LEU 290 HD23 LEU 290 -12.734 -6.937 -6.391 1019 H GLN 291 HN GLN 291 -17.416 -6.040 -6.537 1020 HA GLN 291 HA GLN 291 -18.968 -6.241 -4.114 1021 HB2 GLN 291 HB2 GLN 291 -18.803 -4.122 -5.365 1022 HB3 GLN 291 HB1 GLN 291 -19.603 -4.877 -6.735 1023 HG2 GLN 291 HG2 GLN 291 -21.114 -3.467 -5.424 1024 HG3 GLN 291 HG1 GLN 291 -21.628 -5.152 -5.462 1025 HE21 GLN 291 HE21 GLN 291 -22.855 -4.924 -3.612 1026 HE22 GLN 291 HE22 GLN 291 -22.148 -4.772 -2.040 1027 H SER 292 HN SER 292 -19.033 -8.636 -4.449 1028 HA SER 292 HA SER 292 -21.688 -9.288 -5.331 1029 HB2 SER 292 HB2 SER 292 -20.210 -9.563 -7.393 1030 HB3 SER 292 HB1 SER 292 -19.398 -10.867 -6.530 1031 HG SER 292 HG SER 292 -22.053 -10.725 -7.468 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 27.749 3.410 -3.926 2 H2 GLY 1 HT2 GLY 1 27.820 1.749 -4.236 3 H3 GLY 1 HT3 GLY 1 26.545 2.388 -3.332 4 HA2 GLY 1 HA1 GLY 1 27.079 2.947 -6.191 5 HA3 GLY 1 HA2 GLY 1 25.832 1.870 -5.579 6 H LYS 2 HN LYS 2 23.983 2.867 -6.083 7 HA LYS 2 HA LYS 2 23.605 5.595 -5.036 8 HB2 LYS 2 HB2 LYS 2 22.280 4.331 -7.442 9 HB3 LYS 2 HB1 LYS 2 21.893 5.913 -6.788 10 HG2 LYS 2 HG2 LYS 2 24.545 5.096 -7.950 11 HG3 LYS 2 HG1 LYS 2 23.315 6.071 -8.753 12 HD2 LYS 2 HD2 LYS 2 23.526 7.741 -6.928 13 HD3 LYS 2 HD1 LYS 2 24.858 6.792 -6.266 14 HE2 LYS 2 HE2 LYS 2 25.728 8.613 -7.600 15 HE3 LYS 2 HE1 LYS 2 26.080 7.074 -8.381 16 HZ1 LYS 2 HZ1 LYS 2 24.246 7.433 -9.886 17 HZ2 LYS 2 HZ2 LYS 2 25.291 8.759 -9.947 18 HZ3 LYS 2 HZ3 LYS 2 23.832 8.874 -9.103 19 H LEU 3 HN LEU 3 21.223 6.041 -4.601 20 HA LEU 3 HA LEU 3 19.370 5.642 -3.380 21 HB2 LEU 3 HB2 LEU 3 19.654 3.362 -5.128 22 HB3 LEU 3 HB1 LEU 3 18.830 2.967 -3.637 23 HG LEU 3 HG LEU 3 18.043 5.168 -5.520 24 HD11 LEU 3 HD11 LEU 3 17.086 2.350 -5.133 25 HD12 LEU 3 HD12 LEU 3 17.505 3.188 -6.630 26 HD13 LEU 3 HD13 LEU 3 16.018 3.598 -5.776 27 HD21 LEU 3 HD21 LEU 3 17.546 5.496 -3.071 28 HD22 LEU 3 HD22 LEU 3 16.513 4.062 -3.174 29 HD23 LEU 3 HD23 LEU 3 16.136 5.488 -4.141 30 H SER 4 HN SER 4 22.032 4.976 -2.316 31 HA SER 4 HA SER 4 23.049 4.151 -0.448 32 HB2 SER 4 HB2 SER 4 21.444 5.819 0.467 33 HB3 SER 4 HB1 SER 4 20.283 4.518 0.722 34 HG SER 4 HG SER 4 21.573 5.081 2.594 35 H GLU 5 HN GLU 5 22.338 2.620 1.656 36 HA GLU 5 HA GLU 5 22.043 0.013 0.421 37 HB2 GLU 5 HB2 GLU 5 22.751 0.917 3.207 38 HB3 GLU 5 HB1 GLU 5 22.468 -0.772 2.820 39 HG2 GLU 5 HG2 GLU 5 24.842 -0.244 2.837 40 HG3 GLU 5 HG1 GLU 5 24.307 -0.743 1.236 41 H GLN 6 HN GLN 6 20.458 1.889 2.986 42 HA GLN 6 HA GLN 6 18.394 0.057 3.533 43 HB2 GLN 6 HB2 GLN 6 18.492 3.063 3.844 44 HB3 GLN 6 HB1 GLN 6 17.148 2.079 4.399 45 HG2 GLN 6 HG2 GLN 6 18.757 2.754 6.169 46 HG3 GLN 6 HG1 GLN 6 18.487 1.017 6.044 47 HE21 GLN 6 HE21 GLN 6 20.178 -0.303 5.452 48 HE22 GLN 6 HE22 GLN 6 21.809 0.257 5.347 49 H LEU 7 HN LEU 7 18.594 2.782 1.281 50 HA LEU 7 HA LEU 7 15.860 2.556 0.490 51 HB2 LEU 7 HB2 LEU 7 18.148 4.123 -0.672 52 HB3 LEU 7 HB1 LEU 7 16.496 4.255 -1.239 53 HG LEU 7 HG LEU 7 17.381 4.871 1.572 54 HD11 LEU 7 HD11 LEU 7 18.389 6.391 -0.081 55 HD12 LEU 7 HD12 LEU 7 17.211 7.208 0.949 56 HD13 LEU 7 HD13 LEU 7 16.778 6.758 -0.701 57 HD21 LEU 7 HD21 LEU 7 15.093 4.322 1.601 58 HD22 LEU 7 HD22 LEU 7 14.786 5.195 0.101 59 HD23 LEU 7 HD23 LEU 7 15.166 6.083 1.576 60 H LYS 8 HN LYS 8 18.950 1.398 -0.864 61 HA LYS 8 HA LYS 8 17.851 0.444 -3.274 62 HB2 LYS 8 HB2 LYS 8 20.259 0.569 -2.901 63 HB3 LYS 8 HB1 LYS 8 20.137 -0.642 -1.639 64 HG2 LYS 8 HG2 LYS 8 21.014 -1.580 -3.704 65 HG3 LYS 8 HG1 LYS 8 19.470 -2.311 -3.265 66 HD2 LYS 8 HD2 LYS 8 19.611 -1.835 -5.670 67 HD3 LYS 8 HD1 LYS 8 18.318 -0.924 -4.893 68 HE2 LYS 8 HE2 LYS 8 19.637 1.070 -4.895 69 HE3 LYS 8 HE1 LYS 8 21.061 0.191 -5.460 70 HZ1 LYS 8 HZ1 LYS 8 20.020 1.377 -7.274 71 HZ2 LYS 8 HZ2 LYS 8 18.544 0.602 -6.991 72 HZ3 LYS 8 HZ3 LYS 8 19.874 -0.289 -7.528 73 H HIS 9 HN HIS 9 17.951 -0.886 -0.034 74 HA HIS 9 HA HIS 9 16.867 -3.415 -0.764 75 HB2 HIS 9 HB2 HIS 9 18.108 -2.653 1.434 76 HB3 HIS 9 HB1 HIS 9 16.477 -2.272 1.975 77 HD1 HIS 9 HD1 HIS 9 18.814 -4.875 2.207 78 HD2 HIS 9 HD2 HIS 9 14.740 -4.766 1.399 79 HE1 HIS 9 HE1 HIS 9 17.959 -7.179 2.735 80 HE2 HIS 9 HE2 HIS 9 15.532 -7.137 2.056 81 H CYS 10 HN CYS 10 15.478 -0.300 0.202 82 HA CYS 10 HA CYS 10 12.819 -1.310 0.415 83 HB2 CYS 10 HB2 CYS 10 12.072 0.935 0.630 84 HB3 CYS 10 HB1 CYS 10 13.633 0.865 1.452 85 HG CYS 10 HG CYS 10 14.417 1.779 -1.497 86 H ASN 11 HN ASN 11 14.799 -0.110 -2.184 87 HA ASN 11 HA ASN 11 12.794 0.208 -4.137 88 HB2 ASN 11 HB2 ASN 11 15.087 1.044 -4.436 89 HB3 ASN 11 HB1 ASN 11 15.699 -0.604 -4.453 90 HD21 ASN 11 HD21 ASN 11 15.506 -1.829 -6.285 91 HD22 ASN 11 HD22 ASN 11 14.970 -1.188 -7.797 92 H GLY 12 HN GLY 12 14.684 -2.577 -3.085 93 HA2 GLY 12 HA2 GLY 12 13.712 -4.351 -5.102 94 HA3 GLY 12 HA1 GLY 12 14.575 -4.810 -3.639 95 H ILE 13 HN ILE 13 12.830 -3.758 -1.727 96 HA ILE 13 HA ILE 13 10.923 -5.794 -1.462 97 HB ILE 13 HB ILE 13 11.097 -3.108 -0.121 98 HG12 ILE 13 HG12 ILE 13 11.718 -5.850 0.959 99 HG13 ILE 13 HG11 ILE 13 12.939 -4.787 0.279 100 HG21 ILE 13 HG21 ILE 13 9.118 -5.261 0.169 101 HG22 ILE 13 HG22 ILE 13 8.901 -3.520 0.270 102 HG23 ILE 13 HG23 ILE 13 9.625 -4.403 1.616 103 HD11 ILE 13 HD11 ILE 13 11.367 -4.500 2.807 104 HD12 ILE 13 HD12 ILE 13 12.152 -3.111 2.057 105 HD13 ILE 13 HD13 ILE 13 13.115 -4.494 2.579 106 H LEU 14 HN LEU 14 10.495 -2.382 -2.354 107 HA LEU 14 HA LEU 14 7.764 -2.373 -2.834 108 HB2 LEU 14 HB2 LEU 14 9.799 -0.559 -3.075 109 HB3 LEU 14 HB1 LEU 14 9.377 -0.841 -4.748 110 HG LEU 14 HG LEU 14 7.382 -0.038 -2.650 111 HD11 LEU 14 HD11 LEU 14 9.114 1.553 -4.501 112 HD12 LEU 14 HD12 LEU 14 8.894 1.744 -2.756 113 HD13 LEU 14 HD13 LEU 14 7.593 2.189 -3.864 114 HD21 LEU 14 HD21 LEU 14 6.750 -1.172 -4.949 115 HD22 LEU 14 HD22 LEU 14 7.105 0.441 -5.572 116 HD23 LEU 14 HD23 LEU 14 5.867 0.232 -4.347 117 H LYS 15 HN LYS 15 10.412 -3.004 -5.091 118 HA LYS 15 HA LYS 15 9.010 -3.487 -7.396 119 HB2 LYS 15 HB2 LYS 15 11.193 -3.482 -7.916 120 HB3 LYS 15 HB1 LYS 15 11.656 -4.074 -6.328 121 HG2 LYS 15 HG2 LYS 15 12.339 -5.735 -7.802 122 HG3 LYS 15 HG1 LYS 15 10.844 -6.319 -7.104 123 HD2 LYS 15 HD2 LYS 15 9.614 -5.717 -9.076 124 HD3 LYS 15 HD1 LYS 15 11.050 -4.965 -9.781 125 HE2 LYS 15 HE2 LYS 15 12.033 -6.966 -10.258 126 HE3 LYS 15 HE1 LYS 15 11.242 -7.792 -8.919 127 HZ1 LYS 15 HZ1 LYS 15 10.426 -8.503 -11.109 128 HZ2 LYS 15 HZ2 LYS 15 9.882 -6.931 -11.417 129 HZ3 LYS 15 HZ3 LYS 15 9.196 -7.833 -10.160 130 H GLU 16 HN GLU 16 9.626 -5.607 -4.696 131 HA GLU 16 HA GLU 16 8.774 -7.964 -6.056 132 HB2 GLU 16 HB2 GLU 16 10.312 -8.119 -4.147 133 HB3 GLU 16 HB1 GLU 16 9.086 -7.438 -3.084 134 HG2 GLU 16 HG2 GLU 16 7.680 -9.500 -3.850 135 HG3 GLU 16 HG1 GLU 16 9.245 -10.171 -4.277 136 H LEU 17 HN LEU 17 7.274 -5.821 -3.679 137 HA LEU 17 HA LEU 17 4.767 -7.137 -3.553 138 HB2 LEU 17 HB2 LEU 17 5.405 -4.204 -3.141 139 HB3 LEU 17 HB1 LEU 17 3.943 -5.007 -2.621 140 HG LEU 17 HG LEU 17 6.612 -5.922 -1.601 141 HD11 LEU 17 HD11 LEU 17 6.419 -3.486 -1.262 142 HD12 LEU 17 HD12 LEU 17 6.418 -4.395 0.246 143 HD13 LEU 17 HD13 LEU 17 4.908 -3.747 -0.398 144 HD21 LEU 17 HD21 LEU 17 4.674 -7.347 -1.153 145 HD22 LEU 17 HD22 LEU 17 3.815 -5.975 -0.464 146 HD23 LEU 17 HD23 LEU 17 5.258 -6.599 0.330 147 H LEU 18 HN LEU 18 6.237 -5.091 -5.899 148 HA LEU 18 HA LEU 18 3.748 -4.520 -7.296 149 HB2 LEU 18 HB2 LEU 18 6.612 -3.788 -7.823 150 HB3 LEU 18 HB1 LEU 18 5.311 -3.411 -8.931 151 HG LEU 18 HG LEU 18 5.615 -2.407 -6.110 152 HD11 LEU 18 HD11 LEU 18 7.090 -1.225 -7.516 153 HD12 LEU 18 HD12 LEU 18 5.658 -0.203 -7.345 154 HD13 LEU 18 HD13 LEU 18 5.897 -1.143 -8.816 155 HD21 LEU 18 HD21 LEU 18 3.606 -1.212 -6.402 156 HD22 LEU 18 HD22 LEU 18 3.249 -2.878 -6.799 157 HD23 LEU 18 HD23 LEU 18 3.464 -1.690 -8.084 158 H SER 19 HN SER 19 6.030 -6.974 -7.241 159 HA SER 19 HA SER 19 6.037 -7.658 -10.015 160 HB2 SER 19 HB2 SER 19 6.805 -9.270 -7.573 161 HB3 SER 19 HB1 SER 19 7.108 -9.758 -9.239 162 HG SER 19 HG SER 19 8.009 -7.272 -8.238 163 H LYS 20 HN LYS 20 5.048 -9.395 -11.024 164 HA LYS 20 HA LYS 20 2.311 -9.598 -10.587 165 HB2 LYS 20 HB2 LYS 20 4.197 -11.200 -12.292 166 HB3 LYS 20 HB1 LYS 20 2.463 -11.503 -12.272 167 HG2 LYS 20 HG2 LYS 20 3.605 -8.792 -12.829 168 HG3 LYS 20 HG1 LYS 20 3.325 -9.979 -14.104 169 HD2 LYS 20 HD2 LYS 20 0.961 -10.048 -13.529 170 HD3 LYS 20 HD1 LYS 20 1.234 -8.924 -12.200 171 HE2 LYS 20 HE2 LYS 20 0.294 -7.767 -14.115 172 HE3 LYS 20 HE1 LYS 20 1.934 -7.210 -13.802 173 HZ1 LYS 20 HZ1 LYS 20 1.101 -9.132 -15.904 174 HZ2 LYS 20 HZ2 LYS 20 2.703 -8.691 -15.581 175 HZ3 LYS 20 HZ3 LYS 20 1.606 -7.534 -16.143 176 H LYS 21 HN LYS 21 4.897 -11.478 -9.334 177 HA LYS 21 HA LYS 21 3.685 -13.814 -8.512 178 HB2 LYS 21 HB2 LYS 21 6.034 -13.462 -8.189 179 HB3 LYS 21 HB1 LYS 21 5.747 -12.077 -7.158 180 HG2 LYS 21 HG2 LYS 21 4.760 -13.546 -5.470 181 HG3 LYS 21 HG1 LYS 21 5.097 -14.942 -6.488 182 HD2 LYS 21 HD2 LYS 21 7.530 -14.129 -6.451 183 HD3 LYS 21 HD1 LYS 21 7.019 -13.134 -5.081 184 HE2 LYS 21 HE2 LYS 21 6.089 -15.222 -4.059 185 HE3 LYS 21 HE1 LYS 21 6.904 -16.127 -5.329 186 HZ1 LYS 21 HZ1 LYS 21 9.017 -15.177 -4.573 187 HZ2 LYS 21 HZ2 LYS 21 8.262 -16.082 -3.366 188 HZ3 LYS 21 HZ3 LYS 21 8.215 -14.395 -3.303 189 H HIS 22 HN HIS 22 3.482 -10.590 -7.086 190 HA HIS 22 HA HIS 22 1.679 -11.664 -5.018 191 HB2 HIS 22 HB2 HIS 22 3.224 -9.047 -5.070 192 HB3 HIS 22 HB1 HIS 22 2.115 -9.537 -3.781 193 HD1 HIS 22 HD1 HIS 22 2.875 -11.701 -2.360 194 HD2 HIS 22 HD2 HIS 22 5.772 -10.002 -4.822 195 HE1 HIS 22 HE1 HIS 22 5.065 -12.604 -1.522 196 HE2 HIS 22 HE2 HIS 22 6.805 -11.290 -2.804 197 H ALA 23 HN ALA 23 1.767 -9.911 -7.891 198 HA ALA 23 HA ALA 23 -0.004 -7.839 -7.638 199 HB1 ALA 23 HB1 ALA 23 1.303 -8.382 -9.639 200 HB2 ALA 23 HB2 ALA 23 -0.383 -8.011 -10.000 201 HB3 ALA 23 HB3 ALA 23 0.173 -9.687 -10.001 202 H ALA 24 HN ALA 24 -0.756 -11.243 -7.885 203 HA ALA 24 HA ALA 24 -3.463 -11.176 -8.489 204 HB1 ALA 24 HB1 ALA 24 -1.848 -13.079 -6.805 205 HB2 ALA 24 HB2 ALA 24 -2.309 -13.248 -8.501 206 HB3 ALA 24 HB3 ALA 24 -3.535 -13.364 -7.239 207 H TYR 25 HN TYR 25 -1.850 -10.290 -5.559 208 HA TYR 25 HA TYR 25 -4.425 -9.514 -4.429 209 HB2 TYR 25 HB2 TYR 25 -3.531 -10.319 -2.139 210 HB3 TYR 25 HB1 TYR 25 -4.158 -11.527 -3.257 211 HD1 TYR 25 HD1 TYR 25 -0.964 -9.983 -2.115 212 HD2 TYR 25 HD2 TYR 25 -2.878 -13.375 -3.814 213 HE1 TYR 25 HE1 TYR 25 1.126 -11.263 -1.929 214 HE2 TYR 25 HE2 TYR 25 -0.785 -14.651 -3.646 215 HH TYR 25 HH TYR 25 1.569 -14.320 -3.434 216 H ALA 26 HN ALA 26 -1.948 -8.262 -5.667 217 HA ALA 26 HA ALA 26 -1.329 -6.387 -3.473 218 HB1 ALA 26 HB1 ALA 26 0.664 -7.622 -4.230 219 HB2 ALA 26 HB2 ALA 26 0.785 -5.901 -4.598 220 HB3 ALA 26 HB3 ALA 26 0.380 -7.044 -5.873 221 H TRP 27 HN TRP 27 -2.869 -6.710 -6.485 222 HA TRP 27 HA TRP 27 -2.266 -4.306 -7.721 223 HB2 TRP 27 HB2 TRP 27 -4.381 -4.537 -8.973 224 HB3 TRP 27 HB1 TRP 27 -3.435 -6.016 -8.941 225 HD1 TRP 27 HD1 TRP 27 -4.484 -8.111 -7.688 226 HE1 TRP 27 HE1 TRP 27 -6.875 -8.648 -6.919 227 HE3 TRP 27 HE3 TRP 27 -6.521 -3.421 -8.010 228 HZ2 TRP 27 HZ2 TRP 27 -9.306 -7.274 -6.517 229 HZ3 TRP 27 HZ3 TRP 27 -8.887 -3.129 -7.425 230 HH2 TRP 27 HH2 TRP 27 -10.252 -5.015 -6.689 231 HA PRO 28 HA PRO 28 -6.068 -2.319 -5.188 232 HB2 PRO 28 HB2 PRO 28 -5.436 -2.922 -2.487 233 HB3 PRO 28 HB1 PRO 28 -6.909 -3.351 -3.352 234 HG2 PRO 28 HG2 PRO 28 -4.572 -4.995 -2.682 235 HG3 PRO 28 HG1 PRO 28 -6.213 -5.497 -3.125 236 HD2 PRO 28 HD2 PRO 28 -4.028 -5.780 -4.759 237 HD3 PRO 28 HD1 PRO 28 -5.692 -5.659 -5.348 238 H PHE 29 HN PHE 29 -2.713 -2.809 -4.573 239 HA PHE 29 HA PHE 29 -2.543 -0.164 -3.273 240 HB2 PHE 29 HB2 PHE 29 -0.310 -2.133 -3.073 241 HB3 PHE 29 HB1 PHE 29 -0.820 -0.887 -1.932 242 HD1 PHE 29 HD1 PHE 29 -0.774 -4.326 -2.593 243 HD2 PHE 29 HD2 PHE 29 -3.209 -1.279 -0.882 244 HE1 PHE 29 HE1 PHE 29 -2.013 -6.024 -1.332 245 HE2 PHE 29 HE2 PHE 29 -4.449 -2.983 0.386 246 HZ PHE 29 HZ PHE 29 -3.849 -5.359 0.151 247 H TYR 30 HN TYR 30 -1.772 -1.845 -6.100 248 HA TYR 30 HA TYR 30 0.634 -0.710 -6.898 249 HB2 TYR 30 HB2 TYR 30 -1.778 -1.615 -8.445 250 HB3 TYR 30 HB1 TYR 30 -0.404 -0.890 -9.272 251 HD1 TYR 30 HD1 TYR 30 0.328 -2.778 -6.313 252 HD2 TYR 30 HD2 TYR 30 -0.205 -3.088 -10.509 253 HE1 TYR 30 HE1 TYR 30 1.489 -4.933 -6.286 254 HE2 TYR 30 HE2 TYR 30 0.947 -5.260 -10.497 255 HH TYR 30 HH TYR 30 1.851 -6.826 -7.492 256 H LYS 31 HN LYS 31 -2.639 0.553 -7.477 257 HA LYS 31 HA LYS 31 -1.496 3.236 -7.730 258 HB2 LYS 31 HB2 LYS 31 -3.421 1.867 -9.604 259 HB3 LYS 31 HB1 LYS 31 -3.263 3.618 -9.549 260 HG2 LYS 31 HG2 LYS 31 -0.889 3.409 -10.120 261 HG3 LYS 31 HG1 LYS 31 -1.075 1.660 -10.199 262 HD2 LYS 31 HD2 LYS 31 -2.864 2.065 -11.948 263 HD3 LYS 31 HD1 LYS 31 -2.320 3.743 -11.975 264 HE2 LYS 31 HE2 LYS 31 -1.237 2.561 -13.759 265 HE3 LYS 31 HE1 LYS 31 -0.036 2.936 -12.523 266 HZ1 LYS 31 HZ1 LYS 31 0.169 0.662 -13.353 267 HZ2 LYS 31 HZ2 LYS 31 -1.402 0.317 -12.839 268 HZ3 LYS 31 HZ3 LYS 31 -0.203 0.682 -11.705 269 HA PRO 32 HA PRO 32 -4.695 4.591 -4.973 270 HB2 PRO 32 HB2 PRO 32 -5.830 6.700 -6.383 271 HB3 PRO 32 HB1 PRO 32 -4.381 6.819 -5.382 272 HG2 PRO 32 HG2 PRO 32 -4.617 6.475 -8.342 273 HG3 PRO 32 HG1 PRO 32 -3.493 7.487 -7.416 274 HD2 PRO 32 HD2 PRO 32 -2.687 5.178 -8.461 275 HD3 PRO 32 HD1 PRO 32 -2.142 5.673 -6.846 276 H VAL 33 HN VAL 33 -6.859 4.264 -4.560 277 HA VAL 33 HA VAL 33 -8.270 2.613 -6.386 278 HB VAL 33 HB VAL 33 -9.762 2.205 -4.724 279 HG11 VAL 33 HG11 VAL 33 -7.604 1.842 -3.743 280 HG12 VAL 33 HG12 VAL 33 -8.751 2.367 -2.514 281 HG13 VAL 33 HG13 VAL 33 -7.558 3.500 -3.151 282 HG21 VAL 33 HG21 VAL 33 -11.120 3.949 -4.368 283 HG22 VAL 33 HG22 VAL 33 -9.795 5.118 -4.339 284 HG23 VAL 33 HG23 VAL 33 -10.147 4.147 -2.908 285 H ASP 34 HN ASP 34 -10.178 3.040 -7.519 286 HA ASP 34 HA ASP 34 -10.294 5.797 -8.471 287 HB2 ASP 34 HB2 ASP 34 -11.641 3.297 -9.531 288 HB3 ASP 34 HB1 ASP 34 -11.751 4.888 -10.266 289 H ALA 35 HN ALA 35 -11.215 6.417 -6.343 290 HA ALA 35 HA ALA 35 -13.590 5.431 -5.296 291 HB1 ALA 35 HB1 ALA 35 -12.632 6.745 -3.731 292 HB2 ALA 35 HB2 ALA 35 -13.687 7.975 -4.433 293 HB3 ALA 35 HB3 ALA 35 -11.999 7.878 -4.929 294 H SER 36 HN SER 36 -13.117 7.770 -7.870 295 HA SER 36 HA SER 36 -15.775 8.767 -7.881 296 HB2 SER 36 HB2 SER 36 -13.844 8.650 -10.200 297 HB3 SER 36 HB1 SER 36 -15.219 9.737 -10.020 298 HG SER 36 HG SER 36 -13.839 10.124 -7.871 299 H ALA 37 HN ALA 37 -14.172 6.112 -9.575 300 HA ALA 37 HA ALA 37 -16.588 5.359 -10.982 301 HB1 ALA 37 HB1 ALA 37 -13.886 4.037 -10.778 302 HB2 ALA 37 HB2 ALA 37 -14.474 5.050 -12.099 303 HB3 ALA 37 HB3 ALA 37 -15.207 3.473 -11.804 304 H LEU 38 HN LEU 38 -15.048 4.652 -8.011 305 HA LEU 38 HA LEU 38 -16.376 2.118 -7.580 306 HB2 LEU 38 HB2 LEU 38 -14.580 3.843 -5.891 307 HB3 LEU 38 HB1 LEU 38 -15.326 2.385 -5.271 308 HG LEU 38 HG LEU 38 -13.601 2.339 -7.734 309 HD11 LEU 38 HD11 LEU 38 -12.699 2.053 -4.861 310 HD12 LEU 38 HD12 LEU 38 -12.228 3.311 -6.001 311 HD13 LEU 38 HD13 LEU 38 -11.738 1.642 -6.280 312 HD21 LEU 38 HD21 LEU 38 -14.336 0.240 -5.700 313 HD22 LEU 38 HD22 LEU 38 -13.331 -0.001 -7.128 314 HD23 LEU 38 HD23 LEU 38 -15.036 0.409 -7.310 315 H GLY 39 HN GLY 39 -17.222 5.363 -7.270 316 HA2 GLY 39 HA2 GLY 39 -19.255 6.236 -6.550 317 HA3 GLY 39 HA1 GLY 39 -19.658 4.666 -5.873 318 H LEU 40 HN LEU 40 -16.628 5.493 -4.872 319 HA LEU 40 HA LEU 40 -17.533 5.961 -2.183 320 HB2 LEU 40 HB2 LEU 40 -14.686 6.052 -3.139 321 HB3 LEU 40 HB1 LEU 40 -15.287 5.620 -1.553 322 HG LEU 40 HG LEU 40 -15.401 3.978 -4.068 323 HD11 LEU 40 HD11 LEU 40 -13.359 3.566 -3.154 324 HD12 LEU 40 HD12 LEU 40 -14.318 2.357 -2.325 325 HD13 LEU 40 HD13 LEU 40 -13.901 3.859 -1.509 326 HD21 LEU 40 HD21 LEU 40 -16.704 3.392 -1.430 327 HD22 LEU 40 HD22 LEU 40 -16.588 2.275 -2.780 328 HD23 LEU 40 HD23 LEU 40 -17.540 3.751 -2.932 329 H HIS 41 HN HIS 41 -18.509 8.009 -2.345 330 HA HIS 41 HA HIS 41 -17.149 10.246 -3.504 331 HB2 HIS 41 HB2 HIS 41 -19.619 10.161 -1.758 332 HB3 HIS 41 HB1 HIS 41 -19.030 11.584 -2.605 333 HD1 HIS 41 HD1 HIS 41 -19.129 11.512 -5.243 334 HD2 HIS 41 HD2 HIS 41 -21.213 8.442 -3.325 335 HE1 HIS 41 HE1 HIS 41 -20.674 10.547 -6.970 336 HE2 HIS 41 HE2 HIS 41 -21.874 8.660 -5.808 337 H ASP 42 HN ASP 42 -16.685 8.715 -0.591 338 HA ASP 42 HA ASP 42 -15.884 11.228 0.680 339 HB2 ASP 42 HB2 ASP 42 -17.182 8.814 1.866 340 HB3 ASP 42 HB1 ASP 42 -16.234 9.899 2.872 341 H TYR 43 HN TYR 43 -14.304 9.206 -0.969 342 HA TYR 43 HA TYR 43 -12.676 7.703 0.763 343 HB2 TYR 43 HB2 TYR 43 -12.861 7.173 -1.598 344 HB3 TYR 43 HB1 TYR 43 -12.127 8.704 -2.041 345 HD1 TYR 43 HD1 TYR 43 -11.503 5.418 -0.508 346 HD2 TYR 43 HD2 TYR 43 -9.743 8.955 -2.067 347 HE1 TYR 43 HE1 TYR 43 -9.310 4.313 -0.503 348 HE2 TYR 43 HE2 TYR 43 -7.536 7.865 -2.067 349 HH TYR 43 HH TYR 43 -6.382 6.022 -1.008 350 H HIS 44 HN HIS 44 -12.449 11.030 -0.321 351 HA HIS 44 HA HIS 44 -9.704 11.246 0.566 352 HB2 HIS 44 HB2 HIS 44 -11.592 13.161 -0.763 353 HB3 HIS 44 HB1 HIS 44 -10.058 13.708 -0.096 354 HD1 HIS 44 HD1 HIS 44 -7.882 12.797 -1.229 355 HD2 HIS 44 HD2 HIS 44 -11.414 11.761 -3.160 356 HE1 HIS 44 HE1 HIS 44 -7.194 11.975 -3.505 357 HE2 HIS 44 HE2 HIS 44 -9.355 11.486 -4.701 358 H ASP 45 HN ASP 45 -12.619 11.405 2.176 359 HA ASP 45 HA ASP 45 -11.675 13.351 4.153 360 HB2 ASP 45 HB2 ASP 45 -14.055 13.385 3.872 361 HB3 ASP 45 HB1 ASP 45 -14.176 11.645 4.038 362 H ILE 46 HN ILE 46 -12.328 9.934 3.845 363 HA ILE 46 HA ILE 46 -11.631 9.339 6.536 364 HB ILE 46 HB ILE 46 -12.344 7.675 4.143 365 HG12 ILE 46 HG12 ILE 46 -14.166 7.033 5.874 366 HG13 ILE 46 HG11 ILE 46 -13.645 8.490 6.715 367 HG21 ILE 46 HG21 ILE 46 -10.884 6.188 5.158 368 HG22 ILE 46 HG22 ILE 46 -12.436 5.763 5.876 369 HG23 ILE 46 HG23 ILE 46 -11.283 6.742 6.783 370 HD11 ILE 46 HD11 ILE 46 -14.673 8.411 3.900 371 HD12 ILE 46 HD12 ILE 46 -14.201 9.838 4.810 372 HD13 ILE 46 HD13 ILE 46 -15.594 8.888 5.320 373 H ILE 47 HN ILE 47 -10.052 8.919 3.397 374 HA ILE 47 HA ILE 47 -7.721 7.787 4.703 375 HB ILE 47 HB ILE 47 -8.021 8.532 1.802 376 HG12 ILE 47 HG12 ILE 47 -9.764 6.900 2.713 377 HG13 ILE 47 HG11 ILE 47 -8.819 6.356 1.333 378 HG21 ILE 47 HG21 ILE 47 -6.285 6.669 1.624 379 HG22 ILE 47 HG22 ILE 47 -6.081 6.860 3.362 380 HG23 ILE 47 HG23 ILE 47 -5.750 8.213 2.280 381 HD11 ILE 47 HD11 ILE 47 -8.387 5.594 4.212 382 HD12 ILE 47 HD12 ILE 47 -7.398 5.083 2.843 383 HD13 ILE 47 HD13 ILE 47 -9.076 4.590 2.934 384 H LYS 48 HN LYS 48 -6.707 9.300 5.888 385 HA LYS 48 HA LYS 48 -6.423 12.012 4.935 386 HB2 LYS 48 HB2 LYS 48 -5.766 10.591 7.483 387 HB3 LYS 48 HB1 LYS 48 -5.093 12.179 7.148 388 HG2 LYS 48 HG2 LYS 48 -8.033 11.553 7.099 389 HG3 LYS 48 HG1 LYS 48 -7.180 12.226 8.491 390 HD2 LYS 48 HD2 LYS 48 -6.659 14.222 7.322 391 HD3 LYS 48 HD1 LYS 48 -7.134 13.519 5.778 392 HE2 LYS 48 HE2 LYS 48 -9.412 13.473 6.416 393 HE3 LYS 48 HE1 LYS 48 -9.029 14.010 8.052 394 HZ1 LYS 48 HZ1 LYS 48 -8.631 15.573 5.559 395 HZ2 LYS 48 HZ2 LYS 48 -8.224 16.096 7.113 396 HZ3 LYS 48 HZ3 LYS 48 -9.843 15.835 6.708 397 H HIS 49 HN HIS 49 -4.545 9.132 4.999 398 HA HIS 49 HA HIS 49 -2.241 10.661 3.974 399 HB2 HIS 49 HB2 HIS 49 -2.187 8.170 5.685 400 HB3 HIS 49 HB1 HIS 49 -0.774 8.893 4.927 401 HD1 HIS 49 HD1 HIS 49 0.153 11.064 5.978 402 HD2 HIS 49 HD2 HIS 49 -3.157 9.503 7.947 403 HE1 HIS 49 HE1 HIS 49 0.019 12.301 8.164 404 HE2 HIS 49 HE2 HIS 49 -2.094 11.469 9.244 405 HA PRO 50 HA PRO 50 -3.872 7.319 1.018 406 HB2 PRO 50 HB2 PRO 50 -4.134 8.923 -1.179 407 HB3 PRO 50 HB1 PRO 50 -5.435 8.617 -0.026 408 HG2 PRO 50 HG2 PRO 50 -3.600 10.958 -0.241 409 HG3 PRO 50 HG1 PRO 50 -5.338 10.921 0.108 410 HD2 PRO 50 HD2 PRO 50 -3.474 11.253 2.053 411 HD3 PRO 50 HD1 PRO 50 -5.004 10.401 2.342 412 H MET 51 HN MET 51 -2.130 6.158 0.553 413 HA MET 51 HA MET 51 -0.106 7.315 -1.208 414 HB2 MET 51 HB2 MET 51 0.917 7.403 0.963 415 HB3 MET 51 HB1 MET 51 0.408 5.766 1.350 416 HG2 MET 51 HG2 MET 51 2.820 5.962 0.803 417 HG3 MET 51 HG1 MET 51 1.947 4.857 -0.263 418 HE1 MET 51 HE1 MET 51 3.217 8.490 0.158 419 HE2 MET 51 HE2 MET 51 1.658 8.810 -0.594 420 HE3 MET 51 HE3 MET 51 3.150 9.140 -1.477 421 H ASP 52 HN ASP 52 0.944 5.774 -2.544 422 HA ASP 52 HA ASP 52 -0.267 3.098 -2.637 423 HB2 ASP 52 HB2 ASP 52 0.170 4.689 -5.170 424 HB3 ASP 52 HB1 ASP 52 -0.815 3.240 -4.943 425 H LEU 53 HN LEU 53 1.124 1.518 -3.695 426 HA LEU 53 HA LEU 53 3.828 1.856 -3.089 427 HB2 LEU 53 HB2 LEU 53 2.366 -0.124 -4.787 428 HB3 LEU 53 HB1 LEU 53 4.114 -0.165 -4.661 429 HG LEU 53 HG LEU 53 2.300 -0.277 -2.261 430 HD11 LEU 53 HD11 LEU 53 1.966 -2.147 -3.880 431 HD12 LEU 53 HD12 LEU 53 2.493 -2.639 -2.275 432 HD13 LEU 53 HD13 LEU 53 3.642 -2.601 -3.614 433 HD21 LEU 53 HD21 LEU 53 4.520 0.416 -1.733 434 HD22 LEU 53 HD22 LEU 53 5.215 -0.892 -2.684 435 HD23 LEU 53 HD23 LEU 53 4.318 -1.252 -1.209 436 H SER 54 HN SER 54 2.121 2.387 -6.115 437 HA SER 54 HA SER 54 4.329 2.847 -7.784 438 HB2 SER 54 HB2 SER 54 2.704 4.277 -9.102 439 HB3 SER 54 HB1 SER 54 2.116 2.652 -8.752 440 HG SER 54 HG SER 54 0.634 3.431 -7.455 441 H THR 55 HN THR 55 2.543 5.046 -5.661 442 HA THR 55 HA THR 55 3.995 7.379 -6.365 443 HB THR 55 HB THR 55 2.567 7.071 -3.743 444 HG1 THR 55 HG1 THR 55 0.628 7.105 -4.753 445 HG21 THR 55 HG21 THR 55 3.775 9.159 -4.431 446 HG22 THR 55 HG22 THR 55 2.069 9.378 -4.049 447 HG23 THR 55 HG23 THR 55 2.600 9.335 -5.732 448 H VAL 56 HN VAL 56 4.278 4.947 -3.822 449 HA VAL 56 HA VAL 56 6.263 6.192 -2.272 450 HB VAL 56 HB VAL 56 5.879 3.232 -2.795 451 HG11 VAL 56 HG11 VAL 56 8.122 3.756 -1.939 452 HG12 VAL 56 HG12 VAL 56 7.155 2.871 -0.756 453 HG13 VAL 56 HG13 VAL 56 7.391 4.609 -0.578 454 HG21 VAL 56 HG21 VAL 56 3.934 4.411 -1.800 455 HG22 VAL 56 HG22 VAL 56 4.962 4.888 -0.454 456 HG23 VAL 56 HG23 VAL 56 4.630 3.182 -0.747 457 H LYS 57 HN LYS 57 6.448 4.008 -5.029 458 HA LYS 57 HA LYS 57 9.254 3.910 -5.210 459 HB2 LYS 57 HB2 LYS 57 7.140 2.664 -6.418 460 HB3 LYS 57 HB1 LYS 57 7.744 3.678 -7.716 461 HG2 LYS 57 HG2 LYS 57 9.867 2.659 -7.651 462 HG3 LYS 57 HG1 LYS 57 9.521 1.850 -6.145 463 HD2 LYS 57 HD2 LYS 57 7.871 0.471 -7.196 464 HD3 LYS 57 HD1 LYS 57 8.054 1.326 -8.713 465 HE2 LYS 57 HE2 LYS 57 10.502 0.610 -8.614 466 HE3 LYS 57 HE1 LYS 57 10.002 -0.470 -7.309 467 HZ1 LYS 57 HZ1 LYS 57 8.887 -0.486 -10.066 468 HZ2 LYS 57 HZ2 LYS 57 8.482 -1.558 -8.824 469 HZ3 LYS 57 HZ3 LYS 57 10.040 -1.574 -9.478 470 H ARG 58 HN ARG 58 6.794 5.931 -6.698 471 HA ARG 58 HA ARG 58 8.361 7.447 -8.421 472 HB2 ARG 58 HB2 ARG 58 5.896 7.514 -8.297 473 HB3 ARG 58 HB1 ARG 58 6.005 8.373 -6.769 474 HG2 ARG 58 HG2 ARG 58 7.209 10.195 -7.923 475 HG3 ARG 58 HG1 ARG 58 6.952 9.362 -9.448 476 HD2 ARG 58 HD2 ARG 58 4.536 9.531 -9.127 477 HD3 ARG 58 HD1 ARG 58 4.806 10.350 -7.588 478 HE ARG 58 HE ARG 58 6.170 11.755 -9.583 479 HH11 ARG 58 HH11 ARG 58 2.880 11.056 -8.620 480 HH12 ARG 58 HH12 ARG 58 2.242 12.526 -9.278 481 HH21 ARG 58 HH21 ARG 58 5.343 13.686 -10.439 482 HH22 ARG 58 HH22 ARG 58 3.645 14.024 -10.319 483 H LYS 59 HN LYS 59 7.496 8.165 -5.045 484 HA LYS 59 HA LYS 59 9.124 10.497 -4.930 485 HB2 LYS 59 HB2 LYS 59 7.852 8.853 -2.733 486 HB3 LYS 59 HB1 LYS 59 8.646 10.404 -2.489 487 HG2 LYS 59 HG2 LYS 59 7.005 11.570 -3.674 488 HG3 LYS 59 HG1 LYS 59 6.372 10.099 -4.411 489 HD2 LYS 59 HD2 LYS 59 4.884 10.971 -2.660 490 HD3 LYS 59 HD1 LYS 59 5.492 9.365 -2.270 491 HE2 LYS 59 HE2 LYS 59 7.081 11.629 -1.243 492 HE3 LYS 59 HE1 LYS 59 5.472 11.439 -0.546 493 HZ1 LYS 59 HZ1 LYS 59 7.468 9.253 -0.690 494 HZ2 LYS 59 HZ2 LYS 59 5.995 9.229 0.140 495 HZ3 LYS 59 HZ3 LYS 59 7.248 10.241 0.663 496 H MET 60 HN MET 60 9.649 7.105 -4.171 497 HA MET 60 HA MET 60 12.179 7.384 -2.945 498 HB2 MET 60 HB2 MET 60 10.978 5.237 -2.909 499 HB3 MET 60 HB1 MET 60 11.147 5.104 -4.656 500 HG2 MET 60 HG2 MET 60 13.686 5.257 -4.167 501 HG3 MET 60 HG1 MET 60 13.219 4.826 -2.526 502 HE1 MET 60 HE1 MET 60 11.774 2.743 -1.964 503 HE2 MET 60 HE2 MET 60 11.437 1.406 -3.063 504 HE3 MET 60 HE3 MET 60 10.620 2.955 -3.277 505 H GLU 61 HN GLU 61 11.176 7.148 -6.341 506 HA GLU 61 HA GLU 61 13.800 6.999 -7.404 507 HB2 GLU 61 HB2 GLU 61 11.168 7.838 -8.599 508 HB3 GLU 61 HB1 GLU 61 12.657 7.842 -9.530 509 HG2 GLU 61 HG2 GLU 61 12.891 5.398 -8.842 510 HG3 GLU 61 HG1 GLU 61 11.215 5.511 -8.313 511 H ASN 62 HN ASN 62 11.800 9.654 -6.397 512 HA ASN 62 HA ASN 62 13.572 11.660 -7.499 513 HB2 ASN 62 HB2 ASN 62 11.170 11.808 -5.678 514 HB3 ASN 62 HB1 ASN 62 12.167 13.216 -6.011 515 HD21 ASN 62 HD21 ASN 62 11.471 10.722 -8.379 516 HD22 ASN 62 HD22 ASN 62 10.483 11.710 -9.395 517 H ARG 63 HN ARG 63 13.723 9.551 -5.052 518 HA ARG 63 HA ARG 63 15.041 9.214 -3.268 519 HB2 ARG 63 HB2 ARG 63 16.662 11.505 -4.374 520 HB3 ARG 63 HB1 ARG 63 17.231 10.232 -3.305 521 HG2 ARG 63 HG2 ARG 63 16.169 9.732 -6.072 522 HG3 ARG 63 HG1 ARG 63 17.876 9.970 -5.686 523 HD2 ARG 63 HD2 ARG 63 18.062 7.962 -4.593 524 HD3 ARG 63 HD1 ARG 63 16.349 7.887 -4.189 525 HE ARG 63 HE ARG 63 15.911 6.971 -6.267 526 HH11 ARG 63 HH11 ARG 63 19.274 7.925 -6.054 527 HH12 ARG 63 HH12 ARG 63 19.735 7.071 -7.490 528 HH21 ARG 63 HH21 ARG 63 16.519 5.827 -8.145 529 HH22 ARG 63 HH22 ARG 63 18.172 5.875 -8.675 530 H ASP 64 HN ASP 64 12.817 10.993 -2.963 531 HA ASP 64 HA ASP 64 13.531 13.047 -1.106 532 HB2 ASP 64 HB2 ASP 64 10.961 11.628 -1.763 533 HB3 ASP 64 HB1 ASP 64 11.051 12.726 -0.391 534 H TYR 65 HN TYR 65 13.395 9.690 -0.968 535 HA TYR 65 HA TYR 65 12.972 9.497 1.895 536 HB2 TYR 65 HB2 TYR 65 13.694 7.372 -0.147 537 HB3 TYR 65 HB1 TYR 65 13.302 7.067 1.540 538 HD1 TYR 65 HD1 TYR 65 11.484 5.567 1.054 539 HD2 TYR 65 HD2 TYR 65 11.470 9.521 -0.501 540 HE1 TYR 65 HE1 TYR 65 9.117 5.317 0.429 541 HE2 TYR 65 HE2 TYR 65 9.120 9.277 -1.113 542 HH TYR 65 HH TYR 65 7.132 6.889 0.040 543 H ARG 66 HN ARG 66 14.570 9.037 3.377 544 HA ARG 66 HA ARG 66 17.325 9.107 2.347 545 HB2 ARG 66 HB2 ARG 66 16.191 9.843 5.052 546 HB3 ARG 66 HB1 ARG 66 17.913 9.841 4.674 547 HG2 ARG 66 HG2 ARG 66 15.907 11.512 3.186 548 HG3 ARG 66 HG1 ARG 66 16.756 12.078 4.623 549 HD2 ARG 66 HD2 ARG 66 18.857 11.979 3.538 550 HD3 ARG 66 HD1 ARG 66 18.197 11.046 2.189 551 HE ARG 66 HE ARG 66 16.813 13.443 2.254 552 HH11 ARG 66 HH11 ARG 66 20.130 12.414 1.788 553 HH12 ARG 66 HH12 ARG 66 20.527 13.757 0.766 554 HH21 ARG 66 HH21 ARG 66 17.341 15.196 0.907 555 HH22 ARG 66 HH22 ARG 66 18.945 15.336 0.265 556 H ASP 67 HN ASP 67 15.004 7.250 4.144 557 HA ASP 67 HA ASP 67 16.974 5.117 4.444 558 HB2 ASP 67 HB2 ASP 67 15.341 6.259 6.723 559 HB3 ASP 67 HB1 ASP 67 16.132 4.689 6.787 560 H ALA 68 HN ALA 68 15.923 3.064 5.019 561 HA ALA 68 HA ALA 68 13.668 2.633 3.331 562 HB1 ALA 68 HB1 ALA 68 15.013 0.791 5.295 563 HB2 ALA 68 HB2 ALA 68 15.392 0.937 3.577 564 HB3 ALA 68 HB3 ALA 68 13.825 0.303 4.086 565 H GLN 69 HN GLN 69 14.076 3.507 6.579 566 HA GLN 69 HA GLN 69 11.642 2.477 7.609 567 HB2 GLN 69 HB2 GLN 69 13.449 3.156 9.113 568 HB3 GLN 69 HB1 GLN 69 13.297 4.819 8.557 569 HG2 GLN 69 HG2 GLN 69 12.154 4.768 10.589 570 HG3 GLN 69 HG1 GLN 69 10.910 4.707 9.344 571 HE21 GLN 69 HE21 GLN 69 10.777 3.882 12.113 572 HE22 GLN 69 HE22 GLN 69 10.337 2.209 12.098 573 H GLU 70 HN GLU 70 12.622 5.469 6.048 574 HA GLU 70 HA GLU 70 10.139 6.787 6.265 575 HB2 GLU 70 HB2 GLU 70 12.462 7.101 4.381 576 HB3 GLU 70 HB1 GLU 70 11.014 8.090 4.256 577 HG2 GLU 70 HG2 GLU 70 11.358 8.845 6.569 578 HG3 GLU 70 HG1 GLU 70 12.859 7.920 6.616 579 H PHE 71 HN PHE 71 11.502 4.526 3.973 580 HA PHE 71 HA PHE 71 9.327 4.486 2.172 581 HB2 PHE 71 HB2 PHE 71 11.207 3.401 1.335 582 HB3 PHE 71 HB1 PHE 71 11.530 2.565 2.847 583 HD1 PHE 71 HD1 PHE 71 9.427 2.617 -0.155 584 HD2 PHE 71 HD2 PHE 71 10.542 0.435 3.311 585 HE1 PHE 71 HE1 PHE 71 8.295 0.628 -1.050 586 HE2 PHE 71 HE2 PHE 71 9.401 -1.555 2.433 587 HZ PHE 71 HZ PHE 71 8.283 -1.466 0.242 588 H ALA 72 HN ALA 72 10.135 2.350 4.911 589 HA ALA 72 HA ALA 72 7.850 0.808 4.943 590 HB1 ALA 72 HB1 ALA 72 9.631 1.710 7.202 591 HB2 ALA 72 HB2 ALA 72 9.693 0.187 6.313 592 HB3 ALA 72 HB3 ALA 72 8.343 0.520 7.397 593 H ALA 73 HN ALA 73 8.450 3.952 6.369 594 HA ALA 73 HA ALA 73 6.128 4.374 7.786 595 HB1 ALA 73 HB1 ALA 73 7.951 6.206 6.271 596 HB2 ALA 73 HB2 ALA 73 7.793 5.983 8.017 597 HB3 ALA 73 HB3 ALA 73 6.528 6.821 7.119 598 H ASP 74 HN ASP 74 6.775 4.998 4.363 599 HA ASP 74 HA ASP 74 4.199 6.102 3.862 600 HB2 ASP 74 HB2 ASP 74 6.700 5.747 2.453 601 HB3 ASP 74 HB1 ASP 74 5.332 5.385 1.415 602 H VAL 75 HN VAL 75 5.740 2.983 3.044 603 HA VAL 75 HA VAL 75 3.545 2.045 1.516 604 HB VAL 75 HB VAL 75 5.646 1.018 1.104 605 HG11 VAL 75 HG11 VAL 75 6.783 1.310 3.176 606 HG12 VAL 75 HG12 VAL 75 6.764 -0.416 2.810 607 HG13 VAL 75 HG13 VAL 75 5.650 0.244 4.007 608 HG21 VAL 75 HG21 VAL 75 5.161 -1.407 1.471 609 HG22 VAL 75 HG22 VAL 75 3.839 -0.493 0.736 610 HG23 VAL 75 HG23 VAL 75 3.773 -0.916 2.447 611 H ARG 76 HN ARG 76 4.399 1.590 4.943 612 HA ARG 76 HA ARG 76 2.233 -0.275 5.285 613 HB2 ARG 76 HB2 ARG 76 2.906 -0.578 7.486 614 HB3 ARG 76 HB1 ARG 76 4.410 -0.201 6.662 615 HG2 ARG 76 HG2 ARG 76 4.242 2.099 7.441 616 HG3 ARG 76 HG1 ARG 76 2.760 1.705 8.296 617 HD2 ARG 76 HD2 ARG 76 4.011 0.036 9.625 618 HD3 ARG 76 HD1 ARG 76 5.498 0.533 8.822 619 HE ARG 76 HE ARG 76 4.175 2.747 10.007 620 HH11 ARG 76 HH11 ARG 76 6.183 -0.028 10.740 621 HH12 ARG 76 HH12 ARG 76 6.864 0.684 12.168 622 HH21 ARG 76 HH21 ARG 76 5.073 3.688 11.890 623 HH22 ARG 76 HH22 ARG 76 6.232 2.797 12.822 624 H LEU 77 HN LEU 77 2.626 3.178 5.560 625 HA LEU 77 HA LEU 77 0.276 3.800 6.940 626 HB2 LEU 77 HB2 LEU 77 2.181 5.160 5.283 627 HB3 LEU 77 HB1 LEU 77 0.562 5.639 4.810 628 HG LEU 77 HG LEU 77 1.769 5.884 7.558 629 HD11 LEU 77 HD11 LEU 77 1.071 7.851 5.417 630 HD12 LEU 77 HD12 LEU 77 2.646 7.554 6.144 631 HD13 LEU 77 HD13 LEU 77 1.367 8.318 7.088 632 HD21 LEU 77 HD21 LEU 77 -1.019 6.342 6.548 633 HD22 LEU 77 HD22 LEU 77 -0.393 7.183 7.968 634 HD23 LEU 77 HD23 LEU 77 -0.494 5.422 7.959 635 H MET 78 HN MET 78 0.869 3.112 3.535 636 HA MET 78 HA MET 78 -1.719 3.490 2.570 637 HB2 MET 78 HB2 MET 78 0.016 3.296 0.990 638 HB3 MET 78 HB1 MET 78 0.571 1.768 1.659 639 HG2 MET 78 HG2 MET 78 -2.181 1.839 0.571 640 HG3 MET 78 HG1 MET 78 -0.845 1.942 -0.583 641 HE1 MET 78 HE1 MET 78 1.455 0.160 0.675 642 HE2 MET 78 HE2 MET 78 0.906 0.144 -0.997 643 HE3 MET 78 HE3 MET 78 1.058 -1.369 -0.107 644 H PHE 79 HN PHE 79 -0.195 0.468 3.745 645 HA PHE 79 HA PHE 79 -2.486 -1.143 3.539 646 HB2 PHE 79 HB2 PHE 79 -0.231 -1.333 5.552 647 HB3 PHE 79 HB1 PHE 79 -1.451 -2.575 5.295 648 HD1 PHE 79 HD1 PHE 79 -1.660 -2.860 2.457 649 HD2 PHE 79 HD2 PHE 79 1.790 -2.079 4.817 650 HE1 PHE 79 HE1 PHE 79 -0.247 -3.875 0.720 651 HE2 PHE 79 HE2 PHE 79 3.212 -3.083 3.086 652 HZ PHE 79 HZ PHE 79 2.209 -3.977 1.025 653 H SER 80 HN SER 80 -1.413 1.020 6.110 654 HA SER 80 HA SER 80 -3.357 0.402 8.026 655 HB2 SER 80 HB2 SER 80 -2.003 3.063 7.490 656 HB3 SER 80 HB1 SER 80 -2.850 2.624 8.974 657 HG SER 80 HG SER 80 -0.421 1.617 7.943 658 H ASN 81 HN ASN 81 -3.392 2.736 5.359 659 HA ASN 81 HA ASN 81 -5.876 3.925 5.882 660 HB2 ASN 81 HB2 ASN 81 -4.580 3.431 3.195 661 HB3 ASN 81 HB1 ASN 81 -5.895 4.558 3.507 662 HD21 ASN 81 HD21 ASN 81 -3.123 4.878 2.516 663 HD22 ASN 81 HD22 ASN 81 -2.438 6.114 3.515 664 H CYS 82 HN CYS 82 -5.027 0.947 4.277 665 HA CYS 82 HA CYS 82 -7.525 0.407 3.087 666 HB2 CYS 82 HB2 CYS 82 -5.473 -1.602 4.057 667 HB3 CYS 82 HB1 CYS 82 -6.748 -1.894 2.881 668 HG CYS 82 HG CYS 82 -4.131 0.266 2.399 669 H TYR 83 HN TYR 83 -6.167 -0.520 6.257 670 HA TYR 83 HA TYR 83 -8.581 -1.845 7.082 671 HB2 TYR 83 HB2 TYR 83 -6.424 -0.720 8.881 672 HB3 TYR 83 HB1 TYR 83 -7.629 -1.935 9.296 673 HD1 TYR 83 HD1 TYR 83 -7.418 -3.810 7.016 674 HD2 TYR 83 HD2 TYR 83 -4.355 -1.747 9.156 675 HE1 TYR 83 HE1 TYR 83 -5.820 -5.601 6.469 676 HE2 TYR 83 HE2 TYR 83 -2.774 -3.533 8.613 677 HH TYR 83 HH TYR 83 -3.358 -5.878 6.270 678 H LYS 84 HN LYS 84 -7.428 1.378 7.013 679 HA LYS 84 HA LYS 84 -9.030 2.467 9.098 680 HB2 LYS 84 HB2 LYS 84 -6.931 3.316 7.452 681 HB3 LYS 84 HB1 LYS 84 -8.272 4.382 7.042 682 HG2 LYS 84 HG2 LYS 84 -7.320 3.871 9.860 683 HG3 LYS 84 HG1 LYS 84 -6.737 5.195 8.856 684 HD2 LYS 84 HD2 LYS 84 -9.648 4.776 9.506 685 HD3 LYS 84 HD1 LYS 84 -8.571 5.777 10.486 686 HE2 LYS 84 HE2 LYS 84 -8.044 7.075 8.411 687 HE3 LYS 84 HE1 LYS 84 -9.315 6.169 7.595 688 HZ1 LYS 84 HZ1 LYS 84 -10.083 8.322 8.405 689 HZ2 LYS 84 HZ2 LYS 84 -9.706 7.877 9.992 690 HZ3 LYS 84 HZ3 LYS 84 -10.917 7.053 9.150 691 H TYR 85 HN TYR 85 -9.419 2.011 5.660 692 HA TYR 85 HA TYR 85 -11.932 3.481 5.643 693 HB2 TYR 85 HB2 TYR 85 -10.356 3.761 3.793 694 HB3 TYR 85 HB1 TYR 85 -10.478 2.051 3.405 695 HD1 TYR 85 HD1 TYR 85 -12.340 5.205 3.622 696 HD2 TYR 85 HD2 TYR 85 -12.322 1.271 2.005 697 HE1 TYR 85 HE1 TYR 85 -14.277 5.771 2.225 698 HE2 TYR 85 HE2 TYR 85 -14.254 1.834 0.598 699 HH TYR 85 HH TYR 85 -16.188 3.560 0.764 700 H ASN 86 HN ASN 86 -10.816 0.255 4.672 701 HA ASN 86 HA ASN 86 -13.534 -0.649 4.336 702 HB2 ASN 86 HB2 ASN 86 -10.943 -2.187 4.053 703 HB3 ASN 86 HB1 ASN 86 -12.527 -2.687 3.457 704 HD21 ASN 86 HD21 ASN 86 -9.822 -0.574 3.005 705 HD22 ASN 86 HD22 ASN 86 -10.240 -0.033 1.415 706 HA PRO 87 HA PRO 87 -13.862 -2.412 8.403 707 HB2 PRO 87 HB2 PRO 87 -15.887 -4.165 7.849 708 HB3 PRO 87 HB1 PRO 87 -16.140 -2.441 8.136 709 HG2 PRO 87 HG2 PRO 87 -16.005 -3.933 5.554 710 HG3 PRO 87 HG1 PRO 87 -17.082 -2.606 6.032 711 HD2 PRO 87 HD2 PRO 87 -14.912 -2.239 4.452 712 HD3 PRO 87 HD1 PRO 87 -15.503 -0.998 5.574 713 HA PRO 88 HA PRO 88 -11.220 -5.815 8.577 714 HB2 PRO 88 HB2 PRO 88 -12.595 -7.466 10.369 715 HB3 PRO 88 HB1 PRO 88 -11.455 -6.186 10.785 716 HG2 PRO 88 HG2 PRO 88 -14.429 -6.135 10.732 717 HG3 PRO 88 HG1 PRO 88 -13.308 -5.317 11.836 718 HD2 PRO 88 HD2 PRO 88 -14.565 -3.978 9.893 719 HD3 PRO 88 HD1 PRO 88 -12.887 -3.600 10.332 720 H ASP 89 HN ASP 89 -14.515 -6.485 7.750 721 HA ASP 89 HA ASP 89 -13.671 -9.047 6.574 722 HB2 ASP 89 HB2 ASP 89 -16.510 -8.083 7.063 723 HB3 ASP 89 HB1 ASP 89 -16.034 -9.647 6.428 724 H HIS 90 HN HIS 90 -12.618 -7.807 4.859 725 HA HIS 90 HA HIS 90 -14.417 -7.666 2.614 726 HB2 HIS 90 HB2 HIS 90 -14.160 -5.265 3.762 727 HB3 HIS 90 HB1 HIS 90 -12.663 -5.259 2.847 728 HD1 HIS 90 HD1 HIS 90 -12.816 -5.119 0.275 729 HD2 HIS 90 HD2 HIS 90 -16.518 -5.080 2.138 730 HE1 HIS 90 HE1 HIS 90 -14.467 -4.535 -1.516 731 HE2 HIS 90 HE2 HIS 90 -16.708 -4.726 -0.401 732 H ASP 91 HN ASP 91 -13.206 -7.454 0.556 733 HA ASP 91 HA ASP 91 -11.055 -9.208 0.439 734 HB2 ASP 91 HB2 ASP 91 -11.806 -7.075 -1.572 735 HB3 ASP 91 HB1 ASP 91 -10.821 -8.499 -1.894 736 H VAL 92 HN VAL 92 -11.018 -5.659 0.339 737 HA VAL 92 HA VAL 92 -8.306 -5.436 -0.365 738 HB VAL 92 HB VAL 92 -9.199 -3.129 1.125 739 HG11 VAL 92 HG11 VAL 92 -7.430 -3.226 -0.617 740 HG12 VAL 92 HG12 VAL 92 -8.638 -1.977 -0.896 741 HG13 VAL 92 HG13 VAL 92 -8.689 -3.477 -1.821 742 HG21 VAL 92 HG21 VAL 92 -11.426 -3.993 0.564 743 HG22 VAL 92 HG22 VAL 92 -10.977 -4.023 -1.138 744 HG23 VAL 92 HG23 VAL 92 -11.069 -2.488 -0.275 745 H VAL 93 HN VAL 93 -9.869 -5.773 2.748 746 HA VAL 93 HA VAL 93 -7.523 -4.945 4.194 747 HB VAL 93 HB VAL 93 -8.668 -5.565 6.219 748 HG11 VAL 93 HG11 VAL 93 -10.690 -4.376 4.334 749 HG12 VAL 93 HG12 VAL 93 -9.344 -3.485 5.053 750 HG13 VAL 93 HG13 VAL 93 -10.606 -4.159 6.084 751 HG21 VAL 93 HG21 VAL 93 -10.796 -6.820 4.498 752 HG22 VAL 93 HG22 VAL 93 -10.828 -6.668 6.255 753 HG23 VAL 93 HG23 VAL 93 -9.622 -7.695 5.479 754 H ALA 94 HN ALA 94 -8.983 -7.982 3.187 755 HA ALA 94 HA ALA 94 -7.187 -9.686 4.561 756 HB1 ALA 94 HB1 ALA 94 -8.765 -10.189 2.039 757 HB2 ALA 94 HB2 ALA 94 -9.311 -10.497 3.687 758 HB3 ALA 94 HB3 ALA 94 -7.970 -11.423 3.016 759 H MET 95 HN MET 95 -7.192 -8.235 1.343 760 HA MET 95 HA MET 95 -4.774 -9.451 0.486 761 HB2 MET 95 HB2 MET 95 -6.192 -6.959 -0.481 762 HB3 MET 95 HB1 MET 95 -4.784 -7.653 -1.272 763 HG2 MET 95 HG2 MET 95 -6.107 -9.773 -1.555 764 HG3 MET 95 HG1 MET 95 -7.515 -8.887 -0.968 765 HE1 MET 95 HE1 MET 95 -8.302 -6.632 -2.061 766 HE2 MET 95 HE2 MET 95 -9.216 -7.939 -2.809 767 HE3 MET 95 HE3 MET 95 -8.561 -6.642 -3.804 768 H ALA 96 HN ALA 96 -5.522 -6.425 2.153 769 HA ALA 96 HA ALA 96 -2.877 -5.379 2.078 770 HB1 ALA 96 HB1 ALA 96 -4.629 -3.851 2.530 771 HB2 ALA 96 HB2 ALA 96 -3.673 -3.969 4.007 772 HB3 ALA 96 HB3 ALA 96 -5.215 -4.816 3.884 773 H ARG 97 HN ARG 97 -4.537 -7.667 4.077 774 HA ARG 97 HA ARG 97 -2.697 -7.606 6.265 775 HB2 ARG 97 HB2 ARG 97 -5.094 -8.304 6.416 776 HB3 ARG 97 HB1 ARG 97 -4.680 -9.755 5.516 777 HG2 ARG 97 HG2 ARG 97 -3.151 -10.420 7.310 778 HG3 ARG 97 HG1 ARG 97 -3.606 -8.970 8.213 779 HD2 ARG 97 HD2 ARG 97 -5.933 -9.726 8.238 780 HD3 ARG 97 HD1 ARG 97 -5.468 -11.182 7.361 781 HE ARG 97 HE ARG 97 -3.886 -11.219 9.573 782 HH11 ARG 97 HH11 ARG 97 -7.325 -10.933 9.036 783 HH12 ARG 97 HH12 ARG 97 -7.757 -11.726 10.516 784 HH21 ARG 97 HH21 ARG 97 -4.449 -12.287 11.530 785 HH22 ARG 97 HH22 ARG 97 -6.126 -12.501 11.932 786 H LYS 98 HN LYS 98 -3.217 -9.728 3.478 787 HA LYS 98 HA LYS 98 -1.151 -11.553 4.173 788 HB2 LYS 98 HB2 LYS 98 -3.069 -12.105 2.710 789 HB3 LYS 98 HB1 LYS 98 -2.420 -11.036 1.479 790 HG2 LYS 98 HG2 LYS 98 -0.412 -12.462 1.344 791 HG3 LYS 98 HG1 LYS 98 -1.126 -13.539 2.541 792 HD2 LYS 98 HD2 LYS 98 -3.015 -13.956 1.033 793 HD3 LYS 98 HD1 LYS 98 -2.279 -12.893 -0.167 794 HE2 LYS 98 HE2 LYS 98 -1.836 -15.219 -0.688 795 HE3 LYS 98 HE1 LYS 98 -0.353 -14.356 -0.305 796 HZ1 LYS 98 HZ1 LYS 98 -0.364 -16.505 0.753 797 HZ2 LYS 98 HZ2 LYS 98 -1.844 -16.185 1.498 798 HZ3 LYS 98 HZ3 LYS 98 -0.467 -15.310 1.945 799 H LEU 99 HN LEU 99 -1.310 -8.846 1.865 800 HA LEU 99 HA LEU 99 1.397 -8.890 1.128 801 HB2 LEU 99 HB2 LEU 99 -0.796 -6.930 0.958 802 HB3 LEU 99 HB1 LEU 99 0.815 -6.271 0.930 803 HG LEU 99 HG LEU 99 -0.667 -7.611 -1.186 804 HD11 LEU 99 HD11 LEU 99 1.936 -6.146 -1.287 805 HD12 LEU 99 HD12 LEU 99 0.389 -5.318 -1.115 806 HD13 LEU 99 HD13 LEU 99 0.719 -6.289 -2.552 807 HD21 LEU 99 HD21 LEU 99 2.237 -8.347 -0.945 808 HD22 LEU 99 HD22 LEU 99 1.072 -8.877 -2.158 809 HD23 LEU 99 HD23 LEU 99 0.932 -9.454 -0.501 810 H GLN 100 HN GLN 100 -0.222 -7.545 3.929 811 HA GLN 100 HA GLN 100 1.875 -6.012 4.972 812 HB2 GLN 100 HB2 GLN 100 -0.411 -6.097 5.945 813 HB3 GLN 100 HB1 GLN 100 -0.108 -7.740 6.487 814 HG2 GLN 100 HG2 GLN 100 0.106 -6.213 8.321 815 HG3 GLN 100 HG1 GLN 100 1.676 -6.918 7.955 816 HE21 GLN 100 HE21 GLN 100 -0.290 -4.051 7.818 817 HE22 GLN 100 HE22 GLN 100 1.002 -2.931 7.570 818 H ASP 101 HN ASP 101 1.108 -9.451 5.337 819 HA ASP 101 HA ASP 101 3.156 -10.209 7.036 820 HB2 ASP 101 HB2 ASP 101 1.417 -11.765 6.590 821 HB3 ASP 101 HB1 ASP 101 1.738 -11.736 4.858 822 H VAL 102 HN VAL 102 3.218 -10.164 3.453 823 HA VAL 102 HA VAL 102 5.874 -11.144 3.310 824 HB VAL 102 HB VAL 102 4.656 -11.424 1.325 825 HG11 VAL 102 HG11 VAL 102 3.805 -9.483 0.008 826 HG12 VAL 102 HG12 VAL 102 4.041 -8.505 1.454 827 HG13 VAL 102 HG13 VAL 102 2.925 -9.869 1.483 828 HG21 VAL 102 HG21 VAL 102 6.091 -9.188 0.156 829 HG22 VAL 102 HG22 VAL 102 6.292 -10.926 -0.100 830 HG23 VAL 102 HG23 VAL 102 7.083 -10.140 1.266 831 H PHE 103 HN PHE 103 4.641 -7.818 2.856 832 HA PHE 103 HA PHE 103 7.109 -6.564 2.586 833 HB2 PHE 103 HB2 PHE 103 5.422 -5.123 2.068 834 HB3 PHE 103 HB1 PHE 103 4.396 -5.647 3.396 835 HD1 PHE 103 HD1 PHE 103 7.679 -3.947 2.872 836 HD2 PHE 103 HD2 PHE 103 4.060 -4.103 5.138 837 HE1 PHE 103 HE1 PHE 103 8.408 -2.000 4.180 838 HE2 PHE 103 HE2 PHE 103 4.798 -2.164 6.441 839 HZ PHE 103 HZ PHE 103 6.970 -1.108 5.968 840 H GLU 104 HN GLU 104 5.416 -7.522 5.540 841 HA GLU 104 HA GLU 104 7.019 -6.023 7.311 842 HB2 GLU 104 HB2 GLU 104 4.867 -6.658 8.049 843 HB3 GLU 104 HB1 GLU 104 5.101 -8.331 7.565 844 HG2 GLU 104 HG2 GLU 104 5.201 -8.324 9.890 845 HG3 GLU 104 HG1 GLU 104 6.860 -8.455 9.314 846 H PHE 105 HN PHE 105 7.053 -9.353 6.122 847 HA PHE 105 HA PHE 105 9.235 -10.219 7.723 848 HB2 PHE 105 HB2 PHE 105 7.542 -11.705 6.579 849 HB3 PHE 105 HB1 PHE 105 8.363 -11.360 5.062 850 HD1 PHE 105 HD1 PHE 105 8.403 -13.266 8.124 851 HD2 PHE 105 HD2 PHE 105 10.701 -12.155 4.719 852 HE1 PHE 105 HE1 PHE 105 9.946 -15.132 8.558 853 HE2 PHE 105 HE2 PHE 105 12.246 -14.017 5.146 854 HZ PHE 105 HZ PHE 105 11.870 -15.509 7.068 855 H ARG 106 HN ARG 106 8.945 -8.744 4.544 856 HA ARG 106 HA ARG 106 11.603 -9.175 3.715 857 HB2 ARG 106 HB2 ARG 106 9.654 -7.009 2.917 858 HB3 ARG 106 HB1 ARG 106 11.163 -7.354 2.094 859 HG2 ARG 106 HG2 ARG 106 8.774 -9.162 2.310 860 HG3 ARG 106 HG1 ARG 106 9.333 -8.309 0.871 861 HD2 ARG 106 HD2 ARG 106 11.387 -9.619 0.876 862 HD3 ARG 106 HD1 ARG 106 10.861 -10.449 2.340 863 HE ARG 106 HE ARG 106 9.245 -10.599 -0.109 864 HH11 ARG 106 HH11 ARG 106 11.207 -12.195 2.316 865 HH12 ARG 106 HH12 ARG 106 10.736 -13.789 1.828 866 HH21 ARG 106 HH21 ARG 106 8.634 -12.667 -0.759 867 HH22 ARG 106 HH22 ARG 106 9.275 -14.061 0.053 868 H TYR 107 HN TYR 107 10.019 -6.455 5.348 869 HA TYR 107 HA TYR 107 12.416 -4.932 5.547 870 HB2 TYR 107 HB2 TYR 107 10.071 -3.992 5.744 871 HB3 TYR 107 HB1 TYR 107 10.016 -4.670 7.372 872 HD1 TYR 107 HD1 TYR 107 11.375 -2.026 5.268 873 HD2 TYR 107 HD2 TYR 107 11.501 -3.790 9.138 874 HE1 TYR 107 HE1 TYR 107 12.542 -0.043 6.135 875 HE2 TYR 107 HE2 TYR 107 12.671 -1.812 10.006 876 HH TYR 107 HH TYR 107 14.110 -0.004 9.124 877 H ALA 108 HN ALA 108 10.880 -7.371 7.541 878 HA ALA 108 HA ALA 108 12.454 -7.054 9.856 879 HB1 ALA 108 HB1 ALA 108 10.374 -8.367 9.781 880 HB2 ALA 108 HB2 ALA 108 11.720 -9.282 10.458 881 HB3 ALA 108 HB3 ALA 108 11.194 -9.583 8.802 882 H LYS 109 HN LYS 109 12.958 -8.825 6.861 883 HA LYS 109 HA LYS 109 15.401 -10.055 7.733 884 HB2 LYS 109 HB2 LYS 109 13.657 -10.326 5.537 885 HB3 LYS 109 HB1 LYS 109 15.198 -9.804 4.868 886 HG2 LYS 109 HG2 LYS 109 15.082 -12.204 4.879 887 HG3 LYS 109 HG1 LYS 109 16.312 -11.658 6.021 888 HD2 LYS 109 HD2 LYS 109 14.682 -11.943 7.858 889 HD3 LYS 109 HD1 LYS 109 13.507 -12.550 6.695 890 HE2 LYS 109 HE2 LYS 109 14.632 -14.372 7.897 891 HE3 LYS 109 HE1 LYS 109 14.950 -14.420 6.163 892 HZ1 LYS 109 HZ1 LYS 109 16.966 -14.826 7.388 893 HZ2 LYS 109 HZ2 LYS 109 16.791 -13.385 8.253 894 HZ3 LYS 109 HZ3 LYS 109 17.095 -13.340 6.592 895 H MET 110 HN MET 110 14.447 -7.082 6.294 896 HA MET 110 HA MET 110 16.996 -6.289 5.310 897 HB2 MET 110 HB2 MET 110 15.064 -5.257 4.356 898 HB3 MET 110 HB1 MET 110 14.465 -4.765 5.932 899 HG2 MET 110 HG2 MET 110 17.083 -3.714 4.986 900 HG3 MET 110 HG1 MET 110 15.593 -3.042 4.330 901 HE1 MET 110 HE1 MET 110 16.248 -0.688 5.178 902 HE2 MET 110 HE2 MET 110 17.752 -1.285 5.887 903 HE3 MET 110 HE3 MET 110 16.659 -0.287 6.848 904 HA PRO 111 HA PRO 111 18.475 -4.917 9.318 905 HB2 PRO 111 HB2 PRO 111 21.081 -4.881 8.696 906 HB3 PRO 111 HB1 PRO 111 20.213 -6.390 8.987 907 HG2 PRO 111 HG2 PRO 111 21.150 -5.211 6.437 908 HG3 PRO 111 HG1 PRO 111 20.910 -6.910 6.869 909 HD2 PRO 111 HD2 PRO 111 19.156 -5.238 5.378 910 HD3 PRO 111 HD1 PRO 111 18.844 -6.898 5.953 911 H ASP 112 HN ASP 112 19.175 -2.962 10.124 912 HA ASP 112 HA ASP 112 19.208 -0.745 8.220 913 HB2 ASP 112 HB2 ASP 112 18.939 -0.822 11.233 914 HB3 ASP 112 HB1 ASP 112 19.064 0.670 10.312 915 H1 HIS 281 HT1 HIS 281 -25.409 9.054 8.441 916 H2 HIS 281 HT2 HIS 281 -27.096 9.120 8.452 917 H3 HIS 281 HT3 HIS 281 -26.299 7.964 7.509 918 HA HIS 281 HA HIS 281 -26.260 8.113 10.460 919 HB2 HIS 281 HB2 HIS 281 -28.438 7.393 9.464 920 HB3 HIS 281 HB1 HIS 281 -27.596 6.073 8.668 921 HD1 HIS 281 HD1 HIS 281 -29.170 7.044 11.839 922 HD2 HIS 281 HD2 HIS 281 -26.598 4.064 10.494 923 HE1 HIS 281 HE1 HIS 281 -29.206 5.264 13.615 924 HE2 HIS 281 HE2 HIS 281 -27.617 3.488 12.799 925 H ASN 282 HN ASN 282 -25.837 5.604 7.937 926 HA ASN 282 HA ASN 282 -23.047 5.327 8.699 927 HB2 ASN 282 HB2 ASN 282 -24.256 3.853 10.288 928 HB3 ASN 282 HB1 ASN 282 -24.940 2.979 8.923 929 HD21 ASN 282 HD21 ASN 282 -23.998 1.050 9.559 930 HD22 ASN 282 HD22 ASN 282 -22.304 0.750 9.391 931 H LEU 283 HN LEU 283 -22.931 6.154 6.534 932 HA LEU 283 HA LEU 283 -22.926 3.955 4.598 933 HB2 LEU 283 HB2 LEU 283 -23.961 6.747 4.119 934 HB3 LEU 283 HB1 LEU 283 -23.500 5.670 2.817 935 HG LEU 283 HG LEU 283 -25.691 5.133 4.824 936 HD11 LEU 283 HD11 LEU 283 -25.825 5.939 1.922 937 HD12 LEU 283 HD12 LEU 283 -26.266 6.943 3.303 938 HD13 LEU 283 HD13 LEU 283 -27.199 5.494 2.933 939 HD21 LEU 283 HD21 LEU 283 -26.265 3.269 3.338 940 HD22 LEU 283 HD22 LEU 283 -24.658 3.079 4.034 941 HD23 LEU 283 HD23 LEU 283 -24.837 3.614 2.363 942 H LEU 284 HN LEU 284 -20.707 3.948 5.425 943 HA LEU 284 HA LEU 284 -19.038 6.166 4.504 944 HB2 LEU 284 HB2 LEU 284 -18.852 4.955 6.803 945 HB3 LEU 284 HB1 LEU 284 -18.023 3.707 5.892 946 HG LEU 284 HG LEU 284 -16.459 5.558 5.085 947 HD11 LEU 284 HD11 LEU 284 -16.290 7.469 6.676 948 HD12 LEU 284 HD12 LEU 284 -17.845 6.978 7.345 949 HD13 LEU 284 HD13 LEU 284 -17.731 7.486 5.661 950 HD21 LEU 284 HD21 LEU 284 -15.700 3.903 6.634 951 HD22 LEU 284 HD22 LEU 284 -16.528 4.701 7.968 952 HD23 LEU 284 HD23 LEU 284 -15.146 5.480 7.200 953 H ARG 285 HN ARG 285 -20.215 3.231 3.480 954 HA ARG 285 HA ARG 285 -19.916 1.979 1.625 955 HB2 ARG 285 HB2 ARG 285 -17.867 4.084 0.998 956 HB3 ARG 285 HB1 ARG 285 -18.094 2.682 -0.038 957 HG2 ARG 285 HG2 ARG 285 -19.334 4.409 -1.023 958 HG3 ARG 285 HG1 ARG 285 -20.528 3.399 -0.206 959 HD2 ARG 285 HD2 ARG 285 -20.663 4.945 1.619 960 HD3 ARG 285 HD1 ARG 285 -19.319 5.884 0.975 961 HE ARG 285 HE ARG 285 -21.648 5.660 -0.743 962 HH11 ARG 285 HH11 ARG 285 -19.939 7.505 1.678 963 HH12 ARG 285 HH12 ARG 285 -20.667 9.016 1.248 964 HH21 ARG 285 HH21 ARG 285 -22.652 7.643 -1.313 965 HH22 ARG 285 HH22 ARG 285 -22.235 9.090 -0.445 966 H ILE 286 HN ILE 286 -18.503 0.316 0.778 967 HA ILE 286 HA ILE 286 -16.304 -0.304 2.646 968 HB ILE 286 HB ILE 286 -16.850 -2.686 2.378 969 HG12 ILE 286 HG12 ILE 286 -19.294 -1.690 0.898 970 HG13 ILE 286 HG11 ILE 286 -17.934 -2.523 0.156 971 HG21 ILE 286 HG21 ILE 286 -18.892 -2.694 3.741 972 HG22 ILE 286 HG22 ILE 286 -19.155 -0.997 3.338 973 HG23 ILE 286 HG23 ILE 286 -17.742 -1.472 4.282 974 HD11 ILE 286 HD11 ILE 286 -18.441 -4.512 1.476 975 HD12 ILE 286 HD12 ILE 286 -19.812 -4.019 0.484 976 HD13 ILE 286 HD13 ILE 286 -19.804 -3.672 2.213 977 HH31 ALY 287 HH1 ALY 287 -6.975 0.982 -1.058 978 HH32 ALY 287 HH2 ALY 287 -6.937 2.172 0.246 979 HH33 ALY 287 HH3 ALY 287 -7.004 0.451 0.625 980 HZ ALY 287 HZ1 ALY 287 -9.000 0.302 -1.803 981 HE3 ALY 287 HE2 ALY 287 -11.309 1.703 -1.493 982 HE2 ALY 287 HE1 ALY 287 -11.403 0.447 -0.256 983 HD3 ALY 287 HD2 ALY 287 -11.243 -1.281 -1.901 984 HD2 ALY 287 HD1 ALY 287 -10.889 -0.111 -3.173 985 HG3 ALY 287 HG2 ALY 287 -13.198 -0.910 -3.277 986 HG2 ALY 287 HG1 ALY 287 -13.108 0.824 -2.986 987 HB3 ALY 287 HB2 ALY 287 -13.441 0.372 -0.565 988 HB2 ALY 287 HB1 ALY 287 -13.689 -1.324 -0.962 989 HCA ALY 287 HA ALY 287 -15.345 0.903 -2.104 990 H ALY 287 HN ALY 287 -16.607 0.836 -0.215 991 H GLN 288 HN GLN 288 -15.914 0.171 -4.030 992 HA GLN 288 HA GLN 288 -17.432 -2.272 -4.175 993 HB2 GLN 288 HB2 GLN 288 -16.828 -0.139 -6.220 994 HB3 GLN 288 HB1 GLN 288 -17.821 -1.553 -6.552 995 HG2 GLN 288 HG2 GLN 288 -18.395 0.520 -4.448 996 HG3 GLN 288 HG1 GLN 288 -19.152 0.438 -6.036 997 HE21 GLN 288 HE21 GLN 288 -20.654 -1.177 -6.460 998 HE22 GLN 288 HE22 GLN 288 -21.384 -2.106 -5.198 999 H PHE 289 HN PHE 289 -14.978 -3.062 -3.572 1000 HA PHE 289 HA PHE 289 -13.766 -4.081 -6.033 1001 HB2 PHE 289 HB2 PHE 289 -12.974 -4.129 -3.130 1002 HB3 PHE 289 HB1 PHE 289 -12.249 -5.267 -4.258 1003 HD1 PHE 289 HD1 PHE 289 -13.047 -2.181 -5.824 1004 HD2 PHE 289 HD2 PHE 289 -10.141 -4.088 -3.369 1005 HE1 PHE 289 HE1 PHE 289 -11.386 -0.488 -6.480 1006 HE2 PHE 289 HE2 PHE 289 -8.483 -2.393 -4.013 1007 HZ PHE 289 HZ PHE 289 -9.102 -0.589 -5.571 1008 H LEU 290 HN LEU 290 -16.130 -4.977 -6.153 1009 HA LEU 290 HA LEU 290 -16.683 -7.208 -4.401 1010 HB2 LEU 290 HB2 LEU 290 -18.281 -6.243 -6.767 1011 HB3 LEU 290 HB1 LEU 290 -18.838 -7.273 -5.464 1012 HG LEU 290 HG LEU 290 -18.078 -4.363 -5.207 1013 HD11 LEU 290 HD11 LEU 290 -20.166 -4.669 -6.397 1014 HD12 LEU 290 HD12 LEU 290 -20.469 -4.034 -4.779 1015 HD13 LEU 290 HD13 LEU 290 -20.757 -5.740 -5.127 1016 HD21 LEU 290 HD21 LEU 290 -17.551 -5.565 -3.170 1017 HD22 LEU 290 HD22 LEU 290 -19.151 -6.304 -3.164 1018 HD23 LEU 290 HD23 LEU 290 -18.984 -4.564 -2.927 1019 H GLN 291 HN GLN 291 -14.609 -8.210 -5.388 1020 HA GLN 291 HA GLN 291 -15.367 -9.763 -7.762 1021 HB2 GLN 291 HB2 GLN 291 -12.943 -10.359 -7.896 1022 HB3 GLN 291 HB1 GLN 291 -13.286 -8.652 -8.122 1023 HG2 GLN 291 HG2 GLN 291 -12.528 -8.145 -5.907 1024 HG3 GLN 291 HG1 GLN 291 -12.351 -9.860 -5.530 1025 HE21 GLN 291 HE21 GLN 291 -10.189 -9.701 -5.066 1026 HE22 GLN 291 HE22 GLN 291 -8.988 -9.434 -6.279 1027 H SER 292 HN SER 292 -16.618 -11.315 -6.876 1028 HA SER 292 HA SER 292 -15.539 -12.921 -4.691 1029 HB2 SER 292 HB2 SER 292 -17.955 -12.083 -4.725 1030 HB3 SER 292 HB1 SER 292 -18.234 -13.239 -6.025 1031 HG SER 292 HG SER 292 -18.004 -14.879 -4.653 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 20.013 13.945 -2.628 2 H2 GLY 1 HT2 GLY 1 21.510 13.214 -2.895 3 H3 GLY 1 HT3 GLY 1 20.587 12.770 -1.554 4 HA2 GLY 1 HA1 GLY 1 18.856 11.905 -3.043 5 HA3 GLY 1 HA2 GLY 1 19.906 12.288 -4.401 6 H LYS 2 HN LYS 2 20.198 10.233 -5.135 7 HA LYS 2 HA LYS 2 21.146 8.193 -5.351 8 HB2 LYS 2 HB2 LYS 2 22.719 9.065 -2.936 9 HB3 LYS 2 HB1 LYS 2 22.993 7.550 -3.780 10 HG2 LYS 2 HG2 LYS 2 23.248 10.297 -4.982 11 HG3 LYS 2 HG1 LYS 2 24.582 9.267 -4.459 12 HD2 LYS 2 HD2 LYS 2 23.796 7.549 -6.094 13 HD3 LYS 2 HD1 LYS 2 22.621 8.723 -6.685 14 HE2 LYS 2 HE2 LYS 2 24.538 8.770 -8.122 15 HE3 LYS 2 HE1 LYS 2 24.492 10.267 -7.194 16 HZ1 LYS 2 HZ1 LYS 2 26.718 9.418 -7.253 17 HZ2 LYS 2 HZ2 LYS 2 26.223 7.914 -6.667 18 HZ3 LYS 2 HZ3 LYS 2 26.134 9.278 -5.673 19 H LEU 3 HN LEU 3 21.378 6.028 -4.308 20 HA LEU 3 HA LEU 3 19.313 5.683 -2.237 21 HB2 LEU 3 HB2 LEU 3 20.142 3.853 -4.491 22 HB3 LEU 3 HB1 LEU 3 19.154 3.328 -3.144 23 HG LEU 3 HG LEU 3 18.363 5.510 -5.070 24 HD11 LEU 3 HD11 LEU 3 17.417 2.647 -4.906 25 HD12 LEU 3 HD12 LEU 3 18.511 3.285 -6.134 26 HD13 LEU 3 HD13 LEU 3 16.856 3.882 -6.035 27 HD21 LEU 3 HD21 LEU 3 17.388 5.656 -2.792 28 HD22 LEU 3 HD22 LEU 3 16.746 4.026 -3.000 29 HD23 LEU 3 HD23 LEU 3 16.189 5.334 -4.044 30 H SER 4 HN SER 4 20.314 5.421 -0.352 31 HA SER 4 HA SER 4 22.839 4.136 -0.060 32 HB2 SER 4 HB2 SER 4 22.178 5.766 1.614 33 HB3 SER 4 HB1 SER 4 20.708 4.861 1.973 34 HG SER 4 HG SER 4 22.299 4.462 3.531 35 H GLU 5 HN GLU 5 22.925 2.163 1.577 36 HA GLU 5 HA GLU 5 21.973 -0.057 0.207 37 HB2 GLU 5 HB2 GLU 5 23.840 -0.120 1.808 38 HB3 GLU 5 HB1 GLU 5 22.712 0.126 3.133 39 HG2 GLU 5 HG2 GLU 5 23.297 -2.183 3.040 40 HG3 GLU 5 HG1 GLU 5 21.617 -2.008 2.538 41 H GLN 6 HN GLN 6 20.636 1.538 3.056 42 HA GLN 6 HA GLN 6 18.507 -0.224 3.541 43 HB2 GLN 6 HB2 GLN 6 18.894 2.703 4.160 44 HB3 GLN 6 HB1 GLN 6 17.448 1.831 4.652 45 HG2 GLN 6 HG2 GLN 6 19.279 2.115 6.379 46 HG3 GLN 6 HG1 GLN 6 18.629 0.493 6.159 47 HE21 GLN 6 HE21 GLN 6 19.930 -1.099 5.279 48 HE22 GLN 6 HE22 GLN 6 21.644 -0.913 5.133 49 H LEU 7 HN LEU 7 18.725 2.674 1.517 50 HA LEU 7 HA LEU 7 15.966 2.643 0.804 51 HB2 LEU 7 HB2 LEU 7 18.323 4.108 -0.368 52 HB3 LEU 7 HB1 LEU 7 16.677 4.331 -0.927 53 HG LEU 7 HG LEU 7 17.574 4.852 1.900 54 HD11 LEU 7 HD11 LEU 7 18.658 6.381 0.328 55 HD12 LEU 7 HD12 LEU 7 17.466 7.213 1.324 56 HD13 LEU 7 HD13 LEU 7 17.086 6.798 -0.348 57 HD21 LEU 7 HD21 LEU 7 15.269 4.413 1.916 58 HD22 LEU 7 HD22 LEU 7 15.007 5.298 0.416 59 HD23 LEU 7 HD23 LEU 7 15.409 6.169 1.894 60 H LYS 8 HN LYS 8 18.896 1.342 -0.589 61 HA LYS 8 HA LYS 8 17.778 0.548 -3.073 62 HB2 LYS 8 HB2 LYS 8 20.203 0.692 -2.677 63 HB3 LYS 8 HB1 LYS 8 20.088 -0.615 -1.514 64 HG2 LYS 8 HG2 LYS 8 20.970 -1.388 -3.649 65 HG3 LYS 8 HG1 LYS 8 19.428 -2.159 -3.270 66 HD2 LYS 8 HD2 LYS 8 19.502 -1.525 -5.611 67 HD3 LYS 8 HD1 LYS 8 18.287 -0.576 -4.759 68 HE2 LYS 8 HE2 LYS 8 19.547 0.833 -6.281 69 HE3 LYS 8 HE1 LYS 8 19.868 1.295 -4.611 70 HZ1 LYS 8 HZ1 LYS 8 21.950 0.081 -4.707 71 HZ2 LYS 8 HZ2 LYS 8 21.887 1.231 -5.941 72 HZ3 LYS 8 HZ3 LYS 8 21.630 -0.400 -6.297 73 H HIS 9 HN HIS 9 18.008 -0.962 0.108 74 HA HIS 9 HA HIS 9 16.907 -3.456 -0.617 75 HB2 HIS 9 HB2 HIS 9 17.981 -2.580 1.665 76 HB3 HIS 9 HB1 HIS 9 16.290 -2.305 2.067 77 HD1 HIS 9 HD1 HIS 9 18.761 -4.754 2.506 78 HD2 HIS 9 HD2 HIS 9 14.761 -4.901 1.380 79 HE1 HIS 9 HE1 HIS 9 18.018 -7.113 2.954 80 HE2 HIS 9 HE2 HIS 9 15.633 -7.214 2.150 81 H CYS 10 HN CYS 10 15.492 -0.339 0.174 82 HA CYS 10 HA CYS 10 12.807 -1.180 0.392 83 HB2 CYS 10 HB2 CYS 10 13.906 1.480 -0.538 84 HB3 CYS 10 HB1 CYS 10 12.239 1.176 -0.025 85 HG CYS 10 HG CYS 10 14.969 0.813 2.005 86 H ASN 11 HN ASN 11 14.734 -0.019 -2.320 87 HA ASN 11 HA ASN 11 12.801 0.008 -4.307 88 HB2 ASN 11 HB2 ASN 11 15.083 0.863 -4.658 89 HB3 ASN 11 HB1 ASN 11 15.716 -0.770 -4.521 90 HD21 ASN 11 HD21 ASN 11 15.780 -2.055 -6.271 91 HD22 ASN 11 HD22 ASN 11 15.168 -1.616 -7.829 92 H GLY 12 HN GLY 12 14.736 -2.660 -3.056 93 HA2 GLY 12 HA2 GLY 12 13.843 -4.583 -4.965 94 HA3 GLY 12 HA1 GLY 12 14.671 -4.929 -3.456 95 H ILE 13 HN ILE 13 12.711 -3.655 -1.766 96 HA ILE 13 HA ILE 13 10.892 -5.836 -1.485 97 HB ILE 13 HB ILE 13 10.991 -3.172 -0.089 98 HG12 ILE 13 HG12 ILE 13 11.816 -5.903 0.894 99 HG13 ILE 13 HG11 ILE 13 12.943 -4.709 0.263 100 HG21 ILE 13 HG21 ILE 13 9.070 -5.355 0.075 101 HG22 ILE 13 HG22 ILE 13 8.882 -3.654 0.472 102 HG23 ILE 13 HG23 ILE 13 9.649 -4.751 1.620 103 HD11 ILE 13 HD11 ILE 13 11.329 -4.626 2.779 104 HD12 ILE 13 HD12 ILE 13 12.088 -3.185 2.106 105 HD13 ILE 13 HD13 ILE 13 13.079 -4.561 2.593 106 H LEU 14 HN LEU 14 10.450 -2.394 -2.263 107 HA LEU 14 HA LEU 14 7.729 -2.380 -2.741 108 HB2 LEU 14 HB2 LEU 14 9.681 -0.527 -2.845 109 HB3 LEU 14 HB1 LEU 14 9.464 -0.811 -4.559 110 HG LEU 14 HG LEU 14 7.213 -0.093 -2.714 111 HD11 LEU 14 HD11 LEU 14 9.106 1.593 -4.298 112 HD12 LEU 14 HD12 LEU 14 8.633 1.758 -2.606 113 HD13 LEU 14 HD13 LEU 14 7.487 2.160 -3.888 114 HD21 LEU 14 HD21 LEU 14 6.725 -1.239 -4.923 115 HD22 LEU 14 HD22 LEU 14 7.423 0.189 -5.701 116 HD23 LEU 14 HD23 LEU 14 5.987 0.353 -4.695 117 H LYS 15 HN LYS 15 10.373 -2.920 -5.012 118 HA LYS 15 HA LYS 15 9.211 -3.390 -7.386 119 HB2 LYS 15 HB2 LYS 15 11.648 -3.545 -6.551 120 HB3 LYS 15 HB1 LYS 15 11.271 -5.217 -6.164 121 HG2 LYS 15 HG2 LYS 15 10.927 -4.042 -8.851 122 HG3 LYS 15 HG1 LYS 15 12.408 -4.808 -8.325 123 HD2 LYS 15 HD2 LYS 15 11.329 -6.905 -8.090 124 HD3 LYS 15 HD1 LYS 15 9.737 -6.172 -8.311 125 HE2 LYS 15 HE2 LYS 15 10.244 -5.631 -10.591 126 HE3 LYS 15 HE1 LYS 15 11.907 -6.177 -10.387 127 HZ1 LYS 15 HZ1 LYS 15 11.121 -8.416 -10.070 128 HZ2 LYS 15 HZ2 LYS 15 10.481 -7.817 -11.516 129 HZ3 LYS 15 HZ3 LYS 15 9.510 -7.912 -10.133 130 H GLU 16 HN GLU 16 9.887 -5.706 -4.968 131 HA GLU 16 HA GLU 16 8.740 -7.957 -6.125 132 HB2 GLU 16 HB2 GLU 16 10.272 -8.100 -4.214 133 HB3 GLU 16 HB1 GLU 16 9.059 -7.367 -3.170 134 HG2 GLU 16 HG2 GLU 16 7.630 -9.437 -4.018 135 HG3 GLU 16 HG1 GLU 16 9.227 -10.129 -4.233 136 H LEU 17 HN LEU 17 7.279 -5.780 -3.709 137 HA LEU 17 HA LEU 17 4.767 -7.082 -3.583 138 HB2 LEU 17 HB2 LEU 17 5.398 -4.153 -3.137 139 HB3 LEU 17 HB1 LEU 17 3.944 -4.971 -2.617 140 HG LEU 17 HG LEU 17 6.613 -5.902 -1.618 141 HD11 LEU 17 HD11 LEU 17 6.437 -3.450 -1.294 142 HD12 LEU 17 HD12 LEU 17 6.485 -4.361 0.212 143 HD13 LEU 17 HD13 LEU 17 4.955 -3.711 -0.380 144 HD21 LEU 17 HD21 LEU 17 4.675 -7.300 -1.130 145 HD22 LEU 17 HD22 LEU 17 3.817 -5.911 -0.478 146 HD23 LEU 17 HD23 LEU 17 5.251 -6.524 0.340 147 H LEU 18 HN LEU 18 6.199 -4.992 -5.926 148 HA LEU 18 HA LEU 18 3.695 -4.400 -7.288 149 HB2 LEU 18 HB2 LEU 18 6.566 -3.727 -7.849 150 HB3 LEU 18 HB1 LEU 18 5.279 -3.353 -8.969 151 HG LEU 18 HG LEU 18 5.537 -2.295 -6.163 152 HD11 LEU 18 HD11 LEU 18 7.163 -1.263 -7.497 153 HD12 LEU 18 HD12 LEU 18 5.811 -0.131 -7.447 154 HD13 LEU 18 HD13 LEU 18 6.074 -1.131 -8.878 155 HD21 LEU 18 HD21 LEU 18 3.584 -1.131 -6.452 156 HD22 LEU 18 HD22 LEU 18 3.185 -2.660 -7.220 157 HD23 LEU 18 HD23 LEU 18 3.622 -1.266 -8.205 158 H SER 19 HN SER 19 5.927 -6.908 -7.277 159 HA SER 19 HA SER 19 5.865 -7.491 -10.097 160 HB2 SER 19 HB2 SER 19 6.926 -9.118 -7.778 161 HB3 SER 19 HB1 SER 19 7.193 -9.469 -9.486 162 HG SER 19 HG SER 19 7.908 -6.993 -8.305 163 H LYS 20 HN LYS 20 5.139 -9.487 -10.982 164 HA LYS 20 HA LYS 20 2.407 -9.795 -10.608 165 HB2 LYS 20 HB2 LYS 20 4.438 -11.360 -12.162 166 HB3 LYS 20 HB1 LYS 20 2.745 -11.848 -12.120 167 HG2 LYS 20 HG2 LYS 20 3.629 -9.093 -12.908 168 HG3 LYS 20 HG1 LYS 20 3.413 -10.406 -14.070 169 HD2 LYS 20 HD2 LYS 20 1.071 -10.623 -13.360 170 HD3 LYS 20 HD1 LYS 20 1.300 -9.305 -12.212 171 HE2 LYS 20 HE2 LYS 20 1.805 -7.784 -14.071 172 HE3 LYS 20 HE1 LYS 20 1.559 -9.108 -15.211 173 HZ1 LYS 20 HZ1 LYS 20 -0.492 -7.971 -13.388 174 HZ2 LYS 20 HZ2 LYS 20 -0.736 -9.274 -14.434 175 HZ3 LYS 20 HZ3 LYS 20 -0.408 -7.738 -15.061 176 H LYS 21 HN LYS 21 4.992 -11.439 -9.047 177 HA LYS 21 HA LYS 21 3.772 -13.799 -8.229 178 HB2 LYS 21 HB2 LYS 21 6.101 -13.413 -7.775 179 HB3 LYS 21 HB1 LYS 21 5.734 -12.004 -6.801 180 HG2 LYS 21 HG2 LYS 21 4.602 -13.449 -5.171 181 HG3 LYS 21 HG1 LYS 21 5.061 -14.858 -6.119 182 HD2 LYS 21 HD2 LYS 21 7.466 -13.982 -5.862 183 HD3 LYS 21 HD1 LYS 21 6.797 -12.985 -4.567 184 HE2 LYS 21 HE2 LYS 21 7.531 -14.914 -3.472 185 HE3 LYS 21 HE1 LYS 21 5.794 -15.146 -3.673 186 HZ1 LYS 21 HZ1 LYS 21 7.894 -16.308 -5.409 187 HZ2 LYS 21 HZ2 LYS 21 6.230 -16.525 -5.598 188 HZ3 LYS 21 HZ3 LYS 21 7.013 -17.143 -4.234 189 H HIS 22 HN HIS 22 3.478 -10.527 -6.976 190 HA HIS 22 HA HIS 22 1.589 -11.523 -4.954 191 HB2 HIS 22 HB2 HIS 22 3.146 -8.914 -5.017 192 HB3 HIS 22 HB1 HIS 22 2.002 -9.381 -3.752 193 HD1 HIS 22 HD1 HIS 22 2.735 -11.530 -2.274 194 HD2 HIS 22 HD2 HIS 22 5.690 -9.835 -4.668 195 HE1 HIS 22 HE1 HIS 22 4.901 -12.405 -1.358 196 HE2 HIS 22 HE2 HIS 22 6.682 -11.132 -2.632 197 H ALA 23 HN ALA 23 1.807 -9.874 -7.871 198 HA ALA 23 HA ALA 23 0.083 -7.760 -7.776 199 HB1 ALA 23 HB1 ALA 23 1.417 -8.448 -9.716 200 HB2 ALA 23 HB2 ALA 23 -0.249 -8.048 -10.136 201 HB3 ALA 23 HB3 ALA 23 0.255 -9.736 -10.035 202 H ALA 24 HN ALA 24 -0.776 -11.149 -7.968 203 HA ALA 24 HA ALA 24 -3.463 -10.992 -8.616 204 HB1 ALA 24 HB1 ALA 24 -1.808 -12.930 -7.063 205 HB2 ALA 24 HB2 ALA 24 -2.557 -13.117 -8.652 206 HB3 ALA 24 HB3 ALA 24 -3.553 -13.163 -7.196 207 H TYR 25 HN TYR 25 -1.886 -10.182 -5.637 208 HA TYR 25 HA TYR 25 -4.475 -9.408 -4.512 209 HB2 TYR 25 HB2 TYR 25 -3.556 -10.212 -2.236 210 HB3 TYR 25 HB1 TYR 25 -4.176 -11.420 -3.358 211 HD1 TYR 25 HD1 TYR 25 -1.043 -9.910 -2.063 212 HD2 TYR 25 HD2 TYR 25 -2.834 -13.185 -4.096 213 HE1 TYR 25 HE1 TYR 25 1.059 -11.180 -1.885 214 HE2 TYR 25 HE2 TYR 25 -0.730 -14.446 -3.940 215 HH TYR 25 HH TYR 25 1.624 -14.068 -3.639 216 H ALA 26 HN ALA 26 -1.945 -8.184 -5.729 217 HA ALA 26 HA ALA 26 -1.412 -6.250 -3.569 218 HB1 ALA 26 HB1 ALA 26 0.623 -7.440 -4.268 219 HB2 ALA 26 HB2 ALA 26 0.701 -5.730 -4.699 220 HB3 ALA 26 HB3 ALA 26 0.337 -6.931 -5.935 221 H TRP 27 HN TRP 27 -2.962 -6.676 -6.535 222 HA TRP 27 HA TRP 27 -2.455 -4.291 -7.849 223 HB2 TRP 27 HB2 TRP 27 -4.659 -4.600 -8.991 224 HB3 TRP 27 HB1 TRP 27 -3.584 -5.986 -9.061 225 HD1 TRP 27 HD1 TRP 27 -4.392 -8.218 -7.889 226 HE1 TRP 27 HE1 TRP 27 -6.683 -8.999 -7.022 227 HE3 TRP 27 HE3 TRP 27 -6.814 -3.706 -7.801 228 HZ2 TRP 27 HZ2 TRP 27 -9.185 -7.860 -6.390 229 HZ3 TRP 27 HZ3 TRP 27 -9.160 -3.647 -7.061 230 HH2 TRP 27 HH2 TRP 27 -10.316 -5.682 -6.367 231 HA PRO 28 HA PRO 28 -6.201 -2.299 -5.290 232 HB2 PRO 28 HB2 PRO 28 -5.558 -2.843 -2.588 233 HB3 PRO 28 HB1 PRO 28 -7.022 -3.329 -3.442 234 HG2 PRO 28 HG2 PRO 28 -4.632 -4.892 -2.749 235 HG3 PRO 28 HG1 PRO 28 -6.266 -5.449 -3.145 236 HD2 PRO 28 HD2 PRO 28 -4.107 -5.729 -4.809 237 HD3 PRO 28 HD1 PRO 28 -5.786 -5.660 -5.370 238 H PHE 29 HN PHE 29 -2.836 -2.800 -4.643 239 HA PHE 29 HA PHE 29 -2.677 -0.167 -3.317 240 HB2 PHE 29 HB2 PHE 29 -0.446 -2.134 -3.101 241 HB3 PHE 29 HB1 PHE 29 -0.983 -0.906 -1.953 242 HD1 PHE 29 HD1 PHE 29 -0.848 -4.326 -2.601 243 HD2 PHE 29 HD2 PHE 29 -3.437 -1.342 -1.007 244 HE1 PHE 29 HE1 PHE 29 -2.077 -6.051 -1.373 245 HE2 PHE 29 HE2 PHE 29 -4.672 -3.077 0.224 246 HZ PHE 29 HZ PHE 29 -3.988 -5.431 0.037 247 H TYR 30 HN TYR 30 -1.846 -1.791 -6.168 248 HA TYR 30 HA TYR 30 0.569 -0.545 -6.862 249 HB2 TYR 30 HB2 TYR 30 -1.771 -1.451 -8.538 250 HB3 TYR 30 HB1 TYR 30 -0.334 -0.740 -9.260 251 HD1 TYR 30 HD1 TYR 30 0.550 -2.527 -6.380 252 HD2 TYR 30 HD2 TYR 30 -0.486 -3.090 -10.453 253 HE1 TYR 30 HE1 TYR 30 1.658 -4.712 -6.343 254 HE2 TYR 30 HE2 TYR 30 0.609 -5.290 -10.430 255 HH TYR 30 HH TYR 30 1.814 -6.701 -7.462 256 H LYS 31 HN LYS 31 -2.765 0.487 -7.536 257 HA LYS 31 HA LYS 31 -1.852 3.272 -7.557 258 HB2 LYS 31 HB2 LYS 31 -3.717 1.945 -9.520 259 HB3 LYS 31 HB1 LYS 31 -3.507 3.689 -9.398 260 HG2 LYS 31 HG2 LYS 31 -1.143 3.438 -9.956 261 HG3 LYS 31 HG1 LYS 31 -1.361 1.696 -10.080 262 HD2 LYS 31 HD2 LYS 31 -2.626 3.818 -11.807 263 HD3 LYS 31 HD1 LYS 31 -1.388 2.663 -12.291 264 HE2 LYS 31 HE2 LYS 31 -4.227 2.027 -11.493 265 HE3 LYS 31 HE1 LYS 31 -3.560 1.970 -13.121 266 HZ1 LYS 31 HZ1 LYS 31 -2.022 0.224 -12.316 267 HZ2 LYS 31 HZ2 LYS 31 -3.645 -0.231 -12.254 268 HZ3 LYS 31 HZ3 LYS 31 -2.842 0.216 -10.837 269 HA PRO 32 HA PRO 32 -5.092 4.068 -4.692 270 HB2 PRO 32 HB2 PRO 32 -6.162 6.409 -5.694 271 HB3 PRO 32 HB1 PRO 32 -4.695 6.320 -4.715 272 HG2 PRO 32 HG2 PRO 32 -4.983 6.509 -7.683 273 HG3 PRO 32 HG1 PRO 32 -3.825 7.319 -6.613 274 HD2 PRO 32 HD2 PRO 32 -3.113 5.195 -8.075 275 HD3 PRO 32 HD1 PRO 32 -2.482 5.436 -6.434 276 H VAL 33 HN VAL 33 -7.360 4.083 -4.403 277 HA VAL 33 HA VAL 33 -8.737 2.487 -6.291 278 HB VAL 33 HB VAL 33 -10.399 2.259 -4.735 279 HG11 VAL 33 HG11 VAL 33 -8.299 1.671 -3.683 280 HG12 VAL 33 HG12 VAL 33 -9.467 2.254 -2.501 281 HG13 VAL 33 HG13 VAL 33 -8.154 3.303 -3.036 282 HG21 VAL 33 HG21 VAL 33 -11.592 4.077 -4.265 283 HG22 VAL 33 HG22 VAL 33 -10.195 5.140 -4.463 284 HG23 VAL 33 HG23 VAL 33 -10.474 4.331 -2.921 285 H ASP 34 HN ASP 34 -10.588 3.005 -7.538 286 HA ASP 34 HA ASP 34 -10.596 5.785 -8.448 287 HB2 ASP 34 HB2 ASP 34 -11.976 3.332 -9.577 288 HB3 ASP 34 HB1 ASP 34 -12.144 4.950 -10.239 289 H ALA 35 HN ALA 35 -11.478 6.457 -6.397 290 HA ALA 35 HA ALA 35 -13.690 5.389 -5.155 291 HB1 ALA 35 HB1 ALA 35 -13.389 6.997 -3.626 292 HB2 ALA 35 HB2 ALA 35 -13.420 8.288 -4.832 293 HB3 ALA 35 HB3 ALA 35 -11.942 7.362 -4.569 294 H SER 36 HN SER 36 -13.632 7.898 -7.662 295 HA SER 36 HA SER 36 -16.371 8.565 -7.449 296 HB2 SER 36 HB2 SER 36 -14.542 8.806 -9.847 297 HB3 SER 36 HB1 SER 36 -16.090 9.625 -9.646 298 HG SER 36 HG SER 36 -14.752 10.199 -7.491 299 H ALA 37 HN ALA 37 -14.654 6.254 -9.547 300 HA ALA 37 HA ALA 37 -17.025 5.340 -10.856 301 HB1 ALA 37 HB1 ALA 37 -14.279 4.114 -10.639 302 HB2 ALA 37 HB2 ALA 37 -14.881 5.130 -11.950 303 HB3 ALA 37 HB3 ALA 37 -15.565 3.524 -11.693 304 H LEU 38 HN LEU 38 -15.371 4.568 -7.934 305 HA LEU 38 HA LEU 38 -16.679 2.039 -7.502 306 HB2 LEU 38 HB2 LEU 38 -14.941 3.809 -5.800 307 HB3 LEU 38 HB1 LEU 38 -15.651 2.329 -5.186 308 HG LEU 38 HG LEU 38 -13.904 2.352 -7.638 309 HD11 LEU 38 HD11 LEU 38 -13.077 2.134 -4.749 310 HD12 LEU 38 HD12 LEU 38 -12.518 3.289 -5.956 311 HD13 LEU 38 HD13 LEU 38 -12.086 1.588 -6.099 312 HD21 LEU 38 HD21 LEU 38 -14.599 0.192 -5.652 313 HD22 LEU 38 HD22 LEU 38 -13.604 0.007 -7.098 314 HD23 LEU 38 HD23 LEU 38 -15.319 0.385 -7.252 315 H GLY 39 HN GLY 39 -17.666 5.207 -7.288 316 HA2 GLY 39 HA2 GLY 39 -19.742 6.007 -6.633 317 HA3 GLY 39 HA1 GLY 39 -20.078 4.448 -5.894 318 H LEU 40 HN LEU 40 -17.101 5.607 -4.924 319 HA LEU 40 HA LEU 40 -18.079 6.089 -2.255 320 HB2 LEU 40 HB2 LEU 40 -15.236 6.312 -3.214 321 HB3 LEU 40 HB1 LEU 40 -15.810 5.972 -1.591 322 HG LEU 40 HG LEU 40 -15.875 4.137 -3.976 323 HD11 LEU 40 HD11 LEU 40 -13.819 3.789 -3.135 324 HD12 LEU 40 HD12 LEU 40 -14.700 2.747 -2.030 325 HD13 LEU 40 HD13 LEU 40 -14.244 4.370 -1.530 326 HD21 LEU 40 HD21 LEU 40 -17.148 3.780 -1.278 327 HD22 LEU 40 HD22 LEU 40 -16.934 2.495 -2.461 328 HD23 LEU 40 HD23 LEU 40 -17.967 3.872 -2.832 329 H HIS 41 HN HIS 41 -18.887 8.016 -1.832 330 HA HIS 41 HA HIS 41 -18.004 10.387 -3.266 331 HB2 HIS 41 HB2 HIS 41 -20.011 10.315 -1.010 332 HB3 HIS 41 HB1 HIS 41 -19.879 11.489 -2.310 333 HD1 HIS 41 HD1 HIS 41 -20.998 10.939 -4.534 334 HD2 HIS 41 HD2 HIS 41 -21.342 7.882 -1.716 335 HE1 HIS 41 HE1 HIS 41 -22.690 9.336 -5.471 336 HE2 HIS 41 HE2 HIS 41 -22.737 7.417 -3.845 337 H ASP 42 HN ASP 42 -17.157 8.794 -0.433 338 HA ASP 42 HA ASP 42 -16.246 11.275 0.857 339 HB2 ASP 42 HB2 ASP 42 -17.496 8.845 2.105 340 HB3 ASP 42 HB1 ASP 42 -16.693 10.101 3.039 341 H TYR 43 HN TYR 43 -14.631 9.646 -0.864 342 HA TYR 43 HA TYR 43 -13.189 7.775 0.744 343 HB2 TYR 43 HB2 TYR 43 -13.386 7.371 -1.627 344 HB3 TYR 43 HB1 TYR 43 -12.606 8.895 -2.005 345 HD1 TYR 43 HD1 TYR 43 -12.048 5.587 -0.484 346 HD2 TYR 43 HD2 TYR 43 -10.247 9.019 -2.205 347 HE1 TYR 43 HE1 TYR 43 -9.898 4.414 -0.532 348 HE2 TYR 43 HE2 TYR 43 -8.082 7.856 -2.261 349 HH TYR 43 HH TYR 43 -7.788 4.471 -1.510 350 H HIS 44 HN HIS 44 -12.513 11.040 -0.452 351 HA HIS 44 HA HIS 44 -9.846 11.040 0.602 352 HB2 HIS 44 HB2 HIS 44 -11.583 13.195 -0.582 353 HB3 HIS 44 HB1 HIS 44 -9.991 13.542 0.081 354 HD1 HIS 44 HD1 HIS 44 -7.969 12.901 -1.304 355 HD2 HIS 44 HD2 HIS 44 -11.563 11.620 -2.962 356 HE1 HIS 44 HE1 HIS 44 -7.402 12.111 -3.624 357 HE2 HIS 44 HE2 HIS 44 -9.593 11.376 -4.623 358 H ASP 45 HN ASP 45 -12.952 11.735 1.870 359 HA ASP 45 HA ASP 45 -12.064 13.449 3.986 360 HB2 ASP 45 HB2 ASP 45 -14.634 11.953 3.499 361 HB3 ASP 45 HB1 ASP 45 -14.354 12.869 4.976 362 H ILE 46 HN ILE 46 -12.627 10.003 3.617 363 HA ILE 46 HA ILE 46 -12.050 9.493 6.408 364 HB ILE 46 HB ILE 46 -12.763 7.739 4.080 365 HG12 ILE 46 HG12 ILE 46 -14.479 6.945 5.724 366 HG13 ILE 46 HG11 ILE 46 -13.930 8.203 6.825 367 HG21 ILE 46 HG21 ILE 46 -11.283 6.232 4.896 368 HG22 ILE 46 HG22 ILE 46 -12.632 5.883 5.972 369 HG23 ILE 46 HG23 ILE 46 -11.310 6.912 6.518 370 HD11 ILE 46 HD11 ILE 46 -15.047 8.663 4.077 371 HD12 ILE 46 HD12 ILE 46 -14.588 9.903 5.245 372 HD13 ILE 46 HD13 ILE 46 -15.945 8.830 5.587 373 H ILE 47 HN ILE 47 -10.453 9.102 3.284 374 HA ILE 47 HA ILE 47 -8.042 8.126 4.614 375 HB ILE 47 HB ILE 47 -8.500 8.533 1.661 376 HG12 ILE 47 HG12 ILE 47 -10.093 6.898 2.736 377 HG13 ILE 47 HG11 ILE 47 -9.068 6.216 1.478 378 HG21 ILE 47 HG21 ILE 47 -6.633 6.780 1.603 379 HG22 ILE 47 HG22 ILE 47 -6.368 7.203 3.293 380 HG23 ILE 47 HG23 ILE 47 -6.198 8.429 2.038 381 HD11 ILE 47 HD11 ILE 47 -8.671 5.960 4.444 382 HD12 ILE 47 HD12 ILE 47 -7.606 5.306 3.201 383 HD13 ILE 47 HD13 ILE 47 -9.247 4.713 3.345 384 H LYS 48 HN LYS 48 -7.009 9.817 5.560 385 HA LYS 48 HA LYS 48 -6.719 12.353 4.212 386 HB2 LYS 48 HB2 LYS 48 -5.663 11.276 6.817 387 HB3 LYS 48 HB1 LYS 48 -5.214 12.859 6.199 388 HG2 LYS 48 HG2 LYS 48 -8.040 11.977 6.726 389 HG3 LYS 48 HG1 LYS 48 -7.056 12.916 7.848 390 HD2 LYS 48 HD2 LYS 48 -6.999 14.776 6.399 391 HD3 LYS 48 HD1 LYS 48 -7.572 13.822 5.033 392 HE2 LYS 48 HE2 LYS 48 -9.314 15.278 5.933 393 HE3 LYS 48 HE1 LYS 48 -9.712 13.566 6.033 394 HZ1 LYS 48 HZ1 LYS 48 -8.722 15.259 8.262 395 HZ2 LYS 48 HZ2 LYS 48 -9.056 13.605 8.374 396 HZ3 LYS 48 HZ3 LYS 48 -10.306 14.701 8.072 397 H HIS 49 HN HIS 49 -4.874 9.454 4.692 398 HA HIS 49 HA HIS 49 -2.645 10.604 3.147 399 HB2 HIS 49 HB2 HIS 49 -1.371 8.621 4.306 400 HB3 HIS 49 HB1 HIS 49 -1.616 10.146 5.147 401 HD1 HIS 49 HD1 HIS 49 -3.148 6.680 4.960 402 HD2 HIS 49 HD2 HIS 49 -2.887 9.927 7.543 403 HE1 HIS 49 HE1 HIS 49 -4.206 5.918 7.115 404 HE2 HIS 49 HE2 HIS 49 -4.006 7.890 8.675 405 HA PRO 50 HA PRO 50 -4.389 7.067 0.621 406 HB2 PRO 50 HB2 PRO 50 -4.762 8.438 -1.665 407 HB3 PRO 50 HB1 PRO 50 -5.980 8.418 -0.382 408 HG2 PRO 50 HG2 PRO 50 -3.903 10.501 -0.984 409 HG3 PRO 50 HG1 PRO 50 -5.631 10.716 -0.643 410 HD2 PRO 50 HD2 PRO 50 -3.746 11.077 1.260 411 HD3 PRO 50 HD1 PRO 50 -5.357 10.422 1.636 412 H MET 51 HN MET 51 -2.399 6.043 0.531 413 HA MET 51 HA MET 51 -0.530 7.098 -1.482 414 HB2 MET 51 HB2 MET 51 0.491 7.364 0.687 415 HB3 MET 51 HB1 MET 51 0.110 5.708 1.139 416 HG2 MET 51 HG2 MET 51 2.502 6.088 0.542 417 HG3 MET 51 HG1 MET 51 1.709 4.848 -0.435 418 HE1 MET 51 HE1 MET 51 2.752 8.588 -0.291 419 HE2 MET 51 HE2 MET 51 1.136 8.750 -0.965 420 HE3 MET 51 HE3 MET 51 2.549 9.126 -1.953 421 H ASP 52 HN ASP 52 0.600 5.587 -2.716 422 HA ASP 52 HA ASP 52 -0.325 2.811 -2.663 423 HB2 ASP 52 HB2 ASP 52 -0.636 2.862 -5.133 424 HB3 ASP 52 HB1 ASP 52 -1.774 3.917 -4.301 425 H LEU 53 HN LEU 53 1.094 1.387 -3.878 426 HA LEU 53 HA LEU 53 3.777 1.855 -3.168 427 HB2 LEU 53 HB2 LEU 53 2.423 -0.264 -4.789 428 HB3 LEU 53 HB1 LEU 53 4.164 -0.239 -4.615 429 HG LEU 53 HG LEU 53 2.318 -0.244 -2.247 430 HD11 LEU 53 HD11 LEU 53 1.976 -2.201 -3.750 431 HD12 LEU 53 HD12 LEU 53 2.519 -2.610 -2.128 432 HD13 LEU 53 HD13 LEU 53 3.656 -2.641 -3.479 433 HD21 LEU 53 HD21 LEU 53 4.517 0.459 -1.708 434 HD22 LEU 53 HD22 LEU 53 5.236 -0.853 -2.632 435 HD23 LEU 53 HD23 LEU 53 4.342 -1.200 -1.152 436 H SER 54 HN SER 54 2.079 2.406 -6.145 437 HA SER 54 HA SER 54 4.383 2.635 -7.803 438 HB2 SER 54 HB2 SER 54 2.321 2.301 -8.924 439 HB3 SER 54 HB1 SER 54 1.541 3.634 -8.072 440 HG SER 54 HG SER 54 2.029 4.656 -9.847 441 H THR 55 HN THR 55 2.518 4.982 -5.909 442 HA THR 55 HA THR 55 4.097 7.233 -6.695 443 HB THR 55 HB THR 55 2.375 7.046 -4.225 444 HG1 THR 55 HG1 THR 55 1.012 6.512 -5.911 445 HG21 THR 55 HG21 THR 55 3.961 8.977 -4.618 446 HG22 THR 55 HG22 THR 55 2.270 9.397 -4.359 447 HG23 THR 55 HG23 THR 55 2.946 9.414 -5.990 448 H VAL 56 HN VAL 56 4.181 4.938 -4.022 449 HA VAL 56 HA VAL 56 6.097 6.218 -2.423 450 HB VAL 56 HB VAL 56 5.713 3.251 -2.890 451 HG11 VAL 56 HG11 VAL 56 7.925 3.738 -1.961 452 HG12 VAL 56 HG12 VAL 56 6.895 2.935 -0.773 453 HG13 VAL 56 HG13 VAL 56 7.177 4.673 -0.664 454 HG21 VAL 56 HG21 VAL 56 3.747 4.497 -1.998 455 HG22 VAL 56 HG22 VAL 56 4.735 4.970 -0.615 456 HG23 VAL 56 HG23 VAL 56 4.375 3.268 -0.899 457 H LYS 57 HN LYS 57 6.428 3.987 -5.130 458 HA LYS 57 HA LYS 57 9.250 3.962 -5.180 459 HB2 LYS 57 HB2 LYS 57 7.245 2.634 -6.512 460 HB3 LYS 57 HB1 LYS 57 7.946 3.632 -7.776 461 HG2 LYS 57 HG2 LYS 57 10.177 2.730 -7.171 462 HG3 LYS 57 HG1 LYS 57 9.380 1.638 -6.052 463 HD2 LYS 57 HD2 LYS 57 8.030 0.783 -7.980 464 HD3 LYS 57 HD1 LYS 57 9.088 1.728 -9.037 465 HE2 LYS 57 HE2 LYS 57 11.030 0.530 -8.177 466 HE3 LYS 57 HE1 LYS 57 9.983 -0.406 -7.107 467 HZ1 LYS 57 HZ1 LYS 57 9.790 -0.414 -10.072 468 HZ2 LYS 57 HZ2 LYS 57 8.944 -1.411 -9.001 469 HZ3 LYS 57 HZ3 LYS 57 10.618 -1.579 -9.169 470 H ARG 58 HN ARG 58 6.807 5.880 -6.818 471 HA ARG 58 HA ARG 58 8.388 7.383 -8.542 472 HB2 ARG 58 HB2 ARG 58 5.927 7.367 -8.485 473 HB3 ARG 58 HB1 ARG 58 5.960 8.254 -6.972 474 HG2 ARG 58 HG2 ARG 58 7.036 10.140 -8.118 475 HG3 ARG 58 HG1 ARG 58 6.917 9.260 -9.641 476 HD2 ARG 58 HD2 ARG 58 4.485 9.182 -9.397 477 HD3 ARG 58 HD1 ARG 58 4.617 10.060 -7.875 478 HE ARG 58 HE ARG 58 5.854 11.599 -9.835 479 HH11 ARG 58 HH11 ARG 58 2.660 10.362 -9.121 480 HH12 ARG 58 HH12 ARG 58 1.837 11.714 -9.830 481 HH21 ARG 58 HH21 ARG 58 4.768 13.389 -10.775 482 HH22 ARG 58 HH22 ARG 58 3.033 13.436 -10.759 483 H LYS 59 HN LYS 59 7.437 8.139 -5.205 484 HA LYS 59 HA LYS 59 9.035 10.495 -5.049 485 HB2 LYS 59 HB2 LYS 59 7.736 8.818 -2.893 486 HB3 LYS 59 HB1 LYS 59 8.505 10.376 -2.616 487 HG2 LYS 59 HG2 LYS 59 6.875 11.533 -3.824 488 HG3 LYS 59 HG1 LYS 59 6.283 10.065 -4.601 489 HD2 LYS 59 HD2 LYS 59 4.721 10.864 -2.899 490 HD3 LYS 59 HD1 LYS 59 5.379 9.286 -2.472 491 HE2 LYS 59 HE2 LYS 59 6.757 11.705 -1.433 492 HE3 LYS 59 HE1 LYS 59 5.208 11.265 -0.718 493 HZ1 LYS 59 HZ1 LYS 59 7.139 10.302 0.438 494 HZ2 LYS 59 HZ2 LYS 59 7.519 9.421 -0.950 495 HZ3 LYS 59 HZ3 LYS 59 6.070 9.122 -0.133 496 H MET 60 HN MET 60 9.611 7.107 -4.395 497 HA MET 60 HA MET 60 12.092 7.454 -3.048 498 HB2 MET 60 HB2 MET 60 10.880 5.296 -3.019 499 HB3 MET 60 HB1 MET 60 11.178 5.115 -4.745 500 HG2 MET 60 HG2 MET 60 13.689 5.446 -3.938 501 HG3 MET 60 HG1 MET 60 13.018 4.792 -2.448 502 HE1 MET 60 HE1 MET 60 11.464 2.673 -2.475 503 HE2 MET 60 HE2 MET 60 11.534 1.393 -3.679 504 HE3 MET 60 HE3 MET 60 10.659 2.883 -4.023 505 H GLU 61 HN GLU 61 11.134 7.233 -6.430 506 HA GLU 61 HA GLU 61 13.735 7.092 -7.528 507 HB2 GLU 61 HB2 GLU 61 11.115 8.066 -8.647 508 HB3 GLU 61 HB1 GLU 61 12.589 8.034 -9.598 509 HG2 GLU 61 HG2 GLU 61 12.742 5.602 -9.209 510 HG3 GLU 61 HG1 GLU 61 11.200 5.675 -8.353 511 H ASN 62 HN ASN 62 11.728 9.771 -6.492 512 HA ASN 62 HA ASN 62 13.590 11.759 -7.466 513 HB2 ASN 62 HB2 ASN 62 11.157 11.937 -5.687 514 HB3 ASN 62 HB1 ASN 62 12.219 13.314 -5.945 515 HD21 ASN 62 HD21 ASN 62 11.513 10.955 -8.436 516 HD22 ASN 62 HD22 ASN 62 10.578 12.013 -9.428 517 H ARG 63 HN ARG 63 13.668 9.538 -5.151 518 HA ARG 63 HA ARG 63 14.943 9.071 -3.370 519 HB2 ARG 63 HB2 ARG 63 16.638 11.369 -4.352 520 HB3 ARG 63 HB1 ARG 63 17.165 10.039 -3.330 521 HG2 ARG 63 HG2 ARG 63 16.128 9.695 -6.136 522 HG3 ARG 63 HG1 ARG 63 17.837 9.838 -5.706 523 HD2 ARG 63 HD2 ARG 63 17.934 7.756 -4.801 524 HD3 ARG 63 HD1 ARG 63 16.266 7.800 -4.243 525 HE ARG 63 HE ARG 63 15.584 6.886 -6.233 526 HH11 ARG 63 HH11 ARG 63 18.926 7.903 -6.572 527 HH12 ARG 63 HH12 ARG 63 19.155 7.054 -8.062 528 HH21 ARG 63 HH21 ARG 63 15.903 5.782 -8.192 529 HH22 ARG 63 HH22 ARG 63 17.442 5.861 -8.988 530 H ASP 64 HN ASP 64 12.764 10.903 -3.021 531 HA ASP 64 HA ASP 64 13.406 12.988 -1.205 532 HB2 ASP 64 HB2 ASP 64 11.013 11.867 -2.250 533 HB3 ASP 64 HB1 ASP 64 10.887 11.752 -0.493 534 H TYR 65 HN TYR 65 13.314 9.601 -0.890 535 HA TYR 65 HA TYR 65 12.852 9.533 1.950 536 HB2 TYR 65 HB2 TYR 65 13.693 7.339 0.031 537 HB3 TYR 65 HB1 TYR 65 13.219 7.097 1.709 538 HD1 TYR 65 HD1 TYR 65 11.377 5.622 1.278 539 HD2 TYR 65 HD2 TYR 65 11.517 9.430 -0.599 540 HE1 TYR 65 HE1 TYR 65 9.038 5.358 0.555 541 HE2 TYR 65 HE2 TYR 65 9.195 9.175 -1.308 542 HH TYR 65 HH TYR 65 7.105 6.935 -0.058 543 H ARG 66 HN ARG 66 14.355 9.390 3.513 544 HA ARG 66 HA ARG 66 17.169 9.519 2.676 545 HB2 ARG 66 HB2 ARG 66 15.874 10.142 5.338 546 HB3 ARG 66 HB1 ARG 66 17.587 10.304 4.987 547 HG2 ARG 66 HG2 ARG 66 15.386 11.836 3.621 548 HG3 ARG 66 HG1 ARG 66 16.400 12.446 4.929 549 HD2 ARG 66 HD2 ARG 66 17.790 13.177 3.352 550 HD3 ARG 66 HD1 ARG 66 18.210 11.491 3.070 551 HE ARG 66 HE ARG 66 16.586 11.460 1.274 552 HH11 ARG 66 HH11 ARG 66 17.396 14.617 2.558 553 HH12 ARG 66 HH12 ARG 66 16.954 15.462 1.111 554 HH21 ARG 66 HH21 ARG 66 16.010 12.586 -0.650 555 HH22 ARG 66 HH22 ARG 66 16.177 14.314 -0.704 556 H ASP 67 HN ASP 67 14.874 7.494 4.317 557 HA ASP 67 HA ASP 67 16.954 5.537 4.869 558 HB2 ASP 67 HB2 ASP 67 15.180 6.754 6.997 559 HB3 ASP 67 HB1 ASP 67 15.980 5.204 7.202 560 H ALA 68 HN ALA 68 16.015 3.438 5.422 561 HA ALA 68 HA ALA 68 13.832 2.846 3.698 562 HB1 ALA 68 HB1 ALA 68 15.131 1.101 5.772 563 HB2 ALA 68 HB2 ALA 68 15.651 1.262 4.098 564 HB3 ALA 68 HB3 ALA 68 14.079 0.558 4.472 565 H GLN 69 HN GLN 69 14.052 3.846 6.928 566 HA GLN 69 HA GLN 69 11.622 2.692 7.861 567 HB2 GLN 69 HB2 GLN 69 13.398 3.546 9.390 568 HB3 GLN 69 HB1 GLN 69 12.999 5.181 8.878 569 HG2 GLN 69 HG2 GLN 69 11.875 4.841 10.917 570 HG3 GLN 69 HG1 GLN 69 10.663 4.729 9.643 571 HE21 GLN 69 HE21 GLN 69 12.481 2.979 12.015 572 HE22 GLN 69 HE22 GLN 69 11.525 1.539 11.979 573 H GLU 70 HN GLU 70 12.556 5.650 6.246 574 HA GLU 70 HA GLU 70 10.039 6.932 6.398 575 HB2 GLU 70 HB2 GLU 70 12.287 7.287 4.405 576 HB3 GLU 70 HB1 GLU 70 10.895 8.355 4.579 577 HG2 GLU 70 HG2 GLU 70 11.593 8.823 6.898 578 HG3 GLU 70 HG1 GLU 70 13.024 7.829 6.636 579 H PHE 71 HN PHE 71 11.541 4.703 4.162 580 HA PHE 71 HA PHE 71 9.461 4.624 2.258 581 HB2 PHE 71 HB2 PHE 71 11.391 3.564 1.501 582 HB3 PHE 71 HB1 PHE 71 11.667 2.738 3.034 583 HD1 PHE 71 HD1 PHE 71 9.605 2.732 -0.046 584 HD2 PHE 71 HD2 PHE 71 10.772 0.599 3.448 585 HE1 PHE 71 HE1 PHE 71 8.547 0.691 -0.939 586 HE2 PHE 71 HE2 PHE 71 9.712 -1.433 2.570 587 HZ PHE 71 HZ PHE 71 8.602 -1.394 0.370 588 H ALA 72 HN ALA 72 10.193 2.495 5.018 589 HA ALA 72 HA ALA 72 7.951 0.900 4.926 590 HB1 ALA 72 HB1 ALA 72 9.574 1.827 7.287 591 HB2 ALA 72 HB2 ALA 72 9.746 0.325 6.379 592 HB3 ALA 72 HB3 ALA 72 8.324 0.587 7.388 593 H ALA 73 HN ALA 73 8.405 4.021 6.470 594 HA ALA 73 HA ALA 73 5.985 4.323 7.770 595 HB1 ALA 73 HB1 ALA 73 7.886 6.257 6.481 596 HB2 ALA 73 HB2 ALA 73 7.621 5.930 8.198 597 HB3 ALA 73 HB3 ALA 73 6.407 6.814 7.273 598 H ASP 74 HN ASP 74 6.810 5.001 4.389 599 HA ASP 74 HA ASP 74 4.251 6.161 3.804 600 HB2 ASP 74 HB2 ASP 74 6.676 6.373 2.631 601 HB3 ASP 74 HB1 ASP 74 5.937 5.171 1.577 602 H VAL 75 HN VAL 75 5.837 3.069 3.020 603 HA VAL 75 HA VAL 75 3.689 2.037 1.508 604 HB VAL 75 HB VAL 75 5.795 1.003 1.187 605 HG11 VAL 75 HG11 VAL 75 6.959 1.420 3.193 606 HG12 VAL 75 HG12 VAL 75 6.877 -0.335 3.028 607 HG13 VAL 75 HG13 VAL 75 5.795 0.497 4.145 608 HG21 VAL 75 HG21 VAL 75 5.346 -1.411 1.908 609 HG22 VAL 75 HG22 VAL 75 4.180 -0.633 0.836 610 HG23 VAL 75 HG23 VAL 75 3.827 -0.789 2.558 611 H ARG 76 HN ARG 76 4.476 1.763 4.964 612 HA ARG 76 HA ARG 76 2.354 -0.049 5.518 613 HB2 ARG 76 HB2 ARG 76 2.841 0.261 7.813 614 HB3 ARG 76 HB1 ARG 76 4.378 0.318 6.975 615 HG2 ARG 76 HG2 ARG 76 4.429 2.726 7.132 616 HG3 ARG 76 HG1 ARG 76 2.829 2.740 7.872 617 HD2 ARG 76 HD2 ARG 76 4.778 3.000 9.446 618 HD3 ARG 76 HD1 ARG 76 3.633 1.731 9.846 619 HE ARG 76 HE ARG 76 5.299 0.177 8.773 620 HH11 ARG 76 HH11 ARG 76 6.302 3.223 10.194 621 HH12 ARG 76 HH12 ARG 76 7.882 2.645 10.615 622 HH21 ARG 76 HH21 ARG 76 7.380 -0.579 9.345 623 HH22 ARG 76 HH22 ARG 76 8.496 0.496 10.130 624 H LEU 77 HN LEU 77 2.604 3.431 5.309 625 HA LEU 77 HA LEU 77 0.196 4.135 6.565 626 HB2 LEU 77 HB2 LEU 77 2.171 5.393 4.884 627 HB3 LEU 77 HB1 LEU 77 0.560 5.891 4.406 628 HG LEU 77 HG LEU 77 1.770 6.170 7.150 629 HD11 LEU 77 HD11 LEU 77 1.106 8.113 4.973 630 HD12 LEU 77 HD12 LEU 77 2.687 7.783 5.677 631 HD13 LEU 77 HD13 LEU 77 1.445 8.596 6.632 632 HD21 LEU 77 HD21 LEU 77 -0.995 6.661 6.088 633 HD22 LEU 77 HD22 LEU 77 -0.367 7.523 7.500 634 HD23 LEU 77 HD23 LEU 77 -0.502 5.766 7.532 635 H MET 78 HN MET 78 0.934 3.121 3.305 636 HA MET 78 HA MET 78 -1.608 3.415 2.178 637 HB2 MET 78 HB2 MET 78 0.242 3.034 0.734 638 HB3 MET 78 HB1 MET 78 0.670 1.540 1.560 639 HG2 MET 78 HG2 MET 78 -2.012 1.679 0.305 640 HG3 MET 78 HG1 MET 78 -0.605 1.583 -0.766 641 HE1 MET 78 HE1 MET 78 1.489 -0.173 0.717 642 HE2 MET 78 HE2 MET 78 0.991 -0.420 -0.953 643 HE3 MET 78 HE3 MET 78 1.031 -1.782 0.162 644 H PHE 79 HN PHE 79 -0.139 0.481 3.640 645 HA PHE 79 HA PHE 79 -2.457 -1.081 3.539 646 HB2 PHE 79 HB2 PHE 79 -0.257 -1.189 5.605 647 HB3 PHE 79 HB1 PHE 79 -1.491 -2.425 5.363 648 HD1 PHE 79 HD1 PHE 79 -1.641 -2.996 2.634 649 HD2 PHE 79 HD2 PHE 79 1.784 -1.835 4.870 650 HE1 PHE 79 HE1 PHE 79 -0.192 -4.120 0.993 651 HE2 PHE 79 HE2 PHE 79 3.233 -2.954 3.241 652 HZ PHE 79 HZ PHE 79 2.265 -4.087 1.290 653 H SER 80 HN SER 80 -1.405 1.296 5.892 654 HA SER 80 HA SER 80 -3.259 0.768 7.922 655 HB2 SER 80 HB2 SER 80 -1.960 3.406 7.180 656 HB3 SER 80 HB1 SER 80 -2.770 3.054 8.709 657 HG SER 80 HG SER 80 -0.512 1.648 7.694 658 H ASN 81 HN ASN 81 -3.473 3.076 5.189 659 HA ASN 81 HA ASN 81 -5.960 4.119 6.072 660 HB2 ASN 81 HB2 ASN 81 -6.064 5.384 4.060 661 HB3 ASN 81 HB1 ASN 81 -4.374 5.321 4.526 662 HD21 ASN 81 HD21 ASN 81 -2.921 4.548 3.114 663 HD22 ASN 81 HD22 ASN 81 -3.316 3.865 1.576 664 H CYS 82 HN CYS 82 -5.117 1.369 4.125 665 HA CYS 82 HA CYS 82 -7.695 0.924 3.009 666 HB2 CYS 82 HB2 CYS 82 -5.902 -0.352 2.033 667 HB3 CYS 82 HB1 CYS 82 -5.474 -1.063 3.594 668 HG CYS 82 HG CYS 82 -6.591 -3.137 2.284 669 H TYR 83 HN TYR 83 -6.195 -0.299 6.026 670 HA TYR 83 HA TYR 83 -8.493 -1.742 6.867 671 HB2 TYR 83 HB2 TYR 83 -6.353 -0.465 8.586 672 HB3 TYR 83 HB1 TYR 83 -7.560 -1.621 9.142 673 HD1 TYR 83 HD1 TYR 83 -7.416 -3.591 6.864 674 HD2 TYR 83 HD2 TYR 83 -4.330 -1.592 9.040 675 HE1 TYR 83 HE1 TYR 83 -5.880 -5.464 6.426 676 HE2 TYR 83 HE2 TYR 83 -2.817 -3.463 8.605 677 HH TYR 83 HH TYR 83 -3.354 -5.785 6.304 678 H LYS 84 HN LYS 84 -7.675 1.582 6.844 679 HA LYS 84 HA LYS 84 -9.344 2.389 9.011 680 HB2 LYS 84 HB2 LYS 84 -7.291 3.538 7.598 681 HB3 LYS 84 HB1 LYS 84 -8.682 4.431 6.998 682 HG2 LYS 84 HG2 LYS 84 -7.847 4.127 9.886 683 HG3 LYS 84 HG1 LYS 84 -7.667 5.568 8.888 684 HD2 LYS 84 HD2 LYS 84 -10.347 4.323 9.420 685 HD3 LYS 84 HD1 LYS 84 -9.629 5.502 10.518 686 HE2 LYS 84 HE2 LYS 84 -10.019 6.004 7.582 687 HE3 LYS 84 HE1 LYS 84 -11.226 6.425 8.796 688 HZ1 LYS 84 HZ1 LYS 84 -8.437 7.442 8.713 689 HZ2 LYS 84 HZ2 LYS 84 -9.605 7.856 9.859 690 HZ3 LYS 84 HZ3 LYS 84 -9.813 8.307 8.243 691 H TYR 85 HN TYR 85 -9.662 2.354 5.486 692 HA TYR 85 HA TYR 85 -12.293 3.540 5.593 693 HB2 TYR 85 HB2 TYR 85 -10.782 3.967 3.708 694 HB3 TYR 85 HB1 TYR 85 -10.834 2.268 3.264 695 HD1 TYR 85 HD1 TYR 85 -12.819 5.343 3.613 696 HD2 TYR 85 HD2 TYR 85 -12.707 1.444 1.910 697 HE1 TYR 85 HE1 TYR 85 -14.806 5.879 2.259 698 HE2 TYR 85 HE2 TYR 85 -14.692 1.979 0.559 699 HH TYR 85 HH TYR 85 -15.842 5.133 0.181 700 H ASN 86 HN ASN 86 -10.952 0.380 4.694 701 HA ASN 86 HA ASN 86 -13.621 -0.694 4.329 702 HB2 ASN 86 HB2 ASN 86 -10.951 -2.095 4.056 703 HB3 ASN 86 HB1 ASN 86 -12.512 -2.677 3.475 704 HD21 ASN 86 HD21 ASN 86 -9.915 -0.439 2.969 705 HD22 ASN 86 HD22 ASN 86 -10.372 0.041 1.370 706 HA PRO 87 HA PRO 87 -13.748 -2.413 8.448 707 HB2 PRO 87 HB2 PRO 87 -15.881 -4.056 8.019 708 HB3 PRO 87 HB1 PRO 87 -16.039 -2.320 8.305 709 HG2 PRO 87 HG2 PRO 87 -16.110 -3.832 5.730 710 HG3 PRO 87 HG1 PRO 87 -17.114 -2.468 6.260 711 HD2 PRO 87 HD2 PRO 87 -15.020 -2.179 4.562 712 HD3 PRO 87 HD1 PRO 87 -15.512 -0.913 5.706 713 HA PRO 88 HA PRO 88 -11.337 -5.993 8.545 714 HB2 PRO 88 HB2 PRO 88 -12.873 -7.645 10.217 715 HB3 PRO 88 HB1 PRO 88 -11.655 -6.473 10.721 716 HG2 PRO 88 HG2 PRO 88 -14.617 -6.191 10.590 717 HG3 PRO 88 HG1 PRO 88 -13.474 -5.530 11.776 718 HD2 PRO 88 HD2 PRO 88 -14.543 -3.971 9.902 719 HD3 PRO 88 HD1 PRO 88 -12.836 -3.788 10.365 720 H ASP 89 HN ASP 89 -14.652 -6.452 7.621 721 HA ASP 89 HA ASP 89 -13.904 -8.988 6.329 722 HB2 ASP 89 HB2 ASP 89 -16.668 -7.978 7.082 723 HB3 ASP 89 HB1 ASP 89 -16.371 -9.395 6.088 724 H HIS 90 HN HIS 90 -12.808 -7.583 4.757 725 HA HIS 90 HA HIS 90 -14.550 -7.314 2.473 726 HB2 HIS 90 HB2 HIS 90 -14.185 -5.001 3.866 727 HB3 HIS 90 HB1 HIS 90 -12.790 -4.949 2.803 728 HD1 HIS 90 HD1 HIS 90 -13.174 -4.415 0.353 729 HD2 HIS 90 HD2 HIS 90 -16.725 -4.861 2.460 730 HE1 HIS 90 HE1 HIS 90 -14.989 -3.680 -1.214 731 HE2 HIS 90 HE2 HIS 90 -17.131 -4.023 0.058 732 H ASP 91 HN ASP 91 -13.346 -7.337 0.476 733 HA ASP 91 HA ASP 91 -11.210 -9.075 0.486 734 HB2 ASP 91 HB2 ASP 91 -12.154 -7.115 -1.588 735 HB3 ASP 91 HB1 ASP 91 -10.783 -8.173 -1.883 736 H VAL 92 HN VAL 92 -11.053 -5.536 0.359 737 HA VAL 92 HA VAL 92 -8.328 -5.438 -0.361 738 HB VAL 92 HB VAL 92 -9.111 -3.060 1.056 739 HG11 VAL 92 HG11 VAL 92 -7.354 -3.296 -0.672 740 HG12 VAL 92 HG12 VAL 92 -8.499 -1.998 -0.993 741 HG13 VAL 92 HG13 VAL 92 -8.622 -3.522 -1.872 742 HG21 VAL 92 HG21 VAL 92 -11.374 -3.819 0.535 743 HG22 VAL 92 HG22 VAL 92 -10.943 -3.948 -1.162 744 HG23 VAL 92 HG23 VAL 92 -10.949 -2.374 -0.368 745 H VAL 93 HN VAL 93 -9.885 -5.708 2.759 746 HA VAL 93 HA VAL 93 -7.504 -4.911 4.172 747 HB VAL 93 HB VAL 93 -8.619 -5.492 6.218 748 HG11 VAL 93 HG11 VAL 93 -10.660 -4.301 4.358 749 HG12 VAL 93 HG12 VAL 93 -9.307 -3.416 5.070 750 HG13 VAL 93 HG13 VAL 93 -10.567 -4.086 6.107 751 HG21 VAL 93 HG21 VAL 93 -10.799 -6.749 4.567 752 HG22 VAL 93 HG22 VAL 93 -10.777 -6.584 6.324 753 HG23 VAL 93 HG23 VAL 93 -9.601 -7.625 5.521 754 H ALA 94 HN ALA 94 -9.016 -7.894 3.148 755 HA ALA 94 HA ALA 94 -7.269 -9.650 4.532 756 HB1 ALA 94 HB1 ALA 94 -8.855 -10.135 2.010 757 HB2 ALA 94 HB2 ALA 94 -9.433 -10.383 3.658 758 HB3 ALA 94 HB3 ALA 94 -8.117 -11.373 3.026 759 H MET 95 HN MET 95 -7.253 -8.214 1.306 760 HA MET 95 HA MET 95 -4.840 -9.448 0.458 761 HB2 MET 95 HB2 MET 95 -6.218 -6.931 -0.499 762 HB3 MET 95 HB1 MET 95 -4.806 -7.635 -1.277 763 HG2 MET 95 HG2 MET 95 -6.148 -9.731 -1.612 764 HG3 MET 95 HG1 MET 95 -7.554 -8.849 -1.019 765 HE1 MET 95 HE1 MET 95 -8.215 -6.426 -2.146 766 HE2 MET 95 HE2 MET 95 -9.197 -7.774 -2.704 767 HE3 MET 95 HE3 MET 95 -8.596 -6.589 -3.857 768 H ALA 96 HN ALA 96 -5.578 -6.405 2.122 769 HA ALA 96 HA ALA 96 -2.950 -5.349 2.032 770 HB1 ALA 96 HB1 ALA 96 -4.654 -3.807 2.541 771 HB2 ALA 96 HB2 ALA 96 -3.738 -3.996 4.037 772 HB3 ALA 96 HB3 ALA 96 -5.286 -4.816 3.843 773 H ARG 97 HN ARG 97 -4.602 -7.552 4.205 774 HA ARG 97 HA ARG 97 -2.650 -7.474 6.267 775 HB2 ARG 97 HB2 ARG 97 -5.051 -8.230 6.498 776 HB3 ARG 97 HB1 ARG 97 -4.568 -9.729 5.713 777 HG2 ARG 97 HG2 ARG 97 -2.911 -10.089 7.513 778 HG3 ARG 97 HG1 ARG 97 -3.524 -8.643 8.319 779 HD2 ARG 97 HD2 ARG 97 -5.747 -9.680 8.440 780 HD3 ARG 97 HD1 ARG 97 -5.097 -11.129 7.679 781 HE ARG 97 HE ARG 97 -3.855 -10.229 10.159 782 HH11 ARG 97 HH11 ARG 97 -5.956 -12.494 8.511 783 HH12 ARG 97 HH12 ARG 97 -5.946 -13.644 9.810 784 HH21 ARG 97 HH21 ARG 97 -3.846 -11.738 11.876 785 HH22 ARG 97 HH22 ARG 97 -4.748 -13.211 11.728 786 H LYS 98 HN LYS 98 -3.229 -9.623 3.529 787 HA LYS 98 HA LYS 98 -1.203 -11.500 4.205 788 HB2 LYS 98 HB2 LYS 98 -3.157 -11.991 2.768 789 HB3 LYS 98 HB1 LYS 98 -2.498 -10.940 1.530 790 HG2 LYS 98 HG2 LYS 98 -0.545 -12.436 1.341 791 HG3 LYS 98 HG1 LYS 98 -1.272 -13.494 2.550 792 HD2 LYS 98 HD2 LYS 98 -3.190 -13.869 1.100 793 HD3 LYS 98 HD1 LYS 98 -2.517 -12.764 -0.098 794 HE2 LYS 98 HE2 LYS 98 -0.637 -14.217 -0.445 795 HE3 LYS 98 HE1 LYS 98 -1.192 -15.303 0.827 796 HZ1 LYS 98 HZ1 LYS 98 -1.743 -16.100 -1.414 797 HZ2 LYS 98 HZ2 LYS 98 -2.691 -14.723 -1.672 798 HZ3 LYS 98 HZ3 LYS 98 -3.124 -15.834 -0.475 799 H LEU 99 HN LEU 99 -1.328 -8.802 1.891 800 HA LEU 99 HA LEU 99 1.368 -8.882 1.119 801 HB2 LEU 99 HB2 LEU 99 -0.806 -6.898 0.983 802 HB3 LEU 99 HB1 LEU 99 0.808 -6.250 0.953 803 HG LEU 99 HG LEU 99 -0.689 -7.580 -1.159 804 HD11 LEU 99 HD11 LEU 99 1.889 -6.080 -1.299 805 HD12 LEU 99 HD12 LEU 99 0.340 -5.267 -1.072 806 HD13 LEU 99 HD13 LEU 99 0.637 -6.215 -2.530 807 HD21 LEU 99 HD21 LEU 99 2.223 -8.277 -0.921 808 HD22 LEU 99 HD22 LEU 99 1.083 -8.793 -2.164 809 HD23 LEU 99 HD23 LEU 99 0.925 -9.409 -0.521 810 H GLN 100 HN GLN 100 -0.189 -7.491 3.942 811 HA GLN 100 HA GLN 100 1.997 -6.002 4.895 812 HB2 GLN 100 HB2 GLN 100 -0.259 -5.845 5.888 813 HB3 GLN 100 HB1 GLN 100 -0.117 -7.497 6.470 814 HG2 GLN 100 HG2 GLN 100 0.240 -5.827 8.226 815 HG3 GLN 100 HG1 GLN 100 1.635 -6.879 7.984 816 HE21 GLN 100 HE21 GLN 100 3.072 -5.429 8.881 817 HE22 GLN 100 HE22 GLN 100 3.528 -3.958 8.097 818 H ASP 101 HN ASP 101 1.175 -9.413 5.117 819 HA ASP 101 HA ASP 101 3.141 -10.163 6.981 820 HB2 ASP 101 HB2 ASP 101 1.393 -11.706 6.598 821 HB3 ASP 101 HB1 ASP 101 1.667 -11.708 4.859 822 H VAL 102 HN VAL 102 3.218 -10.233 3.398 823 HA VAL 102 HA VAL 102 5.862 -11.216 3.253 824 HB VAL 102 HB VAL 102 4.680 -11.416 1.242 825 HG11 VAL 102 HG11 VAL 102 3.815 -9.431 -0.002 826 HG12 VAL 102 HG12 VAL 102 4.047 -8.505 1.476 827 HG13 VAL 102 HG13 VAL 102 2.936 -9.875 1.457 828 HG21 VAL 102 HG21 VAL 102 6.107 -9.132 0.157 829 HG22 VAL 102 HG22 VAL 102 6.333 -10.860 -0.145 830 HG23 VAL 102 HG23 VAL 102 7.100 -10.103 1.251 831 H PHE 103 HN PHE 103 4.686 -7.864 2.880 832 HA PHE 103 HA PHE 103 7.176 -6.643 2.728 833 HB2 PHE 103 HB2 PHE 103 5.491 -5.210 2.159 834 HB3 PHE 103 HB1 PHE 103 4.450 -5.704 3.486 835 HD1 PHE 103 HD1 PHE 103 7.763 -4.057 2.974 836 HD2 PHE 103 HD2 PHE 103 4.105 -4.107 5.178 837 HE1 PHE 103 HE1 PHE 103 8.487 -2.073 4.231 838 HE2 PHE 103 HE2 PHE 103 4.836 -2.130 6.429 839 HZ PHE 103 HZ PHE 103 7.025 -1.110 5.961 840 H GLU 104 HN GLU 104 5.338 -7.599 5.617 841 HA GLU 104 HA GLU 104 6.890 -6.413 7.587 842 HB2 GLU 104 HB2 GLU 104 4.779 -8.214 7.402 843 HB3 GLU 104 HB1 GLU 104 6.042 -9.114 8.224 844 HG2 GLU 104 HG2 GLU 104 5.225 -6.384 9.124 845 HG3 GLU 104 HG1 GLU 104 4.365 -7.838 9.603 846 H PHE 105 HN PHE 105 7.202 -9.629 6.109 847 HA PHE 105 HA PHE 105 9.449 -10.366 7.689 848 HB2 PHE 105 HB2 PHE 105 7.667 -11.791 6.297 849 HB3 PHE 105 HB1 PHE 105 8.939 -11.713 5.082 850 HD1 PHE 105 HD1 PHE 105 7.711 -13.447 7.880 851 HD2 PHE 105 HD2 PHE 105 11.327 -12.384 5.902 852 HE1 PHE 105 HE1 PHE 105 8.867 -15.305 9.001 853 HE2 PHE 105 HE2 PHE 105 12.485 -14.243 7.017 854 HZ PHE 105 HZ PHE 105 11.255 -15.703 8.569 855 H ARG 106 HN ARG 106 9.035 -8.928 4.510 856 HA ARG 106 HA ARG 106 11.678 -9.251 3.604 857 HB2 ARG 106 HB2 ARG 106 9.622 -7.147 2.928 858 HB3 ARG 106 HB1 ARG 106 11.129 -7.375 2.062 859 HG2 ARG 106 HG2 ARG 106 8.901 -9.381 2.289 860 HG3 ARG 106 HG1 ARG 106 9.261 -8.382 0.880 861 HD2 ARG 106 HD2 ARG 106 11.456 -9.464 0.691 862 HD3 ARG 106 HD1 ARG 106 11.069 -10.477 2.083 863 HE ARG 106 HE ARG 106 9.197 -10.596 -0.133 864 HH11 ARG 106 HH11 ARG 106 12.034 -12.005 1.362 865 HH12 ARG 106 HH12 ARG 106 11.844 -13.538 0.577 866 HH21 ARG 106 HH21 ARG 106 8.928 -12.593 -1.158 867 HH22 ARG 106 HH22 ARG 106 10.056 -13.882 -0.857 868 H TYR 107 HN TYR 107 10.051 -6.590 5.268 869 HA TYR 107 HA TYR 107 12.379 -4.966 5.505 870 HB2 TYR 107 HB2 TYR 107 10.002 -4.139 5.680 871 HB3 TYR 107 HB1 TYR 107 9.918 -4.883 7.273 872 HD1 TYR 107 HD1 TYR 107 11.232 -2.079 5.333 873 HD2 TYR 107 HD2 TYR 107 11.191 -3.959 9.151 874 HE1 TYR 107 HE1 TYR 107 12.140 -0.036 6.346 875 HE2 TYR 107 HE2 TYR 107 12.090 -1.914 10.171 876 HH TYR 107 HH TYR 107 12.086 1.036 8.661 877 H ALA 108 HN ALA 108 11.044 -7.583 7.369 878 HA ALA 108 HA ALA 108 12.481 -7.154 9.766 879 HB1 ALA 108 HB1 ALA 108 10.500 -8.607 9.591 880 HB2 ALA 108 HB2 ALA 108 11.875 -9.416 10.343 881 HB3 ALA 108 HB3 ALA 108 11.457 -9.765 8.666 882 H LYS 109 HN LYS 109 13.187 -9.111 6.879 883 HA LYS 109 HA LYS 109 15.668 -10.118 7.859 884 HB2 LYS 109 HB2 LYS 109 14.191 -10.905 5.821 885 HB3 LYS 109 HB1 LYS 109 15.173 -9.738 4.953 886 HG2 LYS 109 HG2 LYS 109 16.242 -11.818 4.680 887 HG3 LYS 109 HG1 LYS 109 17.199 -10.887 5.831 888 HD2 LYS 109 HD2 LYS 109 17.046 -13.132 6.638 889 HD3 LYS 109 HD1 LYS 109 16.059 -12.112 7.681 890 HE2 LYS 109 HE2 LYS 109 14.892 -14.172 7.193 891 HE3 LYS 109 HE1 LYS 109 14.056 -12.820 6.431 892 HZ1 LYS 109 HZ1 LYS 109 15.902 -14.710 5.075 893 HZ2 LYS 109 HZ2 LYS 109 15.115 -13.409 4.334 894 HZ3 LYS 109 HZ3 LYS 109 14.217 -14.706 4.941 895 H MET 110 HN MET 110 14.645 -7.240 6.275 896 HA MET 110 HA MET 110 17.130 -6.281 5.362 897 HB2 MET 110 HB2 MET 110 15.130 -5.330 4.475 898 HB3 MET 110 HB1 MET 110 14.538 -4.907 6.073 899 HG2 MET 110 HG2 MET 110 17.077 -3.694 5.124 900 HG3 MET 110 HG1 MET 110 15.551 -3.101 4.473 901 HE1 MET 110 HE1 MET 110 15.982 -0.655 5.422 902 HE2 MET 110 HE2 MET 110 17.561 -1.258 5.938 903 HE3 MET 110 HE3 MET 110 16.550 -0.358 7.069 904 HA PRO 111 HA PRO 111 18.644 -4.903 9.370 905 HB2 PRO 111 HB2 PRO 111 21.251 -4.951 8.725 906 HB3 PRO 111 HB1 PRO 111 20.348 -6.426 9.079 907 HG2 PRO 111 HG2 PRO 111 21.319 -5.389 6.491 908 HG3 PRO 111 HG1 PRO 111 20.983 -7.054 6.981 909 HD2 PRO 111 HD2 PRO 111 19.319 -5.307 5.453 910 HD3 PRO 111 HD1 PRO 111 18.945 -6.955 6.017 911 H ASP 112 HN ASP 112 19.606 -2.959 10.113 912 HA ASP 112 HA ASP 112 19.671 -0.798 8.138 913 HB2 ASP 112 HB2 ASP 112 18.948 -0.971 10.951 914 HB3 ASP 112 HB1 ASP 112 20.058 0.349 10.614 915 H1 HIS 281 HT1 HIS 281 -26.012 -3.416 9.584 916 H2 HIS 281 HT2 HIS 281 -25.432 -1.863 9.261 917 H3 HIS 281 HT3 HIS 281 -24.355 -3.152 9.399 918 HA HIS 281 HA HIS 281 -25.265 -4.189 7.441 919 HB2 HIS 281 HB2 HIS 281 -26.916 -1.662 7.196 920 HB3 HIS 281 HB1 HIS 281 -26.858 -2.976 6.032 921 HD1 HIS 281 HD1 HIS 281 -28.931 -1.720 8.603 922 HD2 HIS 281 HD2 HIS 281 -27.760 -5.534 7.431 923 HE1 HIS 281 HE1 HIS 281 -30.648 -3.281 9.570 924 HE2 HIS 281 HE2 HIS 281 -29.829 -5.591 8.979 925 H ASN 282 HN ASN 282 -25.149 -0.628 7.420 926 HA ASN 282 HA ASN 282 -22.435 -0.622 6.479 927 HB2 ASN 282 HB2 ASN 282 -23.605 -1.008 4.354 928 HB3 ASN 282 HB1 ASN 282 -24.635 0.387 4.659 929 HD21 ASN 282 HD21 ASN 282 -23.974 1.383 2.763 930 HD22 ASN 282 HD22 ASN 282 -22.407 2.103 2.603 931 H LEU 283 HN LEU 283 -21.553 0.961 7.621 932 HA LEU 283 HA LEU 283 -23.212 2.916 8.917 933 HB2 LEU 283 HB2 LEU 283 -20.233 2.464 8.937 934 HB3 LEU 283 HB1 LEU 283 -21.013 3.744 9.841 935 HG LEU 283 HG LEU 283 -20.600 2.012 11.382 936 HD11 LEU 283 HD11 LEU 283 -23.479 1.759 10.543 937 HD12 LEU 283 HD12 LEU 283 -22.810 3.021 11.577 938 HD13 LEU 283 HD13 LEU 283 -22.808 1.342 12.119 939 HD21 LEU 283 HD21 LEU 283 -20.149 0.209 9.818 940 HD22 LEU 283 HD22 LEU 283 -21.867 0.092 9.438 941 HD23 LEU 283 HD23 LEU 283 -21.295 -0.307 11.057 942 H LEU 284 HN LEU 284 -21.045 2.880 6.178 943 HA LEU 284 HA LEU 284 -21.940 5.515 5.418 944 HB2 LEU 284 HB2 LEU 284 -20.046 5.934 6.990 945 HB3 LEU 284 HB1 LEU 284 -18.997 5.049 5.904 946 HG LEU 284 HG LEU 284 -19.524 6.758 4.140 947 HD11 LEU 284 HD11 LEU 284 -20.387 8.928 4.937 948 HD12 LEU 284 HD12 LEU 284 -20.810 8.161 6.470 949 HD13 LEU 284 HD13 LEU 284 -21.591 7.640 4.976 950 HD21 LEU 284 HD21 LEU 284 -18.247 7.745 6.683 951 HD22 LEU 284 HD22 LEU 284 -18.029 8.445 5.079 952 HD23 LEU 284 HD23 LEU 284 -17.451 6.813 5.414 953 H ARG 285 HN ARG 285 -18.872 4.115 4.446 954 HA ARG 285 HA ARG 285 -20.044 2.772 2.164 955 HB2 ARG 285 HB2 ARG 285 -18.026 4.036 0.842 956 HB3 ARG 285 HB1 ARG 285 -19.703 4.527 0.781 957 HG2 ARG 285 HG2 ARG 285 -18.431 5.729 3.046 958 HG3 ARG 285 HG1 ARG 285 -17.493 6.033 1.587 959 HD2 ARG 285 HD2 ARG 285 -19.278 7.741 2.144 960 HD3 ARG 285 HD1 ARG 285 -19.285 7.095 0.506 961 HE ARG 285 HE ARG 285 -21.036 5.488 1.767 962 HH11 ARG 285 HH11 ARG 285 -20.738 8.995 1.678 963 HH12 ARG 285 HH12 ARG 285 -22.458 9.251 1.799 964 HH21 ARG 285 HH21 ARG 285 -23.276 5.845 1.911 965 HH22 ARG 285 HH22 ARG 285 -23.892 7.467 1.919 966 H ILE 286 HN ILE 286 -18.702 1.150 1.322 967 HA ILE 286 HA ILE 286 -16.356 0.592 3.018 968 HB ILE 286 HB ILE 286 -17.020 -1.793 3.058 969 HG12 ILE 286 HG12 ILE 286 -19.625 -0.762 1.909 970 HG13 ILE 286 HG11 ILE 286 -18.469 -1.785 1.061 971 HG21 ILE 286 HG21 ILE 286 -18.780 -1.538 4.744 972 HG22 ILE 286 HG22 ILE 286 -19.034 0.126 4.221 973 HG23 ILE 286 HG23 ILE 286 -17.499 -0.344 4.950 974 HD11 ILE 286 HD11 ILE 286 -18.865 -3.564 2.684 975 HD12 ILE 286 HD12 ILE 286 -20.355 -3.070 1.882 976 HD13 ILE 286 HD13 ILE 286 -20.021 -2.535 3.528 977 HH31 ALY 287 HH1 ALY 287 -7.290 1.251 -1.002 978 HH32 ALY 287 HH2 ALY 287 -7.218 2.135 0.523 979 HH33 ALY 287 HH3 ALY 287 -7.444 0.386 0.529 980 HZ ALY 287 HZ1 ALY 287 -9.458 0.061 -1.390 981 HE3 ALY 287 HE2 ALY 287 -11.626 1.846 -1.245 982 HE2 ALY 287 HE1 ALY 287 -11.821 0.589 -0.024 983 HD3 ALY 287 HD2 ALY 287 -11.779 -1.129 -1.696 984 HD2 ALY 287 HD1 ALY 287 -11.359 0.036 -2.951 985 HG3 ALY 287 HG2 ALY 287 -13.716 -0.571 -3.060 986 HG2 ALY 287 HG1 ALY 287 -13.513 1.136 -2.675 987 HB3 ALY 287 HB2 ALY 287 -13.809 0.535 -0.267 988 HB2 ALY 287 HB1 ALY 287 -14.217 -1.093 -0.785 989 HCA ALY 287 HA ALY 287 -15.709 1.277 -1.830 990 H ALY 287 HN ALY 287 -16.844 1.476 0.132 991 H GLN 288 HN GLN 288 -15.789 0.073 -3.769 992 HA GLN 288 HA GLN 288 -17.924 -1.913 -3.710 993 HB2 GLN 288 HB2 GLN 288 -17.924 0.177 -5.192 994 HB3 GLN 288 HB1 GLN 288 -16.706 -0.643 -6.155 995 HG2 GLN 288 HG2 GLN 288 -18.256 -2.446 -6.626 996 HG3 GLN 288 HG1 GLN 288 -19.475 -1.682 -5.608 997 HE21 GLN 288 HE21 GLN 288 -20.490 0.199 -6.326 998 HE22 GLN 288 HE22 GLN 288 -20.446 0.692 -7.984 999 H PHE 289 HN PHE 289 -14.971 -2.349 -3.082 1000 HA PHE 289 HA PHE 289 -14.037 -4.148 -5.118 1001 HB2 PHE 289 HB2 PHE 289 -13.082 -3.401 -2.374 1002 HB3 PHE 289 HB1 PHE 289 -12.426 -4.827 -3.165 1003 HD1 PHE 289 HD1 PHE 289 -13.368 -2.015 -5.268 1004 HD2 PHE 289 HD2 PHE 289 -10.219 -3.788 -3.025 1005 HE1 PHE 289 HE1 PHE 289 -11.734 -0.593 -6.434 1006 HE2 PHE 289 HE2 PHE 289 -8.586 -2.368 -4.175 1007 HZ PHE 289 HZ PHE 289 -9.339 -0.767 -5.891 1008 H LEU 290 HN LEU 290 -16.286 -5.153 -4.943 1009 HA LEU 290 HA LEU 290 -15.971 -7.667 -3.494 1010 HB2 LEU 290 HB2 LEU 290 -17.405 -6.304 -2.054 1011 HB3 LEU 290 HB1 LEU 290 -18.455 -5.940 -3.409 1012 HG LEU 290 HG LEU 290 -19.103 -8.318 -3.534 1013 HD11 LEU 290 HD11 LEU 290 -17.077 -9.310 -2.631 1014 HD12 LEU 290 HD12 LEU 290 -18.489 -9.827 -1.710 1015 HD13 LEU 290 HD13 LEU 290 -17.414 -8.594 -1.054 1016 HD21 LEU 290 HD21 LEU 290 -20.456 -8.354 -1.505 1017 HD22 LEU 290 HD22 LEU 290 -20.440 -6.745 -2.228 1018 HD23 LEU 290 HD23 LEU 290 -19.454 -7.082 -0.805 1019 H GLN 291 HN GLN 291 -18.126 -5.824 -5.606 1020 HA GLN 291 HA GLN 291 -17.731 -7.811 -7.708 1021 HB2 GLN 291 HB2 GLN 291 -19.864 -8.374 -6.571 1022 HB3 GLN 291 HB1 GLN 291 -20.447 -6.750 -6.894 1023 HG2 GLN 291 HG2 GLN 291 -20.300 -7.182 -9.299 1024 HG3 GLN 291 HG1 GLN 291 -19.736 -8.817 -8.963 1025 HE21 GLN 291 HE21 GLN 291 -22.113 -7.876 -10.384 1026 HE22 GLN 291 HE22 GLN 291 -23.459 -8.608 -9.581 1027 H SER 292 HN SER 292 -16.285 -5.981 -8.249 1028 HA SER 292 HA SER 292 -17.778 -3.846 -9.616 1029 HB2 SER 292 HB2 SER 292 -16.245 -3.229 -7.613 1030 HB3 SER 292 HB1 SER 292 -14.917 -3.554 -8.724 1031 HG SER 292 HG SER 292 -16.990 -1.633 -9.005 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 19.194 13.885 -6.537 2 H2 GLY 1 HT2 GLY 1 19.043 12.453 -7.417 3 H3 GLY 1 HT3 GLY 1 20.575 13.024 -6.996 4 HA2 GLY 1 HA1 GLY 1 20.085 12.686 -4.654 5 HA3 GLY 1 HA2 GLY 1 18.497 12.079 -5.104 6 H LYS 2 HN LYS 2 20.219 10.532 -3.598 7 HA LYS 2 HA LYS 2 21.057 8.464 -5.526 8 HB2 LYS 2 HB2 LYS 2 22.474 9.230 -2.966 9 HB3 LYS 2 HB1 LYS 2 22.918 7.895 -4.016 10 HG2 LYS 2 HG2 LYS 2 22.943 10.796 -4.815 11 HG3 LYS 2 HG1 LYS 2 24.354 9.867 -4.306 12 HD2 LYS 2 HD2 LYS 2 24.021 8.339 -6.194 13 HD3 LYS 2 HD1 LYS 2 22.616 9.279 -6.703 14 HE2 LYS 2 HE2 LYS 2 24.037 11.236 -7.033 15 HE3 LYS 2 HE1 LYS 2 25.443 10.312 -6.505 16 HZ1 LYS 2 HZ1 LYS 2 23.785 9.743 -8.901 17 HZ2 LYS 2 HZ2 LYS 2 25.109 8.825 -8.389 18 HZ3 LYS 2 HZ3 LYS 2 25.335 10.419 -8.903 19 H LEU 3 HN LEU 3 21.137 6.286 -4.590 20 HA LEU 3 HA LEU 3 19.151 5.927 -2.453 21 HB2 LEU 3 HB2 LEU 3 20.081 4.067 -4.641 22 HB3 LEU 3 HB1 LEU 3 19.122 3.526 -3.275 23 HG LEU 3 HG LEU 3 18.217 5.602 -5.271 24 HD11 LEU 3 HD11 LEU 3 17.445 2.694 -5.018 25 HD12 LEU 3 HD12 LEU 3 18.482 3.368 -6.275 26 HD13 LEU 3 HD13 LEU 3 16.794 3.858 -6.172 27 HD21 LEU 3 HD21 LEU 3 17.231 5.760 -2.993 28 HD22 LEU 3 HD22 LEU 3 16.671 4.097 -3.164 29 HD23 LEU 3 HD23 LEU 3 16.056 5.348 -4.242 30 H SER 4 HN SER 4 19.968 5.496 -0.532 31 HA SER 4 HA SER 4 22.642 4.497 -0.218 32 HB2 SER 4 HB2 SER 4 21.795 6.123 1.414 33 HB3 SER 4 HB1 SER 4 20.478 5.030 1.844 34 HG SER 4 HG SER 4 21.954 4.630 3.369 35 H GLU 5 HN GLU 5 22.742 2.615 1.598 36 HA GLU 5 HA GLU 5 22.044 0.286 0.219 37 HB2 GLU 5 HB2 GLU 5 22.675 0.588 3.159 38 HB3 GLU 5 HB1 GLU 5 22.772 -0.902 2.226 39 HG2 GLU 5 HG2 GLU 5 24.549 -0.003 0.881 40 HG3 GLU 5 HG1 GLU 5 24.400 1.565 1.670 41 H GLN 6 HN GLN 6 20.516 1.845 2.995 42 HA GLN 6 HA GLN 6 18.461 -0.026 3.427 43 HB2 GLN 6 HB2 GLN 6 18.655 2.936 3.987 44 HB3 GLN 6 HB1 GLN 6 17.262 1.978 4.461 45 HG2 GLN 6 HG2 GLN 6 18.972 2.421 6.249 46 HG3 GLN 6 HG1 GLN 6 18.511 0.735 6.019 47 HE21 GLN 6 HE21 GLN 6 20.031 -0.715 5.271 48 HE22 GLN 6 HE22 GLN 6 21.713 -0.334 5.171 49 H LEU 7 HN LEU 7 18.662 2.829 1.353 50 HA LEU 7 HA LEU 7 15.921 2.708 0.551 51 HB2 LEU 7 HB2 LEU 7 18.255 4.237 -0.594 52 HB3 LEU 7 HB1 LEU 7 16.590 4.444 -1.104 53 HG LEU 7 HG LEU 7 17.550 4.915 1.709 54 HD11 LEU 7 HD11 LEU 7 18.581 6.479 0.108 55 HD12 LEU 7 HD12 LEU 7 17.451 7.280 1.198 56 HD13 LEU 7 HD13 LEU 7 16.974 6.925 -0.463 57 HD21 LEU 7 HD21 LEU 7 15.246 4.449 1.755 58 HD22 LEU 7 HD22 LEU 7 14.950 5.383 0.288 59 HD23 LEU 7 HD23 LEU 7 15.378 6.208 1.787 60 H LYS 8 HN LYS 8 18.917 1.383 -0.665 61 HA LYS 8 HA LYS 8 17.857 0.570 -3.177 62 HB2 LYS 8 HB2 LYS 8 20.270 0.716 -2.782 63 HB3 LYS 8 HB1 LYS 8 20.150 -0.547 -1.572 64 HG2 LYS 8 HG2 LYS 8 21.036 -1.368 -3.709 65 HG3 LYS 8 HG1 LYS 8 19.527 -2.162 -3.250 66 HD2 LYS 8 HD2 LYS 8 19.514 -1.625 -5.617 67 HD3 LYS 8 HD1 LYS 8 18.296 -0.679 -4.768 68 HE2 LYS 8 HE2 LYS 8 19.456 0.705 -6.378 69 HE3 LYS 8 HE1 LYS 8 19.825 1.241 -4.741 70 HZ1 LYS 8 HZ1 LYS 8 21.940 0.119 -4.864 71 HZ2 LYS 8 HZ2 LYS 8 21.787 1.179 -6.171 72 HZ3 LYS 8 HZ3 LYS 8 21.579 -0.484 -6.406 73 H HIS 9 HN HIS 9 17.960 -0.796 0.035 74 HA HIS 9 HA HIS 9 16.879 -3.322 -0.696 75 HB2 HIS 9 HB2 HIS 9 18.047 -2.445 1.552 76 HB3 HIS 9 HB1 HIS 9 16.364 -2.240 2.027 77 HD1 HIS 9 HD1 HIS 9 18.961 -4.630 2.196 78 HD2 HIS 9 HD2 HIS 9 14.878 -4.845 1.432 79 HE1 HIS 9 HE1 HIS 9 18.317 -7.018 2.635 80 HE2 HIS 9 HE2 HIS 9 15.892 -7.167 1.959 81 H CYS 10 HN CYS 10 15.495 -0.208 0.253 82 HA CYS 10 HA CYS 10 12.836 -1.186 0.474 83 HB2 CYS 10 HB2 CYS 10 12.119 1.069 0.668 84 HB3 CYS 10 HB1 CYS 10 13.693 1.000 1.463 85 HG CYS 10 HG CYS 10 14.441 1.854 -1.510 86 H ASN 11 HN ASN 11 14.805 -0.060 -2.168 87 HA ASN 11 HA ASN 11 12.776 0.205 -4.112 88 HB2 ASN 11 HB2 ASN 11 15.112 1.014 -4.407 89 HB3 ASN 11 HB1 ASN 11 15.656 -0.656 -4.498 90 HD21 ASN 11 HD21 ASN 11 16.457 -0.514 -6.550 91 HD22 ASN 11 HD22 ASN 11 15.459 -0.312 -7.944 92 H GLY 12 HN GLY 12 14.714 -2.526 -3.011 93 HA2 GLY 12 HA2 GLY 12 13.783 -4.371 -4.972 94 HA3 GLY 12 HA1 GLY 12 14.634 -4.774 -3.486 95 H ILE 13 HN ILE 13 12.849 -3.734 -1.615 96 HA ILE 13 HA ILE 13 10.987 -5.810 -1.330 97 HB ILE 13 HB ILE 13 11.075 -3.095 -0.036 98 HG12 ILE 13 HG12 ILE 13 11.846 -5.783 1.089 99 HG13 ILE 13 HG11 ILE 13 13.002 -4.676 0.365 100 HG21 ILE 13 HG21 ILE 13 9.109 -5.225 0.177 101 HG22 ILE 13 HG22 ILE 13 8.970 -3.517 0.569 102 HG23 ILE 13 HG23 ILE 13 9.710 -4.630 1.720 103 HD11 ILE 13 HD11 ILE 13 11.463 -4.410 2.913 104 HD12 ILE 13 HD12 ILE 13 12.169 -3.002 2.121 105 HD13 ILE 13 HD13 ILE 13 13.204 -4.327 2.653 106 H LEU 14 HN LEU 14 10.481 -2.407 -2.236 107 HA LEU 14 HA LEU 14 7.764 -2.456 -2.763 108 HB2 LEU 14 HB2 LEU 14 9.725 -0.598 -2.904 109 HB3 LEU 14 HB1 LEU 14 9.492 -0.920 -4.607 110 HG LEU 14 HG LEU 14 7.253 -0.142 -2.765 111 HD11 LEU 14 HD11 LEU 14 9.168 1.485 -4.389 112 HD12 LEU 14 HD12 LEU 14 8.740 1.668 -2.686 113 HD13 LEU 14 HD13 LEU 14 7.574 2.095 -3.940 114 HD21 LEU 14 HD21 LEU 14 6.719 -1.279 -4.966 115 HD22 LEU 14 HD22 LEU 14 7.476 0.105 -5.758 116 HD23 LEU 14 HD23 LEU 14 6.044 0.339 -4.759 117 H LYS 15 HN LYS 15 10.487 -3.132 -4.891 118 HA LYS 15 HA LYS 15 9.187 -3.525 -7.282 119 HB2 LYS 15 HB2 LYS 15 11.422 -3.450 -7.606 120 HB3 LYS 15 HB1 LYS 15 11.767 -4.195 -6.054 121 HG2 LYS 15 HG2 LYS 15 12.522 -5.792 -7.493 122 HG3 LYS 15 HG1 LYS 15 10.878 -6.322 -7.196 123 HD2 LYS 15 HD2 LYS 15 10.137 -5.589 -9.282 124 HD3 LYS 15 HD1 LYS 15 11.554 -4.559 -9.519 125 HE2 LYS 15 HE2 LYS 15 12.968 -6.440 -9.822 126 HE3 LYS 15 HE1 LYS 15 11.704 -7.547 -9.304 127 HZ1 LYS 15 HZ1 LYS 15 10.435 -6.919 -11.288 128 HZ2 LYS 15 HZ2 LYS 15 11.939 -7.575 -11.695 129 HZ3 LYS 15 HZ3 LYS 15 11.696 -5.903 -11.779 130 H GLU 16 HN GLU 16 9.614 -5.694 -4.582 131 HA GLU 16 HA GLU 16 8.805 -7.997 -6.073 132 HB2 GLU 16 HB2 GLU 16 10.321 -8.290 -4.171 133 HB3 GLU 16 HB1 GLU 16 9.103 -7.644 -3.079 134 HG2 GLU 16 HG2 GLU 16 7.645 -9.610 -3.893 135 HG3 GLU 16 HG1 GLU 16 9.152 -10.295 -4.478 136 H LEU 17 HN LEU 17 7.298 -5.901 -3.682 137 HA LEU 17 HA LEU 17 4.780 -7.194 -3.593 138 HB2 LEU 17 HB2 LEU 17 5.421 -4.258 -3.220 139 HB3 LEU 17 HB1 LEU 17 3.955 -5.053 -2.701 140 HG LEU 17 HG LEU 17 6.620 -5.935 -1.643 141 HD11 LEU 17 HD11 LEU 17 6.403 -3.502 -1.325 142 HD12 LEU 17 HD12 LEU 17 6.385 -4.396 0.191 143 HD13 LEU 17 HD13 LEU 17 4.880 -3.768 -0.481 144 HD21 LEU 17 HD21 LEU 17 4.693 -7.381 -1.205 145 HD22 LEU 17 HD22 LEU 17 3.816 -6.012 -0.531 146 HD23 LEU 17 HD23 LEU 17 5.259 -6.618 0.277 147 H LEU 18 HN LEU 18 6.308 -5.140 -5.901 148 HA LEU 18 HA LEU 18 3.884 -4.633 -7.417 149 HB2 LEU 18 HB2 LEU 18 6.775 -3.938 -7.851 150 HB3 LEU 18 HB1 LEU 18 5.532 -3.592 -9.031 151 HG LEU 18 HG LEU 18 5.647 -2.506 -6.227 152 HD11 LEU 18 HD11 LEU 18 7.331 -1.474 -7.486 153 HD12 LEU 18 HD12 LEU 18 5.970 -0.349 -7.500 154 HD13 LEU 18 HD13 LEU 18 6.305 -1.348 -8.916 155 HD21 LEU 18 HD21 LEU 18 3.702 -1.351 -6.627 156 HD22 LEU 18 HD22 LEU 18 3.352 -2.900 -7.376 157 HD23 LEU 18 HD23 LEU 18 3.817 -1.524 -8.373 158 H SER 19 HN SER 19 6.243 -7.061 -7.233 159 HA SER 19 HA SER 19 6.309 -7.863 -9.956 160 HB2 SER 19 HB2 SER 19 6.908 -9.435 -7.442 161 HB3 SER 19 HB1 SER 19 7.267 -9.978 -9.085 162 HG SER 19 HG SER 19 8.209 -7.475 -8.166 163 H LYS 20 HN LYS 20 5.371 -9.677 -10.930 164 HA LYS 20 HA LYS 20 2.588 -9.777 -10.557 165 HB2 LYS 20 HB2 LYS 20 4.454 -11.398 -12.276 166 HB3 LYS 20 HB1 LYS 20 2.702 -11.597 -12.310 167 HG2 LYS 20 HG2 LYS 20 3.965 -8.914 -12.720 168 HG3 LYS 20 HG1 LYS 20 3.745 -10.042 -14.056 169 HD2 LYS 20 HD2 LYS 20 1.414 -9.939 -13.894 170 HD3 LYS 20 HD1 LYS 20 1.463 -9.290 -12.257 171 HE2 LYS 20 HE2 LYS 20 2.536 -7.750 -14.610 172 HE3 LYS 20 HE1 LYS 20 0.837 -7.686 -14.150 173 HZ1 LYS 20 HZ1 LYS 20 3.119 -6.965 -12.385 174 HZ2 LYS 20 HZ2 LYS 20 1.478 -6.869 -11.982 175 HZ3 LYS 20 HZ3 LYS 20 2.110 -5.866 -13.186 176 H LYS 21 HN LYS 21 5.033 -11.478 -8.993 177 HA LYS 21 HA LYS 21 3.747 -13.907 -8.391 178 HB2 LYS 21 HB2 LYS 21 6.070 -13.677 -7.885 179 HB3 LYS 21 HB1 LYS 21 5.784 -12.264 -6.891 180 HG2 LYS 21 HG2 LYS 21 4.568 -13.671 -5.285 181 HG3 LYS 21 HG1 LYS 21 4.958 -15.090 -6.250 182 HD2 LYS 21 HD2 LYS 21 7.394 -14.404 -5.976 183 HD3 LYS 21 HD1 LYS 21 6.814 -13.302 -4.718 184 HE2 LYS 21 HE2 LYS 21 7.401 -15.266 -3.568 185 HE3 LYS 21 HE1 LYS 21 5.643 -15.319 -3.728 186 HZ1 LYS 21 HZ1 LYS 21 6.567 -17.459 -4.244 187 HZ2 LYS 21 HZ2 LYS 21 7.591 -16.791 -5.409 188 HZ3 LYS 21 HZ3 LYS 21 5.919 -16.782 -5.654 189 H HIS 22 HN HIS 22 3.506 -10.685 -7.002 190 HA HIS 22 HA HIS 22 1.643 -11.729 -4.973 191 HB2 HIS 22 HB2 HIS 22 3.170 -9.105 -5.041 192 HB3 HIS 22 HB1 HIS 22 2.026 -9.570 -3.775 193 HD1 HIS 22 HD1 HIS 22 2.767 -11.620 -2.222 194 HD2 HIS 22 HD2 HIS 22 5.693 -10.109 -4.767 195 HE1 HIS 22 HE1 HIS 22 4.940 -12.515 -1.330 196 HE2 HIS 22 HE2 HIS 22 6.712 -11.330 -2.701 197 H ALA 23 HN ALA 23 1.795 -10.062 -7.875 198 HA ALA 23 HA ALA 23 0.037 -7.993 -7.798 199 HB1 ALA 23 HB1 ALA 23 1.328 -8.705 -9.748 200 HB2 ALA 23 HB2 ALA 23 -0.357 -8.366 -10.140 201 HB3 ALA 23 HB3 ALA 23 0.197 -10.034 -9.999 202 H ALA 24 HN ALA 24 -0.805 -11.403 -7.919 203 HA ALA 24 HA ALA 24 -3.498 -11.310 -8.486 204 HB1 ALA 24 HB1 ALA 24 -1.902 -13.145 -6.723 205 HB2 ALA 24 HB2 ALA 24 -2.446 -13.412 -8.380 206 HB3 ALA 24 HB3 ALA 24 -3.615 -13.408 -7.059 207 H TYR 25 HN TYR 25 -1.877 -10.441 -5.518 208 HA TYR 25 HA TYR 25 -4.449 -9.542 -4.446 209 HB2 TYR 25 HB2 TYR 25 -3.565 -10.286 -2.131 210 HB3 TYR 25 HB1 TYR 25 -4.209 -11.518 -3.211 211 HD1 TYR 25 HD1 TYR 25 -1.005 -10.004 -2.072 212 HD2 TYR 25 HD2 TYR 25 -2.948 -13.388 -3.749 213 HE1 TYR 25 HE1 TYR 25 1.074 -11.303 -1.863 214 HE2 TYR 25 HE2 TYR 25 -0.875 -14.686 -3.554 215 HH TYR 25 HH TYR 25 1.482 -14.378 -3.344 216 H ALA 26 HN ALA 26 -1.976 -8.356 -5.728 217 HA ALA 26 HA ALA 26 -1.340 -6.414 -3.598 218 HB1 ALA 26 HB1 ALA 26 0.656 -7.657 -4.268 219 HB2 ALA 26 HB2 ALA 26 0.774 -5.970 -4.775 220 HB3 ALA 26 HB3 ALA 26 0.369 -7.214 -5.952 221 H TRP 27 HN TRP 27 -2.879 -6.838 -6.596 222 HA TRP 27 HA TRP 27 -2.298 -4.471 -7.903 223 HB2 TRP 27 HB2 TRP 27 -4.446 -4.736 -9.109 224 HB3 TRP 27 HB1 TRP 27 -3.471 -6.197 -9.079 225 HD1 TRP 27 HD1 TRP 27 -4.468 -8.306 -7.834 226 HE1 TRP 27 HE1 TRP 27 -6.828 -8.885 -7.004 227 HE3 TRP 27 HE3 TRP 27 -6.582 -3.643 -8.035 228 HZ2 TRP 27 HZ2 TRP 27 -9.264 -7.557 -6.509 229 HZ3 TRP 27 HZ3 TRP 27 -8.934 -3.395 -7.374 230 HH2 TRP 27 HH2 TRP 27 -10.247 -5.309 -6.623 231 HA PRO 28 HA PRO 28 -6.059 -2.430 -5.363 232 HB2 PRO 28 HB2 PRO 28 -5.355 -2.940 -2.662 233 HB3 PRO 28 HB1 PRO 28 -6.849 -3.399 -3.473 234 HG2 PRO 28 HG2 PRO 28 -4.493 -5.017 -2.811 235 HG3 PRO 28 HG1 PRO 28 -6.143 -5.536 -3.196 236 HD2 PRO 28 HD2 PRO 28 -3.998 -5.868 -4.872 237 HD3 PRO 28 HD1 PRO 28 -5.678 -5.769 -5.424 238 H PHE 29 HN PHE 29 -2.687 -2.916 -4.742 239 HA PHE 29 HA PHE 29 -2.507 -0.221 -3.551 240 HB2 PHE 29 HB2 PHE 29 -0.278 -2.180 -3.264 241 HB3 PHE 29 HB1 PHE 29 -0.810 -0.906 -2.164 242 HD1 PHE 29 HD1 PHE 29 -0.736 -4.364 -2.725 243 HD2 PHE 29 HD2 PHE 29 -3.216 -1.284 -1.142 244 HE1 PHE 29 HE1 PHE 29 -1.980 -6.032 -1.429 245 HE2 PHE 29 HE2 PHE 29 -4.462 -2.960 0.155 246 HZ PHE 29 HZ PHE 29 -3.841 -5.334 0.008 247 H TYR 30 HN TYR 30 -1.750 -1.988 -6.318 248 HA TYR 30 HA TYR 30 0.682 -0.932 -7.142 249 HB2 TYR 30 HB2 TYR 30 -1.751 -1.842 -8.642 250 HB3 TYR 30 HB1 TYR 30 -0.403 -1.121 -9.513 251 HD1 TYR 30 HD1 TYR 30 0.445 -2.940 -6.548 252 HD2 TYR 30 HD2 TYR 30 -0.251 -3.351 -10.715 253 HE1 TYR 30 HE1 TYR 30 1.627 -5.084 -6.518 254 HE2 TYR 30 HE2 TYR 30 0.925 -5.511 -10.699 255 HH TYR 30 HH TYR 30 1.951 -7.010 -7.702 256 H LYS 31 HN LYS 31 -2.563 0.406 -7.780 257 HA LYS 31 HA LYS 31 -1.334 3.042 -8.069 258 HB2 LYS 31 HB2 LYS 31 -3.120 1.639 -10.036 259 HB3 LYS 31 HB1 LYS 31 -3.017 3.396 -9.994 260 HG2 LYS 31 HG2 LYS 31 -0.584 3.229 -10.372 261 HG3 LYS 31 HG1 LYS 31 -0.749 1.481 -10.492 262 HD2 LYS 31 HD2 LYS 31 -2.097 3.496 -12.285 263 HD3 LYS 31 HD1 LYS 31 -0.660 2.564 -12.700 264 HE2 LYS 31 HE2 LYS 31 -3.319 1.343 -11.979 265 HE3 LYS 31 HE1 LYS 31 -2.793 1.655 -13.629 266 HZ1 LYS 31 HZ1 LYS 31 -2.406 -0.650 -12.862 267 HZ2 LYS 31 HZ2 LYS 31 -1.307 -0.062 -11.720 268 HZ3 LYS 31 HZ3 LYS 31 -0.996 0.134 -13.367 269 HA PRO 32 HA PRO 32 -4.534 4.761 -5.572 270 HB2 PRO 32 HB2 PRO 32 -5.634 6.627 -7.381 271 HB3 PRO 32 HB1 PRO 32 -4.336 6.930 -6.226 272 HG2 PRO 32 HG2 PRO 32 -4.181 6.288 -9.129 273 HG3 PRO 32 HG1 PRO 32 -3.144 7.343 -8.151 274 HD2 PRO 32 HD2 PRO 32 -2.301 4.939 -8.919 275 HD3 PRO 32 HD1 PRO 32 -1.925 5.552 -7.295 276 H VAL 33 HN VAL 33 -6.651 4.390 -5.101 277 HA VAL 33 HA VAL 33 -8.132 2.619 -6.732 278 HB VAL 33 HB VAL 33 -9.648 2.452 -5.043 279 HG11 VAL 33 HG11 VAL 33 -7.522 2.108 -3.999 280 HG12 VAL 33 HG12 VAL 33 -8.640 2.838 -2.852 281 HG13 VAL 33 HG13 VAL 33 -7.391 3.821 -3.614 282 HG21 VAL 33 HG21 VAL 33 -10.962 4.230 -4.772 283 HG22 VAL 33 HG22 VAL 33 -9.638 5.364 -5.069 284 HG23 VAL 33 HG23 VAL 33 -9.860 4.674 -3.461 285 H ASP 34 HN ASP 34 -10.036 2.977 -7.896 286 HA ASP 34 HA ASP 34 -10.127 5.627 -9.105 287 HB2 ASP 34 HB2 ASP 34 -11.653 3.117 -9.857 288 HB3 ASP 34 HB1 ASP 34 -11.597 4.611 -10.786 289 H ALA 35 HN ALA 35 -10.904 6.338 -6.907 290 HA ALA 35 HA ALA 35 -13.195 5.464 -5.663 291 HB1 ALA 35 HB1 ALA 35 -12.723 7.064 -4.173 292 HB2 ALA 35 HB2 ALA 35 -12.859 8.338 -5.393 293 HB3 ALA 35 HB3 ALA 35 -11.346 7.452 -5.212 294 H SER 36 HN SER 36 -12.922 7.799 -8.289 295 HA SER 36 HA SER 36 -15.589 8.690 -8.278 296 HB2 SER 36 HB2 SER 36 -13.790 9.816 -9.531 297 HB3 SER 36 HB1 SER 36 -13.688 8.434 -10.621 298 HG SER 36 HG SER 36 -15.964 10.092 -10.238 299 H ALA 37 HN ALA 37 -14.039 6.101 -10.197 300 HA ALA 37 HA ALA 37 -16.490 5.240 -11.387 301 HB1 ALA 37 HB1 ALA 37 -13.801 3.894 -11.206 302 HB2 ALA 37 HB2 ALA 37 -14.389 4.896 -12.532 303 HB3 ALA 37 HB3 ALA 37 -15.145 3.337 -12.203 304 H LEU 38 HN LEU 38 -14.927 4.658 -8.416 305 HA LEU 38 HA LEU 38 -16.255 2.146 -7.870 306 HB2 LEU 38 HB2 LEU 38 -14.497 3.962 -6.229 307 HB3 LEU 38 HB1 LEU 38 -15.198 2.486 -5.594 308 HG LEU 38 HG LEU 38 -13.454 2.467 -8.047 309 HD11 LEU 38 HD11 LEU 38 -12.614 2.397 -5.160 310 HD12 LEU 38 HD12 LEU 38 -12.040 3.459 -6.441 311 HD13 LEU 38 HD13 LEU 38 -11.628 1.748 -6.465 312 HD21 LEU 38 HD21 LEU 38 -14.095 0.364 -5.991 313 HD22 LEU 38 HD22 LEU 38 -13.120 0.148 -7.444 314 HD23 LEU 38 HD23 LEU 38 -14.843 0.496 -7.582 315 H GLY 39 HN GLY 39 -17.073 5.404 -7.746 316 HA2 GLY 39 HA2 GLY 39 -19.139 6.308 -7.156 317 HA3 GLY 39 HA1 GLY 39 -19.540 4.800 -6.347 318 H LEU 40 HN LEU 40 -16.529 5.787 -5.418 319 HA LEU 40 HA LEU 40 -17.486 6.492 -2.782 320 HB2 LEU 40 HB2 LEU 40 -14.614 6.380 -3.647 321 HB3 LEU 40 HB1 LEU 40 -15.290 6.071 -2.063 322 HG LEU 40 HG LEU 40 -15.398 4.282 -4.480 323 HD11 LEU 40 HD11 LEU 40 -13.369 3.878 -3.519 324 HD12 LEU 40 HD12 LEU 40 -14.375 2.734 -2.644 325 HD13 LEU 40 HD13 LEU 40 -13.930 4.265 -1.898 326 HD21 LEU 40 HD21 LEU 40 -16.769 3.917 -1.835 327 HD22 LEU 40 HD22 LEU 40 -16.627 2.686 -3.079 328 HD23 LEU 40 HD23 LEU 40 -17.550 4.155 -3.390 329 H HIS 41 HN HIS 41 -18.280 8.597 -2.944 330 HA HIS 41 HA HIS 41 -16.717 10.638 -4.303 331 HB2 HIS 41 HB2 HIS 41 -19.283 10.955 -2.724 332 HB3 HIS 41 HB1 HIS 41 -18.567 12.143 -3.799 333 HD1 HIS 41 HD1 HIS 41 -18.754 11.725 -6.346 334 HD2 HIS 41 HD2 HIS 41 -20.829 8.950 -4.021 335 HE1 HIS 41 HE1 HIS 41 -20.305 10.535 -7.922 336 HE2 HIS 41 HE2 HIS 41 -21.502 8.830 -6.510 337 H ASP 42 HN ASP 42 -16.532 9.273 -1.334 338 HA ASP 42 HA ASP 42 -15.712 11.787 -0.042 339 HB2 ASP 42 HB2 ASP 42 -17.102 9.416 1.183 340 HB3 ASP 42 HB1 ASP 42 -16.424 10.740 2.117 341 H TYR 43 HN TYR 43 -14.120 9.787 -1.548 342 HA TYR 43 HA TYR 43 -12.812 8.076 0.289 343 HB2 TYR 43 HB2 TYR 43 -12.858 7.523 -2.058 344 HB3 TYR 43 HB1 TYR 43 -12.015 8.999 -2.484 345 HD1 TYR 43 HD1 TYR 43 -11.670 5.702 -0.931 346 HD2 TYR 43 HD2 TYR 43 -9.625 9.139 -2.340 347 HE1 TYR 43 HE1 TYR 43 -9.554 4.476 -0.796 348 HE2 TYR 43 HE2 TYR 43 -7.490 7.929 -2.207 349 HH TYR 43 HH TYR 43 -7.337 4.525 -1.643 350 H HIS 44 HN HIS 44 -12.006 11.301 -0.953 351 HA HIS 44 HA HIS 44 -9.458 11.284 0.427 352 HB2 HIS 44 HB2 HIS 44 -10.887 13.305 -1.271 353 HB3 HIS 44 HB1 HIS 44 -9.492 13.775 -0.308 354 HD1 HIS 44 HD1 HIS 44 -7.280 13.446 -1.375 355 HD2 HIS 44 HD2 HIS 44 -10.237 11.144 -3.165 356 HE1 HIS 44 HE1 HIS 44 -6.182 12.364 -3.361 357 HE2 HIS 44 HE2 HIS 44 -8.060 11.186 -4.554 358 H ASP 45 HN ASP 45 -12.535 11.619 1.462 359 HA ASP 45 HA ASP 45 -11.952 13.633 3.482 360 HB2 ASP 45 HB2 ASP 45 -14.427 12.036 2.836 361 HB3 ASP 45 HB1 ASP 45 -14.307 13.047 4.271 362 H ILE 46 HN ILE 46 -12.449 10.175 3.189 363 HA ILE 46 HA ILE 46 -12.046 9.737 6.019 364 HB ILE 46 HB ILE 46 -12.550 7.922 3.683 365 HG12 ILE 46 HG12 ILE 46 -14.426 7.174 5.143 366 HG13 ILE 46 HG11 ILE 46 -13.988 8.435 6.288 367 HG21 ILE 46 HG21 ILE 46 -11.126 6.474 4.702 368 HG22 ILE 46 HG22 ILE 46 -12.591 6.114 5.610 369 HG23 ILE 46 HG23 ILE 46 -11.367 7.180 6.298 370 HD11 ILE 46 HD11 ILE 46 -14.853 8.882 3.442 371 HD12 ILE 46 HD12 ILE 46 -14.472 10.131 4.627 372 HD13 ILE 46 HD13 ILE 46 -15.867 9.079 4.870 373 H ILE 47 HN ILE 47 -10.331 9.026 2.992 374 HA ILE 47 HA ILE 47 -8.043 7.981 4.390 375 HB ILE 47 HB ILE 47 -8.321 8.707 1.474 376 HG12 ILE 47 HG12 ILE 47 -9.938 6.966 2.321 377 HG13 ILE 47 HG11 ILE 47 -8.857 6.417 1.043 378 HG21 ILE 47 HG21 ILE 47 -6.449 6.915 1.375 379 HG22 ILE 47 HG22 ILE 47 -6.218 7.318 3.072 380 HG23 ILE 47 HG23 ILE 47 -6.046 8.564 1.839 381 HD11 ILE 47 HD11 ILE 47 -8.606 5.863 3.981 382 HD12 ILE 47 HD12 ILE 47 -7.435 5.385 2.754 383 HD13 ILE 47 HD13 ILE 47 -9.061 4.724 2.714 384 H LYS 48 HN LYS 48 -6.749 9.337 5.452 385 HA LYS 48 HA LYS 48 -6.499 12.091 4.574 386 HB2 LYS 48 HB2 LYS 48 -5.491 10.641 7.015 387 HB3 LYS 48 HB1 LYS 48 -5.174 12.337 6.689 388 HG2 LYS 48 HG2 LYS 48 -7.924 11.144 6.929 389 HG3 LYS 48 HG1 LYS 48 -7.067 11.946 8.245 390 HD2 LYS 48 HD2 LYS 48 -7.212 14.031 7.224 391 HD3 LYS 48 HD1 LYS 48 -7.481 13.334 5.627 392 HE2 LYS 48 HE2 LYS 48 -9.498 14.371 6.591 393 HE3 LYS 48 HE1 LYS 48 -9.677 12.661 6.208 394 HZ1 LYS 48 HZ1 LYS 48 -10.651 13.214 8.357 395 HZ2 LYS 48 HZ2 LYS 48 -9.155 13.773 8.911 396 HZ3 LYS 48 HZ3 LYS 48 -9.360 12.138 8.543 397 H HIS 49 HN HIS 49 -4.635 9.162 4.682 398 HA HIS 49 HA HIS 49 -2.407 10.567 3.354 399 HB2 HIS 49 HB2 HIS 49 -2.297 8.167 5.189 400 HB3 HIS 49 HB1 HIS 49 -0.930 8.770 4.261 401 HD1 HIS 49 HD1 HIS 49 0.273 10.841 5.138 402 HD2 HIS 49 HD2 HIS 49 -3.052 9.770 7.395 403 HE1 HIS 49 HE1 HIS 49 0.417 12.203 7.247 404 HE2 HIS 49 HE2 HIS 49 -1.544 11.459 8.644 405 HA PRO 50 HA PRO 50 -4.161 7.299 0.463 406 HB2 PRO 50 HB2 PRO 50 -4.285 8.923 -1.724 407 HB3 PRO 50 HB1 PRO 50 -5.622 8.722 -0.587 408 HG2 PRO 50 HG2 PRO 50 -3.595 10.915 -0.763 409 HG3 PRO 50 HG1 PRO 50 -5.341 11.019 -0.468 410 HD2 PRO 50 HD2 PRO 50 -3.528 11.202 1.536 411 HD3 PRO 50 HD1 PRO 50 -5.130 10.466 1.768 412 H MET 51 HN MET 51 -2.342 6.112 0.256 413 HA MET 51 HA MET 51 -0.261 7.165 -1.522 414 HB2 MET 51 HB2 MET 51 0.673 7.341 0.682 415 HB3 MET 51 HB1 MET 51 0.150 5.717 1.112 416 HG2 MET 51 HG2 MET 51 2.579 5.878 0.661 417 HG3 MET 51 HG1 MET 51 1.753 4.755 -0.426 418 HE1 MET 51 HE1 MET 51 2.934 8.378 0.021 419 HE2 MET 51 HE2 MET 51 1.485 8.721 -0.916 420 HE3 MET 51 HE3 MET 51 3.078 8.998 -1.620 421 H ASP 52 HN ASP 52 0.793 5.640 -2.791 422 HA ASP 52 HA ASP 52 -0.382 2.948 -2.877 423 HB2 ASP 52 HB2 ASP 52 0.105 4.577 -5.384 424 HB3 ASP 52 HB1 ASP 52 -0.792 3.064 -5.231 425 H LEU 53 HN LEU 53 1.058 1.369 -3.938 426 HA LEU 53 HA LEU 53 3.739 1.731 -3.212 427 HB2 LEU 53 HB2 LEU 53 2.357 -0.272 -4.943 428 HB3 LEU 53 HB1 LEU 53 4.106 -0.276 -4.808 429 HG LEU 53 HG LEU 53 2.270 -0.436 -2.428 430 HD11 LEU 53 HD11 LEU 53 2.004 -2.315 -4.042 431 HD12 LEU 53 HD12 LEU 53 2.547 -2.796 -2.439 432 HD13 LEU 53 HD13 LEU 53 3.696 -2.713 -3.778 433 HD21 LEU 53 HD21 LEU 53 4.439 0.320 -1.837 434 HD22 LEU 53 HD22 LEU 53 5.210 -0.918 -2.822 435 HD23 LEU 53 HD23 LEU 53 4.321 -1.372 -1.367 436 H SER 54 HN SER 54 2.135 2.217 -6.304 437 HA SER 54 HA SER 54 4.419 2.672 -7.864 438 HB2 SER 54 HB2 SER 54 2.867 4.019 -9.324 439 HB3 SER 54 HB1 SER 54 2.270 2.401 -8.949 440 HG SER 54 HG SER 54 0.680 3.221 -7.842 441 H THR 55 HN THR 55 2.573 4.811 -5.761 442 HA THR 55 HA THR 55 3.965 7.189 -6.506 443 HB THR 55 HB THR 55 2.525 6.905 -3.891 444 HG1 THR 55 HG1 THR 55 0.557 7.123 -4.990 445 HG21 THR 55 HG21 THR 55 3.670 9.006 -4.627 446 HG22 THR 55 HG22 THR 55 1.953 9.186 -4.272 447 HG23 THR 55 HG23 THR 55 2.505 9.109 -5.947 448 H VAL 56 HN VAL 56 4.243 4.800 -3.922 449 HA VAL 56 HA VAL 56 6.190 6.088 -2.362 450 HB VAL 56 HB VAL 56 5.823 3.123 -2.853 451 HG11 VAL 56 HG11 VAL 56 8.067 3.643 -1.993 452 HG12 VAL 56 HG12 VAL 56 7.089 2.787 -0.797 453 HG13 VAL 56 HG13 VAL 56 7.337 4.527 -0.649 454 HG21 VAL 56 HG21 VAL 56 3.873 4.325 -1.874 455 HG22 VAL 56 HG22 VAL 56 4.902 4.805 -0.525 456 HG23 VAL 56 HG23 VAL 56 4.561 3.098 -0.810 457 H LYS 57 HN LYS 57 6.453 3.883 -5.106 458 HA LYS 57 HA LYS 57 9.273 3.873 -5.231 459 HB2 LYS 57 HB2 LYS 57 7.253 2.545 -6.536 460 HB3 LYS 57 HB1 LYS 57 7.909 3.574 -7.801 461 HG2 LYS 57 HG2 LYS 57 10.171 2.694 -7.239 462 HG3 LYS 57 HG1 LYS 57 9.395 1.555 -6.151 463 HD2 LYS 57 HD2 LYS 57 8.034 0.768 -8.114 464 HD3 LYS 57 HD1 LYS 57 9.108 1.737 -9.132 465 HE2 LYS 57 HE2 LYS 57 11.038 0.505 -8.219 466 HE3 LYS 57 HE1 LYS 57 9.927 -0.497 -7.282 467 HZ1 LYS 57 HZ1 LYS 57 8.969 -1.310 -9.334 468 HZ2 LYS 57 HZ2 LYS 57 10.640 -1.559 -9.360 469 HZ3 LYS 57 HZ3 LYS 57 9.962 -0.294 -10.247 470 H ARG 58 HN ARG 58 6.782 5.791 -6.809 471 HA ARG 58 HA ARG 58 8.338 7.332 -8.514 472 HB2 ARG 58 HB2 ARG 58 5.880 7.352 -8.451 473 HB3 ARG 58 HB1 ARG 58 5.925 8.180 -6.903 474 HG2 ARG 58 HG2 ARG 58 7.044 10.081 -7.957 475 HG3 ARG 58 HG1 ARG 58 6.945 9.271 -9.514 476 HD2 ARG 58 HD2 ARG 58 4.533 9.325 -9.423 477 HD3 ARG 58 HD1 ARG 58 4.591 10.000 -7.796 478 HE ARG 58 HE ARG 58 6.025 11.679 -9.524 479 HH11 ARG 58 HH11 ARG 58 2.724 10.680 -8.924 480 HH12 ARG 58 HH12 ARG 58 2.042 12.199 -9.406 481 HH21 ARG 58 HH21 ARG 58 5.139 13.674 -10.167 482 HH22 ARG 58 HH22 ARG 58 3.422 13.904 -10.125 483 H LYS 59 HN LYS 59 7.437 7.985 -5.145 484 HA LYS 59 HA LYS 59 8.972 10.373 -4.973 485 HB2 LYS 59 HB2 LYS 59 7.749 8.624 -2.833 486 HB3 LYS 59 HB1 LYS 59 8.501 10.186 -2.529 487 HG2 LYS 59 HG2 LYS 59 6.843 11.346 -3.708 488 HG3 LYS 59 HG1 LYS 59 6.241 9.876 -4.470 489 HD2 LYS 59 HD2 LYS 59 4.748 10.720 -2.691 490 HD3 LYS 59 HD1 LYS 59 5.350 9.095 -2.364 491 HE2 LYS 59 HE2 LYS 59 6.943 11.330 -1.265 492 HE3 LYS 59 HE1 LYS 59 5.349 11.080 -0.550 493 HZ1 LYS 59 HZ1 LYS 59 7.108 9.848 0.599 494 HZ2 LYS 59 HZ2 LYS 59 7.427 8.977 -0.815 495 HZ3 LYS 59 HZ3 LYS 59 5.930 8.810 -0.044 496 H MET 60 HN MET 60 9.621 6.991 -4.327 497 HA MET 60 HA MET 60 12.127 7.360 -3.053 498 HB2 MET 60 HB2 MET 60 10.967 5.194 -2.997 499 HB3 MET 60 HB1 MET 60 11.164 5.034 -4.736 500 HG2 MET 60 HG2 MET 60 13.684 5.240 -4.230 501 HG3 MET 60 HG1 MET 60 13.217 4.849 -2.578 502 HE1 MET 60 HE1 MET 60 11.751 2.745 -1.986 503 HE2 MET 60 HE2 MET 60 11.443 1.393 -3.075 504 HE3 MET 60 HE3 MET 60 10.632 2.938 -3.334 505 H GLU 61 HN GLU 61 11.128 7.082 -6.437 506 HA GLU 61 HA GLU 61 13.729 7.073 -7.548 507 HB2 GLU 61 HB2 GLU 61 11.052 7.902 -8.659 508 HB3 GLU 61 HB1 GLU 61 12.521 7.949 -9.620 509 HG2 GLU 61 HG2 GLU 61 12.810 5.514 -9.164 510 HG3 GLU 61 HG1 GLU 61 11.239 5.531 -8.365 511 H ASN 62 HN ASN 62 11.632 9.621 -6.434 512 HA ASN 62 HA ASN 62 13.282 11.738 -7.506 513 HB2 ASN 62 HB2 ASN 62 10.901 11.701 -5.656 514 HB3 ASN 62 HB1 ASN 62 11.813 13.174 -5.954 515 HD21 ASN 62 HD21 ASN 62 11.389 10.795 -8.456 516 HD22 ASN 62 HD22 ASN 62 10.286 11.715 -9.417 517 H ARG 63 HN ARG 63 13.513 9.602 -5.063 518 HA ARG 63 HA ARG 63 14.871 9.286 -3.305 519 HB2 ARG 63 HB2 ARG 63 16.423 11.616 -4.432 520 HB3 ARG 63 HB1 ARG 63 17.040 10.347 -3.385 521 HG2 ARG 63 HG2 ARG 63 15.932 9.855 -6.139 522 HG3 ARG 63 HG1 ARG 63 17.645 10.098 -5.779 523 HD2 ARG 63 HD2 ARG 63 17.839 8.095 -4.659 524 HD3 ARG 63 HD1 ARG 63 16.120 8.002 -4.296 525 HE ARG 63 HE ARG 63 15.763 6.987 -6.322 526 HH11 ARG 63 HH11 ARG 63 18.999 8.332 -6.314 527 HH12 ARG 63 HH12 ARG 63 19.488 7.487 -7.743 528 HH21 ARG 63 HH21 ARG 63 16.412 5.872 -8.197 529 HH22 ARG 63 HH22 ARG 63 18.018 6.094 -8.822 530 H ASP 64 HN ASP 64 12.605 10.935 -2.926 531 HA ASP 64 HA ASP 64 13.206 13.047 -1.109 532 HB2 ASP 64 HB2 ASP 64 10.767 11.372 -1.636 533 HB3 ASP 64 HB1 ASP 64 10.809 12.462 -0.255 534 H TYR 65 HN TYR 65 13.306 9.661 -0.875 535 HA TYR 65 HA TYR 65 12.843 9.498 1.977 536 HB2 TYR 65 HB2 TYR 65 13.745 7.391 -0.002 537 HB3 TYR 65 HB1 TYR 65 13.306 7.091 1.675 538 HD1 TYR 65 HD1 TYR 65 11.559 5.533 1.209 539 HD2 TYR 65 HD2 TYR 65 11.457 9.405 -0.527 540 HE1 TYR 65 HE1 TYR 65 9.236 5.153 0.492 541 HE2 TYR 65 HE2 TYR 65 9.145 9.041 -1.223 542 HH TYR 65 HH TYR 65 7.227 6.526 -0.078 543 H ARG 66 HN ARG 66 14.389 9.179 3.527 544 HA ARG 66 HA ARG 66 17.172 9.382 2.612 545 HB2 ARG 66 HB2 ARG 66 15.898 10.119 5.247 546 HB3 ARG 66 HB1 ARG 66 17.632 10.124 4.974 547 HG2 ARG 66 HG2 ARG 66 17.580 12.081 3.839 548 HG3 ARG 66 HG1 ARG 66 16.051 11.683 3.034 549 HD2 ARG 66 HD2 ARG 66 16.314 12.453 5.919 550 HD3 ARG 66 HD1 ARG 66 15.955 13.600 4.632 551 HE ARG 66 HE ARG 66 14.168 11.311 4.876 552 HH11 ARG 66 HH11 ARG 66 14.777 14.671 5.643 553 HH12 ARG 66 HH12 ARG 66 13.115 15.035 5.967 554 HH21 ARG 66 HH21 ARG 66 11.978 11.782 5.302 555 HH22 ARG 66 HH22 ARG 66 11.514 13.389 5.767 556 H ASP 67 HN ASP 67 14.931 7.351 4.323 557 HA ASP 67 HA ASP 67 16.991 5.311 4.508 558 HB2 ASP 67 HB2 ASP 67 15.497 6.371 6.909 559 HB3 ASP 67 HB1 ASP 67 16.207 4.764 6.881 560 H ALA 68 HN ALA 68 15.980 3.195 5.169 561 HA ALA 68 HA ALA 68 13.731 2.757 3.464 562 HB1 ALA 68 HB1 ALA 68 15.084 0.876 5.385 563 HB2 ALA 68 HB2 ALA 68 15.516 1.104 3.689 564 HB3 ALA 68 HB3 ALA 68 13.948 0.418 4.116 565 H GLN 69 HN GLN 69 14.129 3.534 6.755 566 HA GLN 69 HA GLN 69 11.703 2.384 7.725 567 HB2 GLN 69 HB2 GLN 69 13.531 2.993 9.252 568 HB3 GLN 69 HB1 GLN 69 13.322 4.686 8.826 569 HG2 GLN 69 HG2 GLN 69 12.220 4.489 10.848 570 HG3 GLN 69 HG1 GLN 69 10.942 4.415 9.641 571 HE21 GLN 69 HE21 GLN 69 11.039 3.452 12.405 572 HE22 GLN 69 HE22 GLN 69 10.640 1.772 12.325 573 H GLU 70 HN GLU 70 12.632 5.384 6.208 574 HA GLU 70 HA GLU 70 10.142 6.707 6.548 575 HB2 GLU 70 HB2 GLU 70 12.387 7.140 4.572 576 HB3 GLU 70 HB1 GLU 70 10.962 8.169 4.699 577 HG2 GLU 70 HG2 GLU 70 11.546 8.821 6.921 578 HG3 GLU 70 HG1 GLU 70 12.858 7.645 6.972 579 H PHE 71 HN PHE 71 11.538 4.583 4.153 580 HA PHE 71 HA PHE 71 9.399 4.630 2.314 581 HB2 PHE 71 HB2 PHE 71 11.247 3.558 1.418 582 HB3 PHE 71 HB1 PHE 71 11.619 2.705 2.910 583 HD1 PHE 71 HD1 PHE 71 9.487 2.741 -0.081 584 HD2 PHE 71 HD2 PHE 71 10.639 0.560 3.380 585 HE1 PHE 71 HE1 PHE 71 8.370 0.732 -0.975 586 HE2 PHE 71 HE2 PHE 71 9.513 -1.441 2.505 587 HZ PHE 71 HZ PHE 71 8.386 -1.359 0.319 588 H ALA 72 HN ALA 72 10.176 2.389 4.961 589 HA ALA 72 HA ALA 72 7.934 0.801 4.865 590 HB1 ALA 72 HB1 ALA 72 9.578 1.666 7.243 591 HB2 ALA 72 HB2 ALA 72 9.791 0.214 6.260 592 HB3 ALA 72 HB3 ALA 72 8.369 0.380 7.289 593 H ALA 73 HN ALA 73 8.424 3.847 6.541 594 HA ALA 73 HA ALA 73 6.006 4.112 7.860 595 HB1 ALA 73 HB1 ALA 73 7.968 6.053 6.677 596 HB2 ALA 73 HB2 ALA 73 7.629 5.691 8.378 597 HB3 ALA 73 HB3 ALA 73 6.473 6.630 7.432 598 H ASP 74 HN ASP 74 6.842 4.931 4.516 599 HA ASP 74 HA ASP 74 4.319 6.187 3.976 600 HB2 ASP 74 HB2 ASP 74 6.758 6.403 2.850 601 HB3 ASP 74 HB1 ASP 74 6.033 5.248 1.737 602 H VAL 75 HN VAL 75 5.819 3.086 3.068 603 HA VAL 75 HA VAL 75 3.611 2.182 1.531 604 HB VAL 75 HB VAL 75 5.696 1.146 1.090 605 HG11 VAL 75 HG11 VAL 75 6.887 1.436 3.123 606 HG12 VAL 75 HG12 VAL 75 6.832 -0.296 2.790 607 HG13 VAL 75 HG13 VAL 75 5.756 0.404 4.000 608 HG21 VAL 75 HG21 VAL 75 5.230 -1.302 1.662 609 HG22 VAL 75 HG22 VAL 75 4.046 -0.437 0.675 610 HG23 VAL 75 HG23 VAL 75 3.737 -0.703 2.393 611 H ARG 76 HN ARG 76 4.493 1.778 4.937 612 HA ARG 76 HA ARG 76 2.450 -0.107 5.498 613 HB2 ARG 76 HB2 ARG 76 3.033 0.095 7.746 614 HB3 ARG 76 HB1 ARG 76 4.531 0.451 6.911 615 HG2 ARG 76 HG2 ARG 76 4.227 2.817 7.255 616 HG3 ARG 76 HG1 ARG 76 2.641 2.542 7.974 617 HD2 ARG 76 HD2 ARG 76 4.230 2.939 9.724 618 HD3 ARG 76 HD1 ARG 76 3.738 1.257 9.775 619 HE ARG 76 HE ARG 76 6.323 2.229 8.762 620 HH11 ARG 76 HH11 ARG 76 4.334 -0.360 10.049 621 HH12 ARG 76 HH12 ARG 76 5.685 -1.391 10.392 622 HH21 ARG 76 HH21 ARG 76 8.092 0.874 9.225 623 HH22 ARG 76 HH22 ARG 76 7.819 -0.693 9.918 624 H LEU 77 HN LEU 77 2.586 3.384 5.392 625 HA LEU 77 HA LEU 77 0.112 3.891 6.658 626 HB2 LEU 77 HB2 LEU 77 2.167 5.383 5.382 627 HB3 LEU 77 HB1 LEU 77 0.643 5.849 4.651 628 HG LEU 77 HG LEU 77 1.327 5.984 7.585 629 HD11 LEU 77 HD11 LEU 77 1.003 8.040 5.440 630 HD12 LEU 77 HD12 LEU 77 2.403 7.745 6.468 631 HD13 LEU 77 HD13 LEU 77 0.931 8.431 7.156 632 HD21 LEU 77 HD21 LEU 77 -1.226 6.390 6.081 633 HD22 LEU 77 HD22 LEU 77 -0.915 7.248 7.592 634 HD23 LEU 77 HD23 LEU 77 -0.945 5.484 7.569 635 H MET 78 HN MET 78 1.012 3.053 3.385 636 HA MET 78 HA MET 78 -1.488 3.468 2.172 637 HB2 MET 78 HB2 MET 78 0.398 3.109 0.766 638 HB3 MET 78 HB1 MET 78 0.768 1.574 1.540 639 HG2 MET 78 HG2 MET 78 -1.873 1.830 0.219 640 HG3 MET 78 HG1 MET 78 -0.438 1.738 -0.815 641 HE1 MET 78 HE1 MET 78 1.574 -0.119 0.597 642 HE2 MET 78 HE2 MET 78 1.076 -0.311 -1.078 643 HE3 MET 78 HE3 MET 78 1.080 -1.703 0.001 644 H PHE 79 HN PHE 79 -0.113 0.475 3.579 645 HA PHE 79 HA PHE 79 -2.430 -1.070 3.377 646 HB2 PHE 79 HB2 PHE 79 -0.288 -1.204 5.506 647 HB3 PHE 79 HB1 PHE 79 -1.516 -2.436 5.228 648 HD1 PHE 79 HD1 PHE 79 -1.616 -3.020 2.513 649 HD2 PHE 79 HD2 PHE 79 1.780 -1.810 4.770 650 HE1 PHE 79 HE1 PHE 79 -0.143 -4.117 0.877 651 HE2 PHE 79 HE2 PHE 79 3.257 -2.900 3.143 652 HZ PHE 79 HZ PHE 79 2.313 -4.055 1.183 653 H SER 80 HN SER 80 -1.460 1.294 5.770 654 HA SER 80 HA SER 80 -3.404 0.705 7.716 655 HB2 SER 80 HB2 SER 80 -1.931 3.294 7.188 656 HB3 SER 80 HB1 SER 80 -2.833 2.914 8.655 657 HG SER 80 HG SER 80 -0.527 1.578 7.661 658 H ASN 81 HN ASN 81 -3.408 3.137 5.068 659 HA ASN 81 HA ASN 81 -5.891 4.245 5.859 660 HB2 ASN 81 HB2 ASN 81 -5.939 5.467 3.801 661 HB3 ASN 81 HB1 ASN 81 -4.276 5.430 4.364 662 HD21 ASN 81 HD21 ASN 81 -2.749 4.691 3.046 663 HD22 ASN 81 HD22 ASN 81 -3.041 3.963 1.504 664 H CYS 82 HN CYS 82 -5.070 1.492 3.901 665 HA CYS 82 HA CYS 82 -7.615 1.089 2.730 666 HB2 CYS 82 HB2 CYS 82 -5.843 -0.275 1.857 667 HB3 CYS 82 HB1 CYS 82 -5.490 -0.951 3.453 668 HG CYS 82 HG CYS 82 -6.643 -3.062 2.319 669 H TYR 83 HN TYR 83 -6.258 -0.165 5.798 670 HA TYR 83 HA TYR 83 -8.661 -1.437 6.623 671 HB2 TYR 83 HB2 TYR 83 -6.473 -0.279 8.365 672 HB3 TYR 83 HB1 TYR 83 -7.747 -1.370 8.900 673 HD1 TYR 83 HD1 TYR 83 -7.698 -3.374 6.685 674 HD2 TYR 83 HD2 TYR 83 -4.499 -1.476 8.782 675 HE1 TYR 83 HE1 TYR 83 -6.259 -5.326 6.273 676 HE2 TYR 83 HE2 TYR 83 -3.078 -3.424 8.372 677 HH TYR 83 HH TYR 83 -3.395 -5.861 7.912 678 H LYS 84 HN LYS 84 -7.641 1.822 6.560 679 HA LYS 84 HA LYS 84 -9.277 2.798 8.692 680 HB2 LYS 84 HB2 LYS 84 -7.141 3.729 7.176 681 HB3 LYS 84 HB1 LYS 84 -8.471 4.776 6.710 682 HG2 LYS 84 HG2 LYS 84 -7.654 4.250 9.563 683 HG3 LYS 84 HG1 LYS 84 -7.051 5.598 8.602 684 HD2 LYS 84 HD2 LYS 84 -9.976 5.108 9.131 685 HD3 LYS 84 HD1 LYS 84 -8.960 6.140 10.139 686 HE2 LYS 84 HE2 LYS 84 -8.410 7.450 8.078 687 HE3 LYS 84 HE1 LYS 84 -9.630 6.507 7.228 688 HZ1 LYS 84 HZ1 LYS 84 -10.451 8.663 8.049 689 HZ2 LYS 84 HZ2 LYS 84 -10.167 8.157 9.636 690 HZ3 LYS 84 HZ3 LYS 84 -11.309 7.356 8.686 691 H TYR 85 HN TYR 85 -9.641 2.329 5.264 692 HA TYR 85 HA TYR 85 -12.173 3.787 5.249 693 HB2 TYR 85 HB2 TYR 85 -10.600 4.182 3.421 694 HB3 TYR 85 HB1 TYR 85 -10.667 2.484 2.974 695 HD1 TYR 85 HD1 TYR 85 -12.553 5.614 3.181 696 HD2 TYR 85 HD2 TYR 85 -12.542 1.657 1.617 697 HE1 TYR 85 HE1 TYR 85 -14.483 6.174 1.766 698 HE2 TYR 85 HE2 TYR 85 -14.467 2.212 0.195 699 HH TYR 85 HH TYR 85 -16.310 3.846 0.143 700 H ASN 86 HN ASN 86 -10.981 0.584 4.226 701 HA ASN 86 HA ASN 86 -13.673 -0.364 3.840 702 HB2 ASN 86 HB2 ASN 86 -11.025 -1.828 3.671 703 HB3 ASN 86 HB1 ASN 86 -12.583 -2.477 3.153 704 HD21 ASN 86 HD21 ASN 86 -10.009 -0.280 2.443 705 HD22 ASN 86 HD22 ASN 86 -10.501 0.103 0.832 706 HA PRO 87 HA PRO 87 -14.121 -2.063 7.963 707 HB2 PRO 87 HB2 PRO 87 -16.214 -3.728 7.353 708 HB3 PRO 87 HB1 PRO 87 -16.401 -2.007 7.702 709 HG2 PRO 87 HG2 PRO 87 -16.322 -3.414 5.070 710 HG3 PRO 87 HG1 PRO 87 -17.345 -2.060 5.592 711 HD2 PRO 87 HD2 PRO 87 -15.169 -1.719 4.021 712 HD3 PRO 87 HD1 PRO 87 -15.694 -0.498 5.199 713 HA PRO 88 HA PRO 88 -11.617 -5.611 7.959 714 HB2 PRO 88 HB2 PRO 88 -12.916 -7.176 9.856 715 HB3 PRO 88 HB1 PRO 88 -11.743 -5.904 10.198 716 HG2 PRO 88 HG2 PRO 88 -14.722 -5.806 10.260 717 HG3 PRO 88 HG1 PRO 88 -13.549 -5.029 11.339 718 HD2 PRO 88 HD2 PRO 88 -14.828 -3.634 9.453 719 HD3 PRO 88 HD1 PRO 88 -13.125 -3.307 9.839 720 H ASP 89 HN ASP 89 -15.006 -6.073 7.424 721 HA ASP 89 HA ASP 89 -14.520 -8.704 6.223 722 HB2 ASP 89 HB2 ASP 89 -17.160 -7.238 6.629 723 HB3 ASP 89 HB1 ASP 89 -16.975 -8.838 5.926 724 H HIS 90 HN HIS 90 -13.141 -7.522 4.631 725 HA HIS 90 HA HIS 90 -14.672 -7.123 2.222 726 HB2 HIS 90 HB2 HIS 90 -14.336 -4.831 3.566 727 HB3 HIS 90 HB1 HIS 90 -12.768 -4.898 2.786 728 HD1 HIS 90 HD1 HIS 90 -12.683 -4.690 0.220 729 HD2 HIS 90 HD2 HIS 90 -16.502 -4.218 1.779 730 HE1 HIS 90 HE1 HIS 90 -14.059 -3.740 -1.641 731 HE2 HIS 90 HE2 HIS 90 -16.394 -3.631 -0.724 732 H ASP 91 HN ASP 91 -13.293 -7.113 0.311 733 HA ASP 91 HA ASP 91 -11.210 -8.971 0.481 734 HB2 ASP 91 HB2 ASP 91 -12.063 -7.089 -1.706 735 HB3 ASP 91 HB1 ASP 91 -10.692 -8.169 -1.903 736 H VAL 92 HN VAL 92 -11.036 -5.436 0.222 737 HA VAL 92 HA VAL 92 -8.303 -5.376 -0.453 738 HB VAL 92 HB VAL 92 -9.162 -2.953 0.885 739 HG11 VAL 92 HG11 VAL 92 -7.266 -3.264 -0.711 740 HG12 VAL 92 HG12 VAL 92 -8.343 -1.922 -1.081 741 HG13 VAL 92 HG13 VAL 92 -8.461 -3.426 -1.992 742 HG21 VAL 92 HG21 VAL 92 -11.376 -3.679 0.209 743 HG22 VAL 92 HG22 VAL 92 -10.809 -3.944 -1.436 744 HG23 VAL 92 HG23 VAL 92 -10.853 -2.312 -0.770 745 H VAL 93 HN VAL 93 -9.925 -5.533 2.628 746 HA VAL 93 HA VAL 93 -7.602 -4.696 4.100 747 HB VAL 93 HB VAL 93 -8.790 -5.275 6.115 748 HG11 VAL 93 HG11 VAL 93 -10.808 -4.127 4.197 749 HG12 VAL 93 HG12 VAL 93 -9.449 -3.218 4.865 750 HG13 VAL 93 HG13 VAL 93 -10.699 -3.850 5.938 751 HG21 VAL 93 HG21 VAL 93 -10.869 -6.576 4.367 752 HG22 VAL 93 HG22 VAL 93 -10.962 -6.372 6.115 753 HG23 VAL 93 HG23 VAL 93 -9.727 -7.417 5.415 754 H ALA 94 HN ALA 94 -9.057 -7.731 3.112 755 HA ALA 94 HA ALA 94 -7.291 -9.427 4.546 756 HB1 ALA 94 HB1 ALA 94 -8.851 -10.007 2.028 757 HB2 ALA 94 HB2 ALA 94 -9.455 -10.194 3.674 758 HB3 ALA 94 HB3 ALA 94 -8.125 -11.202 3.101 759 H MET 95 HN MET 95 -7.274 -8.075 1.280 760 HA MET 95 HA MET 95 -4.888 -9.386 0.470 761 HB2 MET 95 HB2 MET 95 -6.242 -6.902 -0.606 762 HB3 MET 95 HB1 MET 95 -4.842 -7.658 -1.357 763 HG2 MET 95 HG2 MET 95 -6.209 -9.759 -1.572 764 HG3 MET 95 HG1 MET 95 -7.604 -8.826 -1.028 765 HE1 MET 95 HE1 MET 95 -8.127 -6.414 -2.231 766 HE2 MET 95 HE2 MET 95 -9.214 -7.658 -2.835 767 HE3 MET 95 HE3 MET 95 -8.455 -6.535 -3.957 768 H ALA 96 HN ALA 96 -5.562 -6.283 2.031 769 HA ALA 96 HA ALA 96 -2.912 -5.274 1.901 770 HB1 ALA 96 HB1 ALA 96 -4.626 -3.711 2.385 771 HB2 ALA 96 HB2 ALA 96 -3.652 -3.842 3.849 772 HB3 ALA 96 HB3 ALA 96 -5.208 -4.666 3.749 773 H ARG 97 HN ARG 97 -4.606 -7.398 4.072 774 HA ARG 97 HA ARG 97 -2.754 -7.347 6.207 775 HB2 ARG 97 HB2 ARG 97 -5.193 -8.105 6.203 776 HB3 ARG 97 HB1 ARG 97 -4.609 -9.619 5.531 777 HG2 ARG 97 HG2 ARG 97 -3.206 -9.943 7.513 778 HG3 ARG 97 HG1 ARG 97 -3.836 -8.436 8.185 779 HD2 ARG 97 HD2 ARG 97 -6.105 -9.368 8.090 780 HD3 ARG 97 HD1 ARG 97 -5.448 -10.882 7.480 781 HE ARG 97 HE ARG 97 -4.159 -10.303 9.884 782 HH11 ARG 97 HH11 ARG 97 -7.369 -11.075 8.740 783 HH12 ARG 97 HH12 ARG 97 -7.846 -11.865 10.208 784 HH21 ARG 97 HH21 ARG 97 -4.779 -11.328 11.829 785 HH22 ARG 97 HH22 ARG 97 -6.370 -12.006 11.970 786 H LYS 98 HN LYS 98 -3.219 -9.541 3.470 787 HA LYS 98 HA LYS 98 -1.184 -11.364 4.269 788 HB2 LYS 98 HB2 LYS 98 -3.099 -11.970 2.829 789 HB3 LYS 98 HB1 LYS 98 -2.446 -10.960 1.553 790 HG2 LYS 98 HG2 LYS 98 -0.464 -12.397 1.439 791 HG3 LYS 98 HG1 LYS 98 -1.129 -13.397 2.728 792 HD2 LYS 98 HD2 LYS 98 -3.054 -13.928 1.303 793 HD3 LYS 98 HD1 LYS 98 -2.358 -12.948 0.013 794 HE2 LYS 98 HE2 LYS 98 -0.500 -14.385 -0.201 795 HE3 LYS 98 HE1 LYS 98 -0.915 -15.266 1.267 796 HZ1 LYS 98 HZ1 LYS 98 -1.510 -16.523 -0.694 797 HZ2 LYS 98 HZ2 LYS 98 -2.476 -15.257 -1.257 798 HZ3 LYS 98 HZ3 LYS 98 -2.906 -16.083 0.152 799 H LEU 99 HN LEU 99 -1.308 -8.758 1.858 800 HA LEU 99 HA LEU 99 1.391 -8.862 1.102 801 HB2 LEU 99 HB2 LEU 99 -0.782 -6.883 0.898 802 HB3 LEU 99 HB1 LEU 99 0.832 -6.234 0.861 803 HG LEU 99 HG LEU 99 -0.653 -7.588 -1.229 804 HD11 LEU 99 HD11 LEU 99 1.966 -6.160 -1.348 805 HD12 LEU 99 HD12 LEU 99 0.430 -5.309 -1.198 806 HD13 LEU 99 HD13 LEU 99 0.753 -6.308 -2.616 807 HD21 LEU 99 HD21 LEU 99 2.237 -8.363 -0.969 808 HD22 LEU 99 HD22 LEU 99 1.070 -8.895 -2.180 809 HD23 LEU 99 HD23 LEU 99 0.914 -9.444 -0.515 810 H GLN 100 HN GLN 100 -0.187 -7.433 3.888 811 HA GLN 100 HA GLN 100 1.993 -5.880 4.742 812 HB2 GLN 100 HB2 GLN 100 -0.266 -5.633 5.724 813 HB3 GLN 100 HB1 GLN 100 -0.144 -7.240 6.423 814 HG2 GLN 100 HG2 GLN 100 1.765 -6.435 7.805 815 HG3 GLN 100 HG1 GLN 100 1.489 -4.810 7.177 816 HE21 GLN 100 HE21 GLN 100 -0.382 -3.701 7.772 817 HE22 GLN 100 HE22 GLN 100 -1.292 -4.153 9.169 818 H ASP 101 HN ASP 101 1.195 -9.276 5.124 819 HA ASP 101 HA ASP 101 3.189 -9.961 6.975 820 HB2 ASP 101 HB2 ASP 101 1.848 -11.558 4.804 821 HB3 ASP 101 HB1 ASP 101 3.070 -12.260 5.856 822 H VAL 102 HN VAL 102 3.273 -10.261 3.406 823 HA VAL 102 HA VAL 102 5.934 -11.110 3.276 824 HB VAL 102 HB VAL 102 4.700 -11.423 1.303 825 HG11 VAL 102 HG11 VAL 102 3.839 -9.496 -0.035 826 HG12 VAL 102 HG12 VAL 102 4.084 -8.503 1.397 827 HG13 VAL 102 HG13 VAL 102 2.966 -9.867 1.448 828 HG21 VAL 102 HG21 VAL 102 6.150 -9.181 0.128 829 HG22 VAL 102 HG22 VAL 102 6.297 -10.917 -0.178 830 HG23 VAL 102 HG23 VAL 102 7.133 -10.191 1.195 831 H PHE 103 HN PHE 103 4.687 -7.800 2.798 832 HA PHE 103 HA PHE 103 7.134 -6.525 2.473 833 HB2 PHE 103 HB2 PHE 103 5.435 -5.095 1.989 834 HB3 PHE 103 HB1 PHE 103 4.427 -5.640 3.324 835 HD1 PHE 103 HD1 PHE 103 7.687 -3.894 2.792 836 HD2 PHE 103 HD2 PHE 103 4.073 -4.097 5.061 837 HE1 PHE 103 HE1 PHE 103 8.392 -1.937 4.097 838 HE2 PHE 103 HE2 PHE 103 4.786 -2.143 6.360 839 HZ PHE 103 HZ PHE 103 6.944 -1.059 5.884 840 H GLU 104 HN GLU 104 5.532 -7.497 5.473 841 HA GLU 104 HA GLU 104 7.246 -5.936 7.129 842 HB2 GLU 104 HB2 GLU 104 5.171 -6.275 8.076 843 HB3 GLU 104 HB1 GLU 104 5.071 -7.939 7.522 844 HG2 GLU 104 HG2 GLU 104 6.622 -8.629 9.181 845 HG3 GLU 104 HG1 GLU 104 6.871 -6.968 9.717 846 H PHE 105 HN PHE 105 7.047 -9.350 6.177 847 HA PHE 105 HA PHE 105 9.260 -10.208 7.711 848 HB2 PHE 105 HB2 PHE 105 7.938 -11.312 5.243 849 HB3 PHE 105 HB1 PHE 105 9.384 -12.056 5.916 850 HD1 PHE 105 HD1 PHE 105 6.007 -12.407 5.776 851 HD2 PHE 105 HD2 PHE 105 9.133 -12.238 8.658 852 HE1 PHE 105 HE1 PHE 105 4.620 -13.684 7.352 853 HE2 PHE 105 HE2 PHE 105 7.752 -13.519 10.237 854 HZ PHE 105 HZ PHE 105 5.491 -14.243 9.585 855 H ARG 106 HN ARG 106 8.990 -8.697 4.551 856 HA ARG 106 HA ARG 106 11.654 -9.151 3.732 857 HB2 ARG 106 HB2 ARG 106 9.744 -6.935 2.976 858 HB3 ARG 106 HB1 ARG 106 11.264 -7.263 2.170 859 HG2 ARG 106 HG2 ARG 106 8.867 -9.064 2.283 860 HG3 ARG 106 HG1 ARG 106 9.446 -8.159 0.885 861 HD2 ARG 106 HD2 ARG 106 11.488 -9.473 0.856 862 HD3 ARG 106 HD1 ARG 106 10.965 -10.347 2.298 863 HE ARG 106 HE ARG 106 9.540 -10.444 -0.284 864 HH11 ARG 106 HH11 ARG 106 10.837 -12.058 2.551 865 HH12 ARG 106 HH12 ARG 106 10.130 -13.587 2.147 866 HH21 ARG 106 HH21 ARG 106 8.640 -12.423 -0.818 867 HH22 ARG 106 HH22 ARG 106 8.895 -13.807 0.208 868 H TYR 107 HN TYR 107 10.098 -6.430 5.406 869 HA TYR 107 HA TYR 107 12.518 -4.958 5.631 870 HB2 TYR 107 HB2 TYR 107 10.167 -4.003 5.866 871 HB3 TYR 107 HB1 TYR 107 10.157 -4.674 7.498 872 HD1 TYR 107 HD1 TYR 107 11.311 -1.986 5.380 873 HD2 TYR 107 HD2 TYR 107 11.865 -3.853 9.165 874 HE1 TYR 107 HE1 TYR 107 12.515 0.001 6.183 875 HE2 TYR 107 HE2 TYR 107 13.069 -1.869 9.972 876 HH TYR 107 HH TYR 107 14.420 0.005 8.925 877 H ALA 108 HN ALA 108 10.944 -7.408 7.577 878 HA ALA 108 HA ALA 108 12.544 -7.192 9.882 879 HB1 ALA 108 HB1 ALA 108 10.442 -8.469 9.782 880 HB2 ALA 108 HB2 ALA 108 11.778 -9.416 10.437 881 HB3 ALA 108 HB3 ALA 108 11.245 -9.675 8.775 882 H LYS 109 HN LYS 109 13.024 -8.880 6.830 883 HA LYS 109 HA LYS 109 15.465 -10.152 7.706 884 HB2 LYS 109 HB2 LYS 109 13.725 -10.347 5.430 885 HB3 LYS 109 HB1 LYS 109 15.363 -10.060 4.876 886 HG2 LYS 109 HG2 LYS 109 15.080 -12.397 4.948 887 HG3 LYS 109 HG1 LYS 109 16.106 -11.969 6.315 888 HD2 LYS 109 HD2 LYS 109 14.495 -13.602 7.030 889 HD3 LYS 109 HD1 LYS 109 14.093 -12.058 7.780 890 HE2 LYS 109 HE2 LYS 109 12.378 -11.683 6.070 891 HE3 LYS 109 HE1 LYS 109 12.797 -13.217 5.311 892 HZ1 LYS 109 HZ1 LYS 109 10.873 -13.519 6.665 893 HZ2 LYS 109 HZ2 LYS 109 11.630 -12.832 8.009 894 HZ3 LYS 109 HZ3 LYS 109 12.162 -14.318 7.410 895 H MET 110 HN MET 110 14.509 -7.196 6.259 896 HA MET 110 HA MET 110 17.051 -6.415 5.222 897 HB2 MET 110 HB2 MET 110 15.180 -5.330 4.251 898 HB3 MET 110 HB1 MET 110 14.486 -4.942 5.816 899 HG2 MET 110 HG2 MET 110 17.109 -3.750 5.112 900 HG3 MET 110 HG1 MET 110 15.659 -3.113 4.339 901 HE1 MET 110 HE1 MET 110 16.080 -0.756 5.332 902 HE2 MET 110 HE2 MET 110 17.553 -1.299 6.137 903 HE3 MET 110 HE3 MET 110 16.329 -0.408 7.044 904 HA PRO 111 HA PRO 111 18.581 -5.065 9.211 905 HB2 PRO 111 HB2 PRO 111 21.138 -4.695 8.503 906 HB3 PRO 111 HB1 PRO 111 20.455 -6.303 8.756 907 HG2 PRO 111 HG2 PRO 111 21.126 -4.915 6.223 908 HG3 PRO 111 HG1 PRO 111 21.140 -6.645 6.595 909 HD2 PRO 111 HD2 PRO 111 19.128 -5.225 5.217 910 HD3 PRO 111 HD1 PRO 111 19.024 -6.896 5.830 911 H ASP 112 HN ASP 112 18.980 -3.125 10.122 912 HA ASP 112 HA ASP 112 18.633 -0.784 8.425 913 HB2 ASP 112 HB2 ASP 112 18.654 -1.092 11.436 914 HB3 ASP 112 HB1 ASP 112 18.428 0.440 10.602 915 H1 HIS 281 HT1 HIS 281 -20.690 -3.495 12.325 916 H2 HIS 281 HT2 HIS 281 -20.022 -2.268 11.378 917 H3 HIS 281 HT3 HIS 281 -21.341 -3.156 10.803 918 HA HIS 281 HA HIS 281 -22.733 -2.286 12.562 919 HB2 HIS 281 HB2 HIS 281 -20.186 -0.863 13.285 920 HB3 HIS 281 HB1 HIS 281 -21.749 -0.192 13.722 921 HD1 HIS 281 HD1 HIS 281 -19.244 -2.662 14.765 922 HD2 HIS 281 HD2 HIS 281 -23.243 -1.846 15.557 923 HE1 HIS 281 HE1 HIS 281 -19.791 -3.935 16.862 924 HE2 HIS 281 HE2 HIS 281 -22.242 -3.516 17.265 925 H ASN 282 HN ASN 282 -20.464 -0.830 10.330 926 HA ASN 282 HA ASN 282 -22.660 0.629 9.136 927 HB2 ASN 282 HB2 ASN 282 -21.549 2.783 9.124 928 HB3 ASN 282 HB1 ASN 282 -21.712 2.226 10.784 929 HD21 ASN 282 HD21 ASN 282 -19.538 3.043 8.245 930 HD22 ASN 282 HD22 ASN 282 -18.079 2.911 9.160 931 H LEU 283 HN LEU 283 -22.523 0.665 6.993 932 HA LEU 283 HA LEU 283 -20.023 -0.217 5.751 933 HB2 LEU 283 HB2 LEU 283 -22.866 -0.112 4.767 934 HB3 LEU 283 HB1 LEU 283 -21.523 -0.302 3.661 935 HG LEU 283 HG LEU 283 -20.875 -2.366 4.975 936 HD11 LEU 283 HD11 LEU 283 -22.132 -1.886 7.011 937 HD12 LEU 283 HD12 LEU 283 -22.609 -3.432 6.308 938 HD13 LEU 283 HD13 LEU 283 -23.643 -2.017 6.112 939 HD21 LEU 283 HD21 LEU 283 -22.542 -3.762 3.865 940 HD22 LEU 283 HD22 LEU 283 -21.968 -2.473 2.806 941 HD23 LEU 283 HD23 LEU 283 -23.545 -2.339 3.583 942 H LEU 284 HN LEU 284 -18.817 1.608 5.787 943 HA LEU 284 HA LEU 284 -19.906 4.176 5.109 944 HB2 LEU 284 HB2 LEU 284 -18.097 3.721 6.809 945 HB3 LEU 284 HB1 LEU 284 -17.015 3.396 5.473 946 HG LEU 284 HG LEU 284 -17.339 5.723 4.678 947 HD11 LEU 284 HD11 LEU 284 -18.390 7.347 6.169 948 HD12 LEU 284 HD12 LEU 284 -18.869 6.042 7.257 949 HD13 LEU 284 HD13 LEU 284 -19.547 6.128 5.632 950 HD21 LEU 284 HD21 LEU 284 -16.028 6.776 6.470 951 HD22 LEU 284 HD22 LEU 284 -15.432 5.166 6.068 952 HD23 LEU 284 HD23 LEU 284 -16.395 5.411 7.525 953 H ARG 285 HN ARG 285 -20.587 3.027 2.960 954 HA ARG 285 HA ARG 285 -20.442 2.888 0.695 955 HB2 ARG 285 HB2 ARG 285 -18.281 4.960 1.110 956 HB3 ARG 285 HB1 ARG 285 -18.954 4.525 -0.453 957 HG2 ARG 285 HG2 ARG 285 -21.006 5.501 0.015 958 HG3 ARG 285 HG1 ARG 285 -20.720 5.486 1.760 959 HD2 ARG 285 HD2 ARG 285 -19.257 7.177 -0.260 960 HD3 ARG 285 HD1 ARG 285 -20.519 7.740 0.837 961 HE ARG 285 HE ARG 285 -17.841 6.809 1.638 962 HH11 ARG 285 HH11 ARG 285 -20.784 8.582 2.321 963 HH12 ARG 285 HH12 ARG 285 -20.155 9.316 3.761 964 HH21 ARG 285 HH21 ARG 285 -17.025 7.768 3.539 965 HH22 ARG 285 HH22 ARG 285 -18.024 8.845 4.456 966 H ILE 286 HN ILE 286 -19.591 0.690 1.260 967 HA ILE 286 HA ILE 286 -16.888 0.081 1.413 968 HB ILE 286 HB ILE 286 -17.476 -2.212 0.762 969 HG12 ILE 286 HG12 ILE 286 -20.214 -1.050 0.197 970 HG13 ILE 286 HG11 ILE 286 -19.111 -1.747 -0.981 971 HG21 ILE 286 HG21 ILE 286 -17.811 -1.459 3.057 972 HG22 ILE 286 HG22 ILE 286 -19.019 -2.659 2.598 973 HG23 ILE 286 HG23 ILE 286 -19.453 -0.951 2.657 974 HD11 ILE 286 HD11 ILE 286 -20.426 -3.230 1.271 975 HD12 ILE 286 HD12 ILE 286 -19.341 -3.922 0.067 976 HD13 ILE 286 HD13 ILE 286 -20.908 -3.276 -0.423 977 HH31 ALY 287 HH1 ALY 287 -6.825 1.443 -1.268 978 HH32 ALY 287 HH2 ALY 287 -6.836 2.531 0.122 979 HH33 ALY 287 HH3 ALY 287 -6.934 0.788 0.366 980 HZ ALY 287 HZ1 ALY 287 -8.825 0.773 -2.116 981 HE3 ALY 287 HE2 ALY 287 -11.123 2.188 -1.874 982 HE2 ALY 287 HE1 ALY 287 -11.289 0.925 -0.657 983 HD3 ALY 287 HD2 ALY 287 -11.065 -0.790 -2.317 984 HD2 ALY 287 HD1 ALY 287 -10.684 0.399 -3.562 985 HG3 ALY 287 HG2 ALY 287 -12.996 -0.390 -3.735 986 HG2 ALY 287 HG1 ALY 287 -12.921 1.336 -3.382 987 HB3 ALY 287 HB2 ALY 287 -13.343 0.886 -1.032 988 HB2 ALY 287 HB1 ALY 287 -13.389 -0.839 -1.357 989 HCA ALY 287 HA ALY 287 -15.318 1.160 -2.523 990 H ALY 287 HN ALY 287 -15.306 0.235 0.059 991 H GLN 288 HN GLN 288 -15.763 0.270 -4.510 992 HA GLN 288 HA GLN 288 -17.006 -2.319 -4.513 993 HB2 GLN 288 HB2 GLN 288 -16.629 -0.233 -6.646 994 HB3 GLN 288 HB1 GLN 288 -17.360 -1.799 -6.980 995 HG2 GLN 288 HG2 GLN 288 -18.364 0.270 -5.037 996 HG3 GLN 288 HG1 GLN 288 -19.071 -0.142 -6.598 997 HE21 GLN 288 HE21 GLN 288 -20.234 -0.242 -3.912 998 HE22 GLN 288 HE22 GLN 288 -20.760 -1.873 -3.685 999 H PHE 289 HN PHE 289 -14.707 -3.064 -3.812 1000 HA PHE 289 HA PHE 289 -13.237 -4.006 -6.172 1001 HB2 PHE 289 HB2 PHE 289 -12.584 -3.821 -3.250 1002 HB3 PHE 289 HB1 PHE 289 -11.738 -4.993 -4.250 1003 HD1 PHE 289 HD1 PHE 289 -12.698 -1.983 -5.966 1004 HD2 PHE 289 HD2 PHE 289 -9.707 -3.740 -3.508 1005 HE1 PHE 289 HE1 PHE 289 -11.103 -0.252 -6.674 1006 HE2 PHE 289 HE2 PHE 289 -8.110 -2.005 -4.196 1007 HZ PHE 289 HZ PHE 289 -8.804 -0.258 -5.789 1008 H LEU 290 HN LEU 290 -15.919 -4.858 -5.179 1009 HA LEU 290 HA LEU 290 -15.365 -7.740 -5.057 1010 HB2 LEU 290 HB2 LEU 290 -16.194 -6.859 -2.879 1011 HB3 LEU 290 HB1 LEU 290 -17.644 -6.300 -3.689 1012 HG LEU 290 HG LEU 290 -18.193 -8.651 -4.266 1013 HD11 LEU 290 HD11 LEU 290 -16.991 -10.454 -3.107 1014 HD12 LEU 290 HD12 LEU 290 -15.808 -9.279 -2.532 1015 HD13 LEU 290 HD13 LEU 290 -15.965 -9.600 -4.259 1016 HD21 LEU 290 HD21 LEU 290 -17.765 -8.104 -1.332 1017 HD22 LEU 290 HD22 LEU 290 -18.849 -9.320 -2.005 1018 HD23 LEU 290 HD23 LEU 290 -19.159 -7.609 -2.291 1019 H GLN 291 HN GLN 291 -15.474 -7.118 -7.426 1020 HA GLN 291 HA GLN 291 -18.245 -6.916 -8.383 1021 HB2 GLN 291 HB2 GLN 291 -15.627 -6.404 -9.801 1022 HB3 GLN 291 HB1 GLN 291 -17.215 -6.263 -10.544 1023 HG2 GLN 291 HG2 GLN 291 -17.796 -4.484 -8.996 1024 HG3 GLN 291 HG1 GLN 291 -16.225 -4.639 -8.213 1025 HE21 GLN 291 HE21 GLN 291 -14.826 -5.096 -10.734 1026 HE22 GLN 291 HE22 GLN 291 -14.746 -3.556 -11.516 1027 H SER 292 HN SER 292 -15.955 -9.152 -7.733 1028 HA SER 292 HA SER 292 -17.214 -11.088 -9.502 1029 HB2 SER 292 HB2 SER 292 -14.812 -12.085 -9.791 1030 HB3 SER 292 HB1 SER 292 -15.322 -10.745 -10.815 1031 HG SER 292 HG SER 292 -13.329 -10.215 -10.033 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 19.193 11.078 -1.813 2 H2 GLY 1 HT2 GLY 1 19.825 12.646 -1.841 3 H3 GLY 1 HT3 GLY 1 20.810 11.347 -1.398 4 HA2 GLY 1 HA1 GLY 1 19.623 11.790 -4.078 5 HA3 GLY 1 HA2 GLY 1 21.305 12.061 -3.647 6 H LYS 2 HN LYS 2 22.576 10.215 -3.005 7 HA LYS 2 HA LYS 2 22.249 8.000 -4.713 8 HB2 LYS 2 HB2 LYS 2 24.447 8.601 -4.076 9 HB3 LYS 2 HB1 LYS 2 24.042 8.591 -2.369 10 HG2 LYS 2 HG2 LYS 2 25.439 6.705 -2.923 11 HG3 LYS 2 HG1 LYS 2 23.838 6.157 -2.433 12 HD2 LYS 2 HD2 LYS 2 23.220 5.713 -4.696 13 HD3 LYS 2 HD1 LYS 2 24.687 6.487 -5.304 14 HE2 LYS 2 HE2 LYS 2 24.775 3.999 -5.313 15 HE3 LYS 2 HE1 LYS 2 26.059 4.759 -4.378 16 HZ1 LYS 2 HZ1 LYS 2 24.839 4.288 -2.359 17 HZ2 LYS 2 HZ2 LYS 2 25.096 2.860 -3.224 18 HZ3 LYS 2 HZ3 LYS 2 23.571 3.594 -3.240 19 H LEU 3 HN LEU 3 21.089 6.172 -4.480 20 HA LEU 3 HA LEU 3 19.502 5.655 -2.190 21 HB2 LEU 3 HB2 LEU 3 20.284 3.859 -4.493 22 HB3 LEU 3 HB1 LEU 3 19.198 3.364 -3.203 23 HG LEU 3 HG LEU 3 18.657 5.644 -5.108 24 HD11 LEU 3 HD11 LEU 3 17.521 2.845 -5.023 25 HD12 LEU 3 HD12 LEU 3 18.655 3.462 -6.226 26 HD13 LEU 3 HD13 LEU 3 17.031 4.139 -6.120 27 HD21 LEU 3 HD21 LEU 3 17.575 5.868 -2.897 28 HD22 LEU 3 HD22 LEU 3 16.856 4.274 -3.112 29 HD23 LEU 3 HD23 LEU 3 16.415 5.594 -4.193 30 H SER 4 HN SER 4 20.498 5.318 -0.300 31 HA SER 4 HA SER 4 22.920 3.880 -0.007 32 HB2 SER 4 HB2 SER 4 20.831 4.578 2.071 33 HB3 SER 4 HB1 SER 4 22.500 4.103 2.395 34 HG SER 4 HG SER 4 23.128 5.976 1.152 35 H GLU 5 HN GLU 5 22.918 1.963 1.691 36 HA GLU 5 HA GLU 5 21.901 -0.265 0.424 37 HB2 GLU 5 HB2 GLU 5 22.638 0.097 3.327 38 HB3 GLU 5 HB1 GLU 5 22.291 -1.464 2.597 39 HG2 GLU 5 HG2 GLU 5 24.143 -1.137 1.031 40 HG3 GLU 5 HG1 GLU 5 24.502 0.412 1.792 41 H GLN 6 HN GLN 6 20.442 1.574 3.068 42 HA GLN 6 HA GLN 6 18.236 -0.120 3.520 43 HB2 GLN 6 HB2 GLN 6 18.599 2.844 3.976 44 HB3 GLN 6 HB1 GLN 6 17.150 1.975 4.455 45 HG2 GLN 6 HG2 GLN 6 18.810 2.401 6.273 46 HG3 GLN 6 HG1 GLN 6 18.315 0.724 6.078 47 HE21 GLN 6 HE21 GLN 6 19.814 -0.790 5.448 48 HE22 GLN 6 HE22 GLN 6 21.508 -0.460 5.385 49 H LEU 7 HN LEU 7 18.665 2.679 1.384 50 HA LEU 7 HA LEU 7 15.938 2.653 0.507 51 HB2 LEU 7 HB2 LEU 7 18.356 4.120 -0.552 52 HB3 LEU 7 HB1 LEU 7 16.721 4.376 -1.130 53 HG LEU 7 HG LEU 7 17.555 4.810 1.726 54 HD11 LEU 7 HD11 LEU 7 18.757 6.322 0.227 55 HD12 LEU 7 HD12 LEU 7 17.567 7.184 1.200 56 HD13 LEU 7 HD13 LEU 7 17.229 6.820 -0.494 57 HD21 LEU 7 HD21 LEU 7 15.230 4.456 1.648 58 HD22 LEU 7 HD22 LEU 7 15.064 5.382 0.154 59 HD23 LEU 7 HD23 LEU 7 15.438 6.209 1.665 60 H LYS 8 HN LYS 8 18.941 1.279 -0.651 61 HA LYS 8 HA LYS 8 17.905 0.461 -3.178 62 HB2 LYS 8 HB2 LYS 8 20.311 0.589 -2.783 63 HB3 LYS 8 HB1 LYS 8 20.182 -0.636 -1.536 64 HG2 LYS 8 HG2 LYS 8 21.074 -1.578 -3.583 65 HG3 LYS 8 HG1 LYS 8 19.503 -2.282 -3.204 66 HD2 LYS 8 HD2 LYS 8 19.737 -1.761 -5.597 67 HD3 LYS 8 HD1 LYS 8 18.430 -0.844 -4.841 68 HE2 LYS 8 HE2 LYS 8 19.770 1.130 -4.758 69 HE3 LYS 8 HE1 LYS 8 21.213 0.240 -5.245 70 HZ1 LYS 8 HZ1 LYS 8 18.811 0.705 -6.930 71 HZ2 LYS 8 HZ2 LYS 8 20.178 -0.173 -7.393 72 HZ3 LYS 8 HZ3 LYS 8 20.303 1.483 -7.090 73 H HIS 9 HN HIS 9 17.966 -0.864 0.046 74 HA HIS 9 HA HIS 9 16.872 -3.396 -0.638 75 HB2 HIS 9 HB2 HIS 9 18.024 -2.469 1.601 76 HB3 HIS 9 HB1 HIS 9 16.338 -2.246 2.052 77 HD1 HIS 9 HD1 HIS 9 18.923 -4.626 2.337 78 HD2 HIS 9 HD2 HIS 9 14.857 -4.875 1.497 79 HE1 HIS 9 HE1 HIS 9 18.278 -7.005 2.821 80 HE2 HIS 9 HE2 HIS 9 15.858 -7.172 2.163 81 H CYS 10 HN CYS 10 15.492 -0.273 0.323 82 HA CYS 10 HA CYS 10 12.819 -1.218 0.450 83 HB2 CYS 10 HB2 CYS 10 12.125 1.046 0.636 84 HB3 CYS 10 HB1 CYS 10 13.677 0.954 1.472 85 HG CYS 10 HG CYS 10 14.495 1.807 -1.492 86 H ASN 11 HN ASN 11 14.866 -0.059 -2.117 87 HA ASN 11 HA ASN 11 12.926 0.238 -4.125 88 HB2 ASN 11 HB2 ASN 11 15.203 1.041 -4.464 89 HB3 ASN 11 HB1 ASN 11 15.836 -0.595 -4.299 90 HD21 ASN 11 HD21 ASN 11 15.720 -2.000 -6.010 91 HD22 ASN 11 HD22 ASN 11 15.229 -1.518 -7.596 92 H GLY 12 HN GLY 12 14.776 -2.554 -3.000 93 HA2 GLY 12 HA2 GLY 12 13.816 -4.350 -5.000 94 HA3 GLY 12 HA1 GLY 12 14.661 -4.794 -3.523 95 H ILE 13 HN ILE 13 12.865 -3.707 -1.651 96 HA ILE 13 HA ILE 13 10.976 -5.777 -1.413 97 HB ILE 13 HB ILE 13 11.084 -3.096 -0.053 98 HG12 ILE 13 HG12 ILE 13 11.810 -5.821 1.009 99 HG13 ILE 13 HG11 ILE 13 12.989 -4.709 0.327 100 HG21 ILE 13 HG21 ILE 13 9.153 -5.285 0.156 101 HG22 ILE 13 HG22 ILE 13 8.930 -3.560 0.407 102 HG23 ILE 13 HG23 ILE 13 9.674 -4.549 1.665 103 HD11 ILE 13 HD11 ILE 13 11.386 -4.453 2.836 104 HD12 ILE 13 HD12 ILE 13 12.199 -3.072 2.106 105 HD13 ILE 13 HD13 ILE 13 13.137 -4.465 2.648 106 H LEU 14 HN LEU 14 10.541 -2.361 -2.297 107 HA LEU 14 HA LEU 14 7.831 -2.364 -2.849 108 HB2 LEU 14 HB2 LEU 14 9.821 -0.536 -2.999 109 HB3 LEU 14 HB1 LEU 14 9.577 -0.864 -4.700 110 HG LEU 14 HG LEU 14 7.357 -0.054 -2.850 111 HD11 LEU 14 HD11 LEU 14 9.269 1.550 -4.501 112 HD12 LEU 14 HD12 LEU 14 8.855 1.747 -2.795 113 HD13 LEU 14 HD13 LEU 14 7.680 2.171 -4.044 114 HD21 LEU 14 HD21 LEU 14 6.789 -1.213 -5.023 115 HD22 LEU 14 HD22 LEU 14 7.561 0.146 -5.847 116 HD23 LEU 14 HD23 LEU 14 6.140 0.420 -4.843 117 H LYS 15 HN LYS 15 10.542 -3.045 -5.021 118 HA LYS 15 HA LYS 15 9.165 -3.527 -7.361 119 HB2 LYS 15 HB2 LYS 15 11.361 -3.460 -7.831 120 HB3 LYS 15 HB1 LYS 15 11.806 -4.061 -6.242 121 HG2 LYS 15 HG2 LYS 15 12.553 -5.733 -7.611 122 HG3 LYS 15 HG1 LYS 15 10.967 -6.311 -7.134 123 HD2 LYS 15 HD2 LYS 15 10.033 -5.841 -9.218 124 HD3 LYS 15 HD1 LYS 15 11.348 -4.744 -9.660 125 HE2 LYS 15 HE2 LYS 15 12.864 -6.527 -9.951 126 HE3 LYS 15 HE1 LYS 15 11.779 -7.672 -9.172 127 HZ1 LYS 15 HZ1 LYS 15 10.282 -7.495 -11.039 128 HZ2 LYS 15 HZ2 LYS 15 11.825 -7.906 -11.597 129 HZ3 LYS 15 HZ3 LYS 15 11.256 -6.322 -11.766 130 H GLU 16 HN GLU 16 9.742 -5.587 -4.623 131 HA GLU 16 HA GLU 16 8.922 -7.984 -5.933 132 HB2 GLU 16 HB2 GLU 16 10.447 -8.091 -4.014 133 HB3 GLU 16 HB1 GLU 16 9.223 -7.370 -2.976 134 HG2 GLU 16 HG2 GLU 16 7.799 -9.433 -3.613 135 HG3 GLU 16 HG1 GLU 16 9.325 -10.130 -4.122 136 H LEU 17 HN LEU 17 7.397 -5.769 -3.632 137 HA LEU 17 HA LEU 17 4.899 -7.099 -3.499 138 HB2 LEU 17 HB2 LEU 17 5.532 -4.158 -3.147 139 HB3 LEU 17 HB1 LEU 17 4.038 -4.927 -2.668 140 HG LEU 17 HG LEU 17 6.645 -5.862 -1.520 141 HD11 LEU 17 HD11 LEU 17 6.493 -3.417 -1.246 142 HD12 LEU 17 HD12 LEU 17 6.409 -4.286 0.282 143 HD13 LEU 17 HD13 LEU 17 4.941 -3.624 -0.439 144 HD21 LEU 17 HD21 LEU 17 4.654 -7.232 -1.128 145 HD22 LEU 17 HD22 LEU 17 3.807 -5.828 -0.491 146 HD23 LEU 17 HD23 LEU 17 5.205 -6.477 0.363 147 H LEU 18 HN LEU 18 6.385 -5.111 -5.880 148 HA LEU 18 HA LEU 18 3.918 -4.642 -7.350 149 HB2 LEU 18 HB2 LEU 18 6.788 -3.919 -7.868 150 HB3 LEU 18 HB1 LEU 18 5.502 -3.594 -9.007 151 HG LEU 18 HG LEU 18 5.709 -2.482 -6.216 152 HD11 LEU 18 HD11 LEU 18 7.326 -1.438 -7.559 153 HD12 LEU 18 HD12 LEU 18 5.950 -0.332 -7.520 154 HD13 LEU 18 HD13 LEU 18 6.235 -1.338 -8.942 155 HD21 LEU 18 HD21 LEU 18 3.734 -1.352 -6.553 156 HD22 LEU 18 HD22 LEU 18 3.373 -2.918 -7.260 157 HD23 LEU 18 HD23 LEU 18 3.777 -1.552 -8.298 158 H SER 19 HN SER 19 6.274 -7.051 -7.161 159 HA SER 19 HA SER 19 6.330 -7.889 -9.876 160 HB2 SER 19 HB2 SER 19 6.964 -9.405 -7.337 161 HB3 SER 19 HB1 SER 19 7.298 -9.993 -8.966 162 HG SER 19 HG SER 19 8.255 -7.468 -8.154 163 H LYS 20 HN LYS 20 5.373 -9.645 -10.844 164 HA LYS 20 HA LYS 20 2.629 -9.931 -10.557 165 HB2 LYS 20 HB2 LYS 20 3.986 -10.444 -12.593 166 HB3 LYS 20 HB1 LYS 20 4.494 -11.941 -11.815 167 HG2 LYS 20 HG2 LYS 20 2.721 -12.591 -13.173 168 HG3 LYS 20 HG1 LYS 20 2.003 -12.425 -11.567 169 HD2 LYS 20 HD2 LYS 20 1.246 -10.152 -12.179 170 HD3 LYS 20 HD1 LYS 20 1.862 -10.422 -13.810 171 HE2 LYS 20 HE2 LYS 20 -0.305 -11.998 -12.429 172 HE3 LYS 20 HE1 LYS 20 -0.530 -10.828 -13.723 173 HZ1 LYS 20 HZ1 LYS 20 -0.588 -13.019 -14.632 174 HZ2 LYS 20 HZ2 LYS 20 0.878 -13.432 -13.908 175 HZ3 LYS 20 HZ3 LYS 20 0.844 -12.284 -15.147 176 H LYS 21 HN LYS 21 5.198 -11.663 -9.023 177 HA LYS 21 HA LYS 21 3.968 -13.962 -8.129 178 HB2 LYS 21 HB2 LYS 21 6.308 -13.580 -7.759 179 HB3 LYS 21 HB1 LYS 21 5.980 -12.163 -6.783 180 HG2 LYS 21 HG2 LYS 21 4.936 -13.578 -5.089 181 HG3 LYS 21 HG1 LYS 21 5.317 -15.004 -6.047 182 HD2 LYS 21 HD2 LYS 21 7.744 -14.136 -5.947 183 HD3 LYS 21 HD1 LYS 21 7.155 -13.159 -4.596 184 HE2 LYS 21 HE2 LYS 21 7.996 -15.166 -3.654 185 HE3 LYS 21 HE1 LYS 21 6.235 -15.265 -3.618 186 HZ1 LYS 21 HZ1 LYS 21 7.908 -16.498 -5.731 187 HZ2 LYS 21 HZ2 LYS 21 6.244 -16.701 -5.498 188 HZ3 LYS 21 HZ3 LYS 21 7.338 -17.329 -4.373 189 H HIS 22 HN HIS 22 3.695 -10.679 -6.890 190 HA HIS 22 HA HIS 22 1.827 -11.665 -4.840 191 HB2 HIS 22 HB2 HIS 22 3.343 -9.033 -4.915 192 HB3 HIS 22 HB1 HIS 22 2.244 -9.548 -3.626 193 HD1 HIS 22 HD1 HIS 22 3.073 -11.584 -2.124 194 HD2 HIS 22 HD2 HIS 22 5.897 -10.020 -4.745 195 HE1 HIS 22 HE1 HIS 22 5.282 -12.459 -1.308 196 HE2 HIS 22 HE2 HIS 22 6.991 -11.241 -2.720 197 H ALA 23 HN ALA 23 1.996 -10.089 -7.792 198 HA ALA 23 HA ALA 23 0.282 -7.955 -7.697 199 HB1 ALA 23 HB1 ALA 23 1.594 -8.658 -9.645 200 HB2 ALA 23 HB2 ALA 23 -0.081 -8.282 -10.052 201 HB3 ALA 23 HB3 ALA 23 0.443 -9.963 -9.931 202 H ALA 24 HN ALA 24 -0.551 -11.352 -7.790 203 HA ALA 24 HA ALA 24 -3.229 -11.270 -8.450 204 HB1 ALA 24 HB1 ALA 24 -1.654 -13.080 -6.655 205 HB2 ALA 24 HB2 ALA 24 -2.208 -13.370 -8.304 206 HB3 ALA 24 HB3 ALA 24 -3.367 -13.347 -6.976 207 H TYR 25 HN TYR 25 -1.692 -10.356 -5.452 208 HA TYR 25 HA TYR 25 -4.301 -9.498 -4.438 209 HB2 TYR 25 HB2 TYR 25 -3.457 -10.254 -2.106 210 HB3 TYR 25 HB1 TYR 25 -4.087 -11.473 -3.211 211 HD1 TYR 25 HD1 TYR 25 -0.887 -9.970 -2.035 212 HD2 TYR 25 HD2 TYR 25 -2.833 -13.350 -3.729 213 HE1 TYR 25 HE1 TYR 25 1.174 -11.290 -1.788 214 HE2 TYR 25 HE2 TYR 25 -0.769 -14.665 -3.500 215 HH TYR 25 HH TYR 25 1.793 -13.728 -1.588 216 H ALA 26 HN ALA 26 -1.697 -8.346 -5.588 217 HA ALA 26 HA ALA 26 -1.219 -6.361 -3.460 218 HB1 ALA 26 HB1 ALA 26 0.813 -7.579 -4.118 219 HB2 ALA 26 HB2 ALA 26 0.913 -5.874 -4.562 220 HB3 ALA 26 HB3 ALA 26 0.558 -7.082 -5.793 221 H TRP 27 HN TRP 27 -2.679 -6.852 -6.470 222 HA TRP 27 HA TRP 27 -2.127 -4.503 -7.817 223 HB2 TRP 27 HB2 TRP 27 -4.246 -4.861 -9.061 224 HB3 TRP 27 HB1 TRP 27 -3.202 -6.270 -8.992 225 HD1 TRP 27 HD1 TRP 27 -4.122 -8.415 -7.740 226 HE1 TRP 27 HE1 TRP 27 -6.476 -9.109 -6.968 227 HE3 TRP 27 HE3 TRP 27 -6.457 -3.869 -8.066 228 HZ2 TRP 27 HZ2 TRP 27 -8.989 -7.897 -6.567 229 HZ3 TRP 27 HZ3 TRP 27 -8.842 -3.733 -7.481 230 HH2 TRP 27 HH2 TRP 27 -10.078 -5.704 -6.743 231 HA PRO 28 HA PRO 28 -6.048 -2.527 -5.444 232 HB2 PRO 28 HB2 PRO 28 -5.313 -2.901 -2.716 233 HB3 PRO 28 HB1 PRO 28 -6.800 -3.422 -3.505 234 HG2 PRO 28 HG2 PRO 28 -4.412 -4.964 -2.792 235 HG3 PRO 28 HG1 PRO 28 -6.047 -5.532 -3.171 236 HD2 PRO 28 HD2 PRO 28 -3.893 -5.872 -4.827 237 HD3 PRO 28 HD1 PRO 28 -5.568 -5.810 -5.394 238 H PHE 29 HN PHE 29 -2.673 -2.851 -4.668 239 HA PHE 29 HA PHE 29 -2.634 -0.108 -3.577 240 HB2 PHE 29 HB2 PHE 29 -0.362 -1.997 -3.151 241 HB3 PHE 29 HB1 PHE 29 -0.946 -0.690 -2.121 242 HD1 PHE 29 HD1 PHE 29 -0.817 -4.171 -2.570 243 HD2 PHE 29 HD2 PHE 29 -3.337 -1.065 -1.103 244 HE1 PHE 29 HE1 PHE 29 -2.053 -5.807 -1.226 245 HE2 PHE 29 HE2 PHE 29 -4.573 -2.708 0.246 246 HZ PHE 29 HZ PHE 29 -3.929 -5.081 0.176 247 H TYR 30 HN TYR 30 -1.698 -1.933 -6.253 248 HA TYR 30 HA TYR 30 0.740 -0.883 -7.017 249 HB2 TYR 30 HB2 TYR 30 -1.650 -1.789 -8.580 250 HB3 TYR 30 HB1 TYR 30 -0.286 -1.063 -9.422 251 HD1 TYR 30 HD1 TYR 30 0.433 -2.917 -6.425 252 HD2 TYR 30 HD2 TYR 30 -0.026 -3.249 -10.628 253 HE1 TYR 30 HE1 TYR 30 1.623 -5.058 -6.369 254 HE2 TYR 30 HE2 TYR 30 1.156 -5.406 -10.588 255 HH TYR 30 HH TYR 30 1.983 -6.979 -7.585 256 H LYS 31 HN LYS 31 -2.456 0.505 -7.703 257 HA LYS 31 HA LYS 31 -1.201 3.124 -8.013 258 HB2 LYS 31 HB2 LYS 31 -2.982 1.704 -9.977 259 HB3 LYS 31 HB1 LYS 31 -2.904 3.461 -9.943 260 HG2 LYS 31 HG2 LYS 31 -0.496 3.358 -10.375 261 HG3 LYS 31 HG1 LYS 31 -0.583 1.596 -10.409 262 HD2 LYS 31 HD2 LYS 31 -2.123 1.717 -12.314 263 HD3 LYS 31 HD1 LYS 31 -2.020 3.478 -12.280 264 HE2 LYS 31 HE2 LYS 31 0.345 1.654 -12.678 265 HE3 LYS 31 HE1 LYS 31 -0.568 2.386 -13.996 266 HZ1 LYS 31 HZ1 LYS 31 0.038 4.557 -13.200 267 HZ2 LYS 31 HZ2 LYS 31 1.440 3.640 -13.419 268 HZ3 LYS 31 HZ3 LYS 31 0.837 3.903 -11.864 269 HA PRO 32 HA PRO 32 -4.476 4.764 -5.544 270 HB2 PRO 32 HB2 PRO 32 -5.498 6.765 -7.202 271 HB3 PRO 32 HB1 PRO 32 -4.127 6.952 -6.104 272 HG2 PRO 32 HG2 PRO 32 -4.144 6.385 -9.039 273 HG3 PRO 32 HG1 PRO 32 -3.065 7.439 -8.105 274 HD2 PRO 32 HD2 PRO 32 -2.241 5.045 -8.918 275 HD3 PRO 32 HD1 PRO 32 -1.812 5.641 -7.300 276 H VAL 33 HN VAL 33 -6.504 4.104 -5.165 277 HA VAL 33 HA VAL 33 -7.870 2.494 -7.010 278 HB VAL 33 HB VAL 33 -9.418 2.075 -5.386 279 HG11 VAL 33 HG11 VAL 33 -7.264 1.673 -4.395 280 HG12 VAL 33 HG12 VAL 33 -8.416 2.191 -3.166 281 HG13 VAL 33 HG13 VAL 33 -7.209 3.322 -3.778 282 HG21 VAL 33 HG21 VAL 33 -10.747 3.867 -5.062 283 HG22 VAL 33 HG22 VAL 33 -9.390 4.986 -4.893 284 HG23 VAL 33 HG23 VAL 33 -9.848 3.944 -3.543 285 H ASP 34 HN ASP 34 -9.740 2.854 -8.212 286 HA ASP 34 HA ASP 34 -9.917 5.588 -9.196 287 HB2 ASP 34 HB2 ASP 34 -11.250 3.055 -10.207 288 HB3 ASP 34 HB1 ASP 34 -11.335 4.628 -10.987 289 H ALA 35 HN ALA 35 -10.835 6.223 -7.080 290 HA ALA 35 HA ALA 35 -13.105 5.210 -5.908 291 HB1 ALA 35 HB1 ALA 35 -12.190 6.702 -4.481 292 HB2 ALA 35 HB2 ALA 35 -13.346 7.811 -5.233 293 HB3 ALA 35 HB3 ALA 35 -11.674 7.777 -5.788 294 H SER 36 HN SER 36 -12.930 7.656 -8.478 295 HA SER 36 HA SER 36 -15.666 8.307 -8.482 296 HB2 SER 36 HB2 SER 36 -13.670 8.419 -10.750 297 HB3 SER 36 HB1 SER 36 -15.230 9.246 -10.713 298 HG SER 36 HG SER 36 -14.408 10.231 -8.698 299 H ALA 37 HN ALA 37 -13.854 5.836 -10.270 300 HA ALA 37 HA ALA 37 -16.199 4.911 -11.678 301 HB1 ALA 37 HB1 ALA 37 -13.426 3.753 -11.449 302 HB2 ALA 37 HB2 ALA 37 -14.040 4.763 -12.756 303 HB3 ALA 37 HB3 ALA 37 -14.693 3.143 -12.514 304 H LEU 38 HN LEU 38 -14.959 4.520 -8.613 305 HA LEU 38 HA LEU 38 -16.074 1.843 -8.224 306 HB2 LEU 38 HB2 LEU 38 -14.293 3.613 -6.565 307 HB3 LEU 38 HB1 LEU 38 -15.005 2.144 -5.924 308 HG LEU 38 HG LEU 38 -13.346 2.081 -8.426 309 HD11 LEU 38 HD11 LEU 38 -12.360 2.050 -5.580 310 HD12 LEU 38 HD12 LEU 38 -11.867 3.117 -6.889 311 HD13 LEU 38 HD13 LEU 38 -11.439 1.409 -6.937 312 HD21 LEU 38 HD21 LEU 38 -13.922 0.041 -6.289 313 HD22 LEU 38 HD22 LEU 38 -12.985 -0.225 -7.758 314 HD23 LEU 38 HD23 LEU 38 -14.709 0.129 -7.864 315 H GLY 39 HN GLY 39 -17.027 5.025 -8.024 316 HA2 GLY 39 HA2 GLY 39 -19.103 5.836 -7.342 317 HA3 GLY 39 HA1 GLY 39 -19.391 4.323 -6.495 318 H LEU 40 HN LEU 40 -16.382 5.452 -5.714 319 HA LEU 40 HA LEU 40 -17.273 6.142 -3.046 320 HB2 LEU 40 HB2 LEU 40 -14.416 6.096 -3.971 321 HB3 LEU 40 HB1 LEU 40 -15.063 5.761 -2.376 322 HG LEU 40 HG LEU 40 -15.167 3.984 -4.804 323 HD11 LEU 40 HD11 LEU 40 -13.131 3.582 -3.900 324 HD12 LEU 40 HD12 LEU 40 -14.094 2.474 -2.931 325 HD13 LEU 40 HD13 LEU 40 -13.629 4.041 -2.276 326 HD21 LEU 40 HD21 LEU 40 -16.498 3.584 -2.139 327 HD22 LEU 40 HD22 LEU 40 -16.341 2.353 -3.383 328 HD23 LEU 40 HD23 LEU 40 -17.302 3.800 -3.688 329 H HIS 41 HN HIS 41 -18.095 8.199 -3.147 330 HA HIS 41 HA HIS 41 -16.601 10.321 -4.462 331 HB2 HIS 41 HB2 HIS 41 -19.158 10.487 -2.841 332 HB3 HIS 41 HB1 HIS 41 -18.475 11.769 -3.828 333 HD1 HIS 41 HD1 HIS 41 -18.659 11.516 -6.416 334 HD2 HIS 41 HD2 HIS 41 -20.679 8.564 -4.272 335 HE1 HIS 41 HE1 HIS 41 -20.157 10.372 -8.070 336 HE2 HIS 41 HE2 HIS 41 -21.505 8.747 -6.708 337 H ASP 42 HN ASP 42 -16.304 8.786 -1.601 338 HA ASP 42 HA ASP 42 -15.515 11.222 -0.157 339 HB2 ASP 42 HB2 ASP 42 -16.199 9.937 1.934 340 HB3 ASP 42 HB1 ASP 42 -17.502 10.504 0.896 341 H TYR 43 HN TYR 43 -13.901 9.177 -1.732 342 HA TYR 43 HA TYR 43 -12.565 7.498 0.098 343 HB2 TYR 43 HB2 TYR 43 -12.542 7.029 -2.286 344 HB3 TYR 43 HB1 TYR 43 -11.718 8.542 -2.625 345 HD1 TYR 43 HD1 TYR 43 -11.349 5.189 -1.223 346 HD2 TYR 43 HD2 TYR 43 -9.318 8.728 -2.372 347 HE1 TYR 43 HE1 TYR 43 -9.214 3.995 -1.053 348 HE2 TYR 43 HE2 TYR 43 -7.167 7.549 -2.200 349 HH TYR 43 HH TYR 43 -6.946 4.151 -1.859 350 H HIS 44 HN HIS 44 -11.829 10.764 -1.079 351 HA HIS 44 HA HIS 44 -9.282 10.762 0.293 352 HB2 HIS 44 HB2 HIS 44 -10.736 12.820 -1.346 353 HB3 HIS 44 HB1 HIS 44 -9.278 13.223 -0.446 354 HD1 HIS 44 HD1 HIS 44 -7.079 12.616 -1.483 355 HD2 HIS 44 HD2 HIS 44 -10.308 10.846 -3.414 356 HE1 HIS 44 HE1 HIS 44 -6.134 11.564 -3.567 357 HE2 HIS 44 HE2 HIS 44 -8.132 10.652 -4.792 358 H ASP 45 HN ASP 45 -12.433 11.277 1.247 359 HA ASP 45 HA ASP 45 -11.853 13.250 3.281 360 HB2 ASP 45 HB2 ASP 45 -14.277 11.557 2.689 361 HB3 ASP 45 HB1 ASP 45 -14.175 12.588 4.109 362 H ILE 46 HN ILE 46 -12.127 9.788 2.991 363 HA ILE 46 HA ILE 46 -11.768 9.403 5.847 364 HB ILE 46 HB ILE 46 -12.239 7.514 3.546 365 HG12 ILE 46 HG12 ILE 46 -14.140 6.822 4.996 366 HG13 ILE 46 HG11 ILE 46 -13.708 8.099 6.128 367 HG21 ILE 46 HG21 ILE 46 -10.837 6.090 4.646 368 HG22 ILE 46 HG22 ILE 46 -12.297 5.800 5.587 369 HG23 ILE 46 HG23 ILE 46 -11.056 6.893 6.199 370 HD11 ILE 46 HD11 ILE 46 -14.539 8.514 3.263 371 HD12 ILE 46 HD12 ILE 46 -14.175 9.773 4.445 372 HD13 ILE 46 HD13 ILE 46 -15.572 8.724 4.678 373 H ILE 47 HN ILE 47 -10.056 8.702 2.830 374 HA ILE 47 HA ILE 47 -7.695 7.834 4.253 375 HB ILE 47 HB ILE 47 -7.952 8.381 1.301 376 HG12 ILE 47 HG12 ILE 47 -9.712 6.794 2.211 377 HG13 ILE 47 HG11 ILE 47 -8.678 6.139 0.950 378 HG21 ILE 47 HG21 ILE 47 -6.177 6.605 1.225 379 HG22 ILE 47 HG22 ILE 47 -6.066 6.747 2.975 380 HG23 ILE 47 HG23 ILE 47 -5.689 8.132 1.950 381 HD11 ILE 47 HD11 ILE 47 -8.305 5.666 3.889 382 HD12 ILE 47 HD12 ILE 47 -7.432 4.907 2.561 383 HD13 ILE 47 HD13 ILE 47 -9.138 4.580 2.785 384 H LYS 48 HN LYS 48 -6.798 9.503 5.345 385 HA LYS 48 HA LYS 48 -6.606 12.135 4.174 386 HB2 LYS 48 HB2 LYS 48 -5.793 10.988 6.833 387 HB3 LYS 48 HB1 LYS 48 -5.412 12.636 6.356 388 HG2 LYS 48 HG2 LYS 48 -8.193 11.498 6.448 389 HG3 LYS 48 HG1 LYS 48 -7.453 12.441 7.743 390 HD2 LYS 48 HD2 LYS 48 -7.371 14.388 6.423 391 HD3 LYS 48 HD1 LYS 48 -7.652 13.486 4.937 392 HE2 LYS 48 HE2 LYS 48 -9.882 13.007 5.564 393 HE3 LYS 48 HE1 LYS 48 -9.655 13.733 7.155 394 HZ1 LYS 48 HZ1 LYS 48 -9.350 15.874 6.093 395 HZ2 LYS 48 HZ2 LYS 48 -10.828 15.210 5.628 396 HZ3 LYS 48 HZ3 LYS 48 -9.518 15.182 4.563 397 H HIS 49 HN HIS 49 -4.580 9.368 4.617 398 HA HIS 49 HA HIS 49 -2.323 10.857 3.441 399 HB2 HIS 49 HB2 HIS 49 -2.273 8.575 5.408 400 HB3 HIS 49 HB1 HIS 49 -0.853 9.106 4.516 401 HD1 HIS 49 HD1 HIS 49 0.305 11.243 5.298 402 HD2 HIS 49 HD2 HIS 49 -3.155 10.352 7.426 403 HE1 HIS 49 HE1 HIS 49 0.323 12.774 7.292 404 HE2 HIS 49 HE2 HIS 49 -1.737 12.166 8.605 405 HA PRO 50 HA PRO 50 -3.844 7.294 0.696 406 HB2 PRO 50 HB2 PRO 50 -4.084 8.745 -1.605 407 HB3 PRO 50 HB1 PRO 50 -5.402 8.517 -0.450 408 HG2 PRO 50 HG2 PRO 50 -3.549 10.841 -0.780 409 HG3 PRO 50 HG1 PRO 50 -5.299 10.831 -0.485 410 HD2 PRO 50 HD2 PRO 50 -3.520 11.291 1.495 411 HD3 PRO 50 HD1 PRO 50 -5.043 10.425 1.779 412 H MET 51 HN MET 51 -2.126 6.096 0.219 413 HA MET 51 HA MET 51 -0.070 7.255 -1.504 414 HB2 MET 51 HB2 MET 51 0.900 7.322 0.694 415 HB3 MET 51 HB1 MET 51 0.407 5.670 1.039 416 HG2 MET 51 HG2 MET 51 2.836 5.948 0.534 417 HG3 MET 51 HG1 MET 51 2.004 4.804 -0.525 418 HE1 MET 51 HE1 MET 51 3.227 8.477 -0.163 419 HE2 MET 51 HE2 MET 51 1.637 8.744 -0.867 420 HE3 MET 51 HE3 MET 51 3.089 9.108 -1.801 421 H ASP 52 HN ASP 52 1.009 5.760 -2.823 422 HA ASP 52 HA ASP 52 -0.262 3.120 -3.092 423 HB2 ASP 52 HB2 ASP 52 0.461 4.670 -5.561 424 HB3 ASP 52 HB1 ASP 52 -0.783 3.435 -5.352 425 H LEU 53 HN LEU 53 1.200 1.509 -3.949 426 HA LEU 53 HA LEU 53 3.885 1.855 -3.264 427 HB2 LEU 53 HB2 LEU 53 2.473 -0.170 -4.950 428 HB3 LEU 53 HB1 LEU 53 4.220 -0.204 -4.790 429 HG LEU 53 HG LEU 53 2.352 -0.263 -2.426 430 HD11 LEU 53 HD11 LEU 53 2.090 -2.185 -4.014 431 HD12 LEU 53 HD12 LEU 53 2.559 -2.621 -2.375 432 HD13 LEU 53 HD13 LEU 53 3.761 -2.612 -3.669 433 HD21 LEU 53 HD21 LEU 53 4.546 0.467 -1.856 434 HD22 LEU 53 HD22 LEU 53 5.284 -0.843 -2.768 435 HD23 LEU 53 HD23 LEU 53 4.360 -1.195 -1.307 436 H SER 54 HN SER 54 2.271 2.340 -6.333 437 HA SER 54 HA SER 54 4.538 2.745 -7.938 438 HB2 SER 54 HB2 SER 54 2.953 4.162 -9.333 439 HB3 SER 54 HB1 SER 54 2.398 2.516 -9.012 440 HG SER 54 HG SER 54 0.825 3.251 -7.811 441 H THR 55 HN THR 55 2.699 4.982 -5.913 442 HA THR 55 HA THR 55 4.178 7.300 -6.640 443 HB THR 55 HB THR 55 2.608 7.010 -4.085 444 HG1 THR 55 HG1 THR 55 0.764 7.052 -5.230 445 HG21 THR 55 HG21 THR 55 3.980 9.049 -4.643 446 HG22 THR 55 HG22 THR 55 2.274 9.342 -4.307 447 HG23 THR 55 HG23 THR 55 2.861 9.341 -5.972 448 H VAL 56 HN VAL 56 4.394 4.911 -4.060 449 HA VAL 56 HA VAL 56 6.334 6.184 -2.476 450 HB VAL 56 HB VAL 56 5.987 3.217 -2.975 451 HG11 VAL 56 HG11 VAL 56 8.203 3.793 -2.074 452 HG12 VAL 56 HG12 VAL 56 7.224 2.893 -0.911 453 HG13 VAL 56 HG13 VAL 56 7.424 4.636 -0.732 454 HG21 VAL 56 HG21 VAL 56 4.006 4.391 -2.049 455 HG22 VAL 56 HG22 VAL 56 4.993 4.901 -0.682 456 HG23 VAL 56 HG23 VAL 56 4.686 3.186 -0.957 457 H LYS 57 HN LYS 57 6.611 3.967 -5.207 458 HA LYS 57 HA LYS 57 9.423 3.911 -5.318 459 HB2 LYS 57 HB2 LYS 57 7.368 2.665 -6.663 460 HB3 LYS 57 HB1 LYS 57 8.074 3.689 -7.905 461 HG2 LYS 57 HG2 LYS 57 10.293 2.717 -7.355 462 HG3 LYS 57 HG1 LYS 57 9.481 1.601 -6.268 463 HD2 LYS 57 HD2 LYS 57 8.087 0.873 -8.232 464 HD3 LYS 57 HD1 LYS 57 9.196 1.799 -9.249 465 HE2 LYS 57 HE2 LYS 57 11.074 0.484 -8.338 466 HE3 LYS 57 HE1 LYS 57 9.919 -0.475 -7.411 467 HZ1 LYS 57 HZ1 LYS 57 8.882 -1.111 -9.549 468 HZ2 LYS 57 HZ2 LYS 57 10.483 -1.635 -9.417 469 HZ3 LYS 57 HZ3 LYS 57 10.112 -0.290 -10.370 470 H ARG 58 HN ARG 58 6.984 5.922 -6.852 471 HA ARG 58 HA ARG 58 8.596 7.438 -8.532 472 HB2 ARG 58 HB2 ARG 58 6.144 7.497 -8.531 473 HB3 ARG 58 HB1 ARG 58 6.158 8.302 -6.972 474 HG2 ARG 58 HG2 ARG 58 7.353 10.197 -7.984 475 HG3 ARG 58 HG1 ARG 58 7.237 9.413 -9.552 476 HD2 ARG 58 HD2 ARG 58 4.844 9.565 -9.504 477 HD3 ARG 58 HD1 ARG 58 4.882 10.141 -7.838 478 HE ARG 58 HE ARG 58 6.348 11.996 -9.091 479 HH11 ARG 58 HH11 ARG 58 3.226 10.626 -9.892 480 HH12 ARG 58 HH12 ARG 58 2.631 12.090 -10.607 481 HH21 ARG 58 HH21 ARG 58 5.580 13.905 -10.038 482 HH22 ARG 58 HH22 ARG 58 3.976 13.953 -10.704 483 H LYS 59 HN LYS 59 7.660 8.110 -5.166 484 HA LYS 59 HA LYS 59 9.228 10.494 -5.026 485 HB2 LYS 59 HB2 LYS 59 7.960 8.840 -2.828 486 HB3 LYS 59 HB1 LYS 59 8.681 10.428 -2.608 487 HG2 LYS 59 HG2 LYS 59 7.011 11.488 -3.870 488 HG3 LYS 59 HG1 LYS 59 6.438 9.960 -4.540 489 HD2 LYS 59 HD2 LYS 59 4.899 10.823 -2.848 490 HD3 LYS 59 HD1 LYS 59 5.613 9.294 -2.339 491 HE2 LYS 59 HE2 LYS 59 6.978 11.791 -1.491 492 HE3 LYS 59 HE1 LYS 59 5.435 11.409 -0.731 493 HZ1 LYS 59 HZ1 LYS 59 6.278 9.375 0.088 494 HZ2 LYS 59 HZ2 LYS 59 7.458 10.542 0.428 495 HZ3 LYS 59 HZ3 LYS 59 7.670 9.478 -0.866 496 H MET 60 HN MET 60 9.783 7.119 -4.245 497 HA MET 60 HA MET 60 12.299 7.428 -2.994 498 HB2 MET 60 HB2 MET 60 11.108 5.282 -2.947 499 HB3 MET 60 HB1 MET 60 11.274 5.133 -4.692 500 HG2 MET 60 HG2 MET 60 13.814 5.275 -4.211 501 HG3 MET 60 HG1 MET 60 13.349 4.866 -2.563 502 HE1 MET 60 HE1 MET 60 11.850 2.789 -1.985 503 HE2 MET 60 HE2 MET 60 11.505 1.457 -3.086 504 HE3 MET 60 HE3 MET 60 10.712 3.016 -3.314 505 H GLU 61 HN GLU 61 11.316 7.179 -6.387 506 HA GLU 61 HA GLU 61 13.943 7.078 -7.454 507 HB2 GLU 61 HB2 GLU 61 11.264 7.784 -8.615 508 HB3 GLU 61 HB1 GLU 61 12.733 7.934 -9.567 509 HG2 GLU 61 HG2 GLU 61 13.202 5.545 -9.154 510 HG3 GLU 61 HG1 GLU 61 11.674 5.427 -8.282 511 H ASN 62 HN ASN 62 11.875 9.684 -6.448 512 HA ASN 62 HA ASN 62 13.575 11.741 -7.557 513 HB2 ASN 62 HB2 ASN 62 11.219 11.792 -5.675 514 HB3 ASN 62 HB1 ASN 62 12.182 13.231 -5.979 515 HD21 ASN 62 HD21 ASN 62 11.484 10.790 -8.406 516 HD22 ASN 62 HD22 ASN 62 10.467 11.792 -9.377 517 H ARG 63 HN ARG 63 13.866 9.593 -5.166 518 HA ARG 63 HA ARG 63 15.208 9.267 -3.401 519 HB2 ARG 63 HB2 ARG 63 16.769 11.616 -4.473 520 HB3 ARG 63 HB1 ARG 63 17.377 10.306 -3.474 521 HG2 ARG 63 HG2 ARG 63 16.263 9.891 -6.236 522 HG3 ARG 63 HG1 ARG 63 17.969 10.181 -5.889 523 HD2 ARG 63 HD2 ARG 63 18.145 8.184 -4.628 524 HD3 ARG 63 HD1 ARG 63 16.409 7.899 -4.685 525 HE ARG 63 HE ARG 63 16.616 7.295 -6.968 526 HH11 ARG 63 HH11 ARG 63 19.694 8.052 -5.493 527 HH12 ARG 63 HH12 ARG 63 20.626 7.226 -6.708 528 HH21 ARG 63 HH21 ARG 63 17.848 6.235 -8.593 529 HH22 ARG 63 HH22 ARG 63 19.579 6.218 -8.478 530 H ASP 64 HN ASP 64 12.944 10.903 -3.015 531 HA ASP 64 HA ASP 64 13.583 13.040 -1.217 532 HB2 ASP 64 HB2 ASP 64 11.097 11.549 -1.953 533 HB3 ASP 64 HB1 ASP 64 11.098 12.501 -0.476 534 H TYR 65 HN TYR 65 13.658 9.692 -0.980 535 HA TYR 65 HA TYR 65 13.048 9.572 1.865 536 HB2 TYR 65 HB2 TYR 65 13.827 7.391 -0.093 537 HB3 TYR 65 HB1 TYR 65 13.373 7.127 1.584 538 HD1 TYR 65 HD1 TYR 65 11.562 5.624 1.028 539 HD2 TYR 65 HD2 TYR 65 11.634 9.574 -0.533 540 HE1 TYR 65 HE1 TYR 65 9.213 5.394 0.326 541 HE2 TYR 65 HE2 TYR 65 9.304 9.350 -1.224 542 HH TYR 65 HH TYR 65 7.253 7.038 -0.109 543 H ARG 66 HN ARG 66 14.570 9.377 3.426 544 HA ARG 66 HA ARG 66 17.368 9.410 2.578 545 HB2 ARG 66 HB2 ARG 66 16.715 11.109 4.178 546 HB3 ARG 66 HB1 ARG 66 16.058 9.893 5.259 547 HG2 ARG 66 HG2 ARG 66 18.347 8.991 5.566 548 HG3 ARG 66 HG1 ARG 66 18.959 10.318 4.571 549 HD2 ARG 66 HD2 ARG 66 17.936 11.910 6.172 550 HD3 ARG 66 HD1 ARG 66 17.477 10.545 7.183 551 HE ARG 66 HE ARG 66 20.210 11.488 6.679 552 HH11 ARG 66 HH11 ARG 66 18.013 9.387 8.423 553 HH12 ARG 66 HH12 ARG 66 19.144 9.055 9.696 554 HH21 ARG 66 HH21 ARG 66 21.696 11.050 8.348 555 HH22 ARG 66 HH22 ARG 66 21.239 9.995 9.649 556 H ASP 67 HN ASP 67 15.026 7.385 4.202 557 HA ASP 67 HA ASP 67 16.973 5.231 4.319 558 HB2 ASP 67 HB2 ASP 67 15.571 6.343 6.749 559 HB3 ASP 67 HB1 ASP 67 16.183 4.696 6.696 560 H ALA 68 HN ALA 68 15.887 3.179 5.038 561 HA ALA 68 HA ALA 68 13.652 2.768 3.320 562 HB1 ALA 68 HB1 ALA 68 14.912 0.907 5.322 563 HB2 ALA 68 HB2 ALA 68 15.374 1.065 3.625 564 HB3 ALA 68 HB3 ALA 68 13.778 0.445 4.052 565 H GLN 69 HN GLN 69 14.004 3.651 6.592 566 HA GLN 69 HA GLN 69 11.512 2.623 7.524 567 HB2 GLN 69 HB2 GLN 69 13.352 3.236 9.066 568 HB3 GLN 69 HB1 GLN 69 13.112 4.926 8.640 569 HG2 GLN 69 HG2 GLN 69 12.001 4.532 10.704 570 HG3 GLN 69 HG1 GLN 69 10.784 4.729 9.446 571 HE21 GLN 69 HE21 GLN 69 9.220 3.654 10.646 572 HE22 GLN 69 HE22 GLN 69 9.252 1.938 10.864 573 H GLU 70 HN GLU 70 12.575 5.497 5.886 574 HA GLU 70 HA GLU 70 10.121 6.921 6.111 575 HB2 GLU 70 HB2 GLU 70 12.486 7.164 4.258 576 HB3 GLU 70 HB1 GLU 70 11.069 8.204 4.127 577 HG2 GLU 70 HG2 GLU 70 11.432 9.099 6.300 578 HG3 GLU 70 HG1 GLU 70 12.696 7.915 6.633 579 H PHE 71 HN PHE 71 11.499 4.617 3.862 580 HA PHE 71 HA PHE 71 9.328 4.594 2.050 581 HB2 PHE 71 HB2 PHE 71 11.155 3.482 1.179 582 HB3 PHE 71 HB1 PHE 71 11.552 2.697 2.700 583 HD1 PHE 71 HD1 PHE 71 9.402 2.600 -0.263 584 HD2 PHE 71 HD2 PHE 71 10.554 0.569 3.282 585 HE1 PHE 71 HE1 PHE 71 8.283 0.565 -1.073 586 HE2 PHE 71 HE2 PHE 71 9.434 -1.467 2.490 587 HZ PHE 71 HZ PHE 71 8.299 -1.475 0.304 588 H ALA 72 HN ALA 72 10.099 2.509 4.838 589 HA ALA 72 HA ALA 72 7.780 1.004 4.881 590 HB1 ALA 72 HB1 ALA 72 9.594 1.875 7.122 591 HB2 ALA 72 HB2 ALA 72 9.609 0.345 6.245 592 HB3 ALA 72 HB3 ALA 72 8.275 0.724 7.334 593 H ALA 73 HN ALA 73 8.441 4.187 6.190 594 HA ALA 73 HA ALA 73 6.144 4.668 7.640 595 HB1 ALA 73 HB1 ALA 73 7.945 6.442 6.041 596 HB2 ALA 73 HB2 ALA 73 7.812 6.283 7.794 597 HB3 ALA 73 HB3 ALA 73 6.535 7.090 6.882 598 H ASP 74 HN ASP 74 6.746 5.216 4.193 599 HA ASP 74 HA ASP 74 4.160 6.248 3.636 600 HB2 ASP 74 HB2 ASP 74 6.624 5.819 2.235 601 HB3 ASP 74 HB1 ASP 74 5.292 5.210 1.265 602 H VAL 75 HN VAL 75 5.687 3.104 2.930 603 HA VAL 75 HA VAL 75 3.459 2.072 1.545 604 HB VAL 75 HB VAL 75 5.590 1.099 1.114 605 HG11 VAL 75 HG11 VAL 75 6.766 1.430 3.142 606 HG12 VAL 75 HG12 VAL 75 6.734 -0.309 2.841 607 HG13 VAL 75 HG13 VAL 75 5.645 0.401 4.033 608 HG21 VAL 75 HG21 VAL 75 5.155 -1.328 1.532 609 HG22 VAL 75 HG22 VAL 75 3.816 -0.453 0.782 610 HG23 VAL 75 HG23 VAL 75 3.761 -0.844 2.501 611 H ARG 76 HN ARG 76 4.426 1.795 4.956 612 HA ARG 76 HA ARG 76 2.361 -0.099 5.541 613 HB2 ARG 76 HB2 ARG 76 3.223 -0.218 7.638 614 HB3 ARG 76 HB1 ARG 76 4.597 0.550 6.864 615 HG2 ARG 76 HG2 ARG 76 3.782 2.734 7.623 616 HG3 ARG 76 HG1 ARG 76 2.435 1.942 8.426 617 HD2 ARG 76 HD2 ARG 76 3.963 0.756 9.892 618 HD3 ARG 76 HD1 ARG 76 5.352 1.457 9.066 619 HE ARG 76 HE ARG 76 3.754 3.554 9.946 620 HH11 ARG 76 HH11 ARG 76 5.666 0.972 11.350 621 HH12 ARG 76 HH12 ARG 76 6.047 1.872 12.784 622 HH21 ARG 76 HH21 ARG 76 4.250 4.722 11.832 623 HH22 ARG 76 HH22 ARG 76 5.234 3.994 13.059 624 H LEU 77 HN LEU 77 2.594 3.393 5.531 625 HA LEU 77 HA LEU 77 0.191 3.998 6.867 626 HB2 LEU 77 HB2 LEU 77 2.174 5.385 5.388 627 HB3 LEU 77 HB1 LEU 77 0.622 5.795 4.684 628 HG LEU 77 HG LEU 77 1.443 6.175 7.559 629 HD11 LEU 77 HD11 LEU 77 0.963 8.039 5.275 630 HD12 LEU 77 HD12 LEU 77 2.439 7.829 6.211 631 HD13 LEU 77 HD13 LEU 77 1.019 8.570 6.952 632 HD21 LEU 77 HD21 LEU 77 -1.197 6.544 6.176 633 HD22 LEU 77 HD22 LEU 77 -0.783 7.381 7.672 634 HD23 LEU 77 HD23 LEU 77 -0.848 5.619 7.637 635 H MET 78 HN MET 78 0.896 3.174 3.512 636 HA MET 78 HA MET 78 -1.660 3.614 2.457 637 HB2 MET 78 HB2 MET 78 0.132 3.326 0.938 638 HB3 MET 78 HB1 MET 78 0.587 1.783 1.647 639 HG2 MET 78 HG2 MET 78 -2.133 1.928 0.520 640 HG3 MET 78 HG1 MET 78 -0.798 2.034 -0.637 641 HE1 MET 78 HE1 MET 78 1.488 0.240 0.508 642 HE2 MET 78 HE2 MET 78 0.889 0.170 -1.146 643 HE3 MET 78 HE3 MET 78 1.067 -1.313 -0.211 644 H PHE 79 HN PHE 79 -0.231 0.608 3.760 645 HA PHE 79 HA PHE 79 -2.546 -0.968 3.543 646 HB2 PHE 79 HB2 PHE 79 -0.328 -1.141 5.599 647 HB3 PHE 79 HB1 PHE 79 -1.550 -2.377 5.339 648 HD1 PHE 79 HD1 PHE 79 -1.725 -2.766 2.537 649 HD2 PHE 79 HD2 PHE 79 1.710 -1.841 4.867 650 HE1 PHE 79 HE1 PHE 79 -0.295 -3.813 0.834 651 HE2 PHE 79 HE2 PHE 79 3.149 -2.881 3.173 652 HZ PHE 79 HZ PHE 79 2.167 -3.861 1.142 653 H SER 80 HN SER 80 -1.486 1.243 6.078 654 HA SER 80 HA SER 80 -3.448 0.694 7.998 655 HB2 SER 80 HB2 SER 80 -1.402 2.096 8.361 656 HB3 SER 80 HB1 SER 80 -2.157 3.379 7.416 657 HG SER 80 HG SER 80 -3.042 2.286 9.884 658 H ASN 81 HN ASN 81 -3.419 2.922 5.257 659 HA ASN 81 HA ASN 81 -5.871 4.187 5.673 660 HB2 ASN 81 HB2 ASN 81 -4.521 3.501 3.059 661 HB3 ASN 81 HB1 ASN 81 -5.855 4.631 3.238 662 HD21 ASN 81 HD21 ASN 81 -3.101 4.941 2.288 663 HD22 ASN 81 HD22 ASN 81 -2.445 6.247 3.214 664 H CYS 82 HN CYS 82 -5.087 1.166 4.056 665 HA CYS 82 HA CYS 82 -7.586 0.649 2.901 666 HB2 CYS 82 HB2 CYS 82 -5.603 -1.397 3.929 667 HB3 CYS 82 HB1 CYS 82 -6.840 -1.654 2.705 668 HG CYS 82 HG CYS 82 -4.095 0.370 2.359 669 H TYR 83 HN TYR 83 -6.296 -0.159 6.116 670 HA TYR 83 HA TYR 83 -8.623 -1.625 6.891 671 HB2 TYR 83 HB2 TYR 83 -6.506 -0.338 8.628 672 HB3 TYR 83 HB1 TYR 83 -7.747 -1.459 9.190 673 HD1 TYR 83 HD1 TYR 83 -7.686 -3.496 7.036 674 HD2 TYR 83 HD2 TYR 83 -4.474 -1.478 8.992 675 HE1 TYR 83 HE1 TYR 83 -6.210 -5.408 6.588 676 HE2 TYR 83 HE2 TYR 83 -3.007 -3.390 8.544 677 HH TYR 83 HH TYR 83 -3.195 -5.790 8.084 678 H LYS 84 HN LYS 84 -7.796 1.748 6.869 679 HA LYS 84 HA LYS 84 -9.720 2.643 8.755 680 HB2 LYS 84 HB2 LYS 84 -8.443 4.066 6.407 681 HB3 LYS 84 HB1 LYS 84 -9.539 4.840 7.538 682 HG2 LYS 84 HG2 LYS 84 -7.997 4.433 9.362 683 HG3 LYS 84 HG1 LYS 84 -6.903 3.586 8.264 684 HD2 LYS 84 HD2 LYS 84 -6.238 5.940 8.707 685 HD3 LYS 84 HD1 LYS 84 -6.522 5.598 7.001 686 HE2 LYS 84 HE2 LYS 84 -7.489 7.744 7.621 687 HE3 LYS 84 HE1 LYS 84 -8.757 6.603 7.168 688 HZ1 LYS 84 HZ1 LYS 84 -9.367 7.834 9.143 689 HZ2 LYS 84 HZ2 LYS 84 -7.965 7.338 9.940 690 HZ3 LYS 84 HZ3 LYS 84 -9.152 6.205 9.537 691 H TYR 85 HN TYR 85 -9.758 2.306 5.243 692 HA TYR 85 HA TYR 85 -12.345 3.505 5.004 693 HB2 TYR 85 HB2 TYR 85 -10.614 3.714 3.270 694 HB3 TYR 85 HB1 TYR 85 -10.717 1.986 2.951 695 HD1 TYR 85 HD1 TYR 85 -12.727 5.061 3.076 696 HD2 TYR 85 HD2 TYR 85 -12.310 1.233 1.283 697 HE1 TYR 85 HE1 TYR 85 -14.578 5.593 1.556 698 HE2 TYR 85 HE2 TYR 85 -14.157 1.746 -0.254 699 HH TYR 85 HH TYR 85 -15.548 4.955 -0.434 700 H ASN 86 HN ASN 86 -11.051 0.229 4.747 701 HA ASN 86 HA ASN 86 -13.658 -0.726 3.849 702 HB2 ASN 86 HB2 ASN 86 -10.997 -2.157 3.895 703 HB3 ASN 86 HB1 ASN 86 -12.468 -2.690 3.084 704 HD21 ASN 86 HD21 ASN 86 -9.793 -0.489 3.013 705 HD22 ASN 86 HD22 ASN 86 -10.031 0.073 1.390 706 HA PRO 87 HA PRO 87 -14.435 -2.732 7.749 707 HB2 PRO 87 HB2 PRO 87 -16.320 -4.519 6.587 708 HB3 PRO 87 HB1 PRO 87 -16.646 -3.038 7.478 709 HG2 PRO 87 HG2 PRO 87 -17.044 -3.501 4.727 710 HG3 PRO 87 HG1 PRO 87 -17.197 -1.955 5.578 711 HD2 PRO 87 HD2 PRO 87 -15.065 -2.921 3.815 712 HD3 PRO 87 HD1 PRO 87 -15.432 -1.270 4.346 713 HA PRO 88 HA PRO 88 -11.842 -6.144 8.287 714 HB2 PRO 88 HB2 PRO 88 -13.592 -7.901 9.625 715 HB3 PRO 88 HB1 PRO 88 -12.513 -6.711 10.347 716 HG2 PRO 88 HG2 PRO 88 -15.413 -6.497 9.710 717 HG3 PRO 88 HG1 PRO 88 -14.509 -5.821 11.077 718 HD2 PRO 88 HD2 PRO 88 -15.273 -4.252 9.084 719 HD3 PRO 88 HD1 PRO 88 -13.651 -4.069 9.797 720 H ASP 89 HN ASP 89 -14.894 -6.948 6.745 721 HA ASP 89 HA ASP 89 -13.902 -9.605 6.027 722 HB2 ASP 89 HB2 ASP 89 -16.338 -9.309 6.530 723 HB3 ASP 89 HB1 ASP 89 -16.483 -8.308 5.083 724 H HIS 90 HN HIS 90 -15.422 -7.174 3.960 725 HA HIS 90 HA HIS 90 -14.740 -6.996 1.601 726 HB2 HIS 90 HB2 HIS 90 -14.555 -4.968 3.525 727 HB3 HIS 90 HB1 HIS 90 -13.014 -4.905 2.729 728 HD1 HIS 90 HD1 HIS 90 -13.133 -2.832 1.515 729 HD2 HIS 90 HD2 HIS 90 -16.583 -5.041 0.841 730 HE1 HIS 90 HE1 HIS 90 -14.533 -1.491 -0.040 731 HE2 HIS 90 HE2 HIS 90 -16.416 -3.009 -0.695 732 H ASP 91 HN ASP 91 -13.226 -7.419 0.077 733 HA ASP 91 HA ASP 91 -11.064 -9.032 0.677 734 HB2 ASP 91 HB2 ASP 91 -11.691 -7.469 -1.820 735 HB3 ASP 91 HB1 ASP 91 -10.398 -8.658 -1.716 736 H VAL 92 HN VAL 92 -11.061 -5.519 0.351 737 HA VAL 92 HA VAL 92 -8.288 -5.392 -0.294 738 HB VAL 92 HB VAL 92 -9.190 -2.902 0.823 739 HG11 VAL 92 HG11 VAL 92 -7.346 -3.296 -0.806 740 HG12 VAL 92 HG12 VAL 92 -8.482 -2.044 -1.291 741 HG13 VAL 92 HG13 VAL 92 -8.565 -3.644 -2.026 742 HG21 VAL 92 HG21 VAL 92 -11.407 -3.523 0.312 743 HG22 VAL 92 HG22 VAL 92 -10.950 -4.200 -1.242 744 HG23 VAL 92 HG23 VAL 92 -10.883 -2.456 -0.979 745 H VAL 93 HN VAL 93 -9.956 -5.720 2.692 746 HA VAL 93 HA VAL 93 -7.702 -4.738 4.229 747 HB VAL 93 HB VAL 93 -8.863 -5.435 6.220 748 HG11 VAL 93 HG11 VAL 93 -10.980 -4.360 4.379 749 HG12 VAL 93 HG12 VAL 93 -9.639 -3.386 4.992 750 HG13 VAL 93 HG13 VAL 93 -10.803 -4.088 6.115 751 HG21 VAL 93 HG21 VAL 93 -10.879 -6.788 4.439 752 HG22 VAL 93 HG22 VAL 93 -10.960 -6.656 6.197 753 HG23 VAL 93 HG23 VAL 93 -9.676 -7.602 5.440 754 H ALA 94 HN ALA 94 -8.990 -7.761 3.082 755 HA ALA 94 HA ALA 94 -7.229 -9.466 4.523 756 HB1 ALA 94 HB1 ALA 94 -8.723 -10.005 1.956 757 HB2 ALA 94 HB2 ALA 94 -9.356 -10.251 3.581 758 HB3 ALA 94 HB3 ALA 94 -7.992 -11.212 3.012 759 H MET 95 HN MET 95 -7.195 -8.029 1.291 760 HA MET 95 HA MET 95 -4.767 -9.256 0.482 761 HB2 MET 95 HB2 MET 95 -6.172 -6.774 -0.528 762 HB3 MET 95 HB1 MET 95 -4.731 -7.453 -1.279 763 HG2 MET 95 HG2 MET 95 -5.997 -9.577 -1.629 764 HG3 MET 95 HG1 MET 95 -7.438 -8.764 -1.022 765 HE1 MET 95 HE1 MET 95 -8.227 -6.404 -2.090 766 HE2 MET 95 HE2 MET 95 -9.161 -7.721 -2.792 767 HE3 MET 95 HE3 MET 95 -8.527 -6.446 -3.825 768 H ALA 96 HN ALA 96 -5.537 -6.256 2.170 769 HA ALA 96 HA ALA 96 -2.899 -5.184 2.143 770 HB1 ALA 96 HB1 ALA 96 -4.708 -3.712 2.640 771 HB2 ALA 96 HB2 ALA 96 -3.704 -3.825 4.084 772 HB3 ALA 96 HB3 ALA 96 -5.226 -4.712 3.996 773 H ARG 97 HN ARG 97 -4.631 -7.410 4.196 774 HA ARG 97 HA ARG 97 -2.779 -7.459 6.347 775 HB2 ARG 97 HB2 ARG 97 -5.216 -8.158 6.392 776 HB3 ARG 97 HB1 ARG 97 -4.725 -9.633 5.574 777 HG2 ARG 97 HG2 ARG 97 -3.202 -10.107 7.486 778 HG3 ARG 97 HG1 ARG 97 -3.893 -8.706 8.310 779 HD2 ARG 97 HD2 ARG 97 -5.362 -11.178 7.405 780 HD3 ARG 97 HD1 ARG 97 -4.994 -10.720 9.067 781 HE ARG 97 HE ARG 97 -6.447 -8.630 7.991 782 HH11 ARG 97 HH11 ARG 97 -6.929 -12.024 8.650 783 HH12 ARG 97 HH12 ARG 97 -8.645 -11.880 8.863 784 HH21 ARG 97 HH21 ARG 97 -8.719 -8.415 8.288 785 HH22 ARG 97 HH22 ARG 97 -9.661 -9.824 8.660 786 H LYS 98 HN LYS 98 -3.274 -9.490 3.497 787 HA LYS 98 HA LYS 98 -1.265 -11.388 4.220 788 HB2 LYS 98 HB2 LYS 98 -3.214 -11.877 2.747 789 HB3 LYS 98 HB1 LYS 98 -2.492 -10.869 1.507 790 HG2 LYS 98 HG2 LYS 98 -0.538 -12.390 1.468 791 HG3 LYS 98 HG1 LYS 98 -1.359 -13.415 2.643 792 HD2 LYS 98 HD2 LYS 98 -3.215 -13.716 1.049 793 HD3 LYS 98 HD1 LYS 98 -2.335 -12.740 -0.127 794 HE2 LYS 98 HE2 LYS 98 -2.041 -15.106 -0.576 795 HE3 LYS 98 HE1 LYS 98 -0.520 -14.343 -0.126 796 HZ1 LYS 98 HZ1 LYS 98 -0.808 -15.230 2.121 797 HZ2 LYS 98 HZ2 LYS 98 -0.761 -16.464 0.970 798 HZ3 LYS 98 HZ3 LYS 98 -2.238 -15.996 1.643 799 H LEU 99 HN LEU 99 -1.374 -8.663 1.936 800 HA LEU 99 HA LEU 99 1.329 -8.781 1.181 801 HB2 LEU 99 HB2 LEU 99 -0.810 -6.758 1.029 802 HB3 LEU 99 HB1 LEU 99 0.819 -6.147 0.994 803 HG LEU 99 HG LEU 99 -0.710 -7.466 -1.112 804 HD11 LEU 99 HD11 LEU 99 1.892 -5.998 -1.250 805 HD12 LEU 99 HD12 LEU 99 0.351 -5.167 -1.035 806 HD13 LEU 99 HD13 LEU 99 0.644 -6.126 -2.487 807 HD21 LEU 99 HD21 LEU 99 2.197 -8.201 -0.874 808 HD22 LEU 99 HD22 LEU 99 1.048 -8.707 -2.112 809 HD23 LEU 99 HD23 LEU 99 0.884 -9.313 -0.467 810 H GLN 100 HN GLN 100 -0.232 -7.429 4.016 811 HA GLN 100 HA GLN 100 1.944 -5.979 5.042 812 HB2 GLN 100 HB2 GLN 100 -0.294 -5.932 6.092 813 HB3 GLN 100 HB1 GLN 100 -0.117 -7.618 6.558 814 HG2 GLN 100 HG2 GLN 100 0.339 -6.330 8.484 815 HG3 GLN 100 HG1 GLN 100 1.883 -6.942 7.905 816 HE21 GLN 100 HE21 GLN 100 0.192 -4.300 6.381 817 HE22 GLN 100 HE22 GLN 100 1.305 -3.062 6.847 818 H ASP 101 HN ASP 101 1.055 -9.377 5.300 819 HA ASP 101 HA ASP 101 3.035 -10.307 6.980 820 HB2 ASP 101 HB2 ASP 101 1.245 -11.752 6.348 821 HB3 ASP 101 HB1 ASP 101 1.663 -11.636 4.645 822 H VAL 102 HN VAL 102 3.162 -10.147 3.405 823 HA VAL 102 HA VAL 102 5.834 -11.072 3.280 824 HB VAL 102 HB VAL 102 4.669 -11.331 1.274 825 HG11 VAL 102 HG11 VAL 102 3.791 -9.333 0.015 826 HG12 VAL 102 HG12 VAL 102 3.883 -8.471 1.548 827 HG13 VAL 102 HG13 VAL 102 2.861 -9.901 1.397 828 HG21 VAL 102 HG21 VAL 102 6.085 -8.935 0.329 829 HG22 VAL 102 HG22 VAL 102 6.187 -10.609 -0.226 830 HG23 VAL 102 HG23 VAL 102 7.054 -10.108 1.227 831 H PHE 103 HN PHE 103 4.582 -7.741 2.868 832 HA PHE 103 HA PHE 103 7.044 -6.494 2.577 833 HB2 PHE 103 HB2 PHE 103 5.355 -5.055 2.069 834 HB3 PHE 103 HB1 PHE 103 4.346 -5.564 3.419 835 HD1 PHE 103 HD1 PHE 103 7.656 -3.917 2.881 836 HD2 PHE 103 HD2 PHE 103 4.001 -3.949 5.094 837 HE1 PHE 103 HE1 PHE 103 8.403 -1.952 4.154 838 HE2 PHE 103 HE2 PHE 103 4.755 -1.988 6.356 839 HZ PHE 103 HZ PHE 103 6.954 -0.987 5.895 840 H GLU 104 HN GLU 104 5.380 -7.367 5.588 841 HA GLU 104 HA GLU 104 7.172 -5.892 7.238 842 HB2 GLU 104 HB2 GLU 104 5.011 -6.165 8.095 843 HB3 GLU 104 HB1 GLU 104 4.945 -7.862 7.651 844 HG2 GLU 104 HG2 GLU 104 5.084 -7.658 10.022 845 HG3 GLU 104 HG1 GLU 104 6.564 -8.354 9.375 846 H PHE 105 HN PHE 105 6.942 -9.142 5.986 847 HA PHE 105 HA PHE 105 9.008 -10.249 7.626 848 HB2 PHE 105 HB2 PHE 105 7.172 -11.536 6.439 849 HB3 PHE 105 HB1 PHE 105 8.055 -11.259 4.943 850 HD1 PHE 105 HD1 PHE 105 8.283 -12.827 8.283 851 HD2 PHE 105 HD2 PHE 105 9.846 -12.645 4.328 852 HE1 PHE 105 HE1 PHE 105 9.600 -14.859 8.713 853 HE2 PHE 105 HE2 PHE 105 11.164 -14.673 4.753 854 HZ PHE 105 HZ PHE 105 11.043 -15.785 6.947 855 H ARG 106 HN ARG 106 8.833 -8.665 4.498 856 HA ARG 106 HA ARG 106 11.481 -9.265 3.682 857 HB2 ARG 106 HB2 ARG 106 9.681 -7.003 2.802 858 HB3 ARG 106 HB1 ARG 106 11.156 -7.510 2.014 859 HG2 ARG 106 HG2 ARG 106 8.718 -9.174 2.317 860 HG3 ARG 106 HG1 ARG 106 9.229 -8.310 0.859 861 HD2 ARG 106 HD2 ARG 106 10.477 -10.657 2.199 862 HD3 ARG 106 HD1 ARG 106 10.042 -10.392 0.535 863 HE ARG 106 HE ARG 106 11.953 -8.613 0.750 864 HH11 ARG 106 HH11 ARG 106 11.824 -11.920 1.865 865 HH12 ARG 106 HH12 ARG 106 13.535 -12.177 1.716 866 HH21 ARG 106 HH21 ARG 106 14.216 -8.946 0.544 867 HH22 ARG 106 HH22 ARG 106 14.893 -10.487 0.963 868 H TYR 107 HN TYR 107 9.995 -6.482 5.319 869 HA TYR 107 HA TYR 107 12.438 -5.032 5.510 870 HB2 TYR 107 HB2 TYR 107 10.079 -4.060 5.754 871 HB3 TYR 107 HB1 TYR 107 10.102 -4.692 7.399 872 HD1 TYR 107 HD1 TYR 107 11.159 -2.021 5.221 873 HD2 TYR 107 HD2 TYR 107 11.887 -3.853 8.991 874 HE1 TYR 107 HE1 TYR 107 12.370 -0.013 5.964 875 HE2 TYR 107 HE2 TYR 107 13.099 -1.851 9.732 876 HH TYR 107 HH TYR 107 14.329 0.016 8.749 877 H ALA 108 HN ALA 108 11.013 -7.611 7.332 878 HA ALA 108 HA ALA 108 12.509 -7.304 9.716 879 HB1 ALA 108 HB1 ALA 108 10.488 -8.704 9.532 880 HB2 ALA 108 HB2 ALA 108 11.860 -9.564 10.230 881 HB3 ALA 108 HB3 ALA 108 11.401 -9.849 8.551 882 H LYS 109 HN LYS 109 13.048 -9.243 6.787 883 HA LYS 109 HA LYS 109 15.600 -10.189 7.623 884 HB2 LYS 109 HB2 LYS 109 14.127 -10.161 5.015 885 HB3 LYS 109 HB1 LYS 109 15.838 -10.582 5.060 886 HG2 LYS 109 HG2 LYS 109 15.416 -12.443 6.497 887 HG3 LYS 109 HG1 LYS 109 13.747 -11.944 6.747 888 HD2 LYS 109 HD2 LYS 109 13.240 -12.414 4.403 889 HD3 LYS 109 HD1 LYS 109 14.913 -12.887 4.113 890 HE2 LYS 109 HE2 LYS 109 13.019 -14.231 6.030 891 HE3 LYS 109 HE1 LYS 109 13.460 -14.830 4.431 892 HZ1 LYS 109 HZ1 LYS 109 15.308 -14.452 6.726 893 HZ2 LYS 109 HZ2 LYS 109 15.764 -14.975 5.186 894 HZ3 LYS 109 HZ3 LYS 109 14.740 -15.930 6.133 895 H MET 110 HN MET 110 14.457 -7.311 6.157 896 HA MET 110 HA MET 110 16.966 -6.356 5.206 897 HB2 MET 110 HB2 MET 110 14.990 -5.380 4.280 898 HB3 MET 110 HB1 MET 110 14.356 -4.989 5.869 899 HG2 MET 110 HG2 MET 110 16.920 -3.761 5.007 900 HG3 MET 110 HG1 MET 110 15.408 -3.147 4.343 901 HE1 MET 110 HE1 MET 110 15.870 -0.759 5.318 902 HE2 MET 110 HE2 MET 110 17.411 -1.316 5.973 903 HE3 MET 110 HE3 MET 110 16.280 -0.438 7.003 904 HA PRO 111 HA PRO 111 18.308 -5.184 9.328 905 HB2 PRO 111 HB2 PRO 111 20.896 -4.774 8.755 906 HB3 PRO 111 HB1 PRO 111 20.215 -6.396 8.918 907 HG2 PRO 111 HG2 PRO 111 20.984 -4.907 6.469 908 HG3 PRO 111 HG1 PRO 111 21.007 -6.649 6.781 909 HD2 PRO 111 HD2 PRO 111 19.041 -5.218 5.357 910 HD3 PRO 111 HD1 PRO 111 18.924 -6.904 5.927 911 H ASP 112 HN ASP 112 18.666 -3.271 10.314 912 HA ASP 112 HA ASP 112 18.450 -0.882 8.658 913 HB2 ASP 112 HB2 ASP 112 18.156 -1.316 11.637 914 HB3 ASP 112 HB1 ASP 112 18.110 0.272 10.888 915 H1 HIS 281 HT1 HIS 281 -27.023 2.061 7.883 916 H2 HIS 281 HT2 HIS 281 -26.513 2.818 9.302 917 H3 HIS 281 HT3 HIS 281 -27.694 1.613 9.369 918 HA HIS 281 HA HIS 281 -25.538 0.830 10.114 919 HB2 HIS 281 HB2 HIS 281 -25.462 -1.210 8.742 920 HB3 HIS 281 HB1 HIS 281 -27.106 -0.779 9.165 921 HD1 HIS 281 HD1 HIS 281 -25.006 -1.669 6.343 922 HD2 HIS 281 HD2 HIS 281 -28.550 0.433 6.896 923 HE1 HIS 281 HE1 HIS 281 -26.114 -1.599 4.088 924 HE2 HIS 281 HE2 HIS 281 -28.322 -0.459 4.482 925 H ASN 282 HN ASN 282 -24.083 2.649 9.763 926 HA ASN 282 HA ASN 282 -22.084 3.463 9.073 927 HB2 ASN 282 HB2 ASN 282 -21.479 0.999 9.018 928 HB3 ASN 282 HB1 ASN 282 -21.820 1.032 7.293 929 HD21 ASN 282 HD21 ASN 282 -19.337 0.427 8.616 930 HD22 ASN 282 HD22 ASN 282 -18.179 1.575 8.048 931 H LEU 283 HN LEU 283 -22.407 5.267 7.956 932 HA LEU 283 HA LEU 283 -23.821 5.252 5.444 933 HB2 LEU 283 HB2 LEU 283 -22.557 7.479 7.035 934 HB3 LEU 283 HB1 LEU 283 -23.425 7.728 5.534 935 HG LEU 283 HG LEU 283 -24.618 6.578 8.059 936 HD11 LEU 283 HD11 LEU 283 -24.076 8.938 8.306 937 HD12 LEU 283 HD12 LEU 283 -25.820 8.706 8.194 938 HD13 LEU 283 HD13 LEU 283 -24.918 9.302 6.800 939 HD21 LEU 283 HD21 LEU 283 -26.758 6.895 6.873 940 HD22 LEU 283 HD22 LEU 283 -25.717 5.708 6.088 941 HD23 LEU 283 HD23 LEU 283 -25.863 7.332 5.417 942 H LEU 284 HN LEU 284 -20.712 4.532 6.122 943 HA LEU 284 HA LEU 284 -19.495 6.018 3.952 944 HB2 LEU 284 HB2 LEU 284 -18.267 5.464 6.065 945 HB3 LEU 284 HB1 LEU 284 -18.312 3.777 5.592 946 HG LEU 284 HG LEU 284 -16.944 4.242 3.640 947 HD11 LEU 284 HD11 LEU 284 -17.229 7.089 4.540 948 HD12 LEU 284 HD12 LEU 284 -17.657 6.387 2.979 949 HD13 LEU 284 HD13 LEU 284 -15.962 6.558 3.434 950 HD21 LEU 284 HD21 LEU 284 -15.762 3.774 5.703 951 HD22 LEU 284 HD22 LEU 284 -15.817 5.474 6.152 952 HD23 LEU 284 HD23 LEU 284 -14.873 4.957 4.755 953 H ARG 285 HN ARG 285 -18.780 5.152 2.033 954 HA ARG 285 HA ARG 285 -20.338 2.932 1.059 955 HB2 ARG 285 HB2 ARG 285 -18.333 4.763 -0.266 956 HB3 ARG 285 HB1 ARG 285 -19.119 3.439 -1.109 957 HG2 ARG 285 HG2 ARG 285 -20.325 5.358 -1.684 958 HG3 ARG 285 HG1 ARG 285 -21.318 4.531 -0.486 959 HD2 ARG 285 HD2 ARG 285 -20.507 6.049 1.243 960 HD3 ARG 285 HD1 ARG 285 -19.476 6.856 0.061 961 HE ARG 285 HE ARG 285 -22.335 6.796 -0.499 962 HH11 ARG 285 HH11 ARG 285 -19.592 8.608 0.724 963 HH12 ARG 285 HH12 ARG 285 -20.378 10.150 0.533 964 HH21 ARG 285 HH21 ARG 285 -23.362 8.819 -0.735 965 HH22 ARG 285 HH22 ARG 285 -22.517 10.268 -0.298 966 H ILE 286 HN ILE 286 -19.426 1.081 0.006 967 HA ILE 286 HA ILE 286 -16.773 0.383 1.043 968 HB ILE 286 HB ILE 286 -17.324 -1.959 0.631 969 HG12 ILE 286 HG12 ILE 286 -20.047 -0.932 -0.206 970 HG13 ILE 286 HG11 ILE 286 -18.862 -1.716 -1.243 971 HG21 ILE 286 HG21 ILE 286 -17.767 -1.093 2.808 972 HG22 ILE 286 HG22 ILE 286 -19.065 -2.205 2.377 973 HG23 ILE 286 HG23 ILE 286 -19.332 -0.463 2.298 974 HD11 ILE 286 HD11 ILE 286 -20.217 -3.008 1.100 975 HD12 ILE 286 HD12 ILE 286 -19.098 -3.778 -0.023 976 HD13 ILE 286 HD13 ILE 286 -20.672 -3.217 -0.589 977 HH31 ALY 287 HH1 ALY 287 -6.626 0.860 -1.684 978 HH32 ALY 287 HH2 ALY 287 -6.553 1.671 -0.118 979 HH33 ALY 287 HH3 ALY 287 -6.663 -0.088 -0.196 980 HZ ALY 287 HZ1 ALY 287 -8.671 0.256 -2.499 981 HE3 ALY 287 HE2 ALY 287 -10.940 1.652 -1.890 982 HE2 ALY 287 HE1 ALY 287 -11.062 0.158 -0.961 983 HD3 ALY 287 HD2 ALY 287 -10.963 -1.170 -2.932 984 HD2 ALY 287 HD1 ALY 287 -10.533 0.222 -3.924 985 HG3 ALY 287 HG2 ALY 287 -12.866 -0.392 -4.243 986 HG2 ALY 287 HG1 ALY 287 -12.727 1.206 -3.511 987 HB3 ALY 287 HB2 ALY 287 -13.137 0.192 -1.301 988 HB2 ALY 287 HB1 ALY 287 -13.342 -1.372 -2.089 989 HCA ALY 287 HA ALY 287 -15.050 0.919 -2.954 990 H ALY 287 HN ALY 287 -15.123 0.173 -0.324 991 H GLN 288 HN GLN 288 -15.713 0.062 -4.843 992 HA GLN 288 HA GLN 288 -17.162 -2.414 -4.779 993 HB2 GLN 288 HB2 GLN 288 -17.934 -0.443 -6.088 994 HB3 GLN 288 HB1 GLN 288 -16.554 -0.652 -7.159 995 HG2 GLN 288 HG2 GLN 288 -18.654 -1.590 -8.055 996 HG3 GLN 288 HG1 GLN 288 -17.366 -2.782 -7.893 997 HE21 GLN 288 HE21 GLN 288 -20.447 -1.708 -6.715 998 HE22 GLN 288 HE22 GLN 288 -20.806 -3.119 -5.782 999 H PHE 289 HN PHE 289 -15.015 -3.397 -4.072 1000 HA PHE 289 HA PHE 289 -13.545 -4.400 -6.402 1001 HB2 PHE 289 HB2 PHE 289 -12.943 -4.281 -3.469 1002 HB3 PHE 289 HB1 PHE 289 -12.172 -5.523 -4.448 1003 HD1 PHE 289 HD1 PHE 289 -12.827 -2.574 -6.312 1004 HD2 PHE 289 HD2 PHE 289 -10.080 -4.297 -3.550 1005 HE1 PHE 289 HE1 PHE 289 -11.106 -0.971 -7.029 1006 HE2 PHE 289 HE2 PHE 289 -8.363 -2.691 -4.265 1007 HZ PHE 289 HZ PHE 289 -8.870 -1.029 -6.005 1008 H LEU 290 HN LEU 290 -16.325 -5.039 -5.492 1009 HA LEU 290 HA LEU 290 -16.072 -7.927 -5.083 1010 HB2 LEU 290 HB2 LEU 290 -18.514 -6.140 -5.077 1011 HB3 LEU 290 HB1 LEU 290 -18.554 -7.874 -4.838 1012 HG LEU 290 HG LEU 290 -17.031 -7.445 -2.807 1013 HD11 LEU 290 HD11 LEU 290 -16.425 -5.145 -3.331 1014 HD12 LEU 290 HD12 LEU 290 -17.256 -5.244 -1.779 1015 HD13 LEU 290 HD13 LEU 290 -18.116 -4.661 -3.204 1016 HD21 LEU 290 HD21 LEU 290 -19.886 -6.481 -2.816 1017 HD22 LEU 290 HD22 LEU 290 -18.965 -6.949 -1.386 1018 HD23 LEU 290 HD23 LEU 290 -19.345 -8.148 -2.623 1019 H GLN 291 HN GLN 291 -15.664 -6.072 -7.529 1020 HA GLN 291 HA GLN 291 -17.531 -6.793 -9.507 1021 HB2 GLN 291 HB2 GLN 291 -15.809 -6.032 -11.104 1022 HB3 GLN 291 HB1 GLN 291 -16.033 -4.891 -9.785 1023 HG2 GLN 291 HG2 GLN 291 -14.032 -5.752 -8.690 1024 HG3 GLN 291 HG1 GLN 291 -13.810 -6.911 -10.000 1025 HE21 GLN 291 HE21 GLN 291 -11.795 -6.096 -10.523 1026 HE22 GLN 291 HE22 GLN 291 -11.591 -4.576 -11.322 1027 H SER 292 HN SER 292 -17.212 -8.241 -11.306 1028 HA SER 292 HA SER 292 -15.242 -10.354 -10.932 1029 HB2 SER 292 HB2 SER 292 -18.213 -10.882 -11.199 1030 HB3 SER 292 HB1 SER 292 -16.953 -12.117 -11.241 1031 HG SER 292 HG SER 292 -16.914 -10.390 -9.066 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 21.637 12.569 -3.271 2 H2 GLY 1 HT2 GLY 1 20.251 13.416 -2.814 3 H3 GLY 1 HT3 GLY 1 20.269 12.549 -4.264 4 HA2 GLY 1 HA1 GLY 1 20.453 11.378 -1.546 5 HA3 GLY 1 HA2 GLY 1 19.022 11.369 -2.567 6 H LYS 2 HN LYS 2 21.888 9.768 -1.747 7 HA LYS 2 HA LYS 2 21.907 8.156 -4.191 8 HB2 LYS 2 HB2 LYS 2 23.754 8.115 -1.795 9 HB3 LYS 2 HB1 LYS 2 23.971 7.186 -3.272 10 HG2 LYS 2 HG2 LYS 2 23.913 10.189 -3.142 11 HG3 LYS 2 HG1 LYS 2 25.382 9.211 -3.155 12 HD2 LYS 2 HD2 LYS 2 23.344 8.830 -5.300 13 HD3 LYS 2 HD1 LYS 2 24.429 10.207 -5.380 14 HE2 LYS 2 HE2 LYS 2 26.352 8.674 -5.230 15 HE3 LYS 2 HE1 LYS 2 25.239 7.308 -5.192 16 HZ1 LYS 2 HZ1 LYS 2 24.455 7.949 -7.391 17 HZ2 LYS 2 HZ2 LYS 2 26.117 7.650 -7.405 18 HZ3 LYS 2 HZ3 LYS 2 25.545 9.241 -7.428 19 H LEU 3 HN LEU 3 21.089 6.067 -4.228 20 HA LEU 3 HA LEU 3 19.538 5.191 -2.000 21 HB2 LEU 3 HB2 LEU 3 20.377 3.625 -4.449 22 HB3 LEU 3 HB1 LEU 3 19.233 3.085 -3.235 23 HG LEU 3 HG LEU 3 18.820 5.446 -5.070 24 HD11 LEU 3 HD11 LEU 3 17.553 2.697 -5.060 25 HD12 LEU 3 HD12 LEU 3 18.749 3.277 -6.226 26 HD13 LEU 3 HD13 LEU 3 17.157 4.032 -6.150 27 HD21 LEU 3 HD21 LEU 3 17.706 5.696 -2.892 28 HD22 LEU 3 HD22 LEU 3 16.947 4.122 -3.108 29 HD23 LEU 3 HD23 LEU 3 16.549 5.450 -4.197 30 H SER 4 HN SER 4 20.741 4.860 -0.215 31 HA SER 4 HA SER 4 23.111 3.279 -0.180 32 HB2 SER 4 HB2 SER 4 21.273 4.059 2.098 33 HB3 SER 4 HB1 SER 4 22.917 3.441 2.259 34 HG SER 4 HG SER 4 23.136 5.456 0.645 35 H GLU 5 HN GLU 5 22.981 1.347 1.615 36 HA GLU 5 HA GLU 5 21.753 -0.782 0.361 37 HB2 GLU 5 HB2 GLU 5 22.691 -0.393 3.183 38 HB3 GLU 5 HB1 GLU 5 21.904 -1.889 2.708 39 HG2 GLU 5 HG2 GLU 5 24.324 -2.089 2.621 40 HG3 GLU 5 HG1 GLU 5 23.611 -2.276 1.022 41 H GLN 6 HN GLN 6 20.520 1.152 3.044 42 HA GLN 6 HA GLN 6 18.163 -0.275 3.513 43 HB2 GLN 6 HB2 GLN 6 18.823 2.642 3.934 44 HB3 GLN 6 HB1 GLN 6 17.313 1.915 4.461 45 HG2 GLN 6 HG2 GLN 6 19.130 2.199 6.197 46 HG3 GLN 6 HG1 GLN 6 18.365 0.618 6.089 47 HE21 GLN 6 HE21 GLN 6 19.579 -1.140 5.491 48 HE22 GLN 6 HE22 GLN 6 21.293 -1.081 5.310 49 H LEU 7 HN LEU 7 18.748 2.538 1.388 50 HA LEU 7 HA LEU 7 16.013 2.545 0.503 51 HB2 LEU 7 HB2 LEU 7 18.414 4.119 -0.417 52 HB3 LEU 7 HB1 LEU 7 16.815 4.319 -1.102 53 HG LEU 7 HG LEU 7 17.497 4.787 1.791 54 HD11 LEU 7 HD11 LEU 7 18.599 6.401 0.335 55 HD12 LEU 7 HD12 LEU 7 17.302 7.157 1.257 56 HD13 LEU 7 HD13 LEU 7 17.058 6.756 -0.443 57 HD21 LEU 7 HD21 LEU 7 15.232 4.359 1.828 58 HD22 LEU 7 HD22 LEU 7 14.988 4.977 0.193 59 HD23 LEU 7 HD23 LEU 7 15.253 6.098 1.528 60 H LYS 8 HN LYS 8 18.812 0.860 -0.442 61 HA LYS 8 HA LYS 8 17.804 0.331 -3.103 62 HB2 LYS 8 HB2 LYS 8 20.231 0.391 -2.683 63 HB3 LYS 8 HB1 LYS 8 20.058 -0.956 -1.573 64 HG2 LYS 8 HG2 LYS 8 20.914 -1.652 -3.758 65 HG3 LYS 8 HG1 LYS 8 19.369 -2.409 -3.377 66 HD2 LYS 8 HD2 LYS 8 19.411 -1.689 -5.697 67 HD3 LYS 8 HD1 LYS 8 18.226 -0.757 -4.789 68 HE2 LYS 8 HE2 LYS 8 19.461 0.704 -6.267 69 HE3 LYS 8 HE1 LYS 8 19.857 1.082 -4.593 70 HZ1 LYS 8 HZ1 LYS 8 21.891 -0.237 -4.845 71 HZ2 LYS 8 HZ2 LYS 8 21.841 1.046 -5.943 72 HZ3 LYS 8 HZ3 LYS 8 21.511 -0.526 -6.467 73 H HIS 9 HN HIS 9 17.877 -1.124 0.062 74 HA HIS 9 HA HIS 9 16.674 -3.577 -0.721 75 HB2 HIS 9 HB2 HIS 9 17.924 -2.866 1.523 76 HB3 HIS 9 HB1 HIS 9 16.278 -2.510 2.037 77 HD1 HIS 9 HD1 HIS 9 18.643 -5.168 2.014 78 HD2 HIS 9 HD2 HIS 9 14.527 -4.922 1.524 79 HE1 HIS 9 HE1 HIS 9 17.774 -7.485 2.434 80 HE2 HIS 9 HE2 HIS 9 15.315 -7.351 1.918 81 H CYS 10 HN CYS 10 15.459 -0.430 0.337 82 HA CYS 10 HA CYS 10 12.745 -1.233 0.549 83 HB2 CYS 10 HB2 CYS 10 12.191 1.117 0.574 84 HB3 CYS 10 HB1 CYS 10 13.684 0.908 1.502 85 HG CYS 10 HG CYS 10 13.474 3.271 -0.246 86 H ASN 11 HN ASN 11 14.721 0.060 -2.085 87 HA ASN 11 HA ASN 11 12.760 0.242 -4.059 88 HB2 ASN 11 HB2 ASN 11 15.113 1.029 -4.344 89 HB3 ASN 11 HB1 ASN 11 15.636 -0.652 -4.399 90 HD21 ASN 11 HD21 ASN 11 14.051 1.905 -6.102 91 HD22 ASN 11 HD22 ASN 11 14.007 1.128 -7.645 92 H GLY 12 HN GLY 12 14.641 -2.527 -2.930 93 HA2 GLY 12 HA2 GLY 12 13.716 -4.343 -4.926 94 HA3 GLY 12 HA1 GLY 12 14.548 -4.772 -3.437 95 H ILE 13 HN ILE 13 12.751 -3.724 -1.577 96 HA ILE 13 HA ILE 13 10.818 -5.752 -1.372 97 HB ILE 13 HB ILE 13 11.000 -3.080 -0.010 98 HG12 ILE 13 HG12 ILE 13 11.603 -5.848 1.027 99 HG13 ILE 13 HG11 ILE 13 12.827 -4.740 0.430 100 HG21 ILE 13 HG21 ILE 13 8.987 -5.204 0.217 101 HG22 ILE 13 HG22 ILE 13 8.800 -3.462 0.359 102 HG23 ILE 13 HG23 ILE 13 9.487 -4.393 1.693 103 HD11 ILE 13 HD11 ILE 13 11.174 -4.578 2.915 104 HD12 ILE 13 HD12 ILE 13 11.950 -3.145 2.242 105 HD13 ILE 13 HD13 ILE 13 12.927 -4.526 2.739 106 H LEU 14 HN LEU 14 10.467 -2.325 -2.220 107 HA LEU 14 HA LEU 14 7.768 -2.217 -2.788 108 HB2 LEU 14 HB2 LEU 14 9.844 -0.483 -2.944 109 HB3 LEU 14 HB1 LEU 14 9.578 -0.801 -4.641 110 HG LEU 14 HG LEU 14 7.427 0.140 -2.771 111 HD11 LEU 14 HD11 LEU 14 9.369 1.607 -4.522 112 HD12 LEU 14 HD12 LEU 14 9.076 1.829 -2.794 113 HD13 LEU 14 HD13 LEU 14 7.856 2.330 -3.968 114 HD21 LEU 14 HD21 LEU 14 6.809 -1.042 -4.968 115 HD22 LEU 14 HD22 LEU 14 7.550 0.348 -5.772 116 HD23 LEU 14 HD23 LEU 14 6.160 0.586 -4.716 117 H LYS 15 HN LYS 15 10.449 -2.986 -4.963 118 HA LYS 15 HA LYS 15 9.047 -3.316 -7.314 119 HB2 LYS 15 HB2 LYS 15 11.306 -3.204 -7.635 120 HB3 LYS 15 HB1 LYS 15 11.662 -4.150 -6.198 121 HG2 LYS 15 HG2 LYS 15 12.305 -5.535 -7.926 122 HG3 LYS 15 HG1 LYS 15 10.704 -6.102 -7.493 123 HD2 LYS 15 HD2 LYS 15 9.723 -5.168 -9.394 124 HD3 LYS 15 HD1 LYS 15 11.105 -4.105 -9.689 125 HE2 LYS 15 HE2 LYS 15 12.462 -5.913 -10.376 126 HE3 LYS 15 HE1 LYS 15 11.296 -7.095 -9.795 127 HZ1 LYS 15 HZ1 LYS 15 11.206 -6.891 -12.194 128 HZ2 LYS 15 HZ2 LYS 15 10.905 -5.233 -12.076 129 HZ3 LYS 15 HZ3 LYS 15 9.758 -6.341 -11.517 130 H GLU 16 HN GLU 16 9.690 -5.531 -4.700 131 HA GLU 16 HA GLU 16 8.784 -7.854 -6.057 132 HB2 GLU 16 HB2 GLU 16 10.274 -8.078 -4.130 133 HB3 GLU 16 HB1 GLU 16 9.071 -7.334 -3.083 134 HG2 GLU 16 HG2 GLU 16 7.585 -9.347 -3.907 135 HG3 GLU 16 HG1 GLU 16 9.146 -10.084 -4.230 136 H LEU 17 HN LEU 17 7.282 -5.681 -3.701 137 HA LEU 17 HA LEU 17 4.762 -6.968 -3.598 138 HB2 LEU 17 HB2 LEU 17 5.422 -4.039 -3.200 139 HB3 LEU 17 HB1 LEU 17 3.942 -4.821 -2.697 140 HG LEU 17 HG LEU 17 6.592 -5.741 -1.628 141 HD11 LEU 17 HD11 LEU 17 6.391 -3.314 -1.279 142 HD12 LEU 17 HD12 LEU 17 6.335 -4.224 0.227 143 HD13 LEU 17 HD13 LEU 17 4.850 -3.573 -0.468 144 HD21 LEU 17 HD21 LEU 17 4.641 -7.171 -1.242 145 HD22 LEU 17 HD22 LEU 17 3.778 -5.808 -0.538 146 HD23 LEU 17 HD23 LEU 17 5.211 -6.452 0.258 147 H LEU 18 HN LEU 18 6.259 -4.938 -5.938 148 HA LEU 18 HA LEU 18 3.790 -4.385 -7.372 149 HB2 LEU 18 HB2 LEU 18 6.672 -3.705 -7.883 150 HB3 LEU 18 HB1 LEU 18 5.394 -3.330 -9.016 151 HG LEU 18 HG LEU 18 5.602 -2.290 -6.197 152 HD11 LEU 18 HD11 LEU 18 7.270 -1.269 -7.501 153 HD12 LEU 18 HD12 LEU 18 5.931 -0.120 -7.426 154 HD13 LEU 18 HD13 LEU 18 6.189 -1.082 -8.883 155 HD21 LEU 18 HD21 LEU 18 3.659 -1.107 -6.532 156 HD22 LEU 18 HD22 LEU 18 3.274 -2.641 -7.298 157 HD23 LEU 18 HD23 LEU 18 3.731 -1.253 -8.283 158 H SER 19 HN SER 19 6.110 -6.835 -7.265 159 HA SER 19 HA SER 19 6.213 -7.560 -10.005 160 HB2 SER 19 HB2 SER 19 6.737 -9.222 -7.531 161 HB3 SER 19 HB1 SER 19 7.158 -9.691 -9.178 162 HG SER 19 HG SER 19 8.058 -7.223 -8.164 163 H LYS 20 HN LYS 20 5.198 -9.211 -11.100 164 HA LYS 20 HA LYS 20 2.446 -9.415 -10.701 165 HB2 LYS 20 HB2 LYS 20 4.340 -10.908 -12.499 166 HB3 LYS 20 HB1 LYS 20 2.601 -11.203 -12.509 167 HG2 LYS 20 HG2 LYS 20 3.751 -8.460 -12.861 168 HG3 LYS 20 HG1 LYS 20 3.485 -9.551 -14.224 169 HD2 LYS 20 HD2 LYS 20 1.139 -9.602 -13.813 170 HD3 LYS 20 HD1 LYS 20 1.326 -8.791 -12.265 171 HE2 LYS 20 HE2 LYS 20 0.465 -7.251 -13.924 172 HE3 LYS 20 HE1 LYS 20 2.082 -6.763 -13.427 173 HZ1 LYS 20 HZ1 LYS 20 2.964 -7.748 -15.442 174 HZ2 LYS 20 HZ2 LYS 20 1.781 -6.604 -15.819 175 HZ3 LYS 20 HZ3 LYS 20 1.418 -8.252 -15.907 176 H LYS 21 HN LYS 21 5.000 -11.297 -9.411 177 HA LYS 21 HA LYS 21 3.697 -13.659 -8.724 178 HB2 LYS 21 HB2 LYS 21 6.040 -13.448 -8.300 179 HB3 LYS 21 HB1 LYS 21 5.798 -12.045 -7.281 180 HG2 LYS 21 HG2 LYS 21 4.661 -13.451 -5.628 181 HG3 LYS 21 HG1 LYS 21 4.964 -14.867 -6.628 182 HD2 LYS 21 HD2 LYS 21 7.425 -14.268 -6.476 183 HD3 LYS 21 HD1 LYS 21 6.956 -13.137 -5.202 184 HE2 LYS 21 HE2 LYS 21 5.780 -15.098 -4.116 185 HE3 LYS 21 HE1 LYS 21 6.653 -16.122 -5.250 186 HZ1 LYS 21 HZ1 LYS 21 7.905 -14.282 -3.283 187 HZ2 LYS 21 HZ2 LYS 21 8.736 -15.256 -4.384 188 HZ3 LYS 21 HZ3 LYS 21 7.826 -15.967 -3.151 189 H HIS 22 HN HIS 22 3.516 -10.452 -7.272 190 HA HIS 22 HA HIS 22 1.696 -11.517 -5.211 191 HB2 HIS 22 HB2 HIS 22 3.217 -8.884 -5.257 192 HB3 HIS 22 HB1 HIS 22 2.149 -9.423 -3.952 193 HD1 HIS 22 HD1 HIS 22 3.034 -11.323 -2.391 194 HD2 HIS 22 HD2 HIS 22 5.748 -10.048 -5.287 195 HE1 HIS 22 HE1 HIS 22 5.248 -12.275 -1.686 196 HE2 HIS 22 HE2 HIS 22 6.910 -11.297 -3.320 197 H ALA 23 HN ALA 23 1.780 -9.777 -8.083 198 HA ALA 23 HA ALA 23 0.045 -7.677 -7.819 199 HB1 ALA 23 HB1 ALA 23 1.343 -8.220 -9.811 200 HB2 ALA 23 HB2 ALA 23 -0.341 -7.849 -10.187 201 HB3 ALA 23 HB3 ALA 23 0.216 -9.525 -10.183 202 H ALA 24 HN ALA 24 -0.778 -11.070 -8.103 203 HA ALA 24 HA ALA 24 -3.476 -10.954 -8.687 204 HB1 ALA 24 HB1 ALA 24 -1.854 -12.858 -7.031 205 HB2 ALA 24 HB2 ALA 24 -2.451 -13.062 -8.679 206 HB3 ALA 24 HB3 ALA 24 -3.577 -13.109 -7.322 207 H TYR 25 HN TYR 25 -1.844 -10.176 -5.712 208 HA TYR 25 HA TYR 25 -4.406 -9.349 -4.561 209 HB2 TYR 25 HB2 TYR 25 -3.481 -10.181 -2.298 210 HB3 TYR 25 HB1 TYR 25 -4.124 -11.374 -3.423 211 HD1 TYR 25 HD1 TYR 25 -0.916 -9.869 -2.264 212 HD2 TYR 25 HD2 TYR 25 -2.860 -13.197 -4.057 213 HE1 TYR 25 HE1 TYR 25 1.165 -11.173 -2.108 214 HE2 TYR 25 HE2 TYR 25 -0.780 -14.494 -3.929 215 HH TYR 25 HH TYR 25 1.590 -14.150 -3.745 216 H ALA 26 HN ALA 26 -1.904 -8.120 -5.808 217 HA ALA 26 HA ALA 26 -1.305 -6.233 -3.622 218 HB1 ALA 26 HB1 ALA 26 0.690 -7.456 -4.396 219 HB2 ALA 26 HB2 ALA 26 0.799 -5.731 -4.752 220 HB3 ALA 26 HB3 ALA 26 0.396 -6.868 -6.034 221 H TRP 27 HN TRP 27 -2.858 -6.586 -6.619 222 HA TRP 27 HA TRP 27 -2.322 -4.174 -7.868 223 HB2 TRP 27 HB2 TRP 27 -4.465 -4.447 -9.082 224 HB3 TRP 27 HB1 TRP 27 -3.476 -5.897 -9.082 225 HD1 TRP 27 HD1 TRP 27 -4.443 -8.038 -7.839 226 HE1 TRP 27 HE1 TRP 27 -6.803 -8.652 -7.029 227 HE3 TRP 27 HE3 TRP 27 -6.621 -3.405 -8.049 228 HZ2 TRP 27 HZ2 TRP 27 -9.264 -7.359 -6.558 229 HZ3 TRP 27 HZ3 TRP 27 -8.984 -3.191 -7.412 230 HH2 TRP 27 HH2 TRP 27 -10.277 -5.127 -6.678 231 HA PRO 28 HA PRO 28 -6.139 -2.268 -5.324 232 HB2 PRO 28 HB2 PRO 28 -5.516 -2.835 -2.623 233 HB3 PRO 28 HB1 PRO 28 -6.962 -3.331 -3.499 234 HG2 PRO 28 HG2 PRO 28 -4.551 -4.866 -2.807 235 HG3 PRO 28 HG1 PRO 28 -6.173 -5.445 -3.223 236 HD2 PRO 28 HD2 PRO 28 -4.002 -5.670 -4.876 237 HD3 PRO 28 HD1 PRO 28 -5.675 -5.606 -5.454 238 H PHE 29 HN PHE 29 -2.776 -2.700 -4.658 239 HA PHE 29 HA PHE 29 -2.681 -0.063 -3.334 240 HB2 PHE 29 HB2 PHE 29 -0.425 -1.999 -3.084 241 HB3 PHE 29 HB1 PHE 29 -0.979 -0.763 -1.953 242 HD1 PHE 29 HD1 PHE 29 -0.831 -4.196 -2.584 243 HD2 PHE 29 HD2 PHE 29 -3.413 -1.206 -0.988 244 HE1 PHE 29 HE1 PHE 29 -2.051 -5.917 -1.335 245 HE2 PHE 29 HE2 PHE 29 -4.638 -2.936 0.261 246 HZ PHE 29 HZ PHE 29 -3.954 -5.290 0.084 247 H TYR 30 HN TYR 30 -1.836 -1.670 -6.171 248 HA TYR 30 HA TYR 30 0.589 -0.483 -6.875 249 HB2 TYR 30 HB2 TYR 30 -1.786 -1.335 -8.519 250 HB3 TYR 30 HB1 TYR 30 -0.380 -0.594 -9.274 251 HD1 TYR 30 HD1 TYR 30 0.405 -2.510 -6.388 252 HD2 TYR 30 HD2 TYR 30 -0.326 -2.822 -10.553 253 HE1 TYR 30 HE1 TYR 30 1.543 -4.679 -6.406 254 HE2 TYR 30 HE2 TYR 30 0.804 -5.007 -10.590 255 HH TYR 30 HH TYR 30 1.806 -6.593 -7.634 256 H LYS 31 HN LYS 31 -2.703 0.750 -7.539 257 HA LYS 31 HA LYS 31 -1.614 3.461 -7.614 258 HB2 LYS 31 HB2 LYS 31 -3.169 2.078 -9.782 259 HB3 LYS 31 HB1 LYS 31 -3.118 3.835 -9.662 260 HG2 LYS 31 HG2 LYS 31 -0.668 3.754 -9.836 261 HG3 LYS 31 HG1 LYS 31 -0.755 2.004 -10.012 262 HD2 LYS 31 HD2 LYS 31 -2.133 2.321 -12.045 263 HD3 LYS 31 HD1 LYS 31 -1.919 4.064 -11.881 264 HE2 LYS 31 HE2 LYS 31 0.275 2.031 -12.267 265 HE3 LYS 31 HE1 LYS 31 -0.348 3.126 -13.497 266 HZ1 LYS 31 HZ1 LYS 31 0.983 3.981 -10.982 267 HZ2 LYS 31 HZ2 LYS 31 0.456 4.996 -12.227 268 HZ3 LYS 31 HZ3 LYS 31 1.726 3.912 -12.498 269 HA PRO 32 HA PRO 32 -4.974 4.883 -5.230 270 HB2 PRO 32 HB2 PRO 32 -6.047 6.861 -6.916 271 HB3 PRO 32 HB1 PRO 32 -4.767 7.095 -5.723 272 HG2 PRO 32 HG2 PRO 32 -4.561 6.629 -8.661 273 HG3 PRO 32 HG1 PRO 32 -3.579 7.672 -7.615 274 HD2 PRO 32 HD2 PRO 32 -2.622 5.350 -8.470 275 HD3 PRO 32 HD1 PRO 32 -2.329 5.876 -6.800 276 H VAL 33 HN VAL 33 -6.991 4.250 -4.859 277 HA VAL 33 HA VAL 33 -8.384 2.595 -6.630 278 HB VAL 33 HB VAL 33 -9.967 2.314 -4.991 279 HG11 VAL 33 HG11 VAL 33 -7.822 1.865 -3.995 280 HG12 VAL 33 HG12 VAL 33 -8.944 2.479 -2.786 281 HG13 VAL 33 HG13 VAL 33 -7.697 3.535 -3.448 282 HG21 VAL 33 HG21 VAL 33 -11.241 4.127 -4.638 283 HG22 VAL 33 HG22 VAL 33 -9.860 5.232 -4.706 284 HG23 VAL 33 HG23 VAL 33 -10.206 4.345 -3.221 285 H ASP 34 HN ASP 34 -10.295 2.925 -7.805 286 HA ASP 34 HA ASP 34 -10.458 5.595 -8.950 287 HB2 ASP 34 HB2 ASP 34 -11.970 3.067 -9.682 288 HB3 ASP 34 HB1 ASP 34 -12.003 4.578 -10.578 289 H ALA 35 HN ALA 35 -11.171 6.261 -6.716 290 HA ALA 35 HA ALA 35 -13.395 5.354 -5.394 291 HB1 ALA 35 HB1 ALA 35 -12.977 7.000 -3.922 292 HB2 ALA 35 HB2 ALA 35 -12.965 8.249 -5.173 293 HB3 ALA 35 HB3 ALA 35 -11.536 7.250 -4.913 294 H SER 36 HN SER 36 -13.286 7.948 -7.813 295 HA SER 36 HA SER 36 -15.989 8.684 -7.606 296 HB2 SER 36 HB2 SER 36 -14.150 8.884 -9.997 297 HB3 SER 36 HB1 SER 36 -15.645 9.791 -9.766 298 HG SER 36 HG SER 36 -13.268 10.509 -8.992 299 H ALA 37 HN ALA 37 -14.388 6.266 -9.649 300 HA ALA 37 HA ALA 37 -16.839 5.527 -10.977 301 HB1 ALA 37 HB1 ALA 37 -14.144 4.184 -10.914 302 HB2 ALA 37 HB2 ALA 37 -14.715 5.320 -12.135 303 HB3 ALA 37 HB3 ALA 37 -15.481 3.739 -11.974 304 H LEU 38 HN LEU 38 -15.331 4.792 -8.041 305 HA LEU 38 HA LEU 38 -16.605 2.204 -7.703 306 HB2 LEU 38 HB2 LEU 38 -14.786 3.876 -5.980 307 HB3 LEU 38 HB1 LEU 38 -15.507 2.382 -5.413 308 HG LEU 38 HG LEU 38 -13.850 2.437 -7.919 309 HD11 LEU 38 HD11 LEU 38 -12.866 2.264 -5.076 310 HD12 LEU 38 HD12 LEU 38 -12.362 3.383 -6.337 311 HD13 LEU 38 HD13 LEU 38 -11.949 1.675 -6.458 312 HD21 LEU 38 HD21 LEU 38 -14.415 0.290 -5.886 313 HD22 LEU 38 HD22 LEU 38 -13.499 0.102 -7.381 314 HD23 LEU 38 HD23 LEU 38 -15.224 0.462 -7.443 315 H GLY 39 HN GLY 39 -17.598 5.329 -7.498 316 HA2 GLY 39 HA2 GLY 39 -19.627 6.160 -6.732 317 HA3 GLY 39 HA1 GLY 39 -19.911 4.630 -5.915 318 H LEU 40 HN LEU 40 -16.882 5.748 -5.176 319 HA LEU 40 HA LEU 40 -17.721 6.426 -2.486 320 HB2 LEU 40 HB2 LEU 40 -14.883 6.340 -3.465 321 HB3 LEU 40 HB1 LEU 40 -15.507 6.012 -1.859 322 HG LEU 40 HG LEU 40 -15.705 4.237 -4.282 323 HD11 LEU 40 HD11 LEU 40 -13.626 3.834 -3.442 324 HD12 LEU 40 HD12 LEU 40 -14.568 2.702 -2.486 325 HD13 LEU 40 HD13 LEU 40 -14.086 4.245 -1.795 326 HD21 LEU 40 HD21 LEU 40 -16.945 3.881 -1.572 327 HD22 LEU 40 HD22 LEU 40 -16.827 2.621 -2.790 328 HD23 LEU 40 HD23 LEU 40 -17.790 4.064 -3.100 329 H HIS 41 HN HIS 41 -18.467 8.499 -2.453 330 HA HIS 41 HA HIS 41 -17.036 10.601 -3.873 331 HB2 HIS 41 HB2 HIS 41 -19.455 10.843 -2.059 332 HB3 HIS 41 HB1 HIS 41 -18.830 12.078 -3.138 333 HD1 HIS 41 HD1 HIS 41 -19.359 11.859 -5.647 334 HD2 HIS 41 HD2 HIS 41 -21.041 8.828 -3.329 335 HE1 HIS 41 HE1 HIS 41 -21.053 10.731 -7.117 336 HE2 HIS 41 HE2 HIS 41 -21.956 8.827 -5.739 337 H ASP 42 HN ASP 42 -16.986 9.172 -0.792 338 HA ASP 42 HA ASP 42 -15.853 11.599 0.424 339 HB2 ASP 42 HB2 ASP 42 -17.217 9.257 1.729 340 HB3 ASP 42 HB1 ASP 42 -16.454 10.571 2.612 341 H TYR 43 HN TYR 43 -14.382 9.596 -1.197 342 HA TYR 43 HA TYR 43 -12.960 7.853 0.526 343 HB2 TYR 43 HB2 TYR 43 -13.075 7.366 -1.831 344 HB3 TYR 43 HB1 TYR 43 -12.321 8.890 -2.250 345 HD1 TYR 43 HD1 TYR 43 -11.731 5.583 -0.747 346 HD2 TYR 43 HD2 TYR 43 -9.954 9.101 -2.323 347 HE1 TYR 43 HE1 TYR 43 -9.552 4.454 -0.777 348 HE2 TYR 43 HE2 TYR 43 -7.764 7.985 -2.358 349 HH TYR 43 HH TYR 43 -7.416 4.589 -1.735 350 H HIS 44 HN HIS 44 -12.307 11.136 -0.608 351 HA HIS 44 HA HIS 44 -9.684 11.134 0.623 352 HB2 HIS 44 HB2 HIS 44 -11.265 13.243 -0.830 353 HB3 HIS 44 HB1 HIS 44 -9.730 13.596 -0.044 354 HD1 HIS 44 HD1 HIS 44 -7.598 12.721 -1.157 355 HD2 HIS 44 HD2 HIS 44 -11.083 11.659 -3.159 356 HE1 HIS 44 HE1 HIS 44 -6.849 11.816 -3.380 357 HE2 HIS 44 HE2 HIS 44 -8.978 11.281 -4.618 358 H ASP 45 HN ASP 45 -12.755 11.438 1.778 359 HA ASP 45 HA ASP 45 -12.168 13.379 3.851 360 HB2 ASP 45 HB2 ASP 45 -14.548 11.604 3.304 361 HB3 ASP 45 HB1 ASP 45 -14.425 12.604 4.746 362 H ILE 46 HN ILE 46 -12.531 9.903 3.493 363 HA ILE 46 HA ILE 46 -11.912 9.419 6.276 364 HB ILE 46 HB ILE 46 -12.450 7.570 3.945 365 HG12 ILE 46 HG12 ILE 46 -14.294 6.806 5.422 366 HG13 ILE 46 HG11 ILE 46 -13.860 8.050 6.585 367 HG21 ILE 46 HG21 ILE 46 -10.963 6.193 5.020 368 HG22 ILE 46 HG22 ILE 46 -12.410 5.824 5.945 369 HG23 ILE 46 HG23 ILE 46 -11.219 6.952 6.584 370 HD11 ILE 46 HD11 ILE 46 -14.850 8.518 3.783 371 HD12 ILE 46 HD12 ILE 46 -14.401 9.769 4.937 372 HD13 ILE 46 HD13 ILE 46 -15.777 8.717 5.266 373 H ILE 47 HN ILE 47 -10.373 8.867 3.125 374 HA ILE 47 HA ILE 47 -7.913 8.017 4.395 375 HB ILE 47 HB ILE 47 -8.368 8.587 1.469 376 HG12 ILE 47 HG12 ILE 47 -9.975 6.892 2.406 377 HG13 ILE 47 HG11 ILE 47 -8.915 6.275 1.142 378 HG21 ILE 47 HG21 ILE 47 -6.513 6.771 1.391 379 HG22 ILE 47 HG22 ILE 47 -6.231 7.244 3.064 380 HG23 ILE 47 HG23 ILE 47 -6.085 8.435 1.772 381 HD11 ILE 47 HD11 ILE 47 -8.564 5.885 4.095 382 HD12 ILE 47 HD12 ILE 47 -7.511 5.247 2.833 383 HD13 ILE 47 HD13 ILE 47 -9.174 4.693 2.953 384 H LYS 48 HN LYS 48 -6.940 9.678 5.434 385 HA LYS 48 HA LYS 48 -6.760 12.278 4.167 386 HB2 LYS 48 HB2 LYS 48 -5.891 11.232 6.848 387 HB3 LYS 48 HB1 LYS 48 -5.498 12.851 6.292 388 HG2 LYS 48 HG2 LYS 48 -8.296 11.770 6.511 389 HG3 LYS 48 HG1 LYS 48 -7.500 12.743 7.750 390 HD2 LYS 48 HD2 LYS 48 -7.416 14.640 6.359 391 HD3 LYS 48 HD1 LYS 48 -7.751 13.690 4.914 392 HE2 LYS 48 HE2 LYS 48 -9.674 15.027 5.646 393 HE3 LYS 48 HE1 LYS 48 -9.981 13.295 5.600 394 HZ1 LYS 48 HZ1 LYS 48 -10.883 14.397 7.593 395 HZ2 LYS 48 HZ2 LYS 48 -9.315 14.820 8.059 396 HZ3 LYS 48 HZ3 LYS 48 -9.760 13.194 7.977 397 H HIS 49 HN HIS 49 -4.745 9.501 4.775 398 HA HIS 49 HA HIS 49 -2.552 10.855 3.338 399 HB2 HIS 49 HB2 HIS 49 -2.414 8.743 5.489 400 HB3 HIS 49 HB1 HIS 49 -1.038 9.186 4.485 401 HD1 HIS 49 HD1 HIS 49 -0.929 9.576 7.541 402 HD2 HIS 49 HD2 HIS 49 -2.106 12.538 4.860 403 HE1 HIS 49 HE1 HIS 49 -0.559 11.758 8.729 404 HE2 HIS 49 HE2 HIS 49 -1.411 13.518 7.148 405 HA PRO 50 HA PRO 50 -4.021 7.241 0.740 406 HB2 PRO 50 HB2 PRO 50 -4.269 8.626 -1.575 407 HB3 PRO 50 HB1 PRO 50 -5.584 8.494 -0.402 408 HG2 PRO 50 HG2 PRO 50 -3.630 10.725 -0.813 409 HG3 PRO 50 HG1 PRO 50 -5.384 10.810 -0.565 410 HD2 PRO 50 HD2 PRO 50 -3.635 11.262 1.446 411 HD3 PRO 50 HD1 PRO 50 -5.209 10.479 1.722 412 H MET 51 HN MET 51 -2.216 6.100 0.407 413 HA MET 51 HA MET 51 -0.199 7.251 -1.369 414 HB2 MET 51 HB2 MET 51 0.772 7.415 0.829 415 HB3 MET 51 HB1 MET 51 0.328 5.758 1.222 416 HG2 MET 51 HG2 MET 51 2.749 6.091 0.697 417 HG3 MET 51 HG1 MET 51 1.945 4.895 -0.328 418 HE1 MET 51 HE1 MET 51 3.025 8.603 -0.056 419 HE2 MET 51 HE2 MET 51 1.449 8.821 -0.809 420 HE3 MET 51 HE3 MET 51 2.921 9.187 -1.712 421 H ASP 52 HN ASP 52 0.890 5.776 -2.666 422 HA ASP 52 HA ASP 52 -0.314 3.099 -2.872 423 HB2 ASP 52 HB2 ASP 52 0.273 4.708 -5.348 424 HB3 ASP 52 HB1 ASP 52 -0.853 3.369 -5.140 425 H LEU 53 HN LEU 53 1.129 1.528 -3.845 426 HA LEU 53 HA LEU 53 3.827 1.913 -3.204 427 HB2 LEU 53 HB2 LEU 53 2.414 -0.142 -4.850 428 HB3 LEU 53 HB1 LEU 53 4.163 -0.150 -4.706 429 HG LEU 53 HG LEU 53 2.323 -0.207 -2.325 430 HD11 LEU 53 HD11 LEU 53 2.034 -2.141 -3.872 431 HD12 LEU 53 HD12 LEU 53 2.572 -2.568 -2.253 432 HD13 LEU 53 HD13 LEU 53 3.721 -2.548 -3.593 433 HD21 LEU 53 HD21 LEU 53 4.497 0.534 -1.751 434 HD22 LEU 53 HD22 LEU 53 5.257 -0.727 -2.716 435 HD23 LEU 53 HD23 LEU 53 4.372 -1.148 -1.249 436 H SER 54 HN SER 54 2.137 2.344 -6.252 437 HA SER 54 HA SER 54 4.440 2.740 -7.858 438 HB2 SER 54 HB2 SER 54 2.441 2.301 -9.030 439 HB3 SER 54 HB1 SER 54 1.562 3.583 -8.188 440 HG SER 54 HG SER 54 3.807 4.223 -9.759 441 H THR 55 HN THR 55 2.655 4.836 -5.711 442 HA THR 55 HA THR 55 3.927 7.256 -6.605 443 HB THR 55 HB THR 55 2.535 6.985 -3.953 444 HG1 THR 55 HG1 THR 55 0.573 6.956 -4.962 445 HG21 THR 55 HG21 THR 55 3.654 9.094 -4.745 446 HG22 THR 55 HG22 THR 55 1.950 9.255 -4.322 447 HG23 THR 55 HG23 THR 55 2.436 9.179 -6.017 448 H VAL 56 HN VAL 56 4.277 4.938 -3.985 449 HA VAL 56 HA VAL 56 6.273 6.240 -2.498 450 HB VAL 56 HB VAL 56 5.843 3.269 -2.912 451 HG11 VAL 56 HG11 VAL 56 8.101 3.735 -2.100 452 HG12 VAL 56 HG12 VAL 56 7.122 2.965 -0.849 453 HG13 VAL 56 HG13 VAL 56 7.433 4.700 -0.782 454 HG21 VAL 56 HG21 VAL 56 3.936 4.535 -1.925 455 HG22 VAL 56 HG22 VAL 56 4.998 5.004 -0.598 456 HG23 VAL 56 HG23 VAL 56 4.612 3.303 -0.860 457 H LYS 57 HN LYS 57 6.420 3.973 -5.189 458 HA LYS 57 HA LYS 57 9.213 3.856 -5.365 459 HB2 LYS 57 HB2 LYS 57 7.210 2.515 -6.563 460 HB3 LYS 57 HB1 LYS 57 7.731 3.555 -7.880 461 HG2 LYS 57 HG2 LYS 57 10.059 2.767 -7.484 462 HG3 LYS 57 HG1 LYS 57 9.413 1.612 -6.331 463 HD2 LYS 57 HD2 LYS 57 7.949 0.750 -8.190 464 HD3 LYS 57 HD1 LYS 57 8.923 1.736 -9.288 465 HE2 LYS 57 HE2 LYS 57 10.945 0.593 -8.478 466 HE3 LYS 57 HE1 LYS 57 9.934 -0.421 -7.445 467 HZ1 LYS 57 HZ1 LYS 57 9.712 -0.295 -10.406 468 HZ2 LYS 57 HZ2 LYS 57 8.914 -1.373 -9.378 469 HZ3 LYS 57 HZ3 LYS 57 10.591 -1.473 -9.572 470 H ARG 58 HN ARG 58 6.811 5.802 -6.950 471 HA ARG 58 HA ARG 58 8.346 7.300 -8.698 472 HB2 ARG 58 HB2 ARG 58 5.887 7.359 -8.533 473 HB3 ARG 58 HB1 ARG 58 6.011 8.204 -7.003 474 HG2 ARG 58 HG2 ARG 58 7.152 10.062 -8.175 475 HG3 ARG 58 HG1 ARG 58 6.854 9.235 -9.700 476 HD2 ARG 58 HD2 ARG 58 4.799 10.239 -7.746 477 HD3 ARG 58 HD1 ARG 58 5.145 10.896 -9.344 478 HE ARG 58 HE ARG 58 4.481 8.412 -9.973 479 HH11 ARG 58 HH11 ARG 58 2.930 10.649 -7.766 480 HH12 ARG 58 HH12 ARG 58 1.347 9.978 -8.014 481 HH21 ARG 58 HH21 ARG 58 2.418 7.526 -10.283 482 HH22 ARG 58 HH22 ARG 58 1.054 8.200 -9.447 483 H LYS 59 HN LYS 59 7.534 7.987 -5.325 484 HA LYS 59 HA LYS 59 9.108 10.352 -5.215 485 HB2 LYS 59 HB2 LYS 59 7.830 8.692 -3.039 486 HB3 LYS 59 HB1 LYS 59 8.613 10.246 -2.772 487 HG2 LYS 59 HG2 LYS 59 6.988 11.409 -3.988 488 HG3 LYS 59 HG1 LYS 59 6.366 9.938 -4.730 489 HD2 LYS 59 HD2 LYS 59 4.881 10.874 -2.970 490 HD3 LYS 59 HD1 LYS 59 5.407 9.223 -2.646 491 HE2 LYS 59 HE2 LYS 59 7.106 11.354 -1.517 492 HE3 LYS 59 HE1 LYS 59 5.483 11.224 -0.834 493 HZ1 LYS 59 HZ1 LYS 59 7.416 8.978 -1.042 494 HZ2 LYS 59 HZ2 LYS 59 5.892 8.916 -0.312 495 HZ3 LYS 59 HZ3 LYS 59 7.116 9.875 0.359 496 H MET 60 HN MET 60 9.780 6.958 -4.596 497 HA MET 60 HA MET 60 12.235 7.454 -3.220 498 HB2 MET 60 HB2 MET 60 10.973 5.209 -3.284 499 HB3 MET 60 HB1 MET 60 11.682 4.990 -4.880 500 HG2 MET 60 HG2 MET 60 13.295 3.902 -3.573 501 HG3 MET 60 HG1 MET 60 13.931 5.542 -3.508 502 HE1 MET 60 HE1 MET 60 11.764 2.882 -1.965 503 HE2 MET 60 HE2 MET 60 10.647 4.228 -1.710 504 HE3 MET 60 HE3 MET 60 11.417 3.446 -0.334 505 H GLU 61 HN GLU 61 11.248 7.027 -6.572 506 HA GLU 61 HA GLU 61 13.826 6.973 -7.722 507 HB2 GLU 61 HB2 GLU 61 11.152 7.864 -8.791 508 HB3 GLU 61 HB1 GLU 61 12.607 7.896 -9.773 509 HG2 GLU 61 HG2 GLU 61 12.869 5.466 -9.384 510 HG3 GLU 61 HG1 GLU 61 11.341 5.478 -8.503 511 H ASN 62 HN ASN 62 11.803 9.550 -6.568 512 HA ASN 62 HA ASN 62 13.549 11.622 -7.603 513 HB2 ASN 62 HB2 ASN 62 11.084 11.670 -5.867 514 HB3 ASN 62 HB1 ASN 62 12.060 13.109 -6.121 515 HD21 ASN 62 HD21 ASN 62 11.571 10.692 -8.603 516 HD22 ASN 62 HD22 ASN 62 10.577 11.671 -9.622 517 H ARG 63 HN ARG 63 13.733 9.464 -5.208 518 HA ARG 63 HA ARG 63 15.024 9.155 -3.392 519 HB2 ARG 63 HB2 ARG 63 16.555 11.536 -4.443 520 HB3 ARG 63 HB1 ARG 63 17.167 10.291 -3.366 521 HG2 ARG 63 HG2 ARG 63 16.193 9.712 -6.151 522 HG3 ARG 63 HG1 ARG 63 17.866 10.118 -5.754 523 HD2 ARG 63 HD2 ARG 63 18.122 8.193 -4.405 524 HD3 ARG 63 HD1 ARG 63 16.405 7.809 -4.478 525 HE ARG 63 HE ARG 63 16.696 7.011 -6.656 526 HH11 ARG 63 HH11 ARG 63 19.680 8.321 -5.375 527 HH12 ARG 63 HH12 ARG 63 20.674 7.583 -6.592 528 HH21 ARG 63 HH21 ARG 63 18.007 6.041 -8.260 529 HH22 ARG 63 HH22 ARG 63 19.723 6.287 -8.231 530 H ASP 64 HN ASP 64 12.717 10.814 -3.097 531 HA ASP 64 HA ASP 64 13.270 12.974 -1.335 532 HB2 ASP 64 HB2 ASP 64 10.846 11.371 -2.019 533 HB3 ASP 64 HB1 ASP 64 10.808 12.349 -0.556 534 H TYR 65 HN TYR 65 13.415 9.617 -0.946 535 HA TYR 65 HA TYR 65 12.852 9.622 1.909 536 HB2 TYR 65 HB2 TYR 65 13.718 7.350 0.099 537 HB3 TYR 65 HB1 TYR 65 13.177 7.192 1.762 538 HD1 TYR 65 HD1 TYR 65 11.375 5.691 1.336 539 HD2 TYR 65 HD2 TYR 65 11.564 9.396 -0.730 540 HE1 TYR 65 HE1 TYR 65 9.086 5.349 0.507 541 HE2 TYR 65 HE2 TYR 65 9.285 9.067 -1.538 542 HH TYR 65 HH TYR 65 7.166 6.813 -0.301 543 H ARG 66 HN ARG 66 14.385 9.363 3.487 544 HA ARG 66 HA ARG 66 17.167 9.600 2.614 545 HB2 ARG 66 HB2 ARG 66 16.089 11.220 4.246 546 HB3 ARG 66 HB1 ARG 66 16.036 9.911 5.406 547 HG2 ARG 66 HG2 ARG 66 18.613 10.882 4.180 548 HG3 ARG 66 HG1 ARG 66 17.910 11.609 5.617 549 HD2 ARG 66 HD2 ARG 66 17.989 9.382 6.718 550 HD3 ARG 66 HD1 ARG 66 18.825 8.754 5.296 551 HE ARG 66 HE ARG 66 20.188 11.028 6.226 552 HH11 ARG 66 HH11 ARG 66 19.610 7.690 7.139 553 HH12 ARG 66 HH12 ARG 66 21.060 7.583 8.094 554 HH21 ARG 66 HH21 ARG 66 22.088 10.872 7.469 555 HH22 ARG 66 HH22 ARG 66 22.464 9.385 8.280 556 H ASP 67 HN ASP 67 14.971 7.422 4.265 557 HA ASP 67 HA ASP 67 17.008 5.370 4.249 558 HB2 ASP 67 HB2 ASP 67 16.334 6.811 6.674 559 HB3 ASP 67 HB1 ASP 67 15.958 5.108 6.832 560 H ALA 68 HN ALA 68 16.042 3.262 5.061 561 HA ALA 68 HA ALA 68 13.739 2.802 3.459 562 HB1 ALA 68 HB1 ALA 68 15.088 0.942 5.406 563 HB2 ALA 68 HB2 ALA 68 15.523 1.145 3.706 564 HB3 ALA 68 HB3 ALA 68 13.946 0.484 4.141 565 H GLN 69 HN GLN 69 14.168 3.645 6.736 566 HA GLN 69 HA GLN 69 11.740 2.564 7.739 567 HB2 GLN 69 HB2 GLN 69 13.632 3.311 9.190 568 HB3 GLN 69 HB1 GLN 69 13.234 4.974 8.778 569 HG2 GLN 69 HG2 GLN 69 12.250 4.508 10.886 570 HG3 GLN 69 HG1 GLN 69 10.961 4.572 9.686 571 HE21 GLN 69 HE21 GLN 69 12.823 2.500 11.770 572 HE22 GLN 69 HE22 GLN 69 11.766 1.134 11.679 573 H GLU 70 HN GLU 70 12.664 5.565 6.172 574 HA GLU 70 HA GLU 70 10.146 6.833 6.441 575 HB2 GLU 70 HB2 GLU 70 12.390 7.269 4.465 576 HB3 GLU 70 HB1 GLU 70 10.940 8.267 4.547 577 HG2 GLU 70 HG2 GLU 70 11.602 8.571 7.033 578 HG3 GLU 70 HG1 GLU 70 13.193 8.041 6.485 579 H PHE 71 HN PHE 71 11.575 4.635 4.136 580 HA PHE 71 HA PHE 71 9.458 4.606 2.271 581 HB2 PHE 71 HB2 PHE 71 11.350 3.494 1.487 582 HB3 PHE 71 HB1 PHE 71 11.614 2.646 3.001 583 HD1 PHE 71 HD1 PHE 71 9.509 2.763 -0.027 584 HD2 PHE 71 HD2 PHE 71 10.631 0.517 3.404 585 HE1 PHE 71 HE1 PHE 71 8.333 0.801 -0.932 586 HE2 PHE 71 HE2 PHE 71 9.447 -1.443 2.518 587 HZ PHE 71 HZ PHE 71 8.303 -1.308 0.338 588 H ALA 72 HN ALA 72 10.198 2.439 4.996 589 HA ALA 72 HA ALA 72 7.943 0.877 4.952 590 HB1 ALA 72 HB1 ALA 72 9.578 1.826 7.302 591 HB2 ALA 72 HB2 ALA 72 9.756 0.317 6.405 592 HB3 ALA 72 HB3 ALA 72 8.332 0.581 7.411 593 H ALA 73 HN ALA 73 8.447 3.971 6.550 594 HA ALA 73 HA ALA 73 6.026 4.317 7.816 595 HB1 ALA 73 HB1 ALA 73 7.990 6.208 6.564 596 HB2 ALA 73 HB2 ALA 73 7.663 5.903 8.275 597 HB3 ALA 73 HB3 ALA 73 6.501 6.809 7.306 598 H ASP 74 HN ASP 74 6.879 4.975 4.447 599 HA ASP 74 HA ASP 74 4.371 6.224 3.833 600 HB2 ASP 74 HB2 ASP 74 6.793 6.403 2.706 601 HB3 ASP 74 HB1 ASP 74 6.121 5.143 1.675 602 H VAL 75 HN VAL 75 5.838 3.074 3.047 603 HA VAL 75 HA VAL 75 3.625 2.159 1.528 604 HB VAL 75 HB VAL 75 5.702 1.093 1.113 605 HG11 VAL 75 HG11 VAL 75 6.887 1.418 3.144 606 HG12 VAL 75 HG12 VAL 75 6.816 -0.320 2.854 607 HG13 VAL 75 HG13 VAL 75 5.741 0.420 4.040 608 HG21 VAL 75 HG21 VAL 75 5.201 -1.331 1.669 609 HG22 VAL 75 HG22 VAL 75 3.973 -0.451 0.754 610 HG23 VAL 75 HG23 VAL 75 3.754 -0.731 2.482 611 H ARG 76 HN ARG 76 4.491 1.786 4.949 612 HA ARG 76 HA ARG 76 2.350 -0.029 5.464 613 HB2 ARG 76 HB2 ARG 76 2.980 0.038 7.718 614 HB3 ARG 76 HB1 ARG 76 4.477 0.222 6.828 615 HG2 ARG 76 HG2 ARG 76 4.220 2.719 7.172 616 HG3 ARG 76 HG1 ARG 76 2.953 2.322 8.336 617 HD2 ARG 76 HD2 ARG 76 4.505 1.041 9.652 618 HD3 ARG 76 HD1 ARG 76 5.768 1.253 8.448 619 HE ARG 76 HE ARG 76 4.670 3.654 9.682 620 HH11 ARG 76 HH11 ARG 76 7.250 1.292 9.535 621 HH12 ARG 76 HH12 ARG 76 8.407 2.310 10.332 622 HH21 ARG 76 HH21 ARG 76 6.178 4.995 10.748 623 HH22 ARG 76 HH22 ARG 76 7.788 4.415 11.044 624 H LEU 77 HN LEU 77 2.660 3.441 5.386 625 HA LEU 77 HA LEU 77 0.241 4.096 6.689 626 HB2 LEU 77 HB2 LEU 77 2.288 5.478 5.389 627 HB3 LEU 77 HB1 LEU 77 0.858 5.810 4.430 628 HG LEU 77 HG LEU 77 1.270 6.410 7.351 629 HD11 LEU 77 HD11 LEU 77 1.013 8.056 4.878 630 HD12 LEU 77 HD12 LEU 77 2.298 8.066 6.083 631 HD13 LEU 77 HD13 LEU 77 0.712 8.727 6.477 632 HD21 LEU 77 HD21 LEU 77 -1.218 6.470 5.686 633 HD22 LEU 77 HD22 LEU 77 -1.025 7.491 7.109 634 HD23 LEU 77 HD23 LEU 77 -0.971 5.735 7.269 635 H MET 78 HN MET 78 1.042 3.095 3.420 636 HA MET 78 HA MET 78 -1.485 3.497 2.265 637 HB2 MET 78 HB2 MET 78 0.356 3.123 0.815 638 HB3 MET 78 HB1 MET 78 0.764 1.605 1.604 639 HG2 MET 78 HG2 MET 78 -1.913 1.818 0.342 640 HG3 MET 78 HG1 MET 78 -0.500 1.712 -0.720 641 HE1 MET 78 HE1 MET 78 1.553 -0.093 0.667 642 HE2 MET 78 HE2 MET 78 1.015 -0.359 -0.988 643 HE3 MET 78 HE3 MET 78 1.059 -1.704 0.148 644 H PHE 79 HN PHE 79 -0.092 0.518 3.685 645 HA PHE 79 HA PHE 79 -2.422 -1.013 3.545 646 HB2 PHE 79 HB2 PHE 79 -0.241 -1.146 5.631 647 HB3 PHE 79 HB1 PHE 79 -1.485 -2.370 5.384 648 HD1 PHE 79 HD1 PHE 79 -1.636 -2.903 2.639 649 HD2 PHE 79 HD2 PHE 79 1.801 -1.844 4.911 650 HE1 PHE 79 HE1 PHE 79 -0.201 -4.028 0.987 651 HE2 PHE 79 HE2 PHE 79 3.239 -2.964 3.267 652 HZ PHE 79 HZ PHE 79 2.251 -4.050 1.294 653 H SER 80 HN SER 80 -1.383 1.363 5.902 654 HA SER 80 HA SER 80 -3.298 0.839 7.887 655 HB2 SER 80 HB2 SER 80 -1.811 3.391 7.234 656 HB3 SER 80 HB1 SER 80 -2.760 3.135 8.698 657 HG SER 80 HG SER 80 -0.498 1.613 7.869 658 H ASN 81 HN ASN 81 -3.367 3.181 5.162 659 HA ASN 81 HA ASN 81 -5.843 4.282 5.985 660 HB2 ASN 81 HB2 ASN 81 -5.961 5.435 3.867 661 HB3 ASN 81 HB1 ASN 81 -4.317 5.509 4.476 662 HD21 ASN 81 HD21 ASN 81 -2.736 4.943 3.165 663 HD22 ASN 81 HD22 ASN 81 -2.935 4.114 1.659 664 H CYS 82 HN CYS 82 -5.036 1.520 3.998 665 HA CYS 82 HA CYS 82 -7.606 1.057 2.921 666 HB2 CYS 82 HB2 CYS 82 -5.858 -0.327 2.036 667 HB3 CYS 82 HB1 CYS 82 -5.435 -0.936 3.642 668 HG CYS 82 HG CYS 82 -6.597 -3.043 2.342 669 H TYR 83 HN TYR 83 -6.186 0.005 6.024 670 HA TYR 83 HA TYR 83 -8.493 -1.426 6.854 671 HB2 TYR 83 HB2 TYR 83 -6.344 -0.168 8.573 672 HB3 TYR 83 HB1 TYR 83 -7.574 -1.303 9.133 673 HD1 TYR 83 HD1 TYR 83 -7.469 -3.181 6.732 674 HD2 TYR 83 HD2 TYR 83 -4.371 -1.431 9.094 675 HE1 TYR 83 HE1 TYR 83 -5.998 -5.077 6.215 676 HE2 TYR 83 HE2 TYR 83 -2.920 -3.333 8.588 677 HH TYR 83 HH TYR 83 -3.524 -5.525 6.136 678 H LYS 84 HN LYS 84 -7.685 1.948 6.908 679 HA LYS 84 HA LYS 84 -9.542 2.785 8.878 680 HB2 LYS 84 HB2 LYS 84 -8.444 4.252 6.480 681 HB3 LYS 84 HB1 LYS 84 -9.445 4.994 7.712 682 HG2 LYS 84 HG2 LYS 84 -7.738 4.500 9.393 683 HG3 LYS 84 HG1 LYS 84 -6.723 3.788 8.135 684 HD2 LYS 84 HD2 LYS 84 -6.102 6.125 8.662 685 HD3 LYS 84 HD1 LYS 84 -6.589 5.905 6.982 686 HE2 LYS 84 HE2 LYS 84 -7.545 7.946 7.905 687 HE3 LYS 84 HE1 LYS 84 -8.815 6.788 7.500 688 HZ1 LYS 84 HZ1 LYS 84 -8.954 6.185 9.836 689 HZ2 LYS 84 HZ2 LYS 84 -9.192 7.848 9.652 690 HZ3 LYS 84 HZ3 LYS 84 -7.714 7.264 10.226 691 H TYR 85 HN TYR 85 -9.729 2.374 5.396 692 HA TYR 85 HA TYR 85 -12.364 3.516 5.270 693 HB2 TYR 85 HB2 TYR 85 -10.644 3.794 3.489 694 HB3 TYR 85 HB1 TYR 85 -10.819 2.088 3.098 695 HD1 TYR 85 HD1 TYR 85 -12.598 5.281 3.343 696 HD2 TYR 85 HD2 TYR 85 -12.640 1.387 1.639 697 HE1 TYR 85 HE1 TYR 85 -14.510 5.919 1.949 698 HE2 TYR 85 HE2 TYR 85 -14.549 2.023 0.232 699 HH TYR 85 HH TYR 85 -15.610 5.308 -0.017 700 H ASN 86 HN ASN 86 -10.968 0.358 4.451 701 HA ASN 86 HA ASN 86 -13.607 -0.755 4.046 702 HB2 ASN 86 HB2 ASN 86 -10.907 -2.112 3.880 703 HB3 ASN 86 HB1 ASN 86 -12.434 -2.719 3.230 704 HD21 ASN 86 HD21 ASN 86 -9.859 -0.421 2.854 705 HD22 ASN 86 HD22 ASN 86 -10.246 0.057 1.238 706 HA PRO 87 HA PRO 87 -13.904 -2.297 8.224 707 HB2 PRO 87 HB2 PRO 87 -15.955 -4.057 7.720 708 HB3 PRO 87 HB1 PRO 87 -16.178 -2.334 8.024 709 HG2 PRO 87 HG2 PRO 87 -16.143 -3.818 5.437 710 HG3 PRO 87 HG1 PRO 87 -17.162 -2.456 5.943 711 HD2 PRO 87 HD2 PRO 87 -15.033 -2.158 4.300 712 HD3 PRO 87 HD1 PRO 87 -15.548 -0.898 5.439 713 HA PRO 88 HA PRO 88 -11.347 -5.677 8.747 714 HB2 PRO 88 HB2 PRO 88 -12.924 -7.439 10.264 715 HB3 PRO 88 HB1 PRO 88 -11.872 -6.163 10.879 716 HG2 PRO 88 HG2 PRO 88 -14.814 -6.136 10.402 717 HG3 PRO 88 HG1 PRO 88 -13.875 -5.356 11.690 718 HD2 PRO 88 HD2 PRO 88 -14.846 -3.928 9.667 719 HD3 PRO 88 HD1 PRO 88 -13.223 -3.592 10.309 720 H ASP 89 HN ASP 89 -14.527 -6.595 7.559 721 HA ASP 89 HA ASP 89 -13.267 -8.944 6.297 722 HB2 ASP 89 HB2 ASP 89 -15.177 -9.495 7.807 723 HB3 ASP 89 HB1 ASP 89 -16.234 -8.519 6.787 724 H HIS 90 HN HIS 90 -12.442 -7.815 4.571 725 HA HIS 90 HA HIS 90 -14.271 -7.462 2.389 726 HB2 HIS 90 HB2 HIS 90 -14.066 -5.186 3.759 727 HB3 HIS 90 HB1 HIS 90 -12.547 -5.064 2.892 728 HD1 HIS 90 HD1 HIS 90 -12.662 -4.868 0.285 729 HD2 HIS 90 HD2 HIS 90 -16.354 -4.610 2.158 730 HE1 HIS 90 HE1 HIS 90 -14.237 -3.975 -1.441 731 HE2 HIS 90 HE2 HIS 90 -16.389 -3.614 -0.210 732 H ASP 91 HN ASP 91 -13.121 -7.450 0.354 733 HA ASP 91 HA ASP 91 -10.912 -9.098 0.306 734 HB2 ASP 91 HB2 ASP 91 -11.937 -7.159 -1.754 735 HB3 ASP 91 HB1 ASP 91 -10.575 -8.226 -2.065 736 H VAL 92 HN VAL 92 -10.906 -5.553 0.236 737 HA VAL 92 HA VAL 92 -8.181 -5.341 -0.500 738 HB VAL 92 HB VAL 92 -9.138 -3.007 0.918 739 HG11 VAL 92 HG11 VAL 92 -7.259 -3.195 -0.717 740 HG12 VAL 92 HG12 VAL 92 -8.392 -1.879 -1.014 741 HG13 VAL 92 HG13 VAL 92 -8.473 -3.351 -1.982 742 HG21 VAL 92 HG21 VAL 92 -11.324 -3.822 0.257 743 HG22 VAL 92 HG22 VAL 92 -10.773 -4.005 -1.403 744 HG23 VAL 92 HG23 VAL 92 -10.887 -2.399 -0.682 745 H VAL 93 HN VAL 93 -9.767 -5.685 2.594 746 HA VAL 93 HA VAL 93 -7.396 -4.869 4.030 747 HB VAL 93 HB VAL 93 -8.529 -5.437 6.073 748 HG11 VAL 93 HG11 VAL 93 -10.580 -4.251 4.229 749 HG12 VAL 93 HG12 VAL 93 -9.194 -3.365 4.868 750 HG13 VAL 93 HG13 VAL 93 -10.425 -3.990 5.968 751 HG21 VAL 93 HG21 VAL 93 -10.694 -6.691 4.397 752 HG22 VAL 93 HG22 VAL 93 -10.719 -6.493 6.150 753 HG23 VAL 93 HG23 VAL 93 -9.529 -7.557 5.399 754 H ALA 94 HN ALA 94 -8.967 -7.859 3.065 755 HA ALA 94 HA ALA 94 -7.234 -9.645 4.385 756 HB1 ALA 94 HB1 ALA 94 -8.769 -10.025 1.811 757 HB2 ALA 94 HB2 ALA 94 -9.345 -10.388 3.437 758 HB3 ALA 94 HB3 ALA 94 -8.010 -11.311 2.749 759 H MET 95 HN MET 95 -7.129 -8.134 1.196 760 HA MET 95 HA MET 95 -4.688 -9.353 0.404 761 HB2 MET 95 HB2 MET 95 -6.064 -6.849 -0.592 762 HB3 MET 95 HB1 MET 95 -4.646 -7.565 -1.347 763 HG2 MET 95 HG2 MET 95 -6.002 -9.666 -1.654 764 HG3 MET 95 HG1 MET 95 -7.406 -8.753 -1.117 765 HE1 MET 95 HE1 MET 95 -8.057 -6.405 -2.278 766 HE2 MET 95 HE2 MET 95 -9.015 -7.730 -2.931 767 HE3 MET 95 HE3 MET 95 -8.337 -6.521 -4.014 768 H ALA 96 HN ALA 96 -5.502 -6.408 2.165 769 HA ALA 96 HA ALA 96 -2.879 -5.310 2.132 770 HB1 ALA 96 HB1 ALA 96 -4.642 -3.803 2.616 771 HB2 ALA 96 HB2 ALA 96 -3.708 -3.970 4.105 772 HB3 ALA 96 HB3 ALA 96 -5.242 -4.822 3.927 773 H ARG 97 HN ARG 97 -4.539 -7.625 4.174 774 HA ARG 97 HA ARG 97 -2.555 -7.653 6.233 775 HB2 ARG 97 HB2 ARG 97 -4.777 -9.570 5.538 776 HB3 ARG 97 HB1 ARG 97 -3.689 -9.824 6.896 777 HG2 ARG 97 HG2 ARG 97 -4.404 -7.682 7.859 778 HG3 ARG 97 HG1 ARG 97 -5.526 -7.467 6.517 779 HD2 ARG 97 HD2 ARG 97 -5.585 -9.735 8.503 780 HD3 ARG 97 HD1 ARG 97 -6.632 -8.320 8.541 781 HE ARG 97 HE ARG 97 -6.647 -10.323 6.374 782 HH11 ARG 97 HH11 ARG 97 -8.316 -8.019 8.439 783 HH12 ARG 97 HH12 ARG 97 -9.886 -8.409 7.807 784 HH21 ARG 97 HH21 ARG 97 -8.713 -10.833 5.564 785 HH22 ARG 97 HH22 ARG 97 -10.108 -9.997 6.168 786 H LYS 98 HN LYS 98 -3.233 -9.695 3.422 787 HA LYS 98 HA LYS 98 -1.147 -11.547 3.946 788 HB2 LYS 98 HB2 LYS 98 -3.131 -11.981 2.497 789 HB3 LYS 98 HB1 LYS 98 -2.431 -10.921 1.286 790 HG2 LYS 98 HG2 LYS 98 -0.483 -12.418 1.132 791 HG3 LYS 98 HG1 LYS 98 -1.234 -13.482 2.318 792 HD2 LYS 98 HD2 LYS 98 -3.132 -13.826 0.806 793 HD3 LYS 98 HD1 LYS 98 -2.364 -12.774 -0.385 794 HE2 LYS 98 HE2 LYS 98 -1.990 -15.110 -0.927 795 HE3 LYS 98 HE1 LYS 98 -0.481 -14.293 -0.533 796 HZ1 LYS 98 HZ1 LYS 98 -2.026 -16.060 1.286 797 HZ2 LYS 98 HZ2 LYS 98 -0.587 -15.266 1.685 798 HZ3 LYS 98 HZ3 LYS 98 -0.587 -16.467 0.496 799 H LEU 99 HN LEU 99 -1.335 -8.794 1.663 800 HA LEU 99 HA LEU 99 1.361 -8.830 0.904 801 HB2 LEU 99 HB2 LEU 99 -0.826 -6.864 0.805 802 HB3 LEU 99 HB1 LEU 99 0.778 -6.191 0.813 803 HG LEU 99 HG LEU 99 -0.681 -7.444 -1.354 804 HD11 LEU 99 HD11 LEU 99 1.922 -5.989 -1.403 805 HD12 LEU 99 HD12 LEU 99 0.385 -5.160 -1.176 806 HD13 LEU 99 HD13 LEU 99 0.692 -6.063 -2.661 807 HD21 LEU 99 HD21 LEU 99 2.217 -8.203 -1.124 808 HD22 LEU 99 HD22 LEU 99 1.065 -8.673 -2.375 809 HD23 LEU 99 HD23 LEU 99 0.901 -9.322 -0.746 810 H GLN 100 HN GLN 100 -0.181 -7.623 3.796 811 HA GLN 100 HA GLN 100 1.992 -6.128 4.789 812 HB2 GLN 100 HB2 GLN 100 -0.305 -6.156 5.802 813 HB3 GLN 100 HB1 GLN 100 0.028 -7.773 6.410 814 HG2 GLN 100 HG2 GLN 100 0.370 -6.220 8.182 815 HG3 GLN 100 HG1 GLN 100 1.939 -6.845 7.683 816 HE21 GLN 100 HE21 GLN 100 -0.171 -4.087 7.705 817 HE22 GLN 100 HE22 GLN 100 1.030 -2.916 7.288 818 H ASP 101 HN ASP 101 1.172 -9.558 4.914 819 HA ASP 101 HA ASP 101 3.145 -10.418 6.689 820 HB2 ASP 101 HB2 ASP 101 1.312 -11.868 5.963 821 HB3 ASP 101 HB1 ASP 101 1.971 -11.906 4.330 822 H VAL 102 HN VAL 102 3.279 -10.242 3.115 823 HA VAL 102 HA VAL 102 5.967 -11.081 2.986 824 HB VAL 102 HB VAL 102 4.824 -11.249 0.956 825 HG11 VAL 102 HG11 VAL 102 3.927 -9.270 -0.242 826 HG12 VAL 102 HG12 VAL 102 4.101 -8.368 1.260 827 HG13 VAL 102 HG13 VAL 102 3.029 -9.768 1.188 828 HG21 VAL 102 HG21 VAL 102 6.255 -8.844 0.099 829 HG22 VAL 102 HG22 VAL 102 6.409 -10.518 -0.447 830 HG23 VAL 102 HG23 VAL 102 7.214 -9.996 1.033 831 H PHE 103 HN PHE 103 4.680 -7.752 2.724 832 HA PHE 103 HA PHE 103 7.154 -6.480 2.611 833 HB2 PHE 103 HB2 PHE 103 5.460 -5.065 2.025 834 HB3 PHE 103 HB1 PHE 103 4.405 -5.585 3.334 835 HD1 PHE 103 HD1 PHE 103 7.719 -3.908 2.909 836 HD2 PHE 103 HD2 PHE 103 4.011 -4.002 5.026 837 HE1 PHE 103 HE1 PHE 103 8.410 -1.946 4.219 838 HE2 PHE 103 HE2 PHE 103 4.710 -2.046 6.327 839 HZ PHE 103 HZ PHE 103 6.906 -1.016 5.931 840 H GLU 104 HN GLU 104 5.315 -7.454 5.493 841 HA GLU 104 HA GLU 104 6.819 -5.889 7.302 842 HB2 GLU 104 HB2 GLU 104 4.664 -6.463 8.000 843 HB3 GLU 104 HB1 GLU 104 4.844 -8.137 7.499 844 HG2 GLU 104 HG2 GLU 104 4.817 -8.077 9.858 845 HG3 GLU 104 HG1 GLU 104 6.450 -8.442 9.312 846 H PHE 105 HN PHE 105 6.915 -9.297 6.317 847 HA PHE 105 HA PHE 105 9.122 -9.896 8.034 848 HB2 PHE 105 HB2 PHE 105 7.724 -11.402 5.845 849 HB3 PHE 105 HB1 PHE 105 9.206 -12.019 6.568 850 HD1 PHE 105 HD1 PHE 105 5.672 -11.231 7.166 851 HD2 PHE 105 HD2 PHE 105 9.235 -12.878 8.799 852 HE1 PHE 105 HE1 PHE 105 4.371 -12.201 9.010 853 HE2 PHE 105 HE2 PHE 105 7.938 -13.853 10.649 854 HZ PHE 105 HZ PHE 105 5.504 -13.514 10.757 855 H ARG 106 HN ARG 106 8.791 -8.660 4.801 856 HA ARG 106 HA ARG 106 11.444 -9.176 3.943 857 HB2 ARG 106 HB2 ARG 106 9.420 -7.081 3.147 858 HB3 ARG 106 HB1 ARG 106 11.013 -7.176 2.416 859 HG2 ARG 106 HG2 ARG 106 8.951 -9.362 2.370 860 HG3 ARG 106 HG1 ARG 106 9.291 -8.242 1.048 861 HD2 ARG 106 HD2 ARG 106 11.613 -9.073 1.004 862 HD3 ARG 106 HD1 ARG 106 11.193 -10.252 2.241 863 HE ARG 106 HE ARG 106 9.653 -10.249 -0.242 864 HH11 ARG 106 HH11 ARG 106 12.128 -11.748 1.729 865 HH12 ARG 106 HH12 ARG 106 12.115 -13.236 0.839 866 HH21 ARG 106 HH21 ARG 106 9.650 -12.179 -1.430 867 HH22 ARG 106 HH22 ARG 106 10.696 -13.487 -0.959 868 H TYR 107 HN TYR 107 9.901 -6.372 5.489 869 HA TYR 107 HA TYR 107 12.299 -4.864 5.674 870 HB2 TYR 107 HB2 TYR 107 9.974 -3.902 5.844 871 HB3 TYR 107 HB1 TYR 107 9.865 -4.591 7.464 872 HD1 TYR 107 HD1 TYR 107 11.379 -1.964 5.412 873 HD2 TYR 107 HD2 TYR 107 11.175 -3.675 9.302 874 HE1 TYR 107 HE1 TYR 107 12.465 0.033 6.349 875 HE2 TYR 107 HE2 TYR 107 12.261 -1.682 10.244 876 HH TYR 107 HH TYR 107 12.579 1.195 8.577 877 H ALA 108 HN ALA 108 10.836 -7.324 7.647 878 HA ALA 108 HA ALA 108 12.314 -6.867 10.018 879 HB1 ALA 108 HB1 ALA 108 10.223 -8.162 9.927 880 HB2 ALA 108 HB2 ALA 108 11.534 -9.037 10.717 881 HB3 ALA 108 HB3 ALA 108 11.075 -9.441 9.062 882 H LYS 109 HN LYS 109 12.887 -8.892 7.172 883 HA LYS 109 HA LYS 109 15.392 -9.848 8.286 884 HB2 LYS 109 HB2 LYS 109 13.988 -10.378 5.668 885 HB3 LYS 109 HB1 LYS 109 15.599 -10.987 6.022 886 HG2 LYS 109 HG2 LYS 109 14.692 -12.166 7.983 887 HG3 LYS 109 HG1 LYS 109 13.080 -11.601 7.548 888 HD2 LYS 109 HD2 LYS 109 14.809 -13.213 5.685 889 HD3 LYS 109 HD1 LYS 109 13.679 -13.948 6.821 890 HE2 LYS 109 HE2 LYS 109 12.943 -11.957 4.685 891 HE3 LYS 109 HE1 LYS 109 12.737 -13.701 4.556 892 HZ1 LYS 109 HZ1 LYS 109 11.286 -13.572 6.539 893 HZ2 LYS 109 HZ2 LYS 109 10.677 -12.736 5.202 894 HZ3 LYS 109 HZ3 LYS 109 11.394 -11.883 6.473 895 H MET 110 HN MET 110 14.328 -7.149 6.717 896 HA MET 110 HA MET 110 16.675 -6.495 5.230 897 HB2 MET 110 HB2 MET 110 14.684 -5.365 4.590 898 HB3 MET 110 HB1 MET 110 14.329 -4.888 6.241 899 HG2 MET 110 HG2 MET 110 16.817 -3.857 5.005 900 HG3 MET 110 HG1 MET 110 15.277 -3.192 4.470 901 HE1 MET 110 HE1 MET 110 15.987 -0.793 5.247 902 HE2 MET 110 HE2 MET 110 17.549 -1.409 5.795 903 HE3 MET 110 HE3 MET 110 16.571 -0.409 6.869 904 HA PRO 111 HA PRO 111 18.953 -5.444 8.926 905 HB2 PRO 111 HB2 PRO 111 21.379 -5.230 7.815 906 HB3 PRO 111 HB1 PRO 111 20.586 -6.796 8.027 907 HG2 PRO 111 HG2 PRO 111 20.895 -5.148 5.566 908 HG3 PRO 111 HG1 PRO 111 20.927 -6.908 5.753 909 HD2 PRO 111 HD2 PRO 111 18.751 -5.396 4.878 910 HD3 PRO 111 HD1 PRO 111 18.681 -7.080 5.466 911 H ASP 112 HN ASP 112 19.877 -3.643 9.856 912 HA ASP 112 HA ASP 112 19.550 -1.137 8.394 913 HB2 ASP 112 HB2 ASP 112 19.999 -1.731 11.324 914 HB3 ASP 112 HB1 ASP 112 19.983 -0.102 10.661 915 H1 HIS 281 HT1 HIS 281 -21.617 -4.992 7.342 916 H2 HIS 281 HT2 HIS 281 -20.325 -4.407 6.424 917 H3 HIS 281 HT3 HIS 281 -21.903 -4.281 5.837 918 HA HIS 281 HA HIS 281 -22.495 -2.743 7.556 919 HB2 HIS 281 HB2 HIS 281 -19.642 -3.206 8.451 920 HB3 HIS 281 HB1 HIS 281 -20.599 -1.828 8.979 921 HD1 HIS 281 HD1 HIS 281 -19.770 -5.211 9.894 922 HD2 HIS 281 HD2 HIS 281 -23.060 -2.721 10.385 923 HE1 HIS 281 HE1 HIS 281 -21.082 -6.195 11.795 924 HE2 HIS 281 HE2 HIS 281 -22.988 -4.592 12.166 925 H ASN 282 HN ASN 282 -22.793 -1.038 6.265 926 HA ASN 282 HA ASN 282 -20.728 -0.229 4.403 927 HB2 ASN 282 HB2 ASN 282 -23.542 0.768 4.870 928 HB3 ASN 282 HB1 ASN 282 -22.450 1.482 3.689 929 HD21 ASN 282 HD21 ASN 282 -24.393 -1.272 4.499 930 HD22 ASN 282 HD22 ASN 282 -24.323 -2.030 2.947 931 H LEU 283 HN LEU 283 -19.322 0.257 6.287 932 HA LEU 283 HA LEU 283 -19.856 2.620 7.828 933 HB2 LEU 283 HB2 LEU 283 -18.538 0.769 8.735 934 HB3 LEU 283 HB1 LEU 283 -17.344 0.980 7.473 935 HG LEU 283 HG LEU 283 -16.778 3.201 8.398 936 HD11 LEU 283 HD11 LEU 283 -18.913 3.746 9.423 937 HD12 LEU 283 HD12 LEU 283 -17.607 3.837 10.604 938 HD13 LEU 283 HD13 LEU 283 -18.694 2.449 10.597 939 HD21 LEU 283 HD21 LEU 283 -16.637 0.923 10.369 940 HD22 LEU 283 HD22 LEU 283 -15.641 2.376 10.405 941 HD23 LEU 283 HD23 LEU 283 -15.497 1.245 9.061 942 H LEU 284 HN LEU 284 -20.179 4.241 6.285 943 HA LEU 284 HA LEU 284 -19.621 5.955 4.910 944 HB2 LEU 284 HB2 LEU 284 -16.903 5.350 6.045 945 HB3 LEU 284 HB1 LEU 284 -17.201 6.697 4.962 946 HG LEU 284 HG LEU 284 -18.676 6.348 7.568 947 HD11 LEU 284 HD11 LEU 284 -16.203 6.545 7.872 948 HD12 LEU 284 HD12 LEU 284 -17.145 7.847 8.596 949 HD13 LEU 284 HD13 LEU 284 -16.290 8.114 7.077 950 HD21 LEU 284 HD21 LEU 284 -19.734 7.774 5.880 951 HD22 LEU 284 HD22 LEU 284 -18.258 8.729 5.766 952 HD23 LEU 284 HD23 LEU 284 -19.180 8.709 7.266 953 H ARG 285 HN ARG 285 -20.033 3.609 3.675 954 HA ARG 285 HA ARG 285 -19.807 2.500 1.722 955 HB2 ARG 285 HB2 ARG 285 -17.852 4.712 1.131 956 HB3 ARG 285 HB1 ARG 285 -18.104 3.380 0.017 957 HG2 ARG 285 HG2 ARG 285 -19.441 5.161 -0.749 958 HG3 ARG 285 HG1 ARG 285 -20.542 4.002 -0.009 959 HD2 ARG 285 HD2 ARG 285 -20.548 5.371 2.047 960 HD3 ARG 285 HD1 ARG 285 -19.508 6.546 1.242 961 HE ARG 285 HE ARG 285 -21.795 6.120 -0.329 962 HH11 ARG 285 HH11 ARG 285 -20.862 7.609 2.698 963 HH12 ARG 285 HH12 ARG 285 -22.162 8.755 2.676 964 HH21 ARG 285 HH21 ARG 285 -23.499 7.624 -0.354 965 HH22 ARG 285 HH22 ARG 285 -23.662 8.763 0.946 966 H ILE 286 HN ILE 286 -18.453 0.869 0.738 967 HA ILE 286 HA ILE 286 -16.200 0.194 2.511 968 HB ILE 286 HB ILE 286 -16.760 -2.128 2.484 969 HG12 ILE 286 HG12 ILE 286 -17.730 -2.140 0.145 970 HG13 ILE 286 HG11 ILE 286 -18.594 -3.116 1.324 971 HG21 ILE 286 HG21 ILE 286 -17.830 -0.852 4.200 972 HG22 ILE 286 HG22 ILE 286 -18.945 -2.098 3.640 973 HG23 ILE 286 HG23 ILE 286 -19.155 -0.425 3.118 974 HD11 ILE 286 HD11 ILE 286 -20.257 -1.319 1.542 975 HD12 ILE 286 HD12 ILE 286 -20.145 -1.956 -0.098 976 HD13 ILE 286 HD13 ILE 286 -19.403 -0.408 0.299 977 HH31 ALY 287 HH1 ALY 287 -7.014 1.253 -1.280 978 HH32 ALY 287 HH2 ALY 287 -6.960 2.003 0.318 979 HH33 ALY 287 HH3 ALY 287 -7.172 0.258 0.170 980 HZ ALY 287 HZ1 ALY 287 -9.131 0.320 -1.967 981 HE3 ALY 287 HE2 ALY 287 -11.314 1.963 -1.717 982 HE2 ALY 287 HE1 ALY 287 -11.530 0.710 -0.494 983 HD3 ALY 287 HD2 ALY 287 -11.449 -1.014 -2.166 984 HD2 ALY 287 HD1 ALY 287 -11.035 0.157 -3.417 985 HG3 ALY 287 HG2 ALY 287 -13.392 -0.511 -3.521 986 HG2 ALY 287 HG1 ALY 287 -13.202 1.212 -3.196 987 HB3 ALY 287 HB2 ALY 287 -13.583 0.808 -0.824 988 HB2 ALY 287 HB1 ALY 287 -13.772 -0.910 -1.140 989 HCA ALY 287 HA ALY 287 -15.550 1.182 -2.365 990 H ALY 287 HN ALY 287 -16.739 1.203 -0.424 991 H GLN 288 HN GLN 288 -15.897 0.154 -4.290 992 HA GLN 288 HA GLN 288 -17.418 -2.301 -4.175 993 HB2 GLN 288 HB2 GLN 288 -16.657 -0.573 -6.533 994 HB3 GLN 288 HB1 GLN 288 -17.734 -1.961 -6.607 995 HG2 GLN 288 HG2 GLN 288 -19.211 -0.801 -4.968 996 HG3 GLN 288 HG1 GLN 288 -18.177 0.616 -5.126 997 HE21 GLN 288 HE21 GLN 288 -17.720 0.115 -7.991 998 HE22 GLN 288 HE22 GLN 288 -19.179 0.602 -8.781 999 H PHE 289 HN PHE 289 -15.025 -2.960 -3.292 1000 HA PHE 289 HA PHE 289 -13.642 -4.286 -5.524 1001 HB2 PHE 289 HB2 PHE 289 -12.817 -3.547 -2.740 1002 HB3 PHE 289 HB1 PHE 289 -12.019 -4.886 -3.545 1003 HD1 PHE 289 HD1 PHE 289 -13.105 -2.184 -5.695 1004 HD2 PHE 289 HD2 PHE 289 -9.956 -3.589 -3.209 1005 HE1 PHE 289 HE1 PHE 289 -11.552 -0.604 -6.769 1006 HE2 PHE 289 HE2 PHE 289 -8.402 -2.011 -4.258 1007 HZ PHE 289 HZ PHE 289 -9.195 -0.513 -6.052 1008 H LEU 290 HN LEU 290 -16.086 -5.322 -5.001 1009 HA LEU 290 HA LEU 290 -15.861 -7.506 -3.101 1010 HB2 LEU 290 HB2 LEU 290 -18.074 -6.894 -5.063 1011 HB3 LEU 290 HB1 LEU 290 -18.158 -8.014 -3.718 1012 HG LEU 290 HG LEU 290 -17.824 -5.022 -3.451 1013 HD11 LEU 290 HD11 LEU 290 -20.015 -5.593 -4.336 1014 HD12 LEU 290 HD12 LEU 290 -20.140 -5.044 -2.665 1015 HD13 LEU 290 HD13 LEU 290 -20.248 -6.765 -3.039 1016 HD21 LEU 290 HD21 LEU 290 -18.323 -7.169 -1.391 1017 HD22 LEU 290 HD22 LEU 290 -18.318 -5.433 -1.083 1018 HD23 LEU 290 HD23 LEU 290 -16.838 -6.241 -1.595 1019 H GLN 291 HN GLN 291 -13.884 -7.878 -4.750 1020 HA GLN 291 HA GLN 291 -12.839 -9.323 -6.139 1021 HB2 GLN 291 HB2 GLN 291 -14.216 -11.087 -5.108 1022 HB3 GLN 291 HB1 GLN 291 -15.486 -10.776 -6.283 1023 HG2 GLN 291 HG2 GLN 291 -13.927 -11.405 -8.086 1024 HG3 GLN 291 HG1 GLN 291 -12.717 -11.798 -6.866 1025 HE21 GLN 291 HE21 GLN 291 -12.619 -13.937 -7.493 1026 HE22 GLN 291 HE22 GLN 291 -13.888 -15.060 -7.163 1027 H SER 292 HN SER 292 -16.148 -8.794 -7.326 1028 HA SER 292 HA SER 292 -15.094 -7.413 -9.639 1029 HB2 SER 292 HB2 SER 292 -16.820 -9.888 -9.922 1030 HB3 SER 292 HB1 SER 292 -16.408 -8.788 -11.236 1031 HG SER 292 HG SER 292 -14.166 -9.523 -9.964 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 22.831 11.301 -4.810 2 H2 GLY 1 HT2 GLY 1 22.657 11.832 -3.219 3 H3 GLY 1 HT3 GLY 1 21.294 11.420 -4.126 4 HA2 GLY 1 HA1 GLY 1 23.423 9.561 -3.249 5 HA3 GLY 1 HA2 GLY 1 21.814 9.682 -2.552 6 H LYS 2 HN LYS 2 23.521 7.679 -4.272 7 HA LYS 2 HA LYS 2 21.602 7.191 -6.426 8 HB2 LYS 2 HB2 LYS 2 24.251 5.878 -5.790 9 HB3 LYS 2 HB1 LYS 2 23.243 5.494 -7.177 10 HG2 LYS 2 HG2 LYS 2 24.464 8.193 -6.641 11 HG3 LYS 2 HG1 LYS 2 25.140 6.973 -7.719 12 HD2 LYS 2 HD2 LYS 2 23.017 7.046 -9.023 13 HD3 LYS 2 HD1 LYS 2 22.493 8.390 -8.006 14 HE2 LYS 2 HE2 LYS 2 24.419 9.700 -8.731 15 HE3 LYS 2 HE1 LYS 2 24.975 8.352 -9.721 16 HZ1 LYS 2 HZ1 LYS 2 22.868 8.537 -10.975 17 HZ2 LYS 2 HZ2 LYS 2 23.849 9.903 -11.109 18 HZ3 LYS 2 HZ3 LYS 2 22.494 9.934 -10.099 19 H LEU 3 HN LEU 3 20.687 6.812 -3.805 20 HA LEU 3 HA LEU 3 19.498 5.382 -2.531 21 HB2 LEU 3 HB2 LEU 3 19.896 3.491 -4.847 22 HB3 LEU 3 HB1 LEU 3 18.910 3.147 -3.438 23 HG LEU 3 HG LEU 3 18.384 5.452 -5.306 24 HD11 LEU 3 HD11 LEU 3 17.227 2.669 -5.241 25 HD12 LEU 3 HD12 LEU 3 18.115 3.429 -6.562 26 HD13 LEU 3 HD13 LEU 3 16.513 4.021 -6.122 27 HD21 LEU 3 HD21 LEU 3 17.496 5.711 -3.030 28 HD22 LEU 3 HD22 LEU 3 16.685 4.151 -3.178 29 HD23 LEU 3 HD23 LEU 3 16.208 5.495 -4.215 30 H SER 4 HN SER 4 20.856 5.218 -0.864 31 HA SER 4 HA SER 4 23.126 3.541 -0.744 32 HB2 SER 4 HB2 SER 4 21.427 4.640 1.509 33 HB3 SER 4 HB1 SER 4 23.071 4.018 1.657 34 HG SER 4 HG SER 4 23.085 6.275 1.508 35 H GLU 5 HN GLU 5 23.086 1.883 1.302 36 HA GLU 5 HA GLU 5 21.959 -0.422 0.312 37 HB2 GLU 5 HB2 GLU 5 23.752 -0.396 1.978 38 HB3 GLU 5 HB1 GLU 5 22.623 0.183 3.195 39 HG2 GLU 5 HG2 GLU 5 21.313 -1.907 2.884 40 HG3 GLU 5 HG1 GLU 5 22.587 -2.489 1.814 41 H GLN 6 HN GLN 6 20.638 1.608 2.936 42 HA GLN 6 HA GLN 6 18.412 -0.047 3.457 43 HB2 GLN 6 HB2 GLN 6 18.979 2.854 4.042 44 HB3 GLN 6 HB1 GLN 6 17.432 2.124 4.450 45 HG2 GLN 6 HG2 GLN 6 19.145 2.271 6.300 46 HG3 GLN 6 HG1 GLN 6 18.390 0.701 6.043 47 HE21 GLN 6 HE21 GLN 6 19.640 -1.006 5.318 48 HE22 GLN 6 HE22 GLN 6 21.370 -0.950 5.264 49 H LEU 7 HN LEU 7 18.783 2.795 1.343 50 HA LEU 7 HA LEU 7 16.010 2.757 0.593 51 HB2 LEU 7 HB2 LEU 7 18.366 4.310 -0.467 52 HB3 LEU 7 HB1 LEU 7 16.750 4.474 -1.121 53 HG LEU 7 HG LEU 7 17.504 5.044 1.740 54 HD11 LEU 7 HD11 LEU 7 18.508 6.666 0.253 55 HD12 LEU 7 HD12 LEU 7 17.159 7.399 1.112 56 HD13 LEU 7 HD13 LEU 7 16.970 6.905 -0.570 57 HD21 LEU 7 HD21 LEU 7 15.251 4.497 1.806 58 HD22 LEU 7 HD22 LEU 7 14.939 5.173 0.208 59 HD23 LEU 7 HD23 LEU 7 15.224 6.246 1.578 60 H LYS 8 HN LYS 8 18.900 1.267 -0.602 61 HA LYS 8 HA LYS 8 17.774 0.567 -3.142 62 HB2 LYS 8 HB2 LYS 8 20.213 0.636 -2.763 63 HB3 LYS 8 HB1 LYS 8 20.061 -0.679 -1.614 64 HG2 LYS 8 HG2 LYS 8 20.889 -1.447 -3.779 65 HG3 LYS 8 HG1 LYS 8 19.337 -2.181 -3.372 66 HD2 LYS 8 HD2 LYS 8 19.439 -1.489 -5.729 67 HD3 LYS 8 HD1 LYS 8 18.184 -0.623 -4.841 68 HE2 LYS 8 HE2 LYS 8 19.434 0.866 -6.329 69 HE3 LYS 8 HE1 LYS 8 19.641 1.316 -4.639 70 HZ1 LYS 8 HZ1 LYS 8 21.581 -0.253 -6.248 71 HZ2 LYS 8 HZ2 LYS 8 21.793 0.230 -4.643 72 HZ3 LYS 8 HZ3 LYS 8 21.728 1.386 -5.872 73 H HIS 9 HN HIS 9 17.974 -0.877 0.053 74 HA HIS 9 HA HIS 9 16.779 -3.340 -0.664 75 HB2 HIS 9 HB2 HIS 9 18.034 -2.634 1.545 76 HB3 HIS 9 HB1 HIS 9 16.419 -2.183 2.073 77 HD1 HIS 9 HD1 HIS 9 18.640 -4.915 2.282 78 HD2 HIS 9 HD2 HIS 9 14.569 -4.581 1.518 79 HE1 HIS 9 HE1 HIS 9 17.665 -7.176 2.797 80 HE2 HIS 9 HE2 HIS 9 15.241 -6.999 2.136 81 H CYS 10 HN CYS 10 15.503 -0.188 0.279 82 HA CYS 10 HA CYS 10 12.827 -1.104 0.587 83 HB2 CYS 10 HB2 CYS 10 12.176 1.169 0.783 84 HB3 CYS 10 HB1 CYS 10 13.769 1.066 1.533 85 HG CYS 10 HG CYS 10 14.525 1.882 -1.424 86 H ASN 11 HN ASN 11 14.758 -0.038 -2.103 87 HA ASN 11 HA ASN 11 12.656 0.240 -3.985 88 HB2 ASN 11 HB2 ASN 11 14.984 1.107 -4.307 89 HB3 ASN 11 HB1 ASN 11 15.534 -0.552 -4.512 90 HD21 ASN 11 HD21 ASN 11 16.202 -0.349 -6.605 91 HD22 ASN 11 HD22 ASN 11 15.125 -0.066 -7.928 92 H GLY 12 HN GLY 12 14.666 -2.443 -2.929 93 HA2 GLY 12 HA2 GLY 12 13.817 -4.294 -4.916 94 HA3 GLY 12 HA1 GLY 12 14.642 -4.689 -3.414 95 H ILE 13 HN ILE 13 12.772 -3.676 -1.592 96 HA ILE 13 HA ILE 13 10.927 -5.794 -1.406 97 HB ILE 13 HB ILE 13 10.939 -3.119 -0.033 98 HG12 ILE 13 HG12 ILE 13 11.785 -5.836 0.974 99 HG13 ILE 13 HG11 ILE 13 12.904 -4.606 0.399 100 HG21 ILE 13 HG21 ILE 13 8.998 -5.264 0.025 101 HG22 ILE 13 HG22 ILE 13 8.853 -3.596 0.565 102 HG23 ILE 13 HG23 ILE 13 9.580 -4.807 1.622 103 HD11 ILE 13 HD11 ILE 13 11.201 -4.616 2.856 104 HD12 ILE 13 HD12 ILE 13 11.907 -3.128 2.226 105 HD13 ILE 13 HD13 ILE 13 12.951 -4.458 2.728 106 H LEU 14 HN LEU 14 10.496 -2.394 -2.320 107 HA LEU 14 HA LEU 14 7.767 -2.427 -2.825 108 HB2 LEU 14 HB2 LEU 14 9.723 -0.563 -2.918 109 HB3 LEU 14 HB1 LEU 14 9.468 -0.828 -4.630 110 HG LEU 14 HG LEU 14 7.240 -0.162 -2.733 111 HD11 LEU 14 HD11 LEU 14 9.125 1.582 -4.267 112 HD12 LEU 14 HD12 LEU 14 8.653 1.690 -2.570 113 HD13 LEU 14 HD13 LEU 14 7.505 2.132 -3.836 114 HD21 LEU 14 HD21 LEU 14 6.710 -1.224 -4.965 115 HD22 LEU 14 HD22 LEU 14 7.434 0.202 -5.717 116 HD23 LEU 14 HD23 LEU 14 6.007 0.376 -4.699 117 H LYS 15 HN LYS 15 10.488 -3.098 -4.988 118 HA LYS 15 HA LYS 15 9.110 -3.512 -7.350 119 HB2 LYS 15 HB2 LYS 15 11.320 -3.497 -7.805 120 HB3 LYS 15 HB1 LYS 15 11.740 -4.168 -6.235 121 HG2 LYS 15 HG2 LYS 15 12.401 -5.828 -7.688 122 HG3 LYS 15 HG1 LYS 15 10.811 -6.349 -7.172 123 HD2 LYS 15 HD2 LYS 15 9.824 -5.713 -9.210 124 HD3 LYS 15 HD1 LYS 15 11.246 -4.782 -9.693 125 HE2 LYS 15 HE2 LYS 15 12.530 -6.727 -10.029 126 HE3 LYS 15 HE1 LYS 15 11.353 -7.734 -9.198 127 HZ1 LYS 15 HZ1 LYS 15 9.793 -7.264 -11.035 128 HZ2 LYS 15 HZ2 LYS 15 11.183 -8.068 -11.559 129 HZ3 LYS 15 HZ3 LYS 15 11.010 -6.407 -11.834 130 H GLU 16 HN GLU 16 9.654 -5.630 -4.640 131 HA GLU 16 HA GLU 16 8.821 -8.003 -5.981 132 HB2 GLU 16 HB2 GLU 16 10.275 -8.158 -4.024 133 HB3 GLU 16 HB1 GLU 16 9.037 -7.412 -3.018 134 HG2 GLU 16 HG2 GLU 16 7.622 -9.485 -3.910 135 HG3 GLU 16 HG1 GLU 16 9.227 -10.182 -4.046 136 H LEU 17 HN LEU 17 7.270 -5.837 -3.648 137 HA LEU 17 HA LEU 17 4.766 -7.135 -3.565 138 HB2 LEU 17 HB2 LEU 17 5.383 -4.189 -3.220 139 HB3 LEU 17 HB1 LEU 17 3.914 -4.982 -2.710 140 HG LEU 17 HG LEU 17 6.564 -5.844 -1.597 141 HD11 LEU 17 HD11 LEU 17 6.329 -3.396 -1.334 142 HD12 LEU 17 HD12 LEU 17 6.314 -4.265 0.197 143 HD13 LEU 17 HD13 LEU 17 4.806 -3.660 -0.491 144 HD21 LEU 17 HD21 LEU 17 4.648 -7.280 -1.139 145 HD22 LEU 17 HD22 LEU 17 3.736 -5.900 -0.545 146 HD23 LEU 17 HD23 LEU 17 5.159 -6.457 0.328 147 H LEU 18 HN LEU 18 6.275 -5.140 -5.929 148 HA LEU 18 HA LEU 18 3.823 -4.624 -7.406 149 HB2 LEU 18 HB2 LEU 18 6.705 -3.921 -7.892 150 HB3 LEU 18 HB1 LEU 18 5.431 -3.556 -9.031 151 HG LEU 18 HG LEU 18 5.622 -2.509 -6.215 152 HD11 LEU 18 HD11 LEU 18 7.271 -1.455 -7.499 153 HD12 LEU 18 HD12 LEU 18 5.908 -0.334 -7.473 154 HD13 LEU 18 HD13 LEU 18 6.215 -1.318 -8.905 155 HD21 LEU 18 HD21 LEU 18 3.666 -1.351 -6.544 156 HD22 LEU 18 HD22 LEU 18 3.296 -2.887 -7.314 157 HD23 LEU 18 HD23 LEU 18 3.738 -1.492 -8.296 158 H SER 19 HN SER 19 6.189 -7.044 -7.259 159 HA SER 19 HA SER 19 6.285 -7.775 -10.010 160 HB2 SER 19 HB2 SER 19 6.988 -9.344 -7.520 161 HB3 SER 19 HB1 SER 19 7.335 -9.870 -9.166 162 HG SER 19 HG SER 19 8.222 -7.379 -8.137 163 H LYS 20 HN LYS 20 5.509 -9.738 -10.934 164 HA LYS 20 HA LYS 20 2.712 -9.926 -10.725 165 HB2 LYS 20 HB2 LYS 20 4.810 -11.411 -12.265 166 HB3 LYS 20 HB1 LYS 20 3.170 -12.046 -12.213 167 HG2 LYS 20 HG2 LYS 20 3.550 -10.680 -14.204 168 HG3 LYS 20 HG1 LYS 20 2.291 -10.006 -13.172 169 HD2 LYS 20 HD2 LYS 20 3.924 -8.403 -12.263 170 HD3 LYS 20 HD1 LYS 20 5.154 -9.065 -13.341 171 HE2 LYS 20 HE2 LYS 20 3.777 -8.422 -15.277 172 HE3 LYS 20 HE1 LYS 20 2.577 -7.721 -14.190 173 HZ1 LYS 20 HZ1 LYS 20 4.303 -6.195 -13.390 174 HZ2 LYS 20 HZ2 LYS 20 3.998 -6.014 -15.043 175 HZ3 LYS 20 HZ3 LYS 20 5.388 -6.826 -14.528 176 H LYS 21 HN LYS 21 5.218 -11.609 -9.103 177 HA LYS 21 HA LYS 21 3.895 -13.966 -8.376 178 HB2 LYS 21 HB2 LYS 21 6.206 -13.846 -7.926 179 HB3 LYS 21 HB1 LYS 21 6.050 -12.330 -7.064 180 HG2 LYS 21 HG2 LYS 21 4.873 -13.475 -5.261 181 HG3 LYS 21 HG1 LYS 21 5.067 -15.010 -6.100 182 HD2 LYS 21 HD2 LYS 21 7.552 -14.584 -6.042 183 HD3 LYS 21 HD1 LYS 21 7.198 -13.257 -4.928 184 HE2 LYS 21 HE2 LYS 21 7.666 -15.111 -3.548 185 HE3 LYS 21 HE1 LYS 21 5.909 -14.938 -3.567 186 HZ1 LYS 21 HZ1 LYS 21 5.715 -16.718 -5.106 187 HZ2 LYS 21 HZ2 LYS 21 6.677 -17.250 -3.822 188 HZ3 LYS 21 HZ3 LYS 21 7.390 -16.829 -5.295 189 H HIS 22 HN HIS 22 3.567 -10.697 -7.210 190 HA HIS 22 HA HIS 22 1.750 -11.669 -5.102 191 HB2 HIS 22 HB2 HIS 22 3.271 -9.037 -5.230 192 HB3 HIS 22 HB1 HIS 22 2.170 -9.518 -3.927 193 HD1 HIS 22 HD1 HIS 22 3.001 -11.374 -2.285 194 HD2 HIS 22 HD2 HIS 22 5.809 -10.196 -5.130 195 HE1 HIS 22 HE1 HIS 22 5.191 -12.294 -1.473 196 HE2 HIS 22 HE2 HIS 22 6.905 -11.326 -3.059 197 H ALA 23 HN ALA 23 1.862 -10.134 -8.072 198 HA ALA 23 HA ALA 23 0.185 -7.983 -7.988 199 HB1 ALA 23 HB1 ALA 23 1.433 -8.725 -9.949 200 HB2 ALA 23 HB2 ALA 23 -0.251 -8.371 -10.331 201 HB3 ALA 23 HB3 ALA 23 0.288 -10.044 -10.177 202 H ALA 24 HN ALA 24 -0.750 -11.363 -7.995 203 HA ALA 24 HA ALA 24 -3.444 -11.200 -8.613 204 HB1 ALA 24 HB1 ALA 24 -1.857 -13.047 -6.870 205 HB2 ALA 24 HB2 ALA 24 -2.517 -13.332 -8.484 206 HB3 ALA 24 HB3 ALA 24 -3.597 -13.259 -7.092 207 H TYR 25 HN TYR 25 -1.819 -10.393 -5.626 208 HA TYR 25 HA TYR 25 -4.388 -9.496 -4.524 209 HB2 TYR 25 HB2 TYR 25 -3.456 -10.270 -2.239 210 HB3 TYR 25 HB1 TYR 25 -4.114 -11.487 -3.327 211 HD1 TYR 25 HD1 TYR 25 -0.894 -9.957 -2.255 212 HD2 TYR 25 HD2 TYR 25 -2.862 -13.351 -3.895 213 HE1 TYR 25 HE1 TYR 25 1.188 -11.255 -2.080 214 HE2 TYR 25 HE2 TYR 25 -0.776 -14.645 -3.746 215 HH TYR 25 HH TYR 25 1.626 -14.263 -3.616 216 H ALA 26 HN ALA 26 -1.879 -8.334 -5.805 217 HA ALA 26 HA ALA 26 -1.277 -6.371 -3.688 218 HB1 ALA 26 HB1 ALA 26 0.716 -7.618 -4.417 219 HB2 ALA 26 HB2 ALA 26 0.823 -5.909 -4.843 220 HB3 ALA 26 HB3 ALA 26 0.418 -7.098 -6.076 221 H TRP 27 HN TRP 27 -2.844 -6.830 -6.660 222 HA TRP 27 HA TRP 27 -2.341 -4.462 -7.999 223 HB2 TRP 27 HB2 TRP 27 -4.534 -4.765 -9.134 224 HB3 TRP 27 HB1 TRP 27 -3.520 -6.197 -9.146 225 HD1 TRP 27 HD1 TRP 27 -4.418 -8.340 -7.864 226 HE1 TRP 27 HE1 TRP 27 -6.744 -8.986 -6.971 227 HE3 TRP 27 HE3 TRP 27 -6.662 -3.737 -8.013 228 HZ2 TRP 27 HZ2 TRP 27 -9.204 -7.718 -6.422 229 HZ3 TRP 27 HZ3 TRP 27 -9.006 -3.549 -7.295 230 HH2 TRP 27 HH2 TRP 27 -10.248 -5.498 -6.513 231 HA PRO 28 HA PRO 28 -6.075 -2.450 -5.438 232 HB2 PRO 28 HB2 PRO 28 -5.431 -2.956 -2.732 233 HB3 PRO 28 HB1 PRO 28 -6.888 -3.465 -3.583 234 HG2 PRO 28 HG2 PRO 28 -4.478 -4.996 -2.874 235 HG3 PRO 28 HG1 PRO 28 -6.110 -5.575 -3.251 236 HD2 PRO 28 HD2 PRO 28 -3.964 -5.862 -4.926 237 HD3 PRO 28 HD1 PRO 28 -5.645 -5.804 -5.481 238 H PHE 29 HN PHE 29 -2.713 -2.915 -4.782 239 HA PHE 29 HA PHE 29 -2.569 -0.252 -3.517 240 HB2 PHE 29 HB2 PHE 29 -0.343 -2.232 -3.282 241 HB3 PHE 29 HB1 PHE 29 -0.826 -0.945 -2.174 242 HD1 PHE 29 HD1 PHE 29 -0.774 -4.395 -2.661 243 HD2 PHE 29 HD2 PHE 29 -3.275 -1.283 -1.173 244 HE1 PHE 29 HE1 PHE 29 -2.019 -6.033 -1.332 245 HE2 PHE 29 HE2 PHE 29 -4.523 -2.929 0.160 246 HZ PHE 29 HZ PHE 29 -3.893 -5.305 0.077 247 H TYR 30 HN TYR 30 -1.758 -1.941 -6.328 248 HA TYR 30 HA TYR 30 0.682 -0.854 -7.075 249 HB2 TYR 30 HB2 TYR 30 -1.717 -1.706 -8.667 250 HB3 TYR 30 HB1 TYR 30 -0.318 -1.000 -9.471 251 HD1 TYR 30 HD1 TYR 30 0.564 -2.783 -6.552 252 HD2 TYR 30 HD2 TYR 30 -0.361 -3.312 -10.656 253 HE1 TYR 30 HE1 TYR 30 1.697 -4.950 -6.508 254 HE2 TYR 30 HE2 TYR 30 0.760 -5.498 -10.627 255 HH TYR 30 HH TYR 30 1.908 -6.925 -7.644 256 H LYS 31 HN LYS 31 -2.553 0.513 -7.631 257 HA LYS 31 HA LYS 31 -1.310 3.140 -7.929 258 HB2 LYS 31 HB2 LYS 31 -3.185 1.784 -9.845 259 HB3 LYS 31 HB1 LYS 31 -3.022 3.536 -9.807 260 HG2 LYS 31 HG2 LYS 31 -0.605 3.279 -10.233 261 HG3 LYS 31 HG1 LYS 31 -0.842 1.540 -10.363 262 HD2 LYS 31 HD2 LYS 31 -2.209 3.579 -12.108 263 HD3 LYS 31 HD1 LYS 31 -0.727 2.742 -12.549 264 HE2 LYS 31 HE2 LYS 31 -2.352 1.481 -13.610 265 HE3 LYS 31 HE1 LYS 31 -2.086 0.588 -12.117 266 HZ1 LYS 31 HZ1 LYS 31 -4.445 0.847 -12.690 267 HZ2 LYS 31 HZ2 LYS 31 -4.295 2.525 -12.548 268 HZ3 LYS 31 HZ3 LYS 31 -4.074 1.541 -11.196 269 HA PRO 32 HA PRO 32 -4.463 4.736 -5.299 270 HB2 PRO 32 HB2 PRO 32 -5.463 6.833 -6.833 271 HB3 PRO 32 HB1 PRO 32 -4.043 6.926 -5.786 272 HG2 PRO 32 HG2 PRO 32 -4.199 6.467 -8.737 273 HG3 PRO 32 HG1 PRO 32 -3.055 7.459 -7.814 274 HD2 PRO 32 HD2 PRO 32 -2.327 5.076 -8.732 275 HD3 PRO 32 HD1 PRO 32 -1.828 5.602 -7.110 276 H VAL 33 HN VAL 33 -6.582 4.362 -4.880 277 HA VAL 33 HA VAL 33 -8.132 2.862 -6.689 278 HB VAL 33 HB VAL 33 -9.682 2.625 -5.047 279 HG11 VAL 33 HG11 VAL 33 -7.612 2.107 -3.982 280 HG12 VAL 33 HG12 VAL 33 -8.720 2.810 -2.808 281 HG13 VAL 33 HG13 VAL 33 -7.406 3.780 -3.475 282 HG21 VAL 33 HG21 VAL 33 -10.936 4.432 -4.686 283 HG22 VAL 33 HG22 VAL 33 -9.557 5.530 -4.834 284 HG23 VAL 33 HG23 VAL 33 -9.870 4.713 -3.303 285 H ASP 34 HN ASP 34 -9.956 3.430 -7.876 286 HA ASP 34 HA ASP 34 -9.879 6.204 -8.799 287 HB2 ASP 34 HB2 ASP 34 -11.264 3.778 -9.986 288 HB3 ASP 34 HB1 ASP 34 -11.277 5.393 -10.688 289 H ALA 35 HN ALA 35 -10.791 6.770 -6.717 290 HA ALA 35 HA ALA 35 -13.036 5.724 -5.562 291 HB1 ALA 35 HB1 ALA 35 -12.721 7.271 -3.983 292 HB2 ALA 35 HB2 ALA 35 -12.747 8.602 -5.143 293 HB3 ALA 35 HB3 ALA 35 -11.269 7.669 -4.909 294 H SER 36 HN SER 36 -12.937 8.499 -7.801 295 HA SER 36 HA SER 36 -15.684 9.109 -7.634 296 HB2 SER 36 HB2 SER 36 -14.001 10.630 -8.621 297 HB3 SER 36 HB1 SER 36 -13.782 9.517 -9.968 298 HG SER 36 HG SER 36 -15.232 10.896 -10.751 299 H ALA 37 HN ALA 37 -13.914 6.910 -9.804 300 HA ALA 37 HA ALA 37 -16.232 6.165 -11.305 301 HB1 ALA 37 HB1 ALA 37 -13.539 4.833 -11.019 302 HB2 ALA 37 HB2 ALA 37 -14.040 5.941 -12.296 303 HB3 ALA 37 HB3 ALA 37 -14.784 4.347 -12.170 304 H LEU 38 HN LEU 38 -14.734 5.145 -8.371 305 HA LEU 38 HA LEU 38 -16.229 2.694 -8.085 306 HB2 LEU 38 HB2 LEU 38 -14.466 4.301 -6.237 307 HB3 LEU 38 HB1 LEU 38 -15.251 2.816 -5.740 308 HG LEU 38 HG LEU 38 -13.443 2.855 -8.140 309 HD11 LEU 38 HD11 LEU 38 -12.637 2.693 -5.244 310 HD12 LEU 38 HD12 LEU 38 -12.034 3.784 -6.487 311 HD13 LEU 38 HD13 LEU 38 -11.647 2.066 -6.560 312 HD21 LEU 38 HD21 LEU 38 -14.153 0.719 -6.141 313 HD22 LEU 38 HD22 LEU 38 -13.157 0.517 -7.583 314 HD23 LEU 38 HD23 LEU 38 -14.871 0.901 -7.742 315 H GLY 39 HN GLY 39 -16.929 5.909 -7.848 316 HA2 GLY 39 HA2 GLY 39 -18.867 6.972 -7.283 317 HA3 GLY 39 HA1 GLY 39 -19.493 5.482 -6.587 318 H LEU 40 HN LEU 40 -16.423 6.216 -5.460 319 HA LEU 40 HA LEU 40 -17.447 6.819 -2.823 320 HB2 LEU 40 HB2 LEU 40 -14.553 6.647 -3.590 321 HB3 LEU 40 HB1 LEU 40 -15.294 6.290 -2.042 322 HG LEU 40 HG LEU 40 -15.396 4.619 -4.545 323 HD11 LEU 40 HD11 LEU 40 -13.407 4.098 -3.573 324 HD12 LEU 40 HD12 LEU 40 -14.467 2.963 -2.748 325 HD13 LEU 40 HD13 LEU 40 -13.976 4.451 -1.944 326 HD21 LEU 40 HD21 LEU 40 -16.846 4.203 -1.952 327 HD22 LEU 40 HD22 LEU 40 -16.703 3.002 -3.225 328 HD23 LEU 40 HD23 LEU 40 -17.573 4.507 -3.521 329 H HIS 41 HN HIS 41 -18.203 8.923 -3.065 330 HA HIS 41 HA HIS 41 -16.443 11.011 -4.027 331 HB2 HIS 41 HB2 HIS 41 -18.525 12.453 -3.241 332 HB3 HIS 41 HB1 HIS 41 -18.600 11.483 -4.708 333 HD1 HIS 41 HD1 HIS 41 -20.082 9.381 -4.685 334 HD2 HIS 41 HD2 HIS 41 -20.203 11.536 -1.123 335 HE1 HIS 41 HE1 HIS 41 -21.966 8.399 -3.363 336 HE2 HIS 41 HE2 HIS 41 -22.141 9.834 -1.300 337 H ASP 42 HN ASP 42 -16.373 9.422 -1.273 338 HA ASP 42 HA ASP 42 -15.740 11.809 0.331 339 HB2 ASP 42 HB2 ASP 42 -17.030 9.240 1.208 340 HB3 ASP 42 HB1 ASP 42 -16.363 10.409 2.339 341 H TYR 43 HN TYR 43 -14.020 10.016 -1.366 342 HA TYR 43 HA TYR 43 -12.665 8.238 0.410 343 HB2 TYR 43 HB2 TYR 43 -12.804 7.691 -1.929 344 HB3 TYR 43 HB1 TYR 43 -12.031 9.196 -2.389 345 HD1 TYR 43 HD1 TYR 43 -11.467 5.927 -0.778 346 HD2 TYR 43 HD2 TYR 43 -9.665 9.361 -2.512 347 HE1 TYR 43 HE1 TYR 43 -9.307 4.767 -0.803 348 HE2 TYR 43 HE2 TYR 43 -7.498 8.209 -2.543 349 HH TYR 43 HH TYR 43 -7.172 4.849 -1.888 350 H HIS 44 HN HIS 44 -11.957 11.451 -0.888 351 HA HIS 44 HA HIS 44 -9.325 11.471 0.287 352 HB2 HIS 44 HB2 HIS 44 -10.937 13.541 -1.188 353 HB3 HIS 44 HB1 HIS 44 -9.396 13.932 -0.433 354 HD1 HIS 44 HD1 HIS 44 -7.292 13.213 -1.627 355 HD2 HIS 44 HD2 HIS 44 -10.747 11.720 -3.388 356 HE1 HIS 44 HE1 HIS 44 -6.557 12.223 -3.820 357 HE2 HIS 44 HE2 HIS 44 -8.644 11.210 -4.805 358 H ASP 45 HN ASP 45 -12.415 12.005 1.463 359 HA ASP 45 HA ASP 45 -11.645 13.957 3.459 360 HB2 ASP 45 HB2 ASP 45 -14.205 12.414 3.027 361 HB3 ASP 45 HB1 ASP 45 -13.964 13.541 4.356 362 H ILE 46 HN ILE 46 -12.485 10.515 3.353 363 HA ILE 46 HA ILE 46 -11.952 10.127 6.150 364 HB ILE 46 HB ILE 46 -12.491 8.214 3.875 365 HG12 ILE 46 HG12 ILE 46 -14.386 7.579 5.409 366 HG13 ILE 46 HG11 ILE 46 -13.948 8.951 6.417 367 HG21 ILE 46 HG21 ILE 46 -11.143 6.760 5.011 368 HG22 ILE 46 HG22 ILE 46 -12.619 6.539 5.943 369 HG23 ILE 46 HG23 ILE 46 -11.349 7.599 6.544 370 HD11 ILE 46 HD11 ILE 46 -14.795 9.091 3.539 371 HD12 ILE 46 HD12 ILE 46 -14.414 10.463 4.582 372 HD13 ILE 46 HD13 ILE 46 -15.816 9.449 4.933 373 H ILE 47 HN ILE 47 -10.266 9.416 3.127 374 HA ILE 47 HA ILE 47 -7.938 8.499 4.614 375 HB ILE 47 HB ILE 47 -8.368 8.606 1.633 376 HG12 ILE 47 HG12 ILE 47 -9.975 7.131 2.795 377 HG13 ILE 47 HG11 ILE 47 -8.858 6.216 1.794 378 HG21 ILE 47 HG21 ILE 47 -6.493 6.965 1.634 379 HG22 ILE 47 HG22 ILE 47 -6.259 7.311 3.344 380 HG23 ILE 47 HG23 ILE 47 -6.038 8.586 2.148 381 HD11 ILE 47 HD11 ILE 47 -8.467 6.587 4.743 382 HD12 ILE 47 HD12 ILE 47 -7.713 5.409 3.677 383 HD13 ILE 47 HD13 ILE 47 -9.416 5.281 4.068 384 H LYS 48 HN LYS 48 -7.061 10.284 5.502 385 HA LYS 48 HA LYS 48 -6.543 12.669 3.980 386 HB2 LYS 48 HB2 LYS 48 -5.819 11.796 6.772 387 HB3 LYS 48 HB1 LYS 48 -5.271 13.316 6.083 388 HG2 LYS 48 HG2 LYS 48 -8.163 12.525 6.326 389 HG3 LYS 48 HG1 LYS 48 -7.296 13.504 7.509 390 HD2 LYS 48 HD2 LYS 48 -7.041 15.288 6.013 391 HD3 LYS 48 HD1 LYS 48 -7.384 14.274 4.612 392 HE2 LYS 48 HE2 LYS 48 -9.227 15.814 5.232 393 HE3 LYS 48 HE1 LYS 48 -9.663 14.109 5.174 394 HZ1 LYS 48 HZ1 LYS 48 -9.493 14.019 7.579 395 HZ2 LYS 48 HZ2 LYS 48 -10.600 15.205 7.114 396 HZ3 LYS 48 HZ3 LYS 48 -9.056 15.650 7.641 397 H HIS 49 HN HIS 49 -4.865 9.769 4.864 398 HA HIS 49 HA HIS 49 -2.430 10.760 3.544 399 HB2 HIS 49 HB2 HIS 49 -1.352 8.821 4.872 400 HB3 HIS 49 HB1 HIS 49 -1.778 10.295 5.729 401 HD1 HIS 49 HD1 HIS 49 -3.184 6.817 5.132 402 HD2 HIS 49 HD2 HIS 49 -3.356 9.900 7.910 403 HE1 HIS 49 HE1 HIS 49 -4.535 5.918 7.056 404 HE2 HIS 49 HE2 HIS 49 -4.637 7.803 8.724 405 HA PRO 50 HA PRO 50 -3.973 7.228 0.896 406 HB2 PRO 50 HB2 PRO 50 -4.207 8.557 -1.421 407 HB3 PRO 50 HB1 PRO 50 -5.507 8.571 -0.221 408 HG2 PRO 50 HG2 PRO 50 -3.382 10.629 -0.733 409 HG3 PRO 50 HG1 PRO 50 -5.129 10.861 -0.512 410 HD2 PRO 50 HD2 PRO 50 -3.348 11.240 1.503 411 HD3 PRO 50 HD1 PRO 50 -5.001 10.645 1.782 412 H MET 51 HN MET 51 -2.226 6.030 0.458 413 HA MET 51 HA MET 51 -0.183 7.180 -1.282 414 HB2 MET 51 HB2 MET 51 0.819 7.271 0.903 415 HB3 MET 51 HB1 MET 51 0.337 5.620 1.269 416 HG2 MET 51 HG2 MET 51 2.762 5.915 0.730 417 HG3 MET 51 HG1 MET 51 1.926 4.745 -0.297 418 HE1 MET 51 HE1 MET 51 3.100 8.437 -0.020 419 HE2 MET 51 HE2 MET 51 1.501 8.668 -0.720 420 HE3 MET 51 HE3 MET 51 2.943 9.032 -1.670 421 H ASP 52 HN ASP 52 0.899 5.669 -2.604 422 HA ASP 52 HA ASP 52 -0.352 3.014 -2.823 423 HB2 ASP 52 HB2 ASP 52 0.242 4.568 -5.329 424 HB3 ASP 52 HB1 ASP 52 -0.953 3.292 -5.071 425 H LEU 53 HN LEU 53 1.085 1.423 -3.818 426 HA LEU 53 HA LEU 53 3.773 1.770 -3.154 427 HB2 LEU 53 HB2 LEU 53 2.358 -0.221 -4.872 428 HB3 LEU 53 HB1 LEU 53 4.109 -0.238 -4.749 429 HG LEU 53 HG LEU 53 2.280 -0.389 -2.365 430 HD11 LEU 53 HD11 LEU 53 2.028 -2.277 -3.970 431 HD12 LEU 53 HD12 LEU 53 2.571 -2.745 -2.364 432 HD13 LEU 53 HD13 LEU 53 3.722 -2.663 -3.700 433 HD21 LEU 53 HD21 LEU 53 4.451 0.387 -1.785 434 HD22 LEU 53 HD22 LEU 53 5.222 -0.874 -2.742 435 HD23 LEU 53 HD23 LEU 53 4.322 -1.296 -1.284 436 H SER 54 HN SER 54 2.166 2.241 -6.256 437 HA SER 54 HA SER 54 4.445 2.676 -7.828 438 HB2 SER 54 HB2 SER 54 2.907 4.017 -9.290 439 HB3 SER 54 HB1 SER 54 2.264 2.428 -8.877 440 HG SER 54 HG SER 54 0.714 3.322 -7.765 441 H THR 55 HN THR 55 2.573 4.878 -5.804 442 HA THR 55 HA THR 55 4.006 7.225 -6.520 443 HB THR 55 HB THR 55 2.485 6.949 -3.942 444 HG1 THR 55 HG1 THR 55 0.599 6.864 -5.028 445 HG21 THR 55 HG21 THR 55 3.706 9.035 -4.615 446 HG22 THR 55 HG22 THR 55 1.983 9.249 -4.309 447 HG23 THR 55 HG23 THR 55 2.586 9.180 -5.967 448 H VAL 56 HN VAL 56 4.264 4.841 -3.927 449 HA VAL 56 HA VAL 56 6.196 6.152 -2.361 450 HB VAL 56 HB VAL 56 5.878 3.175 -2.828 451 HG11 VAL 56 HG11 VAL 56 8.091 3.735 -1.941 452 HG12 VAL 56 HG12 VAL 56 7.110 2.899 -0.735 453 HG13 VAL 56 HG13 VAL 56 7.336 4.645 -0.630 454 HG21 VAL 56 HG21 VAL 56 3.892 4.348 -1.898 455 HG22 VAL 56 HG22 VAL 56 4.885 4.860 -0.537 456 HG23 VAL 56 HG23 VAL 56 4.582 3.145 -0.810 457 H LYS 57 HN LYS 57 6.493 3.905 -5.066 458 HA LYS 57 HA LYS 57 9.311 3.896 -5.181 459 HB2 LYS 57 HB2 LYS 57 7.259 2.581 -6.481 460 HB3 LYS 57 HB1 LYS 57 7.975 3.559 -7.754 461 HG2 LYS 57 HG2 LYS 57 10.174 2.599 -7.224 462 HG3 LYS 57 HG1 LYS 57 9.421 1.590 -6.002 463 HD2 LYS 57 HD2 LYS 57 7.960 0.641 -7.786 464 HD3 LYS 57 HD1 LYS 57 8.937 1.520 -8.965 465 HE2 LYS 57 HE2 LYS 57 10.006 -0.488 -6.991 466 HE3 LYS 57 HE1 LYS 57 9.635 -0.840 -8.679 467 HZ1 LYS 57 HZ1 LYS 57 11.731 0.965 -7.614 468 HZ2 LYS 57 HZ2 LYS 57 11.250 0.987 -9.235 469 HZ3 LYS 57 HZ3 LYS 57 11.932 -0.411 -8.576 470 H ARG 58 HN ARG 58 6.829 5.798 -6.768 471 HA ARG 58 HA ARG 58 8.357 7.315 -8.517 472 HB2 ARG 58 HB2 ARG 58 5.893 7.275 -8.398 473 HB3 ARG 58 HB1 ARG 58 5.960 8.164 -6.889 474 HG2 ARG 58 HG2 ARG 58 6.866 10.087 -7.991 475 HG3 ARG 58 HG1 ARG 58 6.979 9.215 -9.514 476 HD2 ARG 58 HD2 ARG 58 4.563 8.976 -9.575 477 HD3 ARG 58 HD1 ARG 58 4.437 9.777 -8.010 478 HE ARG 58 HE ARG 58 5.524 11.733 -9.260 479 HH11 ARG 58 HH11 ARG 58 3.336 9.439 -10.742 480 HH12 ARG 58 HH12 ARG 58 2.679 10.590 -11.858 481 HH21 ARG 58 HH21 ARG 58 4.658 13.256 -10.728 482 HH22 ARG 58 HH22 ARG 58 3.442 12.758 -11.862 483 H LYS 59 HN LYS 59 7.485 8.046 -5.152 484 HA LYS 59 HA LYS 59 9.042 10.430 -5.046 485 HB2 LYS 59 HB2 LYS 59 7.829 8.740 -2.852 486 HB3 LYS 59 HB1 LYS 59 8.585 10.309 -2.598 487 HG2 LYS 59 HG2 LYS 59 6.915 11.437 -3.794 488 HG3 LYS 59 HG1 LYS 59 6.307 9.945 -4.508 489 HD2 LYS 59 HD2 LYS 59 4.832 10.836 -2.733 490 HD3 LYS 59 HD1 LYS 59 5.432 9.218 -2.383 491 HE2 LYS 59 HE2 LYS 59 7.113 11.380 -1.334 492 HE3 LYS 59 HE1 LYS 59 5.484 11.335 -0.656 493 HZ1 LYS 59 HZ1 LYS 59 7.146 10.004 0.576 494 HZ2 LYS 59 HZ2 LYS 59 7.275 8.972 -0.759 495 HZ3 LYS 59 HZ3 LYS 59 5.802 9.109 0.067 496 H MET 60 HN MET 60 9.659 7.062 -4.247 497 HA MET 60 HA MET 60 12.186 7.428 -3.026 498 HB2 MET 60 HB2 MET 60 10.997 5.282 -2.907 499 HB3 MET 60 HB1 MET 60 11.163 5.084 -4.646 500 HG2 MET 60 HG2 MET 60 13.696 5.242 -4.182 501 HG3 MET 60 HG1 MET 60 13.243 4.893 -2.518 502 HE1 MET 60 HE1 MET 60 11.764 2.842 -1.851 503 HE2 MET 60 HE2 MET 60 11.392 1.475 -2.898 504 HE3 MET 60 HE3 MET 60 10.609 3.033 -3.167 505 H GLU 61 HN GLU 61 11.161 7.069 -6.390 506 HA GLU 61 HA GLU 61 13.752 6.959 -7.525 507 HB2 GLU 61 HB2 GLU 61 11.047 7.708 -8.611 508 HB3 GLU 61 HB1 GLU 61 12.489 7.788 -9.611 509 HG2 GLU 61 HG2 GLU 61 12.888 5.408 -9.223 510 HG3 GLU 61 HG1 GLU 61 11.450 5.336 -8.206 511 H ASN 62 HN ASN 62 11.736 9.565 -6.461 512 HA ASN 62 HA ASN 62 13.458 11.605 -7.594 513 HB2 ASN 62 HB2 ASN 62 11.036 11.705 -5.801 514 HB3 ASN 62 HB1 ASN 62 12.008 13.134 -6.117 515 HD21 ASN 62 HD21 ASN 62 11.410 10.627 -8.496 516 HD22 ASN 62 HD22 ASN 62 10.413 11.586 -9.530 517 H ARG 63 HN ARG 63 13.731 9.500 -5.176 518 HA ARG 63 HA ARG 63 15.038 9.229 -3.369 519 HB2 ARG 63 HB2 ARG 63 16.577 11.588 -4.449 520 HB3 ARG 63 HB1 ARG 63 17.186 10.315 -3.404 521 HG2 ARG 63 HG2 ARG 63 16.161 9.849 -6.190 522 HG3 ARG 63 HG1 ARG 63 17.858 10.116 -5.780 523 HD2 ARG 63 HD2 ARG 63 18.062 8.089 -4.703 524 HD3 ARG 63 HD1 ARG 63 16.335 7.955 -4.385 525 HE ARG 63 HE ARG 63 16.012 7.132 -6.531 526 HH11 ARG 63 HH11 ARG 63 19.369 8.040 -6.071 527 HH12 ARG 63 HH12 ARG 63 19.914 7.172 -7.473 528 HH21 ARG 63 HH21 ARG 63 16.742 6.009 -8.384 529 HH22 ARG 63 HH22 ARG 63 18.429 6.036 -8.787 530 H ASP 64 HN ASP 64 12.743 10.883 -3.075 531 HA ASP 64 HA ASP 64 13.350 13.052 -1.316 532 HB2 ASP 64 HB2 ASP 64 10.870 11.553 -2.060 533 HB3 ASP 64 HB1 ASP 64 10.846 12.604 -0.650 534 H TYR 65 HN TYR 65 13.476 9.741 -0.968 535 HA TYR 65 HA TYR 65 12.811 9.675 1.863 536 HB2 TYR 65 HB2 TYR 65 13.719 7.495 -0.034 537 HB3 TYR 65 HB1 TYR 65 13.292 7.240 1.653 538 HD1 TYR 65 HD1 TYR 65 11.548 5.654 1.174 539 HD2 TYR 65 HD2 TYR 65 11.418 9.547 -0.524 540 HE1 TYR 65 HE1 TYR 65 9.209 5.291 0.506 541 HE2 TYR 65 HE2 TYR 65 9.089 9.190 -1.175 542 HH TYR 65 HH TYR 65 7.226 6.585 -0.021 543 H ARG 66 HN ARG 66 14.278 9.450 3.486 544 HA ARG 66 HA ARG 66 17.097 9.755 2.770 545 HB2 ARG 66 HB2 ARG 66 16.211 11.302 4.428 546 HB3 ARG 66 HB1 ARG 66 15.646 9.966 5.420 547 HG2 ARG 66 HG2 ARG 66 17.938 9.289 5.855 548 HG3 ARG 66 HG1 ARG 66 18.532 10.582 4.810 549 HD2 ARG 66 HD2 ARG 66 17.569 12.247 6.300 550 HD3 ARG 66 HD1 ARG 66 16.910 10.971 7.325 551 HE ARG 66 HE ARG 66 19.612 10.486 7.184 552 HH11 ARG 66 HH11 ARG 66 17.588 13.117 8.296 553 HH12 ARG 66 HH12 ARG 66 18.740 13.666 9.472 554 HH21 ARG 66 HH21 ARG 66 21.122 11.207 8.722 555 HH22 ARG 66 HH22 ARG 66 20.742 12.579 9.720 556 H ASP 67 HN ASP 67 14.902 7.479 4.314 557 HA ASP 67 HA ASP 67 16.971 5.447 4.208 558 HB2 ASP 67 HB2 ASP 67 15.767 6.403 6.796 559 HB3 ASP 67 HB1 ASP 67 16.321 4.746 6.614 560 H ALA 68 HN ALA 68 16.044 3.304 4.908 561 HA ALA 68 HA ALA 68 13.719 2.803 3.377 562 HB1 ALA 68 HB1 ALA 68 15.167 1.043 5.339 563 HB2 ALA 68 HB2 ALA 68 15.469 1.145 3.605 564 HB3 ALA 68 HB3 ALA 68 13.938 0.499 4.198 565 H GLN 69 HN GLN 69 14.202 3.683 6.660 566 HA GLN 69 HA GLN 69 11.847 2.610 7.770 567 HB2 GLN 69 HB2 GLN 69 13.712 3.545 9.127 568 HB3 GLN 69 HB1 GLN 69 13.277 5.154 8.567 569 HG2 GLN 69 HG2 GLN 69 12.278 5.031 10.640 570 HG3 GLN 69 HG1 GLN 69 10.971 4.641 9.527 571 HE21 GLN 69 HE21 GLN 69 9.799 3.520 11.043 572 HE22 GLN 69 HE22 GLN 69 10.285 1.973 11.642 573 H GLU 70 HN GLU 70 12.618 5.636 6.151 574 HA GLU 70 HA GLU 70 10.071 6.816 6.430 575 HB2 GLU 70 HB2 GLU 70 12.283 7.338 4.437 576 HB3 GLU 70 HB1 GLU 70 10.832 8.329 4.607 577 HG2 GLU 70 HG2 GLU 70 11.522 8.618 7.042 578 HG3 GLU 70 HG1 GLU 70 13.078 7.948 6.556 579 H PHE 71 HN PHE 71 11.514 4.652 4.105 580 HA PHE 71 HA PHE 71 9.360 4.647 2.271 581 HB2 PHE 71 HB2 PHE 71 11.202 3.592 1.359 582 HB3 PHE 71 HB1 PHE 71 11.621 2.779 2.860 583 HD1 PHE 71 HD1 PHE 71 9.414 2.711 -0.076 584 HD2 PHE 71 HD2 PHE 71 10.703 0.626 3.394 585 HE1 PHE 71 HE1 PHE 71 8.312 0.666 -0.899 586 HE2 PHE 71 HE2 PHE 71 9.596 -1.413 2.591 587 HZ PHE 71 HZ PHE 71 8.405 -1.400 0.436 588 H ALA 72 HN ALA 72 10.181 2.489 4.982 589 HA ALA 72 HA ALA 72 7.960 0.860 4.918 590 HB1 ALA 72 HB1 ALA 72 9.618 1.790 7.252 591 HB2 ALA 72 HB2 ALA 72 9.779 0.290 6.339 592 HB3 ALA 72 HB3 ALA 72 8.376 0.545 7.377 593 H ALA 73 HN ALA 73 8.400 3.981 6.460 594 HA ALA 73 HA ALA 73 5.975 4.247 7.776 595 HB1 ALA 73 HB1 ALA 73 7.925 6.171 6.563 596 HB2 ALA 73 HB2 ALA 73 7.550 5.871 8.266 597 HB3 ALA 73 HB3 ALA 73 6.408 6.760 7.258 598 H ASP 74 HN ASP 74 6.805 5.034 4.404 599 HA ASP 74 HA ASP 74 4.248 6.142 3.803 600 HB2 ASP 74 HB2 ASP 74 6.795 5.750 2.461 601 HB3 ASP 74 HB1 ASP 74 5.437 5.454 1.393 602 H VAL 75 HN VAL 75 5.808 3.021 3.071 603 HA VAL 75 HA VAL 75 3.644 2.023 1.534 604 HB VAL 75 HB VAL 75 5.726 0.962 1.186 605 HG11 VAL 75 HG11 VAL 75 6.907 1.386 3.194 606 HG12 VAL 75 HG12 VAL 75 6.845 -0.366 2.999 607 HG13 VAL 75 HG13 VAL 75 5.766 0.433 4.142 608 HG21 VAL 75 HG21 VAL 75 5.275 -1.447 1.895 609 HG22 VAL 75 HG22 VAL 75 4.080 -0.653 0.865 610 HG23 VAL 75 HG23 VAL 75 3.780 -0.822 2.596 611 H ARG 76 HN ARG 76 4.459 1.726 4.977 612 HA ARG 76 HA ARG 76 2.334 -0.072 5.550 613 HB2 ARG 76 HB2 ARG 76 2.843 0.232 7.835 614 HB3 ARG 76 HB1 ARG 76 4.375 0.316 6.992 615 HG2 ARG 76 HG2 ARG 76 4.384 2.727 7.154 616 HG3 ARG 76 HG1 ARG 76 2.794 2.707 7.915 617 HD2 ARG 76 HD2 ARG 76 4.703 3.008 9.493 618 HD3 ARG 76 HD1 ARG 76 3.658 1.644 9.860 619 HE ARG 76 HE ARG 76 5.618 0.506 8.397 620 HH11 ARG 76 HH11 ARG 76 5.685 2.623 11.192 621 HH12 ARG 76 HH12 ARG 76 7.140 1.927 11.836 622 HH21 ARG 76 HH21 ARG 76 7.526 -0.413 9.264 623 HH22 ARG 76 HH22 ARG 76 8.186 0.214 10.742 624 H LEU 77 HN LEU 77 2.589 3.392 5.292 625 HA LEU 77 HA LEU 77 0.174 4.112 6.544 626 HB2 LEU 77 HB2 LEU 77 2.199 5.365 4.947 627 HB3 LEU 77 HB1 LEU 77 0.619 5.852 4.368 628 HG LEU 77 HG LEU 77 1.673 6.174 7.167 629 HD11 LEU 77 HD11 LEU 77 1.108 8.083 4.936 630 HD12 LEU 77 HD12 LEU 77 2.653 7.770 5.722 631 HD13 LEU 77 HD13 LEU 77 1.362 8.588 6.604 632 HD21 LEU 77 HD21 LEU 77 -1.047 6.655 5.974 633 HD22 LEU 77 HD22 LEU 77 -0.480 7.502 7.418 634 HD23 LEU 77 HD23 LEU 77 -0.619 5.746 7.430 635 H MET 78 HN MET 78 0.957 3.088 3.297 636 HA MET 78 HA MET 78 -1.564 3.438 2.128 637 HB2 MET 78 HB2 MET 78 0.310 3.041 0.713 638 HB3 MET 78 HB1 MET 78 0.691 1.529 1.525 639 HG2 MET 78 HG2 MET 78 -1.971 1.725 0.251 640 HG3 MET 78 HG1 MET 78 -0.563 1.649 -0.820 641 HE1 MET 78 HE1 MET 78 1.521 -0.161 0.630 642 HE2 MET 78 HE2 MET 78 1.025 -0.329 -1.049 643 HE3 MET 78 HE3 MET 78 1.055 -1.741 0.002 644 H PHE 79 HN PHE 79 -0.147 0.510 3.627 645 HA PHE 79 HA PHE 79 -2.464 -1.052 3.502 646 HB2 PHE 79 HB2 PHE 79 -0.280 -1.130 5.589 647 HB3 PHE 79 HB1 PHE 79 -1.511 -2.370 5.359 648 HD1 PHE 79 HD1 PHE 79 -1.651 -2.878 2.582 649 HD2 PHE 79 HD2 PHE 79 1.764 -1.888 4.918 650 HE1 PHE 79 HE1 PHE 79 -0.206 -4.013 0.944 651 HE2 PHE 79 HE2 PHE 79 3.209 -3.020 3.289 652 HZ PHE 79 HZ PHE 79 2.240 -4.071 1.292 653 H SER 80 HN SER 80 -1.417 1.321 5.875 654 HA SER 80 HA SER 80 -3.331 0.834 7.858 655 HB2 SER 80 HB2 SER 80 -1.920 3.414 7.131 656 HB3 SER 80 HB1 SER 80 -2.830 3.146 8.617 657 HG SER 80 HG SER 80 -0.654 1.504 7.821 658 H ASN 81 HN ASN 81 -3.428 3.165 5.129 659 HA ASN 81 HA ASN 81 -5.903 4.236 5.988 660 HB2 ASN 81 HB2 ASN 81 -5.981 5.533 3.995 661 HB3 ASN 81 HB1 ASN 81 -4.307 5.476 4.521 662 HD21 ASN 81 HD21 ASN 81 -2.792 4.691 3.182 663 HD22 ASN 81 HD22 ASN 81 -3.120 4.048 1.610 664 H CYS 82 HN CYS 82 -5.083 1.512 3.975 665 HA CYS 82 HA CYS 82 -7.652 1.127 2.825 666 HB2 CYS 82 HB2 CYS 82 -5.848 -0.219 1.916 667 HB3 CYS 82 HB1 CYS 82 -5.525 -0.937 3.497 668 HG CYS 82 HG CYS 82 -6.678 -2.997 2.258 669 H TYR 83 HN TYR 83 -6.233 -0.006 5.893 670 HA TYR 83 HA TYR 83 -8.519 -1.480 6.705 671 HB2 TYR 83 HB2 TYR 83 -6.390 -0.192 8.428 672 HB3 TYR 83 HB1 TYR 83 -7.609 -1.335 8.992 673 HD1 TYR 83 HD1 TYR 83 -7.452 -3.210 6.571 674 HD2 TYR 83 HD2 TYR 83 -4.416 -1.449 9.008 675 HE1 TYR 83 HE1 TYR 83 -5.960 -5.099 6.088 676 HE2 TYR 83 HE2 TYR 83 -2.946 -3.345 8.539 677 HH TYR 83 HH TYR 83 -3.499 -5.553 6.070 678 H LYS 84 HN LYS 84 -7.765 1.886 6.730 679 HA LYS 84 HA LYS 84 -9.634 2.603 8.775 680 HB2 LYS 84 HB2 LYS 84 -7.679 4.012 8.227 681 HB3 LYS 84 HB1 LYS 84 -8.382 4.336 6.646 682 HG2 LYS 84 HG2 LYS 84 -10.213 5.502 7.608 683 HG3 LYS 84 HG1 LYS 84 -9.717 5.038 9.235 684 HD2 LYS 84 HD2 LYS 84 -7.770 6.397 9.115 685 HD3 LYS 84 HD1 LYS 84 -8.002 6.682 7.386 686 HE2 LYS 84 HE2 LYS 84 -8.678 8.599 8.796 687 HE3 LYS 84 HE1 LYS 84 -9.987 7.950 7.806 688 HZ1 LYS 84 HZ1 LYS 84 -9.551 7.342 10.682 689 HZ2 LYS 84 HZ2 LYS 84 -10.840 6.792 9.735 690 HZ3 LYS 84 HZ3 LYS 84 -10.691 8.440 10.086 691 H TYR 85 HN TYR 85 -9.653 2.749 5.226 692 HA TYR 85 HA TYR 85 -12.246 3.935 5.127 693 HB2 TYR 85 HB2 TYR 85 -10.554 4.196 3.324 694 HB3 TYR 85 HB1 TYR 85 -10.772 2.504 2.904 695 HD1 TYR 85 HD1 TYR 85 -12.490 5.745 3.219 696 HD2 TYR 85 HD2 TYR 85 -12.627 1.865 1.467 697 HE1 TYR 85 HE1 TYR 85 -14.403 6.434 1.841 698 HE2 TYR 85 HE2 TYR 85 -14.538 2.549 0.095 699 HH TYR 85 HH TYR 85 -16.295 4.209 0.068 700 H ASN 86 HN ASN 86 -11.019 0.688 4.333 701 HA ASN 86 HA ASN 86 -13.667 -0.227 3.659 702 HB2 ASN 86 HB2 ASN 86 -11.039 -1.724 3.788 703 HB3 ASN 86 HB1 ASN 86 -12.546 -2.369 3.132 704 HD21 ASN 86 HD21 ASN 86 -9.896 -0.200 2.643 705 HD22 ASN 86 HD22 ASN 86 -10.228 0.166 0.984 706 HA PRO 87 HA PRO 87 -14.632 -1.627 7.772 707 HB2 PRO 87 HB2 PRO 87 -16.817 -3.125 7.036 708 HB3 PRO 87 HB1 PRO 87 -16.854 -1.381 7.309 709 HG2 PRO 87 HG2 PRO 87 -16.717 -2.899 4.747 710 HG3 PRO 87 HG1 PRO 87 -17.597 -1.407 5.129 711 HD2 PRO 87 HD2 PRO 87 -15.268 -1.429 3.743 712 HD3 PRO 87 HD1 PRO 87 -15.748 -0.083 4.796 713 HA PRO 88 HA PRO 88 -12.737 -5.426 8.694 714 HB2 PRO 88 HB2 PRO 88 -15.112 -6.810 9.561 715 HB3 PRO 88 HB1 PRO 88 -13.806 -6.140 10.536 716 HG2 PRO 88 HG2 PRO 88 -16.429 -4.988 9.873 717 HG3 PRO 88 HG1 PRO 88 -15.338 -4.602 11.213 718 HD2 PRO 88 HD2 PRO 88 -15.728 -2.907 9.162 719 HD3 PRO 88 HD1 PRO 88 -14.146 -3.061 9.959 720 H ASP 89 HN ASP 89 -15.909 -6.006 7.149 721 HA ASP 89 HA ASP 89 -14.766 -8.422 5.950 722 HB2 ASP 89 HB2 ASP 89 -17.001 -8.656 7.025 723 HB3 ASP 89 HB1 ASP 89 -17.662 -7.522 5.846 724 H HIS 90 HN HIS 90 -13.414 -7.345 4.508 725 HA HIS 90 HA HIS 90 -14.719 -6.884 1.978 726 HB2 HIS 90 HB2 HIS 90 -14.311 -4.618 3.442 727 HB3 HIS 90 HB1 HIS 90 -12.768 -4.743 2.611 728 HD1 HIS 90 HD1 HIS 90 -12.727 -4.406 0.077 729 HD2 HIS 90 HD2 HIS 90 -16.533 -4.016 1.697 730 HE1 HIS 90 HE1 HIS 90 -14.138 -3.443 -1.743 731 HE2 HIS 90 HE2 HIS 90 -16.471 -3.463 -0.820 732 H ASP 91 HN ASP 91 -13.181 -6.928 0.210 733 HA ASP 91 HA ASP 91 -11.197 -8.894 0.675 734 HB2 ASP 91 HB2 ASP 91 -11.947 -7.290 -1.753 735 HB3 ASP 91 HB1 ASP 91 -10.622 -8.446 -1.772 736 H VAL 92 HN VAL 92 -11.000 -5.407 0.339 737 HA VAL 92 HA VAL 92 -8.243 -5.438 -0.357 738 HB VAL 92 HB VAL 92 -8.999 -2.895 0.748 739 HG11 VAL 92 HG11 VAL 92 -7.181 -3.350 -0.826 740 HG12 VAL 92 HG12 VAL 92 -8.295 -2.125 -1.422 741 HG13 VAL 92 HG13 VAL 92 -8.366 -3.770 -2.052 742 HG21 VAL 92 HG21 VAL 92 -11.263 -3.506 0.247 743 HG22 VAL 92 HG22 VAL 92 -10.804 -4.066 -1.354 744 HG23 VAL 92 HG23 VAL 92 -10.706 -2.350 -0.956 745 H VAL 93 HN VAL 93 -9.939 -5.446 2.663 746 HA VAL 93 HA VAL 93 -7.642 -4.624 4.175 747 HB VAL 93 HB VAL 93 -8.849 -5.278 6.170 748 HG11 VAL 93 HG11 VAL 93 -10.825 -4.024 4.278 749 HG12 VAL 93 HG12 VAL 93 -9.455 -3.164 4.987 750 HG13 VAL 93 HG13 VAL 93 -10.724 -3.811 6.028 751 HG21 VAL 93 HG21 VAL 93 -10.918 -6.481 4.344 752 HG22 VAL 93 HG22 VAL 93 -11.051 -6.326 6.095 753 HG23 VAL 93 HG23 VAL 93 -9.817 -7.374 5.393 754 H ALA 94 HN ALA 94 -9.027 -7.637 3.078 755 HA ALA 94 HA ALA 94 -7.281 -9.351 4.532 756 HB1 ALA 94 HB1 ALA 94 -8.867 -9.910 2.024 757 HB2 ALA 94 HB2 ALA 94 -9.433 -10.131 3.678 758 HB3 ALA 94 HB3 ALA 94 -8.107 -11.117 3.060 759 H MET 95 HN MET 95 -7.264 -8.072 1.209 760 HA MET 95 HA MET 95 -4.847 -9.336 0.449 761 HB2 MET 95 HB2 MET 95 -6.189 -6.842 -0.614 762 HB3 MET 95 HB1 MET 95 -4.752 -7.560 -1.336 763 HG2 MET 95 HG2 MET 95 -6.044 -9.659 -1.689 764 HG3 MET 95 HG1 MET 95 -7.479 -8.835 -1.080 765 HE1 MET 95 HE1 MET 95 -8.227 -6.447 -2.163 766 HE2 MET 95 HE2 MET 95 -9.188 -7.778 -2.797 767 HE3 MET 95 HE3 MET 95 -8.577 -6.536 -3.887 768 H ALA 96 HN ALA 96 -5.568 -6.315 2.115 769 HA ALA 96 HA ALA 96 -2.915 -5.297 2.081 770 HB1 ALA 96 HB1 ALA 96 -4.637 -3.733 2.549 771 HB2 ALA 96 HB2 ALA 96 -3.713 -3.919 4.044 772 HB3 ALA 96 HB3 ALA 96 -5.268 -4.728 3.865 773 H ARG 97 HN ARG 97 -4.598 -7.628 4.071 774 HA ARG 97 HA ARG 97 -2.690 -7.648 6.201 775 HB2 ARG 97 HB2 ARG 97 -4.829 -9.608 5.386 776 HB3 ARG 97 HB1 ARG 97 -3.752 -9.900 6.740 777 HG2 ARG 97 HG2 ARG 97 -4.555 -7.791 7.767 778 HG3 ARG 97 HG1 ARG 97 -5.722 -7.646 6.452 779 HD2 ARG 97 HD2 ARG 97 -6.766 -8.638 8.408 780 HD3 ARG 97 HD1 ARG 97 -6.689 -9.809 7.092 781 HE ARG 97 HE ARG 97 -4.486 -9.937 8.962 782 HH11 ARG 97 HH11 ARG 97 -7.683 -11.111 8.159 783 HH12 ARG 97 HH12 ARG 97 -7.523 -12.564 9.090 784 HH21 ARG 97 HH21 ARG 97 -4.271 -11.846 10.197 785 HH22 ARG 97 HH22 ARG 97 -5.580 -12.984 10.252 786 H LYS 98 HN LYS 98 -3.238 -9.729 3.381 787 HA LYS 98 HA LYS 98 -1.174 -11.557 4.015 788 HB2 LYS 98 HB2 LYS 98 -3.086 -12.043 2.514 789 HB3 LYS 98 HB1 LYS 98 -2.390 -10.969 1.314 790 HG2 LYS 98 HG2 LYS 98 -0.410 -12.427 1.190 791 HG3 LYS 98 HG1 LYS 98 -1.155 -13.504 2.367 792 HD2 LYS 98 HD2 LYS 98 -3.046 -13.841 0.813 793 HD3 LYS 98 HD1 LYS 98 -2.217 -12.831 -0.372 794 HE2 LYS 98 HE2 LYS 98 -1.869 -15.195 -0.835 795 HE3 LYS 98 HE1 LYS 98 -0.363 -14.380 -0.427 796 HZ1 LYS 98 HZ1 LYS 98 -0.508 -15.285 1.803 797 HZ2 LYS 98 HZ2 LYS 98 -0.547 -16.532 0.666 798 HZ3 LYS 98 HZ3 LYS 98 -1.973 -16.045 1.432 799 H LEU 99 HN LEU 99 -1.270 -8.760 1.828 800 HA LEU 99 HA LEU 99 1.445 -8.895 1.072 801 HB2 LEU 99 HB2 LEU 99 -0.682 -6.846 0.916 802 HB3 LEU 99 HB1 LEU 99 0.962 -6.287 0.821 803 HG LEU 99 HG LEU 99 -0.658 -7.620 -1.206 804 HD11 LEU 99 HD11 LEU 99 1.937 -6.174 -1.448 805 HD12 LEU 99 HD12 LEU 99 0.402 -5.336 -1.229 806 HD13 LEU 99 HD13 LEU 99 0.668 -6.338 -2.658 807 HD21 LEU 99 HD21 LEU 99 2.247 -8.369 -1.061 808 HD22 LEU 99 HD22 LEU 99 1.040 -8.914 -2.227 809 HD23 LEU 99 HD23 LEU 99 0.952 -9.462 -0.556 810 H GLN 100 HN GLN 100 -0.156 -7.613 3.885 811 HA GLN 100 HA GLN 100 1.996 -6.083 4.899 812 HB2 GLN 100 HB2 GLN 100 -0.349 -6.005 5.771 813 HB3 GLN 100 HB1 GLN 100 -0.110 -7.605 6.460 814 HG2 GLN 100 HG2 GLN 100 0.124 -5.941 8.169 815 HG3 GLN 100 HG1 GLN 100 1.686 -6.704 7.874 816 HE21 GLN 100 HE21 GLN 100 -0.204 -3.814 7.541 817 HE22 GLN 100 HE22 GLN 100 1.106 -2.754 7.171 818 H ASP 101 HN ASP 101 1.194 -9.484 4.951 819 HA ASP 101 HA ASP 101 3.088 -10.339 6.851 820 HB2 ASP 101 HB2 ASP 101 1.341 -11.845 6.249 821 HB3 ASP 101 HB1 ASP 101 1.762 -11.758 4.543 822 H VAL 102 HN VAL 102 3.272 -10.327 3.276 823 HA VAL 102 HA VAL 102 5.923 -11.254 3.164 824 HB VAL 102 HB VAL 102 4.774 -11.421 1.136 825 HG11 VAL 102 HG11 VAL 102 3.875 -9.441 -0.069 826 HG12 VAL 102 HG12 VAL 102 4.112 -8.518 1.410 827 HG13 VAL 102 HG13 VAL 102 3.009 -9.894 1.394 828 HG21 VAL 102 HG21 VAL 102 6.195 -9.073 0.160 829 HG22 VAL 102 HG22 VAL 102 6.405 -10.782 -0.246 830 HG23 VAL 102 HG23 VAL 102 7.176 -10.118 1.195 831 H PHE 103 HN PHE 103 4.724 -7.912 2.859 832 HA PHE 103 HA PHE 103 7.209 -6.668 2.726 833 HB2 PHE 103 HB2 PHE 103 5.495 -5.276 2.136 834 HB3 PHE 103 HB1 PHE 103 4.469 -5.757 3.482 835 HD1 PHE 103 HD1 PHE 103 7.787 -4.123 2.955 836 HD2 PHE 103 HD2 PHE 103 4.101 -4.116 5.105 837 HE1 PHE 103 HE1 PHE 103 8.499 -2.113 4.178 838 HE2 PHE 103 HE2 PHE 103 4.816 -2.111 6.320 839 HZ PHE 103 HZ PHE 103 7.014 -1.108 5.864 840 H GLU 104 HN GLU 104 5.361 -7.647 5.614 841 HA GLU 104 HA GLU 104 6.932 -6.474 7.575 842 HB2 GLU 104 HB2 GLU 104 4.849 -8.328 7.433 843 HB3 GLU 104 HB1 GLU 104 6.143 -9.164 8.275 844 HG2 GLU 104 HG2 GLU 104 5.425 -6.413 9.132 845 HG3 GLU 104 HG1 GLU 104 4.369 -7.755 9.542 846 H PHE 105 HN PHE 105 7.241 -9.792 6.287 847 HA PHE 105 HA PHE 105 9.610 -10.364 7.706 848 HB2 PHE 105 HB2 PHE 105 8.292 -11.639 5.327 849 HB3 PHE 105 HB1 PHE 105 9.834 -12.224 5.943 850 HD1 PHE 105 HD1 PHE 105 6.257 -12.099 6.460 851 HD2 PHE 105 HD2 PHE 105 9.985 -13.150 8.215 852 HE1 PHE 105 HE1 PHE 105 5.079 -13.450 8.144 853 HE2 PHE 105 HE2 PHE 105 8.816 -14.503 9.902 854 HZ PHE 105 HZ PHE 105 6.358 -14.653 9.868 855 H ARG 106 HN ARG 106 9.050 -8.844 4.615 856 HA ARG 106 HA ARG 106 11.702 -9.085 3.650 857 HB2 ARG 106 HB2 ARG 106 9.481 -7.150 3.001 858 HB3 ARG 106 HB1 ARG 106 11.023 -7.160 2.167 859 HG2 ARG 106 HG2 ARG 106 9.089 -9.458 2.275 860 HG3 ARG 106 HG1 ARG 106 9.287 -8.344 0.918 861 HD2 ARG 106 HD2 ARG 106 11.629 -9.059 0.711 862 HD3 ARG 106 HD1 ARG 106 11.384 -10.216 2.019 863 HE ARG 106 HE ARG 106 9.515 -10.517 -0.136 864 HH11 ARG 106 HH11 ARG 106 12.753 -11.369 0.940 865 HH12 ARG 106 HH12 ARG 106 12.851 -12.760 -0.094 866 HH21 ARG 106 HH21 ARG 106 9.661 -12.328 -1.478 867 HH22 ARG 106 HH22 ARG 106 11.097 -13.306 -1.462 868 H TYR 107 HN TYR 107 9.986 -6.491 5.372 869 HA TYR 107 HA TYR 107 12.328 -4.869 5.574 870 HB2 TYR 107 HB2 TYR 107 9.929 -4.028 5.734 871 HB3 TYR 107 HB1 TYR 107 9.903 -4.674 7.375 872 HD1 TYR 107 HD1 TYR 107 11.267 -2.058 5.196 873 HD2 TYR 107 HD2 TYR 107 11.215 -3.639 9.147 874 HE1 TYR 107 HE1 TYR 107 12.345 -0.021 6.026 875 HE2 TYR 107 HE2 TYR 107 12.282 -1.588 9.979 876 HH TYR 107 HH TYR 107 13.686 0.224 9.121 877 H ALA 108 HN ALA 108 10.970 -7.454 7.463 878 HA ALA 108 HA ALA 108 12.460 -7.000 9.837 879 HB1 ALA 108 HB1 ALA 108 10.419 -8.383 9.736 880 HB2 ALA 108 HB2 ALA 108 11.781 -9.225 10.476 881 HB3 ALA 108 HB3 ALA 108 11.313 -9.591 8.816 882 H LYS 109 HN LYS 109 13.009 -8.958 6.943 883 HA LYS 109 HA LYS 109 15.479 -10.067 7.822 884 HB2 LYS 109 HB2 LYS 109 13.787 -10.403 5.624 885 HB3 LYS 109 HB1 LYS 109 15.271 -9.755 4.942 886 HG2 LYS 109 HG2 LYS 109 15.376 -12.140 4.883 887 HG3 LYS 109 HG1 LYS 109 16.536 -11.550 6.077 888 HD2 LYS 109 HD2 LYS 109 15.361 -13.482 6.949 889 HD3 LYS 109 HD1 LYS 109 14.909 -12.045 7.861 890 HE2 LYS 109 HE2 LYS 109 12.827 -11.877 6.638 891 HE3 LYS 109 HE1 LYS 109 13.285 -13.244 5.625 892 HZ1 LYS 109 HZ1 LYS 109 13.244 -14.668 7.549 893 HZ2 LYS 109 HZ2 LYS 109 11.759 -13.880 7.401 894 HZ3 LYS 109 HZ3 LYS 109 12.876 -13.365 8.559 895 H MET 110 HN MET 110 14.507 -7.149 6.245 896 HA MET 110 HA MET 110 17.032 -6.246 5.375 897 HB2 MET 110 HB2 MET 110 15.085 -5.251 4.427 898 HB3 MET 110 HB1 MET 110 14.445 -4.828 6.006 899 HG2 MET 110 HG2 MET 110 17.034 -3.640 5.180 900 HG3 MET 110 HG1 MET 110 15.557 -3.038 4.435 901 HE1 MET 110 HE1 MET 110 16.026 -0.683 5.287 902 HE2 MET 110 HE2 MET 110 17.506 -1.160 6.128 903 HE3 MET 110 HE3 MET 110 16.271 -0.229 6.976 904 HA PRO 111 HA PRO 111 18.485 -4.930 9.417 905 HB2 PRO 111 HB2 PRO 111 21.046 -4.531 8.744 906 HB3 PRO 111 HB1 PRO 111 20.379 -6.151 8.962 907 HG2 PRO 111 HG2 PRO 111 21.057 -4.709 6.457 908 HG3 PRO 111 HG1 PRO 111 21.099 -6.445 6.801 909 HD2 PRO 111 HD2 PRO 111 19.075 -5.039 5.426 910 HD3 PRO 111 HD1 PRO 111 18.993 -6.723 6.013 911 H ASP 112 HN ASP 112 18.862 -2.967 10.325 912 HA ASP 112 HA ASP 112 19.065 -0.648 8.531 913 HB2 ASP 112 HB2 ASP 112 16.711 -0.893 9.069 914 HB3 ASP 112 HB1 ASP 112 17.081 -1.015 10.786 915 H1 HIS 281 HT1 HIS 281 -21.301 6.975 13.695 916 H2 HIS 281 HT2 HIS 281 -19.711 6.786 14.233 917 H3 HIS 281 HT3 HIS 281 -20.980 6.068 15.086 918 HA HIS 281 HA HIS 281 -19.800 4.425 13.805 919 HB2 HIS 281 HB2 HIS 281 -22.552 5.090 12.738 920 HB3 HIS 281 HB1 HIS 281 -21.724 3.566 12.453 921 HD1 HIS 281 HD1 HIS 281 -23.997 5.192 14.751 922 HD2 HIS 281 HD2 HIS 281 -21.211 2.115 14.971 923 HE1 HIS 281 HE1 HIS 281 -24.553 3.925 16.848 924 HE2 HIS 281 HE2 HIS 281 -22.836 2.091 16.982 925 H ASN 282 HN ASN 282 -21.568 6.498 11.510 926 HA ASN 282 HA ASN 282 -21.048 7.348 9.482 927 HB2 ASN 282 HB2 ASN 282 -18.170 6.832 10.268 928 HB3 ASN 282 HB1 ASN 282 -18.701 7.816 8.909 929 HD21 ASN 282 HD21 ASN 282 -19.690 9.815 9.318 930 HD22 ASN 282 HD22 ASN 282 -19.505 10.619 10.840 931 H LEU 283 HN LEU 283 -22.109 5.516 8.570 932 HA LEU 283 HA LEU 283 -20.640 3.228 7.747 933 HB2 LEU 283 HB2 LEU 283 -22.567 2.570 6.494 934 HB3 LEU 283 HB1 LEU 283 -23.104 3.221 8.026 935 HG LEU 283 HG LEU 283 -23.153 4.820 5.469 936 HD11 LEU 283 HD11 LEU 283 -24.518 2.840 5.158 937 HD12 LEU 283 HD12 LEU 283 -25.537 4.267 5.340 938 HD13 LEU 283 HD13 LEU 283 -25.342 3.146 6.686 939 HD21 LEU 283 HD21 LEU 283 -24.827 6.152 6.677 940 HD22 LEU 283 HD22 LEU 283 -23.264 6.156 7.492 941 HD23 LEU 283 HD23 LEU 283 -24.577 5.151 8.108 942 H LEU 284 HN LEU 284 -18.887 3.603 6.576 943 HA LEU 284 HA LEU 284 -18.757 5.571 4.517 944 HB2 LEU 284 HB2 LEU 284 -16.894 3.273 5.126 945 HB3 LEU 284 HB1 LEU 284 -16.547 4.597 4.030 946 HG LEU 284 HG LEU 284 -16.883 4.764 7.023 947 HD11 LEU 284 HD11 LEU 284 -14.556 5.510 6.965 948 HD12 LEU 284 HD12 LEU 284 -14.523 5.266 5.220 949 HD13 LEU 284 HD13 LEU 284 -14.736 3.888 6.299 950 HD21 LEU 284 HD21 LEU 284 -16.344 7.153 6.761 951 HD22 LEU 284 HD22 LEU 284 -17.891 6.722 6.033 952 HD23 LEU 284 HD23 LEU 284 -16.475 6.971 5.012 953 H ARG 285 HN ARG 285 -18.712 5.292 2.322 954 HA ARG 285 HA ARG 285 -20.406 3.257 1.286 955 HB2 ARG 285 HB2 ARG 285 -18.661 5.311 -0.088 956 HB3 ARG 285 HB1 ARG 285 -19.740 4.229 -0.950 957 HG2 ARG 285 HG2 ARG 285 -20.867 6.281 -0.775 958 HG3 ARG 285 HG1 ARG 285 -21.616 5.223 0.420 959 HD2 ARG 285 HD2 ARG 285 -20.246 6.251 2.172 960 HD3 ARG 285 HD1 ARG 285 -19.507 7.305 0.967 961 HE ARG 285 HE ARG 285 -22.309 7.590 0.884 962 HH11 ARG 285 HH11 ARG 285 -19.568 8.360 2.915 963 HH12 ARG 285 HH12 ARG 285 -20.303 9.766 3.607 964 HH21 ARG 285 HH21 ARG 285 -23.295 9.437 1.797 965 HH22 ARG 285 HH22 ARG 285 -22.434 10.375 2.974 966 H ILE 286 HN ILE 286 -19.706 1.214 1.232 967 HA ILE 286 HA ILE 286 -17.109 0.327 1.271 968 HB ILE 286 HB ILE 286 -17.907 -1.832 0.330 969 HG12 ILE 286 HG12 ILE 286 -19.732 -0.773 -1.104 970 HG13 ILE 286 HG11 ILE 286 -20.157 -2.245 -0.246 971 HG21 ILE 286 HG21 ILE 286 -19.504 -0.661 2.589 972 HG22 ILE 286 HG22 ILE 286 -17.929 -1.440 2.697 973 HG23 ILE 286 HG23 ILE 286 -19.347 -2.380 2.238 974 HD11 ILE 286 HD11 ILE 286 -21.247 -0.818 1.490 975 HD12 ILE 286 HD12 ILE 286 -21.992 -0.749 -0.105 976 HD13 ILE 286 HD13 ILE 286 -20.962 0.570 0.440 977 HH31 ALY 287 HH1 ALY 287 -6.936 1.443 -1.231 978 HH32 ALY 287 HH2 ALY 287 -6.891 2.518 0.169 979 HH33 ALY 287 HH3 ALY 287 -7.085 0.780 0.397 980 HZ ALY 287 HZ1 ALY 287 -8.974 0.810 -2.047 981 HE3 ALY 287 HE2 ALY 287 -11.198 2.381 -1.795 982 HE2 ALY 287 HE1 ALY 287 -11.433 1.075 -0.633 983 HD3 ALY 287 HD2 ALY 287 -11.271 -0.576 -2.359 984 HD2 ALY 287 HD1 ALY 287 -10.808 0.639 -3.549 985 HG3 ALY 287 HG2 ALY 287 -13.154 -0.037 -3.789 986 HG2 ALY 287 HG1 ALY 287 -12.999 1.673 -3.387 987 HB3 ALY 287 HB2 ALY 287 -13.545 1.230 -1.089 988 HB2 ALY 287 HB1 ALY 287 -13.563 -0.499 -1.386 989 HCA ALY 287 HA ALY 287 -15.480 1.437 -2.675 990 H ALY 287 HN ALY 287 -15.519 0.583 -0.042 991 H GLN 288 HN GLN 288 -15.872 0.399 -4.630 992 HA GLN 288 HA GLN 288 -16.849 -2.307 -4.611 993 HB2 GLN 288 HB2 GLN 288 -17.737 -0.594 -6.170 994 HB3 GLN 288 HB1 GLN 288 -16.169 -0.522 -6.959 995 HG2 GLN 288 HG2 GLN 288 -16.398 -2.896 -7.571 996 HG3 GLN 288 HG1 GLN 288 -18.005 -2.902 -6.845 997 HE21 GLN 288 HE21 GLN 288 -18.989 -3.422 -8.780 998 HE22 GLN 288 HE22 GLN 288 -19.164 -2.279 -10.065 999 H PHE 289 HN PHE 289 -15.139 -3.578 -3.878 1000 HA PHE 289 HA PHE 289 -12.840 -3.878 -5.650 1001 HB2 PHE 289 HB2 PHE 289 -12.803 -2.334 -3.229 1002 HB3 PHE 289 HB1 PHE 289 -11.761 -3.737 -3.051 1003 HD1 PHE 289 HD1 PHE 289 -12.458 -1.490 -5.957 1004 HD2 PHE 289 HD2 PHE 289 -9.617 -3.077 -3.231 1005 HE1 PHE 289 HE1 PHE 289 -10.662 -0.293 -7.140 1006 HE2 PHE 289 HE2 PHE 289 -7.817 -1.885 -4.386 1007 HZ PHE 289 HZ PHE 289 -8.334 -0.489 -6.359 1008 H LEU 290 HN LEU 290 -13.355 -6.026 -5.985 1009 HA LEU 290 HA LEU 290 -12.662 -7.761 -3.753 1010 HB2 LEU 290 HB2 LEU 290 -14.478 -9.338 -4.231 1011 HB3 LEU 290 HB1 LEU 290 -15.071 -7.790 -3.675 1012 HG LEU 290 HG LEU 290 -15.026 -8.521 -6.600 1013 HD11 LEU 290 HD11 LEU 290 -17.358 -9.179 -6.364 1014 HD12 LEU 290 HD12 LEU 290 -17.262 -8.936 -4.622 1015 HD13 LEU 290 HD13 LEU 290 -16.315 -10.211 -5.386 1016 HD21 LEU 290 HD21 LEU 290 -16.768 -6.818 -6.751 1017 HD22 LEU 290 HD22 LEU 290 -15.292 -6.143 -6.060 1018 HD23 LEU 290 HD23 LEU 290 -16.657 -6.537 -5.014 1019 H GLN 291 HN GLN 291 -13.548 -7.733 -7.196 1020 HA GLN 291 HA GLN 291 -11.066 -9.135 -7.801 1021 HB2 GLN 291 HB2 GLN 291 -13.817 -10.166 -8.434 1022 HB3 GLN 291 HB1 GLN 291 -12.467 -10.537 -9.496 1023 HG2 GLN 291 HG2 GLN 291 -12.488 -11.136 -6.549 1024 HG3 GLN 291 HG1 GLN 291 -12.992 -12.282 -7.788 1025 HE21 GLN 291 HE21 GLN 291 -11.357 -13.723 -7.202 1026 HE22 GLN 291 HE22 GLN 291 -9.702 -13.453 -7.627 1027 H SER 292 HN SER 292 -10.179 -8.517 -9.713 1028 HA SER 292 HA SER 292 -11.752 -6.847 -11.515 1029 HB2 SER 292 HB2 SER 292 -10.641 -5.397 -9.734 1030 HB3 SER 292 HB1 SER 292 -9.098 -5.885 -10.430 1031 HG SER 292 HG SER 292 -11.020 -4.903 -12.190 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 20.537 13.469 -4.885 2 H2 GLY 1 HT2 GLY 1 19.739 12.289 -5.794 3 H3 GLY 1 HT3 GLY 1 21.427 12.386 -5.829 4 HA2 GLY 1 HA1 GLY 1 21.536 11.800 -3.488 5 HA3 GLY 1 HA2 GLY 1 19.783 11.675 -3.469 6 H LYS 2 HN LYS 2 22.333 9.817 -3.328 7 HA LYS 2 HA LYS 2 21.558 7.841 -5.320 8 HB2 LYS 2 HB2 LYS 2 23.870 8.077 -3.426 9 HB3 LYS 2 HB1 LYS 2 23.504 6.566 -4.247 10 HG2 LYS 2 HG2 LYS 2 23.988 9.177 -5.654 11 HG3 LYS 2 HG1 LYS 2 25.216 7.936 -5.393 12 HD2 LYS 2 HD2 LYS 2 22.611 7.394 -6.806 13 HD3 LYS 2 HD1 LYS 2 24.062 7.909 -7.647 14 HE2 LYS 2 HE2 LYS 2 23.838 5.443 -5.926 15 HE3 LYS 2 HE1 LYS 2 23.744 5.456 -7.685 16 HZ1 LYS 2 HZ1 LYS 2 25.948 4.851 -6.913 17 HZ2 LYS 2 HZ2 LYS 2 26.090 6.315 -6.081 18 HZ3 LYS 2 HZ3 LYS 2 25.997 6.309 -7.769 19 H LEU 3 HN LEU 3 20.982 5.723 -4.822 20 HA LEU 3 HA LEU 3 19.438 5.414 -2.404 21 HB2 LEU 3 HB2 LEU 3 20.038 3.457 -4.633 22 HB3 LEU 3 HB1 LEU 3 18.934 3.163 -3.298 23 HG LEU 3 HG LEU 3 18.541 5.375 -5.309 24 HD11 LEU 3 HD11 LEU 3 17.373 2.592 -5.232 25 HD12 LEU 3 HD12 LEU 3 18.470 3.238 -6.455 26 HD13 LEU 3 HD13 LEU 3 16.841 3.893 -6.298 27 HD21 LEU 3 HD21 LEU 3 17.427 5.692 -3.141 28 HD22 LEU 3 HD22 LEU 3 16.682 4.101 -3.298 29 HD23 LEU 3 HD23 LEU 3 16.264 5.385 -4.432 30 H SER 4 HN SER 4 20.676 5.190 -0.622 31 HA SER 4 HA SER 4 23.025 3.590 -0.506 32 HB2 SER 4 HB2 SER 4 21.265 4.558 1.762 33 HB3 SER 4 HB1 SER 4 22.934 4.002 1.894 34 HG SER 4 HG SER 4 21.969 6.444 1.178 35 H GLU 5 HN GLU 5 22.951 1.819 1.467 36 HA GLU 5 HA GLU 5 21.795 -0.417 0.330 37 HB2 GLU 5 HB2 GLU 5 22.561 0.070 3.202 38 HB3 GLU 5 HB1 GLU 5 22.061 -1.500 2.592 39 HG2 GLU 5 HG2 GLU 5 23.926 -1.402 0.967 40 HG3 GLU 5 HG1 GLU 5 24.459 0.094 1.730 41 H GLN 6 HN GLN 6 20.474 1.578 2.947 42 HA GLN 6 HA GLN 6 18.199 0.006 3.448 43 HB2 GLN 6 HB2 GLN 6 18.714 2.952 3.866 44 HB3 GLN 6 HB1 GLN 6 17.221 2.166 4.360 45 HG2 GLN 6 HG2 GLN 6 18.861 2.494 6.186 46 HG3 GLN 6 HG1 GLN 6 18.353 0.822 5.957 47 HE21 GLN 6 HE21 GLN 6 19.848 -0.684 5.232 48 HE22 GLN 6 HE22 GLN 6 21.546 -0.360 5.216 49 H LEU 7 HN LEU 7 18.695 2.754 1.242 50 HA LEU 7 HA LEU 7 15.941 2.733 0.426 51 HB2 LEU 7 HB2 LEU 7 18.311 4.235 -0.677 52 HB3 LEU 7 HB1 LEU 7 16.655 4.464 -1.212 53 HG LEU 7 HG LEU 7 17.612 4.940 1.598 54 HD11 LEU 7 HD11 LEU 7 18.596 6.526 0.011 55 HD12 LEU 7 HD12 LEU 7 17.427 7.307 1.074 56 HD13 LEU 7 HD13 LEU 7 16.985 6.917 -0.587 57 HD21 LEU 7 HD21 LEU 7 15.325 4.448 1.718 58 HD22 LEU 7 HD22 LEU 7 14.979 5.309 0.220 59 HD23 LEU 7 HD23 LEU 7 15.406 6.209 1.673 60 H LYS 8 HN LYS 8 18.881 1.257 -0.673 61 HA LYS 8 HA LYS 8 17.831 0.487 -3.225 62 HB2 LYS 8 HB2 LYS 8 20.254 0.607 -2.815 63 HB3 LYS 8 HB1 LYS 8 20.109 -0.670 -1.620 64 HG2 LYS 8 HG2 LYS 8 20.988 -1.466 -3.773 65 HG3 LYS 8 HG1 LYS 8 19.484 -2.258 -3.309 66 HD2 LYS 8 HD2 LYS 8 19.483 -1.706 -5.682 67 HD3 LYS 8 HD1 LYS 8 18.242 -0.798 -4.824 68 HE2 LYS 8 HE2 LYS 8 19.358 0.641 -6.407 69 HE3 LYS 8 HE1 LYS 8 19.745 1.152 -4.766 70 HZ1 LYS 8 HZ1 LYS 8 21.876 0.076 -4.945 71 HZ2 LYS 8 HZ2 LYS 8 21.681 1.144 -6.241 72 HZ3 LYS 8 HZ3 LYS 8 21.502 -0.519 -6.482 73 H HIS 9 HN HIS 9 17.948 -0.865 -0.001 74 HA HIS 9 HA HIS 9 16.805 -3.370 -0.700 75 HB2 HIS 9 HB2 HIS 9 18.024 -2.556 1.519 76 HB3 HIS 9 HB1 HIS 9 16.372 -2.207 2.016 77 HD1 HIS 9 HD1 HIS 9 18.767 -4.783 2.247 78 HD2 HIS 9 HD2 HIS 9 14.689 -4.710 1.451 79 HE1 HIS 9 HE1 HIS 9 17.943 -7.109 2.708 80 HE2 HIS 9 HE2 HIS 9 15.520 -7.084 2.030 81 H CYS 10 HN CYS 10 15.485 -0.223 0.248 82 HA CYS 10 HA CYS 10 12.807 -1.135 0.482 83 HB2 CYS 10 HB2 CYS 10 12.142 1.140 0.623 84 HB3 CYS 10 HB1 CYS 10 13.718 1.059 1.413 85 HG CYS 10 HG CYS 10 14.564 1.823 -1.523 86 H ASN 11 HN ASN 11 14.798 -0.123 -2.179 87 HA ASN 11 HA ASN 11 12.764 0.168 -4.117 88 HB2 ASN 11 HB2 ASN 11 15.091 0.947 -4.452 89 HB3 ASN 11 HB1 ASN 11 15.635 -0.726 -4.481 90 HD21 ASN 11 HD21 ASN 11 14.020 1.789 -6.208 91 HD22 ASN 11 HD22 ASN 11 13.971 0.991 -7.741 92 H GLY 12 HN GLY 12 14.673 -2.573 -2.989 93 HA2 GLY 12 HA2 GLY 12 13.730 -4.429 -4.934 94 HA3 GLY 12 HA1 GLY 12 14.572 -4.828 -3.441 95 H ILE 13 HN ILE 13 12.791 -3.740 -1.591 96 HA ILE 13 HA ILE 13 10.886 -5.781 -1.304 97 HB ILE 13 HB ILE 13 11.011 -3.056 -0.036 98 HG12 ILE 13 HG12 ILE 13 11.724 -5.754 1.104 99 HG13 ILE 13 HG11 ILE 13 12.904 -4.647 0.420 100 HG21 ILE 13 HG21 ILE 13 9.077 -5.239 0.289 101 HG22 ILE 13 HG22 ILE 13 8.836 -3.503 0.388 102 HG23 ILE 13 HG23 ILE 13 9.573 -4.373 1.735 103 HD11 ILE 13 HD11 ILE 13 11.308 -4.409 2.932 104 HD12 ILE 13 HD12 ILE 13 12.020 -2.987 2.172 105 HD13 ILE 13 HD13 ILE 13 13.054 -4.310 2.710 106 H LEU 14 HN LEU 14 10.439 -2.371 -2.208 107 HA LEU 14 HA LEU 14 7.736 -2.383 -2.773 108 HB2 LEU 14 HB2 LEU 14 9.705 -0.543 -2.880 109 HB3 LEU 14 HB1 LEU 14 9.512 -0.864 -4.589 110 HG LEU 14 HG LEU 14 7.248 -0.062 -2.787 111 HD11 LEU 14 HD11 LEU 14 9.184 1.524 -4.424 112 HD12 LEU 14 HD12 LEU 14 8.733 1.748 -2.732 113 HD13 LEU 14 HD13 LEU 14 7.586 2.148 -4.011 114 HD21 LEU 14 HD21 LEU 14 6.745 -1.245 -4.981 115 HD22 LEU 14 HD22 LEU 14 7.483 0.146 -5.780 116 HD23 LEU 14 HD23 LEU 14 6.046 0.367 -4.787 117 H LYS 15 HN LYS 15 10.466 -3.051 -4.917 118 HA LYS 15 HA LYS 15 9.140 -3.451 -7.294 119 HB2 LYS 15 HB2 LYS 15 11.393 -3.338 -7.589 120 HB3 LYS 15 HB1 LYS 15 11.734 -4.201 -6.097 121 HG2 LYS 15 HG2 LYS 15 12.454 -5.631 -7.759 122 HG3 LYS 15 HG1 LYS 15 10.876 -6.248 -7.297 123 HD2 LYS 15 HD2 LYS 15 9.896 -4.996 -9.215 124 HD3 LYS 15 HD1 LYS 15 11.542 -4.607 -9.726 125 HE2 LYS 15 HE2 LYS 15 11.997 -7.075 -9.724 126 HE3 LYS 15 HE1 LYS 15 10.267 -7.320 -9.503 127 HZ1 LYS 15 HZ1 LYS 15 9.842 -6.188 -11.565 128 HZ2 LYS 15 HZ2 LYS 15 10.936 -7.450 -11.840 129 HZ3 LYS 15 HZ3 LYS 15 11.485 -5.851 -11.776 130 H GLU 16 HN GLU 16 9.745 -5.637 -4.645 131 HA GLU 16 HA GLU 16 8.915 -7.971 -6.027 132 HB2 GLU 16 HB2 GLU 16 10.399 -8.135 -4.076 133 HB3 GLU 16 HB1 GLU 16 9.135 -7.471 -3.045 134 HG2 GLU 16 HG2 GLU 16 7.760 -9.524 -3.868 135 HG3 GLU 16 HG1 GLU 16 9.335 -10.184 -4.272 136 H LEU 17 HN LEU 17 7.338 -5.840 -3.694 137 HA LEU 17 HA LEU 17 4.839 -7.176 -3.637 138 HB2 LEU 17 HB2 LEU 17 5.444 -4.239 -3.212 139 HB3 LEU 17 HB1 LEU 17 3.970 -5.048 -2.737 140 HG LEU 17 HG LEU 17 6.605 -5.956 -1.632 141 HD11 LEU 17 HD11 LEU 17 6.413 -3.520 -1.307 142 HD12 LEU 17 HD12 LEU 17 6.359 -4.422 0.204 143 HD13 LEU 17 HD13 LEU 17 4.873 -3.771 -0.490 144 HD21 LEU 17 HD21 LEU 17 4.658 -7.375 -1.236 145 HD22 LEU 17 HD22 LEU 17 3.773 -5.999 -0.587 146 HD23 LEU 17 HD23 LEU 17 5.188 -6.616 0.262 147 H LEU 18 HN LEU 18 6.354 -5.114 -5.943 148 HA LEU 18 HA LEU 18 3.911 -4.624 -7.449 149 HB2 LEU 18 HB2 LEU 18 6.783 -3.860 -7.879 150 HB3 LEU 18 HB1 LEU 18 5.526 -3.528 -9.047 151 HG LEU 18 HG LEU 18 5.641 -2.463 -6.234 152 HD11 LEU 18 HD11 LEU 18 7.292 -1.389 -7.507 153 HD12 LEU 18 HD12 LEU 18 5.909 -0.292 -7.493 154 HD13 LEU 18 HD13 LEU 18 6.244 -1.272 -8.922 155 HD21 LEU 18 HD21 LEU 18 3.661 -1.358 -6.600 156 HD22 LEU 18 HD22 LEU 18 3.343 -2.899 -7.382 157 HD23 LEU 18 HD23 LEU 18 3.772 -1.492 -8.351 158 H SER 19 HN SER 19 6.218 -7.043 -7.238 159 HA SER 19 HA SER 19 6.327 -7.801 -9.993 160 HB2 SER 19 HB2 SER 19 6.986 -9.401 -7.508 161 HB3 SER 19 HB1 SER 19 7.406 -9.850 -9.163 162 HG SER 19 HG SER 19 8.188 -7.337 -8.156 163 H LYS 20 HN LYS 20 5.383 -9.591 -10.973 164 HA LYS 20 HA LYS 20 2.628 -9.770 -10.603 165 HB2 LYS 20 HB2 LYS 20 4.560 -11.390 -12.236 166 HB3 LYS 20 HB1 LYS 20 2.829 -11.719 -12.244 167 HG2 LYS 20 HG2 LYS 20 3.953 -9.006 -12.830 168 HG3 LYS 20 HG1 LYS 20 3.698 -10.221 -14.086 169 HD2 LYS 20 HD2 LYS 20 1.328 -10.295 -13.556 170 HD3 LYS 20 HD1 LYS 20 1.566 -9.161 -12.227 171 HE2 LYS 20 HE2 LYS 20 0.649 -8.048 -14.200 172 HE3 LYS 20 HE1 LYS 20 2.253 -7.435 -13.806 173 HZ1 LYS 20 HZ1 LYS 20 1.962 -7.819 -16.185 174 HZ2 LYS 20 HZ2 LYS 20 1.668 -9.460 -15.896 175 HZ3 LYS 20 HZ3 LYS 20 3.182 -8.800 -15.544 176 H LYS 21 HN LYS 21 5.159 -11.589 -9.165 177 HA LYS 21 HA LYS 21 3.867 -13.909 -8.367 178 HB2 LYS 21 HB2 LYS 21 6.202 -13.657 -7.939 179 HB3 LYS 21 HB1 LYS 21 5.943 -12.206 -6.994 180 HG2 LYS 21 HG2 LYS 21 4.798 -13.545 -5.285 181 HG3 LYS 21 HG1 LYS 21 5.143 -15.004 -6.207 182 HD2 LYS 21 HD2 LYS 21 7.583 -14.365 -6.055 183 HD3 LYS 21 HD1 LYS 21 7.083 -13.152 -4.869 184 HE2 LYS 21 HE2 LYS 21 7.680 -15.026 -3.586 185 HE3 LYS 21 HE1 LYS 21 5.918 -15.046 -3.670 186 HZ1 LYS 21 HZ1 LYS 21 7.718 -16.681 -5.360 187 HZ2 LYS 21 HZ2 LYS 21 6.029 -16.697 -5.405 188 HZ3 LYS 21 HZ3 LYS 21 6.841 -17.242 -4.026 189 H HIS 22 HN HIS 22 3.628 -10.635 -7.070 190 HA HIS 22 HA HIS 22 1.760 -11.650 -5.025 191 HB2 HIS 22 HB2 HIS 22 3.307 -9.035 -5.065 192 HB3 HIS 22 HB1 HIS 22 2.164 -9.519 -3.807 193 HD1 HIS 22 HD1 HIS 22 2.902 -11.605 -2.296 194 HD2 HIS 22 HD2 HIS 22 5.849 -10.009 -4.765 195 HE1 HIS 22 HE1 HIS 22 5.071 -12.480 -1.382 196 HE2 HIS 22 HE2 HIS 22 6.844 -11.244 -2.699 197 H ALA 23 HN ALA 23 1.935 -9.984 -7.934 198 HA ALA 23 HA ALA 23 0.204 -7.871 -7.791 199 HB1 ALA 23 HB1 ALA 23 1.516 -8.510 -9.750 200 HB2 ALA 23 HB2 ALA 23 -0.163 -8.154 -10.154 201 HB3 ALA 23 HB3 ALA 23 0.386 -9.828 -10.067 202 H ALA 24 HN ALA 24 -0.618 -11.266 -7.985 203 HA ALA 24 HA ALA 24 -3.302 -11.170 -8.634 204 HB1 ALA 24 HB1 ALA 24 -1.709 -13.052 -6.928 205 HB2 ALA 24 HB2 ALA 24 -2.234 -13.260 -8.599 206 HB3 ALA 24 HB3 ALA 24 -3.413 -13.326 -7.289 207 H TYR 25 HN TYR 25 -1.770 -10.235 -5.676 208 HA TYR 25 HA TYR 25 -4.371 -9.440 -4.613 209 HB2 TYR 25 HB2 TYR 25 -3.504 -10.215 -2.294 210 HB3 TYR 25 HB1 TYR 25 -4.168 -11.418 -3.395 211 HD1 TYR 25 HD1 TYR 25 -0.951 -9.980 -2.204 212 HD2 TYR 25 HD2 TYR 25 -2.932 -13.292 -3.992 213 HE1 TYR 25 HE1 TYR 25 1.098 -11.324 -1.995 214 HE2 TYR 25 HE2 TYR 25 -0.883 -14.636 -3.794 215 HH TYR 25 HH TYR 25 1.491 -14.327 -3.587 216 H ALA 26 HN ALA 26 -1.830 -8.254 -5.797 217 HA ALA 26 HA ALA 26 -1.273 -6.328 -3.634 218 HB1 ALA 26 HB1 ALA 26 0.736 -7.571 -4.368 219 HB2 ALA 26 HB2 ALA 26 0.851 -5.847 -4.729 220 HB3 ALA 26 HB3 ALA 26 0.465 -6.989 -6.012 221 H TRP 27 HN TRP 27 -2.794 -6.734 -6.631 222 HA TRP 27 HA TRP 27 -2.230 -4.352 -7.925 223 HB2 TRP 27 HB2 TRP 27 -4.380 -4.655 -9.147 224 HB3 TRP 27 HB1 TRP 27 -3.339 -6.070 -9.145 225 HD1 TRP 27 HD1 TRP 27 -4.252 -8.256 -7.964 226 HE1 TRP 27 HE1 TRP 27 -6.581 -8.947 -7.126 227 HE3 TRP 27 HE3 TRP 27 -6.547 -3.678 -8.045 228 HZ2 TRP 27 HZ2 TRP 27 -9.061 -7.724 -6.583 229 HZ3 TRP 27 HZ3 TRP 27 -8.901 -3.536 -7.364 230 HH2 TRP 27 HH2 TRP 27 -10.131 -5.516 -6.644 231 HA PRO 28 HA PRO 28 -6.068 -2.376 -5.436 232 HB2 PRO 28 HB2 PRO 28 -5.336 -2.869 -2.730 233 HB3 PRO 28 HB1 PRO 28 -6.839 -3.325 -3.527 234 HG2 PRO 28 HG2 PRO 28 -4.495 -4.951 -2.873 235 HG3 PRO 28 HG1 PRO 28 -6.142 -5.464 -3.275 236 HD2 PRO 28 HD2 PRO 28 -3.982 -5.791 -4.933 237 HD3 PRO 28 HD1 PRO 28 -5.656 -5.690 -5.498 238 H PHE 29 HN PHE 29 -2.701 -2.838 -4.701 239 HA PHE 29 HA PHE 29 -2.566 -0.139 -3.517 240 HB2 PHE 29 HB2 PHE 29 -0.317 -2.074 -3.209 241 HB3 PHE 29 HB1 PHE 29 -0.883 -0.818 -2.106 242 HD1 PHE 29 HD1 PHE 29 -0.768 -4.270 -2.724 243 HD2 PHE 29 HD2 PHE 29 -3.276 -1.238 -1.095 244 HE1 PHE 29 HE1 PHE 29 -2.011 -5.972 -1.470 245 HE2 PHE 29 HE2 PHE 29 -4.520 -2.945 0.161 246 HZ PHE 29 HZ PHE 29 -3.886 -5.313 -0.032 247 H TYR 30 HN TYR 30 -1.773 -1.863 -6.288 248 HA TYR 30 HA TYR 30 0.642 -0.703 -7.082 249 HB2 TYR 30 HB2 TYR 30 -1.755 -1.661 -8.628 250 HB3 TYR 30 HB1 TYR 30 -0.399 -0.911 -9.454 251 HD1 TYR 30 HD1 TYR 30 0.430 -2.772 -6.510 252 HD2 TYR 30 HD2 TYR 30 -0.214 -3.113 -10.687 253 HE1 TYR 30 HE1 TYR 30 1.635 -4.907 -6.506 254 HE2 TYR 30 HE2 TYR 30 0.982 -5.258 -10.700 255 HH TYR 30 HH TYR 30 1.980 -6.815 -7.732 256 H LYS 31 HN LYS 31 -2.670 0.441 -7.759 257 HA LYS 31 HA LYS 31 -1.584 3.140 -8.166 258 HB2 LYS 31 HB2 LYS 31 -3.825 1.883 -9.748 259 HB3 LYS 31 HB1 LYS 31 -3.055 3.437 -10.057 260 HG2 LYS 31 HG2 LYS 31 -0.918 2.057 -10.482 261 HG3 LYS 31 HG1 LYS 31 -2.003 0.670 -10.546 262 HD2 LYS 31 HD2 LYS 31 -3.317 1.853 -12.292 263 HD3 LYS 31 HD1 LYS 31 -2.093 3.122 -12.292 264 HE2 LYS 31 HE2 LYS 31 -1.698 1.560 -14.110 265 HE3 LYS 31 HE1 LYS 31 -0.394 1.476 -12.926 266 HZ1 LYS 31 HZ1 LYS 31 -1.151 -0.716 -13.697 267 HZ2 LYS 31 HZ2 LYS 31 -2.682 -0.415 -13.045 268 HZ3 LYS 31 HZ3 LYS 31 -1.333 -0.522 -12.028 269 HA PRO 32 HA PRO 32 -4.770 4.643 -5.396 270 HB2 PRO 32 HB2 PRO 32 -5.834 6.684 -6.968 271 HB3 PRO 32 HB1 PRO 32 -4.428 6.845 -5.912 272 HG2 PRO 32 HG2 PRO 32 -4.532 6.311 -8.858 273 HG3 PRO 32 HG1 PRO 32 -3.454 7.391 -7.950 274 HD2 PRO 32 HD2 PRO 32 -2.553 5.049 -8.767 275 HD3 PRO 32 HD1 PRO 32 -2.181 5.617 -7.122 276 H VAL 33 HN VAL 33 -6.793 3.995 -4.990 277 HA VAL 33 HA VAL 33 -8.308 2.506 -6.802 278 HB VAL 33 HB VAL 33 -9.862 2.213 -5.156 279 HG11 VAL 33 HG11 VAL 33 -7.752 1.678 -4.159 280 HG12 VAL 33 HG12 VAL 33 -8.835 2.334 -2.936 281 HG13 VAL 33 HG13 VAL 33 -7.551 3.338 -3.607 282 HG21 VAL 33 HG21 VAL 33 -11.072 4.102 -4.855 283 HG22 VAL 33 HG22 VAL 33 -9.640 5.125 -4.696 284 HG23 VAL 33 HG23 VAL 33 -10.165 4.128 -3.339 285 H ASP 34 HN ASP 34 -10.128 2.966 -8.005 286 HA ASP 34 HA ASP 34 -10.223 5.703 -8.985 287 HB2 ASP 34 HB2 ASP 34 -11.703 3.219 -9.918 288 HB3 ASP 34 HB1 ASP 34 -11.789 4.796 -10.693 289 H ALA 35 HN ALA 35 -10.960 6.322 -6.806 290 HA ALA 35 HA ALA 35 -13.133 5.365 -5.457 291 HB1 ALA 35 HB1 ALA 35 -12.779 7.039 -3.995 292 HB2 ALA 35 HB2 ALA 35 -12.704 8.274 -5.255 293 HB3 ALA 35 HB3 ALA 35 -11.306 7.241 -4.949 294 H SER 36 HN SER 36 -13.148 7.957 -7.879 295 HA SER 36 HA SER 36 -15.856 8.666 -7.578 296 HB2 SER 36 HB2 SER 36 -14.178 10.046 -8.771 297 HB3 SER 36 HB1 SER 36 -14.124 8.837 -10.052 298 HG SER 36 HG SER 36 -16.418 10.318 -9.260 299 H ALA 37 HN ALA 37 -14.242 6.226 -9.518 300 HA ALA 37 HA ALA 37 -16.544 5.504 -11.037 301 HB1 ALA 37 HB1 ALA 37 -13.926 4.080 -10.613 302 HB2 ALA 37 HB2 ALA 37 -14.343 5.151 -11.949 303 HB3 ALA 37 HB3 ALA 37 -15.158 3.597 -11.776 304 H LEU 38 HN LEU 38 -15.180 4.431 -7.978 305 HA LEU 38 HA LEU 38 -17.063 2.196 -7.927 306 HB2 LEU 38 HB2 LEU 38 -15.405 2.721 -5.547 307 HB3 LEU 38 HB1 LEU 38 -16.040 1.240 -6.146 308 HG LEU 38 HG LEU 38 -14.230 1.967 -8.103 309 HD11 LEU 38 HD11 LEU 38 -12.869 2.328 -5.425 310 HD12 LEU 38 HD12 LEU 38 -13.396 3.687 -6.422 311 HD13 LEU 38 HD13 LEU 38 -12.204 2.553 -7.046 312 HD21 LEU 38 HD21 LEU 38 -14.138 0.145 -5.741 313 HD22 LEU 38 HD22 LEU 38 -12.910 0.129 -7.010 314 HD23 LEU 38 HD23 LEU 38 -14.589 -0.253 -7.401 315 H GLY 39 HN GLY 39 -17.519 5.271 -7.542 316 HA2 GLY 39 HA2 GLY 39 -19.350 6.381 -6.664 317 HA3 GLY 39 HA1 GLY 39 -19.857 4.872 -5.923 318 H LEU 40 HN LEU 40 -16.659 5.793 -5.263 319 HA LEU 40 HA LEU 40 -17.366 6.288 -2.496 320 HB2 LEU 40 HB2 LEU 40 -14.584 6.172 -3.600 321 HB3 LEU 40 HB1 LEU 40 -15.134 5.809 -1.978 322 HG LEU 40 HG LEU 40 -15.477 4.139 -4.443 323 HD11 LEU 40 HD11 LEU 40 -13.364 3.804 -3.519 324 HD12 LEU 40 HD12 LEU 40 -14.335 2.462 -2.951 325 HD13 LEU 40 HD13 LEU 40 -13.980 3.806 -1.873 326 HD21 LEU 40 HD21 LEU 40 -16.762 3.798 -1.751 327 HD22 LEU 40 HD22 LEU 40 -16.631 2.508 -2.938 328 HD23 LEU 40 HD23 LEU 40 -17.560 3.959 -3.309 329 H HIS 41 HN HIS 41 -18.204 8.374 -2.632 330 HA HIS 41 HA HIS 41 -16.620 10.498 -3.818 331 HB2 HIS 41 HB2 HIS 41 -19.187 10.772 -2.246 332 HB3 HIS 41 HB1 HIS 41 -18.499 11.923 -3.377 333 HD1 HIS 41 HD1 HIS 41 -18.798 11.463 -5.897 334 HD2 HIS 41 HD2 HIS 41 -20.671 8.657 -3.441 335 HE1 HIS 41 HE1 HIS 41 -20.306 10.138 -7.401 336 HE2 HIS 41 HE2 HIS 41 -21.561 8.585 -5.867 337 H ASP 42 HN ASP 42 -16.528 8.895 -0.983 338 HA ASP 42 HA ASP 42 -15.908 11.261 0.647 339 HB2 ASP 42 HB2 ASP 42 -16.866 8.521 1.443 340 HB3 ASP 42 HB1 ASP 42 -16.375 9.754 2.593 341 H TYR 43 HN TYR 43 -14.157 9.502 -1.196 342 HA TYR 43 HA TYR 43 -12.654 7.793 0.468 343 HB2 TYR 43 HB2 TYR 43 -12.815 7.376 -1.910 344 HB3 TYR 43 HB1 TYR 43 -12.008 8.883 -2.285 345 HD1 TYR 43 HD1 TYR 43 -11.559 5.516 -0.914 346 HD2 TYR 43 HD2 TYR 43 -9.605 9.035 -2.247 347 HE1 TYR 43 HE1 TYR 43 -9.437 4.300 -0.944 348 HE2 TYR 43 HE2 TYR 43 -7.460 7.831 -2.279 349 HH TYR 43 HH TYR 43 -6.438 5.837 -1.218 350 H HIS 44 HN HIS 44 -12.077 11.135 -0.567 351 HA HIS 44 HA HIS 44 -9.427 11.062 0.621 352 HB2 HIS 44 HB2 HIS 44 -10.941 13.201 -0.856 353 HB3 HIS 44 HB1 HIS 44 -9.410 13.530 -0.050 354 HD1 HIS 44 HD1 HIS 44 -7.285 12.756 -1.203 355 HD2 HIS 44 HD2 HIS 44 -10.746 11.444 -3.092 356 HE1 HIS 44 HE1 HIS 44 -6.531 11.781 -3.395 357 HE2 HIS 44 HE2 HIS 44 -8.656 11.153 -4.589 358 H ASP 45 HN ASP 45 -12.495 11.503 1.773 359 HA ASP 45 HA ASP 45 -11.737 13.405 3.839 360 HB2 ASP 45 HB2 ASP 45 -14.329 11.958 3.292 361 HB3 ASP 45 HB1 ASP 45 -14.086 13.046 4.653 362 H ILE 46 HN ILE 46 -12.104 9.992 3.384 363 HA ILE 46 HA ILE 46 -11.741 9.484 6.233 364 HB ILE 46 HB ILE 46 -12.304 7.666 3.892 365 HG12 ILE 46 HG12 ILE 46 -14.196 6.970 5.326 366 HG13 ILE 46 HG11 ILE 46 -13.737 8.190 6.507 367 HG21 ILE 46 HG21 ILE 46 -10.832 6.283 5.010 368 HG22 ILE 46 HG22 ILE 46 -12.357 5.861 5.777 369 HG23 ILE 46 HG23 ILE 46 -11.232 6.948 6.588 370 HD11 ILE 46 HD11 ILE 46 -14.540 8.777 3.669 371 HD12 ILE 46 HD12 ILE 46 -14.238 9.945 4.956 372 HD13 ILE 46 HD13 ILE 46 -15.620 8.855 5.060 373 H ILE 47 HN ILE 47 -10.128 8.942 3.134 374 HA ILE 47 HA ILE 47 -7.754 7.925 4.440 375 HB ILE 47 HB ILE 47 -8.128 8.626 1.531 376 HG12 ILE 47 HG12 ILE 47 -9.787 6.940 2.357 377 HG13 ILE 47 HG11 ILE 47 -8.699 6.324 1.119 378 HG21 ILE 47 HG21 ILE 47 -6.317 6.762 1.424 379 HG22 ILE 47 HG22 ILE 47 -6.034 7.206 3.104 380 HG23 ILE 47 HG23 ILE 47 -5.859 8.412 1.831 381 HD11 ILE 47 HD11 ILE 47 -8.467 5.859 4.073 382 HD12 ILE 47 HD12 ILE 47 -7.374 5.236 2.840 383 HD13 ILE 47 HD13 ILE 47 -9.049 4.706 2.875 384 H LYS 48 HN LYS 48 -6.581 9.413 5.502 385 HA LYS 48 HA LYS 48 -6.370 12.105 4.453 386 HB2 LYS 48 HB2 LYS 48 -5.443 10.842 7.023 387 HB3 LYS 48 HB1 LYS 48 -5.082 12.507 6.585 388 HG2 LYS 48 HG2 LYS 48 -7.847 11.347 6.833 389 HG3 LYS 48 HG1 LYS 48 -7.038 12.325 8.062 390 HD2 LYS 48 HD2 LYS 48 -7.097 14.248 6.717 391 HD3 LYS 48 HD1 LYS 48 -7.416 13.320 5.259 392 HE2 LYS 48 HE2 LYS 48 -9.604 12.771 6.025 393 HE3 LYS 48 HE1 LYS 48 -9.328 13.614 7.550 394 HZ1 LYS 48 HZ1 LYS 48 -10.591 14.979 6.010 395 HZ2 LYS 48 HZ2 LYS 48 -9.369 14.853 4.848 396 HZ3 LYS 48 HZ3 LYS 48 -9.077 15.674 6.296 397 H HIS 49 HN HIS 49 -4.425 9.249 4.770 398 HA HIS 49 HA HIS 49 -2.298 10.631 3.270 399 HB2 HIS 49 HB2 HIS 49 -2.069 8.445 5.327 400 HB3 HIS 49 HB1 HIS 49 -0.781 8.787 4.179 401 HD1 HIS 49 HD1 HIS 49 0.649 10.862 4.587 402 HD2 HIS 49 HD2 HIS 49 -2.485 10.449 7.286 403 HE1 HIS 49 HE1 HIS 49 1.105 12.529 6.413 404 HE2 HIS 49 HE2 HIS 49 -0.898 12.384 7.936 405 HA PRO 50 HA PRO 50 -4.060 7.240 0.568 406 HB2 PRO 50 HB2 PRO 50 -4.259 8.801 -1.661 407 HB3 PRO 50 HB1 PRO 50 -5.573 8.600 -0.497 408 HG2 PRO 50 HG2 PRO 50 -3.606 10.835 -0.769 409 HG3 PRO 50 HG1 PRO 50 -5.349 10.902 -0.440 410 HD2 PRO 50 HD2 PRO 50 -3.498 11.185 1.519 411 HD3 PRO 50 HD1 PRO 50 -5.076 10.416 1.806 412 H MET 51 HN MET 51 -2.266 6.067 0.270 413 HA MET 51 HA MET 51 -0.239 7.144 -1.545 414 HB2 MET 51 HB2 MET 51 0.752 7.355 0.635 415 HB3 MET 51 HB1 MET 51 0.263 5.730 1.093 416 HG2 MET 51 HG2 MET 51 2.677 5.931 0.578 417 HG3 MET 51 HG1 MET 51 1.841 4.775 -0.466 418 HE1 MET 51 HE1 MET 51 2.937 8.430 -0.110 419 HE2 MET 51 HE2 MET 51 1.472 8.727 -1.041 420 HE3 MET 51 HE3 MET 51 3.054 9.022 -1.765 421 H ASP 52 HN ASP 52 0.803 5.611 -2.820 422 HA ASP 52 HA ASP 52 -0.306 2.896 -2.788 423 HB2 ASP 52 HB2 ASP 52 -0.032 4.495 -5.344 424 HB3 ASP 52 HB1 ASP 52 -0.803 2.922 -5.137 425 H LEU 53 HN LEU 53 1.099 1.338 -3.937 426 HA LEU 53 HA LEU 53 3.770 1.731 -3.222 427 HB2 LEU 53 HB2 LEU 53 2.411 -0.285 -4.956 428 HB3 LEU 53 HB1 LEU 53 4.160 -0.273 -4.819 429 HG LEU 53 HG LEU 53 2.320 -0.442 -2.444 430 HD11 LEU 53 HD11 LEU 53 2.083 -2.333 -4.038 431 HD12 LEU 53 HD12 LEU 53 2.638 -2.795 -2.435 432 HD13 LEU 53 HD13 LEU 53 3.780 -2.705 -3.778 433 HD21 LEU 53 HD21 LEU 53 4.478 0.348 -1.851 434 HD22 LEU 53 HD22 LEU 53 5.267 -0.895 -2.816 435 HD23 LEU 53 HD23 LEU 53 4.371 -1.339 -1.363 436 H SER 54 HN SER 54 2.220 2.143 -6.378 437 HA SER 54 HA SER 54 4.569 2.630 -7.841 438 HB2 SER 54 HB2 SER 54 1.782 3.699 -8.315 439 HB3 SER 54 HB1 SER 54 3.097 3.738 -9.484 440 HG SER 54 HG SER 54 1.503 1.638 -8.657 441 H THR 55 HN THR 55 2.661 4.720 -5.764 442 HA THR 55 HA THR 55 3.973 7.149 -6.557 443 HB THR 55 HB THR 55 2.500 6.833 -3.963 444 HG1 THR 55 HG1 THR 55 0.608 7.422 -5.406 445 HG21 THR 55 HG21 THR 55 3.632 8.958 -4.602 446 HG22 THR 55 HG22 THR 55 1.894 9.121 -4.354 447 HG23 THR 55 HG23 THR 55 2.550 9.068 -5.991 448 H VAL 56 HN VAL 56 4.267 4.798 -3.938 449 HA VAL 56 HA VAL 56 6.200 6.117 -2.391 450 HB VAL 56 HB VAL 56 5.890 3.143 -2.869 451 HG11 VAL 56 HG11 VAL 56 8.121 3.725 -2.010 452 HG12 VAL 56 HG12 VAL 56 7.164 2.839 -0.820 453 HG13 VAL 56 HG13 VAL 56 7.365 4.584 -0.664 454 HG21 VAL 56 HG21 VAL 56 3.921 4.329 -1.895 455 HG22 VAL 56 HG22 VAL 56 4.942 4.801 -0.538 456 HG23 VAL 56 HG23 VAL 56 4.614 3.095 -0.845 457 H LYS 57 HN LYS 57 6.476 3.919 -5.119 458 HA LYS 57 HA LYS 57 9.287 3.912 -5.285 459 HB2 LYS 57 HB2 LYS 57 7.238 2.593 -6.561 460 HB3 LYS 57 HB1 LYS 57 7.889 3.609 -7.838 461 HG2 LYS 57 HG2 LYS 57 10.147 2.707 -7.307 462 HG3 LYS 57 HG1 LYS 57 9.381 1.590 -6.191 463 HD2 LYS 57 HD2 LYS 57 7.999 0.758 -8.103 464 HD3 LYS 57 HD1 LYS 57 9.016 1.735 -9.169 465 HE2 LYS 57 HE2 LYS 57 10.997 0.544 -8.322 466 HE3 LYS 57 HE1 LYS 57 9.940 -0.460 -7.323 467 HZ1 LYS 57 HZ1 LYS 57 10.600 -1.542 -9.412 468 HZ2 LYS 57 HZ2 LYS 57 9.848 -0.314 -10.295 469 HZ3 LYS 57 HZ3 LYS 57 8.924 -1.334 -9.317 470 H ARG 58 HN ARG 58 6.786 5.841 -6.830 471 HA ARG 58 HA ARG 58 8.292 7.386 -8.570 472 HB2 ARG 58 HB2 ARG 58 5.842 7.422 -8.433 473 HB3 ARG 58 HB1 ARG 58 5.929 8.232 -6.878 474 HG2 ARG 58 HG2 ARG 58 7.121 10.114 -8.031 475 HG3 ARG 58 HG1 ARG 58 6.740 9.332 -9.558 476 HD2 ARG 58 HD2 ARG 58 4.351 9.472 -9.018 477 HD3 ARG 58 HD1 ARG 58 4.756 10.262 -7.495 478 HE ARG 58 HE ARG 58 5.708 11.545 -9.930 479 HH11 ARG 58 HH11 ARG 58 3.294 11.462 -7.386 480 HH12 ARG 58 HH12 ARG 58 2.749 13.081 -7.681 481 HH21 ARG 58 HH21 ARG 58 4.991 13.673 -10.304 482 HH22 ARG 58 HH22 ARG 58 3.722 14.342 -9.326 483 H LYS 59 HN LYS 59 7.480 8.074 -5.188 484 HA LYS 59 HA LYS 59 9.045 10.450 -5.054 485 HB2 LYS 59 HB2 LYS 59 7.880 8.701 -2.878 486 HB3 LYS 59 HB1 LYS 59 8.617 10.276 -2.607 487 HG2 LYS 59 HG2 LYS 59 6.902 11.409 -3.704 488 HG3 LYS 59 HG1 LYS 59 6.329 9.947 -4.506 489 HD2 LYS 59 HD2 LYS 59 4.850 10.733 -2.660 490 HD3 LYS 59 HD1 LYS 59 5.437 9.081 -2.460 491 HE2 LYS 59 HE2 LYS 59 7.182 11.073 -1.221 492 HE3 LYS 59 HE1 LYS 59 5.542 11.081 -0.563 493 HZ1 LYS 59 HZ1 LYS 59 5.728 8.724 -0.093 494 HZ2 LYS 59 HZ2 LYS 59 7.010 9.558 0.632 495 HZ3 LYS 59 HZ3 LYS 59 7.276 8.671 -0.778 496 H MET 60 HN MET 60 9.684 7.065 -4.461 497 HA MET 60 HA MET 60 12.207 7.414 -3.188 498 HB2 MET 60 HB2 MET 60 11.026 5.268 -3.063 499 HB3 MET 60 HB1 MET 60 11.155 5.078 -4.805 500 HG2 MET 60 HG2 MET 60 13.695 5.231 -4.395 501 HG3 MET 60 HG1 MET 60 13.280 4.874 -2.721 502 HE1 MET 60 HE1 MET 60 11.797 2.810 -2.039 503 HE2 MET 60 HE2 MET 60 11.414 1.451 -3.093 504 HE3 MET 60 HE3 MET 60 10.626 3.009 -3.340 505 H GLU 61 HN GLU 61 11.131 7.168 -6.540 506 HA GLU 61 HA GLU 61 13.699 7.072 -7.727 507 HB2 GLU 61 HB2 GLU 61 11.033 8.021 -8.769 508 HB3 GLU 61 HB1 GLU 61 12.480 7.992 -9.763 509 HG2 GLU 61 HG2 GLU 61 12.647 5.535 -9.244 510 HG3 GLU 61 HG1 GLU 61 11.046 5.665 -8.519 511 H ASN 62 HN ASN 62 11.699 9.685 -6.585 512 HA ASN 62 HA ASN 62 13.435 11.733 -7.661 513 HB2 ASN 62 HB2 ASN 62 10.994 11.774 -5.901 514 HB3 ASN 62 HB1 ASN 62 11.998 13.207 -6.064 515 HD21 ASN 62 HD21 ASN 62 11.452 10.920 -8.669 516 HD22 ASN 62 HD22 ASN 62 10.510 11.984 -9.653 517 H ARG 63 HN ARG 63 13.652 9.569 -5.280 518 HA ARG 63 HA ARG 63 15.012 9.214 -3.528 519 HB2 ARG 63 HB2 ARG 63 16.574 11.529 -4.674 520 HB3 ARG 63 HB1 ARG 63 17.197 10.269 -3.621 521 HG2 ARG 63 HG2 ARG 63 16.058 9.744 -6.358 522 HG3 ARG 63 HG1 ARG 63 17.772 10.009 -6.022 523 HD2 ARG 63 HD2 ARG 63 17.976 8.044 -4.798 524 HD3 ARG 63 HD1 ARG 63 16.239 7.883 -4.564 525 HE ARG 63 HE ARG 63 16.062 6.902 -6.645 526 HH11 ARG 63 HH11 ARG 63 19.284 8.230 -6.251 527 HH12 ARG 63 HH12 ARG 63 19.933 7.377 -7.614 528 HH21 ARG 63 HH21 ARG 63 16.927 5.785 -8.439 529 HH22 ARG 63 HH22 ARG 63 18.598 5.993 -8.855 530 H ASP 64 HN ASP 64 12.786 10.893 -3.097 531 HA ASP 64 HA ASP 64 13.465 13.040 -1.344 532 HB2 ASP 64 HB2 ASP 64 11.020 11.592 -2.118 533 HB3 ASP 64 HB1 ASP 64 10.998 12.245 -0.484 534 H TYR 65 HN TYR 65 13.503 9.674 -1.024 535 HA TYR 65 HA TYR 65 12.983 9.567 1.817 536 HB2 TYR 65 HB2 TYR 65 13.941 7.433 -0.107 537 HB3 TYR 65 HB1 TYR 65 13.477 7.155 1.566 538 HD1 TYR 65 HD1 TYR 65 11.697 5.640 1.222 539 HD2 TYR 65 HD2 TYR 65 11.702 9.362 -0.825 540 HE1 TYR 65 HE1 TYR 65 9.387 5.237 0.473 541 HE2 TYR 65 HE2 TYR 65 9.403 8.972 -1.550 542 HH TYR 65 HH TYR 65 7.968 6.706 -1.953 543 H ARG 66 HN ARG 66 14.473 9.197 3.408 544 HA ARG 66 HA ARG 66 17.290 9.487 2.624 545 HB2 ARG 66 HB2 ARG 66 15.918 10.016 5.262 546 HB3 ARG 66 HB1 ARG 66 17.649 10.162 4.993 547 HG2 ARG 66 HG2 ARG 66 15.561 11.751 3.516 548 HG3 ARG 66 HG1 ARG 66 16.427 12.318 4.944 549 HD2 ARG 66 HD2 ARG 66 17.501 13.216 2.996 550 HD3 ARG 66 HD1 ARG 66 18.559 12.003 3.707 551 HE ARG 66 HE ARG 66 16.848 11.032 1.590 552 HH11 ARG 66 HH11 ARG 66 19.956 12.429 2.400 553 HH12 ARG 66 HH12 ARG 66 20.736 11.825 0.974 554 HH21 ARG 66 HH21 ARG 66 17.872 10.242 -0.280 555 HH22 ARG 66 HH22 ARG 66 19.548 10.599 -0.559 556 H ASP 67 HN ASP 67 15.014 7.387 4.251 557 HA ASP 67 HA ASP 67 17.063 5.334 4.373 558 HB2 ASP 67 HB2 ASP 67 15.641 6.362 6.833 559 HB3 ASP 67 HB1 ASP 67 16.361 4.762 6.758 560 H ALA 68 HN ALA 68 16.053 3.219 5.069 561 HA ALA 68 HA ALA 68 13.755 2.788 3.432 562 HB1 ALA 68 HB1 ALA 68 15.131 0.923 5.354 563 HB2 ALA 68 HB2 ALA 68 15.504 1.101 3.639 564 HB3 ALA 68 HB3 ALA 68 13.941 0.457 4.138 565 H GLN 69 HN GLN 69 14.259 3.611 6.691 566 HA GLN 69 HA GLN 69 11.883 2.556 7.810 567 HB2 GLN 69 HB2 GLN 69 13.759 3.372 9.199 568 HB3 GLN 69 HB1 GLN 69 13.446 5.009 8.636 569 HG2 GLN 69 HG2 GLN 69 12.417 4.941 10.707 570 HG3 GLN 69 HG1 GLN 69 11.105 4.678 9.560 571 HE21 GLN 69 HE21 GLN 69 9.822 3.683 11.084 572 HE22 GLN 69 HE22 GLN 69 10.145 2.081 11.658 573 H GLU 70 HN GLU 70 12.736 5.556 6.197 574 HA GLU 70 HA GLU 70 10.241 6.833 6.511 575 HB2 GLU 70 HB2 GLU 70 12.395 7.245 4.424 576 HB3 GLU 70 HB1 GLU 70 11.001 8.297 4.672 577 HG2 GLU 70 HG2 GLU 70 11.801 8.679 7.003 578 HG3 GLU 70 HG1 GLU 70 13.258 7.777 6.589 579 H PHE 71 HN PHE 71 11.601 4.688 4.106 580 HA PHE 71 HA PHE 71 9.429 4.712 2.313 581 HB2 PHE 71 HB2 PHE 71 11.268 3.651 1.387 582 HB3 PHE 71 HB1 PHE 71 11.666 2.795 2.871 583 HD1 PHE 71 HD1 PHE 71 9.519 2.818 -0.112 584 HD2 PHE 71 HD2 PHE 71 10.667 0.657 3.368 585 HE1 PHE 71 HE1 PHE 71 8.391 0.806 -0.986 586 HE2 PHE 71 HE2 PHE 71 9.530 -1.342 2.511 587 HZ PHE 71 HZ PHE 71 8.399 -1.275 0.325 588 H ALA 72 HN ALA 72 10.256 2.482 4.960 589 HA ALA 72 HA ALA 72 8.023 0.882 4.926 590 HB1 ALA 72 HB1 ALA 72 9.692 1.808 7.264 591 HB2 ALA 72 HB2 ALA 72 9.883 0.327 6.322 592 HB3 ALA 72 HB3 ALA 72 8.477 0.533 7.365 593 H ALA 73 HN ALA 73 8.510 3.953 6.552 594 HA ALA 73 HA ALA 73 6.128 4.215 7.922 595 HB1 ALA 73 HB1 ALA 73 8.057 6.146 6.681 596 HB2 ALA 73 HB2 ALA 73 7.731 5.819 8.391 597 HB3 ALA 73 HB3 ALA 73 6.567 6.734 7.432 598 H ASP 74 HN ASP 74 6.860 5.014 4.546 599 HA ASP 74 HA ASP 74 4.290 6.223 4.090 600 HB2 ASP 74 HB2 ASP 74 6.661 6.612 2.927 601 HB3 ASP 74 HB1 ASP 74 6.049 5.383 1.824 602 H VAL 75 HN VAL 75 5.836 3.145 3.173 603 HA VAL 75 HA VAL 75 3.647 2.238 1.600 604 HB VAL 75 HB VAL 75 5.719 1.198 1.143 605 HG11 VAL 75 HG11 VAL 75 6.932 1.527 3.159 606 HG12 VAL 75 HG12 VAL 75 6.898 -0.207 2.842 607 HG13 VAL 75 HG13 VAL 75 5.830 0.487 4.060 608 HG21 VAL 75 HG21 VAL 75 5.264 -1.265 1.822 609 HG22 VAL 75 HG22 VAL 75 4.136 -0.432 0.745 610 HG23 VAL 75 HG23 VAL 75 3.746 -0.620 2.455 611 H ARG 76 HN ARG 76 4.530 1.736 5.003 612 HA ARG 76 HA ARG 76 2.437 -0.112 5.517 613 HB2 ARG 76 HB2 ARG 76 2.943 0.146 7.831 614 HB3 ARG 76 HB1 ARG 76 4.465 0.205 6.966 615 HG2 ARG 76 HG2 ARG 76 4.538 2.610 7.166 616 HG3 ARG 76 HG1 ARG 76 2.955 2.620 7.939 617 HD2 ARG 76 HD2 ARG 76 4.826 2.864 9.528 618 HD3 ARG 76 HD1 ARG 76 3.825 1.459 9.850 619 HE ARG 76 HE ARG 76 5.857 0.489 8.316 620 HH11 ARG 76 HH11 ARG 76 5.702 2.336 11.281 621 HH12 ARG 76 HH12 ARG 76 7.148 1.643 11.946 622 HH21 ARG 76 HH21 ARG 76 7.778 -0.429 9.187 623 HH22 ARG 76 HH22 ARG 76 8.332 0.075 10.752 624 H LEU 77 HN LEU 77 2.659 3.380 5.495 625 HA LEU 77 HA LEU 77 0.196 3.962 6.732 626 HB2 LEU 77 HB2 LEU 77 2.261 5.378 5.383 627 HB3 LEU 77 HB1 LEU 77 0.733 5.853 4.670 628 HG LEU 77 HG LEU 77 1.473 6.051 7.585 629 HD11 LEU 77 HD11 LEU 77 1.138 8.062 5.400 630 HD12 LEU 77 HD12 LEU 77 2.579 7.739 6.361 631 HD13 LEU 77 HD13 LEU 77 1.167 8.490 7.107 632 HD21 LEU 77 HD21 LEU 77 -1.097 6.498 6.113 633 HD22 LEU 77 HD22 LEU 77 -0.733 7.373 7.602 634 HD23 LEU 77 HD23 LEU 77 -0.818 5.611 7.615 635 H MET 78 HN MET 78 1.049 3.097 3.438 636 HA MET 78 HA MET 78 -1.463 3.539 2.263 637 HB2 MET 78 HB2 MET 78 0.385 3.181 0.819 638 HB3 MET 78 HB1 MET 78 0.777 1.646 1.584 639 HG2 MET 78 HG2 MET 78 -1.903 1.830 0.369 640 HG3 MET 78 HG1 MET 78 -0.533 1.870 -0.749 641 HE1 MET 78 HE1 MET 78 1.660 0.025 0.561 642 HE2 MET 78 HE2 MET 78 1.134 0.023 -1.117 643 HE3 MET 78 HE3 MET 78 1.224 -1.493 -0.223 644 H PHE 79 HN PHE 79 -0.098 0.504 3.600 645 HA PHE 79 HA PHE 79 -2.450 -0.995 3.385 646 HB2 PHE 79 HB2 PHE 79 -0.286 -1.240 5.477 647 HB3 PHE 79 HB1 PHE 79 -1.540 -2.438 5.168 648 HD1 PHE 79 HD1 PHE 79 -1.663 -2.835 2.391 649 HD2 PHE 79 HD2 PHE 79 1.753 -1.947 4.761 650 HE1 PHE 79 HE1 PHE 79 -0.225 -3.908 0.708 651 HE2 PHE 79 HE2 PHE 79 3.198 -3.015 3.089 652 HZ PHE 79 HZ PHE 79 2.229 -3.987 1.047 653 H SER 80 HN SER 80 -1.377 1.254 5.854 654 HA SER 80 HA SER 80 -3.316 0.687 7.800 655 HB2 SER 80 HB2 SER 80 -1.817 3.261 7.265 656 HB3 SER 80 HB1 SER 80 -2.729 2.906 8.732 657 HG SER 80 HG SER 80 -0.485 1.446 7.754 658 H ASN 81 HN ASN 81 -3.337 3.066 5.120 659 HA ASN 81 HA ASN 81 -5.775 4.227 5.968 660 HB2 ASN 81 HB2 ASN 81 -5.842 5.465 3.932 661 HB3 ASN 81 HB1 ASN 81 -4.162 5.376 4.432 662 HD21 ASN 81 HD21 ASN 81 -2.729 4.767 2.973 663 HD22 ASN 81 HD22 ASN 81 -3.094 4.011 1.461 664 H CYS 82 HN CYS 82 -5.038 1.477 3.942 665 HA CYS 82 HA CYS 82 -7.625 1.096 2.873 666 HB2 CYS 82 HB2 CYS 82 -5.909 -0.277 1.923 667 HB3 CYS 82 HB1 CYS 82 -5.481 -0.952 3.501 668 HG CYS 82 HG CYS 82 -6.673 -3.029 2.253 669 H TYR 83 HN TYR 83 -6.192 -0.015 5.943 670 HA TYR 83 HA TYR 83 -8.496 -1.449 6.777 671 HB2 TYR 83 HB2 TYR 83 -6.323 -0.202 8.471 672 HB3 TYR 83 HB1 TYR 83 -7.572 -1.295 9.067 673 HD1 TYR 83 HD1 TYR 83 -7.537 -3.281 6.776 674 HD2 TYR 83 HD2 TYR 83 -4.358 -1.442 8.955 675 HE1 TYR 83 HE1 TYR 83 -6.098 -5.226 6.331 676 HE2 TYR 83 HE2 TYR 83 -2.941 -3.383 8.515 677 HH TYR 83 HH TYR 83 -3.225 -5.792 7.979 678 H LYS 84 HN LYS 84 -7.667 1.927 6.862 679 HA LYS 84 HA LYS 84 -9.508 2.739 8.862 680 HB2 LYS 84 HB2 LYS 84 -8.366 4.246 6.506 681 HB3 LYS 84 HB1 LYS 84 -9.384 4.979 7.729 682 HG2 LYS 84 HG2 LYS 84 -7.727 4.494 9.436 683 HG3 LYS 84 HG1 LYS 84 -6.708 3.701 8.233 684 HD2 LYS 84 HD2 LYS 84 -6.010 6.031 8.729 685 HD3 LYS 84 HD1 LYS 84 -6.420 5.769 7.035 686 HE2 LYS 84 HE2 LYS 84 -7.335 7.880 7.798 687 HE3 LYS 84 HE1 LYS 84 -8.645 6.754 7.434 688 HZ1 LYS 84 HZ1 LYS 84 -7.583 7.336 10.151 689 HZ2 LYS 84 HZ2 LYS 84 -8.885 6.320 9.789 690 HZ3 LYS 84 HZ3 LYS 84 -9.003 7.983 9.503 691 H TYR 85 HN TYR 85 -9.695 2.468 5.364 692 HA TYR 85 HA TYR 85 -12.285 3.680 5.239 693 HB2 TYR 85 HB2 TYR 85 -10.585 3.907 3.458 694 HB3 TYR 85 HB1 TYR 85 -10.757 2.195 3.094 695 HD1 TYR 85 HD1 TYR 85 -12.584 5.359 3.312 696 HD2 TYR 85 HD2 TYR 85 -12.501 1.488 1.569 697 HE1 TYR 85 HE1 TYR 85 -14.477 5.988 1.868 698 HE2 TYR 85 HE2 TYR 85 -14.379 2.087 0.119 699 HH TYR 85 HH TYR 85 -16.310 3.786 0.233 700 H ASN 86 HN ASN 86 -11.051 0.449 4.427 701 HA ASN 86 HA ASN 86 -13.750 -0.508 4.012 702 HB2 ASN 86 HB2 ASN 86 -11.099 -1.961 3.800 703 HB3 ASN 86 HB1 ASN 86 -12.657 -2.575 3.249 704 HD21 ASN 86 HD21 ASN 86 -10.059 -0.387 2.631 705 HD22 ASN 86 HD22 ASN 86 -10.537 0.064 1.031 706 HA PRO 87 HA PRO 87 -14.235 -2.052 8.173 707 HB2 PRO 87 HB2 PRO 87 -16.157 -3.952 7.456 708 HB3 PRO 87 HB1 PRO 87 -16.478 -2.298 7.973 709 HG2 PRO 87 HG2 PRO 87 -16.447 -3.455 5.249 710 HG3 PRO 87 HG1 PRO 87 -17.396 -2.104 5.897 711 HD2 PRO 87 HD2 PRO 87 -15.255 -1.776 4.250 712 HD3 PRO 87 HD1 PRO 87 -15.741 -0.578 5.466 713 HA PRO 88 HA PRO 88 -11.484 -5.270 8.771 714 HB2 PRO 88 HB2 PRO 88 -13.032 -7.022 10.351 715 HB3 PRO 88 HB1 PRO 88 -11.963 -5.737 10.910 716 HG2 PRO 88 HG2 PRO 88 -14.910 -5.721 10.537 717 HG3 PRO 88 HG1 PRO 88 -13.920 -4.863 11.731 718 HD2 PRO 88 HD2 PRO 88 -15.002 -3.577 9.656 719 HD3 PRO 88 HD1 PRO 88 -13.375 -3.166 10.240 720 H ASP 89 HN ASP 89 -14.633 -6.366 7.622 721 HA ASP 89 HA ASP 89 -13.239 -8.657 6.390 722 HB2 ASP 89 HB2 ASP 89 -15.086 -9.318 7.935 723 HB3 ASP 89 HB1 ASP 89 -16.221 -8.437 6.914 724 H HIS 90 HN HIS 90 -12.522 -7.258 4.708 725 HA HIS 90 HA HIS 90 -14.441 -7.258 2.532 726 HB2 HIS 90 HB2 HIS 90 -14.323 -4.897 3.722 727 HB3 HIS 90 HB1 HIS 90 -12.792 -4.766 2.883 728 HD1 HIS 90 HD1 HIS 90 -12.940 -5.079 0.188 729 HD2 HIS 90 HD2 HIS 90 -16.514 -4.138 2.090 730 HE1 HIS 90 HE1 HIS 90 -14.475 -4.260 -1.608 731 HE2 HIS 90 HE2 HIS 90 -16.680 -3.908 -0.464 732 H ASP 91 HN ASP 91 -13.393 -7.370 0.481 733 HA ASP 91 HA ASP 91 -11.210 -8.996 0.364 734 HB2 ASP 91 HB2 ASP 91 -12.110 -6.985 -1.703 735 HB3 ASP 91 HB1 ASP 91 -10.990 -8.306 -2.021 736 H VAL 92 HN VAL 92 -11.081 -5.449 0.185 737 HA VAL 92 HA VAL 92 -8.360 -5.340 -0.575 738 HB VAL 92 HB VAL 92 -9.212 -2.962 0.846 739 HG11 VAL 92 HG11 VAL 92 -7.377 -3.124 -0.800 740 HG12 VAL 92 HG12 VAL 92 -8.558 -1.876 -1.188 741 HG13 VAL 92 HG13 VAL 92 -8.576 -3.408 -2.057 742 HG21 VAL 92 HG21 VAL 92 -11.442 -3.707 0.270 743 HG22 VAL 92 HG22 VAL 92 -10.957 -3.937 -1.407 744 HG23 VAL 92 HG23 VAL 92 -10.994 -2.315 -0.712 745 H VAL 93 HN VAL 93 -9.894 -5.592 2.559 746 HA VAL 93 HA VAL 93 -7.520 -4.710 3.938 747 HB VAL 93 HB VAL 93 -8.622 -5.210 6.006 748 HG11 VAL 93 HG11 VAL 93 -10.750 -4.151 4.163 749 HG12 VAL 93 HG12 VAL 93 -9.361 -3.208 4.711 750 HG13 VAL 93 HG13 VAL 93 -10.538 -3.803 5.881 751 HG21 VAL 93 HG21 VAL 93 -10.781 -6.585 4.426 752 HG22 VAL 93 HG22 VAL 93 -10.768 -6.326 6.172 753 HG23 VAL 93 HG23 VAL 93 -9.570 -7.384 5.428 754 H ALA 94 HN ALA 94 -9.008 -7.748 3.029 755 HA ALA 94 HA ALA 94 -7.223 -9.426 4.461 756 HB1 ALA 94 HB1 ALA 94 -8.841 -10.005 1.978 757 HB2 ALA 94 HB2 ALA 94 -9.362 -10.253 3.644 758 HB3 ALA 94 HB3 ALA 94 -8.037 -11.211 2.982 759 H MET 95 HN MET 95 -7.251 -8.108 1.182 760 HA MET 95 HA MET 95 -4.847 -9.355 0.338 761 HB2 MET 95 HB2 MET 95 -6.258 -6.874 -0.664 762 HB3 MET 95 HB1 MET 95 -4.849 -7.577 -1.447 763 HG2 MET 95 HG2 MET 95 -6.169 -9.703 -1.702 764 HG3 MET 95 HG1 MET 95 -7.577 -8.814 -1.117 765 HE1 MET 95 HE1 MET 95 -8.370 -6.532 -2.278 766 HE2 MET 95 HE2 MET 95 -9.279 -7.922 -2.863 767 HE3 MET 95 HE3 MET 95 -8.717 -6.696 -3.997 768 H ALA 96 HN ALA 96 -5.555 -6.328 2.004 769 HA ALA 96 HA ALA 96 -2.922 -5.253 1.842 770 HB1 ALA 96 HB1 ALA 96 -4.678 -3.733 2.339 771 HB2 ALA 96 HB2 ALA 96 -3.675 -3.836 3.788 772 HB3 ALA 96 HB3 ALA 96 -5.211 -4.698 3.716 773 H ARG 97 HN ARG 97 -4.535 -7.461 4.021 774 HA ARG 97 HA ARG 97 -2.550 -7.295 6.067 775 HB2 ARG 97 HB2 ARG 97 -5.012 -7.952 6.328 776 HB3 ARG 97 HB1 ARG 97 -4.520 -9.539 5.744 777 HG2 ARG 97 HG2 ARG 97 -2.968 -9.762 7.593 778 HG3 ARG 97 HG1 ARG 97 -3.390 -8.147 8.159 779 HD2 ARG 97 HD2 ARG 97 -5.735 -8.923 8.426 780 HD3 ARG 97 HD1 ARG 97 -5.196 -10.550 8.015 781 HE ARG 97 HE ARG 97 -3.584 -9.714 10.091 782 HH11 ARG 97 HH11 ARG 97 -6.993 -10.262 9.558 783 HH12 ARG 97 HH12 ARG 97 -7.326 -10.639 11.218 784 HH21 ARG 97 HH21 ARG 97 -4.002 -10.222 12.277 785 HH22 ARG 97 HH22 ARG 97 -5.617 -10.623 12.767 786 H LYS 98 HN LYS 98 -3.287 -9.572 3.472 787 HA LYS 98 HA LYS 98 -1.281 -11.456 4.114 788 HB2 LYS 98 HB2 LYS 98 -3.200 -11.906 2.608 789 HB3 LYS 98 HB1 LYS 98 -2.489 -10.838 1.411 790 HG2 LYS 98 HG2 LYS 98 -0.506 -12.339 1.343 791 HG3 LYS 98 HG1 LYS 98 -1.364 -13.436 2.421 792 HD2 LYS 98 HD2 LYS 98 -3.132 -13.714 0.778 793 HD3 LYS 98 HD1 LYS 98 -2.335 -12.561 -0.293 794 HE2 LYS 98 HE2 LYS 98 -1.886 -14.838 -0.996 795 HE3 LYS 98 HE1 LYS 98 -0.414 -14.030 -0.471 796 HZ1 LYS 98 HZ1 LYS 98 -1.993 -16.018 1.064 797 HZ2 LYS 98 HZ2 LYS 98 -0.675 -15.164 1.691 798 HZ3 LYS 98 HZ3 LYS 98 -0.449 -16.235 0.407 799 H LEU 99 HN LEU 99 -1.321 -8.731 1.840 800 HA LEU 99 HA LEU 99 1.369 -8.910 1.066 801 HB2 LEU 99 HB2 LEU 99 -0.727 -6.837 0.922 802 HB3 LEU 99 HB1 LEU 99 0.918 -6.274 0.853 803 HG LEU 99 HG LEU 99 -0.676 -7.597 -1.208 804 HD11 LEU 99 HD11 LEU 99 1.925 -6.146 -1.419 805 HD12 LEU 99 HD12 LEU 99 0.392 -5.304 -1.186 806 HD13 LEU 99 HD13 LEU 99 0.651 -6.287 -2.629 807 HD21 LEU 99 HD21 LEU 99 2.227 -8.346 -0.995 808 HD22 LEU 99 HD22 LEU 99 1.071 -8.849 -2.228 809 HD23 LEU 99 HD23 LEU 99 0.908 -9.448 -0.580 810 H GLN 100 HN GLN 100 -0.123 -7.608 3.941 811 HA GLN 100 HA GLN 100 2.108 -6.169 4.886 812 HB2 GLN 100 HB2 GLN 100 -0.071 -5.974 6.002 813 HB3 GLN 100 HB1 GLN 100 -0.032 -7.678 6.429 814 HG2 GLN 100 HG2 GLN 100 1.970 -7.213 7.847 815 HG3 GLN 100 HG1 GLN 100 1.737 -5.493 7.527 816 HE21 GLN 100 HE21 GLN 100 1.638 -6.976 10.036 817 HE22 GLN 100 HE22 GLN 100 0.075 -6.669 10.710 818 H ASP 101 HN ASP 101 1.140 -9.570 5.207 819 HA ASP 101 HA ASP 101 3.141 -10.475 6.898 820 HB2 ASP 101 HB2 ASP 101 1.624 -11.833 4.690 821 HB3 ASP 101 HB1 ASP 101 2.872 -12.692 5.587 822 H VAL 102 HN VAL 102 3.234 -10.213 3.341 823 HA VAL 102 HA VAL 102 5.915 -11.185 3.208 824 HB VAL 102 HB VAL 102 4.748 -11.450 1.196 825 HG11 VAL 102 HG11 VAL 102 3.826 -9.520 -0.084 826 HG12 VAL 102 HG12 VAL 102 4.015 -8.557 1.380 827 HG13 VAL 102 HG13 VAL 102 2.949 -9.964 1.377 828 HG21 VAL 102 HG21 VAL 102 6.125 -9.118 0.134 829 HG22 VAL 102 HG22 VAL 102 6.370 -10.835 -0.205 830 HG23 VAL 102 HG23 VAL 102 7.126 -10.099 1.209 831 H PHE 103 HN PHE 103 4.636 -7.879 2.752 832 HA PHE 103 HA PHE 103 7.059 -6.563 2.516 833 HB2 PHE 103 HB2 PHE 103 5.318 -5.203 1.973 834 HB3 PHE 103 HB1 PHE 103 4.320 -5.725 3.324 835 HD1 PHE 103 HD1 PHE 103 7.552 -3.947 2.738 836 HD2 PHE 103 HD2 PHE 103 3.937 -4.128 5.005 837 HE1 PHE 103 HE1 PHE 103 8.217 -1.930 3.970 838 HE2 PHE 103 HE2 PHE 103 4.610 -2.114 6.229 839 HZ PHE 103 HZ PHE 103 6.748 -1.013 5.716 840 H GLU 104 HN GLU 104 5.399 -7.509 5.511 841 HA GLU 104 HA GLU 104 7.045 -5.931 7.196 842 HB2 GLU 104 HB2 GLU 104 4.869 -6.455 7.970 843 HB3 GLU 104 HB1 GLU 104 5.062 -8.162 7.603 844 HG2 GLU 104 HG2 GLU 104 5.169 -7.976 9.926 845 HG3 GLU 104 HG1 GLU 104 6.814 -8.225 9.346 846 H PHE 105 HN PHE 105 6.936 -9.337 6.227 847 HA PHE 105 HA PHE 105 9.108 -10.206 7.804 848 HB2 PHE 105 HB2 PHE 105 7.509 -11.767 6.793 849 HB3 PHE 105 HB1 PHE 105 8.066 -11.316 5.187 850 HD1 PHE 105 HD1 PHE 105 9.185 -12.854 8.375 851 HD2 PHE 105 HD2 PHE 105 9.844 -12.438 4.192 852 HE1 PHE 105 HE1 PHE 105 10.885 -14.632 8.469 853 HE2 PHE 105 HE2 PHE 105 11.544 -14.212 4.278 854 HZ PHE 105 HZ PHE 105 12.067 -15.311 6.417 855 H ARG 106 HN ARG 106 8.900 -8.726 4.625 856 HA ARG 106 HA ARG 106 11.586 -9.162 3.860 857 HB2 ARG 106 HB2 ARG 106 9.670 -6.972 3.040 858 HB3 ARG 106 HB1 ARG 106 11.195 -7.321 2.251 859 HG2 ARG 106 HG2 ARG 106 8.797 -9.119 2.391 860 HG3 ARG 106 HG1 ARG 106 9.373 -8.235 0.980 861 HD2 ARG 106 HD2 ARG 106 11.432 -9.541 0.995 862 HD3 ARG 106 HD1 ARG 106 10.869 -10.418 2.420 863 HE ARG 106 HE ARG 106 9.391 -10.472 -0.127 864 HH11 ARG 106 HH11 ARG 106 11.011 -12.172 2.471 865 HH12 ARG 106 HH12 ARG 106 10.451 -13.731 1.963 866 HH21 ARG 106 HH21 ARG 106 8.661 -12.482 -0.789 867 HH22 ARG 106 HH22 ARG 106 9.087 -13.909 0.107 868 H TYR 107 HN TYR 107 9.950 -6.443 5.446 869 HA TYR 107 HA TYR 107 12.322 -4.891 5.673 870 HB2 TYR 107 HB2 TYR 107 9.938 -3.997 5.806 871 HB3 TYR 107 HB1 TYR 107 9.892 -4.620 7.456 872 HD1 TYR 107 HD1 TYR 107 11.303 -2.066 5.242 873 HD2 TYR 107 HD2 TYR 107 11.226 -3.587 9.213 874 HE1 TYR 107 HE1 TYR 107 12.407 -0.029 6.042 875 HE2 TYR 107 HE2 TYR 107 12.322 -1.542 10.022 876 HH TYR 107 HH TYR 107 13.726 0.241 9.165 877 H ALA 108 HN ALA 108 10.803 -7.336 7.655 878 HA ALA 108 HA ALA 108 12.360 -6.976 9.986 879 HB1 ALA 108 HB1 ALA 108 10.271 -8.284 9.916 880 HB2 ALA 108 HB2 ALA 108 11.611 -9.189 10.619 881 HB3 ALA 108 HB3 ALA 108 11.097 -9.519 8.965 882 H LYS 109 HN LYS 109 12.823 -8.880 7.056 883 HA LYS 109 HA LYS 109 15.259 -10.093 7.946 884 HB2 LYS 109 HB2 LYS 109 13.862 -11.169 6.255 885 HB3 LYS 109 HB1 LYS 109 14.069 -9.789 5.184 886 HG2 LYS 109 HG2 LYS 109 16.276 -10.336 4.697 887 HG3 LYS 109 HG1 LYS 109 16.454 -11.325 6.140 888 HD2 LYS 109 HD2 LYS 109 14.823 -12.040 3.686 889 HD3 LYS 109 HD1 LYS 109 16.389 -12.706 4.132 890 HE2 LYS 109 HE2 LYS 109 13.851 -12.977 5.737 891 HE3 LYS 109 HE1 LYS 109 14.562 -14.220 4.714 892 HZ1 LYS 109 HZ1 LYS 109 16.503 -14.249 6.132 893 HZ2 LYS 109 HZ2 LYS 109 15.114 -14.536 7.050 894 HZ3 LYS 109 HZ3 LYS 109 15.860 -13.022 7.102 895 H MET 110 HN MET 110 14.356 -7.176 6.326 896 HA MET 110 HA MET 110 16.862 -6.425 5.284 897 HB2 MET 110 HB2 MET 110 14.938 -5.305 4.453 898 HB3 MET 110 HB1 MET 110 14.404 -4.862 6.066 899 HG2 MET 110 HG2 MET 110 17.002 -3.803 5.096 900 HG3 MET 110 HG1 MET 110 15.510 -3.115 4.457 901 HE1 MET 110 HE1 MET 110 16.045 -0.769 5.324 902 HE2 MET 110 HE2 MET 110 17.593 -1.304 5.982 903 HE3 MET 110 HE3 MET 110 16.486 -0.368 6.986 904 HA PRO 111 HA PRO 111 18.682 -5.155 9.195 905 HB2 PRO 111 HB2 PRO 111 21.231 -5.266 8.412 906 HB3 PRO 111 HB1 PRO 111 20.292 -6.738 8.684 907 HG2 PRO 111 HG2 PRO 111 21.111 -5.462 6.131 908 HG3 PRO 111 HG1 PRO 111 20.870 -7.174 6.508 909 HD2 PRO 111 HD2 PRO 111 19.046 -5.437 5.208 910 HD3 PRO 111 HD1 PRO 111 18.729 -7.094 5.783 911 H ASP 112 HN ASP 112 19.965 -3.334 9.905 912 HA ASP 112 HA ASP 112 19.770 -1.031 8.118 913 HB2 ASP 112 HB2 ASP 112 20.216 -1.305 11.087 914 HB3 ASP 112 HB1 ASP 112 20.499 0.216 10.253 915 H1 HIS 281 HT1 HIS 281 -24.861 -0.103 12.689 916 H2 HIS 281 HT2 HIS 281 -23.824 -0.436 11.398 917 H3 HIS 281 HT3 HIS 281 -24.635 1.043 11.468 918 HA HIS 281 HA HIS 281 -23.432 1.675 13.436 919 HB2 HIS 281 HB2 HIS 281 -23.097 -0.578 14.354 920 HB3 HIS 281 HB1 HIS 281 -21.990 -0.960 13.043 921 HD1 HIS 281 HD1 HIS 281 -22.247 1.412 16.000 922 HD2 HIS 281 HD2 HIS 281 -19.386 -0.353 13.557 923 HE1 HIS 281 HE1 HIS 281 -20.028 2.004 17.020 924 HE2 HIS 281 HE2 HIS 281 -18.325 0.798 15.612 925 H ASN 282 HN ASN 282 -22.322 0.100 10.487 926 HA ASN 282 HA ASN 282 -20.287 2.202 10.201 927 HB2 ASN 282 HB2 ASN 282 -19.422 -0.092 10.026 928 HB3 ASN 282 HB1 ASN 282 -20.562 -0.428 8.727 929 HD21 ASN 282 HD21 ASN 282 -17.643 1.209 9.626 930 HD22 ASN 282 HD22 ASN 282 -17.118 1.585 8.022 931 H LEU 283 HN LEU 283 -21.181 3.901 9.219 932 HA LEU 283 HA LEU 283 -22.986 3.398 6.956 933 HB2 LEU 283 HB2 LEU 283 -23.856 4.715 8.911 934 HB3 LEU 283 HB1 LEU 283 -22.667 5.948 8.538 935 HG LEU 283 HG LEU 283 -23.728 6.292 6.337 936 HD11 LEU 283 HD11 LEU 283 -25.922 5.303 5.888 937 HD12 LEU 283 HD12 LEU 283 -25.778 4.325 7.347 938 HD13 LEU 283 HD13 LEU 283 -24.665 4.074 6.003 939 HD21 LEU 283 HD21 LEU 283 -25.541 6.524 8.729 940 HD22 LEU 283 HD22 LEU 283 -25.798 7.343 7.191 941 HD23 LEU 283 HD23 LEU 283 -24.376 7.717 8.162 942 H LEU 284 HN LEU 284 -20.327 3.053 6.526 943 HA LEU 284 HA LEU 284 -19.563 5.449 5.001 944 HB2 LEU 284 HB2 LEU 284 -17.950 4.795 6.747 945 HB3 LEU 284 HB1 LEU 284 -17.820 3.204 6.024 946 HG LEU 284 HG LEU 284 -16.852 4.198 3.995 947 HD11 LEU 284 HD11 LEU 284 -17.023 6.787 5.527 948 HD12 LEU 284 HD12 LEU 284 -17.930 6.373 4.071 949 HD13 LEU 284 HD13 LEU 284 -16.177 6.552 3.998 950 HD21 LEU 284 HD21 LEU 284 -15.465 5.023 6.541 951 HD22 LEU 284 HD22 LEU 284 -14.704 4.850 4.960 952 HD23 LEU 284 HD23 LEU 284 -15.375 3.438 5.774 953 H ARG 285 HN ARG 285 -19.328 5.278 2.860 954 HA ARG 285 HA ARG 285 -20.405 3.186 1.375 955 HB2 ARG 285 HB2 ARG 285 -18.318 5.217 0.551 956 HB3 ARG 285 HB1 ARG 285 -19.240 4.215 -0.559 957 HG2 ARG 285 HG2 ARG 285 -21.285 5.306 0.072 958 HG3 ARG 285 HG1 ARG 285 -20.454 6.218 1.332 959 HD2 ARG 285 HD2 ARG 285 -19.125 7.368 -0.312 960 HD3 ARG 285 HD1 ARG 285 -19.837 6.404 -1.610 961 HE ARG 285 HE ARG 285 -21.056 8.629 -0.186 962 HH11 ARG 285 HH11 ARG 285 -21.494 5.958 -2.411 963 HH12 ARG 285 HH12 ARG 285 -22.962 6.594 -3.086 964 HH21 ARG 285 HH21 ARG 285 -22.958 9.489 -1.100 965 HH22 ARG 285 HH22 ARG 285 -23.798 8.604 -2.337 966 H ILE 286 HN ILE 286 -19.629 1.228 0.789 967 HA ILE 286 HA ILE 286 -16.881 0.626 1.558 968 HB ILE 286 HB ILE 286 -17.473 -1.745 1.210 969 HG12 ILE 286 HG12 ILE 286 -20.216 -0.625 0.592 970 HG13 ILE 286 HG11 ILE 286 -19.184 -1.557 -0.488 971 HG21 ILE 286 HG21 ILE 286 -18.965 -1.928 3.151 972 HG22 ILE 286 HG22 ILE 286 -19.322 -0.205 3.027 973 HG23 ILE 286 HG23 ILE 286 -17.685 -0.742 3.405 974 HD11 ILE 286 HD11 ILE 286 -19.416 -3.499 0.982 975 HD12 ILE 286 HD12 ILE 286 -20.973 -2.928 0.380 976 HD13 ILE 286 HD13 ILE 286 -20.480 -2.564 2.034 977 HH31 ALY 287 HH1 ALY 287 -6.877 1.119 -1.446 978 HH32 ALY 287 HH2 ALY 287 -6.829 1.904 0.134 979 HH33 ALY 287 HH3 ALY 287 -6.975 0.150 0.026 980 HZ ALY 287 HZ1 ALY 287 -8.928 0.431 -2.273 981 HE3 ALY 287 HE2 ALY 287 -11.172 1.899 -1.862 982 HE2 ALY 287 HE1 ALY 287 -11.349 0.543 -0.749 983 HD3 ALY 287 HD2 ALY 287 -11.172 -1.031 -2.581 984 HD2 ALY 287 HD1 ALY 287 -10.874 0.287 -3.717 985 HG3 ALY 287 HG2 ALY 287 -13.201 -0.601 -3.742 986 HG2 ALY 287 HG1 ALY 287 -13.074 1.131 -3.450 987 HB3 ALY 287 HB2 ALY 287 -13.336 0.733 -1.046 988 HB2 ALY 287 HB1 ALY 287 -13.493 -0.989 -1.355 989 HCA ALY 287 HA ALY 287 -15.363 1.073 -2.492 990 H ALY 287 HN ALY 287 -15.291 0.241 0.160 991 H GLN 288 HN GLN 288 -15.918 0.099 -4.388 992 HA GLN 288 HA GLN 288 -17.273 -2.415 -4.326 993 HB2 GLN 288 HB2 GLN 288 -16.483 -0.643 -6.639 994 HB3 GLN 288 HB1 GLN 288 -17.444 -2.102 -6.805 995 HG2 GLN 288 HG2 GLN 288 -19.121 -1.094 -5.272 996 HG3 GLN 288 HG1 GLN 288 -18.185 0.401 -5.316 997 HE21 GLN 288 HE21 GLN 288 -20.210 -1.767 -7.124 998 HE22 GLN 288 HE22 GLN 288 -20.537 -0.688 -8.436 999 H PHE 289 HN PHE 289 -15.273 -3.446 -3.396 1000 HA PHE 289 HA PHE 289 -13.653 -4.595 -5.578 1001 HB2 PHE 289 HB2 PHE 289 -12.905 -3.746 -2.815 1002 HB3 PHE 289 HB1 PHE 289 -12.109 -5.159 -3.488 1003 HD1 PHE 289 HD1 PHE 289 -13.070 -2.488 -5.777 1004 HD2 PHE 289 HD2 PHE 289 -9.995 -3.993 -3.259 1005 HE1 PHE 289 HE1 PHE 289 -11.429 -1.040 -6.908 1006 HE2 PHE 289 HE2 PHE 289 -8.361 -2.538 -4.366 1007 HZ PHE 289 HZ PHE 289 -9.074 -1.060 -6.202 1008 H LEU 290 HN LEU 290 -14.993 -6.330 -5.961 1009 HA LEU 290 HA LEU 290 -15.252 -8.259 -3.751 1010 HB2 LEU 290 HB2 LEU 290 -17.196 -7.788 -6.017 1011 HB3 LEU 290 HB1 LEU 290 -17.346 -9.034 -4.794 1012 HG LEU 290 HG LEU 290 -17.433 -6.062 -4.263 1013 HD11 LEU 290 HD11 LEU 290 -19.391 -6.830 -5.496 1014 HD12 LEU 290 HD12 LEU 290 -19.807 -6.413 -3.834 1015 HD13 LEU 290 HD13 LEU 290 -19.649 -8.105 -4.305 1016 HD21 LEU 290 HD21 LEU 290 -16.548 -7.289 -2.369 1017 HD22 LEU 290 HD22 LEU 290 -17.891 -8.426 -2.448 1018 HD23 LEU 290 HD23 LEU 290 -18.188 -6.743 -2.021 1019 H GLN 291 HN GLN 291 -13.658 -9.681 -4.183 1020 HA GLN 291 HA GLN 291 -12.875 -10.348 -6.855 1021 HB2 GLN 291 HB2 GLN 291 -12.145 -11.499 -4.167 1022 HB3 GLN 291 HB1 GLN 291 -11.472 -12.094 -5.677 1023 HG2 GLN 291 HG2 GLN 291 -11.254 -9.248 -4.729 1024 HG3 GLN 291 HG1 GLN 291 -10.019 -10.483 -4.478 1025 HE21 GLN 291 HE21 GLN 291 -11.624 -8.462 -6.810 1026 HE22 GLN 291 HE22 GLN 291 -10.482 -8.694 -8.087 1027 H SER 292 HN SER 292 -14.343 -11.378 -8.056 1028 HA SER 292 HA SER 292 -15.183 -14.026 -7.141 1029 HB2 SER 292 HB2 SER 292 -17.071 -12.371 -6.837 1030 HB3 SER 292 HB1 SER 292 -17.042 -12.111 -8.580 1031 HG SER 292 HG SER 292 -18.503 -13.825 -7.478 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 22.218 8.725 -1.770 2 H2 GLY 1 HT2 GLY 1 22.741 10.318 -1.571 3 H3 GLY 1 HT3 GLY 1 23.454 9.336 -2.742 4 HA2 GLY 1 HA1 GLY 1 20.659 10.326 -2.737 5 HA3 GLY 1 HA2 GLY 1 21.949 10.871 -3.797 6 H LYS 2 HN LYS 2 23.068 8.248 -4.260 7 HA LYS 2 HA LYS 2 21.186 7.368 -6.282 8 HB2 LYS 2 HB2 LYS 2 24.048 6.651 -5.688 9 HB3 LYS 2 HB1 LYS 2 23.096 5.838 -6.921 10 HG2 LYS 2 HG2 LYS 2 23.631 8.797 -6.862 11 HG3 LYS 2 HG1 LYS 2 24.544 7.625 -7.816 12 HD2 LYS 2 HD2 LYS 2 22.499 6.992 -8.997 13 HD3 LYS 2 HD1 LYS 2 21.581 8.150 -8.038 14 HE2 LYS 2 HE2 LYS 2 22.858 9.983 -8.983 15 HE3 LYS 2 HE1 LYS 2 23.851 8.848 -9.893 16 HZ1 LYS 2 HZ1 LYS 2 20.923 9.193 -10.220 17 HZ2 LYS 2 HZ2 LYS 2 21.910 8.166 -11.127 18 HZ3 LYS 2 HZ3 LYS 2 22.097 9.841 -11.249 19 H LEU 3 HN LEU 3 20.309 6.876 -3.702 20 HA LEU 3 HA LEU 3 19.298 5.293 -2.459 21 HB2 LEU 3 HB2 LEU 3 20.026 3.454 -4.736 22 HB3 LEU 3 HB1 LEU 3 19.001 3.025 -3.380 23 HG LEU 3 HG LEU 3 18.360 5.199 -5.366 24 HD11 LEU 3 HD11 LEU 3 17.438 2.335 -5.167 25 HD12 LEU 3 HD12 LEU 3 18.295 3.101 -6.507 26 HD13 LEU 3 HD13 LEU 3 16.633 3.567 -6.143 27 HD21 LEU 3 HD21 LEU 3 17.376 5.512 -3.135 28 HD22 LEU 3 HD22 LEU 3 16.677 3.895 -3.228 29 HD23 LEU 3 HD23 LEU 3 16.153 5.149 -4.352 30 H SER 4 HN SER 4 20.557 5.227 -0.713 31 HA SER 4 HA SER 4 22.964 3.721 -0.540 32 HB2 SER 4 HB2 SER 4 21.170 4.653 1.716 33 HB3 SER 4 HB1 SER 4 22.885 4.251 1.818 34 HG SER 4 HG SER 4 23.389 6.058 0.659 35 H GLU 5 HN GLU 5 22.942 2.016 1.459 36 HA GLU 5 HA GLU 5 21.896 -0.312 0.445 37 HB2 GLU 5 HB2 GLU 5 23.648 -0.131 2.205 38 HB3 GLU 5 HB1 GLU 5 22.387 0.224 3.375 39 HG2 GLU 5 HG2 GLU 5 23.098 -2.118 3.445 40 HG3 GLU 5 HG1 GLU 5 21.396 -1.942 3.023 41 H GLN 6 HN GLN 6 20.486 1.637 3.063 42 HA GLN 6 HA GLN 6 18.262 -0.028 3.516 43 HB2 GLN 6 HB2 GLN 6 18.791 2.881 4.097 44 HB3 GLN 6 HB1 GLN 6 17.241 2.141 4.476 45 HG2 GLN 6 HG2 GLN 6 19.000 2.321 6.328 46 HG3 GLN 6 HG1 GLN 6 18.137 0.796 6.134 47 HE21 GLN 6 HE21 GLN 6 19.263 -1.017 5.468 48 HE22 GLN 6 HE22 GLN 6 20.987 -1.071 5.399 49 H LEU 7 HN LEU 7 18.714 2.738 1.343 50 HA LEU 7 HA LEU 7 15.951 2.758 0.562 51 HB2 LEU 7 HB2 LEU 7 18.344 4.199 -0.570 52 HB3 LEU 7 HB1 LEU 7 16.703 4.427 -1.140 53 HG LEU 7 HG LEU 7 17.583 4.954 1.689 54 HD11 LEU 7 HD11 LEU 7 18.688 6.457 0.091 55 HD12 LEU 7 HD12 LEU 7 17.528 7.307 1.110 56 HD13 LEU 7 HD13 LEU 7 17.113 6.907 -0.557 57 HD21 LEU 7 HD21 LEU 7 15.268 4.548 1.713 58 HD22 LEU 7 HD22 LEU 7 15.028 5.393 0.182 59 HD23 LEU 7 HD23 LEU 7 15.424 6.306 1.637 60 H LYS 8 HN LYS 8 18.845 1.208 -0.562 61 HA LYS 8 HA LYS 8 17.753 0.412 -3.077 62 HB2 LYS 8 HB2 LYS 8 20.170 0.400 -2.704 63 HB3 LYS 8 HB1 LYS 8 19.975 -0.792 -1.432 64 HG2 LYS 8 HG2 LYS 8 20.787 -1.797 -3.506 65 HG3 LYS 8 HG1 LYS 8 19.212 -2.435 -3.037 66 HD2 LYS 8 HD2 LYS 8 19.272 -2.025 -5.427 67 HD3 LYS 8 HD1 LYS 8 18.135 -0.926 -4.650 68 HE2 LYS 8 HE2 LYS 8 19.447 0.249 -6.313 69 HE3 LYS 8 HE1 LYS 8 19.828 0.848 -4.701 70 HZ1 LYS 8 HZ1 LYS 8 21.824 -0.516 -4.712 71 HZ2 LYS 8 HZ2 LYS 8 21.818 0.534 -6.034 72 HZ3 LYS 8 HZ3 LYS 8 21.448 -1.099 -6.254 73 H HIS 9 HN HIS 9 17.785 -0.887 0.181 74 HA HIS 9 HA HIS 9 16.533 -3.343 -0.530 75 HB2 HIS 9 HB2 HIS 9 17.808 -2.548 1.702 76 HB3 HIS 9 HB1 HIS 9 16.143 -2.289 2.215 77 HD1 HIS 9 HD1 HIS 9 18.650 -4.817 2.204 78 HD2 HIS 9 HD2 HIS 9 14.534 -4.793 1.638 79 HE1 HIS 9 HE1 HIS 9 17.898 -7.179 2.606 80 HE2 HIS 9 HE2 HIS 9 15.439 -7.175 2.073 81 H CYS 10 HN CYS 10 15.366 -0.145 0.368 82 HA CYS 10 HA CYS 10 12.644 -0.944 0.632 83 HB2 CYS 10 HB2 CYS 10 12.075 1.344 0.752 84 HB3 CYS 10 HB1 CYS 10 13.648 1.213 1.538 85 HG CYS 10 HG CYS 10 14.500 1.908 -1.421 86 H ASN 11 HN ASN 11 14.707 -0.113 -2.020 87 HA ASN 11 HA ASN 11 12.642 0.190 -3.961 88 HB2 ASN 11 HB2 ASN 11 15.003 1.033 -4.212 89 HB3 ASN 11 HB1 ASN 11 15.517 -0.638 -4.415 90 HD21 ASN 11 HD21 ASN 11 13.814 2.029 -5.824 91 HD22 ASN 11 HD22 ASN 11 13.735 1.393 -7.432 92 H GLY 12 HN GLY 12 14.583 -2.468 -2.749 93 HA2 GLY 12 HA2 GLY 12 13.825 -4.381 -4.709 94 HA3 GLY 12 HA1 GLY 12 14.568 -4.728 -3.152 95 H ILE 13 HN ILE 13 12.721 -3.883 -1.348 96 HA ILE 13 HA ILE 13 10.818 -5.919 -1.357 97 HB ILE 13 HB ILE 13 10.850 -3.365 0.220 98 HG12 ILE 13 HG12 ILE 13 11.992 -6.104 0.625 99 HG13 ILE 13 HG11 ILE 13 12.804 -4.573 0.717 100 HG21 ILE 13 HG21 ILE 13 8.830 -5.360 0.025 101 HG22 ILE 13 HG22 ILE 13 8.857 -3.912 1.024 102 HG23 ILE 13 HG23 ILE 13 9.542 -5.418 1.634 103 HD11 ILE 13 HD11 ILE 13 11.670 -4.059 2.778 104 HD12 ILE 13 HD12 ILE 13 12.569 -5.556 2.903 105 HD13 ILE 13 HD13 ILE 13 10.818 -5.587 2.705 106 H LEU 14 HN LEU 14 10.496 -2.491 -2.158 107 HA LEU 14 HA LEU 14 7.767 -2.442 -2.736 108 HB2 LEU 14 HB2 LEU 14 9.813 -0.622 -2.871 109 HB3 LEU 14 HB1 LEU 14 9.459 -0.887 -4.565 110 HG LEU 14 HG LEU 14 7.370 -0.128 -2.543 111 HD11 LEU 14 HD11 LEU 14 9.171 1.531 -4.265 112 HD12 LEU 14 HD12 LEU 14 8.851 1.681 -2.537 113 HD13 LEU 14 HD13 LEU 14 7.608 2.128 -3.705 114 HD21 LEU 14 HD21 LEU 14 6.833 -1.224 -4.873 115 HD22 LEU 14 HD22 LEU 14 7.231 0.389 -5.469 116 HD23 LEU 14 HD23 LEU 14 5.937 0.185 -4.305 117 H LYS 15 HN LYS 15 10.522 -3.108 -4.839 118 HA LYS 15 HA LYS 15 9.251 -3.643 -7.213 119 HB2 LYS 15 HB2 LYS 15 11.481 -3.609 -7.539 120 HB3 LYS 15 HB1 LYS 15 11.817 -4.240 -5.935 121 HG2 LYS 15 HG2 LYS 15 12.586 -5.921 -7.290 122 HG3 LYS 15 HG1 LYS 15 10.961 -6.450 -6.894 123 HD2 LYS 15 HD2 LYS 15 10.142 -5.930 -9.008 124 HD3 LYS 15 HD1 LYS 15 11.508 -4.868 -9.374 125 HE2 LYS 15 HE2 LYS 15 12.986 -6.702 -9.591 126 HE3 LYS 15 HE1 LYS 15 11.802 -7.818 -8.924 127 HZ1 LYS 15 HZ1 LYS 15 11.982 -8.009 -11.330 128 HZ2 LYS 15 HZ2 LYS 15 11.557 -6.384 -11.514 129 HZ3 LYS 15 HZ3 LYS 15 10.438 -7.486 -10.888 130 H GLU 16 HN GLU 16 9.694 -5.665 -4.407 131 HA GLU 16 HA GLU 16 8.858 -8.089 -5.660 132 HB2 GLU 16 HB2 GLU 16 10.254 -8.079 -3.623 133 HB3 GLU 16 HB1 GLU 16 8.892 -7.432 -2.709 134 HG2 GLU 16 HG2 GLU 16 8.987 -9.780 -2.310 135 HG3 GLU 16 HG1 GLU 16 7.606 -9.469 -3.352 136 H LEU 17 HN LEU 17 7.263 -5.781 -3.486 137 HA LEU 17 HA LEU 17 4.734 -7.045 -3.463 138 HB2 LEU 17 HB2 LEU 17 5.396 -4.107 -3.141 139 HB3 LEU 17 HB1 LEU 17 3.879 -4.856 -2.698 140 HG LEU 17 HG LEU 17 6.448 -5.771 -1.445 141 HD11 LEU 17 HD11 LEU 17 6.250 -3.311 -1.225 142 HD12 LEU 17 HD12 LEU 17 6.163 -4.166 0.312 143 HD13 LEU 17 HD13 LEU 17 4.693 -3.540 -0.436 144 HD21 LEU 17 HD21 LEU 17 4.422 -7.136 -1.117 145 HD22 LEU 17 HD22 LEU 17 3.588 -5.722 -0.480 146 HD23 LEU 17 HD23 LEU 17 4.966 -6.396 0.385 147 H LEU 18 HN LEU 18 6.340 -5.047 -5.775 148 HA LEU 18 HA LEU 18 3.942 -4.559 -7.339 149 HB2 LEU 18 HB2 LEU 18 6.833 -3.838 -7.726 150 HB3 LEU 18 HB1 LEU 18 5.597 -3.493 -8.913 151 HG LEU 18 HG LEU 18 5.710 -2.419 -6.103 152 HD11 LEU 18 HD11 LEU 18 7.332 -1.318 -7.410 153 HD12 LEU 18 HD12 LEU 18 5.927 -0.247 -7.361 154 HD13 LEU 18 HD13 LEU 18 6.247 -1.215 -8.801 155 HD21 LEU 18 HD21 LEU 18 3.740 -1.253 -6.513 156 HD22 LEU 18 HD22 LEU 18 3.398 -2.872 -7.092 157 HD23 LEU 18 HD23 LEU 18 3.776 -1.588 -8.239 158 H SER 19 HN SER 19 6.249 -6.989 -7.065 159 HA SER 19 HA SER 19 6.488 -7.829 -9.753 160 HB2 SER 19 HB2 SER 19 6.766 -9.385 -7.171 161 HB3 SER 19 HB1 SER 19 7.209 -10.007 -8.761 162 HG SER 19 HG SER 19 8.258 -7.555 -7.833 163 H LYS 20 HN LYS 20 5.433 -9.387 -10.901 164 HA LYS 20 HA LYS 20 2.640 -9.414 -10.699 165 HB2 LYS 20 HB2 LYS 20 4.239 -9.826 -12.724 166 HB3 LYS 20 HB1 LYS 20 4.143 -11.511 -12.227 167 HG2 LYS 20 HG2 LYS 20 2.498 -11.236 -13.880 168 HG3 LYS 20 HG1 LYS 20 1.628 -11.252 -12.343 169 HD2 LYS 20 HD2 LYS 20 1.465 -8.843 -12.359 170 HD3 LYS 20 HD1 LYS 20 2.442 -8.758 -13.827 171 HE2 LYS 20 HE2 LYS 20 0.700 -10.045 -15.014 172 HE3 LYS 20 HE1 LYS 20 -0.284 -10.016 -13.550 173 HZ1 LYS 20 HZ1 LYS 20 -0.921 -8.292 -15.136 174 HZ2 LYS 20 HZ2 LYS 20 0.623 -7.616 -15.044 175 HZ3 LYS 20 HZ3 LYS 20 -0.377 -7.623 -13.683 176 H LYS 21 HN LYS 21 5.059 -11.499 -9.413 177 HA LYS 21 HA LYS 21 3.660 -13.797 -8.781 178 HB2 LYS 21 HB2 LYS 21 6.009 -13.662 -8.361 179 HB3 LYS 21 HB1 LYS 21 5.807 -12.293 -7.288 180 HG2 LYS 21 HG2 LYS 21 4.614 -13.748 -5.702 181 HG3 LYS 21 HG1 LYS 21 4.938 -15.127 -6.748 182 HD2 LYS 21 HD2 LYS 21 7.395 -14.503 -6.542 183 HD3 LYS 21 HD1 LYS 21 6.895 -13.445 -5.216 184 HE2 LYS 21 HE2 LYS 21 7.486 -15.469 -4.178 185 HE3 LYS 21 HE1 LYS 21 5.724 -15.478 -4.261 186 HZ1 LYS 21 HZ1 LYS 21 6.661 -17.612 -4.901 187 HZ2 LYS 21 HZ2 LYS 21 7.517 -16.878 -6.160 188 HZ3 LYS 21 HZ3 LYS 21 5.828 -16.900 -6.187 189 H HIS 22 HN HIS 22 3.592 -10.639 -7.214 190 HA HIS 22 HA HIS 22 1.753 -11.713 -5.179 191 HB2 HIS 22 HB2 HIS 22 3.307 -9.099 -5.166 192 HB3 HIS 22 HB1 HIS 22 2.266 -9.682 -3.855 193 HD1 HIS 22 HD1 HIS 22 3.178 -11.682 -2.407 194 HD2 HIS 22 HD2 HIS 22 5.832 -10.265 -5.292 195 HE1 HIS 22 HE1 HIS 22 5.407 -12.694 -1.821 196 HE2 HIS 22 HE2 HIS 22 7.008 -11.805 -3.577 197 H ALA 23 HN ALA 23 1.870 -9.930 -8.019 198 HA ALA 23 HA ALA 23 0.162 -7.813 -7.742 199 HB1 ALA 23 HB1 ALA 23 1.434 -8.377 -9.755 200 HB2 ALA 23 HB2 ALA 23 -0.247 -7.973 -10.104 201 HB3 ALA 23 HB3 ALA 23 0.276 -9.658 -10.112 202 H ALA 24 HN ALA 24 -0.702 -11.195 -8.025 203 HA ALA 24 HA ALA 24 -3.394 -11.053 -8.620 204 HB1 ALA 24 HB1 ALA 24 -1.839 -12.978 -6.915 205 HB2 ALA 24 HB2 ALA 24 -2.335 -13.162 -8.599 206 HB3 ALA 24 HB3 ALA 24 -3.541 -13.214 -7.314 207 H TYR 25 HN TYR 25 -1.780 -10.335 -5.616 208 HA TYR 25 HA TYR 25 -4.344 -9.460 -4.495 209 HB2 TYR 25 HB2 TYR 25 -3.426 -10.280 -2.222 210 HB3 TYR 25 HB1 TYR 25 -4.096 -11.470 -3.335 211 HD1 TYR 25 HD1 TYR 25 -0.852 -10.010 -2.220 212 HD2 TYR 25 HD2 TYR 25 -2.873 -13.333 -3.938 213 HE1 TYR 25 HE1 TYR 25 1.201 -11.351 -2.051 214 HE2 TYR 25 HE2 TYR 25 -0.814 -14.665 -3.803 215 HH TYR 25 HH TYR 25 1.524 -14.414 -3.599 216 H ALA 26 HN ALA 26 -1.822 -8.294 -5.748 217 HA ALA 26 HA ALA 26 -1.236 -6.345 -3.615 218 HB1 ALA 26 HB1 ALA 26 0.746 -7.646 -4.341 219 HB2 ALA 26 HB2 ALA 26 0.900 -5.921 -4.675 220 HB3 ALA 26 HB3 ALA 26 0.506 -7.035 -5.978 221 H TRP 27 HN TRP 27 -2.685 -6.789 -6.668 222 HA TRP 27 HA TRP 27 -2.094 -4.412 -7.956 223 HB2 TRP 27 HB2 TRP 27 -4.159 -4.745 -9.269 224 HB3 TRP 27 HB1 TRP 27 -3.176 -6.193 -9.156 225 HD1 TRP 27 HD1 TRP 27 -4.223 -8.288 -7.939 226 HE1 TRP 27 HE1 TRP 27 -6.614 -8.883 -7.226 227 HE3 TRP 27 HE3 TRP 27 -6.377 -3.655 -8.331 228 HZ2 TRP 27 HZ2 TRP 27 -9.090 -7.581 -6.889 229 HZ3 TRP 27 HZ3 TRP 27 -8.767 -3.429 -7.808 230 HH2 TRP 27 HH2 TRP 27 -10.095 -5.350 -7.098 231 HA PRO 28 HA PRO 28 -6.025 -2.449 -5.661 232 HB2 PRO 28 HB2 PRO 28 -5.604 -2.944 -2.919 233 HB3 PRO 28 HB1 PRO 28 -6.956 -3.521 -3.890 234 HG2 PRO 28 HG2 PRO 28 -4.507 -4.924 -3.009 235 HG3 PRO 28 HG1 PRO 28 -6.094 -5.593 -3.432 236 HD2 PRO 28 HD2 PRO 28 -3.911 -5.842 -5.024 237 HD3 PRO 28 HD1 PRO 28 -5.566 -5.789 -5.657 238 H PHE 29 HN PHE 29 -2.717 -2.892 -4.754 239 HA PHE 29 HA PHE 29 -2.681 -0.240 -3.463 240 HB2 PHE 29 HB2 PHE 29 -0.441 -2.200 -3.174 241 HB3 PHE 29 HB1 PHE 29 -0.942 -0.904 -2.087 242 HD1 PHE 29 HD1 PHE 29 -0.895 -4.351 -2.570 243 HD2 PHE 29 HD2 PHE 29 -3.395 -1.231 -1.105 244 HE1 PHE 29 HE1 PHE 29 -2.142 -5.982 -1.237 245 HE2 PHE 29 HE2 PHE 29 -4.652 -2.867 0.234 246 HZ PHE 29 HZ PHE 29 -4.023 -5.245 0.164 247 H TYR 30 HN TYR 30 -1.696 -1.879 -6.260 248 HA TYR 30 HA TYR 30 0.691 -0.612 -6.939 249 HB2 TYR 30 HB2 TYR 30 -1.652 -1.495 -8.618 250 HB3 TYR 30 HB1 TYR 30 -0.242 -0.735 -9.347 251 HD1 TYR 30 HD1 TYR 30 0.416 -2.719 -6.443 252 HD2 TYR 30 HD2 TYR 30 -0.045 -2.905 -10.655 253 HE1 TYR 30 HE1 TYR 30 1.584 -4.873 -6.458 254 HE2 TYR 30 HE2 TYR 30 1.114 -5.073 -10.688 255 HH TYR 30 HH TYR 30 1.965 -6.736 -7.719 256 H LYS 31 HN LYS 31 -2.633 0.505 -7.491 257 HA LYS 31 HA LYS 31 -1.691 3.268 -7.371 258 HB2 LYS 31 HB2 LYS 31 -3.316 1.997 -9.549 259 HB3 LYS 31 HB1 LYS 31 -3.445 3.720 -9.221 260 HG2 LYS 31 HG2 LYS 31 -1.005 3.921 -9.571 261 HG3 LYS 31 HG1 LYS 31 -0.966 2.215 -10.019 262 HD2 LYS 31 HD2 LYS 31 -2.351 2.609 -11.922 263 HD3 LYS 31 HD1 LYS 31 -2.679 4.266 -11.408 264 HE2 LYS 31 HE2 LYS 31 -0.000 3.160 -12.244 265 HE3 LYS 31 HE1 LYS 31 -1.032 4.216 -13.207 266 HZ1 LYS 31 HZ1 LYS 31 0.270 4.904 -10.627 267 HZ2 LYS 31 HZ2 LYS 31 -0.800 5.909 -11.460 268 HZ3 LYS 31 HZ3 LYS 31 0.682 5.500 -12.154 269 HA PRO 32 HA PRO 32 -5.070 3.965 -4.626 270 HB2 PRO 32 HB2 PRO 32 -6.074 6.359 -5.549 271 HB3 PRO 32 HB1 PRO 32 -4.636 6.213 -4.535 272 HG2 PRO 32 HG2 PRO 32 -4.839 6.515 -7.505 273 HG3 PRO 32 HG1 PRO 32 -3.718 7.296 -6.373 274 HD2 PRO 32 HD2 PRO 32 -2.945 5.227 -7.873 275 HD3 PRO 32 HD1 PRO 32 -2.384 5.406 -6.197 276 H VAL 33 HN VAL 33 -7.326 3.904 -4.437 277 HA VAL 33 HA VAL 33 -8.548 2.326 -6.432 278 HB VAL 33 HB VAL 33 -10.244 1.958 -4.945 279 HG11 VAL 33 HG11 VAL 33 -8.160 1.448 -3.827 280 HG12 VAL 33 HG12 VAL 33 -9.385 1.956 -2.671 281 HG13 VAL 33 HG13 VAL 33 -8.109 3.074 -3.150 282 HG21 VAL 33 HG21 VAL 33 -11.469 3.853 -4.711 283 HG22 VAL 33 HG22 VAL 33 -10.066 4.851 -4.322 284 HG23 VAL 33 HG23 VAL 33 -10.748 3.774 -3.102 285 H ASP 34 HN ASP 34 -10.388 2.741 -7.690 286 HA ASP 34 HA ASP 34 -10.410 5.432 -8.785 287 HB2 ASP 34 HB2 ASP 34 -11.882 2.926 -9.664 288 HB3 ASP 34 HB1 ASP 34 -11.956 4.470 -10.497 289 H ALA 35 HN ALA 35 -11.310 6.197 -6.670 290 HA ALA 35 HA ALA 35 -13.752 5.425 -5.617 291 HB1 ALA 35 HB1 ALA 35 -12.860 6.773 -4.088 292 HB2 ALA 35 HB2 ALA 35 -13.625 8.088 -4.985 293 HB3 ALA 35 HB3 ALA 35 -11.940 7.675 -5.297 294 H SER 36 HN SER 36 -13.106 7.732 -8.208 295 HA SER 36 HA SER 36 -15.680 8.864 -8.340 296 HB2 SER 36 HB2 SER 36 -13.770 8.462 -10.651 297 HB3 SER 36 HB1 SER 36 -15.028 9.687 -10.509 298 HG SER 36 HG SER 36 -12.903 10.474 -10.016 299 H ALA 37 HN ALA 37 -14.263 6.016 -9.868 300 HA ALA 37 HA ALA 37 -16.671 5.409 -11.347 301 HB1 ALA 37 HB1 ALA 37 -14.114 3.857 -10.956 302 HB2 ALA 37 HB2 ALA 37 -14.532 4.873 -12.338 303 HB3 ALA 37 HB3 ALA 37 -15.427 3.384 -12.035 304 H LEU 38 HN LEU 38 -15.225 4.591 -8.329 305 HA LEU 38 HA LEU 38 -16.768 2.199 -7.885 306 HB2 LEU 38 HB2 LEU 38 -14.880 3.808 -6.181 307 HB3 LEU 38 HB1 LEU 38 -15.711 2.387 -5.579 308 HG LEU 38 HG LEU 38 -13.979 2.258 -8.034 309 HD11 LEU 38 HD11 LEU 38 -13.109 2.003 -5.155 310 HD12 LEU 38 HD12 LEU 38 -12.529 3.152 -6.359 311 HD13 LEU 38 HD13 LEU 38 -12.174 1.436 -6.537 312 HD21 LEU 38 HD21 LEU 38 -14.795 0.196 -5.995 313 HD22 LEU 38 HD22 LEU 38 -13.826 -0.090 -7.440 314 HD23 LEU 38 HD23 LEU 38 -15.514 0.399 -7.592 315 H GLY 39 HN GLY 39 -17.422 5.479 -7.646 316 HA2 GLY 39 HA2 GLY 39 -19.404 6.489 -6.959 317 HA3 GLY 39 HA1 GLY 39 -19.891 4.968 -6.221 318 H LEU 40 HN LEU 40 -16.802 5.717 -5.311 319 HA LEU 40 HA LEU 40 -17.661 6.314 -2.628 320 HB2 LEU 40 HB2 LEU 40 -14.827 6.075 -3.577 321 HB3 LEU 40 HB1 LEU 40 -15.472 5.746 -1.985 322 HG LEU 40 HG LEU 40 -15.789 4.073 -4.463 323 HD11 LEU 40 HD11 LEU 40 -13.730 3.620 -3.492 324 HD12 LEU 40 HD12 LEU 40 -14.784 2.354 -2.900 325 HD13 LEU 40 HD13 LEU 40 -14.366 3.710 -1.856 326 HD21 LEU 40 HD21 LEU 40 -17.109 3.708 -1.795 327 HD22 LEU 40 HD22 LEU 40 -17.090 2.513 -3.080 328 HD23 LEU 40 HD23 LEU 40 -17.912 4.056 -3.316 329 H HIS 41 HN HIS 41 -18.484 8.459 -3.129 330 HA HIS 41 HA HIS 41 -16.881 10.474 -4.322 331 HB2 HIS 41 HB2 HIS 41 -19.245 10.957 -2.502 332 HB3 HIS 41 HB1 HIS 41 -18.623 12.022 -3.750 333 HD1 HIS 41 HD1 HIS 41 -19.259 11.501 -6.202 334 HD2 HIS 41 HD2 HIS 41 -20.961 8.882 -3.428 335 HE1 HIS 41 HE1 HIS 41 -21.056 10.259 -7.443 336 HE2 HIS 41 HE2 HIS 41 -22.106 8.733 -5.736 337 H ASP 42 HN ASP 42 -16.854 9.207 -1.169 338 HA ASP 42 HA ASP 42 -15.733 11.694 -0.074 339 HB2 ASP 42 HB2 ASP 42 -17.368 9.537 1.205 340 HB3 ASP 42 HB1 ASP 42 -16.359 10.596 2.176 341 H TYR 43 HN TYR 43 -14.288 9.564 -1.530 342 HA TYR 43 HA TYR 43 -12.982 7.866 0.305 343 HB2 TYR 43 HB2 TYR 43 -13.071 7.294 -2.035 344 HB3 TYR 43 HB1 TYR 43 -12.206 8.749 -2.485 345 HD1 TYR 43 HD1 TYR 43 -11.880 5.477 -0.828 346 HD2 TYR 43 HD2 TYR 43 -9.818 8.795 -2.491 347 HE1 TYR 43 HE1 TYR 43 -9.789 4.189 -0.771 348 HE2 TYR 43 HE2 TYR 43 -7.716 7.519 -2.435 349 HH TYR 43 HH TYR 43 -6.808 5.516 -1.020 350 H HIS 44 HN HIS 44 -12.165 11.068 -0.944 351 HA HIS 44 HA HIS 44 -9.563 11.027 0.298 352 HB2 HIS 44 HB2 HIS 44 -11.121 13.180 -1.115 353 HB3 HIS 44 HB1 HIS 44 -9.583 13.505 -0.328 354 HD1 HIS 44 HD1 HIS 44 -7.461 12.718 -1.501 355 HD2 HIS 44 HD2 HIS 44 -10.954 11.557 -3.435 356 HE1 HIS 44 HE1 HIS 44 -6.738 11.844 -3.747 357 HE2 HIS 44 HE2 HIS 44 -8.875 11.233 -4.933 358 H ASP 45 HN ASP 45 -12.678 11.562 1.433 359 HA ASP 45 HA ASP 45 -11.921 13.468 3.477 360 HB2 ASP 45 HB2 ASP 45 -14.485 12.050 2.808 361 HB3 ASP 45 HB1 ASP 45 -14.302 12.927 4.324 362 H ILE 46 HN ILE 46 -12.470 10.030 3.170 363 HA ILE 46 HA ILE 46 -12.013 9.606 6.007 364 HB ILE 46 HB ILE 46 -12.592 7.713 3.725 365 HG12 ILE 46 HG12 ILE 46 -14.500 7.100 5.174 366 HG13 ILE 46 HG11 ILE 46 -14.021 8.347 6.316 367 HG21 ILE 46 HG21 ILE 46 -11.116 6.374 4.930 368 HG22 ILE 46 HG22 ILE 46 -12.667 5.967 5.649 369 HG23 ILE 46 HG23 ILE 46 -11.576 7.078 6.474 370 HD11 ILE 46 HD11 ILE 46 -14.913 8.813 3.476 371 HD12 ILE 46 HD12 ILE 46 -14.436 10.055 4.631 372 HD13 ILE 46 HD13 ILE 46 -15.872 9.078 4.930 373 H ILE 47 HN ILE 47 -10.426 8.981 2.918 374 HA ILE 47 HA ILE 47 -8.026 8.029 4.236 375 HB ILE 47 HB ILE 47 -8.464 8.583 1.301 376 HG12 ILE 47 HG12 ILE 47 -10.060 6.900 2.254 377 HG13 ILE 47 HG11 ILE 47 -8.986 6.250 1.019 378 HG21 ILE 47 HG21 ILE 47 -6.617 6.727 1.284 379 HG22 ILE 47 HG22 ILE 47 -6.293 7.336 2.904 380 HG23 ILE 47 HG23 ILE 47 -6.193 8.418 1.517 381 HD11 ILE 47 HD11 ILE 47 -8.658 5.955 3.983 382 HD12 ILE 47 HD12 ILE 47 -7.588 5.287 2.752 383 HD13 ILE 47 HD13 ILE 47 -9.248 4.721 2.874 384 H LYS 48 HN LYS 48 -6.927 9.610 5.241 385 HA LYS 48 HA LYS 48 -6.741 12.255 4.076 386 HB2 LYS 48 HB2 LYS 48 -5.700 11.077 6.643 387 HB3 LYS 48 HB1 LYS 48 -5.378 12.728 6.143 388 HG2 LYS 48 HG2 LYS 48 -8.115 11.577 6.547 389 HG3 LYS 48 HG1 LYS 48 -7.254 12.520 7.747 390 HD2 LYS 48 HD2 LYS 48 -8.003 13.480 4.995 391 HD3 LYS 48 HD1 LYS 48 -8.923 13.826 6.459 392 HE2 LYS 48 HE2 LYS 48 -6.072 14.532 5.959 393 HE3 LYS 48 HE1 LYS 48 -7.414 15.656 5.801 394 HZ1 LYS 48 HZ1 LYS 48 -6.495 14.318 8.291 395 HZ2 LYS 48 HZ2 LYS 48 -7.892 15.262 8.178 396 HZ3 LYS 48 HZ3 LYS 48 -6.377 15.965 7.926 397 H HIS 49 HN HIS 49 -4.791 9.409 4.439 398 HA HIS 49 HA HIS 49 -2.647 10.754 2.928 399 HB2 HIS 49 HB2 HIS 49 -2.477 8.782 5.181 400 HB3 HIS 49 HB1 HIS 49 -1.160 8.925 4.021 401 HD1 HIS 49 HD1 HIS 49 -1.015 9.695 7.108 402 HD2 HIS 49 HD2 HIS 49 -1.536 12.379 3.966 403 HE1 HIS 49 HE1 HIS 49 -0.163 11.901 7.948 404 HE2 HIS 49 HE2 HIS 49 -0.373 13.475 5.994 405 HA PRO 50 HA PRO 50 -4.278 7.156 0.407 406 HB2 PRO 50 HB2 PRO 50 -4.571 8.561 -1.901 407 HB3 PRO 50 HB1 PRO 50 -5.854 8.419 -0.694 408 HG2 PRO 50 HG2 PRO 50 -3.911 10.655 -1.139 409 HG3 PRO 50 HG1 PRO 50 -5.658 10.734 -0.827 410 HD2 PRO 50 HD2 PRO 50 -3.838 11.169 1.124 411 HD3 PRO 50 HD1 PRO 50 -5.399 10.380 1.448 412 H MET 51 HN MET 51 -2.416 6.046 0.177 413 HA MET 51 HA MET 51 -0.461 7.135 -1.717 414 HB2 MET 51 HB2 MET 51 0.518 7.437 0.459 415 HB3 MET 51 HB1 MET 51 0.117 5.794 0.943 416 HG2 MET 51 HG2 MET 51 2.525 6.154 0.400 417 HG3 MET 51 HG1 MET 51 1.755 4.891 -0.564 418 HE1 MET 51 HE1 MET 51 2.757 8.639 -0.483 419 HE2 MET 51 HE2 MET 51 1.167 8.762 -1.227 420 HE3 MET 51 HE3 MET 51 2.613 9.130 -2.167 421 H ASP 52 HN ASP 52 0.695 5.615 -2.914 422 HA ASP 52 HA ASP 52 -0.265 2.848 -2.875 423 HB2 ASP 52 HB2 ASP 52 -0.518 2.895 -5.341 424 HB3 ASP 52 HB1 ASP 52 -1.640 4.004 -4.555 425 H LEU 53 HN LEU 53 1.159 1.421 -4.105 426 HA LEU 53 HA LEU 53 3.822 1.849 -3.285 427 HB2 LEU 53 HB2 LEU 53 2.502 -0.256 -4.957 428 HB3 LEU 53 HB1 LEU 53 4.231 -0.263 -4.686 429 HG LEU 53 HG LEU 53 2.230 -0.240 -2.441 430 HD11 LEU 53 HD11 LEU 53 2.047 -2.219 -3.967 431 HD12 LEU 53 HD12 LEU 53 2.419 -2.596 -2.292 432 HD13 LEU 53 HD13 LEU 53 3.691 -2.639 -3.514 433 HD21 LEU 53 HD21 LEU 53 4.385 0.496 -1.760 434 HD22 LEU 53 HD22 LEU 53 5.173 -0.835 -2.596 435 HD23 LEU 53 HD23 LEU 53 4.170 -1.150 -1.181 436 H SER 54 HN SER 54 2.224 2.488 -6.289 437 HA SER 54 HA SER 54 4.622 2.654 -7.860 438 HB2 SER 54 HB2 SER 54 2.503 2.322 -9.004 439 HB3 SER 54 HB1 SER 54 1.858 3.820 -8.330 440 HG SER 54 HG SER 54 3.234 3.465 -10.575 441 H THR 55 HN THR 55 2.655 5.000 -6.063 442 HA THR 55 HA THR 55 4.270 7.255 -6.744 443 HB THR 55 HB THR 55 2.444 7.018 -4.354 444 HG1 THR 55 HG1 THR 55 1.036 6.690 -5.983 445 HG21 THR 55 HG21 THR 55 4.088 8.929 -4.593 446 HG22 THR 55 HG22 THR 55 2.396 9.373 -4.384 447 HG23 THR 55 HG23 THR 55 3.139 9.448 -5.983 448 H VAL 56 HN VAL 56 4.262 4.941 -4.067 449 HA VAL 56 HA VAL 56 6.159 6.210 -2.434 450 HB VAL 56 HB VAL 56 5.785 3.242 -2.904 451 HG11 VAL 56 HG11 VAL 56 7.986 3.740 -1.937 452 HG12 VAL 56 HG12 VAL 56 6.933 2.927 -0.772 453 HG13 VAL 56 HG13 VAL 56 7.205 4.666 -0.652 454 HG21 VAL 56 HG21 VAL 56 3.807 4.501 -2.054 455 HG22 VAL 56 HG22 VAL 56 4.768 4.952 -0.645 456 HG23 VAL 56 HG23 VAL 56 4.402 3.255 -0.956 457 H LYS 57 HN LYS 57 6.543 3.942 -5.101 458 HA LYS 57 HA LYS 57 9.354 3.903 -5.112 459 HB2 LYS 57 HB2 LYS 57 7.327 2.587 -6.416 460 HB3 LYS 57 HB1 LYS 57 8.052 3.538 -7.700 461 HG2 LYS 57 HG2 LYS 57 10.155 2.530 -7.389 462 HG3 LYS 57 HG1 LYS 57 9.670 1.794 -5.885 463 HD2 LYS 57 HD2 LYS 57 8.114 0.366 -7.017 464 HD3 LYS 57 HD1 LYS 57 8.448 1.149 -8.550 465 HE2 LYS 57 HE2 LYS 57 10.839 0.417 -8.270 466 HE3 LYS 57 HE1 LYS 57 10.307 -0.511 -6.867 467 HZ1 LYS 57 HZ1 LYS 57 8.903 -1.830 -8.263 468 HZ2 LYS 57 HZ2 LYS 57 10.457 -1.826 -8.927 469 HZ3 LYS 57 HZ3 LYS 57 9.243 -0.872 -9.611 470 H ARG 58 HN ARG 58 6.950 5.832 -6.792 471 HA ARG 58 HA ARG 58 8.557 7.309 -8.503 472 HB2 ARG 58 HB2 ARG 58 6.100 7.335 -8.478 473 HB3 ARG 58 HB1 ARG 58 6.125 8.211 -6.958 474 HG2 ARG 58 HG2 ARG 58 7.253 10.083 -8.076 475 HG3 ARG 58 HG1 ARG 58 7.136 9.221 -9.606 476 HD2 ARG 58 HD2 ARG 58 4.718 9.239 -9.455 477 HD3 ARG 58 HD1 ARG 58 4.810 9.998 -7.868 478 HE ARG 58 HE ARG 58 6.085 11.490 -9.981 479 HH11 ARG 58 HH11 ARG 58 3.103 10.891 -8.261 480 HH12 ARG 58 HH12 ARG 58 2.430 12.452 -8.612 481 HH21 ARG 58 HH21 ARG 58 5.205 13.542 -10.470 482 HH22 ARG 58 HH22 ARG 58 3.633 13.965 -9.871 483 H LYS 59 HN LYS 59 7.580 8.139 -5.176 484 HA LYS 59 HA LYS 59 9.205 10.482 -5.058 485 HB2 LYS 59 HB2 LYS 59 7.962 8.853 -2.824 486 HB3 LYS 59 HB1 LYS 59 8.707 10.434 -2.629 487 HG2 LYS 59 HG2 LYS 59 7.013 11.507 -3.853 488 HG3 LYS 59 HG1 LYS 59 6.399 9.979 -4.487 489 HD2 LYS 59 HD2 LYS 59 4.935 10.885 -2.747 490 HD3 LYS 59 HD1 LYS 59 5.634 9.341 -2.261 491 HE2 LYS 59 HE2 LYS 59 7.112 11.777 -1.458 492 HE3 LYS 59 HE1 LYS 59 5.559 11.507 -0.677 493 HZ1 LYS 59 HZ1 LYS 59 6.292 9.424 0.154 494 HZ2 LYS 59 HZ2 LYS 59 7.502 10.553 0.509 495 HZ3 LYS 59 HZ3 LYS 59 7.705 9.471 -0.771 496 H MET 60 HN MET 60 9.760 7.106 -4.417 497 HA MET 60 HA MET 60 12.266 7.430 -3.095 498 HB2 MET 60 HB2 MET 60 11.035 5.311 -2.966 499 HB3 MET 60 HB1 MET 60 11.216 5.089 -4.701 500 HG2 MET 60 HG2 MET 60 13.752 5.230 -4.199 501 HG3 MET 60 HG1 MET 60 13.265 4.876 -2.545 502 HE1 MET 60 HE1 MET 60 11.709 2.858 -1.936 503 HE2 MET 60 HE2 MET 60 11.373 1.489 -2.991 504 HE3 MET 60 HE3 MET 60 10.612 3.049 -3.300 505 H GLU 61 HN GLU 61 11.276 7.085 -6.478 506 HA GLU 61 HA GLU 61 13.888 6.952 -7.563 507 HB2 GLU 61 HB2 GLU 61 11.238 7.780 -8.725 508 HB3 GLU 61 HB1 GLU 61 12.716 7.842 -9.670 509 HG2 GLU 61 HG2 GLU 61 12.991 5.374 -9.022 510 HG3 GLU 61 HG1 GLU 61 11.293 5.456 -8.553 511 H ASN 62 HN ASN 62 11.883 9.575 -6.512 512 HA ASN 62 HA ASN 62 13.584 11.616 -7.652 513 HB2 ASN 62 HB2 ASN 62 11.239 11.712 -5.748 514 HB3 ASN 62 HB1 ASN 62 12.165 13.145 -6.172 515 HD21 ASN 62 HD21 ASN 62 11.547 10.579 -8.461 516 HD22 ASN 62 HD22 ASN 62 10.455 11.470 -9.458 517 H ARG 63 HN ARG 63 13.813 9.497 -5.218 518 HA ARG 63 HA ARG 63 15.197 9.160 -3.481 519 HB2 ARG 63 HB2 ARG 63 16.793 11.408 -4.708 520 HB3 ARG 63 HB1 ARG 63 17.399 10.154 -3.638 521 HG2 ARG 63 HG2 ARG 63 16.207 9.623 -6.350 522 HG3 ARG 63 HG1 ARG 63 17.936 9.810 -6.029 523 HD2 ARG 63 HD2 ARG 63 18.057 7.850 -4.789 524 HD3 ARG 63 HD1 ARG 63 16.319 7.792 -4.509 525 HE ARG 63 HE ARG 63 16.053 6.742 -6.529 526 HH11 ARG 63 HH11 ARG 63 19.302 8.044 -6.359 527 HH12 ARG 63 HH12 ARG 63 19.836 7.216 -7.792 528 HH21 ARG 63 HH21 ARG 63 16.772 5.637 -8.393 529 HH22 ARG 63 HH22 ARG 63 18.407 5.845 -8.933 530 H ASP 64 HN ASP 64 13.013 10.995 -3.111 531 HA ASP 64 HA ASP 64 13.953 13.063 -1.346 532 HB2 ASP 64 HB2 ASP 64 11.233 11.904 -1.909 533 HB3 ASP 64 HB1 ASP 64 11.483 13.092 -0.636 534 H TYR 65 HN TYR 65 13.426 9.735 -1.068 535 HA TYR 65 HA TYR 65 12.960 9.638 1.769 536 HB2 TYR 65 HB2 TYR 65 13.812 7.473 -0.170 537 HB3 TYR 65 HB1 TYR 65 13.386 7.201 1.514 538 HD1 TYR 65 HD1 TYR 65 11.577 5.695 1.110 539 HD2 TYR 65 HD2 TYR 65 11.592 9.530 -0.715 540 HE1 TYR 65 HE1 TYR 65 9.228 5.388 0.431 541 HE2 TYR 65 HE2 TYR 65 9.263 9.229 -1.373 542 HH TYR 65 HH TYR 65 7.753 7.063 -1.855 543 H ARG 66 HN ARG 66 14.434 9.356 3.367 544 HA ARG 66 HA ARG 66 17.262 9.461 2.582 545 HB2 ARG 66 HB2 ARG 66 16.511 11.203 4.130 546 HB3 ARG 66 HB1 ARG 66 15.920 9.983 5.247 547 HG2 ARG 66 HG2 ARG 66 18.258 9.183 5.537 548 HG3 ARG 66 HG1 ARG 66 18.793 10.528 4.521 549 HD2 ARG 66 HD2 ARG 66 19.037 11.160 6.817 550 HD3 ARG 66 HD1 ARG 66 17.696 12.079 6.128 551 HE ARG 66 HE ARG 66 16.998 9.601 7.489 552 HH11 ARG 66 HH11 ARG 66 17.316 13.090 7.703 553 HH12 ARG 66 HH12 ARG 66 16.239 13.231 9.054 554 HH21 ARG 66 HH21 ARG 66 15.595 9.788 9.273 555 HH22 ARG 66 HH22 ARG 66 15.257 11.349 9.948 556 H ASP 67 HN ASP 67 14.885 7.501 4.241 557 HA ASP 67 HA ASP 67 16.911 5.445 4.715 558 HB2 ASP 67 HB2 ASP 67 15.011 6.534 6.814 559 HB3 ASP 67 HB1 ASP 67 15.933 5.052 6.995 560 H ALA 68 HN ALA 68 15.914 3.338 5.144 561 HA ALA 68 HA ALA 68 13.706 2.855 3.398 562 HB1 ALA 68 HB1 ALA 68 15.021 1.014 5.386 563 HB2 ALA 68 HB2 ALA 68 15.492 1.207 3.696 564 HB3 ALA 68 HB3 ALA 68 13.914 0.528 4.102 565 H GLN 69 HN GLN 69 14.066 3.678 6.659 566 HA GLN 69 HA GLN 69 11.651 2.604 7.677 567 HB2 GLN 69 HB2 GLN 69 13.569 3.440 9.079 568 HB3 GLN 69 HB1 GLN 69 13.089 5.076 8.647 569 HG2 GLN 69 HG2 GLN 69 12.147 4.652 10.757 570 HG3 GLN 69 HG1 GLN 69 10.833 4.542 9.587 571 HE21 GLN 69 HE21 GLN 69 12.856 2.819 11.785 572 HE22 GLN 69 HE22 GLN 69 11.952 1.343 11.786 573 H GLU 70 HN GLU 70 12.581 5.647 6.166 574 HA GLU 70 HA GLU 70 10.081 6.925 6.369 575 HB2 GLU 70 HB2 GLU 70 12.293 7.298 4.335 576 HB3 GLU 70 HB1 GLU 70 10.901 8.361 4.523 577 HG2 GLU 70 HG2 GLU 70 11.649 8.715 6.902 578 HG3 GLU 70 HG1 GLU 70 13.143 7.889 6.457 579 H PHE 71 HN PHE 71 11.489 4.708 4.061 580 HA PHE 71 HA PHE 71 9.361 4.725 2.210 581 HB2 PHE 71 HB2 PHE 71 11.191 3.627 1.330 582 HB3 PHE 71 HB1 PHE 71 11.580 2.815 2.843 583 HD1 PHE 71 HD1 PHE 71 9.381 2.779 -0.107 584 HD2 PHE 71 HD2 PHE 71 10.621 0.691 3.377 585 HE1 PHE 71 HE1 PHE 71 8.232 0.755 -0.912 586 HE2 PHE 71 HE2 PHE 71 9.472 -1.321 2.588 587 HZ PHE 71 HZ PHE 71 8.282 -1.303 0.438 588 H ALA 72 HN ALA 72 10.101 2.542 4.928 589 HA ALA 72 HA ALA 72 7.831 0.982 4.830 590 HB1 ALA 72 HB1 ALA 72 9.533 1.818 7.166 591 HB2 ALA 72 HB2 ALA 72 9.598 0.311 6.255 592 HB3 ALA 72 HB3 ALA 72 8.222 0.648 7.303 593 H ALA 73 HN ALA 73 8.358 4.091 6.363 594 HA ALA 73 HA ALA 73 5.945 4.435 7.672 595 HB1 ALA 73 HB1 ALA 73 7.894 6.321 6.400 596 HB2 ALA 73 HB2 ALA 73 7.590 6.015 8.113 597 HB3 ALA 73 HB3 ALA 73 6.415 6.918 7.158 598 H ASP 74 HN ASP 74 6.781 5.119 4.289 599 HA ASP 74 HA ASP 74 4.250 6.285 3.659 600 HB2 ASP 74 HB2 ASP 74 6.767 5.974 2.379 601 HB3 ASP 74 HB1 ASP 74 5.547 5.292 1.312 602 H VAL 75 HN VAL 75 5.733 3.127 2.940 603 HA VAL 75 HA VAL 75 3.528 2.131 1.485 604 HB VAL 75 HB VAL 75 5.613 1.071 1.117 605 HG11 VAL 75 HG11 VAL 75 6.809 1.462 3.120 606 HG12 VAL 75 HG12 VAL 75 6.717 -0.289 2.919 607 HG13 VAL 75 HG13 VAL 75 5.655 0.523 4.068 608 HG21 VAL 75 HG21 VAL 75 5.134 -1.333 1.760 609 HG22 VAL 75 HG22 VAL 75 3.902 -0.498 0.808 610 HG23 VAL 75 HG23 VAL 75 3.677 -0.719 2.543 611 H ARG 76 HN ARG 76 4.393 1.859 4.919 612 HA ARG 76 HA ARG 76 2.291 0.038 5.518 613 HB2 ARG 76 HB2 ARG 76 2.904 0.252 7.763 614 HB3 ARG 76 HB1 ARG 76 4.403 0.496 6.890 615 HG2 ARG 76 HG2 ARG 76 4.044 2.956 7.098 616 HG3 ARG 76 HG1 ARG 76 2.675 2.607 8.155 617 HD2 ARG 76 HD2 ARG 76 4.097 1.557 9.760 618 HD3 ARG 76 HD1 ARG 76 5.473 1.617 8.660 619 HE ARG 76 HE ARG 76 4.332 4.185 9.324 620 HH11 ARG 76 HH11 ARG 76 6.672 1.745 10.223 621 HH12 ARG 76 HH12 ARG 76 7.721 2.861 11.038 622 HH21 ARG 76 HH21 ARG 76 5.717 5.667 10.375 623 HH22 ARG 76 HH22 ARG 76 7.183 5.101 11.109 624 H LEU 77 HN LEU 77 2.536 3.521 5.339 625 HA LEU 77 HA LEU 77 0.083 4.160 6.585 626 HB2 LEU 77 HB2 LEU 77 2.163 5.530 5.268 627 HB3 LEU 77 HB1 LEU 77 0.693 5.932 4.403 628 HG LEU 77 HG LEU 77 1.217 6.361 7.340 629 HD11 LEU 77 HD11 LEU 77 0.974 8.189 4.989 630 HD12 LEU 77 HD12 LEU 77 2.354 7.984 6.064 631 HD13 LEU 77 HD13 LEU 77 0.875 8.744 6.657 632 HD21 LEU 77 HD21 LEU 77 -1.263 6.634 5.685 633 HD22 LEU 77 HD22 LEU 77 -1.014 7.606 7.134 634 HD23 LEU 77 HD23 LEU 77 -1.059 5.848 7.250 635 H MET 78 HN MET 78 0.941 3.077 3.371 636 HA MET 78 HA MET 78 -1.570 3.506 2.161 637 HB2 MET 78 HB2 MET 78 0.292 3.089 0.743 638 HB3 MET 78 HB1 MET 78 0.672 1.582 1.566 639 HG2 MET 78 HG2 MET 78 -1.993 1.764 0.298 640 HG3 MET 78 HG1 MET 78 -0.590 1.694 -0.780 641 HE1 MET 78 HE1 MET 78 1.519 -0.070 0.576 642 HE2 MET 78 HE2 MET 78 0.966 -0.355 -1.072 643 HE3 MET 78 HE3 MET 78 1.053 -1.694 0.068 644 H PHE 79 HN PHE 79 -0.202 0.593 3.730 645 HA PHE 79 HA PHE 79 -2.545 -0.938 3.606 646 HB2 PHE 79 HB2 PHE 79 -0.380 -1.034 5.709 647 HB3 PHE 79 HB1 PHE 79 -1.614 -2.265 5.455 648 HD1 PHE 79 HD1 PHE 79 -1.735 -2.840 2.730 649 HD2 PHE 79 HD2 PHE 79 1.678 -1.710 5.000 650 HE1 PHE 79 HE1 PHE 79 -0.281 -3.963 1.094 651 HE2 PHE 79 HE2 PHE 79 3.136 -2.823 3.372 652 HZ PHE 79 HZ PHE 79 2.168 -3.946 1.407 653 H SER 80 HN SER 80 -1.502 1.502 5.897 654 HA SER 80 HA SER 80 -3.417 1.010 7.894 655 HB2 SER 80 HB2 SER 80 -1.968 3.577 7.213 656 HB3 SER 80 HB1 SER 80 -2.852 3.273 8.708 657 HG SER 80 HG SER 80 -0.720 1.617 7.826 658 H ASN 81 HN ASN 81 -3.463 3.300 5.130 659 HA ASN 81 HA ASN 81 -5.927 4.433 5.919 660 HB2 ASN 81 HB2 ASN 81 -6.019 5.583 3.822 661 HB3 ASN 81 HB1 ASN 81 -4.352 5.586 4.372 662 HD21 ASN 81 HD21 ASN 81 -2.817 4.762 3.091 663 HD22 ASN 81 HD22 ASN 81 -3.119 4.014 1.559 664 H CYS 82 HN CYS 82 -5.126 1.659 3.942 665 HA CYS 82 HA CYS 82 -7.681 1.115 2.896 666 HB2 CYS 82 HB2 CYS 82 -5.984 -0.316 2.061 667 HB3 CYS 82 HB1 CYS 82 -5.432 -0.764 3.677 668 HG CYS 82 HG CYS 82 -8.539 -1.645 2.615 669 H TYR 83 HN TYR 83 -6.299 0.068 6.041 670 HA TYR 83 HA TYR 83 -8.650 -1.321 6.816 671 HB2 TYR 83 HB2 TYR 83 -6.501 -0.104 8.576 672 HB3 TYR 83 HB1 TYR 83 -7.771 -1.193 9.131 673 HD1 TYR 83 HD1 TYR 83 -7.724 -3.169 6.857 674 HD2 TYR 83 HD2 TYR 83 -4.534 -1.356 9.044 675 HE1 TYR 83 HE1 TYR 83 -6.293 -5.112 6.391 676 HE2 TYR 83 HE2 TYR 83 -3.121 -3.302 8.589 677 HH TYR 83 HH TYR 83 -3.882 -5.636 6.266 678 H LYS 84 HN LYS 84 -7.781 2.053 6.906 679 HA LYS 84 HA LYS 84 -9.679 2.988 8.769 680 HB2 LYS 84 HB2 LYS 84 -8.464 4.247 6.319 681 HB3 LYS 84 HB1 LYS 84 -9.677 5.070 7.270 682 HG2 LYS 84 HG2 LYS 84 -7.419 4.058 8.821 683 HG3 LYS 84 HG1 LYS 84 -7.012 5.295 7.631 684 HD2 LYS 84 HD2 LYS 84 -8.888 5.470 9.964 685 HD3 LYS 84 HD1 LYS 84 -7.535 6.521 9.548 686 HE2 LYS 84 HE2 LYS 84 -8.967 7.053 7.412 687 HE3 LYS 84 HE1 LYS 84 -10.292 6.425 8.391 688 HZ1 LYS 84 HZ1 LYS 84 -9.843 8.058 10.073 689 HZ2 LYS 84 HZ2 LYS 84 -10.069 8.831 8.586 690 HZ3 LYS 84 HZ3 LYS 84 -8.511 8.645 9.213 691 H TYR 85 HN TYR 85 -9.853 2.591 5.251 692 HA TYR 85 HA TYR 85 -12.508 3.669 5.185 693 HB2 TYR 85 HB2 TYR 85 -10.855 4.070 3.392 694 HB3 TYR 85 HB1 TYR 85 -10.932 2.364 2.950 695 HD1 TYR 85 HD1 TYR 85 -12.787 5.495 3.184 696 HD2 TYR 85 HD2 TYR 85 -12.845 1.556 1.619 697 HE1 TYR 85 HE1 TYR 85 -14.761 6.075 1.830 698 HE2 TYR 85 HE2 TYR 85 -14.805 2.102 0.260 699 HH TYR 85 HH TYR 85 -16.697 3.787 0.373 700 H ASN 86 HN ASN 86 -11.011 0.500 4.800 701 HA ASN 86 HA ASN 86 -13.556 -0.659 3.994 702 HB2 ASN 86 HB2 ASN 86 -10.923 -2.102 4.263 703 HB3 ASN 86 HB1 ASN 86 -12.316 -2.537 3.270 704 HD21 ASN 86 HD21 ASN 86 -12.793 0.035 2.192 705 HD22 ASN 86 HD22 ASN 86 -11.490 0.416 1.122 706 HA PRO 87 HA PRO 87 -14.279 -2.180 8.150 707 HB2 PRO 87 HB2 PRO 87 -16.336 -3.848 7.434 708 HB3 PRO 87 HB1 PRO 87 -16.532 -2.120 7.739 709 HG2 PRO 87 HG2 PRO 87 -16.294 -3.575 5.142 710 HG3 PRO 87 HG1 PRO 87 -17.333 -2.203 5.574 711 HD2 PRO 87 HD2 PRO 87 -15.060 -1.910 4.143 712 HD3 PRO 87 HD1 PRO 87 -15.648 -0.665 5.263 713 HA PRO 88 HA PRO 88 -11.851 -5.689 8.635 714 HB2 PRO 88 HB2 PRO 88 -13.521 -7.366 10.130 715 HB3 PRO 88 HB1 PRO 88 -12.448 -6.119 10.765 716 HG2 PRO 88 HG2 PRO 88 -15.372 -5.995 10.202 717 HG3 PRO 88 HG1 PRO 88 -14.452 -5.269 11.533 718 HD2 PRO 88 HD2 PRO 88 -15.296 -3.778 9.500 719 HD3 PRO 88 HD1 PRO 88 -13.685 -3.514 10.201 720 H ASP 89 HN ASP 89 -15.002 -6.277 7.308 721 HA ASP 89 HA ASP 89 -14.046 -8.840 6.219 722 HB2 ASP 89 HB2 ASP 89 -16.918 -7.911 6.593 723 HB3 ASP 89 HB1 ASP 89 -16.420 -9.426 5.857 724 H HIS 90 HN HIS 90 -12.912 -7.725 4.538 725 HA HIS 90 HA HIS 90 -14.550 -7.544 2.193 726 HB2 HIS 90 HB2 HIS 90 -14.265 -5.136 3.433 727 HB3 HIS 90 HB1 HIS 90 -12.823 -5.139 2.429 728 HD1 HIS 90 HD1 HIS 90 -13.169 -5.170 -0.190 729 HD2 HIS 90 HD2 HIS 90 -16.708 -4.773 1.988 730 HE1 HIS 90 HE1 HIS 90 -14.920 -4.460 -1.831 731 HE2 HIS 90 HE2 HIS 90 -17.074 -4.503 -0.543 732 H ASP 91 HN ASP 91 -13.216 -7.457 0.225 733 HA ASP 91 HA ASP 91 -11.028 -9.139 0.251 734 HB2 ASP 91 HB2 ASP 91 -10.458 -7.928 -2.010 735 HB3 ASP 91 HB1 ASP 91 -11.952 -8.821 -1.918 736 H VAL 92 HN VAL 92 -10.937 -5.593 0.188 737 HA VAL 92 HA VAL 92 -8.171 -5.506 -0.235 738 HB VAL 92 HB VAL 92 -8.640 -3.008 0.619 739 HG11 VAL 92 HG11 VAL 92 -7.876 -3.994 -1.584 740 HG12 VAL 92 HG12 VAL 92 -8.717 -2.450 -1.639 741 HG13 VAL 92 HG13 VAL 92 -9.566 -3.939 -2.064 742 HG21 VAL 92 HG21 VAL 92 -11.068 -3.936 1.010 743 HG22 VAL 92 HG22 VAL 92 -11.213 -3.662 -0.719 744 HG23 VAL 92 HG23 VAL 92 -10.816 -2.324 0.360 745 H VAL 93 HN VAL 93 -9.941 -5.820 2.709 746 HA VAL 93 HA VAL 93 -7.702 -4.928 4.294 747 HB VAL 93 HB VAL 93 -8.922 -5.656 6.249 748 HG11 VAL 93 HG11 VAL 93 -10.807 -4.376 4.279 749 HG12 VAL 93 HG12 VAL 93 -9.566 -3.531 5.212 750 HG13 VAL 93 HG13 VAL 93 -10.922 -4.298 6.041 751 HG21 VAL 93 HG21 VAL 93 -10.966 -6.847 4.390 752 HG22 VAL 93 HG22 VAL 93 -11.052 -6.795 6.152 753 HG23 VAL 93 HG23 VAL 93 -9.811 -7.765 5.357 754 H ALA 94 HN ALA 94 -9.015 -7.924 3.065 755 HA ALA 94 HA ALA 94 -7.271 -9.666 4.482 756 HB1 ALA 94 HB1 ALA 94 -8.743 -10.114 1.885 757 HB2 ALA 94 HB2 ALA 94 -9.362 -10.456 3.500 758 HB3 ALA 94 HB3 ALA 94 -7.986 -11.364 2.871 759 H MET 95 HN MET 95 -7.170 -8.158 1.275 760 HA MET 95 HA MET 95 -4.705 -9.348 0.508 761 HB2 MET 95 HB2 MET 95 -6.084 -6.850 -0.499 762 HB3 MET 95 HB1 MET 95 -4.631 -7.537 -1.221 763 HG2 MET 95 HG2 MET 95 -5.917 -9.642 -1.627 764 HG3 MET 95 HG1 MET 95 -7.364 -8.811 -1.062 765 HE1 MET 95 HE1 MET 95 -8.066 -6.469 -2.038 766 HE2 MET 95 HE2 MET 95 -8.997 -7.624 -2.989 767 HE3 MET 95 HE3 MET 95 -8.184 -6.286 -3.788 768 H ALA 96 HN ALA 96 -5.553 -6.382 2.241 769 HA ALA 96 HA ALA 96 -2.951 -5.252 2.225 770 HB1 ALA 96 HB1 ALA 96 -4.729 -3.776 2.725 771 HB2 ALA 96 HB2 ALA 96 -3.807 -3.949 4.221 772 HB3 ALA 96 HB3 ALA 96 -5.327 -4.822 4.016 773 H ARG 97 HN ARG 97 -4.561 -7.597 4.294 774 HA ARG 97 HA ARG 97 -2.575 -7.599 6.340 775 HB2 ARG 97 HB2 ARG 97 -4.636 -9.671 5.580 776 HB3 ARG 97 HB1 ARG 97 -3.581 -9.810 6.978 777 HG2 ARG 97 HG2 ARG 97 -4.538 -7.726 7.871 778 HG3 ARG 97 HG1 ARG 97 -5.641 -7.672 6.495 779 HD2 ARG 97 HD2 ARG 97 -5.498 -9.782 8.642 780 HD3 ARG 97 HD1 ARG 97 -6.794 -8.620 8.377 781 HE ARG 97 HE ARG 97 -6.146 -10.665 6.358 782 HH11 ARG 97 HH11 ARG 97 -8.464 -9.063 8.442 783 HH12 ARG 97 HH12 ARG 97 -9.809 -9.988 7.858 784 HH21 ARG 97 HH21 ARG 97 -7.909 -11.875 5.595 785 HH22 ARG 97 HH22 ARG 97 -9.494 -11.596 6.246 786 H LYS 98 HN LYS 98 -3.171 -9.666 3.524 787 HA LYS 98 HA LYS 98 -1.069 -11.475 4.072 788 HB2 LYS 98 HB2 LYS 98 -3.050 -11.901 2.610 789 HB3 LYS 98 HB1 LYS 98 -2.328 -10.854 1.400 790 HG2 LYS 98 HG2 LYS 98 -0.389 -12.375 1.285 791 HG3 LYS 98 HG1 LYS 98 -1.185 -13.430 2.450 792 HD2 LYS 98 HD2 LYS 98 -3.070 -13.698 0.884 793 HD3 LYS 98 HD1 LYS 98 -2.211 -12.694 -0.287 794 HE2 LYS 98 HE2 LYS 98 -1.948 -15.100 -0.727 795 HE3 LYS 98 HE1 LYS 98 -0.421 -14.280 -0.408 796 HZ1 LYS 98 HZ1 LYS 98 -0.416 -15.147 1.815 797 HZ2 LYS 98 HZ2 LYS 98 -0.626 -16.434 0.738 798 HZ3 LYS 98 HZ3 LYS 98 -1.947 -15.836 1.607 799 H LEU 99 HN LEU 99 -1.277 -8.681 1.888 800 HA LEU 99 HA LEU 99 1.408 -8.769 1.035 801 HB2 LEU 99 HB2 LEU 99 -0.758 -6.762 0.962 802 HB3 LEU 99 HB1 LEU 99 0.869 -6.158 0.835 803 HG LEU 99 HG LEU 99 -0.769 -7.452 -1.172 804 HD11 LEU 99 HD11 LEU 99 1.862 -6.082 -1.431 805 HD12 LEU 99 HD12 LEU 99 0.355 -5.206 -1.189 806 HD13 LEU 99 HD13 LEU 99 0.581 -6.200 -2.629 807 HD21 LEU 99 HD21 LEU 99 2.112 -8.304 -1.093 808 HD22 LEU 99 HD22 LEU 99 0.860 -8.799 -2.233 809 HD23 LEU 99 HD23 LEU 99 0.793 -9.354 -0.562 810 H GLN 100 HN GLN 100 -0.076 -7.556 3.941 811 HA GLN 100 HA GLN 100 2.086 -5.974 4.841 812 HB2 GLN 100 HB2 GLN 100 -0.168 -5.986 5.918 813 HB3 GLN 100 HB1 GLN 100 0.159 -7.604 6.525 814 HG2 GLN 100 HG2 GLN 100 0.621 -6.210 8.330 815 HG3 GLN 100 HG1 GLN 100 2.203 -6.577 7.653 816 HE21 GLN 100 HE21 GLN 100 -0.246 -4.146 8.040 817 HE22 GLN 100 HE22 GLN 100 0.738 -2.794 7.612 818 H ASP 101 HN ASP 101 1.282 -9.393 5.165 819 HA ASP 101 HA ASP 101 3.342 -10.181 6.854 820 HB2 ASP 101 HB2 ASP 101 1.846 -11.666 4.704 821 HB3 ASP 101 HB1 ASP 101 3.069 -12.447 5.700 822 H VAL 102 HN VAL 102 3.314 -10.183 3.273 823 HA VAL 102 HA VAL 102 5.971 -11.099 3.030 824 HB VAL 102 HB VAL 102 4.718 -11.320 1.075 825 HG11 VAL 102 HG11 VAL 102 3.748 -9.356 -0.115 826 HG12 VAL 102 HG12 VAL 102 4.008 -8.436 1.364 827 HG13 VAL 102 HG13 VAL 102 2.943 -9.843 1.372 828 HG21 VAL 102 HG21 VAL 102 6.065 -8.954 0.013 829 HG22 VAL 102 HG22 VAL 102 6.220 -10.654 -0.448 830 HG23 VAL 102 HG23 VAL 102 7.106 -10.033 0.946 831 H PHE 103 HN PHE 103 4.727 -7.762 2.758 832 HA PHE 103 HA PHE 103 7.189 -6.467 2.484 833 HB2 PHE 103 HB2 PHE 103 5.431 -5.049 2.079 834 HB3 PHE 103 HB1 PHE 103 4.487 -5.629 3.447 835 HD1 PHE 103 HD1 PHE 103 7.724 -3.870 2.826 836 HD2 PHE 103 HD2 PHE 103 4.191 -4.121 5.211 837 HE1 PHE 103 HE1 PHE 103 8.459 -1.922 4.134 838 HE2 PHE 103 HE2 PHE 103 4.933 -2.179 6.507 839 HZ PHE 103 HZ PHE 103 7.065 -1.077 5.975 840 H GLU 104 HN GLU 104 5.567 -7.584 5.419 841 HA GLU 104 HA GLU 104 7.350 -6.187 7.162 842 HB2 GLU 104 HB2 GLU 104 5.317 -6.459 8.167 843 HB3 GLU 104 HB1 GLU 104 5.029 -8.018 7.411 844 HG2 GLU 104 HG2 GLU 104 6.536 -9.067 8.946 845 HG3 GLU 104 HG1 GLU 104 6.905 -7.516 9.702 846 H PHE 105 HN PHE 105 7.054 -9.493 5.935 847 HA PHE 105 HA PHE 105 9.205 -10.544 7.475 848 HB2 PHE 105 HB2 PHE 105 7.505 -11.989 6.436 849 HB3 PHE 105 HB1 PHE 105 8.067 -11.507 4.840 850 HD1 PHE 105 HD1 PHE 105 9.171 -13.171 7.967 851 HD2 PHE 105 HD2 PHE 105 9.764 -12.696 3.780 852 HE1 PHE 105 HE1 PHE 105 10.791 -15.020 7.991 853 HE2 PHE 105 HE2 PHE 105 11.385 -14.545 3.798 854 HZ PHE 105 HZ PHE 105 11.900 -15.710 5.904 855 H ARG 106 HN ARG 106 8.948 -9.029 4.314 856 HA ARG 106 HA ARG 106 11.614 -9.428 3.480 857 HB2 ARG 106 HB2 ARG 106 9.526 -7.366 2.778 858 HB3 ARG 106 HB1 ARG 106 11.097 -7.410 1.999 859 HG2 ARG 106 HG2 ARG 106 9.160 -9.710 2.008 860 HG3 ARG 106 HG1 ARG 106 9.257 -8.499 0.726 861 HD2 ARG 106 HD2 ARG 106 11.454 -9.166 0.148 862 HD3 ARG 106 HD1 ARG 106 11.615 -10.156 1.598 863 HE ARG 106 HE ARG 106 9.633 -11.425 0.481 864 HH11 ARG 106 HH11 ARG 106 12.408 -10.031 -1.153 865 HH12 ARG 106 HH12 ARG 106 12.391 -11.200 -2.433 866 HH21 ARG 106 HH21 ARG 106 9.613 -12.951 -1.202 867 HH22 ARG 106 HH22 ARG 106 10.802 -12.860 -2.461 868 H TYR 107 HN TYR 107 10.001 -6.764 5.169 869 HA TYR 107 HA TYR 107 12.341 -5.173 5.444 870 HB2 TYR 107 HB2 TYR 107 10.012 -4.288 5.618 871 HB3 TYR 107 HB1 TYR 107 9.845 -5.100 7.175 872 HD1 TYR 107 HD1 TYR 107 11.211 -2.203 5.431 873 HD2 TYR 107 HD2 TYR 107 11.148 -4.325 9.122 874 HE1 TYR 107 HE1 TYR 107 12.134 -0.233 6.572 875 HE2 TYR 107 HE2 TYR 107 12.063 -2.357 10.271 876 HH TYR 107 HH TYR 107 12.098 0.686 8.963 877 H ALA 108 HN ALA 108 11.003 -7.821 7.260 878 HA ALA 108 HA ALA 108 12.495 -7.513 9.635 879 HB1 ALA 108 HB1 ALA 108 10.533 -8.989 9.426 880 HB2 ALA 108 HB2 ALA 108 11.939 -9.818 10.094 881 HB3 ALA 108 HB3 ALA 108 11.482 -10.074 8.410 882 H LYS 109 HN LYS 109 13.206 -9.070 6.552 883 HA LYS 109 HA LYS 109 15.731 -10.130 7.475 884 HB2 LYS 109 HB2 LYS 109 14.582 -9.883 4.687 885 HB3 LYS 109 HB1 LYS 109 16.121 -10.644 5.053 886 HG2 LYS 109 HG2 LYS 109 14.867 -12.241 6.532 887 HG3 LYS 109 HG1 LYS 109 13.376 -11.553 5.877 888 HD2 LYS 109 HD2 LYS 109 15.567 -12.889 4.286 889 HD3 LYS 109 HD1 LYS 109 14.011 -13.595 4.696 890 HE2 LYS 109 HE2 LYS 109 12.868 -11.905 3.380 891 HE3 LYS 109 HE1 LYS 109 14.408 -11.137 3.008 892 HZ1 LYS 109 HZ1 LYS 109 13.710 -12.522 1.178 893 HZ2 LYS 109 HZ2 LYS 109 13.580 -13.870 2.191 894 HZ3 LYS 109 HZ3 LYS 109 15.094 -13.184 1.887 895 H MET 110 HN MET 110 14.547 -7.215 6.192 896 HA MET 110 HA MET 110 16.953 -6.156 5.131 897 HB2 MET 110 HB2 MET 110 14.913 -5.166 4.414 898 HB3 MET 110 HB1 MET 110 14.373 -4.899 6.063 899 HG2 MET 110 HG2 MET 110 16.857 -3.536 5.211 900 HG3 MET 110 HG1 MET 110 15.334 -2.954 4.543 901 HE1 MET 110 HE1 MET 110 15.862 -0.683 5.521 902 HE2 MET 110 HE2 MET 110 17.303 -1.133 6.437 903 HE3 MET 110 HE3 MET 110 15.979 -0.285 7.236 904 HA PRO 111 HA PRO 111 18.722 -5.191 9.145 905 HB2 PRO 111 HB2 PRO 111 21.206 -4.643 8.301 906 HB3 PRO 111 HB1 PRO 111 20.593 -6.297 8.372 907 HG2 PRO 111 HG2 PRO 111 20.979 -4.518 6.023 908 HG3 PRO 111 HG1 PRO 111 21.146 -6.275 6.144 909 HD2 PRO 111 HD2 PRO 111 18.942 -4.881 5.115 910 HD3 PRO 111 HD1 PRO 111 18.980 -6.608 5.562 911 H ASP 112 HN ASP 112 19.543 -3.324 10.204 912 HA ASP 112 HA ASP 112 18.679 -0.850 8.909 913 HB2 ASP 112 HB2 ASP 112 19.296 -1.512 11.795 914 HB3 ASP 112 HB1 ASP 112 18.894 0.106 11.234 915 H1 HIS 281 HT1 HIS 281 -21.036 11.638 7.065 916 H2 HIS 281 HT2 HIS 281 -20.988 10.349 5.971 917 H3 HIS 281 HT3 HIS 281 -19.812 11.557 5.899 918 HA HIS 281 HA HIS 281 -18.924 9.572 6.901 919 HB2 HIS 281 HB2 HIS 281 -19.280 11.981 8.673 920 HB3 HIS 281 HB1 HIS 281 -18.301 10.608 9.173 921 HD1 HIS 281 HD1 HIS 281 -16.051 10.242 7.934 922 HD2 HIS 281 HD2 HIS 281 -18.141 13.626 6.729 923 HE1 HIS 281 HE1 HIS 281 -14.406 11.626 6.632 924 HE2 HIS 281 HE2 HIS 281 -15.643 13.751 6.082 925 H ASN 282 HN ASN 282 -22.085 9.770 7.378 926 HA ASN 282 HA ASN 282 -22.267 8.542 9.988 927 HB2 ASN 282 HB2 ASN 282 -24.086 9.993 9.215 928 HB3 ASN 282 HB1 ASN 282 -24.379 8.920 7.851 929 HD21 ASN 282 HD21 ASN 282 -26.494 8.526 8.473 930 HD22 ASN 282 HD22 ASN 282 -26.887 7.543 9.838 931 H LEU 283 HN LEU 283 -23.612 7.377 6.899 932 HA LEU 283 HA LEU 283 -22.643 4.696 7.606 933 HB2 LEU 283 HB2 LEU 283 -25.061 4.918 7.155 934 HB3 LEU 283 HB1 LEU 283 -24.697 5.524 5.552 935 HG LEU 283 HG LEU 283 -23.632 3.344 5.010 936 HD11 LEU 283 HD11 LEU 283 -23.041 2.629 7.249 937 HD12 LEU 283 HD12 LEU 283 -24.079 1.430 6.479 938 HD13 LEU 283 HD13 LEU 283 -24.744 2.526 7.688 939 HD21 LEU 283 HD21 LEU 283 -25.723 2.105 4.785 940 HD22 LEU 283 HD22 LEU 283 -25.939 3.806 4.372 941 HD23 LEU 283 HD23 LEU 283 -26.500 3.199 5.930 942 H LEU 284 HN LEU 284 -20.847 4.042 6.639 943 HA LEU 284 HA LEU 284 -19.752 5.646 4.509 944 HB2 LEU 284 HB2 LEU 284 -18.712 3.558 6.329 945 HB3 LEU 284 HB1 LEU 284 -17.901 3.760 4.788 946 HG LEU 284 HG LEU 284 -16.790 5.046 6.512 947 HD11 LEU 284 HD11 LEU 284 -16.797 5.907 4.227 948 HD12 LEU 284 HD12 LEU 284 -16.740 7.205 5.419 949 HD13 LEU 284 HD13 LEU 284 -18.250 6.840 4.588 950 HD21 LEU 284 HD21 LEU 284 -17.900 6.973 7.563 951 HD22 LEU 284 HD22 LEU 284 -18.623 5.435 8.036 952 HD23 LEU 284 HD23 LEU 284 -19.427 6.459 6.847 953 H ARG 285 HN ARG 285 -19.504 5.140 2.462 954 HA ARG 285 HA ARG 285 -20.884 2.941 1.280 955 HB2 ARG 285 HB2 ARG 285 -18.830 4.843 0.139 956 HB3 ARG 285 HB1 ARG 285 -19.820 3.747 -0.809 957 HG2 ARG 285 HG2 ARG 285 -21.735 5.000 -0.489 958 HG3 ARG 285 HG1 ARG 285 -21.104 5.781 0.961 959 HD2 ARG 285 HD2 ARG 285 -19.495 7.007 -0.370 960 HD3 ARG 285 HD1 ARG 285 -20.076 6.211 -1.836 961 HE ARG 285 HE ARG 285 -22.272 7.340 -1.299 962 HH11 ARG 285 HH11 ARG 285 -19.223 8.659 -0.216 963 HH12 ARG 285 HH12 ARG 285 -19.758 10.311 -0.252 964 HH21 ARG 285 HH21 ARG 285 -22.997 9.500 -1.362 965 HH22 ARG 285 HH22 ARG 285 -21.915 10.785 -0.925 966 H ILE 286 HN ILE 286 -20.099 0.902 0.943 967 HA ILE 286 HA ILE 286 -17.328 0.398 1.622 968 HB ILE 286 HB ILE 286 -17.802 -1.953 1.408 969 HG12 ILE 286 HG12 ILE 286 -20.491 -1.104 0.309 970 HG13 ILE 286 HG11 ILE 286 -19.225 -1.975 -0.548 971 HG21 ILE 286 HG21 ILE 286 -19.591 -2.181 3.087 972 HG22 ILE 286 HG22 ILE 286 -20.025 -0.491 2.827 973 HG23 ILE 286 HG23 ILE 286 -18.443 -0.904 3.488 974 HD11 ILE 286 HD11 ILE 286 -20.814 -3.009 1.777 975 HD12 ILE 286 HD12 ILE 286 -19.520 -3.875 0.953 976 HD13 ILE 286 HD13 ILE 286 -21.003 -3.471 0.087 977 HH31 ALY 287 HH1 ALY 287 -7.233 0.924 -1.100 978 HH32 ALY 287 HH2 ALY 287 -7.280 1.564 0.546 979 HH33 ALY 287 HH3 ALY 287 -7.494 -0.165 0.266 980 HZ ALY 287 HZ1 ALY 287 -9.351 -0.199 -1.810 981 HE3 ALY 287 HE2 ALY 287 -11.515 1.558 -1.627 982 HE2 ALY 287 HE1 ALY 287 -11.805 0.202 -0.540 983 HD3 ALY 287 HD2 ALY 287 -11.609 -1.361 -2.373 984 HD2 ALY 287 HD1 ALY 287 -11.200 -0.048 -3.481 985 HG3 ALY 287 HG2 ALY 287 -13.571 -0.796 -3.623 986 HG2 ALY 287 HG1 ALY 287 -13.373 0.918 -3.255 987 HB3 ALY 287 HB2 ALY 287 -13.726 0.436 -0.881 988 HB2 ALY 287 HB1 ALY 287 -13.945 -1.264 -1.265 989 HCA ALY 287 HA ALY 287 -15.701 0.938 -2.325 990 H ALY 287 HN ALY 287 -15.727 -0.051 0.254 991 H GLN 288 HN GLN 288 -16.509 0.201 -4.195 992 HA GLN 288 HA GLN 288 -17.768 -2.383 -4.291 993 HB2 GLN 288 HB2 GLN 288 -17.487 -0.274 -6.437 994 HB3 GLN 288 HB1 GLN 288 -18.519 -1.694 -6.525 995 HG2 GLN 288 HG2 GLN 288 -19.740 -0.841 -4.527 996 HG3 GLN 288 HG1 GLN 288 -18.784 0.635 -4.641 997 HE21 GLN 288 HE21 GLN 288 -19.916 -1.189 -7.398 998 HE22 GLN 288 HE22 GLN 288 -21.042 -0.007 -7.963 999 H PHE 289 HN PHE 289 -15.418 -3.242 -3.913 1000 HA PHE 289 HA PHE 289 -13.955 -3.561 -6.404 1001 HB2 PHE 289 HB2 PHE 289 -13.350 -3.915 -3.551 1002 HB3 PHE 289 HB1 PHE 289 -12.659 -5.156 -4.592 1003 HD1 PHE 289 HD1 PHE 289 -13.180 -1.894 -6.052 1004 HD2 PHE 289 HD2 PHE 289 -10.421 -4.318 -3.882 1005 HE1 PHE 289 HE1 PHE 289 -11.358 -0.380 -6.688 1006 HE2 PHE 289 HE2 PHE 289 -8.597 -2.789 -4.533 1007 HZ PHE 289 HZ PHE 289 -9.064 -0.823 -5.925 1008 H LEU 290 HN LEU 290 -14.838 -4.909 -7.760 1009 HA LEU 290 HA LEU 290 -15.081 -7.688 -7.067 1010 HB2 LEU 290 HB2 LEU 290 -17.289 -6.631 -6.422 1011 HB3 LEU 290 HB1 LEU 290 -17.509 -6.223 -8.112 1012 HG LEU 290 HG LEU 290 -17.384 -8.673 -8.642 1013 HD11 LEU 290 HD11 LEU 290 -17.545 -8.924 -5.642 1014 HD12 LEU 290 HD12 LEU 290 -16.208 -9.441 -6.669 1015 HD13 LEU 290 HD13 LEU 290 -17.773 -10.242 -6.790 1016 HD21 LEU 290 HD21 LEU 290 -19.510 -7.506 -8.508 1017 HD22 LEU 290 HD22 LEU 290 -19.564 -7.776 -6.767 1018 HD23 LEU 290 HD23 LEU 290 -19.658 -9.144 -7.873 1019 H GLN 291 HN GLN 291 -15.223 -9.006 -8.991 1020 HA GLN 291 HA GLN 291 -14.078 -7.640 -11.280 1021 HB2 GLN 291 HB2 GLN 291 -14.601 -10.591 -10.883 1022 HB3 GLN 291 HB1 GLN 291 -13.631 -9.867 -12.158 1023 HG2 GLN 291 HG2 GLN 291 -12.102 -8.978 -10.422 1024 HG3 GLN 291 HG1 GLN 291 -13.034 -9.852 -9.209 1025 HE21 GLN 291 HE21 GLN 291 -10.246 -10.112 -9.912 1026 HE22 GLN 291 HE22 GLN 291 -10.011 -11.755 -10.397 1027 H SER 292 HN SER 292 -16.138 -6.482 -11.539 1028 HA SER 292 HA SER 292 -17.762 -7.832 -13.537 1029 HB2 SER 292 HB2 SER 292 -18.933 -8.155 -11.344 1030 HB3 SER 292 HB1 SER 292 -19.014 -6.403 -11.173 1031 HG SER 292 HG SER 292 -20.770 -7.897 -12.331 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 26.281 7.983 -2.449 2 H2 GLY 1 HT2 GLY 1 25.452 7.058 -1.305 3 H3 GLY 1 HT3 GLY 1 25.823 8.672 -0.975 4 HA2 GLY 1 HA1 GLY 1 23.502 8.459 -1.542 5 HA3 GLY 1 HA2 GLY 1 24.363 9.408 -2.744 6 H LYS 2 HN LYS 2 22.505 8.827 -4.103 7 HA LYS 2 HA LYS 2 21.534 7.678 -5.802 8 HB2 LYS 2 HB2 LYS 2 24.175 6.206 -5.834 9 HB3 LYS 2 HB1 LYS 2 22.950 6.098 -7.087 10 HG2 LYS 2 HG2 LYS 2 24.430 8.594 -6.293 11 HG3 LYS 2 HG1 LYS 2 24.763 7.603 -7.713 12 HD2 LYS 2 HD2 LYS 2 22.546 8.088 -8.592 13 HD3 LYS 2 HD1 LYS 2 22.165 9.033 -7.153 14 HE2 LYS 2 HE2 LYS 2 22.771 10.500 -8.985 15 HE3 LYS 2 HE1 LYS 2 23.976 10.589 -7.703 16 HZ1 LYS 2 HZ1 LYS 2 25.398 9.118 -8.982 17 HZ2 LYS 2 HZ2 LYS 2 24.998 10.489 -9.887 18 HZ3 LYS 2 HZ3 LYS 2 24.235 9.015 -10.205 19 H LEU 3 HN LEU 3 20.451 6.953 -3.625 20 HA LEU 3 HA LEU 3 19.331 5.392 -2.450 21 HB2 LEU 3 HB2 LEU 3 19.962 3.651 -4.830 22 HB3 LEU 3 HB1 LEU 3 18.912 3.190 -3.503 23 HG LEU 3 HG LEU 3 18.393 5.539 -5.317 24 HD11 LEU 3 HD11 LEU 3 17.211 2.762 -5.339 25 HD12 LEU 3 HD12 LEU 3 18.281 3.448 -6.563 26 HD13 LEU 3 HD13 LEU 3 16.667 4.120 -6.324 27 HD21 LEU 3 HD21 LEU 3 17.396 5.722 -3.082 28 HD22 LEU 3 HD22 LEU 3 16.645 4.141 -3.294 29 HD23 LEU 3 HD23 LEU 3 16.168 5.489 -4.326 30 H SER 4 HN SER 4 20.590 5.208 -0.715 31 HA SER 4 HA SER 4 22.944 3.593 -0.638 32 HB2 SER 4 HB2 SER 4 22.784 5.506 0.863 33 HB3 SER 4 HB1 SER 4 21.316 4.852 1.591 34 HG SER 4 HG SER 4 22.703 4.061 2.971 35 H GLU 5 HN GLU 5 22.862 1.990 1.503 36 HA GLU 5 HA GLU 5 21.854 -0.336 0.404 37 HB2 GLU 5 HB2 GLU 5 22.439 0.203 3.315 38 HB3 GLU 5 HB1 GLU 5 22.302 -1.387 2.574 39 HG2 GLU 5 HG2 GLU 5 24.213 -0.858 1.128 40 HG3 GLU 5 HG1 GLU 5 24.367 0.703 1.932 41 H GLN 6 HN GLN 6 20.375 1.660 2.944 42 HA GLN 6 HA GLN 6 18.188 -0.082 3.424 43 HB2 GLN 6 HB2 GLN 6 18.570 2.869 3.943 44 HB3 GLN 6 HB1 GLN 6 17.103 2.015 4.384 45 HG2 GLN 6 HG2 GLN 6 18.737 2.353 6.237 46 HG3 GLN 6 HG1 GLN 6 18.236 0.685 5.975 47 HE21 GLN 6 HE21 GLN 6 19.743 -0.809 5.283 48 HE22 GLN 6 HE22 GLN 6 21.438 -0.483 5.260 49 H LEU 7 HN LEU 7 18.601 2.724 1.288 50 HA LEU 7 HA LEU 7 15.860 2.683 0.446 51 HB2 LEU 7 HB2 LEU 7 18.252 4.175 -0.624 52 HB3 LEU 7 HB1 LEU 7 16.615 4.399 -1.213 53 HG LEU 7 HG LEU 7 17.472 4.884 1.632 54 HD11 LEU 7 HD11 LEU 7 18.549 6.438 0.068 55 HD12 LEU 7 HD12 LEU 7 17.366 7.247 1.093 56 HD13 LEU 7 HD13 LEU 7 16.967 6.865 -0.583 57 HD21 LEU 7 HD21 LEU 7 15.178 4.447 1.678 58 HD22 LEU 7 HD22 LEU 7 14.904 5.257 0.136 59 HD23 LEU 7 HD23 LEU 7 15.279 6.205 1.574 60 H LYS 8 HN LYS 8 18.859 1.323 -0.729 61 HA LYS 8 HA LYS 8 17.802 0.534 -3.255 62 HB2 LYS 8 HB2 LYS 8 20.224 0.715 -2.812 63 HB3 LYS 8 HB1 LYS 8 20.098 -0.615 -1.677 64 HG2 LYS 8 HG2 LYS 8 21.013 -1.300 -3.854 65 HG3 LYS 8 HG1 LYS 8 19.519 -2.141 -3.447 66 HD2 LYS 8 HD2 LYS 8 19.580 -1.440 -5.803 67 HD3 LYS 8 HD1 LYS 8 18.255 -0.683 -4.915 68 HE2 LYS 8 HE2 LYS 8 19.368 0.918 -6.387 69 HE3 LYS 8 HE1 LYS 8 19.568 1.365 -4.695 70 HZ1 LYS 8 HZ1 LYS 8 21.605 -0.038 -6.340 71 HZ2 LYS 8 HZ2 LYS 8 21.799 0.478 -4.742 72 HZ3 LYS 8 HZ3 LYS 8 21.615 1.614 -5.981 73 H HIS 9 HN HIS 9 17.931 -0.844 -0.051 74 HA HIS 9 HA HIS 9 16.844 -3.369 -0.786 75 HB2 HIS 9 HB2 HIS 9 18.070 -2.597 1.430 76 HB3 HIS 9 HB1 HIS 9 16.429 -2.235 1.951 77 HD1 HIS 9 HD1 HIS 9 18.749 -4.782 2.350 78 HD2 HIS 9 HD2 HIS 9 14.762 -4.776 1.182 79 HE1 HIS 9 HE1 HIS 9 17.918 -7.117 2.765 80 HE2 HIS 9 HE2 HIS 9 15.568 -7.135 1.863 81 H CYS 10 HN CYS 10 15.469 -0.271 0.265 82 HA CYS 10 HA CYS 10 12.810 -1.237 0.471 83 HB2 CYS 10 HB2 CYS 10 12.100 1.022 0.680 84 HB3 CYS 10 HB1 CYS 10 13.673 0.935 1.477 85 HG CYS 10 HG CYS 10 14.463 1.809 -1.466 86 H ASN 11 HN ASN 11 14.772 -0.109 -2.166 87 HA ASN 11 HA ASN 11 12.706 0.217 -4.069 88 HB2 ASN 11 HB2 ASN 11 15.036 1.071 -4.349 89 HB3 ASN 11 HB1 ASN 11 15.585 -0.590 -4.556 90 HD21 ASN 11 HD21 ASN 11 13.840 2.051 -5.958 91 HD22 ASN 11 HD22 ASN 11 13.757 1.412 -7.565 92 H GLY 12 HN GLY 12 14.671 -2.518 -3.050 93 HA2 GLY 12 HA2 GLY 12 13.714 -4.327 -5.041 94 HA3 GLY 12 HA1 GLY 12 14.583 -4.759 -3.573 95 H ILE 13 HN ILE 13 12.840 -3.746 -1.653 96 HA ILE 13 HA ILE 13 10.955 -5.796 -1.370 97 HB ILE 13 HB ILE 13 11.075 -3.083 -0.073 98 HG12 ILE 13 HG12 ILE 13 11.778 -5.781 1.064 99 HG13 ILE 13 HG11 ILE 13 12.964 -4.714 0.328 100 HG21 ILE 13 HG21 ILE 13 9.166 -5.292 0.276 101 HG22 ILE 13 HG22 ILE 13 8.892 -3.559 0.332 102 HG23 ILE 13 HG23 ILE 13 9.652 -4.379 1.697 103 HD11 ILE 13 HD11 ILE 13 11.480 -4.432 2.900 104 HD12 ILE 13 HD12 ILE 13 12.110 -3.004 2.081 105 HD13 ILE 13 HD13 ILE 13 13.208 -4.290 2.580 106 H LEU 14 HN LEU 14 10.469 -2.396 -2.262 107 HA LEU 14 HA LEU 14 7.767 -2.416 -2.818 108 HB2 LEU 14 HB2 LEU 14 9.732 -0.576 -2.945 109 HB3 LEU 14 HB1 LEU 14 9.536 -0.908 -4.653 110 HG LEU 14 HG LEU 14 7.247 -0.136 -2.878 111 HD11 LEU 14 HD11 LEU 14 9.216 1.536 -4.393 112 HD12 LEU 14 HD12 LEU 14 8.711 1.684 -2.708 113 HD13 LEU 14 HD13 LEU 14 7.598 2.122 -4.005 114 HD21 LEU 14 HD21 LEU 14 6.778 -1.248 -5.089 115 HD22 LEU 14 HD22 LEU 14 7.591 0.120 -5.861 116 HD23 LEU 14 HD23 LEU 14 6.124 0.385 -4.922 117 H LYS 15 HN LYS 15 10.482 -3.136 -4.973 118 HA LYS 15 HA LYS 15 9.117 -3.574 -7.334 119 HB2 LYS 15 HB2 LYS 15 11.323 -3.529 -7.776 120 HB3 LYS 15 HB1 LYS 15 11.742 -4.172 -6.197 121 HG2 LYS 15 HG2 LYS 15 12.467 -5.815 -7.638 122 HG3 LYS 15 HG1 LYS 15 10.896 -6.385 -7.111 123 HD2 LYS 15 HD2 LYS 15 9.875 -5.768 -9.151 124 HD3 LYS 15 HD1 LYS 15 11.296 -4.846 -9.658 125 HE2 LYS 15 HE2 LYS 15 12.555 -6.765 -10.041 126 HE3 LYS 15 HE1 LYS 15 11.479 -7.770 -9.076 127 HZ1 LYS 15 HZ1 LYS 15 11.165 -8.210 -11.411 128 HZ2 LYS 15 HZ2 LYS 15 10.871 -6.578 -11.727 129 HZ3 LYS 15 HZ3 LYS 15 9.776 -7.467 -10.800 130 H GLU 16 HN GLU 16 9.669 -5.689 -4.623 131 HA GLU 16 HA GLU 16 8.825 -8.045 -6.007 132 HB2 GLU 16 HB2 GLU 16 10.362 -8.233 -4.106 133 HB3 GLU 16 HB1 GLU 16 9.142 -7.548 -3.034 134 HG2 GLU 16 HG2 GLU 16 7.728 -9.597 -3.928 135 HG3 GLU 16 HG1 GLU 16 9.326 -10.267 -4.202 136 H LEU 17 HN LEU 17 7.341 -5.857 -3.675 137 HA LEU 17 HA LEU 17 4.840 -7.189 -3.530 138 HB2 LEU 17 HB2 LEU 17 5.496 -4.260 -3.160 139 HB3 LEU 17 HB1 LEU 17 4.007 -5.026 -2.662 140 HG LEU 17 HG LEU 17 6.642 -5.961 -1.574 141 HD11 LEU 17 HD11 LEU 17 6.471 -3.537 -1.233 142 HD12 LEU 17 HD12 LEU 17 6.383 -4.437 0.278 143 HD13 LEU 17 HD13 LEU 17 4.916 -3.768 -0.439 144 HD21 LEU 17 HD21 LEU 17 4.702 -7.389 -1.173 145 HD22 LEU 17 HD22 LEU 17 3.818 -6.016 -0.516 146 HD23 LEU 17 HD23 LEU 17 5.238 -6.632 0.324 147 H LEU 18 HN LEU 18 6.328 -5.222 -5.918 148 HA LEU 18 HA LEU 18 3.863 -4.709 -7.377 149 HB2 LEU 18 HB2 LEU 18 6.742 -4.025 -7.895 150 HB3 LEU 18 HB1 LEU 18 5.469 -3.697 -9.047 151 HG LEU 18 HG LEU 18 5.656 -2.558 -6.265 152 HD11 LEU 18 HD11 LEU 18 7.321 -1.565 -7.601 153 HD12 LEU 18 HD12 LEU 18 5.972 -0.428 -7.571 154 HD13 LEU 18 HD13 LEU 18 6.242 -1.440 -8.991 155 HD21 LEU 18 HD21 LEU 18 3.702 -1.410 -6.639 156 HD22 LEU 18 HD22 LEU 18 3.336 -2.965 -7.375 157 HD23 LEU 18 HD23 LEU 18 3.791 -1.595 -8.386 158 H SER 19 HN SER 19 6.213 -7.159 -7.233 159 HA SER 19 HA SER 19 6.301 -7.904 -9.962 160 HB2 SER 19 HB2 SER 19 7.374 -9.930 -9.236 161 HB3 SER 19 HB1 SER 19 7.970 -8.614 -8.224 162 HG SER 19 HG SER 19 6.668 -9.309 -6.564 163 H LYS 20 HN LYS 20 5.404 -9.751 -10.964 164 HA LYS 20 HA LYS 20 2.608 -9.931 -10.686 165 HB2 LYS 20 HB2 LYS 20 4.031 -10.304 -12.771 166 HB3 LYS 20 HB1 LYS 20 4.317 -11.929 -12.153 167 HG2 LYS 20 HG2 LYS 20 2.507 -12.101 -13.667 168 HG3 LYS 20 HG1 LYS 20 1.818 -12.189 -12.042 169 HD2 LYS 20 HD2 LYS 20 1.206 -9.831 -12.156 170 HD3 LYS 20 HD1 LYS 20 1.900 -9.721 -13.772 171 HE2 LYS 20 HE2 LYS 20 0.261 -11.285 -14.621 172 HE3 LYS 20 HE1 LYS 20 -0.390 -11.533 -13.003 173 HZ1 LYS 20 HZ1 LYS 20 -1.020 -9.183 -12.964 174 HZ2 LYS 20 HZ2 LYS 20 -1.771 -10.014 -14.229 175 HZ3 LYS 20 HZ3 LYS 20 -0.457 -9.000 -14.548 176 H LYS 21 HN LYS 21 5.151 -11.613 -9.139 177 HA LYS 21 HA LYS 21 3.880 -13.997 -8.416 178 HB2 LYS 21 HB2 LYS 21 6.201 -13.789 -7.988 179 HB3 LYS 21 HB1 LYS 21 5.987 -12.316 -7.073 180 HG2 LYS 21 HG2 LYS 21 4.897 -13.575 -5.292 181 HG3 LYS 21 HG1 LYS 21 5.123 -15.068 -6.194 182 HD2 LYS 21 HD2 LYS 21 7.584 -14.585 -6.178 183 HD3 LYS 21 HD1 LYS 21 7.235 -13.274 -5.050 184 HE2 LYS 21 HE2 LYS 21 7.784 -15.086 -3.671 185 HE3 LYS 21 HE1 LYS 21 6.025 -15.010 -3.669 186 HZ1 LYS 21 HZ1 LYS 21 7.639 -16.858 -5.325 187 HZ2 LYS 21 HZ2 LYS 21 5.951 -16.780 -5.283 188 HZ3 LYS 21 HZ3 LYS 21 6.805 -17.273 -3.911 189 H HIS 22 HN HIS 22 3.630 -10.739 -7.081 190 HA HIS 22 HA HIS 22 1.756 -11.775 -5.049 191 HB2 HIS 22 HB2 HIS 22 3.301 -9.159 -5.065 192 HB3 HIS 22 HB1 HIS 22 2.157 -9.649 -3.812 193 HD1 HIS 22 HD1 HIS 22 2.904 -11.632 -2.236 194 HD2 HIS 22 HD2 HIS 22 5.833 -10.239 -4.845 195 HE1 HIS 22 HE1 HIS 22 5.069 -12.539 -1.339 196 HE2 HIS 22 HE2 HIS 22 6.843 -11.428 -2.759 197 H ALA 23 HN ALA 23 1.899 -10.150 -7.962 198 HA ALA 23 HA ALA 23 0.231 -7.990 -7.817 199 HB1 ALA 23 HB1 ALA 23 1.499 -8.678 -9.785 200 HB2 ALA 23 HB2 ALA 23 -0.178 -8.289 -10.172 201 HB3 ALA 23 HB3 ALA 23 0.338 -9.974 -10.072 202 H ALA 24 HN ALA 24 -0.709 -11.361 -7.923 203 HA ALA 24 HA ALA 24 -3.393 -11.187 -8.562 204 HB1 ALA 24 HB1 ALA 24 -1.838 -13.071 -6.825 205 HB2 ALA 24 HB2 ALA 24 -2.467 -13.326 -8.456 206 HB3 ALA 24 HB3 ALA 24 -3.572 -13.274 -7.082 207 H TYR 25 HN TYR 25 -1.792 -10.396 -5.564 208 HA TYR 25 HA TYR 25 -4.353 -9.445 -4.506 209 HB2 TYR 25 HB2 TYR 25 -3.487 -10.218 -2.197 210 HB3 TYR 25 HB1 TYR 25 -4.151 -11.428 -3.292 211 HD1 TYR 25 HD1 TYR 25 -0.920 -10.002 -2.116 212 HD2 TYR 25 HD2 TYR 25 -2.937 -13.304 -3.870 213 HE1 TYR 25 HE1 TYR 25 1.118 -11.366 -1.892 214 HE2 TYR 25 HE2 TYR 25 -0.904 -14.668 -3.663 215 HH TYR 25 HH TYR 25 1.659 -13.841 -1.723 216 H ALA 26 HN ALA 26 -1.815 -8.323 -5.754 217 HA ALA 26 HA ALA 26 -1.206 -6.365 -3.636 218 HB1 ALA 26 HB1 ALA 26 0.774 -7.631 -4.389 219 HB2 ALA 26 HB2 ALA 26 0.895 -5.916 -4.790 220 HB3 ALA 26 HB3 ALA 26 0.473 -7.082 -6.039 221 H TRP 27 HN TRP 27 -2.787 -6.818 -6.596 222 HA TRP 27 HA TRP 27 -2.289 -4.451 -7.941 223 HB2 TRP 27 HB2 TRP 27 -4.467 -4.784 -9.090 224 HB3 TRP 27 HB1 TRP 27 -3.448 -6.215 -9.074 225 HD1 TRP 27 HD1 TRP 27 -4.352 -8.342 -7.771 226 HE1 TRP 27 HE1 TRP 27 -6.673 -8.973 -6.863 227 HE3 TRP 27 HE3 TRP 27 -6.601 -3.744 -8.001 228 HZ2 TRP 27 HZ2 TRP 27 -9.133 -7.700 -6.334 229 HZ3 TRP 27 HZ3 TRP 27 -8.943 -3.549 -7.286 230 HH2 TRP 27 HH2 TRP 27 -10.182 -5.486 -6.467 231 HA PRO 28 HA PRO 28 -6.062 -2.470 -5.363 232 HB2 PRO 28 HB2 PRO 28 -5.302 -2.932 -2.666 233 HB3 PRO 28 HB1 PRO 28 -6.796 -3.440 -3.447 234 HG2 PRO 28 HG2 PRO 28 -4.385 -4.983 -2.808 235 HG3 PRO 28 HG1 PRO 28 -6.027 -5.552 -3.157 236 HD2 PRO 28 HD2 PRO 28 -3.906 -5.849 -4.869 237 HD3 PRO 28 HD1 PRO 28 -5.596 -5.794 -5.393 238 H PHE 29 HN PHE 29 -2.677 -2.881 -4.745 239 HA PHE 29 HA PHE 29 -2.545 -0.197 -3.523 240 HB2 PHE 29 HB2 PHE 29 -0.296 -2.143 -3.265 241 HB3 PHE 29 HB1 PHE 29 -0.816 -0.870 -2.158 242 HD1 PHE 29 HD1 PHE 29 -0.703 -4.321 -2.674 243 HD2 PHE 29 HD2 PHE 29 -3.248 -1.257 -1.157 244 HE1 PHE 29 HE1 PHE 29 -1.931 -5.989 -1.361 245 HE2 PHE 29 HE2 PHE 29 -4.474 -2.934 0.158 246 HZ PHE 29 HZ PHE 29 -3.811 -5.298 0.052 247 H TYR 30 HN TYR 30 -1.758 -1.907 -6.320 248 HA TYR 30 HA TYR 30 0.672 -0.783 -7.094 249 HB2 TYR 30 HB2 TYR 30 -1.721 -1.697 -8.671 250 HB3 TYR 30 HB1 TYR 30 -0.328 -0.987 -9.479 251 HD1 TYR 30 HD1 TYR 30 0.538 -2.739 -6.531 252 HD2 TYR 30 HD2 TYR 30 -0.312 -3.308 -10.647 253 HE1 TYR 30 HE1 TYR 30 1.690 -4.899 -6.452 254 HE2 TYR 30 HE2 TYR 30 0.827 -5.482 -10.582 255 HH TYR 30 HH TYR 30 1.923 -6.885 -7.570 256 H LYS 31 HN LYS 31 -2.607 0.488 -7.696 257 HA LYS 31 HA LYS 31 -1.438 3.151 -8.008 258 HB2 LYS 31 HB2 LYS 31 -3.348 1.770 -9.877 259 HB3 LYS 31 HB1 LYS 31 -3.154 3.519 -9.860 260 HG2 LYS 31 HG2 LYS 31 -0.753 3.216 -10.351 261 HG3 LYS 31 HG1 LYS 31 -1.029 1.481 -10.463 262 HD2 LYS 31 HD2 LYS 31 -2.737 1.973 -12.242 263 HD3 LYS 31 HD1 LYS 31 -2.180 3.646 -12.211 264 HE2 LYS 31 HE2 LYS 31 -1.047 2.592 -13.998 265 HE3 LYS 31 HE1 LYS 31 0.127 2.770 -12.697 266 HZ1 LYS 31 HZ1 LYS 31 0.263 0.588 -13.712 267 HZ2 LYS 31 HZ2 LYS 31 -1.359 0.282 -13.356 268 HZ3 LYS 31 HZ3 LYS 31 -0.239 0.452 -12.104 269 HA PRO 32 HA PRO 32 -4.596 4.683 -5.335 270 HB2 PRO 32 HB2 PRO 32 -5.577 6.805 -6.858 271 HB3 PRO 32 HB1 PRO 32 -4.176 6.882 -5.786 272 HG2 PRO 32 HG2 PRO 32 -4.280 6.490 -8.745 273 HG3 PRO 32 HG1 PRO 32 -3.139 7.440 -7.775 274 HD2 PRO 32 HD2 PRO 32 -2.442 5.063 -8.753 275 HD3 PRO 32 HD1 PRO 32 -1.934 5.557 -7.124 276 H VAL 33 HN VAL 33 -6.658 4.142 -4.943 277 HA VAL 33 HA VAL 33 -8.087 2.582 -6.778 278 HB VAL 33 HB VAL 33 -9.612 2.180 -5.138 279 HG11 VAL 33 HG11 VAL 33 -7.490 1.782 -4.118 280 HG12 VAL 33 HG12 VAL 33 -8.627 2.368 -2.907 281 HG13 VAL 33 HG13 VAL 33 -7.399 3.450 -3.561 282 HG21 VAL 33 HG21 VAL 33 -10.973 3.925 -4.789 283 HG22 VAL 33 HG22 VAL 33 -9.646 5.093 -4.759 284 HG23 VAL 33 HG23 VAL 33 -10.005 4.129 -3.325 285 H ASP 34 HN ASP 34 -9.986 2.974 -7.927 286 HA ASP 34 HA ASP 34 -10.128 5.705 -8.937 287 HB2 ASP 34 HB2 ASP 34 -11.511 3.181 -9.904 288 HB3 ASP 34 HB1 ASP 34 -11.584 4.748 -10.699 289 H ALA 35 HN ALA 35 -10.981 6.337 -6.802 290 HA ALA 35 HA ALA 35 -13.190 5.332 -5.535 291 HB1 ALA 35 HB1 ALA 35 -12.500 6.851 -4.092 292 HB2 ALA 35 HB2 ALA 35 -13.278 8.094 -5.079 293 HB3 ALA 35 HB3 ALA 35 -11.583 7.687 -5.349 294 H SER 36 HN SER 36 -13.178 7.921 -7.979 295 HA SER 36 HA SER 36 -15.915 8.476 -7.891 296 HB2 SER 36 HB2 SER 36 -14.013 8.668 -10.230 297 HB3 SER 36 HB1 SER 36 -15.587 9.460 -10.127 298 HG SER 36 HG SER 36 -13.477 10.599 -9.445 299 H ALA 37 HN ALA 37 -14.109 6.051 -9.698 300 HA ALA 37 HA ALA 37 -16.377 5.169 -11.219 301 HB1 ALA 37 HB1 ALA 37 -13.654 3.946 -10.827 302 HB2 ALA 37 HB2 ALA 37 -14.166 4.978 -12.162 303 HB3 ALA 37 HB3 ALA 37 -14.866 3.370 -11.972 304 H LEU 38 HN LEU 38 -15.206 4.499 -8.058 305 HA LEU 38 HA LEU 38 -16.791 2.023 -8.000 306 HB2 LEU 38 HB2 LEU 38 -15.136 2.755 -5.666 307 HB3 LEU 38 HB1 LEU 38 -15.705 1.219 -6.168 308 HG LEU 38 HG LEU 38 -13.942 2.159 -8.181 309 HD11 LEU 38 HD11 LEU 38 -12.720 2.152 -5.403 310 HD12 LEU 38 HD12 LEU 38 -13.011 3.597 -6.368 311 HD13 LEU 38 HD13 LEU 38 -11.884 2.372 -6.941 312 HD21 LEU 38 HD21 LEU 38 -13.964 0.022 -6.107 313 HD22 LEU 38 HD22 LEU 38 -12.731 0.116 -7.370 314 HD23 LEU 38 HD23 LEU 38 -14.426 -0.123 -7.804 315 H GLY 39 HN GLY 39 -17.401 5.102 -7.633 316 HA2 GLY 39 HA2 GLY 39 -19.369 6.056 -6.848 317 HA3 GLY 39 HA1 GLY 39 -19.721 4.562 -5.992 318 H LEU 40 HN LEU 40 -16.609 5.557 -5.322 319 HA LEU 40 HA LEU 40 -17.394 6.303 -2.635 320 HB2 LEU 40 HB2 LEU 40 -14.567 6.175 -3.623 321 HB3 LEU 40 HB1 LEU 40 -15.185 5.875 -2.012 322 HG LEU 40 HG LEU 40 -15.361 4.072 -4.407 323 HD11 LEU 40 HD11 LEU 40 -13.291 3.749 -3.452 324 HD12 LEU 40 HD12 LEU 40 -14.265 2.530 -2.650 325 HD13 LEU 40 HD13 LEU 40 -13.880 4.032 -1.819 326 HD21 LEU 40 HD21 LEU 40 -16.693 3.753 -1.732 327 HD22 LEU 40 HD22 LEU 40 -16.557 2.485 -2.943 328 HD23 LEU 40 HD23 LEU 40 -17.489 3.940 -3.288 329 H HIS 41 HN HIS 41 -18.232 8.375 -2.909 330 HA HIS 41 HA HIS 41 -16.627 10.426 -4.200 331 HB2 HIS 41 HB2 HIS 41 -19.243 10.712 -2.688 332 HB3 HIS 41 HB1 HIS 41 -18.500 11.922 -3.722 333 HD1 HIS 41 HD1 HIS 41 -18.653 11.577 -6.282 334 HD2 HIS 41 HD2 HIS 41 -20.701 8.690 -4.070 335 HE1 HIS 41 HE1 HIS 41 -20.127 10.371 -7.922 336 HE2 HIS 41 HE2 HIS 41 -21.414 8.702 -6.549 337 H ASP 42 HN ASP 42 -16.288 8.970 -1.372 338 HA ASP 42 HA ASP 42 -15.662 11.432 0.108 339 HB2 ASP 42 HB2 ASP 42 -16.965 8.914 1.095 340 HB3 ASP 42 HB1 ASP 42 -16.311 10.136 2.178 341 H TYR 43 HN TYR 43 -13.931 9.556 -1.487 342 HA TYR 43 HA TYR 43 -12.606 7.844 0.376 343 HB2 TYR 43 HB2 TYR 43 -12.724 7.222 -1.960 344 HB3 TYR 43 HB1 TYR 43 -11.911 8.698 -2.445 345 HD1 TYR 43 HD1 TYR 43 -11.458 5.418 -0.856 346 HD2 TYR 43 HD2 TYR 43 -9.524 8.858 -2.403 347 HE1 TYR 43 HE1 TYR 43 -9.321 4.210 -0.826 348 HE2 TYR 43 HE2 TYR 43 -7.377 7.666 -2.380 349 HH TYR 43 HH TYR 43 -7.155 4.269 -1.746 350 H HIS 44 HN HIS 44 -11.904 11.025 -0.986 351 HA HIS 44 HA HIS 44 -9.257 11.032 0.196 352 HB2 HIS 44 HB2 HIS 44 -10.760 13.115 -1.392 353 HB3 HIS 44 HB1 HIS 44 -9.148 13.375 -0.737 354 HD1 HIS 44 HD1 HIS 44 -7.205 12.514 -2.098 355 HD2 HIS 44 HD2 HIS 44 -10.866 11.039 -3.416 356 HE1 HIS 44 HE1 HIS 44 -6.716 11.315 -4.254 357 HE2 HIS 44 HE2 HIS 44 -8.968 10.567 -5.105 358 H ASP 45 HN ASP 45 -12.309 11.578 1.337 359 HA ASP 45 HA ASP 45 -11.549 13.629 3.260 360 HB2 ASP 45 HB2 ASP 45 -14.112 12.124 2.758 361 HB3 ASP 45 HB1 ASP 45 -13.892 13.126 4.185 362 H ILE 46 HN ILE 46 -12.484 10.211 3.245 363 HA ILE 46 HA ILE 46 -11.986 9.864 6.044 364 HB ILE 46 HB ILE 46 -12.500 7.909 3.803 365 HG12 ILE 46 HG12 ILE 46 -14.434 7.324 5.273 366 HG13 ILE 46 HG11 ILE 46 -13.993 8.665 6.317 367 HG21 ILE 46 HG21 ILE 46 -11.119 6.531 5.023 368 HG22 ILE 46 HG22 ILE 46 -12.657 6.237 5.824 369 HG23 ILE 46 HG23 ILE 46 -11.482 7.334 6.547 370 HD11 ILE 46 HD11 ILE 46 -14.793 8.881 3.427 371 HD12 ILE 46 HD12 ILE 46 -14.389 10.224 4.498 372 HD13 ILE 46 HD13 ILE 46 -15.819 9.242 4.816 373 H ILE 47 HN ILE 47 -10.235 9.140 3.070 374 HA ILE 47 HA ILE 47 -7.955 8.235 4.621 375 HB ILE 47 HB ILE 47 -8.322 8.325 1.634 376 HG12 ILE 47 HG12 ILE 47 -9.893 6.809 2.810 377 HG13 ILE 47 HG11 ILE 47 -8.750 5.930 1.803 378 HG21 ILE 47 HG21 ILE 47 -6.404 6.686 1.724 379 HG22 ILE 47 HG22 ILE 47 -6.174 7.181 3.396 380 HG23 ILE 47 HG23 ILE 47 -6.006 8.358 2.097 381 HD11 ILE 47 HD11 ILE 47 -8.440 6.307 4.767 382 HD12 ILE 47 HD12 ILE 47 -7.517 5.244 3.709 383 HD13 ILE 47 HD13 ILE 47 -9.208 4.917 4.024 384 H LYS 48 HN LYS 48 -7.002 9.971 5.520 385 HA LYS 48 HA LYS 48 -6.516 12.368 3.988 386 HB2 LYS 48 HB2 LYS 48 -5.967 11.562 6.823 387 HB3 LYS 48 HB1 LYS 48 -5.309 13.039 6.140 388 HG2 LYS 48 HG2 LYS 48 -8.239 12.354 6.215 389 HG3 LYS 48 HG1 LYS 48 -7.419 13.376 7.397 390 HD2 LYS 48 HD2 LYS 48 -7.012 15.065 5.812 391 HD3 LYS 48 HD1 LYS 48 -7.327 13.984 4.458 392 HE2 LYS 48 HE2 LYS 48 -9.145 15.578 4.809 393 HE3 LYS 48 HE1 LYS 48 -9.648 13.901 4.989 394 HZ1 LYS 48 HZ1 LYS 48 -10.607 15.274 6.713 395 HZ2 LYS 48 HZ2 LYS 48 -9.077 15.794 7.202 396 HZ3 LYS 48 HZ3 LYS 48 -9.520 14.178 7.397 397 H HIS 49 HN HIS 49 -4.793 9.480 4.857 398 HA HIS 49 HA HIS 49 -2.433 10.577 3.479 399 HB2 HIS 49 HB2 HIS 49 -1.177 8.728 4.744 400 HB3 HIS 49 HB1 HIS 49 -1.669 10.158 5.640 401 HD1 HIS 49 HD1 HIS 49 -2.828 6.584 5.073 402 HD2 HIS 49 HD2 HIS 49 -3.093 9.627 7.886 403 HE1 HIS 49 HE1 HIS 49 -3.939 5.552 7.081 404 HE2 HIS 49 HE2 HIS 49 -3.947 7.370 8.818 405 HA PRO 50 HA PRO 50 -3.960 7.002 0.875 406 HB2 PRO 50 HB2 PRO 50 -4.220 8.351 -1.437 407 HB3 PRO 50 HB1 PRO 50 -5.518 8.305 -0.236 408 HG2 PRO 50 HG2 PRO 50 -3.462 10.440 -0.722 409 HG3 PRO 50 HG1 PRO 50 -5.215 10.609 -0.483 410 HD2 PRO 50 HD2 PRO 50 -3.446 11.025 1.523 411 HD3 PRO 50 HD1 PRO 50 -5.062 10.341 1.803 412 H MET 51 HN MET 51 -2.201 5.819 0.427 413 HA MET 51 HA MET 51 -0.176 7.009 -1.315 414 HB2 MET 51 HB2 MET 51 0.852 7.071 0.850 415 HB3 MET 51 HB1 MET 51 0.351 5.423 1.216 416 HG2 MET 51 HG2 MET 51 2.767 5.655 0.664 417 HG3 MET 51 HG1 MET 51 1.903 4.538 -0.396 418 HE1 MET 51 HE1 MET 51 3.136 8.189 0.001 419 HE2 MET 51 HE2 MET 51 1.566 8.482 -0.735 420 HE3 MET 51 HE3 MET 51 3.042 8.832 -1.634 421 H ASP 52 HN ASP 52 0.897 5.550 -2.666 422 HA ASP 52 HA ASP 52 -0.332 2.897 -2.962 423 HB2 ASP 52 HB2 ASP 52 0.300 4.522 -5.411 424 HB3 ASP 52 HB1 ASP 52 -0.901 3.243 -5.208 425 H LEU 53 HN LEU 53 1.135 1.335 -3.952 426 HA LEU 53 HA LEU 53 3.812 1.702 -3.234 427 HB2 LEU 53 HB2 LEU 53 2.429 -0.306 -4.956 428 HB3 LEU 53 HB1 LEU 53 4.181 -0.306 -4.838 429 HG LEU 53 HG LEU 53 2.362 -0.444 -2.445 430 HD11 LEU 53 HD11 LEU 53 2.081 -2.344 -3.999 431 HD12 LEU 53 HD12 LEU 53 2.697 -2.807 -2.420 432 HD13 LEU 53 HD13 LEU 53 3.787 -2.717 -3.806 433 HD21 LEU 53 HD21 LEU 53 4.522 0.330 -1.861 434 HD22 LEU 53 HD22 LEU 53 5.304 -0.899 -2.848 435 HD23 LEU 53 HD23 LEU 53 4.429 -1.364 -1.390 436 H SER 54 HN SER 54 2.270 2.159 -6.384 437 HA SER 54 HA SER 54 4.636 2.668 -7.834 438 HB2 SER 54 HB2 SER 54 1.833 3.701 -8.320 439 HB3 SER 54 HB1 SER 54 3.158 3.775 -9.477 440 HG SER 54 HG SER 54 1.619 1.616 -8.650 441 H THR 55 HN THR 55 2.721 4.667 -5.706 442 HA THR 55 HA THR 55 3.980 7.142 -6.478 443 HB THR 55 HB THR 55 2.457 6.739 -3.921 444 HG1 THR 55 HG1 THR 55 0.558 6.764 -5.051 445 HG21 THR 55 HG21 THR 55 3.603 8.883 -4.456 446 HG22 THR 55 HG22 THR 55 1.858 9.038 -4.247 447 HG23 THR 55 HG23 THR 55 2.558 9.042 -5.867 448 H VAL 56 HN VAL 56 4.306 4.743 -3.921 449 HA VAL 56 HA VAL 56 6.198 6.065 -2.327 450 HB VAL 56 HB VAL 56 5.972 3.094 -2.877 451 HG11 VAL 56 HG11 VAL 56 8.165 3.703 -1.976 452 HG12 VAL 56 HG12 VAL 56 7.213 2.799 -0.794 453 HG13 VAL 56 HG13 VAL 56 7.382 4.548 -0.639 454 HG21 VAL 56 HG21 VAL 56 3.945 4.146 -1.924 455 HG22 VAL 56 HG22 VAL 56 4.912 4.699 -0.559 456 HG23 VAL 56 HG23 VAL 56 4.695 2.973 -0.843 457 H LYS 57 HN LYS 57 6.559 3.898 -5.083 458 HA LYS 57 HA LYS 57 9.365 3.961 -5.218 459 HB2 LYS 57 HB2 LYS 57 7.341 2.650 -6.566 460 HB3 LYS 57 HB1 LYS 57 8.040 3.687 -7.802 461 HG2 LYS 57 HG2 LYS 57 10.269 2.763 -7.242 462 HG3 LYS 57 HG1 LYS 57 9.486 1.651 -6.134 463 HD2 LYS 57 HD2 LYS 57 8.122 0.820 -8.067 464 HD3 LYS 57 HD1 LYS 57 9.162 1.787 -9.119 465 HE2 LYS 57 HE2 LYS 57 11.120 0.581 -8.271 466 HE3 LYS 57 HE1 LYS 57 10.065 -0.396 -7.248 467 HZ1 LYS 57 HZ1 LYS 57 9.962 -0.304 -10.216 468 HZ2 LYS 57 HZ2 LYS 57 9.019 -1.288 -9.221 469 HZ3 LYS 57 HZ3 LYS 57 10.688 -1.530 -9.308 470 H ARG 58 HN ARG 58 6.841 5.879 -6.710 471 HA ARG 58 HA ARG 58 8.293 7.490 -8.425 472 HB2 ARG 58 HB2 ARG 58 5.853 7.448 -8.264 473 HB3 ARG 58 HB1 ARG 58 5.932 8.207 -6.685 474 HG2 ARG 58 HG2 ARG 58 6.925 10.207 -7.712 475 HG3 ARG 58 HG1 ARG 58 6.759 9.454 -9.295 476 HD2 ARG 58 HD2 ARG 58 4.353 9.335 -8.997 477 HD3 ARG 58 HD1 ARG 58 4.510 10.026 -7.386 478 HE ARG 58 HE ARG 58 5.594 11.958 -8.803 479 HH11 ARG 58 HH11 ARG 58 2.759 10.047 -9.557 480 HH12 ARG 58 HH12 ARG 58 1.947 11.341 -10.379 481 HH21 ARG 58 HH21 ARG 58 4.517 13.675 -9.868 482 HH22 ARG 58 HH22 ARG 58 2.938 13.411 -10.536 483 H LYS 59 HN LYS 59 7.550 8.042 -5.002 484 HA LYS 59 HA LYS 59 9.058 10.472 -4.887 485 HB2 LYS 59 HB2 LYS 59 7.855 8.757 -2.703 486 HB3 LYS 59 HB1 LYS 59 8.563 10.350 -2.455 487 HG2 LYS 59 HG2 LYS 59 6.867 11.424 -3.652 488 HG3 LYS 59 HG1 LYS 59 6.328 9.922 -4.401 489 HD2 LYS 59 HD2 LYS 59 4.771 10.714 -2.671 490 HD3 LYS 59 HD1 LYS 59 5.451 9.139 -2.279 491 HE2 LYS 59 HE2 LYS 59 6.911 11.478 -1.220 492 HE3 LYS 59 HE1 LYS 59 5.304 11.202 -0.547 493 HZ1 LYS 59 HZ1 LYS 59 7.186 10.102 0.647 494 HZ2 LYS 59 HZ2 LYS 59 7.359 9.075 -0.688 495 HZ3 LYS 59 HZ3 LYS 59 5.919 9.070 0.202 496 H MET 60 HN MET 60 9.682 7.098 -4.122 497 HA MET 60 HA MET 60 12.235 7.435 -2.964 498 HB2 MET 60 HB2 MET 60 11.063 5.278 -2.901 499 HB3 MET 60 HB1 MET 60 11.191 5.142 -4.648 500 HG2 MET 60 HG2 MET 60 13.732 5.290 -4.245 501 HG3 MET 60 HG1 MET 60 13.326 4.899 -2.577 502 HE1 MET 60 HE1 MET 60 11.837 2.809 -1.935 503 HE2 MET 60 HE2 MET 60 11.438 1.489 -3.033 504 HE3 MET 60 HE3 MET 60 10.669 3.064 -3.231 505 H GLU 61 HN GLU 61 11.150 7.221 -6.327 506 HA GLU 61 HA GLU 61 13.701 7.175 -7.541 507 HB2 GLU 61 HB2 GLU 61 10.999 8.100 -8.503 508 HB3 GLU 61 HB1 GLU 61 12.421 8.159 -9.530 509 HG2 GLU 61 HG2 GLU 61 12.675 5.761 -9.373 510 HG3 GLU 61 HG1 GLU 61 11.325 5.669 -8.241 511 H ASN 62 HN ASN 62 11.705 9.746 -6.310 512 HA ASN 62 HA ASN 62 13.410 11.838 -7.367 513 HB2 ASN 62 HB2 ASN 62 10.993 11.836 -5.566 514 HB3 ASN 62 HB1 ASN 62 11.948 13.291 -5.815 515 HD21 ASN 62 HD21 ASN 62 11.462 10.930 -8.337 516 HD22 ASN 62 HD22 ASN 62 10.422 11.903 -9.315 517 H ARG 63 HN ARG 63 13.686 9.642 -5.021 518 HA ARG 63 HA ARG 63 15.030 9.298 -3.257 519 HB2 ARG 63 HB2 ARG 63 16.542 11.693 -4.296 520 HB3 ARG 63 HB1 ARG 63 17.178 10.401 -3.290 521 HG2 ARG 63 HG2 ARG 63 16.101 10.000 -6.069 522 HG3 ARG 63 HG1 ARG 63 17.807 10.238 -5.676 523 HD2 ARG 63 HD2 ARG 63 17.989 8.192 -4.615 524 HD3 ARG 63 HD1 ARG 63 16.257 8.059 -4.331 525 HE ARG 63 HE ARG 63 15.966 7.320 -6.523 526 HH11 ARG 63 HH11 ARG 63 19.315 8.142 -5.926 527 HH12 ARG 63 HH12 ARG 63 19.908 7.229 -7.278 528 HH21 ARG 63 HH21 ARG 63 16.746 6.135 -8.313 529 HH22 ARG 63 HH22 ARG 63 18.449 6.097 -8.639 530 H ASP 64 HN ASP 64 12.741 11.012 -2.896 531 HA ASP 64 HA ASP 64 13.333 13.091 -1.060 532 HB2 ASP 64 HB2 ASP 64 10.882 11.442 -1.618 533 HB3 ASP 64 HB1 ASP 64 10.914 12.564 -0.264 534 H TYR 65 HN TYR 65 13.311 9.699 -0.830 535 HA TYR 65 HA TYR 65 12.915 9.563 2.030 536 HB2 TYR 65 HB2 TYR 65 13.727 7.414 0.054 537 HB3 TYR 65 HB1 TYR 65 13.279 7.142 1.730 538 HD1 TYR 65 HD1 TYR 65 11.555 5.552 1.102 539 HD2 TYR 65 HD2 TYR 65 11.423 9.552 -0.325 540 HE1 TYR 65 HE1 TYR 65 9.220 5.228 0.399 541 HE2 TYR 65 HE2 TYR 65 9.102 9.232 -1.021 542 HH TYR 65 HH TYR 65 7.221 6.595 -0.044 543 H ARG 66 HN ARG 66 14.499 9.193 3.545 544 HA ARG 66 HA ARG 66 17.271 9.335 2.582 545 HB2 ARG 66 HB2 ARG 66 16.640 11.037 4.214 546 HB3 ARG 66 HB1 ARG 66 16.083 9.799 5.329 547 HG2 ARG 66 HG2 ARG 66 18.423 8.952 5.468 548 HG3 ARG 66 HG1 ARG 66 18.925 10.328 4.476 549 HD2 ARG 66 HD2 ARG 66 19.293 10.866 6.782 550 HD3 ARG 66 HD1 ARG 66 17.936 11.829 6.193 551 HE ARG 66 HE ARG 66 17.222 9.323 7.465 552 HH11 ARG 66 HH11 ARG 66 17.755 12.760 7.871 553 HH12 ARG 66 HH12 ARG 66 16.810 12.867 9.320 554 HH21 ARG 66 HH21 ARG 66 15.957 9.469 9.374 555 HH22 ARG 66 HH22 ARG 66 15.784 11.002 10.171 556 H ASP 67 HN ASP 67 14.986 7.327 4.301 557 HA ASP 67 HA ASP 67 16.977 5.199 4.465 558 HB2 ASP 67 HB2 ASP 67 15.403 6.263 6.821 559 HB3 ASP 67 HB1 ASP 67 16.161 4.677 6.811 560 H ALA 68 HN ALA 68 15.906 3.118 5.102 561 HA ALA 68 HA ALA 68 13.647 2.729 3.394 562 HB1 ALA 68 HB1 ALA 68 14.968 0.819 5.306 563 HB2 ALA 68 HB2 ALA 68 15.388 1.031 3.605 564 HB3 ALA 68 HB3 ALA 68 13.807 0.386 4.052 565 H GLN 69 HN GLN 69 14.081 3.529 6.660 566 HA GLN 69 HA GLN 69 11.631 2.443 7.645 567 HB2 GLN 69 HB2 GLN 69 13.574 3.020 9.108 568 HB3 GLN 69 HB1 GLN 69 13.242 4.720 8.802 569 HG2 GLN 69 HG2 GLN 69 12.269 4.164 10.893 570 HG3 GLN 69 HG1 GLN 69 10.970 4.364 9.716 571 HE21 GLN 69 HE21 GLN 69 12.684 2.121 11.721 572 HE22 GLN 69 HE22 GLN 69 11.589 0.798 11.517 573 H GLU 70 HN GLU 70 12.624 5.339 6.022 574 HA GLU 70 HA GLU 70 10.159 6.728 6.411 575 HB2 GLU 70 HB2 GLU 70 12.439 7.133 4.476 576 HB3 GLU 70 HB1 GLU 70 11.008 8.155 4.500 577 HG2 GLU 70 HG2 GLU 70 11.561 8.512 6.979 578 HG3 GLU 70 HG1 GLU 70 13.151 7.873 6.558 579 H PHE 71 HN PHE 71 11.526 4.534 4.064 580 HA PHE 71 HA PHE 71 9.382 4.566 2.228 581 HB2 PHE 71 HB2 PHE 71 11.231 3.464 1.372 582 HB3 PHE 71 HB1 PHE 71 11.573 2.627 2.879 583 HD1 PHE 71 HD1 PHE 71 9.480 2.649 -0.135 584 HD2 PHE 71 HD2 PHE 71 10.569 0.501 3.365 585 HE1 PHE 71 HE1 PHE 71 8.364 0.641 -1.025 586 HE2 PHE 71 HE2 PHE 71 9.449 -1.503 2.493 587 HZ PHE 71 HZ PHE 71 8.352 -1.439 0.289 588 H ALA 72 HN ALA 72 10.099 2.411 4.975 589 HA ALA 72 HA ALA 72 7.792 0.895 4.933 590 HB1 ALA 72 HB1 ALA 72 9.544 1.745 7.231 591 HB2 ALA 72 HB2 ALA 72 9.586 0.225 6.335 592 HB3 ALA 72 HB3 ALA 72 8.225 0.585 7.398 593 H ALA 73 HN ALA 73 8.388 4.050 6.343 594 HA ALA 73 HA ALA 73 6.002 4.447 7.696 595 HB1 ALA 73 HB1 ALA 73 7.981 6.253 6.384 596 HB2 ALA 73 HB2 ALA 73 7.599 6.062 8.098 597 HB3 ALA 73 HB3 ALA 73 6.484 6.922 7.036 598 H ASP 74 HN ASP 74 6.801 5.074 4.289 599 HA ASP 74 HA ASP 74 4.268 6.176 3.636 600 HB2 ASP 74 HB2 ASP 74 6.763 5.455 2.233 601 HB3 ASP 74 HB1 ASP 74 5.313 5.431 1.254 602 H VAL 75 HN VAL 75 5.782 3.021 2.905 603 HA VAL 75 HA VAL 75 3.559 2.028 1.465 604 HB VAL 75 HB VAL 75 5.687 1.024 1.066 605 HG11 VAL 75 HG11 VAL 75 6.803 1.347 3.146 606 HG12 VAL 75 HG12 VAL 75 6.804 -0.381 2.796 607 HG13 VAL 75 HG13 VAL 75 5.674 0.279 3.978 608 HG21 VAL 75 HG21 VAL 75 5.209 -1.402 1.481 609 HG22 VAL 75 HG22 VAL 75 3.911 -0.506 0.687 610 HG23 VAL 75 HG23 VAL 75 3.792 -0.890 2.404 611 H ARG 76 HN ARG 76 4.437 1.846 4.870 612 HA ARG 76 HA ARG 76 2.352 -0.051 5.473 613 HB2 ARG 76 HB2 ARG 76 3.954 -0.240 7.120 614 HB3 ARG 76 HB1 ARG 76 4.299 1.492 7.124 615 HG2 ARG 76 HG2 ARG 76 2.251 1.890 8.387 616 HG3 ARG 76 HG1 ARG 76 1.877 0.166 8.333 617 HD2 ARG 76 HD2 ARG 76 3.970 -0.302 9.546 618 HD3 ARG 76 HD1 ARG 76 4.286 1.429 9.637 619 HE ARG 76 HE ARG 76 1.741 0.726 10.737 620 HH11 ARG 76 HH11 ARG 76 5.172 0.888 11.413 621 HH12 ARG 76 HH12 ARG 76 4.957 0.994 13.129 622 HH21 ARG 76 HH21 ARG 76 1.460 0.859 12.999 623 HH22 ARG 76 HH22 ARG 76 2.852 0.981 14.028 624 H LEU 77 HN LEU 77 2.612 3.440 5.391 625 HA LEU 77 HA LEU 77 0.193 4.127 6.606 626 HB2 LEU 77 HB2 LEU 77 2.122 5.361 4.819 627 HB3 LEU 77 HB1 LEU 77 0.487 5.882 4.474 628 HG LEU 77 HG LEU 77 1.932 6.129 7.099 629 HD11 LEU 77 HD11 LEU 77 1.051 8.087 5.014 630 HD12 LEU 77 HD12 LEU 77 2.693 7.766 5.569 631 HD13 LEU 77 HD13 LEU 77 1.535 8.558 6.641 632 HD21 LEU 77 HD21 LEU 77 -0.929 6.569 6.319 633 HD22 LEU 77 HD22 LEU 77 -0.183 7.481 7.643 634 HD23 LEU 77 HD23 LEU 77 -0.270 5.722 7.728 635 H MET 78 HN MET 78 0.938 3.055 3.373 636 HA MET 78 HA MET 78 -1.605 3.367 2.231 637 HB2 MET 78 HB2 MET 78 0.246 3.026 0.785 638 HB3 MET 78 HB1 MET 78 0.688 1.525 1.585 639 HG2 MET 78 HG2 MET 78 -2.010 1.583 0.412 640 HG3 MET 78 HG1 MET 78 -0.667 1.674 -0.738 641 HE1 MET 78 HE1 MET 78 1.640 -0.031 0.539 642 HE2 MET 78 HE2 MET 78 1.081 -0.128 -1.127 643 HE3 MET 78 HE3 MET 78 1.268 -1.599 -0.175 644 H PHE 79 HN PHE 79 -0.124 0.412 3.624 645 HA PHE 79 HA PHE 79 -2.432 -1.156 3.509 646 HB2 PHE 79 HB2 PHE 79 -0.209 -1.271 5.554 647 HB3 PHE 79 HB1 PHE 79 -1.427 -2.522 5.305 648 HD1 PHE 79 HD1 PHE 79 -1.608 -2.968 2.527 649 HD2 PHE 79 HD2 PHE 79 1.834 -1.937 4.804 650 HE1 PHE 79 HE1 PHE 79 -0.174 -4.020 0.827 651 HE2 PHE 79 HE2 PHE 79 3.271 -2.988 3.118 652 HZ PHE 79 HZ PHE 79 2.288 -4.021 1.113 653 H SER 80 HN SER 80 -1.334 1.125 5.943 654 HA SER 80 HA SER 80 -3.213 0.626 7.941 655 HB2 SER 80 HB2 SER 80 -1.177 2.000 8.246 656 HB3 SER 80 HB1 SER 80 -1.888 3.264 7.241 657 HG SER 80 HG SER 80 -3.101 2.281 9.613 658 H ASN 81 HN ASN 81 -3.349 3.030 5.277 659 HA ASN 81 HA ASN 81 -5.813 4.092 6.172 660 HB2 ASN 81 HB2 ASN 81 -5.869 5.450 4.239 661 HB3 ASN 81 HB1 ASN 81 -4.173 5.283 4.659 662 HD21 ASN 81 HD21 ASN 81 -2.796 4.502 3.192 663 HD22 ASN 81 HD22 ASN 81 -3.254 3.914 1.632 664 H CYS 82 HN CYS 82 -5.026 1.397 4.113 665 HA CYS 82 HA CYS 82 -7.598 1.052 2.964 666 HB2 CYS 82 HB2 CYS 82 -5.828 -0.243 1.979 667 HB3 CYS 82 HB1 CYS 82 -5.444 -1.008 3.527 668 HG CYS 82 HG CYS 82 -6.597 -3.055 2.276 669 H TYR 83 HN TYR 83 -6.181 -0.182 5.995 670 HA TYR 83 HA TYR 83 -8.472 -1.671 6.768 671 HB2 TYR 83 HB2 TYR 83 -6.357 -0.390 8.510 672 HB3 TYR 83 HB1 TYR 83 -7.592 -1.510 9.081 673 HD1 TYR 83 HD1 TYR 83 -7.496 -3.556 6.899 674 HD2 TYR 83 HD2 TYR 83 -4.346 -1.515 8.934 675 HE1 TYR 83 HE1 TYR 83 -5.994 -5.467 6.507 676 HE2 TYR 83 HE2 TYR 83 -2.865 -3.420 8.545 677 HH TYR 83 HH TYR 83 -3.503 -5.852 6.357 678 H LYS 84 HN LYS 84 -7.709 1.698 6.858 679 HA LYS 84 HA LYS 84 -9.588 2.389 8.898 680 HB2 LYS 84 HB2 LYS 84 -7.641 3.812 8.384 681 HB3 LYS 84 HB1 LYS 84 -8.328 4.147 6.795 682 HG2 LYS 84 HG2 LYS 84 -10.177 5.291 7.744 683 HG3 LYS 84 HG1 LYS 84 -9.709 4.807 9.374 684 HD2 LYS 84 HD2 LYS 84 -7.829 6.219 9.363 685 HD3 LYS 84 HD1 LYS 84 -7.915 6.451 7.614 686 HE2 LYS 84 HE2 LYS 84 -8.727 8.394 8.924 687 HE3 LYS 84 HE1 LYS 84 -9.923 7.723 7.810 688 HZ1 LYS 84 HZ1 LYS 84 -9.791 7.215 10.741 689 HZ2 LYS 84 HZ2 LYS 84 -10.940 6.568 9.683 690 HZ3 LYS 84 HZ3 LYS 84 -10.895 8.234 9.964 691 H TYR 85 HN TYR 85 -9.628 2.554 5.350 692 HA TYR 85 HA TYR 85 -12.233 3.737 5.299 693 HB2 TYR 85 HB2 TYR 85 -10.662 4.137 3.474 694 HB3 TYR 85 HB1 TYR 85 -10.666 2.428 3.062 695 HD1 TYR 85 HD1 TYR 85 -12.757 5.446 3.312 696 HD2 TYR 85 HD2 TYR 85 -12.412 1.559 1.612 697 HE1 TYR 85 HE1 TYR 85 -14.719 5.898 1.901 698 HE2 TYR 85 HE2 TYR 85 -14.364 1.998 0.198 699 HH TYR 85 HH TYR 85 -16.413 3.537 0.334 700 H ASN 86 HN ASN 86 -10.958 0.512 4.521 701 HA ASN 86 HA ASN 86 -13.648 -0.433 3.961 702 HB2 ASN 86 HB2 ASN 86 -10.989 -1.872 3.771 703 HB3 ASN 86 HB1 ASN 86 -12.539 -2.497 3.201 704 HD21 ASN 86 HD21 ASN 86 -9.959 -0.259 2.631 705 HD22 ASN 86 HD22 ASN 86 -10.424 0.193 1.027 706 HA PRO 87 HA PRO 87 -14.092 -2.196 8.051 707 HB2 PRO 87 HB2 PRO 87 -16.239 -3.786 7.386 708 HB3 PRO 87 HB1 PRO 87 -16.369 -2.087 7.846 709 HG2 PRO 87 HG2 PRO 87 -16.412 -3.330 5.139 710 HG3 PRO 87 HG1 PRO 87 -17.343 -1.955 5.762 711 HD2 PRO 87 HD2 PRO 87 -15.186 -1.659 4.149 712 HD3 PRO 87 HD1 PRO 87 -15.630 -0.465 5.385 713 HA PRO 88 HA PRO 88 -11.668 -5.795 7.919 714 HB2 PRO 88 HB2 PRO 88 -13.036 -7.367 9.780 715 HB3 PRO 88 HB1 PRO 88 -11.787 -6.176 10.142 716 HG2 PRO 88 HG2 PRO 88 -14.754 -5.906 10.252 717 HG3 PRO 88 HG1 PRO 88 -13.522 -5.222 11.328 718 HD2 PRO 88 HD2 PRO 88 -14.741 -3.706 9.507 719 HD3 PRO 88 HD1 PRO 88 -13.010 -3.502 9.849 720 H ASP 89 HN ASP 89 -15.076 -6.151 7.395 721 HA ASP 89 HA ASP 89 -14.701 -8.794 6.195 722 HB2 ASP 89 HB2 ASP 89 -17.279 -7.195 6.443 723 HB3 ASP 89 HB1 ASP 89 -17.124 -8.874 5.939 724 H HIS 90 HN HIS 90 -13.236 -7.715 4.614 725 HA HIS 90 HA HIS 90 -14.695 -7.139 2.194 726 HB2 HIS 90 HB2 HIS 90 -14.150 -4.930 3.669 727 HB3 HIS 90 HB1 HIS 90 -12.645 -5.071 2.778 728 HD1 HIS 90 HD1 HIS 90 -12.691 -4.644 0.255 729 HD2 HIS 90 HD2 HIS 90 -16.409 -4.208 2.042 730 HE1 HIS 90 HE1 HIS 90 -14.137 -3.542 -1.461 731 HE2 HIS 90 HE2 HIS 90 -16.418 -3.454 -0.417 732 H ASP 91 HN ASP 91 -13.208 -7.006 0.307 733 HA ASP 91 HA ASP 91 -11.191 -8.984 0.459 734 HB2 ASP 91 HB2 ASP 91 -11.979 -7.046 -1.709 735 HB3 ASP 91 HB1 ASP 91 -10.657 -8.187 -1.911 736 H VAL 92 HN VAL 92 -10.988 -5.447 0.211 737 HA VAL 92 HA VAL 92 -8.251 -5.380 -0.423 738 HB VAL 92 HB VAL 92 -9.079 -2.978 0.952 739 HG11 VAL 92 HG11 VAL 92 -7.233 -3.241 -0.697 740 HG12 VAL 92 HG12 VAL 92 -8.348 -1.929 -1.063 741 HG13 VAL 92 HG13 VAL 92 -8.451 -3.448 -1.951 742 HG21 VAL 92 HG21 VAL 92 -11.317 -3.707 0.319 743 HG22 VAL 92 HG22 VAL 92 -10.797 -3.893 -1.352 744 HG23 VAL 92 HG23 VAL 92 -10.824 -2.294 -0.605 745 H VAL 93 HN VAL 93 -9.900 -5.563 2.637 746 HA VAL 93 HA VAL 93 -7.609 -4.762 4.164 747 HB VAL 93 HB VAL 93 -8.844 -5.463 6.139 748 HG11 VAL 93 HG11 VAL 93 -10.671 -4.081 4.182 749 HG12 VAL 93 HG12 VAL 93 -9.367 -3.299 5.083 750 HG13 VAL 93 HG13 VAL 93 -10.747 -3.983 5.943 751 HG21 VAL 93 HG21 VAL 93 -10.939 -6.528 4.253 752 HG22 VAL 93 HG22 VAL 93 -11.034 -6.488 6.015 753 HG23 VAL 93 HG23 VAL 93 -9.842 -7.515 5.218 754 H ALA 94 HN ALA 94 -8.969 -7.791 3.043 755 HA ALA 94 HA ALA 94 -7.222 -9.480 4.528 756 HB1 ALA 94 HB1 ALA 94 -8.791 -10.027 2.006 757 HB2 ALA 94 HB2 ALA 94 -9.328 -10.327 3.659 758 HB3 ALA 94 HB3 ALA 94 -7.980 -11.246 2.988 759 H MET 95 HN MET 95 -7.198 -8.136 1.253 760 HA MET 95 HA MET 95 -4.767 -9.347 0.452 761 HB2 MET 95 HB2 MET 95 -6.149 -6.849 -0.553 762 HB3 MET 95 HB1 MET 95 -4.727 -7.558 -1.310 763 HG2 MET 95 HG2 MET 95 -6.056 -9.667 -1.619 764 HG3 MET 95 HG1 MET 95 -7.472 -8.782 -1.057 765 HE1 MET 95 HE1 MET 95 -8.132 -6.385 -2.222 766 HE2 MET 95 HE2 MET 95 -9.103 -7.737 -2.792 767 HE3 MET 95 HE3 MET 95 -8.479 -6.558 -3.940 768 H ALA 96 HN ALA 96 -5.517 -6.280 2.065 769 HA ALA 96 HA ALA 96 -2.887 -5.225 1.992 770 HB1 ALA 96 HB1 ALA 96 -4.621 -3.694 2.469 771 HB2 ALA 96 HB2 ALA 96 -3.688 -3.842 3.959 772 HB3 ALA 96 HB3 ALA 96 -5.230 -4.683 3.797 773 H ARG 97 HN ARG 97 -4.523 -7.485 4.085 774 HA ARG 97 HA ARG 97 -2.599 -7.390 6.197 775 HB2 ARG 97 HB2 ARG 97 -4.991 -8.116 6.444 776 HB3 ARG 97 HB1 ARG 97 -4.569 -9.594 5.591 777 HG2 ARG 97 HG2 ARG 97 -2.863 -10.028 7.372 778 HG3 ARG 97 HG1 ARG 97 -3.545 -8.658 8.255 779 HD2 ARG 97 HD2 ARG 97 -4.519 -10.706 9.074 780 HD3 ARG 97 HD1 ARG 97 -5.742 -9.769 8.218 781 HE ARG 97 HE ARG 97 -4.319 -11.957 6.863 782 HH11 ARG 97 HH11 ARG 97 -7.299 -10.503 7.980 783 HH12 ARG 97 HH12 ARG 97 -8.310 -11.637 7.146 784 HH21 ARG 97 HH21 ARG 97 -5.645 -13.454 5.770 785 HH22 ARG 97 HH22 ARG 97 -7.369 -13.318 5.889 786 H LYS 98 HN LYS 98 -3.194 -9.518 3.449 787 HA LYS 98 HA LYS 98 -1.210 -11.431 4.145 788 HB2 LYS 98 HB2 LYS 98 -3.213 -11.843 2.718 789 HB3 LYS 98 HB1 LYS 98 -2.466 -10.890 1.452 790 HG2 LYS 98 HG2 LYS 98 -0.633 -12.516 1.318 791 HG3 LYS 98 HG1 LYS 98 -1.388 -13.454 2.607 792 HD2 LYS 98 HD2 LYS 98 -3.391 -13.721 1.179 793 HD3 LYS 98 HD1 LYS 98 -2.547 -12.869 -0.113 794 HE2 LYS 98 HE2 LYS 98 -0.872 -14.568 -0.218 795 HE3 LYS 98 HE1 LYS 98 -1.554 -15.396 1.181 796 HZ1 LYS 98 HZ1 LYS 98 -3.519 -15.900 -0.074 797 HZ2 LYS 98 HZ2 LYS 98 -2.171 -16.429 -0.951 798 HZ3 LYS 98 HZ3 LYS 98 -2.970 -15.009 -1.400 799 H LEU 99 HN LEU 99 -1.273 -8.703 1.864 800 HA LEU 99 HA LEU 99 1.429 -8.910 1.083 801 HB2 LEU 99 HB2 LEU 99 -0.662 -6.832 0.904 802 HB3 LEU 99 HB1 LEU 99 0.985 -6.283 0.823 803 HG LEU 99 HG LEU 99 -0.625 -7.614 -1.212 804 HD11 LEU 99 HD11 LEU 99 1.996 -6.206 -1.439 805 HD12 LEU 99 HD12 LEU 99 0.475 -5.342 -1.229 806 HD13 LEU 99 HD13 LEU 99 0.728 -6.350 -2.654 807 HD21 LEU 99 HD21 LEU 99 2.267 -8.405 -1.008 808 HD22 LEU 99 HD22 LEU 99 1.086 -8.921 -2.212 809 HD23 LEU 99 HD23 LEU 99 0.940 -9.477 -0.547 810 H GLN 100 HN GLN 100 -0.117 -7.461 3.872 811 HA GLN 100 HA GLN 100 2.080 -6.014 4.865 812 HB2 GLN 100 HB2 GLN 100 -0.197 -5.872 5.833 813 HB3 GLN 100 HB1 GLN 100 -0.048 -7.527 6.407 814 HG2 GLN 100 HG2 GLN 100 0.327 -6.123 8.259 815 HG3 GLN 100 HG1 GLN 100 1.890 -6.785 7.795 816 HE21 GLN 100 HE21 GLN 100 1.177 -4.376 9.308 817 HE22 GLN 100 HE22 GLN 100 1.940 -3.064 8.484 818 H ASP 101 HN ASP 101 1.129 -9.400 5.158 819 HA ASP 101 HA ASP 101 3.065 -10.282 6.945 820 HB2 ASP 101 HB2 ASP 101 1.865 -11.781 4.610 821 HB3 ASP 101 HB1 ASP 101 2.783 -12.523 5.912 822 H VAL 102 HN VAL 102 3.228 -10.246 3.370 823 HA VAL 102 HA VAL 102 5.905 -11.180 3.297 824 HB VAL 102 HB VAL 102 4.750 -11.485 1.283 825 HG11 VAL 102 HG11 VAL 102 3.881 -9.549 -0.047 826 HG12 VAL 102 HG12 VAL 102 4.038 -8.589 1.422 827 HG13 VAL 102 HG13 VAL 102 2.968 -9.992 1.391 828 HG21 VAL 102 HG21 VAL 102 6.178 -9.177 0.198 829 HG22 VAL 102 HG22 VAL 102 6.365 -10.901 -0.152 830 HG23 VAL 102 HG23 VAL 102 7.152 -10.199 1.263 831 H PHE 103 HN PHE 103 4.634 -7.872 2.828 832 HA PHE 103 HA PHE 103 7.081 -6.591 2.545 833 HB2 PHE 103 HB2 PHE 103 5.377 -5.175 2.020 834 HB3 PHE 103 HB1 PHE 103 4.365 -5.692 3.365 835 HD1 PHE 103 HD1 PHE 103 7.686 -4.039 2.888 836 HD2 PHE 103 HD2 PHE 103 3.963 -4.030 4.989 837 HE1 PHE 103 HE1 PHE 103 8.396 -2.058 4.155 838 HE2 PHE 103 HE2 PHE 103 4.686 -2.058 6.246 839 HZ PHE 103 HZ PHE 103 6.899 -1.068 5.837 840 H GLU 104 HN GLU 104 5.368 -7.384 5.571 841 HA GLU 104 HA GLU 104 7.199 -5.887 7.174 842 HB2 GLU 104 HB2 GLU 104 5.994 -6.553 9.029 843 HB3 GLU 104 HB1 GLU 104 4.779 -6.657 7.768 844 HG2 GLU 104 HG2 GLU 104 5.023 -9.058 7.675 845 HG3 GLU 104 HG1 GLU 104 6.364 -8.994 8.818 846 H PHE 105 HN PHE 105 7.011 -9.188 6.068 847 HA PHE 105 HA PHE 105 9.067 -10.229 7.728 848 HB2 PHE 105 HB2 PHE 105 7.477 -11.719 6.672 849 HB3 PHE 105 HB1 PHE 105 7.955 -11.160 5.074 850 HD1 PHE 105 HD1 PHE 105 9.356 -12.502 3.867 851 HD2 PHE 105 HD2 PHE 105 9.510 -12.663 8.115 852 HE1 PHE 105 HE1 PHE 105 11.019 -14.308 3.734 853 HE2 PHE 105 HE2 PHE 105 11.173 -14.470 7.990 854 HZ PHE 105 HZ PHE 105 11.928 -15.294 5.796 855 H ARG 106 HN ARG 106 8.978 -8.738 4.545 856 HA ARG 106 HA ARG 106 11.661 -9.227 3.844 857 HB2 ARG 106 HB2 ARG 106 9.826 -6.981 2.993 858 HB3 ARG 106 HB1 ARG 106 11.343 -7.389 2.217 859 HG2 ARG 106 HG2 ARG 106 8.866 -9.086 2.337 860 HG3 ARG 106 HG1 ARG 106 9.511 -8.248 0.928 861 HD2 ARG 106 HD2 ARG 106 11.507 -9.651 1.005 862 HD3 ARG 106 HD1 ARG 106 10.868 -10.487 2.421 863 HE ARG 106 HE ARG 106 9.272 -10.484 -0.025 864 HH11 ARG 106 HH11 ARG 106 11.382 -12.253 2.143 865 HH12 ARG 106 HH12 ARG 106 10.959 -13.799 1.485 866 HH21 ARG 106 HH21 ARG 106 8.721 -12.481 -0.886 867 HH22 ARG 106 HH22 ARG 106 9.426 -13.936 -0.242 868 H TYR 107 HN TYR 107 10.070 -6.472 5.405 869 HA TYR 107 HA TYR 107 12.462 -4.962 5.682 870 HB2 TYR 107 HB2 TYR 107 10.103 -4.030 5.803 871 HB3 TYR 107 HB1 TYR 107 10.006 -4.694 7.435 872 HD1 TYR 107 HD1 TYR 107 11.375 -2.045 5.346 873 HD2 TYR 107 HD2 TYR 107 11.435 -3.774 9.234 874 HE1 TYR 107 HE1 TYR 107 12.461 -0.021 6.226 875 HE2 TYR 107 HE2 TYR 107 12.527 -1.757 10.119 876 HH TYR 107 HH TYR 107 13.796 0.104 9.418 877 H ALA 108 HN ALA 108 10.942 -7.466 7.570 878 HA ALA 108 HA ALA 108 12.313 -7.025 10.011 879 HB1 ALA 108 HB1 ALA 108 10.239 -8.346 9.810 880 HB2 ALA 108 HB2 ALA 108 11.522 -9.208 10.658 881 HB3 ALA 108 HB3 ALA 108 11.152 -9.607 8.980 882 H LYS 109 HN LYS 109 13.100 -8.832 7.107 883 HA LYS 109 HA LYS 109 15.515 -9.897 8.362 884 HB2 LYS 109 HB2 LYS 109 13.859 -10.652 6.103 885 HB3 LYS 109 HB1 LYS 109 15.557 -10.586 5.655 886 HG2 LYS 109 HG2 LYS 109 14.895 -12.822 6.383 887 HG3 LYS 109 HG1 LYS 109 16.122 -12.122 7.442 888 HD2 LYS 109 HD2 LYS 109 14.320 -11.476 9.024 889 HD3 LYS 109 HD1 LYS 109 13.153 -12.287 7.981 890 HE2 LYS 109 HE2 LYS 109 15.512 -13.610 9.318 891 HE3 LYS 109 HE1 LYS 109 13.850 -13.668 9.906 892 HZ1 LYS 109 HZ1 LYS 109 14.823 -14.754 7.316 893 HZ2 LYS 109 HZ2 LYS 109 13.220 -14.785 7.847 894 HZ3 LYS 109 HZ3 LYS 109 14.401 -15.657 8.682 895 H MET 110 HN MET 110 14.510 -7.220 6.659 896 HA MET 110 HA MET 110 16.944 -6.572 5.306 897 HB2 MET 110 HB2 MET 110 14.995 -5.516 4.451 898 HB3 MET 110 HB1 MET 110 14.467 -5.015 6.047 899 HG2 MET 110 HG2 MET 110 17.017 -3.906 5.025 900 HG3 MET 110 HG1 MET 110 15.510 -3.310 4.332 901 HE1 MET 110 HE1 MET 110 15.894 -0.861 5.130 902 HE2 MET 110 HE2 MET 110 17.479 -1.362 5.726 903 HE3 MET 110 HE3 MET 110 16.401 -0.425 6.763 904 HA PRO 111 HA PRO 111 18.912 -5.089 9.059 905 HB2 PRO 111 HB2 PRO 111 21.342 -4.565 8.009 906 HB3 PRO 111 HB1 PRO 111 20.807 -6.198 8.417 907 HG2 PRO 111 HG2 PRO 111 21.059 -4.902 5.765 908 HG3 PRO 111 HG1 PRO 111 21.220 -6.608 6.205 909 HD2 PRO 111 HD2 PRO 111 18.991 -5.390 5.018 910 HD3 PRO 111 HD1 PRO 111 19.036 -7.011 5.757 911 H ASP 112 HN ASP 112 19.338 -3.111 9.916 912 HA ASP 112 HA ASP 112 19.308 -0.781 8.142 913 HB2 ASP 112 HB2 ASP 112 16.996 -1.064 8.797 914 HB3 ASP 112 HB1 ASP 112 17.453 -1.238 10.487 915 H1 HIS 281 HT1 HIS 281 -21.824 4.975 13.568 916 H2 HIS 281 HT2 HIS 281 -22.976 4.178 12.622 917 H3 HIS 281 HT3 HIS 281 -23.414 4.820 14.123 918 HA HIS 281 HA HIS 281 -24.191 6.170 12.271 919 HB2 HIS 281 HB2 HIS 281 -23.383 8.327 13.105 920 HB3 HIS 281 HB1 HIS 281 -23.747 7.240 14.437 921 HD1 HIS 281 HD1 HIS 281 -21.891 6.769 16.077 922 HD2 HIS 281 HD2 HIS 281 -20.561 8.745 12.670 923 HE1 HIS 281 HE1 HIS 281 -19.520 7.444 16.567 924 HE2 HIS 281 HE2 HIS 281 -18.706 8.560 14.464 925 H ASN 282 HN ASN 282 -23.577 7.784 10.663 926 HA ASN 282 HA ASN 282 -22.529 8.424 8.768 927 HB2 ASN 282 HB2 ASN 282 -20.606 8.998 10.179 928 HB3 ASN 282 HB1 ASN 282 -20.025 7.340 10.082 929 HD21 ASN 282 HD21 ASN 282 -20.472 10.328 8.365 930 HD22 ASN 282 HD22 ASN 282 -19.424 9.956 7.040 931 H LEU 283 HN LEU 283 -23.443 7.187 7.255 932 HA LEU 283 HA LEU 283 -22.775 4.398 6.971 933 HB2 LEU 283 HB2 LEU 283 -25.052 5.218 6.538 934 HB3 LEU 283 HB1 LEU 283 -24.448 6.200 5.219 935 HG LEU 283 HG LEU 283 -23.781 4.144 4.016 936 HD11 LEU 283 HD11 LEU 283 -23.426 2.672 5.911 937 HD12 LEU 283 HD12 LEU 283 -24.611 1.977 4.804 938 HD13 LEU 283 HD13 LEU 283 -25.144 2.735 6.305 939 HD21 LEU 283 HD21 LEU 283 -26.052 3.408 3.457 940 HD22 LEU 283 HD22 LEU 283 -25.932 5.164 3.555 941 HD23 LEU 283 HD23 LEU 283 -26.666 4.255 4.875 942 H LEU 284 HN LEU 284 -20.509 4.691 6.656 943 HA LEU 284 HA LEU 284 -19.452 6.035 4.399 944 HB2 LEU 284 HB2 LEU 284 -18.124 5.528 6.402 945 HB3 LEU 284 HB1 LEU 284 -18.277 3.813 6.075 946 HG LEU 284 HG LEU 284 -16.972 4.079 4.014 947 HD11 LEU 284 HD11 LEU 284 -17.479 6.294 3.332 948 HD12 LEU 284 HD12 LEU 284 -15.755 6.257 3.699 949 HD13 LEU 284 HD13 LEU 284 -16.886 6.967 4.849 950 HD21 LEU 284 HD21 LEU 284 -14.816 4.538 5.062 951 HD22 LEU 284 HD22 LEU 284 -15.830 3.536 6.099 952 HD23 LEU 284 HD23 LEU 284 -15.637 5.253 6.449 953 H ARG 285 HN ARG 285 -19.058 5.340 2.379 954 HA ARG 285 HA ARG 285 -20.478 3.072 1.399 955 HB2 ARG 285 HB2 ARG 285 -18.529 4.977 0.099 956 HB3 ARG 285 HB1 ARG 285 -19.258 3.637 -0.770 957 HG2 ARG 285 HG2 ARG 285 -20.530 5.517 -1.324 958 HG3 ARG 285 HG1 ARG 285 -21.500 4.639 -0.144 959 HD2 ARG 285 HD2 ARG 285 -20.830 6.165 1.598 960 HD3 ARG 285 HD1 ARG 285 -19.714 6.979 0.500 961 HE ARG 285 HE ARG 285 -22.342 7.034 -0.551 962 HH11 ARG 285 HH11 ARG 285 -20.369 8.504 1.937 963 HH12 ARG 285 HH12 ARG 285 -21.273 9.980 1.961 964 HH21 ARG 285 HH21 ARG 285 -23.547 8.979 -0.504 965 HH22 ARG 285 HH22 ARG 285 -23.081 10.245 0.587 966 H ILE 286 HN ILE 286 -19.635 1.187 0.474 967 HA ILE 286 HA ILE 286 -16.977 0.459 1.445 968 HB ILE 286 HB ILE 286 -17.596 -1.878 0.792 969 HG12 ILE 286 HG12 ILE 286 -19.490 -1.026 -0.775 970 HG13 ILE 286 HG11 ILE 286 -19.738 -2.511 0.133 971 HG21 ILE 286 HG21 ILE 286 -17.719 -1.146 3.088 972 HG22 ILE 286 HG22 ILE 286 -19.046 -2.252 2.736 973 HG23 ILE 286 HG23 ILE 286 -19.346 -0.516 2.830 974 HD11 ILE 286 HD11 ILE 286 -21.058 -1.259 1.780 975 HD12 ILE 286 HD12 ILE 286 -21.733 -1.146 0.156 976 HD13 ILE 286 HD13 ILE 286 -20.833 0.208 0.832 977 HH31 ALY 287 HH1 ALY 287 -6.724 1.079 -1.414 978 HH32 ALY 287 HH2 ALY 287 -6.688 1.771 0.210 979 HH33 ALY 287 HH3 ALY 287 -6.921 0.035 -0.003 980 HZ ALY 287 HZ1 ALY 287 -8.848 0.195 -2.165 981 HE3 ALY 287 HE2 ALY 287 -11.010 1.867 -1.881 982 HE2 ALY 287 HE1 ALY 287 -11.263 0.564 -0.720 983 HD3 ALY 287 HD2 ALY 287 -11.138 -1.083 -2.486 984 HD2 ALY 287 HD1 ALY 287 -10.761 0.171 -3.668 985 HG3 ALY 287 HG2 ALY 287 -13.108 -0.544 -3.767 986 HG2 ALY 287 HG1 ALY 287 -12.935 1.166 -3.376 987 HB3 ALY 287 HB2 ALY 287 -13.295 0.673 -1.019 988 HB2 ALY 287 HB1 ALY 287 -13.441 -1.036 -1.392 989 HCA ALY 287 HA ALY 287 -15.277 1.070 -2.503 990 H ALY 287 HN ALY 287 -15.312 0.098 0.107 991 H GLN 288 HN GLN 288 -15.678 0.200 -4.468 992 HA GLN 288 HA GLN 288 -17.207 -2.232 -4.534 993 HB2 GLN 288 HB2 GLN 288 -17.733 -0.150 -5.848 994 HB3 GLN 288 HB1 GLN 288 -16.339 -0.506 -6.855 995 HG2 GLN 288 HG2 GLN 288 -17.356 -2.596 -7.555 996 HG3 GLN 288 HG1 GLN 288 -18.742 -2.284 -6.511 997 HE21 GLN 288 HE21 GLN 288 -18.795 0.565 -7.104 998 HE22 GLN 288 HE22 GLN 288 -19.418 0.718 -8.711 999 H PHE 289 HN PHE 289 -15.159 -3.336 -3.703 1000 HA PHE 289 HA PHE 289 -13.565 -4.339 -5.972 1001 HB2 PHE 289 HB2 PHE 289 -12.927 -3.921 -3.081 1002 HB3 PHE 289 HB1 PHE 289 -12.137 -5.244 -3.923 1003 HD1 PHE 289 HD1 PHE 289 -12.908 -2.321 -5.914 1004 HD2 PHE 289 HD2 PHE 289 -10.013 -4.102 -3.352 1005 HE1 PHE 289 HE1 PHE 289 -11.193 -0.778 -6.773 1006 HE2 PHE 289 HE2 PHE 289 -8.305 -2.553 -4.201 1007 HZ PHE 289 HZ PHE 289 -8.892 -0.890 -5.914 1008 H LEU 290 HN LEU 290 -16.280 -5.151 -5.053 1009 HA LEU 290 HA LEU 290 -15.861 -7.796 -3.932 1010 HB2 LEU 290 HB2 LEU 290 -18.371 -6.323 -4.735 1011 HB3 LEU 290 HB1 LEU 290 -18.370 -7.969 -4.140 1012 HG LEU 290 HG LEU 290 -17.280 -7.063 -2.025 1013 HD11 LEU 290 HD11 LEU 290 -16.552 -4.909 -2.912 1014 HD12 LEU 290 HD12 LEU 290 -17.631 -4.706 -1.531 1015 HD13 LEU 290 HD13 LEU 290 -18.233 -4.442 -3.168 1016 HD21 LEU 290 HD21 LEU 290 -19.590 -7.761 -2.089 1017 HD22 LEU 290 HD22 LEU 290 -20.070 -6.202 -2.755 1018 HD23 LEU 290 HD23 LEU 290 -19.432 -6.299 -1.114 1019 H GLN 291 HN GLN 291 -14.586 -8.527 -5.735 1020 HA GLN 291 HA GLN 291 -15.935 -8.781 -8.300 1021 HB2 GLN 291 HB2 GLN 291 -13.150 -9.638 -7.495 1022 HB3 GLN 291 HB1 GLN 291 -13.785 -9.565 -9.134 1023 HG2 GLN 291 HG2 GLN 291 -14.044 -7.144 -8.923 1024 HG3 GLN 291 HG1 GLN 291 -13.393 -7.221 -7.288 1025 HE21 GLN 291 HE21 GLN 291 -12.423 -5.779 -9.606 1026 HE22 GLN 291 HE22 GLN 291 -10.805 -6.322 -9.877 1027 H SER 292 HN SER 292 -14.126 -11.014 -6.186 1028 HA SER 292 HA SER 292 -16.081 -13.096 -6.821 1029 HB2 SER 292 HB2 SER 292 -13.080 -13.454 -7.009 1030 HB3 SER 292 HB1 SER 292 -14.287 -14.714 -7.251 1031 HG SER 292 HG SER 292 -15.110 -13.344 -8.992 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 24.890 10.146 -1.825 2 H2 GLY 1 HT2 GLY 1 25.530 9.262 -3.115 3 H3 GLY 1 HT3 GLY 1 24.860 8.455 -1.788 4 HA2 GLY 1 HA1 GLY 1 22.679 9.367 -2.313 5 HA3 GLY 1 HA2 GLY 1 23.385 10.164 -3.708 6 H LYS 2 HN LYS 2 21.906 9.044 -5.038 7 HA LYS 2 HA LYS 2 21.242 7.422 -6.465 8 HB2 LYS 2 HB2 LYS 2 23.971 6.249 -5.905 9 HB3 LYS 2 HB1 LYS 2 22.916 5.793 -7.235 10 HG2 LYS 2 HG2 LYS 2 24.156 8.500 -6.804 11 HG3 LYS 2 HG1 LYS 2 24.673 7.289 -7.978 12 HD2 LYS 2 HD2 LYS 2 22.468 7.448 -9.071 13 HD3 LYS 2 HD1 LYS 2 22.008 8.704 -7.920 14 HE2 LYS 2 HE2 LYS 2 24.285 8.847 -9.891 15 HE3 LYS 2 HE1 LYS 2 22.736 9.673 -10.038 16 HZ1 LYS 2 HZ1 LYS 2 24.477 11.130 -9.195 17 HZ2 LYS 2 HZ2 LYS 2 24.714 10.116 -7.865 18 HZ3 LYS 2 HZ3 LYS 2 23.246 10.934 -8.055 19 H LEU 3 HN LEU 3 20.294 7.142 -3.908 20 HA LEU 3 HA LEU 3 19.126 5.691 -2.617 21 HB2 LEU 3 HB2 LEU 3 19.910 3.699 -4.748 22 HB3 LEU 3 HB1 LEU 3 18.889 3.305 -3.376 23 HG LEU 3 HG LEU 3 18.197 5.377 -5.457 24 HD11 LEU 3 HD11 LEU 3 17.251 2.527 -5.137 25 HD12 LEU 3 HD12 LEU 3 18.260 3.152 -6.443 26 HD13 LEU 3 HD13 LEU 3 16.595 3.707 -6.274 27 HD21 LEU 3 HD21 LEU 3 17.185 5.710 -3.219 28 HD22 LEU 3 HD22 LEU 3 16.506 4.085 -3.317 29 HD23 LEU 3 HD23 LEU 3 15.996 5.324 -4.464 30 H SER 4 HN SER 4 20.189 5.610 -0.733 31 HA SER 4 HA SER 4 22.647 4.295 -0.306 32 HB2 SER 4 HB2 SER 4 20.482 4.841 1.741 33 HB3 SER 4 HB1 SER 4 22.202 4.606 2.053 34 HG SER 4 HG SER 4 22.548 6.622 1.582 35 H GLU 5 HN GLU 5 22.727 2.383 1.392 36 HA GLU 5 HA GLU 5 21.757 0.138 0.057 37 HB2 GLU 5 HB2 GLU 5 22.705 0.424 2.908 38 HB3 GLU 5 HB1 GLU 5 22.427 -1.118 2.110 39 HG2 GLU 5 HG2 GLU 5 24.151 -0.694 0.520 40 HG3 GLU 5 HG1 GLU 5 24.330 0.967 1.078 41 H GLN 6 HN GLN 6 20.442 1.831 2.867 42 HA GLN 6 HA GLN 6 18.286 0.128 3.427 43 HB2 GLN 6 HB2 GLN 6 18.570 3.120 3.741 44 HB3 GLN 6 HB1 GLN 6 17.156 2.238 4.287 45 HG2 GLN 6 HG2 GLN 6 18.756 2.766 6.083 46 HG3 GLN 6 HG1 GLN 6 18.442 1.039 5.905 47 HE21 GLN 6 HE21 GLN 6 20.088 -0.304 5.241 48 HE22 GLN 6 HE22 GLN 6 21.740 0.209 5.173 49 H LEU 7 HN LEU 7 18.543 2.887 1.206 50 HA LEU 7 HA LEU 7 15.798 2.764 0.442 51 HB2 LEU 7 HB2 LEU 7 18.122 4.250 -0.762 52 HB3 LEU 7 HB1 LEU 7 16.458 4.435 -1.287 53 HG LEU 7 HG LEU 7 17.434 5.023 1.497 54 HD11 LEU 7 HD11 LEU 7 18.402 6.548 -0.151 55 HD12 LEU 7 HD12 LEU 7 17.227 7.365 0.881 56 HD13 LEU 7 HD13 LEU 7 16.787 6.903 -0.764 57 HD21 LEU 7 HD21 LEU 7 15.147 4.524 1.649 58 HD22 LEU 7 HD22 LEU 7 14.790 5.327 0.118 59 HD23 LEU 7 HD23 LEU 7 15.221 6.284 1.535 60 H LYS 8 HN LYS 8 18.736 1.329 -0.747 61 HA LYS 8 HA LYS 8 17.632 0.465 -3.231 62 HB2 LYS 8 HB2 LYS 8 20.039 0.540 -2.931 63 HB3 LYS 8 HB1 LYS 8 19.935 -0.591 -1.599 64 HG2 LYS 8 HG2 LYS 8 20.749 -1.702 -3.583 65 HG3 LYS 8 HG1 LYS 8 19.165 -2.334 -3.133 66 HD2 LYS 8 HD2 LYS 8 19.347 -2.005 -5.549 67 HD3 LYS 8 HD1 LYS 8 18.116 -0.954 -4.849 68 HE2 LYS 8 HE2 LYS 8 19.588 0.934 -4.942 69 HE3 LYS 8 HE1 LYS 8 20.941 -0.085 -5.438 70 HZ1 LYS 8 HZ1 LYS 8 19.807 -0.557 -7.502 71 HZ2 LYS 8 HZ2 LYS 8 19.964 1.116 -7.308 72 HZ3 LYS 8 HZ3 LYS 8 18.473 0.368 -7.028 73 H HIS 9 HN HIS 9 17.768 -0.817 0.027 74 HA HIS 9 HA HIS 9 16.593 -3.329 -0.637 75 HB2 HIS 9 HB2 HIS 9 17.910 -2.452 1.541 76 HB3 HIS 9 HB1 HIS 9 16.255 -2.250 2.106 77 HD1 HIS 9 HD1 HIS 9 18.848 -4.618 2.229 78 HD2 HIS 9 HD2 HIS 9 14.765 -4.882 1.482 79 HE1 HIS 9 HE1 HIS 9 18.227 -7.009 2.692 80 HE2 HIS 9 HE2 HIS 9 15.804 -7.187 2.035 81 H CYS 10 HN CYS 10 15.351 -0.163 0.303 82 HA CYS 10 HA CYS 10 12.657 -1.043 0.607 83 HB2 CYS 10 HB2 CYS 10 12.025 1.222 0.790 84 HB3 CYS 10 HB1 CYS 10 13.615 1.114 1.550 85 HG CYS 10 HG CYS 10 14.325 1.898 -1.452 86 H ASN 11 HN ASN 11 14.644 -0.134 -2.077 87 HA ASN 11 HA ASN 11 12.515 0.157 -3.957 88 HB2 ASN 11 HB2 ASN 11 14.829 1.084 -4.283 89 HB3 ASN 11 HB1 ASN 11 15.404 -0.566 -4.501 90 HD21 ASN 11 HD21 ASN 11 13.454 1.988 -5.851 91 HD22 ASN 11 HD22 ASN 11 13.385 1.350 -7.461 92 H GLY 12 HN GLY 12 14.552 -2.464 -2.840 93 HA2 GLY 12 HA2 GLY 12 13.794 -4.375 -4.791 94 HA3 GLY 12 HA1 GLY 12 14.547 -4.723 -3.240 95 H ILE 13 HN ILE 13 12.734 -3.965 -1.401 96 HA ILE 13 HA ILE 13 10.823 -5.980 -1.419 97 HB ILE 13 HB ILE 13 10.845 -3.428 0.165 98 HG12 ILE 13 HG12 ILE 13 11.984 -6.168 0.597 99 HG13 ILE 13 HG11 ILE 13 12.826 -4.650 0.607 100 HG21 ILE 13 HG21 ILE 13 8.830 -5.409 -0.034 101 HG22 ILE 13 HG22 ILE 13 8.885 -4.006 1.029 102 HG23 ILE 13 HG23 ILE 13 9.574 -5.541 1.558 103 HD11 ILE 13 HD11 ILE 13 11.740 -4.030 2.669 104 HD12 ILE 13 HD12 ILE 13 12.638 -5.525 2.837 105 HD13 ILE 13 HD13 ILE 13 10.881 -5.555 2.687 106 H LEU 14 HN LEU 14 10.491 -2.548 -2.199 107 HA LEU 14 HA LEU 14 7.761 -2.476 -2.731 108 HB2 LEU 14 HB2 LEU 14 9.808 -0.673 -2.916 109 HB3 LEU 14 HB1 LEU 14 9.440 -0.954 -4.604 110 HG LEU 14 HG LEU 14 7.376 -0.155 -2.572 111 HD11 LEU 14 HD11 LEU 14 9.185 1.456 -4.328 112 HD12 LEU 14 HD12 LEU 14 8.844 1.654 -2.606 113 HD13 LEU 14 HD13 LEU 14 7.618 2.078 -3.802 114 HD21 LEU 14 HD21 LEU 14 6.828 -1.286 -4.898 115 HD22 LEU 14 HD22 LEU 14 7.180 0.338 -5.497 116 HD23 LEU 14 HD23 LEU 14 5.910 0.103 -4.310 117 H LYS 15 HN LYS 15 10.458 -3.219 -4.909 118 HA LYS 15 HA LYS 15 9.063 -3.708 -7.230 119 HB2 LYS 15 HB2 LYS 15 11.292 -3.689 -7.642 120 HB3 LYS 15 HB1 LYS 15 11.685 -4.438 -6.101 121 HG2 LYS 15 HG2 LYS 15 12.288 -6.009 -7.724 122 HG3 LYS 15 HG1 LYS 15 10.762 -6.551 -7.052 123 HD2 LYS 15 HD2 LYS 15 9.555 -5.738 -8.955 124 HD3 LYS 15 HD1 LYS 15 11.018 -4.997 -9.615 125 HE2 LYS 15 HE2 LYS 15 11.951 -7.028 -10.175 126 HE3 LYS 15 HE1 LYS 15 10.974 -7.909 -9.008 127 HZ1 LYS 15 HZ1 LYS 15 10.202 -8.390 -11.211 128 HZ2 LYS 15 HZ2 LYS 15 10.057 -6.749 -11.585 129 HZ3 LYS 15 HZ3 LYS 15 9.026 -7.448 -10.443 130 H GLU 16 HN GLU 16 9.709 -5.784 -4.502 131 HA GLU 16 HA GLU 16 8.788 -8.199 -5.671 132 HB2 GLU 16 HB2 GLU 16 10.227 -8.180 -3.679 133 HB3 GLU 16 HB1 GLU 16 8.914 -7.470 -2.741 134 HG2 GLU 16 HG2 GLU 16 8.994 -9.818 -2.274 135 HG3 GLU 16 HG1 GLU 16 7.557 -9.484 -3.228 136 H LEU 17 HN LEU 17 7.212 -5.838 -3.545 137 HA LEU 17 HA LEU 17 4.680 -7.126 -3.484 138 HB2 LEU 17 HB2 LEU 17 5.348 -4.192 -3.170 139 HB3 LEU 17 HB1 LEU 17 3.836 -4.937 -2.714 140 HG LEU 17 HG LEU 17 6.399 -5.876 -1.474 141 HD11 LEU 17 HD11 LEU 17 6.249 -3.396 -1.307 142 HD12 LEU 17 HD12 LEU 17 6.209 -4.229 0.244 143 HD13 LEU 17 HD13 LEU 17 4.719 -3.593 -0.456 144 HD21 LEU 17 HD21 LEU 17 4.377 -7.192 -1.069 145 HD22 LEU 17 HD22 LEU 17 3.536 -5.747 -0.520 146 HD23 LEU 17 HD23 LEU 17 4.896 -6.379 0.403 147 H LEU 18 HN LEU 18 6.293 -5.201 -5.840 148 HA LEU 18 HA LEU 18 3.871 -4.678 -7.375 149 HB2 LEU 18 HB2 LEU 18 6.754 -3.951 -7.807 150 HB3 LEU 18 HB1 LEU 18 5.479 -3.581 -8.946 151 HG LEU 18 HG LEU 18 5.698 -2.553 -6.125 152 HD11 LEU 18 HD11 LEU 18 7.265 -1.409 -7.453 153 HD12 LEU 18 HD12 LEU 18 5.847 -0.358 -7.376 154 HD13 LEU 18 HD13 LEU 18 6.153 -1.320 -8.823 155 HD21 LEU 18 HD21 LEU 18 3.719 -1.382 -6.451 156 HD22 LEU 18 HD22 LEU 18 3.355 -2.996 -7.023 157 HD23 LEU 18 HD23 LEU 18 3.683 -1.702 -8.176 158 H SER 19 HN SER 19 6.070 -7.144 -7.082 159 HA SER 19 HA SER 19 6.345 -7.916 -9.813 160 HB2 SER 19 HB2 SER 19 6.726 -9.532 -7.282 161 HB3 SER 19 HB1 SER 19 7.243 -10.023 -8.895 162 HG SER 19 HG SER 19 8.076 -7.555 -7.817 163 H LYS 20 HN LYS 20 5.335 -9.553 -10.923 164 HA LYS 20 HA LYS 20 2.550 -9.642 -10.641 165 HB2 LYS 20 HB2 LYS 20 4.106 -10.057 -12.713 166 HB3 LYS 20 HB1 LYS 20 4.010 -11.741 -12.206 167 HG2 LYS 20 HG2 LYS 20 2.310 -11.456 -13.808 168 HG3 LYS 20 HG1 LYS 20 1.491 -11.457 -12.243 169 HD2 LYS 20 HD2 LYS 20 1.499 -8.979 -12.283 170 HD3 LYS 20 HD1 LYS 20 2.215 -9.033 -13.892 171 HE2 LYS 20 HE2 LYS 20 0.247 -10.245 -14.713 172 HE3 LYS 20 HE1 LYS 20 -0.469 -10.167 -13.104 173 HZ1 LYS 20 HZ1 LYS 20 -1.357 -8.443 -14.518 174 HZ2 LYS 20 HZ2 LYS 20 0.188 -7.841 -14.828 175 HZ3 LYS 20 HZ3 LYS 20 -0.457 -7.746 -13.269 176 H LYS 21 HN LYS 21 5.032 -11.601 -9.321 177 HA LYS 21 HA LYS 21 3.735 -13.941 -8.623 178 HB2 LYS 21 HB2 LYS 21 6.071 -13.687 -8.190 179 HB3 LYS 21 HB1 LYS 21 5.802 -12.281 -7.183 180 HG2 LYS 21 HG2 LYS 21 4.678 -13.715 -5.530 181 HG3 LYS 21 HG1 LYS 21 5.066 -15.124 -6.513 182 HD2 LYS 21 HD2 LYS 21 7.487 -14.430 -6.332 183 HD3 LYS 21 HD1 LYS 21 6.966 -13.265 -5.109 184 HE2 LYS 21 HE2 LYS 21 7.570 -15.113 -3.837 185 HE3 LYS 21 HE1 LYS 21 5.823 -15.280 -4.011 186 HZ1 LYS 21 HZ1 LYS 21 6.168 -16.854 -5.794 187 HZ2 LYS 21 HZ2 LYS 21 6.942 -17.378 -4.390 188 HZ3 LYS 21 HZ3 LYS 21 7.845 -16.701 -5.648 189 H HIS 22 HN HIS 22 3.482 -10.731 -7.199 190 HA HIS 22 HA HIS 22 1.633 -11.801 -5.165 191 HB2 HIS 22 HB2 HIS 22 3.169 -9.176 -5.186 192 HB3 HIS 22 HB1 HIS 22 2.057 -9.694 -3.907 193 HD1 HIS 22 HD1 HIS 22 2.861 -11.704 -2.375 194 HD2 HIS 22 HD2 HIS 22 5.700 -10.262 -5.065 195 HE1 HIS 22 HE1 HIS 22 5.054 -12.659 -1.600 196 HE2 HIS 22 HE2 HIS 22 6.755 -11.824 -3.289 197 H ALA 23 HN ALA 23 1.754 -10.094 -8.047 198 HA ALA 23 HA ALA 23 0.032 -7.974 -7.809 199 HB1 ALA 23 HB1 ALA 23 1.347 -8.531 -9.789 200 HB2 ALA 23 HB2 ALA 23 -0.331 -8.150 -10.179 201 HB3 ALA 23 HB3 ALA 23 0.215 -9.829 -10.167 202 H ALA 24 HN ALA 24 -0.785 -11.363 -8.047 203 HA ALA 24 HA ALA 24 -3.479 -11.236 -8.690 204 HB1 ALA 24 HB1 ALA 24 -1.881 -13.160 -7.036 205 HB2 ALA 24 HB2 ALA 24 -2.456 -13.342 -8.694 206 HB3 ALA 24 HB3 ALA 24 -3.600 -13.404 -7.354 207 H TYR 25 HN TYR 25 -1.882 -10.403 -5.731 208 HA TYR 25 HA TYR 25 -4.459 -9.590 -4.610 209 HB2 TYR 25 HB2 TYR 25 -3.561 -10.379 -2.321 210 HB3 TYR 25 HB1 TYR 25 -4.183 -11.599 -3.430 211 HD1 TYR 25 HD1 TYR 25 -1.012 -10.065 -2.218 212 HD2 TYR 25 HD2 TYR 25 -2.877 -13.414 -4.054 213 HE1 TYR 25 HE1 TYR 25 1.079 -11.341 -2.023 214 HE2 TYR 25 HE2 TYR 25 -0.784 -14.686 -3.878 215 HH TYR 25 HH TYR 25 1.579 -14.323 -3.623 216 H ALA 26 HN ALA 26 -1.979 -8.365 -5.862 217 HA ALA 26 HA ALA 26 -1.367 -6.468 -3.688 218 HB1 ALA 26 HB1 ALA 26 0.632 -7.716 -4.371 219 HB2 ALA 26 HB2 ALA 26 0.767 -6.011 -4.803 220 HB3 ALA 26 HB3 ALA 26 0.376 -7.201 -6.040 221 H TRP 27 HN TRP 27 -2.870 -6.830 -6.710 222 HA TRP 27 HA TRP 27 -2.230 -4.464 -7.992 223 HB2 TRP 27 HB2 TRP 27 -4.373 -4.687 -9.228 224 HB3 TRP 27 HB1 TRP 27 -3.398 -6.145 -9.215 225 HD1 TRP 27 HD1 TRP 27 -4.412 -8.286 -8.041 226 HE1 TRP 27 HE1 TRP 27 -6.781 -8.883 -7.246 227 HE3 TRP 27 HE3 TRP 27 -6.518 -3.612 -8.134 228 HZ2 TRP 27 HZ2 TRP 27 -9.218 -7.566 -6.737 229 HZ3 TRP 27 HZ3 TRP 27 -8.879 -3.379 -7.486 230 HH2 TRP 27 HH2 TRP 27 -10.198 -5.314 -6.798 231 HA PRO 28 HA PRO 28 -6.048 -2.396 -5.555 232 HB2 PRO 28 HB2 PRO 28 -5.389 -2.865 -2.835 233 HB3 PRO 28 HB1 PRO 28 -6.864 -3.352 -3.669 234 HG2 PRO 28 HG2 PRO 28 -4.489 -4.930 -2.958 235 HG3 PRO 28 HG1 PRO 28 -6.134 -5.475 -3.333 236 HD2 PRO 28 HD2 PRO 28 -3.998 -5.830 -5.005 237 HD3 PRO 28 HD1 PRO 28 -5.672 -5.719 -5.569 238 H PHE 29 HN PHE 29 -2.709 -2.910 -4.696 239 HA PHE 29 HA PHE 29 -2.565 -0.182 -3.579 240 HB2 PHE 29 HB2 PHE 29 -0.356 -2.156 -3.197 241 HB3 PHE 29 HB1 PHE 29 -0.889 -0.848 -2.141 242 HD1 PHE 29 HD1 PHE 29 -0.891 -4.324 -2.666 243 HD2 PHE 29 HD2 PHE 29 -3.277 -1.167 -1.088 244 HE1 PHE 29 HE1 PHE 29 -2.160 -5.948 -1.339 245 HE2 PHE 29 HE2 PHE 29 -4.548 -2.795 0.244 246 HZ PHE 29 HZ PHE 29 -3.990 -5.186 0.113 247 H TYR 30 HN TYR 30 -1.712 -2.005 -6.284 248 HA TYR 30 HA TYR 30 0.738 -0.980 -7.068 249 HB2 TYR 30 HB2 TYR 30 -1.673 -1.885 -8.600 250 HB3 TYR 30 HB1 TYR 30 -0.326 -1.151 -9.461 251 HD1 TYR 30 HD1 TYR 30 0.470 -2.998 -6.492 252 HD2 TYR 30 HD2 TYR 30 -0.102 -3.354 -10.681 253 HE1 TYR 30 HE1 TYR 30 1.663 -5.133 -6.458 254 HE2 TYR 30 HE2 TYR 30 1.088 -5.505 -10.663 255 HH TYR 30 HH TYR 30 2.053 -7.031 -7.655 256 H LYS 31 HN LYS 31 -2.463 0.399 -7.804 257 HA LYS 31 HA LYS 31 -1.191 3.016 -8.078 258 HB2 LYS 31 HB2 LYS 31 -3.029 1.660 -10.032 259 HB3 LYS 31 HB1 LYS 31 -2.871 3.411 -9.987 260 HG2 LYS 31 HG2 LYS 31 -0.461 3.184 -10.404 261 HG3 LYS 31 HG1 LYS 31 -0.664 1.438 -10.509 262 HD2 LYS 31 HD2 LYS 31 -2.255 1.782 -12.375 263 HD3 LYS 31 HD1 LYS 31 -1.919 3.511 -12.294 264 HE2 LYS 31 HE2 LYS 31 0.068 1.331 -12.908 265 HE3 LYS 31 HE1 LYS 31 -0.629 2.461 -14.064 266 HZ1 LYS 31 HZ1 LYS 31 1.518 3.240 -13.464 267 HZ2 LYS 31 HZ2 LYS 31 1.192 3.097 -11.815 268 HZ3 LYS 31 HZ3 LYS 31 0.396 4.273 -12.732 269 HA PRO 32 HA PRO 32 -4.306 4.668 -5.497 270 HB2 PRO 32 HB2 PRO 32 -5.209 6.801 -7.066 271 HB3 PRO 32 HB1 PRO 32 -3.848 6.853 -5.945 272 HG2 PRO 32 HG2 PRO 32 -3.857 6.457 -8.899 273 HG3 PRO 32 HG1 PRO 32 -2.712 7.358 -7.887 274 HD2 PRO 32 HD2 PRO 32 -2.081 4.957 -8.857 275 HD3 PRO 32 HD1 PRO 32 -1.604 5.425 -7.212 276 H VAL 33 HN VAL 33 -6.400 4.313 -5.087 277 HA VAL 33 HA VAL 33 -7.985 2.816 -6.840 278 HB VAL 33 HB VAL 33 -9.550 2.687 -5.187 279 HG11 VAL 33 HG11 VAL 33 -7.501 2.116 -4.110 280 HG12 VAL 33 HG12 VAL 33 -8.552 2.931 -2.957 281 HG13 VAL 33 HG13 VAL 33 -7.203 3.798 -3.686 282 HG21 VAL 33 HG21 VAL 33 -10.729 4.558 -4.897 283 HG22 VAL 33 HG22 VAL 33 -9.301 5.595 -5.047 284 HG23 VAL 33 HG23 VAL 33 -9.667 4.819 -3.506 285 H ASP 34 HN ASP 34 -9.823 3.345 -8.035 286 HA ASP 34 HA ASP 34 -9.786 6.069 -9.095 287 HB2 ASP 34 HB2 ASP 34 -11.275 3.597 -10.044 288 HB3 ASP 34 HB1 ASP 34 -11.379 5.175 -10.809 289 H ALA 35 HN ALA 35 -10.579 6.766 -6.964 290 HA ALA 35 HA ALA 35 -12.836 5.813 -5.705 291 HB1 ALA 35 HB1 ALA 35 -12.465 7.409 -4.171 292 HB2 ALA 35 HB2 ALA 35 -12.329 8.692 -5.379 293 HB3 ALA 35 HB3 ALA 35 -10.962 7.618 -5.074 294 H SER 36 HN SER 36 -12.656 8.403 -8.127 295 HA SER 36 HA SER 36 -15.341 9.235 -7.873 296 HB2 SER 36 HB2 SER 36 -13.525 9.400 -10.291 297 HB3 SER 36 HB1 SER 36 -14.999 10.334 -10.039 298 HG SER 36 HG SER 36 -13.830 10.972 -7.972 299 H ALA 37 HN ALA 37 -13.792 6.821 -9.945 300 HA ALA 37 HA ALA 37 -16.210 6.130 -11.326 301 HB1 ALA 37 HB1 ALA 37 -13.552 4.714 -11.129 302 HB2 ALA 37 HB2 ALA 37 -14.062 5.824 -12.403 303 HB3 ALA 37 HB3 ALA 37 -14.863 4.264 -12.221 304 H LEU 38 HN LEU 38 -14.637 5.206 -8.421 305 HA LEU 38 HA LEU 38 -16.050 2.727 -8.043 306 HB2 LEU 38 HB2 LEU 38 -14.248 4.397 -6.307 307 HB3 LEU 38 HB1 LEU 38 -15.021 2.939 -5.719 308 HG LEU 38 HG LEU 38 -13.295 2.882 -8.176 309 HD11 LEU 38 HD11 LEU 38 -12.402 2.727 -5.300 310 HD12 LEU 38 HD12 LEU 38 -11.845 3.836 -6.550 311 HD13 LEU 38 HD13 LEU 38 -11.457 2.121 -6.657 312 HD21 LEU 38 HD21 LEU 38 -14.005 0.815 -6.107 313 HD22 LEU 38 HD22 LEU 38 -13.035 0.551 -7.555 314 HD23 LEU 38 HD23 LEU 38 -14.741 0.966 -7.702 315 H GLY 39 HN GLY 39 -16.936 5.914 -7.814 316 HA2 GLY 39 HA2 GLY 39 -18.946 6.819 -7.091 317 HA3 GLY 39 HA1 GLY 39 -19.347 5.267 -6.370 318 H LEU 40 HN LEU 40 -16.304 6.192 -5.446 319 HA LEU 40 HA LEU 40 -17.200 6.708 -2.760 320 HB2 LEU 40 HB2 LEU 40 -14.362 6.728 -3.751 321 HB3 LEU 40 HB1 LEU 40 -14.941 6.398 -2.134 322 HG LEU 40 HG LEU 40 -15.105 4.621 -4.548 323 HD11 LEU 40 HD11 LEU 40 -13.092 4.170 -3.617 324 HD12 LEU 40 HD12 LEU 40 -14.095 3.068 -2.684 325 HD13 LEU 40 HD13 LEU 40 -13.605 4.613 -1.995 326 HD21 LEU 40 HD21 LEU 40 -16.504 4.273 -1.916 327 HD22 LEU 40 HD22 LEU 40 -16.318 3.009 -3.121 328 HD23 LEU 40 HD23 LEU 40 -17.253 4.456 -3.493 329 H HIS 41 HN HIS 41 -18.120 8.718 -2.775 330 HA HIS 41 HA HIS 41 -17.011 10.880 -4.283 331 HB2 HIS 41 HB2 HIS 41 -19.280 10.860 -2.283 332 HB3 HIS 41 HB1 HIS 41 -18.869 12.209 -3.332 333 HD1 HIS 41 HD1 HIS 41 -19.169 11.789 -5.944 334 HD2 HIS 41 HD2 HIS 41 -20.959 8.935 -3.480 335 HE1 HIS 41 HE1 HIS 41 -20.794 10.547 -7.400 336 HE2 HIS 41 HE2 HIS 41 -21.736 8.735 -5.932 337 H ASP 42 HN ASP 42 -16.238 9.719 -1.216 338 HA ASP 42 HA ASP 42 -15.030 12.304 -0.539 339 HB2 ASP 42 HB2 ASP 42 -16.649 10.693 1.471 340 HB3 ASP 42 HB1 ASP 42 -15.676 12.108 1.837 341 H TYR 43 HN TYR 43 -13.702 10.213 -1.658 342 HA TYR 43 HA TYR 43 -12.570 8.424 0.224 343 HB2 TYR 43 HB2 TYR 43 -12.552 7.869 -2.119 344 HB3 TYR 43 HB1 TYR 43 -11.648 9.316 -2.521 345 HD1 TYR 43 HD1 TYR 43 -11.451 5.978 -1.030 346 HD2 TYR 43 HD2 TYR 43 -9.251 9.393 -2.249 347 HE1 TYR 43 HE1 TYR 43 -9.381 4.685 -0.856 348 HE2 TYR 43 HE2 TYR 43 -7.165 8.111 -2.073 349 HH TYR 43 HH TYR 43 -6.338 6.085 -0.813 350 H HIS 44 HN HIS 44 -11.635 11.609 -0.951 351 HA HIS 44 HA HIS 44 -9.071 11.511 0.374 352 HB2 HIS 44 HB2 HIS 44 -10.506 13.667 -1.164 353 HB3 HIS 44 HB1 HIS 44 -8.975 13.957 -0.347 354 HD1 HIS 44 HD1 HIS 44 -6.869 12.766 -1.319 355 HD2 HIS 44 HD2 HIS 44 -10.343 12.234 -3.542 356 HE1 HIS 44 HE1 HIS 44 -6.119 11.861 -3.545 357 HE2 HIS 44 HE2 HIS 44 -8.243 11.436 -4.830 358 H ASP 45 HN ASP 45 -12.119 11.938 1.493 359 HA ASP 45 HA ASP 45 -11.398 13.915 3.514 360 HB2 ASP 45 HB2 ASP 45 -13.988 12.537 2.826 361 HB3 ASP 45 HB1 ASP 45 -13.804 13.516 4.277 362 H ILE 46 HN ILE 46 -12.250 10.516 3.216 363 HA ILE 46 HA ILE 46 -11.969 9.996 6.025 364 HB ILE 46 HB ILE 46 -12.393 8.266 3.608 365 HG12 ILE 46 HG12 ILE 46 -14.382 7.546 4.953 366 HG13 ILE 46 HG11 ILE 46 -13.965 8.774 6.141 367 HG21 ILE 46 HG21 ILE 46 -11.112 6.703 4.644 368 HG22 ILE 46 HG22 ILE 46 -12.624 6.415 5.505 369 HG23 ILE 46 HG23 ILE 46 -11.363 7.401 6.243 370 HD11 ILE 46 HD11 ILE 46 -14.693 9.274 3.260 371 HD12 ILE 46 HD12 ILE 46 -14.274 10.506 4.451 372 HD13 ILE 46 HD13 ILE 46 -15.730 9.535 4.663 373 H ILE 47 HN ILE 47 -10.003 9.499 3.128 374 HA ILE 47 HA ILE 47 -7.872 8.283 4.675 375 HB ILE 47 HB ILE 47 -7.913 9.039 1.756 376 HG12 ILE 47 HG12 ILE 47 -9.663 7.369 2.461 377 HG13 ILE 47 HG11 ILE 47 -8.520 6.783 1.258 378 HG21 ILE 47 HG21 ILE 47 -6.125 7.186 1.747 379 HG22 ILE 47 HG22 ILE 47 -6.006 7.513 3.472 380 HG23 ILE 47 HG23 ILE 47 -5.679 8.794 2.307 381 HD11 ILE 47 HD11 ILE 47 -8.503 6.186 4.205 382 HD12 ILE 47 HD12 ILE 47 -7.281 5.655 3.048 383 HD13 ILE 47 HD13 ILE 47 -8.933 5.087 2.894 384 H LYS 48 HN LYS 48 -6.347 9.446 5.666 385 HA LYS 48 HA LYS 48 -6.027 12.255 4.980 386 HB2 LYS 48 HB2 LYS 48 -5.066 10.596 7.302 387 HB3 LYS 48 HB1 LYS 48 -4.576 12.266 7.054 388 HG2 LYS 48 HG2 LYS 48 -7.434 11.370 7.299 389 HG3 LYS 48 HG1 LYS 48 -6.462 11.990 8.637 390 HD2 LYS 48 HD2 LYS 48 -6.311 14.126 7.683 391 HD3 LYS 48 HD1 LYS 48 -6.809 13.544 6.096 392 HE2 LYS 48 HE2 LYS 48 -9.018 13.147 6.870 393 HE3 LYS 48 HE1 LYS 48 -8.579 13.592 8.521 394 HZ1 LYS 48 HZ1 LYS 48 -9.695 15.408 7.408 395 HZ2 LYS 48 HZ2 LYS 48 -8.564 15.384 6.151 396 HZ3 LYS 48 HZ3 LYS 48 -8.084 15.832 7.710 397 H HIS 49 HN HIS 49 -4.233 9.257 4.858 398 HA HIS 49 HA HIS 49 -2.107 10.699 3.417 399 HB2 HIS 49 HB2 HIS 49 -1.896 8.680 5.573 400 HB3 HIS 49 HB1 HIS 49 -0.762 8.529 4.235 401 HD1 HIS 49 HD1 HIS 49 1.036 10.354 3.982 402 HD2 HIS 49 HD2 HIS 49 -1.499 10.911 7.229 403 HE1 HIS 49 HE1 HIS 49 2.125 12.121 5.396 404 HE2 HIS 49 HE2 HIS 49 0.650 12.335 7.423 405 HA PRO 50 HA PRO 50 -3.967 7.464 0.597 406 HB2 PRO 50 HB2 PRO 50 -4.070 9.112 -1.577 407 HB3 PRO 50 HB1 PRO 50 -5.402 8.931 -0.429 408 HG2 PRO 50 HG2 PRO 50 -3.308 11.067 -0.584 409 HG3 PRO 50 HG1 PRO 50 -5.053 11.220 -0.297 410 HD2 PRO 50 HD2 PRO 50 -3.270 11.338 1.723 411 HD3 PRO 50 HD1 PRO 50 -4.874 10.597 1.932 412 H MET 51 HN MET 51 -2.218 6.222 0.315 413 HA MET 51 HA MET 51 -0.141 7.226 -1.483 414 HB2 MET 51 HB2 MET 51 0.834 7.403 0.709 415 HB3 MET 51 HB1 MET 51 0.302 5.787 1.153 416 HG2 MET 51 HG2 MET 51 2.730 5.948 0.650 417 HG3 MET 51 HG1 MET 51 1.874 4.800 -0.385 418 HE1 MET 51 HE1 MET 51 3.086 8.453 -0.087 419 HE2 MET 51 HE2 MET 51 1.578 8.739 -0.948 420 HE3 MET 51 HE3 MET 51 3.123 9.022 -1.752 421 H ASP 52 HN ASP 52 0.893 5.640 -2.729 422 HA ASP 52 HA ASP 52 -0.290 2.962 -2.724 423 HB2 ASP 52 HB2 ASP 52 -0.005 4.560 -5.282 424 HB3 ASP 52 HB1 ASP 52 -0.834 3.015 -5.063 425 H LEU 53 HN LEU 53 1.098 1.383 -3.888 426 HA LEU 53 HA LEU 53 3.776 1.745 -3.170 427 HB2 LEU 53 HB2 LEU 53 2.403 -0.247 -4.920 428 HB3 LEU 53 HB1 LEU 53 4.145 -0.268 -4.724 429 HG LEU 53 HG LEU 53 2.221 -0.399 -2.413 430 HD11 LEU 53 HD11 LEU 53 2.030 -2.294 -4.016 431 HD12 LEU 53 HD12 LEU 53 2.504 -2.753 -2.386 432 HD13 LEU 53 HD13 LEU 53 3.709 -2.684 -3.674 433 HD21 LEU 53 HD21 LEU 53 4.386 0.385 -1.780 434 HD22 LEU 53 HD22 LEU 53 5.172 -0.923 -2.658 435 HD23 LEU 53 HD23 LEU 53 4.201 -1.276 -1.229 436 H SER 54 HN SER 54 2.232 2.171 -6.317 437 HA SER 54 HA SER 54 4.555 2.632 -7.831 438 HB2 SER 54 HB2 SER 54 3.013 3.899 -9.360 439 HB3 SER 54 HB1 SER 54 2.422 2.291 -8.941 440 HG SER 54 HG SER 54 0.826 3.130 -7.836 441 H THR 55 HN THR 55 2.663 4.772 -5.769 442 HA THR 55 HA THR 55 4.026 7.167 -6.537 443 HB THR 55 HB THR 55 2.526 6.882 -3.956 444 HG1 THR 55 HG1 THR 55 0.592 7.064 -5.105 445 HG21 THR 55 HG21 THR 55 3.668 8.993 -4.627 446 HG22 THR 55 HG22 THR 55 1.929 9.163 -4.384 447 HG23 THR 55 HG23 THR 55 2.589 9.080 -6.018 448 H VAL 56 HN VAL 56 4.285 4.811 -3.926 449 HA VAL 56 HA VAL 56 6.211 6.125 -2.361 450 HB VAL 56 HB VAL 56 5.883 3.146 -2.824 451 HG11 VAL 56 HG11 VAL 56 8.100 3.754 -1.937 452 HG12 VAL 56 HG12 VAL 56 7.137 2.842 -0.772 453 HG13 VAL 56 HG13 VAL 56 7.316 4.588 -0.595 454 HG21 VAL 56 HG21 VAL 56 3.903 4.337 -1.891 455 HG22 VAL 56 HG22 VAL 56 4.903 4.832 -0.527 456 HG23 VAL 56 HG23 VAL 56 4.583 3.121 -0.812 457 H LYS 57 HN LYS 57 6.512 3.874 -5.063 458 HA LYS 57 HA LYS 57 9.324 3.857 -5.171 459 HB2 LYS 57 HB2 LYS 57 7.266 2.525 -6.418 460 HB3 LYS 57 HB1 LYS 57 7.945 3.487 -7.720 461 HG2 LYS 57 HG2 LYS 57 10.068 2.492 -7.471 462 HG3 LYS 57 HG1 LYS 57 9.631 1.752 -5.957 463 HD2 LYS 57 HD2 LYS 57 8.075 0.298 -7.045 464 HD3 LYS 57 HD1 LYS 57 8.339 1.092 -8.584 465 HE2 LYS 57 HE2 LYS 57 10.780 0.412 -8.330 466 HE3 LYS 57 HE1 LYS 57 10.244 -0.595 -6.984 467 HZ1 LYS 57 HZ1 LYS 57 8.825 -1.817 -8.480 468 HZ2 LYS 57 HZ2 LYS 57 10.405 -1.824 -9.078 469 HZ3 LYS 57 HZ3 LYS 57 9.247 -0.811 -9.769 470 H ARG 58 HN ARG 58 6.850 5.772 -6.784 471 HA ARG 58 HA ARG 58 8.387 7.284 -8.519 472 HB2 ARG 58 HB2 ARG 58 5.937 7.376 -8.399 473 HB3 ARG 58 HB1 ARG 58 6.037 8.192 -6.846 474 HG2 ARG 58 HG2 ARG 58 7.341 10.006 -8.021 475 HG3 ARG 58 HG1 ARG 58 6.865 9.249 -9.533 476 HD2 ARG 58 HD2 ARG 58 4.512 9.541 -8.919 477 HD3 ARG 58 HD1 ARG 58 5.015 10.309 -7.413 478 HE ARG 58 HE ARG 58 6.083 11.550 -9.782 479 HH11 ARG 58 HH11 ARG 58 3.414 11.496 -7.511 480 HH12 ARG 58 HH12 ARG 58 2.896 13.104 -7.895 481 HH21 ARG 58 HH21 ARG 58 5.397 13.660 -10.285 482 HH22 ARG 58 HH22 ARG 58 4.018 14.331 -9.472 483 H LYS 59 HN LYS 59 7.518 8.056 -5.167 484 HA LYS 59 HA LYS 59 9.088 10.419 -5.077 485 HB2 LYS 59 HB2 LYS 59 7.862 8.749 -2.875 486 HB3 LYS 59 HB1 LYS 59 8.624 10.316 -2.624 487 HG2 LYS 59 HG2 LYS 59 6.962 11.451 -3.814 488 HG3 LYS 59 HG1 LYS 59 6.364 9.970 -4.558 489 HD2 LYS 59 HD2 LYS 59 4.864 10.839 -2.788 490 HD3 LYS 59 HD1 LYS 59 5.453 9.212 -2.459 491 HE2 LYS 59 HE2 LYS 59 7.152 11.316 -1.339 492 HE3 LYS 59 HE1 LYS 59 5.503 11.326 -0.702 493 HZ1 LYS 59 HZ1 LYS 59 5.724 9.069 -0.006 494 HZ2 LYS 59 HZ2 LYS 59 7.071 9.917 0.570 495 HZ3 LYS 59 HZ3 LYS 59 7.221 8.906 -0.776 496 H MET 60 HN MET 60 9.683 7.062 -4.258 497 HA MET 60 HA MET 60 12.208 7.408 -3.037 498 HB2 MET 60 HB2 MET 60 11.005 5.273 -2.922 499 HB3 MET 60 HB1 MET 60 11.169 5.071 -4.663 500 HG2 MET 60 HG2 MET 60 13.710 5.221 -4.187 501 HG3 MET 60 HG1 MET 60 13.244 4.861 -2.529 502 HE1 MET 60 HE1 MET 60 11.757 2.828 -1.885 503 HE2 MET 60 HE2 MET 60 11.370 1.472 -2.943 504 HE3 MET 60 HE3 MET 60 10.607 3.042 -3.203 505 H GLU 61 HN GLU 61 11.210 7.032 -6.424 506 HA GLU 61 HA GLU 61 13.837 6.919 -7.494 507 HB2 GLU 61 HB2 GLU 61 11.183 7.682 -8.702 508 HB3 GLU 61 HB1 GLU 61 12.667 7.663 -9.638 509 HG2 GLU 61 HG2 GLU 61 12.929 5.253 -8.939 510 HG3 GLU 61 HG1 GLU 61 11.287 5.352 -8.307 511 H ASN 62 HN ASN 62 11.725 9.537 -6.602 512 HA ASN 62 HA ASN 62 13.412 11.576 -7.764 513 HB2 ASN 62 HB2 ASN 62 10.989 11.671 -5.967 514 HB3 ASN 62 HB1 ASN 62 11.911 13.117 -6.358 515 HD21 ASN 62 HD21 ASN 62 11.419 10.490 -8.626 516 HD22 ASN 62 HD22 ASN 62 10.377 11.358 -9.699 517 H ARG 63 HN ARG 63 13.642 9.575 -5.233 518 HA ARG 63 HA ARG 63 14.950 9.361 -3.427 519 HB2 ARG 63 HB2 ARG 63 16.490 11.700 -4.545 520 HB3 ARG 63 HB1 ARG 63 17.092 10.446 -3.470 521 HG2 ARG 63 HG2 ARG 63 16.082 9.945 -6.256 522 HG3 ARG 63 HG1 ARG 63 17.779 10.172 -5.828 523 HD2 ARG 63 HD2 ARG 63 17.913 8.152 -4.729 524 HD3 ARG 63 HD1 ARG 63 16.181 8.081 -4.419 525 HE ARG 63 HE ARG 63 15.837 7.284 -6.587 526 HH11 ARG 63 HH11 ARG 63 19.218 7.997 -6.059 527 HH12 ARG 63 HH12 ARG 63 19.758 6.985 -7.362 528 HH21 ARG 63 HH21 ARG 63 16.558 5.970 -8.315 529 HH22 ARG 63 HH22 ARG 63 18.260 5.837 -8.635 530 H ASP 64 HN ASP 64 12.633 10.987 -3.189 531 HA ASP 64 HA ASP 64 13.126 13.109 -1.361 532 HB2 ASP 64 HB2 ASP 64 10.752 11.381 -1.982 533 HB3 ASP 64 HB1 ASP 64 10.715 12.442 -0.578 534 H TYR 65 HN TYR 65 13.287 9.720 -1.105 535 HA TYR 65 HA TYR 65 12.812 9.608 1.754 536 HB2 TYR 65 HB2 TYR 65 13.649 7.465 -0.216 537 HB3 TYR 65 HB1 TYR 65 13.281 7.184 1.481 538 HD1 TYR 65 HD1 TYR 65 11.526 5.598 1.043 539 HD2 TYR 65 HD2 TYR 65 11.330 9.512 -0.595 540 HE1 TYR 65 HE1 TYR 65 9.167 5.235 0.447 541 HE2 TYR 65 HE2 TYR 65 8.985 9.158 -1.179 542 HH TYR 65 HH TYR 65 7.131 6.623 0.018 543 H ARG 66 HN ARG 66 14.343 9.383 3.298 544 HA ARG 66 HA ARG 66 17.142 9.547 2.436 545 HB2 ARG 66 HB2 ARG 66 16.438 11.281 3.968 546 HB3 ARG 66 HB1 ARG 66 15.787 10.091 5.084 547 HG2 ARG 66 HG2 ARG 66 18.099 9.244 5.442 548 HG3 ARG 66 HG1 ARG 66 18.688 10.574 4.434 549 HD2 ARG 66 HD2 ARG 66 18.866 11.210 6.739 550 HD3 ARG 66 HD1 ARG 66 17.584 12.158 5.988 551 HE ARG 66 HE ARG 66 16.766 9.727 7.369 552 HH11 ARG 66 HH11 ARG 66 17.134 13.205 7.449 553 HH12 ARG 66 HH12 ARG 66 16.052 13.426 8.784 554 HH21 ARG 66 HH21 ARG 66 15.336 10.012 9.147 555 HH22 ARG 66 HH22 ARG 66 15.044 11.606 9.763 556 H ASP 67 HN ASP 67 14.863 7.516 4.141 557 HA ASP 67 HA ASP 67 16.932 5.491 4.531 558 HB2 ASP 67 HB2 ASP 67 15.107 6.522 6.723 559 HB3 ASP 67 HB1 ASP 67 16.088 5.066 6.850 560 H ALA 68 HN ALA 68 15.987 3.363 4.980 561 HA ALA 68 HA ALA 68 13.724 2.857 3.327 562 HB1 ALA 68 HB1 ALA 68 15.080 1.011 5.288 563 HB2 ALA 68 HB2 ALA 68 15.533 1.219 3.596 564 HB3 ALA 68 HB3 ALA 68 13.962 0.535 4.010 565 H GLN 69 HN GLN 69 14.143 3.704 6.588 566 HA GLN 69 HA GLN 69 11.731 2.597 7.608 567 HB2 GLN 69 HB2 GLN 69 13.644 3.284 9.045 568 HB3 GLN 69 HB1 GLN 69 13.271 4.962 8.672 569 HG2 GLN 69 HG2 GLN 69 12.306 4.457 10.785 570 HG3 GLN 69 HG1 GLN 69 11.007 4.589 9.599 571 HE21 GLN 69 HE21 GLN 69 12.841 2.394 11.588 572 HE22 GLN 69 HE22 GLN 69 11.730 1.073 11.475 573 H GLU 70 HN GLU 70 12.625 5.625 6.049 574 HA GLU 70 HA GLU 70 10.113 6.892 6.369 575 HB2 GLU 70 HB2 GLU 70 12.314 7.270 4.344 576 HB3 GLU 70 HB1 GLU 70 10.815 8.192 4.299 577 HG2 GLU 70 HG2 GLU 70 11.368 8.828 6.717 578 HG3 GLU 70 HG1 GLU 70 12.993 8.248 6.342 579 H PHE 71 HN PHE 71 11.463 4.670 4.036 580 HA PHE 71 HA PHE 71 9.248 4.613 2.291 581 HB2 PHE 71 HB2 PHE 71 11.104 3.589 1.364 582 HB3 PHE 71 HB1 PHE 71 11.536 2.762 2.853 583 HD1 PHE 71 HD1 PHE 71 9.404 2.710 -0.105 584 HD2 PHE 71 HD2 PHE 71 10.546 0.618 3.405 585 HE1 PHE 71 HE1 PHE 71 8.305 0.681 -0.963 586 HE2 PHE 71 HE2 PHE 71 9.437 -1.402 2.569 587 HZ PHE 71 HZ PHE 71 8.327 -1.385 0.376 588 H ALA 72 HN ALA 72 10.158 2.461 4.991 589 HA ALA 72 HA ALA 72 7.896 0.872 5.019 590 HB1 ALA 72 HB1 ALA 72 9.750 1.712 7.234 591 HB2 ALA 72 HB2 ALA 72 9.761 0.208 6.311 592 HB3 ALA 72 HB3 ALA 72 8.459 0.529 7.457 593 H ALA 73 HN ALA 73 8.491 3.991 6.496 594 HA ALA 73 HA ALA 73 6.184 4.334 7.972 595 HB1 ALA 73 HB1 ALA 73 7.964 6.246 6.509 596 HB2 ALA 73 HB2 ALA 73 7.852 5.939 8.245 597 HB3 ALA 73 HB3 ALA 73 6.557 6.804 7.419 598 H ASP 74 HN ASP 74 6.785 5.016 4.559 599 HA ASP 74 HA ASP 74 4.197 6.179 4.141 600 HB2 ASP 74 HB2 ASP 74 6.602 6.453 2.917 601 HB3 ASP 74 HB1 ASP 74 5.807 5.349 1.801 602 H VAL 75 HN VAL 75 5.746 3.094 3.289 603 HA VAL 75 HA VAL 75 3.582 2.155 1.706 604 HB VAL 75 HB VAL 75 5.716 1.165 1.332 605 HG11 VAL 75 HG11 VAL 75 6.775 1.410 3.450 606 HG12 VAL 75 HG12 VAL 75 6.793 -0.301 3.025 607 HG13 VAL 75 HG13 VAL 75 5.631 0.301 4.206 608 HG21 VAL 75 HG21 VAL 75 5.245 -1.278 1.663 609 HG22 VAL 75 HG22 VAL 75 3.977 -0.360 0.839 610 HG23 VAL 75 HG23 VAL 75 3.787 -0.794 2.538 611 H ARG 76 HN ARG 76 4.423 1.643 5.137 612 HA ARG 76 HA ARG 76 2.236 -0.157 5.539 613 HB2 ARG 76 HB2 ARG 76 2.959 -0.396 7.686 614 HB3 ARG 76 HB1 ARG 76 4.425 0.282 6.999 615 HG2 ARG 76 HG2 ARG 76 3.757 2.496 7.791 616 HG3 ARG 76 HG1 ARG 76 2.301 1.806 8.490 617 HD2 ARG 76 HD2 ARG 76 3.620 0.458 10.009 618 HD3 ARG 76 HD1 ARG 76 5.117 1.034 9.281 619 HE ARG 76 HE ARG 76 3.505 3.181 10.227 620 HH11 ARG 76 HH11 ARG 76 5.725 0.690 11.278 621 HH12 ARG 76 HH12 ARG 76 6.282 1.594 12.647 622 HH21 ARG 76 HH21 ARG 76 4.231 4.367 12.036 623 HH22 ARG 76 HH22 ARG 76 5.432 3.678 13.083 624 H LEU 77 HN LEU 77 2.651 3.306 5.682 625 HA LEU 77 HA LEU 77 0.218 3.985 6.924 626 HB2 LEU 77 HB2 LEU 77 2.350 5.320 5.617 627 HB3 LEU 77 HB1 LEU 77 0.865 5.854 4.858 628 HG LEU 77 HG LEU 77 1.542 6.046 7.789 629 HD11 LEU 77 HD11 LEU 77 1.322 8.045 5.578 630 HD12 LEU 77 HD12 LEU 77 2.730 7.680 6.573 631 HD13 LEU 77 HD13 LEU 77 1.330 8.487 7.283 632 HD21 LEU 77 HD21 LEU 77 -0.983 6.565 6.268 633 HD22 LEU 77 HD22 LEU 77 -0.617 7.445 7.752 634 HD23 LEU 77 HD23 LEU 77 -0.762 5.688 7.783 635 H MET 78 HN MET 78 1.038 3.070 3.648 636 HA MET 78 HA MET 78 -1.432 3.694 2.450 637 HB2 MET 78 HB2 MET 78 0.425 3.273 1.023 638 HB3 MET 78 HB1 MET 78 0.710 1.694 1.745 639 HG2 MET 78 HG2 MET 78 -1.949 2.013 0.561 640 HG3 MET 78 HG1 MET 78 -0.611 2.136 -0.590 641 HE1 MET 78 HE1 MET 78 1.606 0.182 0.571 642 HE2 MET 78 HE2 MET 78 1.073 0.320 -1.101 643 HE3 MET 78 HE3 MET 78 1.157 -1.265 -0.334 644 H PHE 79 HN PHE 79 -0.211 0.579 3.716 645 HA PHE 79 HA PHE 79 -2.636 -0.810 3.467 646 HB2 PHE 79 HB2 PHE 79 -0.434 -1.219 5.508 647 HB3 PHE 79 HB1 PHE 79 -1.729 -2.366 5.173 648 HD1 PHE 79 HD1 PHE 79 -1.944 -2.801 2.474 649 HD2 PHE 79 HD2 PHE 79 1.583 -1.759 4.611 650 HE1 PHE 79 HE1 PHE 79 -0.572 -3.801 0.692 651 HE2 PHE 79 HE2 PHE 79 2.955 -2.752 2.837 652 HZ PHE 79 HZ PHE 79 1.890 -3.767 0.868 653 H SER 80 HN SER 80 -1.469 1.354 5.965 654 HA SER 80 HA SER 80 -3.388 0.792 7.932 655 HB2 SER 80 HB2 SER 80 -1.285 2.073 8.311 656 HB3 SER 80 HB1 SER 80 -1.987 3.427 7.426 657 HG SER 80 HG SER 80 -2.695 2.366 9.935 658 H ASN 81 HN ASN 81 -3.380 3.277 5.342 659 HA ASN 81 HA ASN 81 -5.903 4.332 6.124 660 HB2 ASN 81 HB2 ASN 81 -5.872 5.681 4.167 661 HB3 ASN 81 HB1 ASN 81 -4.219 5.588 4.745 662 HD21 ASN 81 HD21 ASN 81 -2.686 4.932 3.389 663 HD22 ASN 81 HD22 ASN 81 -2.970 4.314 1.800 664 H CYS 82 HN CYS 82 -4.995 1.621 4.161 665 HA CYS 82 HA CYS 82 -7.443 1.255 2.803 666 HB2 CYS 82 HB2 CYS 82 -5.512 -0.896 3.735 667 HB3 CYS 82 HB1 CYS 82 -6.760 -1.080 2.510 668 HG CYS 82 HG CYS 82 -4.143 1.095 2.163 669 H TYR 83 HN TYR 83 -6.271 -0.037 5.932 670 HA TYR 83 HA TYR 83 -8.725 -1.328 6.570 671 HB2 TYR 83 HB2 TYR 83 -6.621 -0.273 8.474 672 HB3 TYR 83 HB1 TYR 83 -7.923 -1.388 8.885 673 HD1 TYR 83 HD1 TYR 83 -7.793 -3.286 6.619 674 HD2 TYR 83 HD2 TYR 83 -4.651 -1.474 8.866 675 HE1 TYR 83 HE1 TYR 83 -6.337 -5.207 6.138 676 HE2 TYR 83 HE2 TYR 83 -3.207 -3.393 8.389 677 HH TYR 83 HH TYR 83 -3.438 -5.763 7.785 678 H LYS 84 HN LYS 84 -7.651 1.926 6.687 679 HA LYS 84 HA LYS 84 -9.433 2.813 8.736 680 HB2 LYS 84 HB2 LYS 84 -7.206 3.854 7.494 681 HB3 LYS 84 HB1 LYS 84 -8.497 4.853 6.843 682 HG2 LYS 84 HG2 LYS 84 -7.841 4.424 9.759 683 HG3 LYS 84 HG1 LYS 84 -7.538 5.882 8.815 684 HD2 LYS 84 HD2 LYS 84 -10.288 4.737 9.268 685 HD3 LYS 84 HD1 LYS 84 -9.560 5.957 10.313 686 HE2 LYS 84 HE2 LYS 84 -9.896 6.305 7.343 687 HE3 LYS 84 HE1 LYS 84 -11.098 6.830 8.517 688 HZ1 LYS 84 HZ1 LYS 84 -8.275 7.743 8.468 689 HZ2 LYS 84 HZ2 LYS 84 -9.492 8.305 9.495 690 HZ3 LYS 84 HZ3 LYS 84 -9.578 8.613 7.834 691 H TYR 85 HN TYR 85 -9.523 2.622 5.233 692 HA TYR 85 HA TYR 85 -12.126 3.931 5.186 693 HB2 TYR 85 HB2 TYR 85 -10.495 4.491 3.453 694 HB3 TYR 85 HB1 TYR 85 -10.487 2.822 2.892 695 HD1 TYR 85 HD1 TYR 85 -12.416 5.928 3.128 696 HD2 TYR 85 HD2 TYR 85 -12.378 1.989 1.539 697 HE1 TYR 85 HE1 TYR 85 -14.336 6.489 1.703 698 HE2 TYR 85 HE2 TYR 85 -14.284 2.532 0.105 699 HH TYR 85 HH TYR 85 -16.200 4.219 0.168 700 H ASN 86 HN ASN 86 -10.738 0.760 4.268 701 HA ASN 86 HA ASN 86 -13.351 -0.265 3.591 702 HB2 ASN 86 HB2 ASN 86 -10.792 -1.855 3.852 703 HB3 ASN 86 HB1 ASN 86 -12.233 -2.282 2.926 704 HD21 ASN 86 HD21 ASN 86 -12.509 0.457 1.911 705 HD22 ASN 86 HD22 ASN 86 -11.273 0.648 0.719 706 HA PRO 87 HA PRO 87 -14.302 -1.722 7.705 707 HB2 PRO 87 HB2 PRO 87 -16.267 -3.488 6.890 708 HB3 PRO 87 HB1 PRO 87 -16.523 -1.774 7.211 709 HG2 PRO 87 HG2 PRO 87 -16.185 -3.187 4.617 710 HG3 PRO 87 HG1 PRO 87 -17.203 -1.791 5.022 711 HD2 PRO 87 HD2 PRO 87 -14.864 -1.572 3.668 712 HD3 PRO 87 HD1 PRO 87 -15.483 -0.298 4.737 713 HA PRO 88 HA PRO 88 -11.910 -5.141 8.633 714 HB2 PRO 88 HB2 PRO 88 -13.693 -6.818 9.992 715 HB3 PRO 88 HB1 PRO 88 -12.729 -5.518 10.694 716 HG2 PRO 88 HG2 PRO 88 -15.575 -5.498 9.799 717 HG3 PRO 88 HG1 PRO 88 -14.826 -4.697 11.195 718 HD2 PRO 88 HD2 PRO 88 -15.467 -3.302 9.025 719 HD3 PRO 88 HD1 PRO 88 -13.946 -2.977 9.885 720 H ASP 89 HN ASP 89 -14.896 -5.959 7.024 721 HA ASP 89 HA ASP 89 -13.606 -8.412 6.033 722 HB2 ASP 89 HB2 ASP 89 -15.551 -8.979 7.409 723 HB3 ASP 89 HB1 ASP 89 -16.577 -7.932 6.431 724 H HIS 90 HN HIS 90 -12.684 -7.501 4.258 725 HA HIS 90 HA HIS 90 -14.406 -7.284 1.975 726 HB2 HIS 90 HB2 HIS 90 -14.158 -4.892 3.150 727 HB3 HIS 90 HB1 HIS 90 -12.615 -4.903 2.322 728 HD1 HIS 90 HD1 HIS 90 -12.691 -5.068 -0.331 729 HD2 HIS 90 HD2 HIS 90 -16.351 -4.245 1.458 730 HE1 HIS 90 HE1 HIS 90 -14.167 -4.206 -2.161 731 HE2 HIS 90 HE2 HIS 90 -16.425 -3.963 -1.091 732 H ASP 91 HN ASP 91 -13.132 -7.386 -0.021 733 HA ASP 91 HA ASP 91 -10.960 -9.082 0.110 734 HB2 ASP 91 HB2 ASP 91 -11.849 -7.199 -2.060 735 HB3 ASP 91 HB1 ASP 91 -10.448 -8.240 -2.260 736 H VAL 92 HN VAL 92 -10.888 -5.542 -0.074 737 HA VAL 92 HA VAL 92 -8.147 -5.363 -0.701 738 HB VAL 92 HB VAL 92 -9.119 -3.016 0.688 739 HG11 VAL 92 HG11 VAL 92 -7.207 -3.235 -0.917 740 HG12 VAL 92 HG12 VAL 92 -8.309 -1.896 -1.217 741 HG13 VAL 92 HG13 VAL 92 -8.403 -3.356 -2.201 742 HG21 VAL 92 HG21 VAL 92 -11.299 -3.752 -0.004 743 HG22 VAL 92 HG22 VAL 92 -10.726 -4.050 -1.641 744 HG23 VAL 92 HG23 VAL 92 -10.802 -2.402 -1.016 745 H VAL 93 HN VAL 93 -9.823 -5.642 2.354 746 HA VAL 93 HA VAL 93 -7.498 -4.822 3.852 747 HB VAL 93 HB VAL 93 -8.721 -5.327 5.859 748 HG11 VAL 93 HG11 VAL 93 -10.660 -4.142 3.887 749 HG12 VAL 93 HG12 VAL 93 -9.294 -3.270 4.592 750 HG13 VAL 93 HG13 VAL 93 -10.596 -3.855 5.629 751 HG21 VAL 93 HG21 VAL 93 -10.839 -6.576 4.124 752 HG22 VAL 93 HG22 VAL 93 -10.925 -6.347 5.871 753 HG23 VAL 93 HG23 VAL 93 -9.729 -7.447 5.183 754 H ALA 94 HN ALA 94 -9.020 -7.821 2.867 755 HA ALA 94 HA ALA 94 -7.320 -9.560 4.330 756 HB1 ALA 94 HB1 ALA 94 -8.858 -10.076 1.783 757 HB2 ALA 94 HB2 ALA 94 -9.460 -10.310 3.425 758 HB3 ALA 94 HB3 ALA 94 -8.137 -11.307 2.819 759 H MET 95 HN MET 95 -7.201 -8.197 1.070 760 HA MET 95 HA MET 95 -4.772 -9.467 0.330 761 HB2 MET 95 HB2 MET 95 -6.061 -6.930 -0.704 762 HB3 MET 95 HB1 MET 95 -4.650 -7.688 -1.429 763 HG2 MET 95 HG2 MET 95 -6.069 -9.753 -1.751 764 HG3 MET 95 HG1 MET 95 -7.452 -8.781 -1.264 765 HE1 MET 95 HE1 MET 95 -8.012 -6.455 -2.448 766 HE2 MET 95 HE2 MET 95 -8.970 -7.730 -3.191 767 HE3 MET 95 HE3 MET 95 -8.187 -6.522 -4.199 768 H ALA 96 HN ALA 96 -5.562 -6.518 2.058 769 HA ALA 96 HA ALA 96 -2.988 -5.354 2.050 770 HB1 ALA 96 HB1 ALA 96 -4.870 -4.008 2.650 771 HB2 ALA 96 HB2 ALA 96 -3.791 -4.096 4.041 772 HB3 ALA 96 HB3 ALA 96 -5.261 -5.069 4.003 773 H ARG 97 HN ARG 97 -4.624 -7.492 4.365 774 HA ARG 97 HA ARG 97 -2.625 -7.597 6.313 775 HB2 ARG 97 HB2 ARG 97 -4.656 -9.685 5.513 776 HB3 ARG 97 HB1 ARG 97 -3.668 -9.779 6.962 777 HG2 ARG 97 HG2 ARG 97 -4.707 -7.815 7.865 778 HG3 ARG 97 HG1 ARG 97 -5.597 -7.551 6.364 779 HD2 ARG 97 HD2 ARG 97 -6.737 -9.712 6.700 780 HD3 ARG 97 HD1 ARG 97 -5.893 -9.897 8.235 781 HE ARG 97 HE ARG 97 -7.079 -7.841 8.959 782 HH11 ARG 97 HH11 ARG 97 -8.386 -9.782 6.354 783 HH12 ARG 97 HH12 ARG 97 -10.014 -9.244 6.595 784 HH21 ARG 97 HH21 ARG 97 -9.241 -7.144 9.297 785 HH22 ARG 97 HH22 ARG 97 -10.507 -7.749 8.271 786 H LYS 98 HN LYS 98 -3.153 -9.669 3.492 787 HA LYS 98 HA LYS 98 -1.049 -11.475 4.121 788 HB2 LYS 98 HB2 LYS 98 -3.031 -12.011 2.721 789 HB3 LYS 98 HB1 LYS 98 -2.386 -10.981 1.456 790 HG2 LYS 98 HG2 LYS 98 -0.430 -12.455 1.274 791 HG3 LYS 98 HG1 LYS 98 -1.097 -13.476 2.544 792 HD2 LYS 98 HD2 LYS 98 -3.046 -13.943 1.153 793 HD3 LYS 98 HD1 LYS 98 -2.395 -12.905 -0.116 794 HE2 LYS 98 HE2 LYS 98 -0.539 -14.349 -0.447 795 HE3 LYS 98 HE1 LYS 98 -0.963 -15.321 0.961 796 HZ1 LYS 98 HZ1 LYS 98 -1.604 -16.363 -1.157 797 HZ2 LYS 98 HZ2 LYS 98 -2.640 -15.067 -1.480 798 HZ3 LYS 98 HZ3 LYS 98 -2.938 -16.074 -0.157 799 H LEU 99 HN LEU 99 -1.281 -8.743 1.862 800 HA LEU 99 HA LEU 99 1.395 -8.860 0.975 801 HB2 LEU 99 HB2 LEU 99 -0.769 -6.850 0.879 802 HB3 LEU 99 HB1 LEU 99 0.859 -6.250 0.717 803 HG LEU 99 HG LEU 99 -0.809 -7.627 -1.235 804 HD11 LEU 99 HD11 LEU 99 1.792 -6.206 -1.583 805 HD12 LEU 99 HD12 LEU 99 0.280 -5.345 -1.303 806 HD13 LEU 99 HD13 LEU 99 0.470 -6.356 -2.735 807 HD21 LEU 99 HD21 LEU 99 2.095 -8.399 -1.134 808 HD22 LEU 99 HD22 LEU 99 0.876 -8.932 -2.289 809 HD23 LEU 99 HD23 LEU 99 0.793 -9.474 -0.615 810 H GLN 100 HN GLN 100 -0.094 -7.344 3.781 811 HA GLN 100 HA GLN 100 2.191 -5.865 4.532 812 HB2 GLN 100 HB2 GLN 100 -0.096 -5.469 5.461 813 HB3 GLN 100 HB1 GLN 100 0.006 -6.996 6.321 814 HG2 GLN 100 HG2 GLN 100 1.908 -6.091 7.624 815 HG3 GLN 100 HG1 GLN 100 1.711 -4.543 6.806 816 HE21 GLN 100 HE21 GLN 100 -0.940 -6.610 7.764 817 HE22 GLN 100 HE22 GLN 100 -1.552 -5.561 8.992 818 H ASP 101 HN ASP 101 1.256 -9.181 4.863 819 HA ASP 101 HA ASP 101 3.108 -9.981 6.843 820 HB2 ASP 101 HB2 ASP 101 1.253 -11.407 6.346 821 HB3 ASP 101 HB1 ASP 101 1.696 -11.497 4.646 822 H VAL 102 HN VAL 102 3.286 -10.090 3.266 823 HA VAL 102 HA VAL 102 5.920 -11.115 3.198 824 HB VAL 102 HB VAL 102 4.876 -11.370 1.151 825 HG11 VAL 102 HG11 VAL 102 3.829 -9.492 -0.103 826 HG12 VAL 102 HG12 VAL 102 3.968 -8.532 1.368 827 HG13 VAL 102 HG13 VAL 102 2.990 -10.000 1.358 828 HG21 VAL 102 HG21 VAL 102 6.082 -8.941 0.101 829 HG22 VAL 102 HG22 VAL 102 6.445 -10.635 -0.257 830 HG23 VAL 102 HG23 VAL 102 7.162 -9.860 1.157 831 H PHE 103 HN PHE 103 4.799 -7.772 2.704 832 HA PHE 103 HA PHE 103 7.237 -6.471 2.597 833 HB2 PHE 103 HB2 PHE 103 5.467 -5.085 2.135 834 HB3 PHE 103 HB1 PHE 103 4.506 -5.652 3.498 835 HD1 PHE 103 HD1 PHE 103 7.777 -3.940 2.932 836 HD2 PHE 103 HD2 PHE 103 4.167 -4.078 5.213 837 HE1 PHE 103 HE1 PHE 103 8.522 -1.997 4.236 838 HE2 PHE 103 HE2 PHE 103 4.918 -2.137 6.509 839 HZ PHE 103 HZ PHE 103 7.095 -1.093 6.027 840 H GLU 104 HN GLU 104 5.514 -7.526 5.552 841 HA GLU 104 HA GLU 104 7.214 -6.002 7.260 842 HB2 GLU 104 HB2 GLU 104 5.985 -6.778 9.040 843 HB3 GLU 104 HB1 GLU 104 4.829 -6.957 7.733 844 HG2 GLU 104 HG2 GLU 104 5.367 -9.351 7.594 845 HG3 GLU 104 HG1 GLU 104 6.518 -9.151 8.911 846 H PHE 105 HN PHE 105 7.264 -9.341 6.126 847 HA PHE 105 HA PHE 105 9.502 -9.998 7.819 848 HB2 PHE 105 HB2 PHE 105 7.907 -11.478 5.779 849 HB3 PHE 105 HB1 PHE 105 9.501 -12.087 6.218 850 HD1 PHE 105 HD1 PHE 105 6.059 -11.666 7.266 851 HD2 PHE 105 HD2 PHE 105 9.976 -12.750 8.535 852 HE1 PHE 105 HE1 PHE 105 5.112 -12.715 9.279 853 HE2 PHE 105 HE2 PHE 105 9.034 -13.804 10.547 854 HZ PHE 105 HZ PHE 105 6.601 -13.788 10.923 855 H ARG 106 HN ARG 106 9.005 -8.890 4.560 856 HA ARG 106 HA ARG 106 11.631 -9.310 3.616 857 HB2 ARG 106 HB2 ARG 106 9.495 -7.300 2.901 858 HB3 ARG 106 HB1 ARG 106 11.040 -7.363 2.073 859 HG2 ARG 106 HG2 ARG 106 9.137 -9.683 2.232 860 HG3 ARG 106 HG1 ARG 106 9.169 -8.516 0.906 861 HD2 ARG 106 HD2 ARG 106 11.438 -9.134 0.368 862 HD3 ARG 106 HD1 ARG 106 11.515 -10.205 1.765 863 HE ARG 106 HE ARG 106 9.590 -11.408 0.567 864 HH11 ARG 106 HH11 ARG 106 12.242 -9.794 -1.065 865 HH12 ARG 106 HH12 ARG 106 12.187 -10.833 -2.450 866 HH21 ARG 106 HH21 ARG 106 9.516 -12.775 -1.253 867 HH22 ARG 106 HH22 ARG 106 10.638 -12.536 -2.554 868 H TYR 107 HN TYR 107 10.054 -6.570 5.235 869 HA TYR 107 HA TYR 107 12.439 -5.009 5.397 870 HB2 TYR 107 HB2 TYR 107 10.098 -4.077 5.503 871 HB3 TYR 107 HB1 TYR 107 9.971 -4.724 7.139 872 HD1 TYR 107 HD1 TYR 107 11.444 -2.105 5.047 873 HD2 TYR 107 HD2 TYR 107 11.260 -3.731 8.972 874 HE1 TYR 107 HE1 TYR 107 12.478 -0.070 5.936 875 HE2 TYR 107 HE2 TYR 107 12.291 -1.686 9.869 876 HH TYR 107 HH TYR 107 13.651 0.162 9.140 877 H ALA 108 HN ALA 108 11.039 -7.523 7.349 878 HA ALA 108 HA ALA 108 12.552 -7.073 9.706 879 HB1 ALA 108 HB1 ALA 108 10.512 -8.481 9.608 880 HB2 ALA 108 HB2 ALA 108 11.883 -9.285 10.372 881 HB3 ALA 108 HB3 ALA 108 11.435 -9.691 8.716 882 H LYS 109 HN LYS 109 13.082 -8.970 6.787 883 HA LYS 109 HA LYS 109 15.560 -10.095 7.644 884 HB2 LYS 109 HB2 LYS 109 13.824 -10.446 5.481 885 HB3 LYS 109 HB1 LYS 109 15.291 -9.799 4.769 886 HG2 LYS 109 HG2 LYS 109 15.425 -12.172 4.705 887 HG3 LYS 109 HG1 LYS 109 16.581 -11.587 5.903 888 HD2 LYS 109 HD2 LYS 109 15.434 -13.525 6.775 889 HD3 LYS 109 HD1 LYS 109 14.932 -12.102 7.681 890 HE2 LYS 109 HE2 LYS 109 12.869 -11.985 6.396 891 HE3 LYS 109 HE1 LYS 109 13.377 -13.369 5.432 892 HZ1 LYS 109 HZ1 LYS 109 13.375 -14.708 7.463 893 HZ2 LYS 109 HZ2 LYS 109 11.848 -14.062 7.137 894 HZ3 LYS 109 HZ3 LYS 109 12.814 -13.379 8.348 895 H MET 110 HN MET 110 14.549 -7.122 6.254 896 HA MET 110 HA MET 110 17.057 -6.238 5.258 897 HB2 MET 110 HB2 MET 110 15.071 -5.212 4.405 898 HB3 MET 110 HB1 MET 110 14.523 -4.780 6.016 899 HG2 MET 110 HG2 MET 110 17.094 -3.661 5.023 900 HG3 MET 110 HG1 MET 110 15.578 -2.995 4.422 901 HE1 MET 110 HE1 MET 110 16.126 -0.631 5.316 902 HE2 MET 110 HE2 MET 110 17.692 -1.197 5.907 903 HE3 MET 110 HE3 MET 110 16.629 -0.271 6.969 904 HA PRO 111 HA PRO 111 18.628 -4.990 9.280 905 HB2 PRO 111 HB2 PRO 111 21.213 -5.101 8.655 906 HB3 PRO 111 HB1 PRO 111 20.263 -6.577 8.853 907 HG2 PRO 111 HG2 PRO 111 21.239 -5.275 6.371 908 HG3 PRO 111 HG1 PRO 111 20.970 -6.990 6.714 909 HD2 PRO 111 HD2 PRO 111 19.232 -5.215 5.334 910 HD3 PRO 111 HD1 PRO 111 18.889 -6.893 5.833 911 H ASP 112 HN ASP 112 19.774 -3.124 10.062 912 HA ASP 112 HA ASP 112 19.910 -0.923 8.123 913 HB2 ASP 112 HB2 ASP 112 19.560 -0.982 11.111 914 HB3 ASP 112 HB1 ASP 112 20.115 0.475 10.298 915 H1 HIS 281 HT1 HIS 281 -20.191 10.024 7.556 916 H2 HIS 281 HT2 HIS 281 -21.250 8.958 8.324 917 H3 HIS 281 HT3 HIS 281 -20.046 8.359 7.301 918 HA HIS 281 HA HIS 281 -18.335 9.144 8.787 919 HB2 HIS 281 HB2 HIS 281 -20.696 10.051 10.427 920 HB3 HIS 281 HB1 HIS 281 -19.095 9.829 11.114 921 HD1 HIS 281 HD1 HIS 281 -17.166 11.369 9.913 922 HD2 HIS 281 HD2 HIS 281 -21.129 12.518 9.403 923 HE1 HIS 281 HE1 HIS 281 -17.087 13.770 9.179 924 HE2 HIS 281 HE2 HIS 281 -19.497 14.490 9.062 925 H ASN 282 HN ASN 282 -21.219 7.993 10.564 926 HA ASN 282 HA ASN 282 -19.893 5.758 11.660 927 HB2 ASN 282 HB2 ASN 282 -22.824 6.382 11.292 928 HB3 ASN 282 HB1 ASN 282 -22.268 4.899 12.060 929 HD21 ASN 282 HD21 ASN 282 -23.820 7.107 13.157 930 HD22 ASN 282 HD22 ASN 282 -22.922 7.692 14.514 931 H LEU 283 HN LEU 283 -22.247 5.954 8.989 932 HA LEU 283 HA LEU 283 -21.311 3.371 8.026 933 HB2 LEU 283 HB2 LEU 283 -23.068 3.734 6.237 934 HB3 LEU 283 HB1 LEU 283 -23.648 3.526 7.873 935 HG LEU 283 HG LEU 283 -23.801 6.083 7.966 936 HD11 LEU 283 HD11 LEU 283 -23.623 5.730 4.978 937 HD12 LEU 283 HD12 LEU 283 -22.465 6.589 5.994 938 HD13 LEU 283 HD13 LEU 283 -24.109 7.204 5.815 939 HD21 LEU 283 HD21 LEU 283 -25.991 6.063 6.857 940 HD22 LEU 283 HD22 LEU 283 -25.743 4.649 7.881 941 HD23 LEU 283 HD23 LEU 283 -25.592 4.507 6.131 942 H LEU 284 HN LEU 284 -20.671 3.167 5.726 943 HA LEU 284 HA LEU 284 -19.540 5.536 4.511 944 HB2 LEU 284 HB2 LEU 284 -17.854 4.993 6.182 945 HB3 LEU 284 HB1 LEU 284 -17.799 3.336 5.621 946 HG LEU 284 HG LEU 284 -16.888 4.132 3.453 947 HD11 LEU 284 HD11 LEU 284 -17.749 6.370 3.398 948 HD12 LEU 284 HD12 LEU 284 -15.989 6.434 3.362 949 HD13 LEU 284 HD13 LEU 284 -16.855 6.795 4.854 950 HD21 LEU 284 HD21 LEU 284 -15.336 4.964 5.897 951 HD22 LEU 284 HD22 LEU 284 -14.658 4.655 4.300 952 HD23 LEU 284 HD23 LEU 284 -15.403 3.342 5.209 953 H ARG 285 HN ARG 285 -19.376 5.313 2.365 954 HA ARG 285 HA ARG 285 -20.476 3.147 0.972 955 HB2 ARG 285 HB2 ARG 285 -18.464 5.170 -0.038 956 HB3 ARG 285 HB1 ARG 285 -19.537 4.196 -1.030 957 HG2 ARG 285 HG2 ARG 285 -21.414 5.434 -0.424 958 HG3 ARG 285 HG1 ARG 285 -20.619 6.116 0.999 959 HD2 ARG 285 HD2 ARG 285 -19.077 7.333 -0.469 960 HD3 ARG 285 HD1 ARG 285 -19.920 6.693 -1.876 961 HE ARG 285 HE ARG 285 -21.905 7.944 -1.051 962 HH11 ARG 285 HH11 ARG 285 -18.731 8.886 0.071 963 HH12 ARG 285 HH12 ARG 285 -19.135 10.572 0.248 964 HH21 ARG 285 HH21 ARG 285 -22.452 10.163 -0.828 965 HH22 ARG 285 HH22 ARG 285 -21.259 11.286 -0.253 966 H ILE 286 HN ILE 286 -19.628 1.139 0.664 967 HA ILE 286 HA ILE 286 -16.857 0.672 1.279 968 HB ILE 286 HB ILE 286 -17.275 -1.681 0.790 969 HG12 ILE 286 HG12 ILE 286 -20.044 -0.781 -0.044 970 HG13 ILE 286 HG11 ILE 286 -18.807 -1.448 -1.101 971 HG21 ILE 286 HG21 ILE 286 -17.825 -0.848 2.994 972 HG22 ILE 286 HG22 ILE 286 -18.969 -2.104 2.518 973 HG23 ILE 286 HG23 ILE 286 -19.443 -0.406 2.449 974 HD11 ILE 286 HD11 ILE 286 -20.154 -2.903 1.152 975 HD12 ILE 286 HD12 ILE 286 -18.926 -3.569 0.078 976 HD13 ILE 286 HD13 ILE 286 -20.500 -3.098 -0.564 977 HH31 ALY 287 HH1 ALY 287 -6.771 1.565 -1.305 978 HH32 ALY 287 HH2 ALY 287 -6.809 2.672 0.074 979 HH33 ALY 287 HH3 ALY 287 -6.919 0.932 0.340 980 HZ ALY 287 HZ1 ALY 287 -8.730 1.016 -2.245 981 HE3 ALY 287 HE2 ALY 287 -11.010 2.398 -2.098 982 HE2 ALY 287 HE1 ALY 287 -11.234 1.198 -0.829 983 HD3 ALY 287 HD2 ALY 287 -10.965 -0.598 -2.414 984 HD2 ALY 287 HD1 ALY 287 -10.588 0.552 -3.699 985 HG3 ALY 287 HG2 ALY 287 -12.906 -0.261 -3.818 986 HG2 ALY 287 HG1 ALY 287 -12.816 1.482 -3.570 987 HB3 ALY 287 HB2 ALY 287 -13.183 1.128 -1.162 988 HB2 ALY 287 HB1 ALY 287 -13.345 -0.597 -1.460 989 HCA ALY 287 HA ALY 287 -15.136 1.517 -2.634 990 H ALY 287 HN ALY 287 -15.211 0.589 -0.053 991 H GLN 288 HN GLN 288 -15.769 0.735 -4.565 992 HA GLN 288 HA GLN 288 -17.057 -1.817 -4.684 993 HB2 GLN 288 HB2 GLN 288 -16.549 0.261 -6.810 994 HB3 GLN 288 HB1 GLN 288 -17.467 -1.213 -7.080 995 HG2 GLN 288 HG2 GLN 288 -19.013 -0.494 -5.262 996 HG3 GLN 288 HG1 GLN 288 -18.149 1.042 -5.213 997 HE21 GLN 288 HE21 GLN 288 -17.719 1.002 -8.125 998 HE22 GLN 288 HE22 GLN 288 -19.238 1.443 -8.819 999 H PHE 289 HN PHE 289 -14.840 -2.729 -4.028 1000 HA PHE 289 HA PHE 289 -13.460 -3.672 -6.448 1001 HB2 PHE 289 HB2 PHE 289 -12.736 -3.652 -3.529 1002 HB3 PHE 289 HB1 PHE 289 -11.981 -4.814 -4.609 1003 HD1 PHE 289 HD1 PHE 289 -12.763 -1.705 -6.198 1004 HD2 PHE 289 HD2 PHE 289 -9.883 -3.682 -3.768 1005 HE1 PHE 289 HE1 PHE 289 -11.074 -0.034 -6.842 1006 HE2 PHE 289 HE2 PHE 289 -8.197 -2.011 -4.397 1007 HZ PHE 289 HZ PHE 289 -8.788 -0.185 -5.940 1008 H LEU 290 HN LEU 290 -16.149 -4.361 -5.768 1009 HA LEU 290 HA LEU 290 -16.097 -6.999 -4.579 1010 HB2 LEU 290 HB2 LEU 290 -18.391 -5.435 -5.765 1011 HB3 LEU 290 HB1 LEU 290 -18.532 -6.920 -4.848 1012 HG LEU 290 HG LEU 290 -17.462 -4.326 -3.735 1013 HD11 LEU 290 HD11 LEU 290 -19.595 -4.187 -2.543 1014 HD12 LEU 290 HD12 LEU 290 -20.174 -5.604 -3.419 1015 HD13 LEU 290 HD13 LEU 290 -19.819 -4.113 -4.290 1016 HD21 LEU 290 HD21 LEU 290 -18.220 -6.926 -2.412 1017 HD22 LEU 290 HD22 LEU 290 -17.740 -5.450 -1.577 1018 HD23 LEU 290 HD23 LEU 290 -16.587 -6.293 -2.610 1019 H GLN 291 HN GLN 291 -15.007 -8.285 -6.028 1020 HA GLN 291 HA GLN 291 -15.813 -8.419 -8.788 1021 HB2 GLN 291 HB2 GLN 291 -13.485 -8.884 -8.084 1022 HB3 GLN 291 HB1 GLN 291 -14.049 -10.289 -7.189 1023 HG2 GLN 291 HG2 GLN 291 -14.790 -11.326 -9.254 1024 HG3 GLN 291 HG1 GLN 291 -14.279 -9.908 -10.165 1025 HE21 GLN 291 HE21 GLN 291 -13.439 -12.720 -10.325 1026 HE22 GLN 291 HE22 GLN 291 -11.723 -12.703 -10.124 1027 H SER 292 HN SER 292 -18.002 -8.877 -8.698 1028 HA SER 292 HA SER 292 -18.815 -11.354 -7.382 1029 HB2 SER 292 HB2 SER 292 -21.152 -10.441 -7.939 1030 HB3 SER 292 HB1 SER 292 -20.212 -9.565 -6.731 1031 HG SER 292 HG SER 292 -20.010 -8.816 -9.430 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 23.942 10.383 -1.844 2 H2 GLY 1 HT2 GLY 1 24.533 8.819 -2.101 3 H3 GLY 1 HT3 GLY 1 22.888 9.063 -1.805 4 HA2 GLY 1 HA1 GLY 1 22.629 10.244 -3.872 5 HA3 GLY 1 HA2 GLY 1 24.352 10.076 -4.173 6 H LYS 2 HN LYS 2 21.852 9.113 -5.571 7 HA LYS 2 HA LYS 2 21.252 7.355 -6.866 8 HB2 LYS 2 HB2 LYS 2 23.762 7.499 -7.303 9 HB3 LYS 2 HB1 LYS 2 23.914 6.098 -6.258 10 HG2 LYS 2 HG2 LYS 2 23.871 5.328 -8.504 11 HG3 LYS 2 HG1 LYS 2 22.324 4.906 -7.770 12 HD2 LYS 2 HD2 LYS 2 21.651 5.763 -9.802 13 HD3 LYS 2 HD1 LYS 2 21.543 7.182 -8.769 14 HE2 LYS 2 HE2 LYS 2 23.889 6.515 -10.541 15 HE3 LYS 2 HE1 LYS 2 22.604 7.643 -10.956 16 HZ1 LYS 2 HZ1 LYS 2 23.247 8.953 -8.979 17 HZ2 LYS 2 HZ2 LYS 2 24.471 8.854 -10.137 18 HZ3 LYS 2 HZ3 LYS 2 24.560 7.914 -8.738 19 H LEU 3 HN LEU 3 20.504 7.306 -4.151 20 HA LEU 3 HA LEU 3 19.310 5.961 -2.772 21 HB2 LEU 3 HB2 LEU 3 20.045 3.840 -4.781 22 HB3 LEU 3 HB1 LEU 3 19.102 3.496 -3.341 23 HG LEU 3 HG LEU 3 18.263 5.477 -5.461 24 HD11 LEU 3 HD11 LEU 3 17.406 2.613 -5.044 25 HD12 LEU 3 HD12 LEU 3 18.367 3.224 -6.392 26 HD13 LEU 3 HD13 LEU 3 16.695 3.749 -6.192 27 HD21 LEU 3 HD21 LEU 3 17.332 5.787 -3.158 28 HD22 LEU 3 HD22 LEU 3 16.659 4.159 -3.275 29 HD23 LEU 3 HD23 LEU 3 16.122 5.416 -4.387 30 H SER 4 HN SER 4 20.001 5.569 -0.816 31 HA SER 4 HA SER 4 22.595 4.488 -0.266 32 HB2 SER 4 HB2 SER 4 21.722 6.138 1.271 33 HB3 SER 4 HB1 SER 4 20.252 5.197 1.524 34 HG SER 4 HG SER 4 21.749 4.968 3.239 35 H GLU 5 HN GLU 5 22.670 2.573 1.417 36 HA GLU 5 HA GLU 5 21.846 0.265 0.087 37 HB2 GLU 5 HB2 GLU 5 22.497 0.572 3.025 38 HB3 GLU 5 HB1 GLU 5 22.384 -0.959 2.172 39 HG2 GLU 5 HG2 GLU 5 24.666 -0.516 2.310 40 HG3 GLU 5 HG1 GLU 5 24.226 -0.077 0.662 41 H GLN 6 HN GLN 6 20.423 1.845 2.911 42 HA GLN 6 HA GLN 6 18.299 0.091 3.387 43 HB2 GLN 6 HB2 GLN 6 18.559 3.073 3.833 44 HB3 GLN 6 HB1 GLN 6 17.164 2.149 4.369 45 HG2 GLN 6 HG2 GLN 6 18.930 2.653 6.097 46 HG3 GLN 6 HG1 GLN 6 18.412 0.974 5.968 47 HE21 GLN 6 HE21 GLN 6 19.868 -0.568 5.307 48 HE22 GLN 6 HE22 GLN 6 21.557 -0.253 5.133 49 H LEU 7 HN LEU 7 18.601 2.807 1.156 50 HA LEU 7 HA LEU 7 15.833 2.717 0.397 51 HB2 LEU 7 HB2 LEU 7 18.172 4.250 -0.717 52 HB3 LEU 7 HB1 LEU 7 16.529 4.418 -1.309 53 HG LEU 7 HG LEU 7 17.400 4.989 1.518 54 HD11 LEU 7 HD11 LEU 7 18.362 6.561 -0.100 55 HD12 LEU 7 HD12 LEU 7 17.158 7.333 0.928 56 HD13 LEU 7 HD13 LEU 7 16.750 6.891 -0.729 57 HD21 LEU 7 HD21 LEU 7 15.130 4.444 1.620 58 HD22 LEU 7 HD22 LEU 7 14.785 5.220 0.074 59 HD23 LEU 7 HD23 LEU 7 15.150 6.203 1.491 60 H LYS 8 HN LYS 8 18.820 1.360 -0.773 61 HA LYS 8 HA LYS 8 17.784 0.499 -3.279 62 HB2 LYS 8 HB2 LYS 8 20.195 0.608 -2.860 63 HB3 LYS 8 HB1 LYS 8 20.038 -0.606 -1.605 64 HG2 LYS 8 HG2 LYS 8 20.931 -1.568 -3.652 65 HG3 LYS 8 HG1 LYS 8 19.355 -2.257 -3.262 66 HD2 LYS 8 HD2 LYS 8 19.566 -1.764 -5.655 67 HD3 LYS 8 HD1 LYS 8 18.290 -0.808 -4.901 68 HE2 LYS 8 HE2 LYS 8 19.640 0.526 -6.451 69 HE3 LYS 8 HE1 LYS 8 19.770 1.119 -4.799 70 HZ1 LYS 8 HZ1 LYS 8 21.894 -0.020 -4.598 71 HZ2 LYS 8 HZ2 LYS 8 21.920 1.068 -5.890 72 HZ3 LYS 8 HZ3 LYS 8 21.765 -0.589 -6.185 73 H HIS 9 HN HIS 9 17.919 -0.836 -0.039 74 HA HIS 9 HA HIS 9 16.782 -3.344 -0.739 75 HB2 HIS 9 HB2 HIS 9 18.051 -2.546 1.448 76 HB3 HIS 9 HB1 HIS 9 16.416 -2.201 1.996 77 HD1 HIS 9 HD1 HIS 9 18.827 -4.796 2.060 78 HD2 HIS 9 HD2 HIS 9 14.707 -4.688 1.567 79 HE1 HIS 9 HE1 HIS 9 18.023 -7.112 2.600 80 HE2 HIS 9 HE2 HIS 9 15.549 -7.066 2.133 81 H CYS 10 HN CYS 10 15.455 -0.212 0.246 82 HA CYS 10 HA CYS 10 12.788 -1.166 0.485 83 HB2 CYS 10 HB2 CYS 10 12.084 1.085 0.683 84 HB3 CYS 10 HB1 CYS 10 13.661 1.008 1.472 85 HG CYS 10 HG CYS 10 14.339 1.852 -1.547 86 H ASN 11 HN ASN 11 14.759 -0.087 -2.173 87 HA ASN 11 HA ASN 11 12.674 0.183 -4.080 88 HB2 ASN 11 HB2 ASN 11 14.990 1.076 -4.390 89 HB3 ASN 11 HB1 ASN 11 15.570 -0.577 -4.553 90 HD21 ASN 11 HD21 ASN 11 16.329 -0.215 -6.626 91 HD22 ASN 11 HD22 ASN 11 15.273 -0.044 -7.983 92 H GLY 12 HN GLY 12 14.691 -2.486 -2.994 93 HA2 GLY 12 HA2 GLY 12 13.771 -4.363 -4.941 94 HA3 GLY 12 HA1 GLY 12 14.663 -4.737 -3.472 95 H ILE 13 HN ILE 13 12.905 -3.742 -1.555 96 HA ILE 13 HA ILE 13 11.042 -5.823 -1.274 97 HB ILE 13 HB ILE 13 11.086 -3.118 0.064 98 HG12 ILE 13 HG12 ILE 13 12.032 -5.802 1.079 99 HG13 ILE 13 HG11 ILE 13 13.102 -4.578 0.421 100 HG21 ILE 13 HG21 ILE 13 8.941 -4.760 0.032 101 HG22 ILE 13 HG22 ILE 13 9.347 -3.706 1.384 102 HG23 ILE 13 HG23 ILE 13 9.813 -5.406 1.419 103 HD11 ILE 13 HD11 ILE 13 11.446 -4.453 2.919 104 HD12 ILE 13 HD12 ILE 13 12.277 -3.056 2.237 105 HD13 ILE 13 HD13 ILE 13 13.202 -4.453 2.789 106 H LEU 14 HN LEU 14 10.617 -2.446 -2.282 107 HA LEU 14 HA LEU 14 7.869 -2.460 -2.714 108 HB2 LEU 14 HB2 LEU 14 9.857 -0.629 -2.935 109 HB3 LEU 14 HB1 LEU 14 9.542 -0.956 -4.626 110 HG LEU 14 HG LEU 14 7.368 -0.195 -2.706 111 HD11 LEU 14 HD11 LEU 14 9.258 1.506 -4.289 112 HD12 LEU 14 HD12 LEU 14 8.820 1.633 -2.583 113 HD13 LEU 14 HD13 LEU 14 7.654 2.081 -3.829 114 HD21 LEU 14 HD21 LEU 14 6.801 -1.276 -4.916 115 HD22 LEU 14 HD22 LEU 14 7.538 0.130 -5.692 116 HD23 LEU 14 HD23 LEU 14 6.124 0.337 -4.662 117 H LYS 15 HN LYS 15 10.543 -3.279 -4.866 118 HA LYS 15 HA LYS 15 9.165 -3.814 -7.196 119 HB2 LYS 15 HB2 LYS 15 11.393 -3.788 -7.570 120 HB3 LYS 15 HB1 LYS 15 11.769 -4.460 -5.994 121 HG2 LYS 15 HG2 LYS 15 12.466 -6.115 -7.384 122 HG3 LYS 15 HG1 LYS 15 10.841 -6.638 -6.999 123 HD2 LYS 15 HD2 LYS 15 10.010 -5.786 -9.096 124 HD3 LYS 15 HD1 LYS 15 11.598 -5.114 -9.482 125 HE2 LYS 15 HE2 LYS 15 11.549 -7.120 -10.674 126 HE3 LYS 15 HE1 LYS 15 12.454 -7.500 -9.211 127 HZ1 LYS 15 HZ1 LYS 15 10.471 -8.477 -8.261 128 HZ2 LYS 15 HZ2 LYS 15 10.859 -9.224 -9.726 129 HZ3 LYS 15 HZ3 LYS 15 9.587 -8.112 -9.655 130 H GLU 16 HN GLU 16 9.696 -5.751 -4.362 131 HA GLU 16 HA GLU 16 8.849 -8.241 -5.421 132 HB2 GLU 16 HB2 GLU 16 10.157 -8.147 -3.366 133 HB3 GLU 16 HB1 GLU 16 8.864 -7.266 -2.559 134 HG2 GLU 16 HG2 GLU 16 8.672 -9.481 -1.806 135 HG3 GLU 16 HG1 GLU 16 7.401 -9.284 -3.002 136 H LEU 17 HN LEU 17 7.173 -5.721 -3.575 137 HA LEU 17 HA LEU 17 4.676 -7.107 -3.486 138 HB2 LEU 17 HB2 LEU 17 5.248 -4.154 -3.173 139 HB3 LEU 17 HB1 LEU 17 3.769 -4.957 -2.705 140 HG LEU 17 HG LEU 17 6.384 -5.772 -1.478 141 HD11 LEU 17 HD11 LEU 17 6.077 -3.295 -1.312 142 HD12 LEU 17 HD12 LEU 17 6.126 -4.137 0.236 143 HD13 LEU 17 HD13 LEU 17 4.582 -3.598 -0.429 144 HD21 LEU 17 HD21 LEU 17 4.414 -7.194 -1.081 145 HD22 LEU 17 HD22 LEU 17 3.534 -5.794 -0.478 146 HD23 LEU 17 HD23 LEU 17 4.942 -6.391 0.394 147 H LEU 18 HN LEU 18 6.272 -5.108 -5.793 148 HA LEU 18 HA LEU 18 3.879 -4.574 -7.347 149 HB2 LEU 18 HB2 LEU 18 6.786 -3.941 -7.766 150 HB3 LEU 18 HB1 LEU 18 5.550 -3.569 -8.944 151 HG LEU 18 HG LEU 18 5.688 -2.474 -6.142 152 HD11 LEU 18 HD11 LEU 18 7.404 -1.499 -7.420 153 HD12 LEU 18 HD12 LEU 18 6.078 -0.333 -7.409 154 HD13 LEU 18 HD13 LEU 18 6.363 -1.333 -8.834 155 HD21 LEU 18 HD21 LEU 18 3.760 -1.296 -6.534 156 HD22 LEU 18 HD22 LEU 18 3.387 -2.821 -7.327 157 HD23 LEU 18 HD23 LEU 18 3.893 -1.430 -8.283 158 H SER 19 HN SER 19 6.086 -7.070 -7.067 159 HA SER 19 HA SER 19 6.309 -7.908 -9.763 160 HB2 SER 19 HB2 SER 19 6.552 -9.502 -7.201 161 HB3 SER 19 HB1 SER 19 7.052 -10.062 -8.795 162 HG SER 19 HG SER 19 8.036 -7.662 -7.668 163 H LYS 20 HN LYS 20 5.168 -9.368 -10.936 164 HA LYS 20 HA LYS 20 2.422 -9.643 -10.572 165 HB2 LYS 20 HB2 LYS 20 4.416 -11.083 -12.295 166 HB3 LYS 20 HB1 LYS 20 2.712 -11.537 -12.296 167 HG2 LYS 20 HG2 LYS 20 3.606 -8.712 -12.800 168 HG3 LYS 20 HG1 LYS 20 3.431 -9.901 -14.089 169 HD2 LYS 20 HD2 LYS 20 1.105 -10.110 -13.688 170 HD3 LYS 20 HD1 LYS 20 1.220 -9.239 -12.159 171 HE2 LYS 20 HE2 LYS 20 1.896 -7.979 -14.803 172 HE3 LYS 20 HE1 LYS 20 0.269 -7.952 -14.128 173 HZ1 LYS 20 HZ1 LYS 20 1.515 -5.941 -13.615 174 HZ2 LYS 20 HZ2 LYS 20 2.697 -6.847 -12.818 175 HZ3 LYS 20 HZ3 LYS 20 1.119 -6.785 -12.206 176 H LYS 21 HN LYS 21 5.039 -11.434 -9.306 177 HA LYS 21 HA LYS 21 3.898 -13.831 -8.533 178 HB2 LYS 21 HB2 LYS 21 6.228 -13.447 -8.218 179 HB3 LYS 21 HB1 LYS 21 5.934 -12.039 -7.223 180 HG2 LYS 21 HG2 LYS 21 5.020 -13.469 -5.470 181 HG3 LYS 21 HG1 LYS 21 5.354 -14.894 -6.452 182 HD2 LYS 21 HD2 LYS 21 7.768 -14.064 -6.515 183 HD3 LYS 21 HD1 LYS 21 7.297 -12.994 -5.190 184 HE2 LYS 21 HE2 LYS 21 6.419 -15.046 -4.029 185 HE3 LYS 21 HE1 LYS 21 7.237 -15.994 -5.260 186 HZ1 LYS 21 HZ1 LYS 21 9.332 -14.916 -4.616 187 HZ2 LYS 21 HZ2 LYS 21 8.648 -15.802 -3.349 188 HZ3 LYS 21 HZ3 LYS 21 8.529 -14.118 -3.361 189 H HIS 22 HN HIS 22 3.523 -10.615 -7.142 190 HA HIS 22 HA HIS 22 1.717 -11.761 -5.110 191 HB2 HIS 22 HB2 HIS 22 3.230 -9.129 -5.034 192 HB3 HIS 22 HB1 HIS 22 2.109 -9.695 -3.784 193 HD1 HIS 22 HD1 HIS 22 2.903 -11.712 -2.298 194 HD2 HIS 22 HD2 HIS 22 5.756 -10.263 -4.959 195 HE1 HIS 22 HE1 HIS 22 5.080 -12.721 -1.550 196 HE2 HIS 22 HE2 HIS 22 6.800 -11.824 -3.177 197 H ALA 23 HN ALA 23 1.827 -9.963 -7.939 198 HA ALA 23 HA ALA 23 0.047 -7.904 -7.700 199 HB1 ALA 23 HB1 ALA 23 1.332 -8.455 -9.706 200 HB2 ALA 23 HB2 ALA 23 -0.363 -8.117 -10.059 201 HB3 ALA 23 HB3 ALA 23 0.219 -9.782 -10.042 202 H ALA 24 HN ALA 24 -0.690 -11.311 -7.933 203 HA ALA 24 HA ALA 24 -3.404 -11.238 -8.525 204 HB1 ALA 24 HB1 ALA 24 -1.769 -13.183 -6.917 205 HB2 ALA 24 HB2 ALA 24 -2.235 -13.298 -8.616 206 HB3 ALA 24 HB3 ALA 24 -3.456 -13.460 -7.353 207 H TYR 25 HN TYR 25 -1.786 -10.315 -5.633 208 HA TYR 25 HA TYR 25 -4.362 -9.588 -4.488 209 HB2 TYR 25 HB2 TYR 25 -3.472 -10.390 -2.199 210 HB3 TYR 25 HB1 TYR 25 -4.110 -11.592 -3.315 211 HD1 TYR 25 HD1 TYR 25 -0.920 -10.107 -2.102 212 HD2 TYR 25 HD2 TYR 25 -2.832 -13.425 -3.943 213 HE1 TYR 25 HE1 TYR 25 1.150 -11.424 -1.875 214 HE2 TYR 25 HE2 TYR 25 -0.765 -14.737 -3.746 215 HH TYR 25 HH TYR 25 1.784 -13.877 -1.770 216 H ALA 26 HN ALA 26 -1.925 -8.324 -5.725 217 HA ALA 26 HA ALA 26 -1.331 -6.418 -3.553 218 HB1 ALA 26 HB1 ALA 26 0.661 -7.696 -4.287 219 HB2 ALA 26 HB2 ALA 26 0.807 -5.966 -4.603 220 HB3 ALA 26 HB3 ALA 26 0.423 -7.069 -5.920 221 H TRP 27 HN TRP 27 -2.881 -6.807 -6.529 222 HA TRP 27 HA TRP 27 -2.216 -4.466 -7.859 223 HB2 TRP 27 HB2 TRP 27 -4.328 -4.722 -9.126 224 HB3 TRP 27 HB1 TRP 27 -3.383 -6.199 -9.039 225 HD1 TRP 27 HD1 TRP 27 -4.458 -8.270 -7.777 226 HE1 TRP 27 HE1 TRP 27 -6.856 -8.783 -7.000 227 HE3 TRP 27 HE3 TRP 27 -6.477 -3.571 -8.152 228 HZ2 TRP 27 HZ2 TRP 27 -9.275 -7.398 -6.614 229 HZ3 TRP 27 HZ3 TRP 27 -8.844 -3.265 -7.571 230 HH2 TRP 27 HH2 TRP 27 -10.212 -5.139 -6.815 231 HA PRO 28 HA PRO 28 -6.023 -2.318 -5.507 232 HB2 PRO 28 HB2 PRO 28 -5.503 -2.792 -2.765 233 HB3 PRO 28 HB1 PRO 28 -6.938 -3.274 -3.667 234 HG2 PRO 28 HG2 PRO 28 -4.601 -4.862 -2.839 235 HG3 PRO 28 HG1 PRO 28 -6.236 -5.399 -3.265 236 HD2 PRO 28 HD2 PRO 28 -4.047 -5.789 -4.858 237 HD3 PRO 28 HD1 PRO 28 -5.703 -5.673 -5.478 238 H PHE 29 HN PHE 29 -2.710 -2.874 -4.678 239 HA PHE 29 HA PHE 29 -2.545 -0.224 -3.398 240 HB2 PHE 29 HB2 PHE 29 -0.372 -2.271 -3.178 241 HB3 PHE 29 HB1 PHE 29 -0.801 -0.968 -2.067 242 HD1 PHE 29 HD1 PHE 29 -0.864 -4.410 -2.535 243 HD2 PHE 29 HD2 PHE 29 -3.284 -1.217 -1.089 244 HE1 PHE 29 HE1 PHE 29 -2.161 -6.002 -1.200 245 HE2 PHE 29 HE2 PHE 29 -4.590 -2.815 0.247 246 HZ PHE 29 HZ PHE 29 -4.029 -5.209 0.189 247 H TYR 30 HN TYR 30 -1.687 -1.903 -6.214 248 HA TYR 30 HA TYR 30 0.725 -0.745 -6.960 249 HB2 TYR 30 HB2 TYR 30 -1.685 -1.581 -8.551 250 HB3 TYR 30 HB1 TYR 30 -0.295 -0.850 -9.343 251 HD1 TYR 30 HD1 TYR 30 0.466 -2.801 -6.443 252 HD2 TYR 30 HD2 TYR 30 -0.191 -3.034 -10.626 253 HE1 TYR 30 HE1 TYR 30 1.609 -4.968 -6.484 254 HE2 TYR 30 HE2 TYR 30 0.947 -5.216 -10.684 255 HH TYR 30 HH TYR 30 1.910 -6.850 -7.740 256 H LYS 31 HN LYS 31 -2.543 0.557 -7.576 257 HA LYS 31 HA LYS 31 -1.398 3.254 -7.487 258 HB2 LYS 31 HB2 LYS 31 -3.142 2.070 -9.618 259 HB3 LYS 31 HB1 LYS 31 -3.211 3.794 -9.282 260 HG2 LYS 31 HG2 LYS 31 -0.756 3.900 -9.687 261 HG3 LYS 31 HG1 LYS 31 -0.820 2.211 -10.189 262 HD2 LYS 31 HD2 LYS 31 -2.380 2.787 -11.972 263 HD3 LYS 31 HD1 LYS 31 -2.377 4.471 -11.447 264 HE2 LYS 31 HE2 LYS 31 -0.919 4.249 -13.344 265 HE3 LYS 31 HE1 LYS 31 0.056 4.562 -11.910 266 HZ1 LYS 31 HZ1 LYS 31 1.045 2.834 -13.249 267 HZ2 LYS 31 HZ2 LYS 31 -0.374 1.915 -13.184 268 HZ3 LYS 31 HZ3 LYS 31 0.523 2.183 -11.778 269 HA PRO 32 HA PRO 32 -4.658 4.367 -4.735 270 HB2 PRO 32 HB2 PRO 32 -5.708 6.628 -5.966 271 HB3 PRO 32 HB1 PRO 32 -4.298 6.620 -4.904 272 HG2 PRO 32 HG2 PRO 32 -4.424 6.602 -7.889 273 HG3 PRO 32 HG1 PRO 32 -3.310 7.472 -6.815 274 HD2 PRO 32 HD2 PRO 32 -2.540 5.257 -8.091 275 HD3 PRO 32 HD1 PRO 32 -2.015 5.582 -6.426 276 H VAL 33 HN VAL 33 -6.841 4.056 -4.457 277 HA VAL 33 HA VAL 33 -8.129 2.471 -6.380 278 HB VAL 33 HB VAL 33 -9.783 2.107 -4.852 279 HG11 VAL 33 HG11 VAL 33 -7.714 1.629 -3.736 280 HG12 VAL 33 HG12 VAL 33 -8.903 2.210 -2.574 281 HG13 VAL 33 HG13 VAL 33 -7.619 3.282 -3.133 282 HG21 VAL 33 HG21 VAL 33 -11.016 4.013 -4.697 283 HG22 VAL 33 HG22 VAL 33 -9.631 5.013 -4.247 284 HG23 VAL 33 HG23 VAL 33 -10.352 3.920 -3.064 285 H ASP 34 HN ASP 34 -9.867 2.875 -7.716 286 HA ASP 34 HA ASP 34 -9.896 5.589 -8.741 287 HB2 ASP 34 HB2 ASP 34 -11.244 3.084 -9.783 288 HB3 ASP 34 HB1 ASP 34 -11.267 4.651 -10.583 289 H ALA 35 HN ALA 35 -10.877 6.302 -6.701 290 HA ALA 35 HA ALA 35 -13.374 5.575 -5.759 291 HB1 ALA 35 HB1 ALA 35 -12.292 6.916 -4.269 292 HB2 ALA 35 HB2 ALA 35 -13.356 8.116 -5.011 293 HB3 ALA 35 HB3 ALA 35 -11.675 7.993 -5.527 294 H SER 36 HN SER 36 -12.543 7.766 -8.375 295 HA SER 36 HA SER 36 -15.048 8.962 -8.760 296 HB2 SER 36 HB2 SER 36 -12.986 8.279 -10.869 297 HB3 SER 36 HB1 SER 36 -14.242 9.512 -10.991 298 HG SER 36 HG SER 36 -11.842 9.537 -9.573 299 H ALA 37 HN ALA 37 -13.715 5.922 -9.942 300 HA ALA 37 HA ALA 37 -16.114 5.321 -11.473 301 HB1 ALA 37 HB1 ALA 37 -13.518 3.835 -11.081 302 HB2 ALA 37 HB2 ALA 37 -14.026 4.749 -12.504 303 HB3 ALA 37 HB3 ALA 37 -14.854 3.250 -12.078 304 H LEU 38 HN LEU 38 -14.676 4.611 -8.429 305 HA LEU 38 HA LEU 38 -16.225 2.231 -7.920 306 HB2 LEU 38 HB2 LEU 38 -14.326 3.874 -6.266 307 HB3 LEU 38 HB1 LEU 38 -15.175 2.485 -5.619 308 HG LEU 38 HG LEU 38 -13.450 2.248 -8.068 309 HD11 LEU 38 HD11 LEU 38 -12.575 2.103 -5.182 310 HD12 LEU 38 HD12 LEU 38 -11.965 3.170 -6.445 311 HD13 LEU 38 HD13 LEU 38 -11.659 1.437 -6.531 312 HD21 LEU 38 HD21 LEU 38 -14.271 0.270 -5.950 313 HD22 LEU 38 HD22 LEU 38 -13.343 -0.077 -7.410 314 HD23 LEU 38 HD23 LEU 38 -15.025 0.438 -7.535 315 H GLY 39 HN GLY 39 -16.945 5.465 -7.879 316 HA2 GLY 39 HA2 GLY 39 -18.879 6.535 -7.183 317 HA3 GLY 39 HA1 GLY 39 -19.385 5.037 -6.414 318 H LEU 40 HN LEU 40 -16.283 5.853 -5.518 319 HA LEU 40 HA LEU 40 -17.151 6.497 -2.853 320 HB2 LEU 40 HB2 LEU 40 -14.322 6.279 -3.825 321 HB3 LEU 40 HB1 LEU 40 -14.932 6.048 -2.200 322 HG LEU 40 HG LEU 40 -15.275 4.212 -4.551 323 HD11 LEU 40 HD11 LEU 40 -13.216 3.787 -3.601 324 HD12 LEU 40 HD12 LEU 40 -14.264 2.619 -2.817 325 HD13 LEU 40 HD13 LEU 40 -13.786 4.085 -1.965 326 HD21 LEU 40 HD21 LEU 40 -16.586 4.080 -1.856 327 HD22 LEU 40 HD22 LEU 40 -16.558 2.762 -3.018 328 HD23 LEU 40 HD23 LEU 40 -17.385 4.267 -3.409 329 H HIS 41 HN HIS 41 -18.023 8.580 -3.315 330 HA HIS 41 HA HIS 41 -16.466 10.669 -4.466 331 HB2 HIS 41 HB2 HIS 41 -18.932 10.917 -2.722 332 HB3 HIS 41 HB1 HIS 41 -18.281 12.149 -3.791 333 HD1 HIS 41 HD1 HIS 41 -18.680 11.876 -6.325 334 HD2 HIS 41 HD2 HIS 41 -20.497 8.913 -4.007 335 HE1 HIS 41 HE1 HIS 41 -20.318 10.727 -7.844 336 HE2 HIS 41 HE2 HIS 41 -21.486 9.038 -6.391 337 H ASP 42 HN ASP 42 -16.431 9.279 -1.382 338 HA ASP 42 HA ASP 42 -15.419 11.758 -0.180 339 HB2 ASP 42 HB2 ASP 42 -17.064 9.542 0.924 340 HB3 ASP 42 HB1 ASP 42 -15.952 10.357 2.013 341 H TYR 43 HN TYR 43 -13.902 9.630 -1.713 342 HA TYR 43 HA TYR 43 -12.442 8.086 0.149 343 HB2 TYR 43 HB2 TYR 43 -12.550 7.476 -2.210 344 HB3 TYR 43 HB1 TYR 43 -11.713 8.947 -2.666 345 HD1 TYR 43 HD1 TYR 43 -11.337 5.721 -0.924 346 HD2 TYR 43 HD2 TYR 43 -9.335 9.041 -2.660 347 HE1 TYR 43 HE1 TYR 43 -9.212 4.498 -0.783 348 HE2 TYR 43 HE2 TYR 43 -7.202 7.831 -2.521 349 HH TYR 43 HH TYR 43 -7.032 4.480 -1.717 350 H HIS 44 HN HIS 44 -11.909 11.294 -1.212 351 HA HIS 44 HA HIS 44 -9.335 11.505 0.117 352 HB2 HIS 44 HB2 HIS 44 -10.890 13.382 -1.651 353 HB3 HIS 44 HB1 HIS 44 -9.434 13.892 -0.807 354 HD1 HIS 44 HD1 HIS 44 -7.188 12.994 -1.668 355 HD2 HIS 44 HD2 HIS 44 -10.475 11.597 -3.795 356 HE1 HIS 44 HE1 HIS 44 -6.247 11.928 -3.739 357 HE2 HIS 44 HE2 HIS 44 -8.238 10.974 -4.945 358 H ASP 45 HN ASP 45 -12.420 11.702 1.162 359 HA ASP 45 HA ASP 45 -11.948 13.877 3.052 360 HB2 ASP 45 HB2 ASP 45 -14.349 12.062 2.697 361 HB3 ASP 45 HB1 ASP 45 -14.239 13.356 3.877 362 H ILE 46 HN ILE 46 -12.517 10.385 3.010 363 HA ILE 46 HA ILE 46 -12.078 10.059 5.822 364 HB ILE 46 HB ILE 46 -12.384 8.152 3.521 365 HG12 ILE 46 HG12 ILE 46 -14.248 7.308 4.974 366 HG13 ILE 46 HG11 ILE 46 -13.940 8.660 6.053 367 HG21 ILE 46 HG21 ILE 46 -10.922 6.782 4.604 368 HG22 ILE 46 HG22 ILE 46 -12.393 6.395 5.512 369 HG23 ILE 46 HG23 ILE 46 -11.226 7.539 6.176 370 HD11 ILE 46 HD11 ILE 46 -14.821 8.830 3.181 371 HD12 ILE 46 HD12 ILE 46 -14.449 10.209 4.215 372 HD13 ILE 46 HD13 ILE 46 -15.803 9.150 4.609 373 H ILE 47 HN ILE 47 -10.164 9.585 2.889 374 HA ILE 47 HA ILE 47 -7.919 8.625 4.487 375 HB ILE 47 HB ILE 47 -8.132 8.787 1.489 376 HG12 ILE 47 HG12 ILE 47 -9.871 7.332 2.184 377 HG13 ILE 47 HG11 ILE 47 -8.530 6.268 1.790 378 HG21 ILE 47 HG21 ILE 47 -6.298 7.171 1.541 379 HG22 ILE 47 HG22 ILE 47 -6.270 7.252 3.299 380 HG23 ILE 47 HG23 ILE 47 -5.844 8.671 2.342 381 HD11 ILE 47 HD11 ILE 47 -7.991 6.055 4.110 382 HD12 ILE 47 HD12 ILE 47 -9.658 5.627 3.856 383 HD13 ILE 47 HD13 ILE 47 -9.233 7.187 4.549 384 H LYS 48 HN LYS 48 -6.681 10.155 5.322 385 HA LYS 48 HA LYS 48 -6.424 12.733 4.017 386 HB2 LYS 48 HB2 LYS 48 -5.593 11.667 6.702 387 HB3 LYS 48 HB1 LYS 48 -5.119 13.257 6.131 388 HG2 LYS 48 HG2 LYS 48 -7.969 12.326 6.374 389 HG3 LYS 48 HG1 LYS 48 -7.119 13.270 7.599 390 HD2 LYS 48 HD2 LYS 48 -6.964 15.149 6.199 391 HD3 LYS 48 HD1 LYS 48 -7.328 14.205 4.758 392 HE2 LYS 48 HE2 LYS 48 -9.199 15.630 5.476 393 HE3 LYS 48 HE1 LYS 48 -9.579 13.911 5.426 394 HZ1 LYS 48 HZ1 LYS 48 -8.871 15.406 7.891 395 HZ2 LYS 48 HZ2 LYS 48 -9.380 13.797 7.805 396 HZ3 LYS 48 HZ3 LYS 48 -10.449 15.045 7.412 397 H HIS 49 HN HIS 49 -4.601 9.849 4.447 398 HA HIS 49 HA HIS 49 -2.259 11.141 3.210 399 HB2 HIS 49 HB2 HIS 49 -2.359 8.972 5.295 400 HB3 HIS 49 HB1 HIS 49 -0.907 9.325 4.366 401 HD1 HIS 49 HD1 HIS 49 -1.128 9.628 7.485 402 HD2 HIS 49 HD2 HIS 49 -1.537 12.745 4.750 403 HE1 HIS 49 HE1 HIS 49 -0.562 11.724 8.750 404 HE2 HIS 49 HE2 HIS 49 -0.725 13.581 7.056 405 HA PRO 50 HA PRO 50 -3.995 7.557 0.621 406 HB2 PRO 50 HB2 PRO 50 -4.254 8.923 -1.717 407 HB3 PRO 50 HB1 PRO 50 -5.538 8.823 -0.507 408 HG2 PRO 50 HG2 PRO 50 -3.562 11.022 -0.998 409 HG3 PRO 50 HG1 PRO 50 -5.306 11.126 -0.671 410 HD2 PRO 50 HD2 PRO 50 -3.458 11.571 1.253 411 HD3 PRO 50 HD1 PRO 50 -5.024 10.813 1.611 412 H MET 51 HN MET 51 -2.262 6.315 0.246 413 HA MET 51 HA MET 51 -0.233 7.303 -1.609 414 HB2 MET 51 HB2 MET 51 0.752 7.583 0.576 415 HB3 MET 51 HB1 MET 51 0.286 5.961 1.064 416 HG2 MET 51 HG2 MET 51 2.704 6.214 0.528 417 HG3 MET 51 HG1 MET 51 1.885 4.989 -0.446 418 HE1 MET 51 HE1 MET 51 2.999 8.690 -0.331 419 HE2 MET 51 HE2 MET 51 1.440 8.884 -1.120 420 HE3 MET 51 HE3 MET 51 2.929 9.197 -2.013 421 H ASP 52 HN ASP 52 0.847 5.689 -2.784 422 HA ASP 52 HA ASP 52 -0.185 2.955 -2.606 423 HB2 ASP 52 HB2 ASP 52 -0.461 2.861 -5.067 424 HB3 ASP 52 HB1 ASP 52 -1.560 4.030 -4.335 425 H LEU 53 HN LEU 53 1.189 1.456 -3.975 426 HA LEU 53 HA LEU 53 3.863 1.815 -3.153 427 HB2 LEU 53 HB2 LEU 53 2.497 -0.196 -4.891 428 HB3 LEU 53 HB1 LEU 53 4.239 -0.220 -4.696 429 HG LEU 53 HG LEU 53 2.320 -0.310 -2.378 430 HD11 LEU 53 HD11 LEU 53 2.082 -2.214 -3.958 431 HD12 LEU 53 HD12 LEU 53 2.574 -2.672 -2.333 432 HD13 LEU 53 HD13 LEU 53 3.760 -2.628 -3.641 433 HD21 LEU 53 HD21 LEU 53 4.482 0.434 -1.735 434 HD22 LEU 53 HD22 LEU 53 5.267 -0.845 -2.657 435 HD23 LEU 53 HD23 LEU 53 4.317 -1.242 -1.224 436 H SER 54 HN SER 54 2.292 2.354 -6.239 437 HA SER 54 HA SER 54 4.658 2.656 -7.758 438 HB2 SER 54 HB2 SER 54 2.704 2.310 -9.012 439 HB3 SER 54 HB1 SER 54 1.827 3.591 -8.173 440 HG SER 54 HG SER 54 4.118 4.398 -9.491 441 H THR 55 HN THR 55 2.690 4.993 -5.939 442 HA THR 55 HA THR 55 4.299 7.244 -6.649 443 HB THR 55 HB THR 55 2.521 7.042 -4.217 444 HG1 THR 55 HG1 THR 55 1.000 6.787 -5.729 445 HG21 THR 55 HG21 THR 55 4.155 8.951 -4.531 446 HG22 THR 55 HG22 THR 55 2.466 9.398 -4.303 447 HG23 THR 55 HG23 THR 55 3.183 9.436 -5.917 448 H VAL 56 HN VAL 56 4.357 4.906 -4.010 449 HA VAL 56 HA VAL 56 6.261 6.185 -2.384 450 HB VAL 56 HB VAL 56 5.849 3.222 -2.858 451 HG11 VAL 56 HG11 VAL 56 8.080 3.689 -1.943 452 HG12 VAL 56 HG12 VAL 56 7.048 2.879 -0.761 453 HG13 VAL 56 HG13 VAL 56 7.342 4.613 -0.632 454 HG21 VAL 56 HG21 VAL 56 3.912 4.513 -1.956 455 HG22 VAL 56 HG22 VAL 56 4.917 4.948 -0.572 456 HG23 VAL 56 HG23 VAL 56 4.514 3.258 -0.870 457 H LYS 57 HN LYS 57 6.610 3.936 -5.071 458 HA LYS 57 HA LYS 57 9.426 3.910 -5.132 459 HB2 LYS 57 HB2 LYS 57 7.412 2.597 -6.476 460 HB3 LYS 57 HB1 LYS 57 8.121 3.603 -7.733 461 HG2 LYS 57 HG2 LYS 57 10.342 2.683 -7.139 462 HG3 LYS 57 HG1 LYS 57 9.547 1.597 -6.016 463 HD2 LYS 57 HD2 LYS 57 8.202 0.720 -7.922 464 HD3 LYS 57 HD1 LYS 57 9.225 1.678 -8.999 465 HE2 LYS 57 HE2 LYS 57 11.203 0.520 -8.035 466 HE3 LYS 57 HE1 LYS 57 10.094 -0.512 -7.129 467 HZ1 LYS 57 HZ1 LYS 57 10.856 -1.565 -9.174 468 HZ2 LYS 57 HZ2 LYS 57 10.223 -0.294 -10.092 469 HZ3 LYS 57 HZ3 LYS 57 9.186 -1.305 -9.220 470 H ARG 58 HN ARG 58 6.989 5.818 -6.792 471 HA ARG 58 HA ARG 58 8.550 7.350 -8.489 472 HB2 ARG 58 HB2 ARG 58 6.104 7.325 -8.452 473 HB3 ARG 58 HB1 ARG 58 6.109 8.150 -6.904 474 HG2 ARG 58 HG2 ARG 58 7.126 10.111 -7.950 475 HG3 ARG 58 HG1 ARG 58 7.095 9.292 -9.509 476 HD2 ARG 58 HD2 ARG 58 4.668 9.134 -9.378 477 HD3 ARG 58 HD1 ARG 58 4.700 9.909 -7.799 478 HE ARG 58 HE ARG 58 5.954 11.653 -9.528 479 HH11 ARG 58 HH11 ARG 58 2.809 10.140 -9.302 480 HH12 ARG 58 HH12 ARG 58 1.961 11.497 -9.977 481 HH21 ARG 58 HH21 ARG 58 4.838 13.448 -10.436 482 HH22 ARG 58 HH22 ARG 58 3.111 13.373 -10.619 483 H LYS 59 HN LYS 59 7.622 8.059 -5.132 484 HA LYS 59 HA LYS 59 9.159 10.456 -5.006 485 HB2 LYS 59 HB2 LYS 59 7.897 8.765 -2.845 486 HB3 LYS 59 HB1 LYS 59 8.676 10.318 -2.557 487 HG2 LYS 59 HG2 LYS 59 7.050 11.484 -3.808 488 HG3 LYS 59 HG1 LYS 59 6.407 9.994 -4.493 489 HD2 LYS 59 HD2 LYS 59 4.971 10.995 -2.709 490 HD3 LYS 59 HD1 LYS 59 5.468 9.333 -2.394 491 HE2 LYS 59 HE2 LYS 59 7.345 11.263 -1.287 492 HE3 LYS 59 HE1 LYS 59 5.707 11.494 -0.666 493 HZ1 LYS 59 HZ1 LYS 59 7.116 8.880 -0.673 494 HZ2 LYS 59 HZ2 LYS 59 5.637 9.238 0.071 495 HZ3 LYS 59 HZ3 LYS 59 7.066 9.930 0.651 496 H MET 60 HN MET 60 9.747 7.097 -4.138 497 HA MET 60 HA MET 60 12.254 7.424 -2.905 498 HB2 MET 60 HB2 MET 60 11.082 5.275 -2.868 499 HB3 MET 60 HB1 MET 60 11.253 5.126 -4.612 500 HG2 MET 60 HG2 MET 60 13.791 5.276 -4.124 501 HG3 MET 60 HG1 MET 60 13.323 4.871 -2.476 502 HE1 MET 60 HE1 MET 60 11.767 2.779 -1.935 503 HE2 MET 60 HE2 MET 60 11.414 1.481 -3.074 504 HE3 MET 60 HE3 MET 60 10.675 3.069 -3.288 505 H GLU 61 HN GLU 61 11.310 7.182 -6.312 506 HA GLU 61 HA GLU 61 13.947 7.119 -7.358 507 HB2 GLU 61 HB2 GLU 61 11.305 7.932 -8.559 508 HB3 GLU 61 HB1 GLU 61 12.798 7.925 -9.483 509 HG2 GLU 61 HG2 GLU 61 13.047 5.513 -8.934 510 HG3 GLU 61 HG1 GLU 61 11.459 5.575 -8.169 511 H ASN 62 HN ASN 62 11.817 9.696 -6.392 512 HA ASN 62 HA ASN 62 13.490 11.779 -7.494 513 HB2 ASN 62 HB2 ASN 62 11.061 11.795 -5.708 514 HB3 ASN 62 HB1 ASN 62 11.975 13.261 -6.034 515 HD21 ASN 62 HD21 ASN 62 11.603 10.769 -8.442 516 HD22 ASN 62 HD22 ASN 62 10.544 11.659 -9.478 517 H ARG 63 HN ARG 63 13.754 9.696 -5.050 518 HA ARG 63 HA ARG 63 15.093 9.423 -3.275 519 HB2 ARG 63 HB2 ARG 63 16.604 11.787 -4.382 520 HB3 ARG 63 HB1 ARG 63 17.236 10.530 -3.329 521 HG2 ARG 63 HG2 ARG 63 16.174 10.023 -6.097 522 HG3 ARG 63 HG1 ARG 63 17.874 10.299 -5.712 523 HD2 ARG 63 HD2 ARG 63 18.066 8.306 -4.530 524 HD3 ARG 63 HD1 ARG 63 16.324 8.144 -4.325 525 HE ARG 63 HE ARG 63 16.264 7.013 -6.292 526 HH11 ARG 63 HH11 ARG 63 19.173 8.981 -6.314 527 HH12 ARG 63 HH12 ARG 63 19.716 8.371 -7.845 528 HH21 ARG 63 HH21 ARG 63 17.000 6.195 -8.278 529 HH22 ARG 63 HH22 ARG 63 18.493 6.773 -8.951 530 H ASP 64 HN ASP 64 12.789 11.100 -2.964 531 HA ASP 64 HA ASP 64 13.440 13.168 -1.097 532 HB2 ASP 64 HB2 ASP 64 10.926 11.731 -1.853 533 HB3 ASP 64 HB1 ASP 64 10.950 12.698 -0.382 534 H TYR 65 HN TYR 65 13.201 9.774 -0.953 535 HA TYR 65 HA TYR 65 12.840 9.586 1.903 536 HB2 TYR 65 HB2 TYR 65 13.653 7.487 -0.132 537 HB3 TYR 65 HB1 TYR 65 13.262 7.167 1.552 538 HD1 TYR 65 HD1 TYR 65 11.523 5.592 1.014 539 HD2 TYR 65 HD2 TYR 65 11.334 9.575 -0.453 540 HE1 TYR 65 HE1 TYR 65 9.166 5.256 0.390 541 HE2 TYR 65 HE2 TYR 65 8.992 9.241 -1.071 542 HH TYR 65 HH TYR 65 7.165 6.583 -0.016 543 H ARG 66 HN ARG 66 14.462 9.187 3.411 544 HA ARG 66 HA ARG 66 17.184 9.340 2.368 545 HB2 ARG 66 HB2 ARG 66 16.817 11.163 3.825 546 HB3 ARG 66 HB1 ARG 66 15.913 10.181 4.960 547 HG2 ARG 66 HG2 ARG 66 17.949 10.701 6.011 548 HG3 ARG 66 HG1 ARG 66 18.079 9.019 5.513 549 HD2 ARG 66 HD2 ARG 66 19.932 10.988 5.066 550 HD3 ARG 66 HD1 ARG 66 19.863 9.448 4.225 551 HE ARG 66 HE ARG 66 18.182 11.164 2.842 552 HH11 ARG 66 HH11 ARG 66 21.572 11.043 3.678 553 HH12 ARG 66 HH12 ARG 66 22.072 11.995 2.316 554 HH21 ARG 66 HH21 ARG 66 18.827 12.400 1.049 555 HH22 ARG 66 HH22 ARG 66 20.508 12.761 0.811 556 H ASP 67 HN ASP 67 14.939 7.387 4.171 557 HA ASP 67 HA ASP 67 16.959 5.292 4.402 558 HB2 ASP 67 HB2 ASP 67 15.356 6.368 6.730 559 HB3 ASP 67 HB1 ASP 67 16.166 4.807 6.752 560 H ALA 68 HN ALA 68 15.921 3.206 5.057 561 HA ALA 68 HA ALA 68 13.654 2.738 3.385 562 HB1 ALA 68 HB1 ALA 68 15.031 0.934 5.358 563 HB2 ALA 68 HB2 ALA 68 15.397 1.062 3.636 564 HB3 ALA 68 HB3 ALA 68 13.840 0.420 4.164 565 H GLN 69 HN GLN 69 14.096 3.633 6.631 566 HA GLN 69 HA GLN 69 11.698 2.589 7.710 567 HB2 GLN 69 HB2 GLN 69 13.587 3.442 9.099 568 HB3 GLN 69 HB1 GLN 69 13.180 5.074 8.582 569 HG2 GLN 69 HG2 GLN 69 12.191 4.809 10.693 570 HG3 GLN 69 HG1 GLN 69 10.890 4.665 9.512 571 HE21 GLN 69 HE21 GLN 69 12.867 2.972 11.803 572 HE22 GLN 69 HE22 GLN 69 11.906 1.536 11.872 573 H GLU 70 HN GLU 70 12.586 5.591 6.102 574 HA GLU 70 HA GLU 70 10.070 6.838 6.313 575 HB2 GLU 70 HB2 GLU 70 12.378 7.229 4.425 576 HB3 GLU 70 HB1 GLU 70 10.900 8.180 4.322 577 HG2 GLU 70 HG2 GLU 70 11.243 8.914 6.646 578 HG3 GLU 70 HG1 GLU 70 12.767 8.028 6.669 579 H PHE 71 HN PHE 71 11.491 4.618 4.013 580 HA PHE 71 HA PHE 71 9.348 4.573 2.175 581 HB2 PHE 71 HB2 PHE 71 11.210 3.468 1.339 582 HB3 PHE 71 HB1 PHE 71 11.558 2.664 2.866 583 HD1 PHE 71 HD1 PHE 71 9.406 2.620 -0.123 584 HD2 PHE 71 HD2 PHE 71 10.595 0.543 3.385 585 HE1 PHE 71 HE1 PHE 71 8.284 0.591 -0.946 586 HE2 PHE 71 HE2 PHE 71 9.474 -1.482 2.578 587 HZ PHE 71 HZ PHE 71 8.319 -1.467 0.403 588 H ALA 72 HN ALA 72 10.114 2.445 4.928 589 HA ALA 72 HA ALA 72 7.854 0.873 4.900 590 HB1 ALA 72 HB1 ALA 72 9.534 1.817 7.218 591 HB2 ALA 72 HB2 ALA 72 9.668 0.297 6.334 592 HB3 ALA 72 HB3 ALA 72 8.269 0.596 7.367 593 H ALA 73 HN ALA 73 8.378 4.009 6.379 594 HA ALA 73 HA ALA 73 5.961 4.375 7.674 595 HB1 ALA 73 HB1 ALA 73 7.917 6.247 6.390 596 HB2 ALA 73 HB2 ALA 73 7.622 5.945 8.107 597 HB3 ALA 73 HB3 ALA 73 6.443 6.847 7.155 598 H ASP 74 HN ASP 74 6.825 5.072 4.298 599 HA ASP 74 HA ASP 74 4.337 6.252 3.615 600 HB2 ASP 74 HB2 ASP 74 6.845 5.566 2.302 601 HB3 ASP 74 HB1 ASP 74 5.458 5.310 1.265 602 H VAL 75 HN VAL 75 5.734 3.036 2.988 603 HA VAL 75 HA VAL 75 3.509 2.107 1.504 604 HB VAL 75 HB VAL 75 5.574 1.011 1.120 605 HG11 VAL 75 HG11 VAL 75 6.787 1.360 3.116 606 HG12 VAL 75 HG12 VAL 75 6.654 -0.387 2.911 607 HG13 VAL 75 HG13 VAL 75 5.615 0.446 4.068 608 HG21 VAL 75 HG21 VAL 75 5.051 -1.390 1.749 609 HG22 VAL 75 HG22 VAL 75 3.840 -0.529 0.798 610 HG23 VAL 75 HG23 VAL 75 3.604 -0.754 2.531 611 H ARG 76 HN ARG 76 4.374 1.788 4.933 612 HA ARG 76 HA ARG 76 2.243 -0.002 5.533 613 HB2 ARG 76 HB2 ARG 76 2.876 0.192 7.778 614 HB3 ARG 76 HB1 ARG 76 4.373 0.414 6.894 615 HG2 ARG 76 HG2 ARG 76 4.024 2.890 7.104 616 HG3 ARG 76 HG1 ARG 76 2.698 2.534 8.211 617 HD2 ARG 76 HD2 ARG 76 4.195 1.438 9.734 618 HD3 ARG 76 HD1 ARG 76 5.528 1.575 8.590 619 HE ARG 76 HE ARG 76 4.280 4.049 9.506 620 HH11 ARG 76 HH11 ARG 76 6.955 1.803 9.758 621 HH12 ARG 76 HH12 ARG 76 8.021 2.955 10.489 622 HH21 ARG 76 HH21 ARG 76 5.683 5.569 10.462 623 HH22 ARG 76 HH22 ARG 76 7.299 5.100 10.890 624 H LEU 77 HN LEU 77 2.543 3.469 5.355 625 HA LEU 77 HA LEU 77 0.173 4.232 6.649 626 HB2 LEU 77 HB2 LEU 77 2.200 5.486 5.218 627 HB3 LEU 77 HB1 LEU 77 0.766 5.771 4.255 628 HG LEU 77 HG LEU 77 1.237 6.584 7.112 629 HD11 LEU 77 HD11 LEU 77 0.925 8.048 4.529 630 HD12 LEU 77 HD12 LEU 77 2.283 8.084 5.649 631 HD13 LEU 77 HD13 LEU 77 0.751 8.838 6.093 632 HD21 LEU 77 HD21 LEU 77 -1.287 6.536 5.496 633 HD22 LEU 77 HD22 LEU 77 -1.048 7.693 6.803 634 HD23 LEU 77 HD23 LEU 77 -1.017 5.963 7.141 635 H MET 78 HN MET 78 0.854 3.282 3.321 636 HA MET 78 HA MET 78 -1.697 3.635 2.257 637 HB2 MET 78 HB2 MET 78 0.098 3.273 0.760 638 HB3 MET 78 HB1 MET 78 0.554 1.767 1.544 639 HG2 MET 78 HG2 MET 78 -2.161 1.868 0.396 640 HG3 MET 78 HG1 MET 78 -0.815 1.898 -0.751 641 HE1 MET 78 HE1 MET 78 1.443 0.139 0.558 642 HE2 MET 78 HE2 MET 78 0.885 0.023 -1.108 643 HE3 MET 78 HE3 MET 78 1.019 -1.432 -0.123 644 H PHE 79 HN PHE 79 -0.277 0.677 3.702 645 HA PHE 79 HA PHE 79 -2.590 -0.887 3.539 646 HB2 PHE 79 HB2 PHE 79 -0.414 -1.007 5.630 647 HB3 PHE 79 HB1 PHE 79 -1.660 -2.231 5.394 648 HD1 PHE 79 HD1 PHE 79 -1.819 -2.690 2.607 649 HD2 PHE 79 HD2 PHE 79 1.615 -1.805 4.953 650 HE1 PHE 79 HE1 PHE 79 -0.404 -3.833 0.953 651 HE2 PHE 79 HE2 PHE 79 3.037 -2.941 3.308 652 HZ PHE 79 HZ PHE 79 2.041 -3.945 1.294 653 H SER 80 HN SER 80 -1.553 1.424 5.975 654 HA SER 80 HA SER 80 -3.544 0.942 7.891 655 HB2 SER 80 HB2 SER 80 -2.090 3.533 7.268 656 HB3 SER 80 HB1 SER 80 -2.973 3.177 8.758 657 HG SER 80 HG SER 80 -0.696 1.770 7.779 658 H ASN 81 HN ASN 81 -3.490 2.998 5.028 659 HA ASN 81 HA ASN 81 -5.910 4.373 5.496 660 HB2 ASN 81 HB2 ASN 81 -4.513 3.706 2.902 661 HB3 ASN 81 HB1 ASN 81 -5.884 4.808 3.035 662 HD21 ASN 81 HD21 ASN 81 -2.997 5.100 2.278 663 HD22 ASN 81 HD22 ASN 81 -2.448 6.447 3.216 664 H CYS 82 HN CYS 82 -5.199 1.277 4.027 665 HA CYS 82 HA CYS 82 -7.785 0.826 2.955 666 HB2 CYS 82 HB2 CYS 82 -6.108 -0.635 2.125 667 HB3 CYS 82 HB1 CYS 82 -5.635 -1.153 3.750 668 HG CYS 82 HG CYS 82 -8.784 -1.794 2.664 669 H TYR 83 HN TYR 83 -6.359 -0.142 6.089 670 HA TYR 83 HA TYR 83 -8.803 -1.253 7.052 671 HB2 TYR 83 HB2 TYR 83 -6.537 -0.133 8.719 672 HB3 TYR 83 HB1 TYR 83 -7.802 -1.235 9.259 673 HD1 TYR 83 HD1 TYR 83 -7.805 -3.183 7.005 674 HD2 TYR 83 HD2 TYR 83 -4.549 -1.351 9.067 675 HE1 TYR 83 HE1 TYR 83 -6.377 -5.106 6.465 676 HE2 TYR 83 HE2 TYR 83 -3.133 -3.279 8.540 677 HH TYR 83 HH TYR 83 -3.338 -5.617 7.941 678 H LYS 84 HN LYS 84 -7.628 1.923 6.692 679 HA LYS 84 HA LYS 84 -9.242 3.135 8.739 680 HB2 LYS 84 HB2 LYS 84 -7.017 3.866 7.204 681 HB3 LYS 84 HB1 LYS 84 -8.295 4.955 6.691 682 HG2 LYS 84 HG2 LYS 84 -7.543 4.513 9.571 683 HG3 LYS 84 HG1 LYS 84 -6.838 5.775 8.564 684 HD2 LYS 84 HD2 LYS 84 -9.795 5.486 9.067 685 HD3 LYS 84 HD1 LYS 84 -8.733 6.517 10.026 686 HE2 LYS 84 HE2 LYS 84 -8.097 7.704 7.938 687 HE3 LYS 84 HE1 LYS 84 -9.289 6.738 7.071 688 HZ1 LYS 84 HZ1 LYS 84 -9.877 8.585 9.319 689 HZ2 LYS 84 HZ2 LYS 84 -11.020 7.679 8.460 690 HZ3 LYS 84 HZ3 LYS 84 -10.156 8.909 7.682 691 H TYR 85 HN TYR 85 -9.475 2.528 5.300 692 HA TYR 85 HA TYR 85 -11.963 4.038 5.108 693 HB2 TYR 85 HB2 TYR 85 -10.295 4.109 3.258 694 HB3 TYR 85 HB1 TYR 85 -10.564 2.398 2.985 695 HD1 TYR 85 HD1 TYR 85 -12.253 5.682 3.055 696 HD2 TYR 85 HD2 TYR 85 -12.386 1.696 1.572 697 HE1 TYR 85 HE1 TYR 85 -14.152 6.265 1.610 698 HE2 TYR 85 HE2 TYR 85 -14.277 2.286 0.136 699 HH TYR 85 HH TYR 85 -16.116 4.050 0.182 700 H ASN 86 HN ASN 86 -10.866 0.720 4.440 701 HA ASN 86 HA ASN 86 -13.535 -0.217 3.949 702 HB2 ASN 86 HB2 ASN 86 -10.995 -1.832 4.288 703 HB3 ASN 86 HB1 ASN 86 -12.482 -2.359 3.497 704 HD21 ASN 86 HD21 ASN 86 -12.959 0.054 2.072 705 HD22 ASN 86 HD22 ASN 86 -11.746 0.181 0.852 706 HA PRO 87 HA PRO 87 -14.411 -1.629 8.118 707 HB2 PRO 87 HB2 PRO 87 -16.245 -3.550 7.368 708 HB3 PRO 87 HB1 PRO 87 -16.634 -1.847 7.622 709 HG2 PRO 87 HG2 PRO 87 -16.177 -3.329 5.082 710 HG3 PRO 87 HG1 PRO 87 -17.310 -2.010 5.433 711 HD2 PRO 87 HD2 PRO 87 -14.986 -1.644 4.075 712 HD3 PRO 87 HD1 PRO 87 -15.720 -0.387 5.092 713 HA PRO 88 HA PRO 88 -11.598 -4.780 8.860 714 HB2 PRO 88 HB2 PRO 88 -13.111 -6.518 10.457 715 HB3 PRO 88 HB1 PRO 88 -12.158 -5.140 11.007 716 HG2 PRO 88 HG2 PRO 88 -15.079 -5.322 10.448 717 HG3 PRO 88 HG1 PRO 88 -14.229 -4.413 11.711 718 HD2 PRO 88 HD2 PRO 88 -15.211 -3.170 9.576 719 HD3 PRO 88 HD1 PRO 88 -13.632 -2.702 10.245 720 H ASP 89 HN ASP 89 -14.642 -5.826 7.538 721 HA ASP 89 HA ASP 89 -13.243 -8.177 6.470 722 HB2 ASP 89 HB2 ASP 89 -16.146 -7.978 7.309 723 HB3 ASP 89 HB1 ASP 89 -15.518 -9.269 6.294 724 H HIS 90 HN HIS 90 -12.590 -7.311 4.625 725 HA HIS 90 HA HIS 90 -14.528 -7.134 2.505 726 HB2 HIS 90 HB2 HIS 90 -14.118 -4.741 3.643 727 HB3 HIS 90 HB1 HIS 90 -12.660 -4.790 2.670 728 HD1 HIS 90 HD1 HIS 90 -12.868 -4.186 0.242 729 HD2 HIS 90 HD2 HIS 90 -16.567 -4.767 2.024 730 HE1 HIS 90 HE1 HIS 90 -14.561 -3.459 -1.460 731 HE2 HIS 90 HE2 HIS 90 -16.790 -3.985 -0.415 732 H ASP 91 HN ASP 91 -13.343 -7.165 0.368 733 HA ASP 91 HA ASP 91 -11.285 -9.024 0.423 734 HB2 ASP 91 HB2 ASP 91 -12.240 -7.155 -1.718 735 HB3 ASP 91 HB1 ASP 91 -10.850 -8.196 -1.995 736 H VAL 92 HN VAL 92 -11.019 -5.513 0.289 737 HA VAL 92 HA VAL 92 -8.287 -5.483 -0.455 738 HB VAL 92 HB VAL 92 -8.951 -3.071 0.916 739 HG11 VAL 92 HG11 VAL 92 -7.346 -3.438 -0.958 740 HG12 VAL 92 HG12 VAL 92 -8.434 -2.074 -1.184 741 HG13 VAL 92 HG13 VAL 92 -8.727 -3.588 -2.038 742 HG21 VAL 92 HG21 VAL 92 -11.262 -3.715 0.595 743 HG22 VAL 92 HG22 VAL 92 -10.976 -3.991 -1.118 744 HG23 VAL 92 HG23 VAL 92 -10.854 -2.361 -0.452 745 H VAL 93 HN VAL 93 -9.894 -5.566 2.662 746 HA VAL 93 HA VAL 93 -7.512 -4.879 4.095 747 HB VAL 93 HB VAL 93 -8.677 -5.465 6.128 748 HG11 VAL 93 HG11 VAL 93 -10.600 -4.107 4.248 749 HG12 VAL 93 HG12 VAL 93 -9.221 -3.323 5.024 750 HG13 VAL 93 HG13 VAL 93 -10.548 -3.946 6.006 751 HG21 VAL 93 HG21 VAL 93 -10.886 -6.552 4.403 752 HG22 VAL 93 HG22 VAL 93 -10.890 -6.438 6.164 753 HG23 VAL 93 HG23 VAL 93 -9.758 -7.521 5.351 754 H ALA 94 HN ALA 94 -9.042 -7.843 3.032 755 HA ALA 94 HA ALA 94 -7.339 -9.623 4.449 756 HB1 ALA 94 HB1 ALA 94 -8.881 -10.071 1.891 757 HB2 ALA 94 HB2 ALA 94 -9.474 -10.363 3.526 758 HB3 ALA 94 HB3 ALA 94 -8.148 -11.330 2.883 759 H MET 95 HN MET 95 -7.235 -8.188 1.217 760 HA MET 95 HA MET 95 -4.819 -9.446 0.431 761 HB2 MET 95 HB2 MET 95 -6.171 -6.924 -0.553 762 HB3 MET 95 HB1 MET 95 -4.730 -7.604 -1.297 763 HG2 MET 95 HG2 MET 95 -6.017 -9.704 -1.716 764 HG3 MET 95 HG1 MET 95 -7.456 -8.884 -1.110 765 HE1 MET 95 HE1 MET 95 -8.239 -6.494 -2.185 766 HE2 MET 95 HE2 MET 95 -9.132 -7.882 -2.794 767 HE3 MET 95 HE3 MET 95 -8.586 -6.631 -3.906 768 H ALA 96 HN ALA 96 -5.571 -6.502 2.189 769 HA ALA 96 HA ALA 96 -2.975 -5.370 2.168 770 HB1 ALA 96 HB1 ALA 96 -4.781 -3.955 2.760 771 HB2 ALA 96 HB2 ALA 96 -3.783 -4.132 4.205 772 HB3 ALA 96 HB3 ALA 96 -5.291 -5.035 4.059 773 H ARG 97 HN ARG 97 -4.640 -7.518 4.470 774 HA ARG 97 HA ARG 97 -2.614 -7.639 6.401 775 HB2 ARG 97 HB2 ARG 97 -4.691 -9.696 5.649 776 HB3 ARG 97 HB1 ARG 97 -3.644 -9.832 7.052 777 HG2 ARG 97 HG2 ARG 97 -4.589 -7.705 7.898 778 HG3 ARG 97 HG1 ARG 97 -5.723 -7.721 6.545 779 HD2 ARG 97 HD2 ARG 97 -5.481 -9.750 8.759 780 HD3 ARG 97 HD1 ARG 97 -6.816 -8.635 8.479 781 HE ARG 97 HE ARG 97 -6.397 -10.331 6.231 782 HH11 ARG 97 HH11 ARG 97 -7.757 -10.291 9.457 783 HH12 ARG 97 HH12 ARG 97 -8.903 -11.552 9.131 784 HH21 ARG 97 HH21 ARG 97 -7.876 -12.015 5.804 785 HH22 ARG 97 HH22 ARG 97 -8.962 -12.542 7.049 786 H LYS 98 HN LYS 98 -3.213 -9.669 3.577 787 HA LYS 98 HA LYS 98 -1.170 -11.548 4.159 788 HB2 LYS 98 HB2 LYS 98 -3.200 -11.919 2.736 789 HB3 LYS 98 HB1 LYS 98 -2.442 -10.946 1.491 790 HG2 LYS 98 HG2 LYS 98 -0.615 -12.570 1.338 791 HG3 LYS 98 HG1 LYS 98 -1.374 -13.531 2.605 792 HD2 LYS 98 HD2 LYS 98 -3.352 -13.821 1.184 793 HD3 LYS 98 HD1 LYS 98 -2.566 -12.881 -0.085 794 HE2 LYS 98 HE2 LYS 98 -0.845 -14.511 -0.317 795 HE3 LYS 98 HE1 LYS 98 -1.438 -15.415 1.075 796 HZ1 LYS 98 HZ1 LYS 98 -3.427 -15.959 -0.119 797 HZ2 LYS 98 HZ2 LYS 98 -2.096 -16.395 -1.066 798 HZ3 LYS 98 HZ3 LYS 98 -2.972 -14.996 -1.431 799 H LEU 99 HN LEU 99 -1.319 -8.774 1.945 800 HA LEU 99 HA LEU 99 1.364 -8.919 1.094 801 HB2 LEU 99 HB2 LEU 99 -0.748 -6.849 1.037 802 HB3 LEU 99 HB1 LEU 99 0.898 -6.298 0.900 803 HG LEU 99 HG LEU 99 -0.795 -7.585 -1.096 804 HD11 LEU 99 HD11 LEU 99 1.817 -6.185 -1.398 805 HD12 LEU 99 HD12 LEU 99 0.313 -5.318 -1.103 806 HD13 LEU 99 HD13 LEU 99 0.500 -6.295 -2.560 807 HD21 LEU 99 HD21 LEU 99 2.098 -8.396 -1.014 808 HD22 LEU 99 HD22 LEU 99 0.872 -8.879 -2.186 809 HD23 LEU 99 HD23 LEU 99 0.780 -9.469 -0.529 810 H GLN 100 HN GLN 100 -0.136 -7.565 3.947 811 HA GLN 100 HA GLN 100 2.046 -6.095 4.923 812 HB2 GLN 100 HB2 GLN 100 -0.206 -6.022 5.944 813 HB3 GLN 100 HB1 GLN 100 -0.016 -7.685 6.480 814 HG2 GLN 100 HG2 GLN 100 0.343 -6.143 8.307 815 HG3 GLN 100 HG1 GLN 100 1.823 -7.022 7.931 816 HE21 GLN 100 HE21 GLN 100 3.560 -5.930 7.064 817 HE22 GLN 100 HE22 GLN 100 3.661 -4.203 7.057 818 H ASP 101 HN ASP 101 1.251 -9.528 5.093 819 HA ASP 101 HA ASP 101 3.296 -10.385 6.785 820 HB2 ASP 101 HB2 ASP 101 1.809 -11.742 4.553 821 HB3 ASP 101 HB1 ASP 101 3.109 -12.569 5.404 822 H VAL 102 HN VAL 102 3.301 -10.381 3.196 823 HA VAL 102 HA VAL 102 5.990 -11.173 2.968 824 HB VAL 102 HB VAL 102 4.735 -11.395 0.998 825 HG11 VAL 102 HG11 VAL 102 3.833 -9.366 -0.186 826 HG12 VAL 102 HG12 VAL 102 3.991 -8.537 1.359 827 HG13 VAL 102 HG13 VAL 102 2.949 -9.954 1.217 828 HG21 VAL 102 HG21 VAL 102 6.165 -8.981 0.077 829 HG22 VAL 102 HG22 VAL 102 6.189 -10.631 -0.560 830 HG23 VAL 102 HG23 VAL 102 7.133 -10.227 0.875 831 H PHE 103 HN PHE 103 4.603 -7.899 2.839 832 HA PHE 103 HA PHE 103 7.019 -6.539 2.500 833 HB2 PHE 103 HB2 PHE 103 5.215 -5.180 2.099 834 HB3 PHE 103 HB1 PHE 103 4.325 -5.743 3.513 835 HD1 PHE 103 HD1 PHE 103 7.579 -4.030 2.829 836 HD2 PHE 103 HD2 PHE 103 4.005 -4.110 5.170 837 HE1 PHE 103 HE1 PHE 103 8.339 -2.052 4.073 838 HE2 PHE 103 HE2 PHE 103 4.774 -2.137 6.404 839 HZ PHE 103 HZ PHE 103 6.940 -1.106 5.862 840 H GLU 104 HN GLU 104 5.421 -7.539 5.526 841 HA GLU 104 HA GLU 104 7.318 -6.132 7.145 842 HB2 GLU 104 HB2 GLU 104 6.211 -6.920 9.018 843 HB3 GLU 104 HB1 GLU 104 4.935 -6.903 7.816 844 HG2 GLU 104 HG2 GLU 104 5.116 -9.297 7.528 845 HG3 GLU 104 HG1 GLU 104 6.505 -9.346 8.612 846 H PHE 105 HN PHE 105 7.089 -9.372 5.857 847 HA PHE 105 HA PHE 105 9.254 -10.482 7.320 848 HB2 PHE 105 HB2 PHE 105 7.604 -11.880 6.168 849 HB3 PHE 105 HB1 PHE 105 8.113 -11.230 4.616 850 HD1 PHE 105 HD1 PHE 105 9.456 -13.069 7.560 851 HD2 PHE 105 HD2 PHE 105 9.668 -12.374 3.371 852 HE1 PHE 105 HE1 PHE 105 11.093 -14.893 7.344 853 HE2 PHE 105 HE2 PHE 105 11.306 -14.193 3.148 854 HZ PHE 105 HZ PHE 105 12.021 -15.455 5.134 855 H ARG 106 HN ARG 106 8.969 -8.790 4.255 856 HA ARG 106 HA ARG 106 11.633 -9.029 3.393 857 HB2 ARG 106 HB2 ARG 106 9.475 -6.985 2.868 858 HB3 ARG 106 HB1 ARG 106 11.048 -6.894 2.103 859 HG2 ARG 106 HG2 ARG 106 9.187 -9.245 1.863 860 HG3 ARG 106 HG1 ARG 106 9.304 -7.928 0.689 861 HD2 ARG 106 HD2 ARG 106 11.614 -8.461 0.272 862 HD3 ARG 106 HD1 ARG 106 11.598 -9.703 1.517 863 HE ARG 106 HE ARG 106 10.390 -9.848 -1.140 864 HH11 ARG 106 HH11 ARG 106 10.941 -11.363 1.957 865 HH12 ARG 106 HH12 ARG 106 10.694 -12.969 1.360 866 HH21 ARG 106 HH21 ARG 106 10.097 -11.951 -1.946 867 HH22 ARG 106 HH22 ARG 106 10.221 -13.311 -0.863 868 H TYR 107 HN TYR 107 9.986 -6.530 5.301 869 HA TYR 107 HA TYR 107 12.347 -4.954 5.633 870 HB2 TYR 107 HB2 TYR 107 9.967 -4.091 5.768 871 HB3 TYR 107 HB1 TYR 107 9.860 -4.846 7.357 872 HD1 TYR 107 HD1 TYR 107 11.363 -2.094 5.429 873 HD2 TYR 107 HD2 TYR 107 11.029 -3.921 9.260 874 HE1 TYR 107 HE1 TYR 107 12.344 -0.095 6.463 875 HE2 TYR 107 HE2 TYR 107 11.999 -1.918 10.300 876 HH TYR 107 HH TYR 107 12.331 1.015 8.683 877 H ALA 108 HN ALA 108 10.887 -7.591 7.399 878 HA ALA 108 HA ALA 108 12.213 -7.255 9.856 879 HB1 ALA 108 HB1 ALA 108 10.276 -8.743 9.532 880 HB2 ALA 108 HB2 ALA 108 11.630 -9.555 10.318 881 HB3 ALA 108 HB3 ALA 108 11.300 -9.843 8.609 882 H LYS 109 HN LYS 109 13.200 -8.821 6.857 883 HA LYS 109 HA LYS 109 15.640 -9.789 8.133 884 HB2 LYS 109 HB2 LYS 109 14.702 -10.081 5.275 885 HB3 LYS 109 HB1 LYS 109 16.152 -10.813 5.943 886 HG2 LYS 109 HG2 LYS 109 14.660 -12.002 7.585 887 HG3 LYS 109 HG1 LYS 109 13.292 -11.423 6.633 888 HD2 LYS 109 HD2 LYS 109 15.510 -13.261 5.752 889 HD3 LYS 109 HD1 LYS 109 13.803 -13.650 5.935 890 HE2 LYS 109 HE2 LYS 109 13.909 -13.380 3.669 891 HE3 LYS 109 HE1 LYS 109 13.522 -11.730 4.152 892 HZ1 LYS 109 HZ1 LYS 109 15.865 -11.171 4.005 893 HZ2 LYS 109 HZ2 LYS 109 15.324 -11.802 2.533 894 HZ3 LYS 109 HZ3 LYS 109 16.250 -12.760 3.576 895 H MET 110 HN MET 110 14.539 -7.096 6.375 896 HA MET 110 HA MET 110 16.965 -6.245 5.217 897 HB2 MET 110 HB2 MET 110 14.951 -5.221 4.457 898 HB3 MET 110 HB1 MET 110 14.492 -4.751 6.086 899 HG2 MET 110 HG2 MET 110 17.006 -3.649 4.946 900 HG3 MET 110 HG1 MET 110 15.469 -3.006 4.378 901 HE1 MET 110 HE1 MET 110 16.105 -0.622 5.191 902 HE2 MET 110 HE2 MET 110 17.670 -1.204 5.763 903 HE3 MET 110 HE3 MET 110 16.650 -0.227 6.823 904 HA PRO 111 HA PRO 111 18.901 -4.911 9.044 905 HB2 PRO 111 HB2 PRO 111 21.388 -4.669 8.102 906 HB3 PRO 111 HB1 PRO 111 20.653 -6.251 8.379 907 HG2 PRO 111 HG2 PRO 111 21.114 -4.799 5.826 908 HG3 PRO 111 HG1 PRO 111 21.153 -6.538 6.153 909 HD2 PRO 111 HD2 PRO 111 19.027 -5.101 5.010 910 HD3 PRO 111 HD1 PRO 111 18.957 -6.768 5.641 911 H ASP 112 HN ASP 112 19.527 -2.988 9.891 912 HA ASP 112 HA ASP 112 19.337 -0.631 8.164 913 HB2 ASP 112 HB2 ASP 112 19.161 -1.007 11.152 914 HB3 ASP 112 HB1 ASP 112 19.372 0.580 10.433 915 H1 HIS 281 HT1 HIS 281 -26.899 2.603 3.278 916 H2 HIS 281 HT2 HIS 281 -27.902 2.553 1.920 917 H3 HIS 281 HT3 HIS 281 -26.253 2.209 1.766 918 HA HIS 281 HA HIS 281 -28.152 0.626 3.380 919 HB2 HIS 281 HB2 HIS 281 -28.073 -1.072 1.613 920 HB3 HIS 281 HB1 HIS 281 -28.753 0.434 1.021 921 HD1 HIS 281 HD1 HIS 281 -26.147 -2.045 0.350 922 HD2 HIS 281 HD2 HIS 281 -26.946 1.888 -0.736 923 HE1 HIS 281 HE1 HIS 281 -24.712 -1.591 -1.662 924 HE2 HIS 281 HE2 HIS 281 -25.133 0.822 -2.241 925 H ASN 282 HN ASN 282 -25.319 1.745 3.689 926 HA ASN 282 HA ASN 282 -24.200 -0.744 4.730 927 HB2 ASN 282 HB2 ASN 282 -22.610 1.206 3.035 928 HB3 ASN 282 HB1 ASN 282 -21.938 -0.163 3.909 929 HD21 ASN 282 HD21 ASN 282 -22.242 -2.232 3.116 930 HD22 ASN 282 HD22 ASN 282 -22.813 -2.528 1.509 931 H LEU 283 HN LEU 283 -22.019 0.050 5.988 932 HA LEU 283 HA LEU 283 -22.790 2.065 7.844 933 HB2 LEU 283 HB2 LEU 283 -20.141 0.741 7.275 934 HB3 LEU 283 HB1 LEU 283 -20.318 1.983 8.496 935 HG LEU 283 HG LEU 283 -22.069 0.485 9.578 936 HD11 LEU 283 HD11 LEU 283 -20.834 -1.555 7.735 937 HD12 LEU 283 HD12 LEU 283 -22.499 -0.976 7.677 938 HD13 LEU 283 HD13 LEU 283 -21.933 -1.898 9.070 939 HD21 LEU 283 HD21 LEU 283 -19.841 0.772 10.494 940 HD22 LEU 283 HD22 LEU 283 -19.218 -0.474 9.412 941 HD23 LEU 283 HD23 LEU 283 -20.373 -0.900 10.674 942 H LEU 284 HN LEU 284 -20.655 1.931 5.083 943 HA LEU 284 HA LEU 284 -21.174 4.647 4.360 944 HB2 LEU 284 HB2 LEU 284 -19.312 4.825 6.085 945 HB3 LEU 284 HB1 LEU 284 -18.307 3.891 4.996 946 HG LEU 284 HG LEU 284 -18.500 5.685 3.306 947 HD11 LEU 284 HD11 LEU 284 -19.376 7.873 3.995 948 HD12 LEU 284 HD12 LEU 284 -19.966 7.149 5.492 949 HD13 LEU 284 HD13 LEU 284 -20.632 6.634 3.942 950 HD21 LEU 284 HD21 LEU 284 -16.604 5.621 4.831 951 HD22 LEU 284 HD22 LEU 284 -17.505 6.579 6.005 952 HD23 LEU 284 HD23 LEU 284 -17.054 7.283 4.452 953 H ARG 285 HN ARG 285 -19.660 5.038 2.269 954 HA ARG 285 HA ARG 285 -19.986 2.932 0.444 955 HB2 ARG 285 HB2 ARG 285 -18.002 5.221 0.407 956 HB3 ARG 285 HB1 ARG 285 -18.375 4.193 -0.968 957 HG2 ARG 285 HG2 ARG 285 -20.567 5.050 -1.140 958 HG3 ARG 285 HG1 ARG 285 -20.460 5.844 0.429 959 HD2 ARG 285 HD2 ARG 285 -18.748 7.335 -0.422 960 HD3 ARG 285 HD1 ARG 285 -18.807 6.529 -1.987 961 HE ARG 285 HE ARG 285 -21.153 7.339 -2.131 962 HH11 ARG 285 HH11 ARG 285 -18.883 8.963 -0.022 963 HH12 ARG 285 HH12 ARG 285 -19.672 10.501 -0.129 964 HH21 ARG 285 HH21 ARG 285 -22.197 9.366 -2.294 965 HH22 ARG 285 HH22 ARG 285 -21.564 10.732 -1.422 966 H ILE 286 HN ILE 286 -19.016 0.965 0.610 967 HA ILE 286 HA ILE 286 -16.568 0.796 2.199 968 HB ILE 286 HB ILE 286 -17.018 -1.629 2.303 969 HG12 ILE 286 HG12 ILE 286 -19.560 -0.921 0.818 970 HG13 ILE 286 HG11 ILE 286 -18.220 -1.849 0.159 971 HG21 ILE 286 HG21 ILE 286 -18.995 -1.469 3.753 972 HG22 ILE 286 HG22 ILE 286 -19.308 0.149 3.125 973 HG23 ILE 286 HG23 ILE 286 -17.841 -0.170 4.050 974 HD11 ILE 286 HD11 ILE 286 -19.956 -2.663 2.471 975 HD12 ILE 286 HD12 ILE 286 -18.616 -3.596 1.810 976 HD13 ILE 286 HD13 ILE 286 -20.049 -3.291 0.828 977 HH31 ALY 287 HH1 ALY 287 -7.112 0.870 -0.996 978 HH32 ALY 287 HH2 ALY 287 -7.203 1.407 0.684 979 HH33 ALY 287 HH3 ALY 287 -7.478 -0.289 0.285 980 HZ ALY 287 HZ1 ALY 287 -9.204 0.036 -1.955 981 HE3 ALY 287 HE2 ALY 287 -11.270 1.736 -2.013 982 HE2 ALY 287 HE1 ALY 287 -11.689 0.701 -0.655 983 HD3 ALY 287 HD2 ALY 287 -11.608 -1.256 -2.081 984 HD2 ALY 287 HD1 ALY 287 -11.099 -0.262 -3.447 985 HG3 ALY 287 HG2 ALY 287 -13.489 -0.813 -3.531 986 HG2 ALY 287 HG1 ALY 287 -13.199 0.922 -3.426 987 HB3 ALY 287 HB2 ALY 287 -13.643 0.823 -1.005 988 HB2 ALY 287 HB1 ALY 287 -14.001 -0.896 -1.159 989 HCA ALY 287 HA ALY 287 -15.488 1.278 -2.614 990 H ALY 287 HN ALY 287 -16.901 1.420 -0.823 991 H GLN 288 HN GLN 288 -16.025 0.357 -4.473 992 HA GLN 288 HA GLN 288 -17.625 -2.044 -4.409 993 HB2 GLN 288 HB2 GLN 288 -16.886 -0.180 -6.662 994 HB3 GLN 288 HB1 GLN 288 -17.965 -1.555 -6.830 995 HG2 GLN 288 HG2 GLN 288 -18.407 0.843 -5.070 996 HG3 GLN 288 HG1 GLN 288 -19.211 0.508 -6.602 997 HE21 GLN 288 HE21 GLN 288 -19.021 -0.255 -3.240 998 HE22 GLN 288 HE22 GLN 288 -20.434 -1.246 -3.169 999 H PHE 289 HN PHE 289 -15.430 -3.072 -3.648 1000 HA PHE 289 HA PHE 289 -14.002 -4.137 -5.992 1001 HB2 PHE 289 HB2 PHE 289 -13.298 -3.856 -3.101 1002 HB3 PHE 289 HB1 PHE 289 -12.593 -5.193 -3.999 1003 HD1 PHE 289 HD1 PHE 289 -13.250 -2.229 -5.933 1004 HD2 PHE 289 HD2 PHE 289 -10.400 -4.126 -3.397 1005 HE1 PHE 289 HE1 PHE 289 -11.493 -0.736 -6.787 1006 HE2 PHE 289 HE2 PHE 289 -8.649 -2.631 -4.249 1007 HZ PHE 289 HZ PHE 289 -9.190 -0.935 -5.943 1008 H LEU 290 HN LEU 290 -16.734 -4.842 -5.031 1009 HA LEU 290 HA LEU 290 -16.421 -7.557 -4.037 1010 HB2 LEU 290 HB2 LEU 290 -18.151 -6.064 -3.099 1011 HB3 LEU 290 HB1 LEU 290 -18.910 -5.973 -4.674 1012 HG LEU 290 HG LEU 290 -19.328 -8.422 -4.568 1013 HD11 LEU 290 HD11 LEU 290 -18.344 -8.129 -1.736 1014 HD12 LEU 290 HD12 LEU 290 -17.554 -9.036 -3.023 1015 HD13 LEU 290 HD13 LEU 290 -19.124 -9.557 -2.415 1016 HD21 LEU 290 HD21 LEU 290 -21.156 -8.273 -2.952 1017 HD22 LEU 290 HD22 LEU 290 -21.060 -6.825 -3.954 1018 HD23 LEU 290 HD23 LEU 290 -20.456 -6.794 -2.297 1019 H GLN 291 HN GLN 291 -18.077 -5.965 -6.772 1020 HA GLN 291 HA GLN 291 -18.530 -6.642 -8.891 1021 HB2 GLN 291 HB2 GLN 291 -16.251 -8.573 -8.403 1022 HB3 GLN 291 HB1 GLN 291 -16.974 -8.241 -9.969 1023 HG2 GLN 291 HG2 GLN 291 -15.634 -6.162 -8.258 1024 HG3 GLN 291 HG1 GLN 291 -14.829 -7.061 -9.542 1025 HE21 GLN 291 HE21 GLN 291 -17.160 -4.602 -8.794 1026 HE22 GLN 291 HE22 GLN 291 -17.315 -3.975 -10.397 1027 H SER 292 HN SER 292 -20.326 -7.506 -7.237 1028 HA SER 292 HA SER 292 -20.734 -10.363 -7.786 1029 HB2 SER 292 HB2 SER 292 -20.692 -9.606 -5.376 1030 HB3 SER 292 HB1 SER 292 -22.140 -8.663 -5.710 1031 HG SER 292 HG SER 292 -22.738 -11.009 -6.588 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 22.065 12.493 -3.765 2 H2 GLY 1 HT2 GLY 1 20.808 13.619 -3.749 3 H3 GLY 1 HT3 GLY 1 21.069 12.661 -5.118 4 HA2 GLY 1 HA1 GLY 1 20.224 11.671 -2.454 5 HA3 GLY 1 HA2 GLY 1 19.169 11.874 -3.845 6 H LYS 2 HN LYS 2 21.674 9.958 -2.396 7 HA LYS 2 HA LYS 2 21.766 8.105 -4.650 8 HB2 LYS 2 HB2 LYS 2 23.195 8.017 -1.982 9 HB3 LYS 2 HB1 LYS 2 23.500 6.956 -3.349 10 HG2 LYS 2 HG2 LYS 2 23.928 9.934 -3.355 11 HG3 LYS 2 HG1 LYS 2 25.187 8.728 -3.090 12 HD2 LYS 2 HD2 LYS 2 24.681 7.776 -5.320 13 HD3 LYS 2 HD1 LYS 2 23.517 9.077 -5.578 14 HE2 LYS 2 HE2 LYS 2 26.480 9.400 -5.112 15 HE3 LYS 2 HE1 LYS 2 25.642 9.590 -6.651 16 HZ1 LYS 2 HZ1 LYS 2 25.279 11.273 -4.232 17 HZ2 LYS 2 HZ2 LYS 2 24.393 11.434 -5.661 18 HZ3 LYS 2 HZ3 LYS 2 26.056 11.726 -5.664 19 H LEU 3 HN LEU 3 21.296 5.832 -4.353 20 HA LEU 3 HA LEU 3 19.402 5.286 -2.186 21 HB2 LEU 3 HB2 LEU 3 20.180 3.613 -4.584 22 HB3 LEU 3 HB1 LEU 3 19.065 3.109 -3.325 23 HG LEU 3 HG LEU 3 18.610 5.432 -5.194 24 HD11 LEU 3 HD11 LEU 3 17.457 2.641 -5.143 25 HD12 LEU 3 HD12 LEU 3 18.519 3.324 -6.378 26 HD13 LEU 3 HD13 LEU 3 16.888 3.961 -6.168 27 HD21 LEU 3 HD21 LEU 3 17.533 5.700 -3.003 28 HD22 LEU 3 HD22 LEU 3 16.779 4.120 -3.188 29 HD23 LEU 3 HD23 LEU 3 16.354 5.432 -4.285 30 H SER 4 HN SER 4 20.597 4.959 -0.383 31 HA SER 4 HA SER 4 22.992 3.378 -0.429 32 HB2 SER 4 HB2 SER 4 22.790 5.213 1.204 33 HB3 SER 4 HB1 SER 4 21.397 4.415 1.938 34 HG SER 4 HG SER 4 24.121 3.686 1.982 35 H GLU 5 HN GLU 5 22.915 1.628 1.603 36 HA GLU 5 HA GLU 5 21.800 -0.601 0.416 37 HB2 GLU 5 HB2 GLU 5 22.610 -0.141 3.279 38 HB3 GLU 5 HB1 GLU 5 22.132 -1.714 2.654 39 HG2 GLU 5 HG2 GLU 5 24.443 -0.047 1.689 40 HG3 GLU 5 HG1 GLU 5 24.543 -1.496 2.691 41 H GLN 6 HN GLN 6 20.368 1.483 2.868 42 HA GLN 6 HA GLN 6 18.153 -0.284 3.334 43 HB2 GLN 6 HB2 GLN 6 18.763 2.513 4.189 44 HB3 GLN 6 HB1 GLN 6 17.109 1.941 4.282 45 HG2 GLN 6 HG2 GLN 6 18.190 -0.063 5.583 46 HG3 GLN 6 HG1 GLN 6 19.484 1.116 5.864 47 HE21 GLN 6 HE21 GLN 6 17.364 -0.096 7.713 48 HE22 GLN 6 HE22 GLN 6 16.654 1.297 8.446 49 H LEU 7 HN LEU 7 18.600 2.668 1.390 50 HA LEU 7 HA LEU 7 15.893 2.678 0.492 51 HB2 LEU 7 HB2 LEU 7 18.324 4.117 -0.558 52 HB3 LEU 7 HB1 LEU 7 16.697 4.370 -1.162 53 HG LEU 7 HG LEU 7 17.545 4.864 1.682 54 HD11 LEU 7 HD11 LEU 7 18.639 6.391 0.096 55 HD12 LEU 7 HD12 LEU 7 17.473 7.220 1.127 56 HD13 LEU 7 HD13 LEU 7 17.057 6.835 -0.543 57 HD21 LEU 7 HD21 LEU 7 15.242 4.445 1.717 58 HD22 LEU 7 HD22 LEU 7 14.986 5.268 0.179 59 HD23 LEU 7 HD23 LEU 7 15.370 6.203 1.623 60 H LYS 8 HN LYS 8 18.848 1.203 -0.608 61 HA LYS 8 HA LYS 8 17.817 0.400 -3.142 62 HB2 LYS 8 HB2 LYS 8 20.225 0.464 -2.711 63 HB3 LYS 8 HB1 LYS 8 20.042 -0.770 -1.480 64 HG2 LYS 8 HG2 LYS 8 20.924 -1.681 -3.572 65 HG3 LYS 8 HG1 LYS 8 19.365 -2.389 -3.144 66 HD2 LYS 8 HD2 LYS 8 19.490 -1.874 -5.534 67 HD3 LYS 8 HD1 LYS 8 18.246 -0.915 -4.734 68 HE2 LYS 8 HE2 LYS 8 19.539 0.427 -6.317 69 HE3 LYS 8 HE1 LYS 8 19.747 1.002 -4.663 70 HZ1 LYS 8 HZ1 LYS 8 21.866 -0.156 -4.564 71 HZ2 LYS 8 HZ2 LYS 8 21.846 0.922 -5.866 72 HZ3 LYS 8 HZ3 LYS 8 21.653 -0.734 -6.140 73 H HIS 9 HN HIS 9 17.847 -0.951 0.097 74 HA HIS 9 HA HIS 9 16.658 -3.421 -0.637 75 HB2 HIS 9 HB2 HIS 9 17.802 -2.551 1.654 76 HB3 HIS 9 HB1 HIS 9 16.104 -2.357 2.069 77 HD1 HIS 9 HD1 HIS 9 18.712 -4.804 2.167 78 HD2 HIS 9 HD2 HIS 9 14.616 -4.910 1.490 79 HE1 HIS 9 HE1 HIS 9 18.020 -7.190 2.553 80 HE2 HIS 9 HE2 HIS 9 15.583 -7.261 1.938 81 H CYS 10 HN CYS 10 15.390 -0.257 0.317 82 HA CYS 10 HA CYS 10 12.691 -1.108 0.475 83 HB2 CYS 10 HB2 CYS 10 12.070 1.161 0.653 84 HB3 CYS 10 HB1 CYS 10 13.644 1.051 1.443 85 HG CYS 10 HG CYS 10 14.452 1.841 -1.519 86 H ASN 11 HN ASN 11 14.750 -0.087 -2.149 87 HA ASN 11 HA ASN 11 12.748 0.198 -4.122 88 HB2 ASN 11 HB2 ASN 11 15.115 0.961 -4.401 89 HB3 ASN 11 HB1 ASN 11 15.612 -0.727 -4.489 90 HD21 ASN 11 HD21 ASN 11 16.382 -0.676 -6.554 91 HD22 ASN 11 HD22 ASN 11 15.380 -0.430 -7.941 92 H GLY 12 HN GLY 12 14.626 -2.538 -2.946 93 HA2 GLY 12 HA2 GLY 12 13.671 -4.393 -4.904 94 HA3 GLY 12 HA1 GLY 12 14.570 -4.786 -3.444 95 H ILE 13 HN ILE 13 12.791 -3.682 -1.548 96 HA ILE 13 HA ILE 13 10.942 -5.784 -1.236 97 HB ILE 13 HB ILE 13 10.994 -3.082 0.100 98 HG12 ILE 13 HG12 ILE 13 11.951 -5.767 1.097 99 HG13 ILE 13 HG11 ILE 13 13.013 -4.533 0.445 100 HG21 ILE 13 HG21 ILE 13 8.915 -4.903 0.094 101 HG22 ILE 13 HG22 ILE 13 9.167 -3.608 1.263 102 HG23 ILE 13 HG23 ILE 13 9.765 -5.233 1.601 103 HD11 ILE 13 HD11 ILE 13 11.396 -4.473 2.964 104 HD12 ILE 13 HD12 ILE 13 12.152 -3.032 2.286 105 HD13 ILE 13 HD13 ILE 13 13.148 -4.396 2.795 106 H LEU 14 HN LEU 14 10.502 -2.392 -2.187 107 HA LEU 14 HA LEU 14 7.765 -2.424 -2.638 108 HB2 LEU 14 HB2 LEU 14 9.685 -0.551 -2.760 109 HB3 LEU 14 HB1 LEU 14 9.496 -0.868 -4.473 110 HG LEU 14 HG LEU 14 7.188 -0.181 -2.693 111 HD11 LEU 14 HD11 LEU 14 9.123 1.572 -4.156 112 HD12 LEU 14 HD12 LEU 14 8.579 1.686 -2.483 113 HD13 LEU 14 HD13 LEU 14 7.480 2.104 -3.797 114 HD21 LEU 14 HD21 LEU 14 6.740 -1.267 -4.914 115 HD22 LEU 14 HD22 LEU 14 7.542 0.115 -5.669 116 HD23 LEU 14 HD23 LEU 14 6.066 0.359 -4.741 117 H LYS 15 HN LYS 15 10.445 -3.089 -4.861 118 HA LYS 15 HA LYS 15 9.017 -3.551 -7.175 119 HB2 LYS 15 HB2 LYS 15 11.257 -3.431 -7.585 120 HB3 LYS 15 HB1 LYS 15 11.677 -4.263 -6.093 121 HG2 LYS 15 HG2 LYS 15 12.301 -5.729 -7.796 122 HG3 LYS 15 HG1 LYS 15 10.776 -6.333 -7.170 123 HD2 LYS 15 HD2 LYS 15 9.571 -5.461 -9.031 124 HD3 LYS 15 HD1 LYS 15 10.993 -4.585 -9.610 125 HE2 LYS 15 HE2 LYS 15 12.058 -6.517 -10.305 126 HE3 LYS 15 HE1 LYS 15 11.076 -7.544 -9.266 127 HZ1 LYS 15 HZ1 LYS 15 10.145 -6.129 -11.705 128 HZ2 LYS 15 HZ2 LYS 15 9.175 -7.086 -10.708 129 HZ3 LYS 15 HZ3 LYS 15 10.443 -7.789 -11.578 130 H GLU 16 HN GLU 16 9.780 -5.642 -4.500 131 HA GLU 16 HA GLU 16 8.965 -8.094 -5.621 132 HB2 GLU 16 HB2 GLU 16 10.309 -7.930 -3.554 133 HB3 GLU 16 HB1 GLU 16 8.904 -7.287 -2.708 134 HG2 GLU 16 HG2 GLU 16 9.092 -9.609 -2.181 135 HG3 GLU 16 HG1 GLU 16 7.703 -9.388 -3.231 136 H LEU 17 HN LEU 17 7.226 -5.761 -3.599 137 HA LEU 17 HA LEU 17 4.763 -7.173 -3.548 138 HB2 LEU 17 HB2 LEU 17 5.288 -4.212 -3.224 139 HB3 LEU 17 HB1 LEU 17 3.810 -5.028 -2.776 140 HG LEU 17 HG LEU 17 6.412 -5.844 -1.526 141 HD11 LEU 17 HD11 LEU 17 6.128 -3.368 -1.366 142 HD12 LEU 17 HD12 LEU 17 6.144 -4.205 0.186 143 HD13 LEU 17 HD13 LEU 17 4.617 -3.651 -0.504 144 HD21 LEU 17 HD21 LEU 17 4.419 -7.243 -1.142 145 HD22 LEU 17 HD22 LEU 17 3.560 -5.832 -0.535 146 HD23 LEU 17 HD23 LEU 17 4.959 -6.453 0.335 147 H LEU 18 HN LEU 18 6.297 -5.181 -5.891 148 HA LEU 18 HA LEU 18 3.861 -4.701 -7.417 149 HB2 LEU 18 HB2 LEU 18 6.735 -3.939 -7.859 150 HB3 LEU 18 HB1 LEU 18 5.456 -3.583 -8.996 151 HG LEU 18 HG LEU 18 5.633 -2.562 -6.168 152 HD11 LEU 18 HD11 LEU 18 7.256 -1.465 -7.450 153 HD12 LEU 18 HD12 LEU 18 5.872 -0.371 -7.402 154 HD13 LEU 18 HD13 LEU 18 6.188 -1.332 -8.848 155 HD21 LEU 18 HD21 LEU 18 3.655 -1.443 -6.474 156 HD22 LEU 18 HD22 LEU 18 3.311 -2.971 -7.270 157 HD23 LEU 18 HD23 LEU 18 3.725 -1.551 -8.228 158 H SER 19 HN SER 19 6.137 -7.121 -7.167 159 HA SER 19 HA SER 19 6.346 -7.872 -9.918 160 HB2 SER 19 HB2 SER 19 6.918 -9.476 -7.415 161 HB3 SER 19 HB1 SER 19 7.415 -9.911 -9.050 162 HG SER 19 HG SER 19 8.133 -7.407 -7.964 163 H LYS 20 HN LYS 20 5.415 -9.634 -10.955 164 HA LYS 20 HA LYS 20 2.654 -9.863 -10.671 165 HB2 LYS 20 HB2 LYS 20 4.709 -11.366 -12.247 166 HB3 LYS 20 HB1 LYS 20 3.071 -11.998 -12.160 167 HG2 LYS 20 HG2 LYS 20 3.370 -10.654 -14.160 168 HG3 LYS 20 HG1 LYS 20 2.184 -9.925 -13.081 169 HD2 LYS 20 HD2 LYS 20 3.899 -8.355 -12.283 170 HD3 LYS 20 HD1 LYS 20 5.066 -9.081 -13.389 171 HE2 LYS 20 HE2 LYS 20 3.589 -8.454 -15.284 172 HE3 LYS 20 HE1 LYS 20 2.523 -7.624 -14.147 173 HZ1 LYS 20 HZ1 LYS 20 4.422 -6.216 -13.526 174 HZ2 LYS 20 HZ2 LYS 20 3.998 -6.054 -15.151 175 HZ3 LYS 20 HZ3 LYS 20 5.360 -6.960 -14.721 176 H LYS 21 HN LYS 21 5.192 -11.697 -9.218 177 HA LYS 21 HA LYS 21 3.878 -14.009 -8.445 178 HB2 LYS 21 HB2 LYS 21 6.205 -13.858 -8.074 179 HB3 LYS 21 HB1 LYS 21 6.052 -12.383 -7.150 180 HG2 LYS 21 HG2 LYS 21 4.911 -13.666 -5.370 181 HG3 LYS 21 HG1 LYS 21 5.226 -15.136 -6.293 182 HD2 LYS 21 HD2 LYS 21 7.610 -14.737 -6.155 183 HD3 LYS 21 HD1 LYS 21 7.324 -13.216 -5.310 184 HE2 LYS 21 HE2 LYS 21 6.678 -14.241 -3.371 185 HE3 LYS 21 HE1 LYS 21 6.171 -15.710 -4.192 186 HZ1 LYS 21 HZ1 LYS 21 8.192 -16.041 -2.892 187 HZ2 LYS 21 HZ2 LYS 21 8.984 -14.848 -3.787 188 HZ3 LYS 21 HZ3 LYS 21 8.494 -16.277 -4.539 189 H HIS 22 HN HIS 22 3.610 -10.762 -7.156 190 HA HIS 22 HA HIS 22 1.776 -11.797 -5.088 191 HB2 HIS 22 HB2 HIS 22 3.304 -9.170 -5.060 192 HB3 HIS 22 HB1 HIS 22 2.271 -9.786 -3.764 193 HD1 HIS 22 HD1 HIS 22 3.196 -11.886 -2.411 194 HD2 HIS 22 HD2 HIS 22 5.882 -10.167 -5.095 195 HE1 HIS 22 HE1 HIS 22 5.447 -12.844 -1.811 196 HE2 HIS 22 HE2 HIS 22 7.073 -11.724 -3.408 197 H ALA 23 HN ALA 23 1.940 -10.106 -7.977 198 HA ALA 23 HA ALA 23 0.235 -7.970 -7.789 199 HB1 ALA 23 HB1 ALA 23 1.526 -8.573 -9.772 200 HB2 ALA 23 HB2 ALA 23 -0.161 -8.225 -10.158 201 HB3 ALA 23 HB3 ALA 23 0.404 -9.895 -10.095 202 H ALA 24 HN ALA 24 -0.622 -11.362 -7.966 203 HA ALA 24 HA ALA 24 -3.310 -11.215 -8.623 204 HB1 ALA 24 HB1 ALA 24 -1.747 -13.145 -6.941 205 HB2 ALA 24 HB2 ALA 24 -2.310 -13.333 -8.603 206 HB3 ALA 24 HB3 ALA 24 -3.466 -13.371 -7.271 207 H TYR 25 HN TYR 25 -1.736 -10.401 -5.633 208 HA TYR 25 HA TYR 25 -4.329 -9.568 -4.557 209 HB2 TYR 25 HB2 TYR 25 -3.431 -10.339 -2.250 210 HB3 TYR 25 HB1 TYR 25 -4.107 -11.543 -3.341 211 HD1 TYR 25 HD1 TYR 25 -0.893 -10.116 -2.150 212 HD2 TYR 25 HD2 TYR 25 -2.851 -13.408 -3.988 213 HE1 TYR 25 HE1 TYR 25 1.162 -11.453 -1.946 214 HE2 TYR 25 HE2 TYR 25 -0.793 -14.743 -3.808 215 HH TYR 25 HH TYR 25 1.816 -13.855 -1.868 216 H ALA 26 HN ALA 26 -1.826 -8.355 -5.777 217 HA ALA 26 HA ALA 26 -1.258 -6.435 -3.612 218 HB1 ALA 26 HB1 ALA 26 0.735 -7.695 -4.368 219 HB2 ALA 26 HB2 ALA 26 0.867 -5.965 -4.685 220 HB3 ALA 26 HB3 ALA 26 0.477 -7.071 -5.998 221 H TRP 27 HN TRP 27 -2.752 -6.833 -6.633 222 HA TRP 27 HA TRP 27 -2.191 -4.445 -7.915 223 HB2 TRP 27 HB2 TRP 27 -4.318 -4.759 -9.161 224 HB3 TRP 27 HB1 TRP 27 -3.294 -6.186 -9.127 225 HD1 TRP 27 HD1 TRP 27 -4.244 -8.346 -7.936 226 HE1 TRP 27 HE1 TRP 27 -6.587 -9.008 -7.114 227 HE3 TRP 27 HE3 TRP 27 -6.498 -3.747 -8.080 228 HZ2 TRP 27 HZ2 TRP 27 -9.061 -7.760 -6.610 229 HZ3 TRP 27 HZ3 TRP 27 -8.859 -3.579 -7.422 230 HH2 TRP 27 HH2 TRP 27 -10.112 -5.545 -6.701 231 HA PRO 28 HA PRO 28 -6.047 -2.482 -5.465 232 HB2 PRO 28 HB2 PRO 28 -5.445 -2.995 -2.746 233 HB3 PRO 28 HB1 PRO 28 -6.884 -3.503 -3.624 234 HG2 PRO 28 HG2 PRO 28 -4.482 -5.033 -2.886 235 HG3 PRO 28 HG1 PRO 28 -6.106 -5.614 -3.292 236 HD2 PRO 28 HD2 PRO 28 -3.938 -5.892 -4.936 237 HD3 PRO 28 HD1 PRO 28 -5.608 -5.819 -5.521 238 H PHE 29 HN PHE 29 -2.699 -2.944 -4.679 239 HA PHE 29 HA PHE 29 -2.604 -0.268 -3.440 240 HB2 PHE 29 HB2 PHE 29 -0.374 -2.238 -3.139 241 HB3 PHE 29 HB1 PHE 29 -0.886 -0.946 -2.050 242 HD1 PHE 29 HD1 PHE 29 -0.856 -4.401 -2.566 243 HD2 PHE 29 HD2 PHE 29 -3.326 -1.275 -1.058 244 HE1 PHE 29 HE1 PHE 29 -2.134 -6.039 -1.266 245 HE2 PHE 29 HE2 PHE 29 -4.606 -2.917 0.248 246 HZ PHE 29 HZ PHE 29 -4.008 -5.301 0.137 247 H TYR 30 HN TYR 30 -1.756 -1.943 -6.229 248 HA TYR 30 HA TYR 30 0.663 -0.778 -6.979 249 HB2 TYR 30 HB2 TYR 30 -1.724 -1.699 -8.565 250 HB3 TYR 30 HB1 TYR 30 -0.355 -0.942 -9.370 251 HD1 TYR 30 HD1 TYR 30 0.382 -2.879 -6.435 252 HD2 TYR 30 HD2 TYR 30 -0.119 -3.110 -10.641 253 HE1 TYR 30 HE1 TYR 30 1.575 -5.020 -6.446 254 HE2 TYR 30 HE2 TYR 30 1.069 -5.261 -10.669 255 HH TYR 30 HH TYR 30 1.925 -6.912 -7.718 256 H LYS 31 HN LYS 31 -2.639 0.419 -7.588 257 HA LYS 31 HA LYS 31 -1.589 3.145 -7.684 258 HB2 LYS 31 HB2 LYS 31 -3.294 1.785 -9.753 259 HB3 LYS 31 HB1 LYS 31 -3.237 3.539 -9.607 260 HG2 LYS 31 HG2 LYS 31 -0.788 3.438 -9.941 261 HG3 LYS 31 HG1 LYS 31 -0.931 1.701 -10.200 262 HD2 LYS 31 HD2 LYS 31 -2.466 2.159 -12.093 263 HD3 LYS 31 HD1 LYS 31 -2.187 3.886 -11.860 264 HE2 LYS 31 HE2 LYS 31 -0.760 3.133 -13.627 265 HE3 LYS 31 HE1 LYS 31 0.243 3.474 -12.219 266 HZ1 LYS 31 HZ1 LYS 31 0.879 1.403 -13.288 267 HZ2 LYS 31 HZ2 LYS 31 -0.677 0.784 -13.070 268 HZ3 LYS 31 HZ3 LYS 31 0.297 1.108 -11.729 269 HA PRO 32 HA PRO 32 -4.946 4.390 -5.112 270 HB2 PRO 32 HB2 PRO 32 -6.007 6.508 -6.587 271 HB3 PRO 32 HB1 PRO 32 -4.660 6.624 -5.452 272 HG2 PRO 32 HG2 PRO 32 -4.619 6.366 -8.426 273 HG3 PRO 32 HG1 PRO 32 -3.576 7.332 -7.366 274 HD2 PRO 32 HD2 PRO 32 -2.701 5.053 -8.425 275 HD3 PRO 32 HD1 PRO 32 -2.283 5.498 -6.759 276 H VAL 33 HN VAL 33 -7.131 4.136 -4.831 277 HA VAL 33 HA VAL 33 -8.451 2.434 -6.681 278 HB VAL 33 HB VAL 33 -10.011 2.064 -5.053 279 HG11 VAL 33 HG11 VAL 33 -7.835 1.668 -4.085 280 HG12 VAL 33 HG12 VAL 33 -8.999 2.156 -2.856 281 HG13 VAL 33 HG13 VAL 33 -7.805 3.311 -3.447 282 HG21 VAL 33 HG21 VAL 33 -11.284 3.927 -4.798 283 HG22 VAL 33 HG22 VAL 33 -9.891 4.981 -4.538 284 HG23 VAL 33 HG23 VAL 33 -10.452 3.924 -3.241 285 H ASP 34 HN ASP 34 -10.296 2.829 -7.906 286 HA ASP 34 HA ASP 34 -10.396 5.536 -8.954 287 HB2 ASP 34 HB2 ASP 34 -11.866 3.034 -9.844 288 HB3 ASP 34 HB1 ASP 34 -11.886 4.577 -10.683 289 H ALA 35 HN ALA 35 -11.266 6.243 -6.805 290 HA ALA 35 HA ALA 35 -13.595 5.407 -5.618 291 HB1 ALA 35 HB1 ALA 35 -12.635 6.882 -4.235 292 HB2 ALA 35 HB2 ALA 35 -13.669 8.055 -5.054 293 HB3 ALA 35 HB3 ALA 35 -11.991 7.857 -5.557 294 H SER 36 HN SER 36 -13.275 7.918 -8.103 295 HA SER 36 HA SER 36 -15.936 8.734 -8.225 296 HB2 SER 36 HB2 SER 36 -13.968 9.823 -9.352 297 HB3 SER 36 HB1 SER 36 -14.011 8.529 -10.550 298 HG SER 36 HG SER 36 -15.444 10.779 -10.475 299 H ALA 37 HN ALA 37 -14.306 5.996 -9.694 300 HA ALA 37 HA ALA 37 -16.550 5.251 -11.325 301 HB1 ALA 37 HB1 ALA 37 -13.971 3.825 -10.712 302 HB2 ALA 37 HB2 ALA 37 -14.352 4.778 -12.147 303 HB3 ALA 37 HB3 ALA 37 -15.185 3.252 -11.853 304 H LEU 38 HN LEU 38 -15.283 4.291 -8.160 305 HA LEU 38 HA LEU 38 -17.200 2.087 -8.064 306 HB2 LEU 38 HB2 LEU 38 -15.611 2.747 -5.660 307 HB3 LEU 38 HB1 LEU 38 -16.278 1.244 -6.161 308 HG LEU 38 HG LEU 38 -14.404 1.794 -8.126 309 HD11 LEU 38 HD11 LEU 38 -13.088 2.224 -5.440 310 HD12 LEU 38 HD12 LEU 38 -13.544 3.563 -6.496 311 HD13 LEU 38 HD13 LEU 38 -12.385 2.360 -7.054 312 HD21 LEU 38 HD21 LEU 38 -14.432 0.104 -5.668 313 HD22 LEU 38 HD22 LEU 38 -13.198 -0.043 -6.923 314 HD23 LEU 38 HD23 LEU 38 -14.890 -0.365 -7.304 315 H GLY 39 HN GLY 39 -17.494 5.244 -7.708 316 HA2 GLY 39 HA2 GLY 39 -19.386 6.404 -7.021 317 HA3 GLY 39 HA1 GLY 39 -19.963 4.942 -6.236 318 H LEU 40 HN LEU 40 -16.772 5.781 -5.461 319 HA LEU 40 HA LEU 40 -17.577 6.417 -2.752 320 HB2 LEU 40 HB2 LEU 40 -14.749 6.312 -3.749 321 HB3 LEU 40 HB1 LEU 40 -15.355 5.983 -2.139 322 HG LEU 40 HG LEU 40 -15.559 4.229 -4.571 323 HD11 LEU 40 HD11 LEU 40 -13.524 3.782 -3.637 324 HD12 LEU 40 HD12 LEU 40 -14.539 2.638 -2.775 325 HD13 LEU 40 HD13 LEU 40 -14.063 4.147 -2.004 326 HD21 LEU 40 HD21 LEU 40 -16.898 3.868 -1.908 327 HD22 LEU 40 HD22 LEU 40 -16.791 2.636 -3.159 328 HD23 LEU 40 HD23 LEU 40 -17.695 4.119 -3.455 329 H HIS 41 HN HIS 41 -18.437 8.488 -2.983 330 HA HIS 41 HA HIS 41 -16.852 10.582 -4.223 331 HB2 HIS 41 HB2 HIS 41 -19.462 10.845 -2.703 332 HB3 HIS 41 HB1 HIS 41 -18.742 12.035 -3.776 333 HD1 HIS 41 HD1 HIS 41 -18.935 11.625 -6.330 334 HD2 HIS 41 HD2 HIS 41 -20.904 8.769 -4.012 335 HE1 HIS 41 HE1 HIS 41 -20.429 10.368 -7.911 336 HE2 HIS 41 HE2 HIS 41 -21.475 8.552 -6.517 337 H ASP 42 HN ASP 42 -16.532 9.062 -1.433 338 HA ASP 42 HA ASP 42 -15.909 11.496 0.086 339 HB2 ASP 42 HB2 ASP 42 -17.104 8.909 1.033 340 HB3 ASP 42 HB1 ASP 42 -16.402 10.080 2.140 341 H TYR 43 HN TYR 43 -14.198 9.563 -1.621 342 HA TYR 43 HA TYR 43 -12.680 8.010 0.208 343 HB2 TYR 43 HB2 TYR 43 -12.854 7.351 -2.117 344 HB3 TYR 43 HB1 TYR 43 -12.111 8.851 -2.643 345 HD1 TYR 43 HD1 TYR 43 -11.493 5.623 -1.001 346 HD2 TYR 43 HD2 TYR 43 -9.725 9.107 -2.665 347 HE1 TYR 43 HE1 TYR 43 -9.310 4.499 -0.998 348 HE2 TYR 43 HE2 TYR 43 -7.531 8.001 -2.656 349 HH TYR 43 HH TYR 43 -7.179 4.613 -1.855 350 H HIS 44 HN HIS 44 -12.208 11.197 -1.224 351 HA HIS 44 HA HIS 44 -9.579 11.430 -0.027 352 HB2 HIS 44 HB2 HIS 44 -11.228 13.231 -1.774 353 HB3 HIS 44 HB1 HIS 44 -9.798 13.842 -0.950 354 HD1 HIS 44 HD1 HIS 44 -7.567 13.328 -1.980 355 HD2 HIS 44 HD2 HIS 44 -10.657 11.133 -3.688 356 HE1 HIS 44 HE1 HIS 44 -6.558 12.180 -3.978 357 HE2 HIS 44 HE2 HIS 44 -8.478 10.969 -5.075 358 H ASP 45 HN ASP 45 -12.569 11.608 1.220 359 HA ASP 45 HA ASP 45 -11.964 13.809 3.046 360 HB2 ASP 45 HB2 ASP 45 -14.429 12.093 2.735 361 HB3 ASP 45 HB1 ASP 45 -14.236 13.290 4.006 362 H ILE 46 HN ILE 46 -12.604 10.328 3.085 363 HA ILE 46 HA ILE 46 -12.051 10.064 5.877 364 HB ILE 46 HB ILE 46 -12.404 8.050 3.656 365 HG12 ILE 46 HG12 ILE 46 -14.267 7.299 5.165 366 HG13 ILE 46 HG11 ILE 46 -13.924 8.680 6.196 367 HG21 ILE 46 HG21 ILE 46 -11.050 6.641 4.791 368 HG22 ILE 46 HG22 ILE 46 -12.399 6.517 5.917 369 HG23 ILE 46 HG23 ILE 46 -11.081 7.638 6.243 370 HD11 ILE 46 HD11 ILE 46 -14.827 8.783 3.334 371 HD12 ILE 46 HD12 ILE 46 -14.462 10.181 4.344 372 HD13 ILE 46 HD13 ILE 46 -15.809 9.120 4.757 373 H ILE 47 HN ILE 47 -10.246 9.250 2.919 374 HA ILE 47 HA ILE 47 -7.951 8.442 4.473 375 HB ILE 47 HB ILE 47 -8.203 8.718 1.484 376 HG12 ILE 47 HG12 ILE 47 -9.855 7.147 2.543 377 HG13 ILE 47 HG11 ILE 47 -8.745 6.376 1.415 378 HG21 ILE 47 HG21 ILE 47 -6.324 7.036 1.558 379 HG22 ILE 47 HG22 ILE 47 -6.178 7.405 3.273 380 HG23 ILE 47 HG23 ILE 47 -5.916 8.668 2.073 381 HD11 ILE 47 HD11 ILE 47 -8.425 6.374 4.401 382 HD12 ILE 47 HD12 ILE 47 -7.480 5.470 3.221 383 HD13 ILE 47 HD13 ILE 47 -9.170 5.089 3.470 384 H LYS 48 HN LYS 48 -6.755 9.996 5.374 385 HA LYS 48 HA LYS 48 -6.410 12.554 4.052 386 HB2 LYS 48 HB2 LYS 48 -5.538 11.492 6.732 387 HB3 LYS 48 HB1 LYS 48 -5.086 13.081 6.139 388 HG2 LYS 48 HG2 LYS 48 -7.923 12.137 6.451 389 HG3 LYS 48 HG1 LYS 48 -7.049 13.084 7.654 390 HD2 LYS 48 HD2 LYS 48 -6.953 14.969 6.263 391 HD3 LYS 48 HD1 LYS 48 -7.319 14.025 4.820 392 HE2 LYS 48 HE2 LYS 48 -9.207 15.416 5.580 393 HE3 LYS 48 HE1 LYS 48 -9.556 13.691 5.512 394 HZ1 LYS 48 HZ1 LYS 48 -10.428 14.733 7.529 395 HZ2 LYS 48 HZ2 LYS 48 -8.867 15.198 7.974 396 HZ3 LYS 48 HZ3 LYS 48 -9.267 13.559 7.896 397 H HIS 49 HN HIS 49 -4.647 9.623 4.588 398 HA HIS 49 HA HIS 49 -2.353 10.766 3.128 399 HB2 HIS 49 HB2 HIS 49 -2.442 8.674 5.286 400 HB3 HIS 49 HB1 HIS 49 -1.084 8.782 4.173 401 HD1 HIS 49 HD1 HIS 49 0.604 10.629 4.556 402 HD2 HIS 49 HD2 HIS 49 -2.686 10.871 7.082 403 HE1 HIS 49 HE1 HIS 49 1.202 12.357 6.278 404 HE2 HIS 49 HE2 HIS 49 -0.746 12.388 7.871 405 HA PRO 50 HA PRO 50 -4.184 7.353 0.481 406 HB2 PRO 50 HB2 PRO 50 -4.400 8.808 -1.799 407 HB3 PRO 50 HB1 PRO 50 -5.695 8.707 -0.600 408 HG2 PRO 50 HG2 PRO 50 -3.665 10.865 -1.022 409 HG3 PRO 50 HG1 PRO 50 -5.402 11.003 -0.681 410 HD2 PRO 50 HD2 PRO 50 -3.506 11.322 1.242 411 HD3 PRO 50 HD1 PRO 50 -5.116 10.653 1.585 412 H MET 51 HN MET 51 -2.326 6.205 0.341 413 HA MET 51 HA MET 51 -0.329 7.179 -1.579 414 HB2 MET 51 HB2 MET 51 0.644 7.470 0.607 415 HB3 MET 51 HB1 MET 51 0.186 5.846 1.099 416 HG2 MET 51 HG2 MET 51 2.600 6.091 0.578 417 HG3 MET 51 HG1 MET 51 1.790 4.885 -0.427 418 HE1 MET 51 HE1 MET 51 2.902 8.580 -0.229 419 HE2 MET 51 HE2 MET 51 1.361 8.800 -1.046 420 HE3 MET 51 HE3 MET 51 2.872 9.116 -1.903 421 H ASP 52 HN ASP 52 0.731 5.593 -2.776 422 HA ASP 52 HA ASP 52 -0.237 2.842 -2.570 423 HB2 ASP 52 HB2 ASP 52 -0.539 2.751 -5.055 424 HB3 ASP 52 HB1 ASP 52 -1.699 3.811 -4.259 425 H LEU 53 HN LEU 53 1.128 1.372 -4.002 426 HA LEU 53 HA LEU 53 3.799 1.770 -3.193 427 HB2 LEU 53 HB2 LEU 53 2.463 -0.247 -4.947 428 HB3 LEU 53 HB1 LEU 53 4.207 -0.241 -4.759 429 HG LEU 53 HG LEU 53 2.295 -0.404 -2.438 430 HD11 LEU 53 HD11 LEU 53 2.102 -2.287 -4.047 431 HD12 LEU 53 HD12 LEU 53 2.601 -2.757 -2.427 432 HD13 LEU 53 HD13 LEU 53 3.788 -2.667 -3.731 433 HD21 LEU 53 HD21 LEU 53 4.444 0.376 -1.785 434 HD22 LEU 53 HD22 LEU 53 5.249 -0.878 -2.719 435 HD23 LEU 53 HD23 LEU 53 4.304 -1.307 -1.293 436 H SER 54 HN SER 54 2.197 2.300 -6.272 437 HA SER 54 HA SER 54 4.563 2.644 -7.796 438 HB2 SER 54 HB2 SER 54 2.581 2.224 -9.024 439 HB3 SER 54 HB1 SER 54 1.719 3.553 -8.246 440 HG SER 54 HG SER 54 3.382 3.553 -10.419 441 H THR 55 HN THR 55 2.667 4.844 -5.809 442 HA THR 55 HA THR 55 4.161 7.169 -6.609 443 HB THR 55 HB THR 55 2.466 6.925 -4.124 444 HG1 THR 55 HG1 THR 55 1.147 6.367 -5.887 445 HG21 THR 55 HG21 THR 55 4.040 8.874 -4.534 446 HG22 THR 55 HG22 THR 55 2.355 9.268 -4.203 447 HG23 THR 55 HG23 THR 55 2.970 9.324 -5.856 448 H VAL 56 HN VAL 56 4.290 4.849 -3.945 449 HA VAL 56 HA VAL 56 6.221 6.153 -2.381 450 HB VAL 56 HB VAL 56 5.843 3.178 -2.793 451 HG11 VAL 56 HG11 VAL 56 8.064 3.692 -1.892 452 HG12 VAL 56 HG12 VAL 56 7.044 2.913 -0.676 453 HG13 VAL 56 HG13 VAL 56 7.321 4.655 -0.611 454 HG21 VAL 56 HG21 VAL 56 3.876 4.433 -1.911 455 HG22 VAL 56 HG22 VAL 56 4.873 4.941 -0.550 456 HG23 VAL 56 HG23 VAL 56 4.519 3.232 -0.790 457 H LYS 57 HN LYS 57 6.551 3.845 -5.036 458 HA LYS 57 HA LYS 57 9.367 3.844 -5.125 459 HB2 LYS 57 HB2 LYS 57 7.323 2.519 -6.447 460 HB3 LYS 57 HB1 LYS 57 8.093 3.460 -7.715 461 HG2 LYS 57 HG2 LYS 57 10.256 2.470 -7.122 462 HG3 LYS 57 HG1 LYS 57 9.467 1.513 -5.881 463 HD2 LYS 57 HD2 LYS 57 8.015 0.537 -7.673 464 HD3 LYS 57 HD1 LYS 57 9.048 1.348 -8.852 465 HE2 LYS 57 HE2 LYS 57 10.077 -0.564 -6.768 466 HE3 LYS 57 HE1 LYS 57 9.617 -1.059 -8.396 467 HZ1 LYS 57 HZ1 LYS 57 11.762 0.860 -7.669 468 HZ2 LYS 57 HZ2 LYS 57 11.277 0.521 -9.253 469 HZ3 LYS 57 HZ3 LYS 57 11.968 -0.692 -8.302 470 H ARG 58 HN ARG 58 6.901 5.736 -6.736 471 HA ARG 58 HA ARG 58 8.411 7.249 -8.503 472 HB2 ARG 58 HB2 ARG 58 5.939 7.199 -8.321 473 HB3 ARG 58 HB1 ARG 58 6.050 8.145 -6.848 474 HG2 ARG 58 HG2 ARG 58 7.003 9.998 -8.085 475 HG3 ARG 58 HG1 ARG 58 6.933 9.059 -9.574 476 HD2 ARG 58 HD2 ARG 58 4.460 8.840 -9.196 477 HD3 ARG 58 HD1 ARG 58 4.631 9.999 -7.880 478 HE ARG 58 HE ARG 58 5.749 11.038 -10.262 479 HH11 ARG 58 HH11 ARG 58 2.677 10.372 -8.732 480 HH12 ARG 58 HH12 ARG 58 1.822 11.590 -9.621 481 HH21 ARG 58 HH21 ARG 58 4.619 12.622 -11.467 482 HH22 ARG 58 HH22 ARG 58 2.923 12.852 -11.195 483 H LYS 59 HN LYS 59 7.530 8.040 -5.158 484 HA LYS 59 HA LYS 59 9.095 10.420 -5.070 485 HB2 LYS 59 HB2 LYS 59 7.861 8.764 -2.857 486 HB3 LYS 59 HB1 LYS 59 8.596 10.346 -2.631 487 HG2 LYS 59 HG2 LYS 59 6.921 11.434 -3.845 488 HG3 LYS 59 HG1 LYS 59 6.355 9.932 -4.572 489 HD2 LYS 59 HD2 LYS 59 4.816 10.782 -2.840 490 HD3 LYS 59 HD1 LYS 59 5.459 9.188 -2.449 491 HE2 LYS 59 HE2 LYS 59 7.039 11.421 -1.393 492 HE3 LYS 59 HE1 LYS 59 5.396 11.329 -0.755 493 HZ1 LYS 59 HZ1 LYS 59 5.780 9.146 0.045 494 HZ2 LYS 59 HZ2 LYS 59 7.105 10.080 0.529 495 HZ3 LYS 59 HZ3 LYS 59 7.254 9.019 -0.778 496 H MET 60 HN MET 60 9.682 7.063 -4.215 497 HA MET 60 HA MET 60 12.214 7.406 -3.018 498 HB2 MET 60 HB2 MET 60 11.023 5.258 -2.933 499 HB3 MET 60 HB1 MET 60 11.185 5.089 -4.676 500 HG2 MET 60 HG2 MET 60 13.727 5.253 -4.198 501 HG3 MET 60 HG1 MET 60 13.261 4.845 -2.550 502 HE1 MET 60 HE1 MET 60 11.727 2.758 -1.998 503 HE2 MET 60 HE2 MET 60 11.390 1.439 -3.116 504 HE3 MET 60 HE3 MET 60 10.622 3.011 -3.347 505 H GLU 61 HN GLU 61 11.189 7.107 -6.396 506 HA GLU 61 HA GLU 61 13.792 7.009 -7.502 507 HB2 GLU 61 HB2 GLU 61 11.122 7.796 -8.651 508 HB3 GLU 61 HB1 GLU 61 12.591 7.818 -9.611 509 HG2 GLU 61 HG2 GLU 61 12.893 5.399 -9.039 510 HG3 GLU 61 HG1 GLU 61 11.296 5.446 -8.295 511 H ASN 62 HN ASN 62 11.742 9.633 -6.491 512 HA ASN 62 HA ASN 62 13.442 11.680 -7.611 513 HB2 ASN 62 HB2 ASN 62 11.136 11.746 -5.668 514 HB3 ASN 62 HB1 ASN 62 12.118 13.172 -5.964 515 HD21 ASN 62 HD21 ASN 62 11.315 10.825 -8.447 516 HD22 ASN 62 HD22 ASN 62 10.264 11.865 -9.341 517 H ARG 63 HN ARG 63 13.722 9.534 -5.191 518 HA ARG 63 HA ARG 63 15.085 9.210 -3.436 519 HB2 ARG 63 HB2 ARG 63 16.651 11.530 -4.563 520 HB3 ARG 63 HB1 ARG 63 17.261 10.257 -3.521 521 HG2 ARG 63 HG2 ARG 63 16.137 9.736 -6.263 522 HG3 ARG 63 HG1 ARG 63 17.845 10.061 -5.938 523 HD2 ARG 63 HD2 ARG 63 18.072 8.118 -4.612 524 HD3 ARG 63 HD1 ARG 63 16.336 7.827 -4.594 525 HE ARG 63 HE ARG 63 16.463 7.036 -6.800 526 HH11 ARG 63 HH11 ARG 63 19.590 8.159 -5.690 527 HH12 ARG 63 HH12 ARG 63 20.475 7.241 -6.865 528 HH21 ARG 63 HH21 ARG 63 17.636 5.834 -8.353 529 HH22 ARG 63 HH22 ARG 63 19.370 5.927 -8.379 530 H ASP 64 HN ASP 64 12.831 10.939 -3.101 531 HA ASP 64 HA ASP 64 13.590 13.025 -1.272 532 HB2 ASP 64 HB2 ASP 64 11.019 11.814 -2.173 533 HB3 ASP 64 HB1 ASP 64 11.029 12.681 -0.643 534 H TYR 65 HN TYR 65 13.571 9.743 -1.091 535 HA TYR 65 HA TYR 65 12.978 9.584 1.759 536 HB2 TYR 65 HB2 TYR 65 13.744 7.436 -0.239 537 HB3 TYR 65 HB1 TYR 65 13.375 7.145 1.457 538 HD1 TYR 65 HD1 TYR 65 11.571 5.622 1.020 539 HD2 TYR 65 HD2 TYR 65 11.484 9.549 -0.600 540 HE1 TYR 65 HE1 TYR 65 9.201 5.330 0.435 541 HE2 TYR 65 HE2 TYR 65 9.124 9.264 -1.177 542 HH TYR 65 HH TYR 65 7.225 6.730 0.014 543 H ARG 66 HN ARG 66 14.530 9.296 3.291 544 HA ARG 66 HA ARG 66 17.318 9.389 2.361 545 HB2 ARG 66 HB2 ARG 66 16.644 11.267 3.755 546 HB3 ARG 66 HB1 ARG 66 16.065 10.169 5.000 547 HG2 ARG 66 HG2 ARG 66 18.327 9.422 5.435 548 HG3 ARG 66 HG1 ARG 66 18.936 10.431 4.119 549 HD2 ARG 66 HD2 ARG 66 18.108 12.424 5.307 550 HD3 ARG 66 HD1 ARG 66 17.580 11.390 6.634 551 HE ARG 66 HE ARG 66 20.214 10.788 6.355 552 HH11 ARG 66 HH11 ARG 66 18.428 13.754 6.841 553 HH12 ARG 66 HH12 ARG 66 19.726 14.551 7.665 554 HH21 ARG 66 HH21 ARG 66 21.923 11.824 7.442 555 HH22 ARG 66 HH22 ARG 66 21.726 13.456 7.998 556 H ASP 67 HN ASP 67 14.991 7.511 4.123 557 HA ASP 67 HA ASP 67 16.991 5.440 4.581 558 HB2 ASP 67 HB2 ASP 67 15.264 6.620 6.779 559 HB3 ASP 67 HB1 ASP 67 16.161 5.113 6.928 560 H ALA 68 HN ALA 68 15.983 3.359 5.023 561 HA ALA 68 HA ALA 68 13.650 2.974 3.433 562 HB1 ALA 68 HB1 ALA 68 14.935 1.028 5.330 563 HB2 ALA 68 HB2 ALA 68 15.425 1.275 3.650 564 HB3 ALA 68 HB3 ALA 68 13.820 0.644 4.019 565 H GLN 69 HN GLN 69 14.170 3.816 6.652 566 HA GLN 69 HA GLN 69 11.784 2.806 7.799 567 HB2 GLN 69 HB2 GLN 69 13.768 3.675 9.090 568 HB3 GLN 69 HB1 GLN 69 13.277 5.299 8.625 569 HG2 GLN 69 HG2 GLN 69 12.432 4.941 10.793 570 HG3 GLN 69 HG1 GLN 69 11.065 4.816 9.687 571 HE21 GLN 69 HE21 GLN 69 13.194 3.096 11.808 572 HE22 GLN 69 HE22 GLN 69 12.265 1.640 11.890 573 H GLU 70 HN GLU 70 12.656 5.710 6.038 574 HA GLU 70 HA GLU 70 10.148 7.001 6.316 575 HB2 GLU 70 HB2 GLU 70 12.442 7.376 4.401 576 HB3 GLU 70 HB1 GLU 70 10.972 8.340 4.315 577 HG2 GLU 70 HG2 GLU 70 11.370 8.991 6.696 578 HG3 GLU 70 HG1 GLU 70 12.942 8.202 6.572 579 H PHE 71 HN PHE 71 11.528 4.701 4.088 580 HA PHE 71 HA PHE 71 9.369 4.636 2.260 581 HB2 PHE 71 HB2 PHE 71 11.242 3.539 1.438 582 HB3 PHE 71 HB1 PHE 71 11.591 2.749 2.969 583 HD1 PHE 71 HD1 PHE 71 9.484 2.667 -0.045 584 HD2 PHE 71 HD2 PHE 71 10.623 0.628 3.509 585 HE1 PHE 71 HE1 PHE 71 8.389 0.617 -0.869 586 HE2 PHE 71 HE2 PHE 71 9.525 -1.414 2.701 587 HZ PHE 71 HZ PHE 71 8.414 -1.425 0.503 588 H ALA 72 HN ALA 72 10.146 2.604 5.090 589 HA ALA 72 HA ALA 72 7.873 1.036 5.129 590 HB1 ALA 72 HB1 ALA 72 9.548 2.054 7.417 591 HB2 ALA 72 HB2 ALA 72 9.722 0.524 6.558 592 HB3 ALA 72 HB3 ALA 72 8.309 0.808 7.576 593 H ALA 73 HN ALA 73 8.411 4.257 6.387 594 HA ALA 73 HA ALA 73 6.025 4.690 7.725 595 HB1 ALA 73 HB1 ALA 73 7.970 6.460 6.311 596 HB2 ALA 73 HB2 ALA 73 7.621 6.329 8.037 597 HB3 ALA 73 HB3 ALA 73 6.473 7.131 6.966 598 H ASP 74 HN ASP 74 6.821 5.251 4.303 599 HA ASP 74 HA ASP 74 4.288 6.266 3.577 600 HB2 ASP 74 HB2 ASP 74 6.766 5.411 2.198 601 HB3 ASP 74 HB1 ASP 74 5.304 5.427 1.243 602 H VAL 75 HN VAL 75 5.809 3.072 3.070 603 HA VAL 75 HA VAL 75 3.615 2.037 1.613 604 HB VAL 75 HB VAL 75 5.742 1.031 1.262 605 HG11 VAL 75 HG11 VAL 75 6.848 1.402 3.333 606 HG12 VAL 75 HG12 VAL 75 6.843 -0.336 3.032 607 HG13 VAL 75 HG13 VAL 75 5.711 0.360 4.190 608 HG21 VAL 75 HG21 VAL 75 5.266 -1.375 1.675 609 HG22 VAL 75 HG22 VAL 75 3.932 -0.494 0.925 610 HG23 VAL 75 HG23 VAL 75 3.876 -0.882 2.645 611 H ARG 76 HN ARG 76 4.488 1.760 5.060 612 HA ARG 76 HA ARG 76 2.355 -0.050 5.606 613 HB2 ARG 76 HB2 ARG 76 3.228 -0.201 7.671 614 HB3 ARG 76 HB1 ARG 76 4.559 0.736 7.019 615 HG2 ARG 76 HG2 ARG 76 3.519 2.787 7.855 616 HG3 ARG 76 HG1 ARG 76 2.186 1.838 8.508 617 HD2 ARG 76 HD2 ARG 76 5.089 1.654 9.322 618 HD3 ARG 76 HD1 ARG 76 3.776 2.355 10.265 619 HE ARG 76 HE ARG 76 2.995 -0.226 9.756 620 HH11 ARG 76 HH11 ARG 76 5.717 1.304 11.339 621 HH12 ARG 76 HH12 ARG 76 6.012 -0.037 12.401 622 HH21 ARG 76 HH21 ARG 76 3.378 -1.984 11.155 623 HH22 ARG 76 HH22 ARG 76 4.678 -1.900 12.304 624 H LEU 77 HN LEU 77 2.652 3.422 5.473 625 HA LEU 77 HA LEU 77 0.210 4.112 6.704 626 HB2 LEU 77 HB2 LEU 77 2.290 5.418 5.279 627 HB3 LEU 77 HB1 LEU 77 0.776 5.862 4.520 628 HG LEU 77 HG LEU 77 1.505 6.258 7.417 629 HD11 LEU 77 HD11 LEU 77 1.187 8.108 5.089 630 HD12 LEU 77 HD12 LEU 77 2.621 7.847 6.079 631 HD13 LEU 77 HD13 LEU 77 1.210 8.658 6.761 632 HD21 LEU 77 HD21 LEU 77 -1.064 6.635 5.921 633 HD22 LEU 77 HD22 LEU 77 -0.688 7.582 7.362 634 HD23 LEU 77 HD23 LEU 77 -0.791 5.824 7.464 635 H MET 78 HN MET 78 1.046 3.053 3.472 636 HA MET 78 HA MET 78 -1.441 3.548 2.257 637 HB2 MET 78 HB2 MET 78 0.439 3.132 0.857 638 HB3 MET 78 HB1 MET 78 0.755 1.584 1.630 639 HG2 MET 78 HG2 MET 78 -1.892 1.872 0.366 640 HG3 MET 78 HG1 MET 78 -0.500 1.858 -0.726 641 HE1 MET 78 HE1 MET 78 1.605 -0.022 0.576 642 HE2 MET 78 HE2 MET 78 1.079 -0.117 -1.102 643 HE3 MET 78 HE3 MET 78 1.130 -1.575 -0.114 644 H PHE 79 HN PHE 79 -0.144 0.507 3.646 645 HA PHE 79 HA PHE 79 -2.550 -0.928 3.475 646 HB2 PHE 79 HB2 PHE 79 -0.365 -1.211 5.551 647 HB3 PHE 79 HB1 PHE 79 -1.637 -2.388 5.239 648 HD1 PHE 79 HD1 PHE 79 -1.795 -2.875 2.527 649 HD2 PHE 79 HD2 PHE 79 1.670 -1.836 4.762 650 HE1 PHE 79 HE1 PHE 79 -0.384 -3.957 0.830 651 HE2 PHE 79 HE2 PHE 79 3.088 -2.915 3.076 652 HZ PHE 79 HZ PHE 79 2.073 -3.962 1.099 653 H SER 80 HN SER 80 -1.384 1.345 5.876 654 HA SER 80 HA SER 80 -3.278 0.877 7.880 655 HB2 SER 80 HB2 SER 80 -1.218 2.209 8.206 656 HB3 SER 80 HB1 SER 80 -1.891 3.480 7.186 657 HG SER 80 HG SER 80 -2.499 2.776 9.802 658 H ASN 81 HN ASN 81 -3.332 3.210 5.156 659 HA ASN 81 HA ASN 81 -5.813 4.286 5.958 660 HB2 ASN 81 HB2 ASN 81 -5.860 5.556 3.950 661 HB3 ASN 81 HB1 ASN 81 -4.188 5.481 4.473 662 HD21 ASN 81 HD21 ASN 81 -2.704 4.790 3.085 663 HD22 ASN 81 HD22 ASN 81 -3.040 4.096 1.537 664 H CYS 82 HN CYS 82 -4.969 1.508 4.053 665 HA CYS 82 HA CYS 82 -7.460 1.080 2.792 666 HB2 CYS 82 HB2 CYS 82 -5.468 -1.017 3.716 667 HB3 CYS 82 HB1 CYS 82 -6.747 -1.251 2.533 668 HG CYS 82 HG CYS 82 -4.138 0.919 2.080 669 H TYR 83 HN TYR 83 -6.204 -0.115 5.931 670 HA TYR 83 HA TYR 83 -8.594 -1.498 6.621 671 HB2 TYR 83 HB2 TYR 83 -6.425 -0.377 8.409 672 HB3 TYR 83 HB1 TYR 83 -7.744 -1.403 8.962 673 HD1 TYR 83 HD1 TYR 83 -7.828 -3.510 6.915 674 HD2 TYR 83 HD2 TYR 83 -4.463 -1.591 8.698 675 HE1 TYR 83 HE1 TYR 83 -6.466 -5.529 6.534 676 HE2 TYR 83 HE2 TYR 83 -3.118 -3.601 8.316 677 HH TYR 83 HH TYR 83 -4.112 -6.131 6.290 678 H LYS 84 HN LYS 84 -7.627 1.794 6.743 679 HA LYS 84 HA LYS 84 -9.417 2.739 8.723 680 HB2 LYS 84 HB2 LYS 84 -7.405 3.948 7.848 681 HB3 LYS 84 HB1 LYS 84 -8.286 4.221 6.355 682 HG2 LYS 84 HG2 LYS 84 -9.942 5.528 7.540 683 HG3 LYS 84 HG1 LYS 84 -9.068 5.263 9.053 684 HD2 LYS 84 HD2 LYS 84 -7.160 6.448 8.243 685 HD3 LYS 84 HD1 LYS 84 -7.835 6.532 6.616 686 HE2 LYS 84 HE2 LYS 84 -8.067 8.661 7.739 687 HE3 LYS 84 HE1 LYS 84 -9.648 7.936 7.445 688 HZ1 LYS 84 HZ1 LYS 84 -9.509 8.874 9.660 689 HZ2 LYS 84 HZ2 LYS 84 -8.172 7.907 10.024 690 HZ3 LYS 84 HZ3 LYS 84 -9.682 7.196 9.752 691 H TYR 85 HN TYR 85 -9.589 2.554 5.188 692 HA TYR 85 HA TYR 85 -12.147 3.833 5.067 693 HB2 TYR 85 HB2 TYR 85 -10.463 3.955 3.251 694 HB3 TYR 85 HB1 TYR 85 -10.711 2.247 2.920 695 HD1 TYR 85 HD1 TYR 85 -12.376 5.528 3.078 696 HD2 TYR 85 HD2 TYR 85 -12.564 1.584 1.476 697 HE1 TYR 85 HE1 TYR 85 -14.256 6.189 1.655 698 HE2 TYR 85 HE2 TYR 85 -14.449 2.252 0.050 699 HH TYR 85 HH TYR 85 -16.197 4.005 -0.010 700 H ASN 86 HN ASN 86 -10.984 0.526 4.477 701 HA ASN 86 HA ASN 86 -13.703 -0.359 3.961 702 HB2 ASN 86 HB2 ASN 86 -11.076 -1.858 3.796 703 HB3 ASN 86 HB1 ASN 86 -12.641 -2.478 3.269 704 HD21 ASN 86 HD21 ASN 86 -10.070 -0.250 2.615 705 HD22 ASN 86 HD22 ASN 86 -10.540 0.140 0.996 706 HA PRO 87 HA PRO 87 -14.253 -2.003 8.075 707 HB2 PRO 87 HB2 PRO 87 -16.355 -3.652 7.393 708 HB3 PRO 87 HB1 PRO 87 -16.518 -1.944 7.804 709 HG2 PRO 87 HG2 PRO 87 -16.481 -3.260 5.133 710 HG3 PRO 87 HG1 PRO 87 -17.423 -1.865 5.692 711 HD2 PRO 87 HD2 PRO 87 -15.223 -1.628 4.126 712 HD3 PRO 87 HD1 PRO 87 -15.705 -0.391 5.304 713 HA PRO 88 HA PRO 88 -11.796 -5.484 8.350 714 HB2 PRO 88 HB2 PRO 88 -13.253 -7.141 10.044 715 HB3 PRO 88 HB1 PRO 88 -12.191 -5.826 10.544 716 HG2 PRO 88 HG2 PRO 88 -15.157 -5.843 10.205 717 HG3 PRO 88 HG1 PRO 88 -14.175 -5.062 11.459 718 HD2 PRO 88 HD2 PRO 88 -15.214 -3.636 9.471 719 HD3 PRO 88 HD1 PRO 88 -13.569 -3.304 10.057 720 H ASP 89 HN ASP 89 -15.084 -6.186 7.388 721 HA ASP 89 HA ASP 89 -14.144 -8.727 6.237 722 HB2 ASP 89 HB2 ASP 89 -17.024 -7.823 6.569 723 HB3 ASP 89 HB1 ASP 89 -16.462 -9.410 6.068 724 H HIS 90 HN HIS 90 -13.035 -7.418 4.620 725 HA HIS 90 HA HIS 90 -14.694 -7.068 2.277 726 HB2 HIS 90 HB2 HIS 90 -14.493 -4.826 3.715 727 HB3 HIS 90 HB1 HIS 90 -12.928 -4.741 2.930 728 HD1 HIS 90 HD1 HIS 90 -12.881 -4.444 0.354 729 HD2 HIS 90 HD2 HIS 90 -16.684 -4.198 1.996 730 HE1 HIS 90 HE1 HIS 90 -14.326 -3.454 -1.432 731 HE2 HIS 90 HE2 HIS 90 -16.639 -3.417 -0.453 732 H ASP 91 HN ASP 91 -13.441 -7.271 0.349 733 HA ASP 91 HA ASP 91 -11.292 -8.974 0.518 734 HB2 ASP 91 HB2 ASP 91 -12.158 -7.155 -1.709 735 HB3 ASP 91 HB1 ASP 91 -10.776 -8.230 -1.882 736 H VAL 92 HN VAL 92 -11.108 -5.446 0.213 737 HA VAL 92 HA VAL 92 -8.355 -5.405 -0.414 738 HB VAL 92 HB VAL 92 -9.125 -2.929 0.812 739 HG11 VAL 92 HG11 VAL 92 -7.382 -3.336 -0.915 740 HG12 VAL 92 HG12 VAL 92 -8.489 -2.024 -1.301 741 HG13 VAL 92 HG13 VAL 92 -8.672 -3.592 -2.086 742 HG21 VAL 92 HG21 VAL 92 -11.402 -3.641 0.359 743 HG22 VAL 92 HG22 VAL 92 -10.987 -3.962 -1.320 744 HG23 VAL 92 HG23 VAL 92 -10.942 -2.312 -0.697 745 H VAL 93 HN VAL 93 -9.987 -5.656 2.635 746 HA VAL 93 HA VAL 93 -7.675 -4.721 4.105 747 HB VAL 93 HB VAL 93 -8.831 -5.267 6.127 748 HG11 VAL 93 HG11 VAL 93 -10.925 -4.246 4.221 749 HG12 VAL 93 HG12 VAL 93 -9.592 -3.270 4.846 750 HG13 VAL 93 HG13 VAL 93 -10.798 -3.925 5.954 751 HG21 VAL 93 HG21 VAL 93 -10.902 -6.688 4.473 752 HG22 VAL 93 HG22 VAL 93 -10.941 -6.455 6.221 753 HG23 VAL 93 HG23 VAL 93 -9.691 -7.464 5.493 754 H ALA 94 HN ALA 94 -9.058 -7.731 3.050 755 HA ALA 94 HA ALA 94 -7.306 -9.432 4.508 756 HB1 ALA 94 HB1 ALA 94 -8.875 -10.018 1.997 757 HB2 ALA 94 HB2 ALA 94 -9.459 -10.217 3.647 758 HB3 ALA 94 HB3 ALA 94 -8.126 -11.209 3.058 759 H MET 95 HN MET 95 -7.315 -8.172 1.181 760 HA MET 95 HA MET 95 -4.898 -9.398 0.385 761 HB2 MET 95 HB2 MET 95 -6.258 -6.880 -0.601 762 HB3 MET 95 HB1 MET 95 -4.823 -7.564 -1.353 763 HG2 MET 95 HG2 MET 95 -6.114 -9.667 -1.750 764 HG3 MET 95 HG1 MET 95 -7.548 -8.837 -1.135 765 HE1 MET 95 HE1 MET 95 -8.270 -6.403 -2.208 766 HE2 MET 95 HE2 MET 95 -9.222 -7.763 -2.792 767 HE3 MET 95 HE3 MET 95 -8.650 -6.539 -3.923 768 H ALA 96 HN ALA 96 -5.618 -6.454 2.145 769 HA ALA 96 HA ALA 96 -3.005 -5.336 2.033 770 HB1 ALA 96 HB1 ALA 96 -4.798 -3.879 2.581 771 HB2 ALA 96 HB2 ALA 96 -3.778 -4.000 4.013 772 HB3 ALA 96 HB3 ALA 96 -5.297 -4.893 3.933 773 H ARG 97 HN ARG 97 -4.573 -7.693 4.089 774 HA ARG 97 HA ARG 97 -2.600 -7.560 6.161 775 HB2 ARG 97 HB2 ARG 97 -5.048 -8.344 6.360 776 HB3 ARG 97 HB1 ARG 97 -4.455 -9.883 5.741 777 HG2 ARG 97 HG2 ARG 97 -2.804 -9.911 7.606 778 HG3 ARG 97 HG1 ARG 97 -3.596 -8.472 8.249 779 HD2 ARG 97 HD2 ARG 97 -5.664 -9.691 8.532 780 HD3 ARG 97 HD1 ARG 97 -4.959 -11.122 7.778 781 HE ARG 97 HE ARG 97 -3.287 -10.587 9.856 782 HH11 ARG 97 HH11 ARG 97 -6.741 -11.111 9.605 783 HH12 ARG 97 HH12 ARG 97 -6.875 -11.791 11.195 784 HH21 ARG 97 HH21 ARG 97 -3.461 -11.466 11.940 785 HH22 ARG 97 HH22 ARG 97 -5.003 -12.011 12.520 786 H LYS 98 HN LYS 98 -3.275 -9.737 3.462 787 HA LYS 98 HA LYS 98 -1.208 -11.578 4.071 788 HB2 LYS 98 HB2 LYS 98 -3.209 -12.028 2.640 789 HB3 LYS 98 HB1 LYS 98 -2.480 -11.044 1.386 790 HG2 LYS 98 HG2 LYS 98 -0.583 -12.605 1.283 791 HG3 LYS 98 HG1 LYS 98 -1.345 -13.586 2.534 792 HD2 LYS 98 HD2 LYS 98 -3.278 -13.940 1.065 793 HD3 LYS 98 HD1 LYS 98 -2.489 -12.981 -0.187 794 HE2 LYS 98 HE2 LYS 98 -0.698 -14.559 -0.346 795 HE3 LYS 98 HE1 LYS 98 -1.336 -15.491 1.007 796 HZ1 LYS 98 HZ1 LYS 98 -1.855 -16.440 -1.202 797 HZ2 LYS 98 HZ2 LYS 98 -2.784 -15.072 -1.549 798 HZ3 LYS 98 HZ3 LYS 98 -3.231 -16.097 -0.284 799 H LEU 99 HN LEU 99 -1.376 -8.798 1.866 800 HA LEU 99 HA LEU 99 1.319 -8.925 1.035 801 HB2 LEU 99 HB2 LEU 99 -0.822 -6.893 0.939 802 HB3 LEU 99 HB1 LEU 99 0.813 -6.300 0.848 803 HG LEU 99 HG LEU 99 -0.796 -7.599 -1.201 804 HD11 LEU 99 HD11 LEU 99 1.832 -6.204 -1.425 805 HD12 LEU 99 HD12 LEU 99 0.323 -5.330 -1.171 806 HD13 LEU 99 HD13 LEU 99 0.547 -6.306 -2.624 807 HD21 LEU 99 HD21 LEU 99 2.093 -8.408 -1.038 808 HD22 LEU 99 HD22 LEU 99 0.899 -8.892 -2.242 809 HD23 LEU 99 HD23 LEU 99 0.764 -9.482 -0.587 810 H GLN 100 HN GLN 100 -0.221 -7.585 3.876 811 HA GLN 100 HA GLN 100 1.947 -6.095 4.873 812 HB2 GLN 100 HB2 GLN 100 -0.382 -6.128 5.828 813 HB3 GLN 100 HB1 GLN 100 -0.041 -7.722 6.488 814 HG2 GLN 100 HG2 GLN 100 0.207 -6.100 8.217 815 HG3 GLN 100 HG1 GLN 100 1.800 -6.734 7.807 816 HE21 GLN 100 HE21 GLN 100 -0.316 -3.984 7.668 817 HE22 GLN 100 HE22 GLN 100 0.892 -2.825 7.238 818 H ASP 101 HN ASP 101 1.136 -9.507 5.006 819 HA ASP 101 HA ASP 101 3.123 -10.427 6.737 820 HB2 ASP 101 HB2 ASP 101 1.311 -11.868 6.058 821 HB3 ASP 101 HB1 ASP 101 1.800 -11.770 4.374 822 H VAL 102 HN VAL 102 3.210 -10.383 3.149 823 HA VAL 102 HA VAL 102 5.876 -11.232 2.964 824 HB VAL 102 HB VAL 102 4.654 -11.410 0.974 825 HG11 VAL 102 HG11 VAL 102 3.760 -9.395 -0.200 826 HG12 VAL 102 HG12 VAL 102 3.984 -8.524 1.313 827 HG13 VAL 102 HG13 VAL 102 2.897 -9.912 1.242 828 HG21 VAL 102 HG21 VAL 102 6.054 -9.062 -0.036 829 HG22 VAL 102 HG22 VAL 102 6.234 -10.766 -0.470 830 HG23 VAL 102 HG23 VAL 102 7.065 -10.126 0.949 831 H PHE 103 HN PHE 103 4.579 -7.926 2.805 832 HA PHE 103 HA PHE 103 7.028 -6.615 2.550 833 HB2 PHE 103 HB2 PHE 103 5.268 -5.219 2.112 834 HB3 PHE 103 HB1 PHE 103 4.319 -5.782 3.483 835 HD1 PHE 103 HD1 PHE 103 7.581 -4.063 2.877 836 HD2 PHE 103 HD2 PHE 103 4.004 -4.219 5.207 837 HE1 PHE 103 HE1 PHE 103 8.324 -2.106 4.162 838 HE2 PHE 103 HE2 PHE 103 4.758 -2.268 6.484 839 HZ PHE 103 HZ PHE 103 6.916 -1.208 5.968 840 H GLU 104 HN GLU 104 5.358 -7.682 5.509 841 HA GLU 104 HA GLU 104 7.093 -6.260 7.249 842 HB2 GLU 104 HB2 GLU 104 6.025 -7.264 9.050 843 HB3 GLU 104 HB1 GLU 104 4.779 -7.251 7.817 844 HG2 GLU 104 HG2 GLU 104 5.115 -9.606 7.390 845 HG3 GLU 104 HG1 GLU 104 6.494 -9.638 8.489 846 H PHE 105 HN PHE 105 7.192 -9.539 5.935 847 HA PHE 105 HA PHE 105 9.452 -10.309 7.505 848 HB2 PHE 105 HB2 PHE 105 8.077 -11.503 5.121 849 HB3 PHE 105 HB1 PHE 105 9.605 -12.158 5.699 850 HD1 PHE 105 HD1 PHE 105 6.052 -11.813 6.345 851 HD2 PHE 105 HD2 PHE 105 9.755 -13.204 7.897 852 HE1 PHE 105 HE1 PHE 105 4.846 -13.124 8.030 853 HE2 PHE 105 HE2 PHE 105 8.553 -14.523 9.592 854 HZ PHE 105 HZ PHE 105 6.092 -14.484 9.658 855 H ARG 106 HN ARG 106 9.021 -8.728 4.435 856 HA ARG 106 HA ARG 106 11.682 -9.010 3.507 857 HB2 ARG 106 HB2 ARG 106 9.557 -6.938 2.933 858 HB3 ARG 106 HB1 ARG 106 11.085 -7.023 2.081 859 HG2 ARG 106 HG2 ARG 106 9.046 -9.229 2.151 860 HG3 ARG 106 HG1 ARG 106 9.217 -8.050 0.849 861 HD2 ARG 106 HD2 ARG 106 11.335 -8.880 0.243 862 HD3 ARG 106 HD1 ARG 106 11.495 -9.796 1.739 863 HE ARG 106 HE ARG 106 9.444 -11.052 0.751 864 HH11 ARG 106 HH11 ARG 106 12.164 -9.805 -1.054 865 HH12 ARG 106 HH12 ARG 106 12.132 -11.079 -2.229 866 HH21 ARG 106 HH21 ARG 106 9.394 -12.728 -0.789 867 HH22 ARG 106 HH22 ARG 106 10.549 -12.740 -2.083 868 H TYR 107 HN TYR 107 10.001 -6.430 5.266 869 HA TYR 107 HA TYR 107 12.294 -4.791 5.599 870 HB2 TYR 107 HB2 TYR 107 9.919 -4.004 5.826 871 HB3 TYR 107 HB1 TYR 107 9.832 -4.850 7.370 872 HD1 TYR 107 HD1 TYR 107 11.155 -1.922 5.618 873 HD2 TYR 107 HD2 TYR 107 11.066 -4.034 9.313 874 HE1 TYR 107 HE1 TYR 107 12.063 0.052 6.764 875 HE2 TYR 107 HE2 TYR 107 11.968 -2.061 10.466 876 HH TYR 107 HH TYR 107 11.987 0.969 9.189 877 H ALA 108 HN ALA 108 10.986 -7.480 7.397 878 HA ALA 108 HA ALA 108 12.469 -7.111 9.775 879 HB1 ALA 108 HB1 ALA 108 10.465 -8.544 9.596 880 HB2 ALA 108 HB2 ALA 108 11.840 -9.367 10.331 881 HB3 ALA 108 HB3 ALA 108 11.407 -9.699 8.654 882 H LYS 109 HN LYS 109 13.149 -8.879 6.785 883 HA LYS 109 HA LYS 109 15.623 -9.917 7.844 884 HB2 LYS 109 HB2 LYS 109 14.318 -10.079 5.138 885 HB3 LYS 109 HB1 LYS 109 15.946 -10.678 5.419 886 HG2 LYS 109 HG2 LYS 109 15.046 -12.149 7.193 887 HG3 LYS 109 HG1 LYS 109 13.423 -11.603 6.773 888 HD2 LYS 109 HD2 LYS 109 15.271 -12.825 4.743 889 HD3 LYS 109 HD1 LYS 109 14.220 -13.802 5.763 890 HE2 LYS 109 HE2 LYS 109 13.303 -11.607 3.913 891 HE3 LYS 109 HE1 LYS 109 13.225 -13.333 3.563 892 HZ1 LYS 109 HZ1 LYS 109 11.106 -12.639 4.336 893 HZ2 LYS 109 HZ2 LYS 109 11.766 -11.870 5.687 894 HZ3 LYS 109 HZ3 LYS 109 11.804 -13.557 5.573 895 H MET 110 HN MET 110 14.615 -7.047 6.368 896 HA MET 110 HA MET 110 17.077 -6.268 5.184 897 HB2 MET 110 HB2 MET 110 15.036 -5.149 4.553 898 HB3 MET 110 HB1 MET 110 14.734 -4.660 6.213 899 HG2 MET 110 HG2 MET 110 17.214 -3.739 4.837 900 HG3 MET 110 HG1 MET 110 15.679 -2.966 4.485 901 HE1 MET 110 HE1 MET 110 15.448 -0.834 5.348 902 HE2 MET 110 HE2 MET 110 15.233 -0.494 7.071 903 HE3 MET 110 HE3 MET 110 14.221 -1.704 6.278 904 HA PRO 111 HA PRO 111 19.044 -5.323 9.112 905 HB2 PRO 111 HB2 PRO 111 21.565 -5.317 8.249 906 HB3 PRO 111 HB1 PRO 111 20.646 -6.822 8.376 907 HG2 PRO 111 HG2 PRO 111 21.332 -5.222 5.962 908 HG3 PRO 111 HG1 PRO 111 21.198 -6.976 6.149 909 HD2 PRO 111 HD2 PRO 111 19.243 -5.256 5.085 910 HD3 PRO 111 HD1 PRO 111 19.005 -6.953 5.581 911 H ASP 112 HN ASP 112 20.297 -3.587 9.989 912 HA ASP 112 HA ASP 112 19.943 -1.100 8.490 913 HB2 ASP 112 HB2 ASP 112 18.917 -1.129 10.697 914 HB3 ASP 112 HB1 ASP 112 20.448 -1.592 11.434 915 H1 HIS 281 HT1 HIS 281 -18.979 9.748 11.572 916 H2 HIS 281 HT2 HIS 281 -17.903 8.444 11.570 917 H3 HIS 281 HT3 HIS 281 -19.359 8.334 12.417 918 HA HIS 281 HA HIS 281 -20.602 8.488 10.356 919 HB2 HIS 281 HB2 HIS 281 -17.840 8.437 9.120 920 HB3 HIS 281 HB1 HIS 281 -19.329 8.169 8.223 921 HD1 HIS 281 HD1 HIS 281 -17.147 10.824 9.534 922 HD2 HIS 281 HD2 HIS 281 -21.010 10.490 8.038 923 HE1 HIS 281 HE1 HIS 281 -17.881 13.174 9.023 924 HE2 HIS 281 HE2 HIS 281 -20.289 12.956 8.317 925 H ASN 282 HN ASN 282 -21.541 6.591 10.390 926 HA ASN 282 HA ASN 282 -19.910 4.218 10.931 927 HB2 ASN 282 HB2 ASN 282 -21.793 4.725 12.458 928 HB3 ASN 282 HB1 ASN 282 -22.910 4.586 11.106 929 HD21 ASN 282 HD21 ASN 282 -24.041 2.902 11.989 930 HD22 ASN 282 HD22 ASN 282 -23.387 1.310 12.152 931 H LEU 283 HN LEU 283 -22.213 5.538 8.624 932 HA LEU 283 HA LEU 283 -22.026 3.079 7.036 933 HB2 LEU 283 HB2 LEU 283 -23.974 5.367 7.012 934 HB3 LEU 283 HB1 LEU 283 -23.863 4.256 5.663 935 HG LEU 283 HG LEU 283 -25.694 3.570 7.023 936 HD11 LEU 283 HD11 LEU 283 -25.082 1.310 7.619 937 HD12 LEU 283 HD12 LEU 283 -23.374 1.742 7.604 938 HD13 LEU 283 HD13 LEU 283 -24.305 1.776 6.106 939 HD21 LEU 283 HD21 LEU 283 -25.475 3.004 9.388 940 HD22 LEU 283 HD22 LEU 283 -25.092 4.699 9.091 941 HD23 LEU 283 HD23 LEU 283 -23.793 3.537 9.361 942 H LEU 284 HN LEU 284 -19.945 3.428 6.229 943 HA LEU 284 HA LEU 284 -19.541 5.727 4.482 944 HB2 LEU 284 HB2 LEU 284 -17.735 3.471 5.345 945 HB3 LEU 284 HB1 LEU 284 -17.270 4.653 4.139 946 HG LEU 284 HG LEU 284 -17.947 5.273 7.015 947 HD11 LEU 284 HD11 LEU 284 -15.557 5.772 7.227 948 HD12 LEU 284 HD12 LEU 284 -15.301 5.207 5.576 949 HD13 LEU 284 HD13 LEU 284 -15.841 4.080 6.819 950 HD21 LEU 284 HD21 LEU 284 -17.085 7.513 6.480 951 HD22 LEU 284 HD22 LEU 284 -18.534 7.115 5.558 952 HD23 LEU 284 HD23 LEU 284 -16.951 7.039 4.786 953 H ARG 285 HN ARG 285 -18.899 5.431 2.276 954 HA ARG 285 HA ARG 285 -20.580 3.520 0.943 955 HB2 ARG 285 HB2 ARG 285 -18.555 5.445 -0.229 956 HB3 ARG 285 HB1 ARG 285 -19.757 4.549 -1.139 957 HG2 ARG 285 HG2 ARG 285 -20.592 6.726 -0.968 958 HG3 ARG 285 HG1 ARG 285 -21.499 5.802 0.228 959 HD2 ARG 285 HD2 ARG 285 -20.154 6.677 2.007 960 HD3 ARG 285 HD1 ARG 285 -19.049 7.423 0.855 961 HE ARG 285 HE ARG 285 -20.543 9.146 0.524 962 HH11 ARG 285 HH11 ARG 285 -22.010 6.666 2.534 963 HH12 ARG 285 HH12 ARG 285 -23.294 7.696 3.077 964 HH21 ARG 285 HH21 ARG 285 -22.232 10.486 1.249 965 HH22 ARG 285 HH22 ARG 285 -23.418 9.868 2.352 966 H ILE 286 HN ILE 286 -19.694 1.506 1.506 967 HA ILE 286 HA ILE 286 -17.047 0.774 1.513 968 HB ILE 286 HB ILE 286 -17.737 -1.553 1.177 969 HG12 ILE 286 HG12 ILE 286 -19.559 -1.040 -0.510 970 HG13 ILE 286 HG11 ILE 286 -19.973 -2.230 0.716 971 HG21 ILE 286 HG21 ILE 286 -19.207 -1.723 3.135 972 HG22 ILE 286 HG22 ILE 286 -19.507 0.013 3.041 973 HG23 ILE 286 HG23 ILE 286 -17.883 -0.585 3.380 974 HD11 ILE 286 HD11 ILE 286 -21.179 -0.445 1.949 975 HD12 ILE 286 HD12 ILE 286 -21.846 -0.796 0.356 976 HD13 ILE 286 HD13 ILE 286 -20.858 0.643 0.599 977 HH31 ALY 287 HH1 ALY 287 -7.079 0.809 -1.458 978 HH32 ALY 287 HH2 ALY 287 -7.007 1.682 0.072 979 HH33 ALY 287 HH3 ALY 287 -7.300 -0.057 0.063 980 HZ ALY 287 HZ1 ALY 287 -9.209 0.054 -2.198 981 HE3 ALY 287 HE2 ALY 287 -11.318 1.815 -1.925 982 HE2 ALY 287 HE1 ALY 287 -11.621 0.499 -0.791 983 HD3 ALY 287 HD2 ALY 287 -11.521 -1.117 -2.594 984 HD2 ALY 287 HD1 ALY 287 -11.122 0.159 -3.746 985 HG3 ALY 287 HG2 ALY 287 -13.504 -0.544 -3.797 986 HG2 ALY 287 HG1 ALY 287 -13.263 1.174 -3.479 987 HB3 ALY 287 HB2 ALY 287 -13.595 0.798 -1.106 988 HB2 ALY 287 HB1 ALY 287 -13.782 -0.923 -1.388 989 HCA ALY 287 HA ALY 287 -15.608 1.154 -2.559 990 H ALY 287 HN ALY 287 -15.533 0.370 0.100 991 H GLN 288 HN GLN 288 -16.148 0.146 -4.455 992 HA GLN 288 HA GLN 288 -17.538 -2.374 -4.236 993 HB2 GLN 288 HB2 GLN 288 -18.396 -0.464 -5.614 994 HB3 GLN 288 HB1 GLN 288 -17.056 -0.729 -6.722 995 HG2 GLN 288 HG2 GLN 288 -17.874 -3.006 -7.140 996 HG3 GLN 288 HG1 GLN 288 -19.242 -2.693 -6.073 997 HE21 GLN 288 HE21 GLN 288 -19.154 -3.373 -8.912 998 HE22 GLN 288 HE22 GLN 288 -20.000 -2.107 -9.729 999 H PHE 289 HN PHE 289 -15.355 -3.305 -3.574 1000 HA PHE 289 HA PHE 289 -13.914 -4.279 -5.939 1001 HB2 PHE 289 HB2 PHE 289 -13.205 -4.034 -3.050 1002 HB3 PHE 289 HB1 PHE 289 -12.491 -5.362 -3.955 1003 HD1 PHE 289 HD1 PHE 289 -13.205 -2.340 -5.812 1004 HD2 PHE 289 HD2 PHE 289 -10.285 -4.328 -3.432 1005 HE1 PHE 289 HE1 PHE 289 -11.466 -0.835 -6.685 1006 HE2 PHE 289 HE2 PHE 289 -8.551 -2.821 -4.303 1007 HZ PHE 289 HZ PHE 289 -9.139 -1.073 -5.930 1008 H LEU 290 HN LEU 290 -16.620 -5.022 -5.047 1009 HA LEU 290 HA LEU 290 -16.557 -7.670 -4.011 1010 HB2 LEU 290 HB2 LEU 290 -18.664 -6.033 -5.402 1011 HB3 LEU 290 HB1 LEU 290 -18.938 -7.714 -4.997 1012 HG LEU 290 HG LEU 290 -19.955 -6.296 -3.334 1013 HD11 LEU 290 HD11 LEU 290 -17.476 -7.585 -2.213 1014 HD12 LEU 290 HD12 LEU 290 -18.980 -8.419 -2.602 1015 HD13 LEU 290 HD13 LEU 290 -18.952 -7.199 -1.330 1016 HD21 LEU 290 HD21 LEU 290 -18.631 -4.810 -1.907 1017 HD22 LEU 290 HD22 LEU 290 -18.593 -4.303 -3.596 1018 HD23 LEU 290 HD23 LEU 290 -17.206 -5.137 -2.896 1019 H GLN 291 HN GLN 291 -16.274 -9.534 -5.023 1020 HA GLN 291 HA GLN 291 -15.764 -11.046 -6.625 1021 HB2 GLN 291 HB2 GLN 291 -17.745 -9.397 -8.203 1022 HB3 GLN 291 HB1 GLN 291 -17.135 -10.969 -8.704 1023 HG2 GLN 291 HG2 GLN 291 -18.110 -11.999 -6.732 1024 HG3 GLN 291 HG1 GLN 291 -18.684 -10.426 -6.180 1025 HE21 GLN 291 HE21 GLN 291 -20.421 -9.462 -7.211 1026 HE22 GLN 291 HE22 GLN 291 -21.464 -10.339 -8.274 1027 H SER 292 HN SER 292 -13.746 -9.519 -6.375 1028 HA SER 292 HA SER 292 -13.036 -8.359 -8.958 1029 HB2 SER 292 HB2 SER 292 -10.944 -7.682 -7.503 1030 HB3 SER 292 HB1 SER 292 -12.467 -6.810 -7.335 1031 HG SER 292 HG SER 292 -12.789 -7.681 -5.405
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